#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 3.94 -0.35 3.14 2.96 -0.61 -4.88 118.68 122.87 2pkr s LEU 1 Ca 0.00 1.22 -0.27 0.00 -0.22 0.00 0.00 54.13 54.86 2pkr s LEU 1 Cb 0.00 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.16 2pkr s LEU 1 CO 0.00 -0.98 0.99 -0.54 -1.32 0.00 0.00 176.35 174.51 2pkr s LYS 2 N 3.92 3.94 -0.04 1.98 -0.14 -1.26 -1.28 119.74 126.86 2pkr s LYS 2 Ca 0.53 0.78 0.02 0.00 -1.36 0.00 0.00 55.97 55.95 2pkr s LYS 2 Cb -0.16 -3.78 -0.03 0.00 -1.68 0.00 0.00 37.83 32.18 2pkr s LYS 2 CO 0.20 -0.94 -0.09 0.08 -0.76 0.00 0.00 175.35 173.83 2pkr s VAL 3 N 3.58 3.48 -0.05 3.17 1.01 0.71 -1.23 120.40 131.07 2pkr s VAL 3 Ca 0.41 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.80 2pkr s VAL 3 Cb -0.12 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 2pkr s VAL 3 CO 0.18 0.53 -0.23 0.00 0.00 0.00 0.00 175.10 175.58 2pkr s ALA 4 N -0.84 2.27 -0.27 5.51 0.00 -0.07 -1.17 121.76 127.19 2pkr s ALA 4 Ca 0.13 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 2pkr s ALA 4 Cb -0.11 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 2pkr s ALA 4 CO 0.03 0.46 0.08 0.42 0.00 0.00 0.00 175.76 176.75 2pkr s ILE 5 N -0.36 4.27 -0.37 0.00 1.01 -0.51 0.10 121.20 125.34 2pkr s ILE 5 Ca 0.03 -0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.25 2pkr s ILE 5 Cb -0.12 -3.06 0.02 0.00 0.01 0.00 0.00 42.46 39.31 2pkr s ILE 5 CO 0.02 0.25 0.20 0.21 0.00 0.00 0.00 174.94 175.62 2pkr s ASN 6 N 1.59 5.71 0.00 3.58 2.47 -0.50 -0.27 114.94 127.52 2pkr s ASN 6 Ca 0.05 -0.95 0.00 0.00 0.42 0.00 0.00 52.86 52.39 2pkr s ASN 6 Cb -0.16 -2.02 0.00 0.00 -1.45 0.00 0.00 41.25 37.62 2pkr s ASN 6 CO 0.04 -0.36 0.00 0.61 -3.72 0.00 0.00 177.10 173.66 2pkr n GLY 7 N 4.99 -0.41 2.61 1.21 0.00 -0.76 -1.09 105.19 111.75 2pkr n GLY 7 Ca -0.12 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 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 0.34 2.66 -1.47 1.61 7.35 -1.25 -4.10 117.46 122.60 2pkr n PHE 8 Ca 0.00 -2.77 0.00 0.00 -0.76 0.00 0.00 57.45 53.92 2pkr n PHE 8 Cb 0.00 -1.75 0.00 0.00 0.35 0.00 0.00 39.48 38.08 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 1.73 2.63 0.23 7.13 0.00 -1.26 -4.65 105.19 111.00 2pkr n GLY 9 Ca 0.53 -1.93 -0.04 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.06 -0.16 1.61 2.47 -1.93 0.33 114.38 116.64 2pkr h ARG 10 Ca 0.00 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.52 2pkr h ARG 10 Cb 0.00 0.01 0.01 0.00 -1.65 0.00 0.00 29.97 28.34 2pkr h ARG 10 CO 0.00 -0.04 -0.72 0.82 0.56 0.00 0.00 179.97 180.59 2pkr h ILE 11 N -0.06 1.30 -0.60 2.04 1.08 -1.91 -0.87 117.51 118.48 2pkr h ILE 11 Ca 0.22 -1.95 -0.00 0.00 -0.39 0.00 0.00 64.86 62.73 2pkr h ILE 11 Cb 0.40 1.93 -0.03 0.00 -3.07 0.00 0.00 36.82 36.05 2pkr h ILE 11 CO -0.50 0.62 0.36 1.23 -0.69 0.00 0.00 178.15 179.17 2pkr h GLY 12 N 0.74 0.88 1.22 5.37 0.00 -1.61 0.13 103.07 109.81 2pkr h GLY 12 Ca -0.03 -0.37 -0.25 0.00 0.00 0.00 0.00 47.33 46.68 2pkr h GLY 12 CO 0.15 0.36 -0.92 3.21 0.00 0.00 0.00 176.54 179.33 2pkr h ARG 13 N 0.82 0.73 -0.80 4.80 3.08 -0.32 -2.29 114.38 120.39 2pkr h ARG 13 Ca 0.22 -0.69 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2pkr h ARG 13 Cb -0.01 0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 2pkr h ARG 13 CO -0.04 1.28 0.51 -0.91 -1.07 0.00 0.00 179.97 179.74 2pkr h ASN 14 N 0.45 0.94 0.37 7.04 2.35 -1.02 -1.37 115.58 124.34 2pkr h ASN 14 Ca -0.09 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.60 2pkr h ASN 14 Cb 1.56 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.70 2pkr h ASN 14 CO 0.18 0.70 -0.18 0.15 -1.65 0.00 0.00 177.43 176.63 2pkr h PHE 15 N 1.10 -0.46 -0.88 1.19 3.57 -0.66 0.19 116.94 120.99 2pkr h PHE 15 Ca 0.29 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.84 2pkr h PHE 15 Cb -0.09 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 2pkr h PHE 15 CO 0.00 -0.22 0.55 1.25 -2.23 0.00 0.00 178.31 177.66 2pkr h LEU 16 N -0.60 0.87 -0.56 0.59 6.46 -1.10 0.26 115.31 121.22 2pkr h LEU 16 Ca -0.05 0.01 -0.15 0.00 -0.12 0.00 0.00 57.88 57.57 2pkr h LEU 16 Cb 0.44 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 2pkr h LEU 16 CO 0.08 0.56 -0.53 0.03 -0.62 0.00 0.00 178.44 177.96 2pkr h ARG 17 N 1.00 0.51 -0.18 1.25 3.08 -1.10 0.36 114.38 119.30 2pkr h ARG 17 Ca 0.38 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 2pkr h ARG 17 Cb 0.16 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2pkr h ARG 17 CO -0.17 0.92 0.10 0.00 -1.07 0.00 0.00 179.97 179.75 2pkr h TRP 18 N 0.19 0.94 -0.69 0.00 7.01 -0.35 -2.49 115.95 120.55 2pkr h TRP 18 Ca 0.06 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.10 2pkr h TRP 18 Cb 0.08 -0.30 -0.04 0.00 -2.10 0.00 0.00 29.16 26.80 2pkr h TRP 18 CO -0.04 0.65 0.46 1.25 -2.79 0.00 0.00 178.44 177.97 2pkr h HIS 18 N 0.95 0.77 0.00 2.65 2.76 -0.73 -1.90 115.15 119.65 2pkr h HIS 18 Ca 0.25 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 2pkr h HIS 18 Cb 0.01 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 28.72 2pkr h HIS 18 CO -0.01 0.43 0.00 0.41 -1.30 0.00 0.00 177.93 177.46 2pkr n GLY 19 N -1.45 -1.22 3.84 5.26 0.00 -0.94 -4.86 105.19 105.82 2pkr n GLY 19 Ca 0.09 -0.12 -0.32 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 -2.64 3.99 -0.03 1.61 1.81 -0.71 -5.06 118.95 117.91 2pkr s ARG 20 Ca 0.23 0.93 -0.02 0.00 -1.72 0.00 0.00 55.73 55.15 2pkr s ARG 20 Cb 0.18 -2.18 -0.04 0.00 -0.45 0.00 0.00 34.95 32.46 2pkr s ARG 20 CO 0.42 -0.18 0.10 0.15 -0.68 0.00 0.00 175.30 175.12 2pkr s LYS 21 N -3.82 3.19 -1.17 3.54 1.02 -1.26 -4.60 119.74 116.64 2pkr s LYS 21 Ca 0.59 -0.38 -0.29 0.00 0.02 0.00 0.00 55.97 55.91 2pkr s LYS 21 Cb -0.10 -2.96 0.02 0.00 -0.52 0.00 0.00 37.83 34.28 2pkr s LYS 21 CO 0.27 0.68 0.72 -0.25 -0.92 0.00 0.00 175.35 175.86 2pkr n ASP 22 N 1.39 -4.65 -4.75 2.83 8.00 -1.26 -4.91 116.55 113.19 2pkr n ASP 22 Ca -0.14 -1.18 -0.40 0.00 0.71 0.00 0.00 54.79 53.78 2pkr n ASP 22 Cb 0.53 -2.32 -0.06 0.00 -0.02 0.00 0.00 41.12 39.25 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 -3.48 7.61 0.00 -2.24 0.15 -1.26 -4.93 113.70 109.54 2pkr s SER 23 Ca 0.47 1.90 0.21 0.00 0.70 0.00 0.00 55.95 59.23 2pkr s SER 23 Cb -0.22 -2.59 0.96 0.00 -1.71 0.00 0.00 66.02 62.46 2pkr s SER 23 CO 0.93 0.15 1.66 -0.81 1.20 0.00 0.00 173.24 176.37 2pkr n PRO 24 N 1.58 1.41 -4.21 5.44 -0.04 -1.26 -4.82 135.00 133.09 2pkr n PRO 24 Ca -0.02 -0.61 -0.33 0.00 -0.04 0.00 0.00 63.50 62.50 2pkr n PRO 24 Cb 0.47 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.62 3.70 -0.28 1.53 1.43 -1.26 -1.58 118.68 120.59 2pkr s LEU 25 Ca 0.32 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 2pkr s LEU 25 Cb 0.16 -2.09 0.09 0.00 0.03 0.00 0.00 46.19 44.38 2pkr s LEU 25 CO 0.25 0.30 0.05 -0.62 0.23 0.00 0.00 176.35 176.56 2pkr s ASP 26 N -1.50 3.95 -0.49 2.29 2.15 -0.40 -4.83 116.67 117.85 2pkr s ASP 26 Ca 0.20 -1.51 -0.29 0.00 0.43 0.00 0.00 52.55 51.38 2pkr s ASP 26 Cb -0.12 -1.02 0.03 0.00 -0.30 0.00 0.00 42.92 41.52 2pkr s ASP 26 CO 0.10 -0.36 1.16 -0.69 -0.17 0.00 0.00 175.17 175.21 2pkr s VAL 27 N 1.49 4.16 -0.16 1.11 1.01 -1.26 -0.21 120.40 126.54 2pkr s VAL 27 Ca 0.05 1.17 0.16 0.00 0.00 0.00 0.00 61.98 63.36 2pkr s VAL 27 Cb -0.18 -4.61 -0.23 0.00 0.00 0.00 0.00 36.38 31.37 2pkr s VAL 27 CO -0.16 -1.05 0.41 1.33 0.00 0.00 0.00 175.10 175.63 2pkr n VAL 28 N 6.85 0.00 -3.74 2.92 0.24 -0.32 -4.85 118.33 119.43 2pkr n VAL 28 Ca 0.12 -0.32 -0.12 0.00 -2.04 0.00 0.00 64.34 61.98 2pkr n VAL 28 Cb 0.49 0.31 -0.07 0.00 -1.47 0.00 0.00 33.84 33.10 2pkr n VAL 28 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2pkr s VAL 29 N -2.96 0.08 -0.04 3.34 0.11 -1.23 -1.09 120.40 118.61 2pkr s VAL 29 Ca -0.03 -0.63 0.00 0.00 -2.93 0.00 0.00 61.98 58.38 2pkr s VAL 29 Cb 0.10 -0.91 0.03 0.00 -1.53 0.00 0.00 36.38 34.07 2pkr s VAL 29 CO 0.65 -0.35 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.43 2pkr s ILE 30 N -2.43 0.28 -0.48 7.04 1.01 0.39 -1.43 121.20 125.58 2pkr s ILE 30 Ca -0.06 0.04 -0.17 0.00 0.00 0.00 0.00 60.65 60.46 2pkr s ILE 30 Cb -0.01 -0.37 0.06 0.00 0.01 0.00 0.00 42.46 42.15 2pkr s ILE 30 CO -0.03 0.18 0.50 0.21 0.00 0.00 0.00 174.94 175.80 2pkr s ASN 31 N 1.09 6.19 -0.26 3.58 2.47 0.63 -1.24 114.94 127.41 2pkr s ASN 31 Ca -0.09 -1.01 0.01 0.00 0.42 0.00 0.00 52.86 52.19 2pkr s ASN 31 Cb -0.14 -2.24 0.07 0.00 -1.45 0.00 0.00 41.25 37.50 2pkr s ASN 31 CO -0.01 -0.74 -0.03 -0.62 -3.72 0.00 0.00 177.10 171.98 2pkr s ASP 32 N 2.47 4.04 0.29 -4.21 -1.08 0.10 -1.84 116.67 116.45 2pkr s ASP 32 Ca 0.10 -1.37 0.22 0.00 -0.52 0.00 0.00 52.55 50.98 2pkr s ASP 32 Cb -0.21 -1.24 1.07 0.00 -1.46 0.00 0.00 42.92 41.09 2pkr s ASP 32 CO 0.10 -0.27 1.68 0.35 0.52 0.00 0.00 175.17 177.55 2pkr n THR 33 N 4.61 0.95 0.55 1.71 -2.24 -1.26 -1.82 114.28 116.78 2pkr n THR 33 Ca -0.09 0.50 0.13 0.00 -2.27 0.00 0.00 64.05 62.32 2pkr n THR 33 Cb 0.43 -1.47 0.33 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 1.05 0.00 0.00 3.38 0.00 -1.93 -3.48 103.07 102.08 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 1.75 0.11 4.60 0.00 -0.76 -4.49 105.19 107.68 2pkr n GLY 36 Ca 0.05 -2.06 -0.12 0.00 0.00 0.00 0.00 46.02 43.89 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 1.30 -0.17 1.61 2.07 -1.88 -1.90 116.25 117.29 2pkr h VAL 37 Ca 0.00 -1.04 0.03 0.00 0.82 0.00 0.00 66.70 66.51 2pkr h VAL 37 Cb 0.00 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 2pkr h VAL 37 CO 0.00 0.30 -0.03 0.11 0.02 0.00 0.00 177.57 177.97 2pkr h LYS 38 N -0.05 0.02 -0.66 1.57 1.79 -1.94 0.15 116.57 117.43 2pkr h LYS 38 Ca 0.03 -0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.52 2pkr h LYS 38 Cb 0.49 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.10 2pkr h LYS 38 CO 0.02 0.01 0.42 0.37 -1.08 0.00 0.00 179.45 179.19 2pkr h GLN 39 N 0.02 0.82 -0.19 3.15 4.15 -1.78 0.86 115.11 122.13 2pkr h GLN 39 Ca 0.08 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 2pkr h GLN 39 Cb 0.11 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 2pkr h GLN 39 CO -0.16 0.54 0.07 0.00 -1.93 0.00 0.00 178.83 177.35 2pkr h ALA 40 N 1.27 0.25 -0.15 3.38 0.00 -0.84 -1.52 119.26 121.66 2pkr h ALA 40 Ca 0.26 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2pkr h ALA 40 Cb -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2pkr h ALA 40 CO -0.09 -0.14 0.08 1.03 0.00 0.00 0.00 179.25 180.13 2pkr h SER 41 N 0.15 0.18 0.27 0.00 0.87 -0.67 -2.67 113.55 111.69 2pkr h SER 41 Ca 0.06 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2pkr h SER 41 Cb 0.20 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2pkr h SER 41 CO -0.00 0.22 -0.19 -0.74 -0.53 0.00 0.00 176.83 175.58 2pkr h HIS 42 N 0.14 -0.49 0.00 2.24 6.17 -0.76 -2.11 115.15 120.33 2pkr h HIS 42 Ca 0.05 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.13 2pkr h HIS 42 Cb 0.08 0.18 0.00 0.00 2.52 0.00 0.00 27.41 30.19 2pkr h HIS 42 CO -0.04 -0.29 0.00 -0.07 0.71 0.00 0.00 177.93 178.24 2pkr h LEU 43 N -0.45 0.00 0.14 0.26 3.38 -1.35 -0.00 115.31 117.29 2pkr h LEU 43 Ca -0.02 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.65 2pkr h LEU 43 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2pkr h LEU 43 CO 0.00 0.00 -1.42 0.25 0.09 0.00 0.00 178.44 177.36 2pkr h LEU 44 N 0.00 0.47 -0.01 1.67 5.85 -1.28 -3.37 115.31 118.64 2pkr h LEU 44 Ca 0.00 -0.57 -0.02 0.00 0.84 0.00 0.00 57.88 58.13 2pkr h LEU 44 Cb 0.45 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2pkr h LEU 44 CO 0.00 1.46 -0.06 0.50 -0.34 0.00 0.00 178.44 180.00 2pkr h LYS 45 N 0.08 0.06 -5.04 1.25 1.63 -0.85 -3.41 116.57 110.29 2pkr h LYS 45 Ca -0.21 -0.05 -0.65 0.00 -0.85 0.00 0.00 60.65 58.90 2pkr h LYS 45 Cb 2.02 0.01 -0.24 0.00 -0.60 0.00 0.00 32.23 33.42 2pkr h LYS 45 CO 0.19 0.74 -0.67 0.71 -3.45 0.00 0.00 179.45 176.97 2pkr s TYR 46 N -3.45 3.02 -0.10 1.91 2.02 -0.06 -0.53 117.35 120.16 2pkr s TYR 46 Ca -0.17 -0.59 -0.01 0.00 -0.37 0.00 0.00 57.07 55.93 2pkr s TYR 46 Cb 0.00 -2.13 0.03 0.00 -0.40 0.00 0.00 41.96 39.47 2pkr s TYR 46 CO 0.70 -0.36 -0.01 0.34 -1.57 0.00 0.00 175.55 174.64 2pkr s ASP 47 N 1.31 1.94 0.65 2.29 -1.08 -1.13 -4.47 116.67 116.18 2pkr s ASP 47 Ca 0.04 -0.26 0.40 0.00 -0.52 0.00 0.00 52.55 52.21 2pkr s ASP 47 Cb -0.15 -0.56 2.15 0.00 -1.46 0.00 0.00 42.92 42.91 2pkr s ASP 47 CO 0.01 -0.20 2.21 0.28 0.52 0.00 0.00 175.17 177.99 2pkr h SER 48 N 8.28 0.00 0.00 -0.34 0.02 -1.94 0.48 113.55 120.04 2pkr h SER 48 Ca -0.21 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.49 2pkr h SER 48 Cb 1.12 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.62 2pkr h SER 48 CO 0.30 0.00 -1.93 -0.38 -1.14 0.00 0.00 176.83 173.69 2pkr n ILE 49 N -2.98 0.93 0.34 3.27 5.41 -1.26 -4.68 119.36 120.39 2pkr n ILE 49 Ca -0.03 -0.37 0.11 0.00 1.00 0.00 0.00 62.75 63.47 2pkr n ILE 49 Cb 0.16 -1.06 0.02 0.00 -0.71 0.00 0.00 39.64 38.05 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 -2.95 0.64 0.00 1.39 4.77 -1.14 -5.05 117.00 114.66 2pkr n LEU 50 Ca -0.28 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2pkr n LEU 50 Cb 0.81 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 2pkr n LEU 50 CO 0.17 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 2pkr n GLY 51 N 1.29 -2.56 3.72 -0.72 0.00 0.17 -4.88 105.19 102.20 2pkr n GLY 51 Ca 0.01 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 2pkr n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pkr s THR 52 N -0.42 3.84 0.07 2.61 2.01 -1.26 -2.84 115.64 119.65 2pkr s THR 52 Ca 0.00 1.35 -0.31 0.00 0.31 0.00 0.00 61.69 63.04 2pkr s THR 52 Cb 0.00 -3.86 -0.08 0.00 0.01 0.00 0.00 72.50 68.57 2pkr s THR 52 CO 0.00 0.12 1.61 0.12 -0.69 0.00 0.00 174.62 175.78 2pkr s PHE 53 N 0.92 2.55 -1.31 4.92 5.36 0.31 -4.90 117.98 125.83 2pkr s PHE 53 Ca 0.59 0.42 -0.14 0.00 -0.96 0.00 0.00 56.93 56.84 2pkr s PHE 53 Cb -0.31 -3.92 0.11 0.00 -0.34 0.00 0.00 43.02 38.55 2pkr s PHE 53 CO 0.30 -3.64 1.81 -3.47 -1.46 0.00 0.00 175.22 168.76 2pkr n ASP 54 N 5.38 4.79 -3.54 6.13 2.03 -1.26 -4.82 116.55 125.25 2pkr n ASP 54 Ca 0.15 -2.95 -0.09 0.00 0.52 0.00 0.00 54.79 52.42 2pkr n ASP 54 Cb 0.41 -1.63 -0.03 0.00 -0.72 0.00 0.00 41.12 39.14 2pkr n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pkr s ALA 55 N 2.55 -1.88 -0.40 -1.67 0.00 -1.26 -5.11 121.76 113.99 2pkr s ALA 55 Ca 0.47 1.30 -0.27 0.00 0.00 0.00 0.00 51.96 53.45 2pkr s ALA 55 Cb 0.06 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.11 2pkr s ALA 55 CO 0.01 -0.52 1.01 0.34 0.00 0.00 0.00 175.76 176.60 2pkr s ASP 56 N -1.87 6.69 -0.12 0.00 2.15 -1.26 -4.88 116.67 117.38 2pkr s ASP 56 Ca 0.02 0.57 0.03 0.00 0.43 0.00 0.00 52.55 53.60 2pkr s ASP 56 Cb -0.01 -2.50 0.01 0.00 -0.30 0.00 0.00 42.92 40.12 2pkr s ASP 56 CO -0.04 -1.00 -0.22 -0.69 -0.17 0.00 0.00 175.17 173.05 2pkr s VAL 57 N 3.81 2.04 0.18 1.11 1.01 -1.26 0.69 120.40 127.97 2pkr s VAL 57 Ca 0.42 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 2pkr s VAL 57 Cb -0.10 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.50 2pkr s VAL 57 CO 0.23 0.55 0.42 -0.54 0.00 0.00 0.00 175.10 175.76 2pkr s LYS 58 N 0.64 1.27 0.58 2.72 -0.14 -0.87 -5.00 119.74 118.95 2pkr s LYS 58 Ca -0.11 -0.96 -0.15 0.00 -1.36 0.00 0.00 55.97 53.38 2pkr s LYS 58 Cb -0.16 0.46 -0.04 0.00 -1.68 0.00 0.00 37.83 36.41 2pkr s LYS 58 CO 0.02 -0.51 1.03 0.95 -0.76 0.00 0.00 175.35 176.08 2pkr s THR 59 N -3.90 4.12 -0.43 2.17 -4.23 -1.26 -1.20 115.64 110.91 2pkr s THR 59 Ca 0.11 0.94 0.02 0.00 -1.18 0.00 0.00 61.69 61.59 2pkr s THR 59 Cb 0.01 -3.52 0.15 0.00 1.34 0.00 0.00 72.50 70.47 2pkr s THR 59 CO -0.03 -0.66 0.27 0.00 -0.54 0.00 0.00 174.62 173.67 2pkr s ALA 60 N -2.64 1.82 0.00 3.99 0.00 0.61 -4.72 121.76 120.82 2pkr s ALA 60 Ca 0.61 -2.47 0.00 0.00 0.00 0.00 0.00 51.96 50.10 2pkr s ALA 60 Cb -0.14 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.20 2pkr s ALA 60 CO 0.39 -2.06 0.00 0.41 0.00 0.00 0.00 175.76 174.50 2pkr n GLY 60 N 3.43 -1.22 0.42 0.00 0.00 -1.26 -3.10 105.19 103.46 2pkr n GLY 60 Ca 0.14 -1.33 0.12 0.00 0.00 0.00 0.00 46.02 44.95 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 0.25 1.60 -1.97 1.61 8.00 -1.26 -4.55 116.55 120.22 2pkr n ASP 61 Ca 0.00 -1.27 -0.01 0.00 0.71 0.00 0.00 54.79 54.21 2pkr n ASP 61 Cb 0.00 0.23 0.03 0.00 -0.02 0.00 0.00 41.12 41.36 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 -0.17 -0.06 -3.69 -2.24 3.41 -1.26 -4.83 113.62 104.79 2pkr n SER 62 Ca 0.12 -2.06 -0.05 0.00 -0.26 0.00 0.00 58.87 56.62 2pkr n SER 62 Cb 0.41 0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.43 2pkr n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pkr s ALA 63 N -0.83 -1.66 0.14 7.33 0.00 -1.18 -1.76 121.76 123.79 2pkr s ALA 63 Ca 0.17 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.45 2pkr s ALA 63 Cb 0.28 0.62 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 2pkr s ALA 63 CO -0.08 -0.95 -0.02 0.96 0.00 0.00 0.00 175.76 175.67 2pkr s ILE 64 N -3.32 0.61 0.01 0.00 -4.36 -0.30 -0.29 121.20 113.55 2pkr s ILE 64 Ca 0.10 -1.95 0.03 0.00 -0.26 0.00 0.00 60.65 58.57 2pkr s ILE 64 Cb -0.02 -1.92 -0.01 0.00 1.25 0.00 0.00 42.46 41.76 2pkr s ILE 64 CO -0.01 -0.64 -0.11 -0.94 0.24 0.00 0.00 174.94 173.48 2pkr s SER 65 N -3.10 1.24 -0.28 4.36 1.04 -0.34 0.43 113.70 117.05 2pkr s SER 65 Ca 0.19 -0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.35 2pkr s SER 65 Cb 0.06 -0.10 0.08 0.00 0.10 0.00 0.00 66.02 66.15 2pkr s SER 65 CO -0.00 0.06 -0.02 -0.69 0.98 0.00 0.00 173.24 173.57 2pkr s VAL 66 N -0.51 1.89 -1.43 5.02 1.01 -0.41 -2.06 120.40 123.91 2pkr s VAL 66 Ca 0.02 -1.72 -0.10 0.00 0.00 0.00 0.00 61.98 60.17 2pkr s VAL 66 Cb -0.05 -2.21 0.04 0.00 0.00 0.00 0.00 36.38 34.16 2pkr s VAL 66 CO 0.00 -0.30 1.06 0.47 0.00 0.00 0.00 175.10 176.34 2pkr n ASP 67 N 4.48 -5.17 0.00 3.32 8.00 0.22 -1.99 116.55 125.41 2pkr n ASP 67 Ca -0.06 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.77 2pkr n ASP 67 Cb 0.43 -4.46 0.00 0.00 -0.02 0.00 0.00 41.12 37.06 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 -1.80 3.19 3.65 0.44 0.00 -1.26 -5.00 105.19 104.40 2pkr n GLY 68 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2pkr n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pkr s LYS 69 N -0.48 4.14 0.21 1.61 2.20 -0.84 -5.00 119.74 121.58 2pkr s LYS 69 Ca 0.00 1.15 -0.30 0.00 -0.36 0.00 0.00 55.97 56.46 2pkr s LYS 69 Cb 0.00 -3.70 -0.08 0.00 -1.51 0.00 0.00 37.83 32.54 2pkr s LYS 69 CO 0.00 -0.78 0.95 0.08 -0.36 0.00 0.00 175.35 175.23 2pkr s VAL 70 N 3.43 4.19 -0.10 4.02 1.01 -1.26 -1.29 120.40 130.40 2pkr s VAL 70 Ca 0.44 2.09 0.01 0.00 0.00 0.00 0.00 61.98 64.52 2pkr s VAL 70 Cb -0.13 -4.33 0.02 0.00 0.00 0.00 0.00 36.38 31.94 2pkr s VAL 70 CO 0.12 0.45 -0.12 -0.63 0.00 0.00 0.00 175.10 174.92 2pkr s ILE 71 N -0.86 1.24 0.52 2.22 1.01 0.17 -4.92 121.20 120.58 2pkr s ILE 71 Ca 0.43 -0.48 -0.21 0.00 0.00 0.00 0.00 60.65 60.39 2pkr s ILE 71 Cb -0.25 -1.17 -0.06 0.00 0.01 0.00 0.00 42.46 40.99 2pkr s ILE 71 CO 0.31 0.39 1.16 -0.75 0.00 0.00 0.00 174.94 176.06 2pkr s LYS 72 N 1.14 3.45 -0.10 2.79 2.47 -0.25 -1.15 119.74 128.09 2pkr s LYS 72 Ca -0.05 1.72 -0.00 0.00 -1.56 0.00 0.00 55.97 56.08 2pkr s LYS 72 Cb -0.14 -2.15 0.02 0.00 -1.46 0.00 0.00 37.83 34.10 2pkr s LYS 72 CO -0.03 -0.80 -0.06 0.08 0.16 0.00 0.00 175.35 174.71 2pkr s VAL 73 N -1.65 0.84 0.44 4.02 1.01 -0.73 -0.46 120.40 123.86 2pkr s VAL 73 Ca 0.70 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.55 2pkr s VAL 73 Cb -0.27 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 2pkr s VAL 73 CO 0.31 0.33 0.07 0.68 0.00 0.00 0.00 175.10 176.50 2pkr s VAL 74 N 1.66 1.90 -0.26 2.92 -7.23 -0.37 -4.53 120.40 114.48 2pkr s VAL 74 Ca 0.03 -1.90 -0.01 0.00 -1.81 0.00 0.00 61.98 58.29 2pkr s VAL 74 Cb -0.13 -2.79 0.13 0.00 0.56 0.00 0.00 36.38 34.15 2pkr s VAL 74 CO -0.06 0.00 0.31 -0.44 -0.31 0.00 0.00 175.10 174.59 2pkr s SER 75 N -3.82 1.22 -0.21 4.85 0.01 -1.26 -0.72 113.70 113.77 2pkr s SER 75 Ca 0.31 -0.42 -0.10 0.00 1.31 0.00 0.00 55.95 57.05 2pkr s SER 75 Cb 0.06 0.65 0.08 0.00 0.21 0.00 0.00 66.02 67.02 2pkr s SER 75 CO 0.16 -0.36 0.49 -0.62 0.41 0.00 0.00 173.24 173.32 2pkr s ASP 76 N 2.41 -0.58 0.27 2.44 -1.08 -1.26 -4.96 116.67 113.91 2pkr s ASP 76 Ca 0.09 1.10 0.25 0.00 -0.52 0.00 0.00 52.55 53.48 2pkr s ASP 76 Cb -0.14 1.22 0.89 0.00 -1.46 0.00 0.00 42.92 43.42 2pkr s ASP 76 CO -0.25 -0.22 1.75 0.03 0.52 0.00 0.00 175.17 177.01 2pkr h ARG 77 N 7.52 0.00 -4.43 4.34 2.47 -1.99 -3.41 114.38 118.88 2pkr h ARG 77 Ca -0.27 0.00 -0.72 0.00 -1.26 0.00 0.00 59.98 57.73 2pkr h ARG 77 Cb 1.16 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.23 2pkr h ARG 77 CO 0.20 0.00 -0.42 1.21 0.56 0.00 0.00 179.97 181.51 2pkr s ASN 78 N -4.61 5.87 0.53 7.04 3.84 -1.26 -4.98 114.94 121.37 2pkr s ASN 78 Ca 0.07 -1.31 0.20 0.00 0.21 0.00 0.00 52.86 52.03 2pkr s ASN 78 Cb 0.10 -2.08 1.33 0.00 -0.55 0.00 0.00 41.25 40.06 2pkr s ASN 78 CO 0.52 -0.54 2.10 -0.65 -2.79 0.00 0.00 177.10 175.73 2pkr h PRO 79 N 8.55 0.00 0.00 0.43 0.11 -1.91 -2.34 132.00 136.84 2pkr h PRO 79 Ca -0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 2pkr h PRO 79 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2pkr h PRO 79 CO 0.78 0.00 -0.03 -0.39 -0.21 0.00 0.00 178.00 178.15 2pkr h VAL 80 N 0.00 0.70 -0.18 3.15 -1.51 -1.94 -0.95 116.25 115.52 2pkr h VAL 80 Ca 0.08 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 2pkr h VAL 80 Cb 0.34 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 2pkr h VAL 80 CO -0.00 0.03 0.00 0.59 -1.23 0.00 0.00 177.57 176.96 2pkr n ASN 81 N -4.04 1.78 -4.80 4.19 5.03 -0.88 -4.25 115.26 112.29 2pkr n ASN 81 Ca -0.03 -1.73 -0.34 0.00 0.87 0.00 0.00 54.58 53.34 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 -1.55 3.96 -0.19 3.41 1.43 -0.36 -4.94 118.68 120.43 2pkr s LEU 82 Ca 0.32 1.86 -0.02 0.00 -1.03 0.00 0.00 54.13 55.27 2pkr s LEU 82 Cb 0.18 -4.46 0.07 0.00 0.03 0.00 0.00 46.19 42.01 2pkr s LEU 82 CO 0.26 -0.55 2.28 -0.81 0.23 0.00 0.00 176.35 177.75 2pkr n PRO 83 N -0.62 1.62 -0.16 1.29 -0.04 -1.26 -4.50 135.00 131.33 2pkr n PRO 83 Ca 0.07 -1.07 -0.11 0.00 -0.04 0.00 0.00 63.50 62.36 2pkr n PRO 83 Cb 0.52 -1.51 -0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 1.66 1.05 0.05 0.54 -0.00 -1.91 -0.89 115.95 116.45 2pkr h TRP 84 Ca 0.19 -0.23 -0.00 0.00 -0.00 0.00 0.00 58.89 58.85 2pkr h TRP 84 Cb 0.99 -0.25 0.00 0.00 -0.00 0.00 0.00 29.16 29.89 2pkr h TRP 84 CO 0.80 1.01 -0.02 0.78 -0.00 0.00 0.00 178.44 181.00 2pkr h GLY 85 N 0.78 -0.07 0.65 1.49 0.00 -0.96 -0.23 103.07 104.74 2pkr h GLY 85 Ca 0.12 0.03 0.11 0.00 0.00 0.00 0.00 47.33 47.59 2pkr h GLY 85 CO 0.05 -0.03 0.58 -0.55 0.00 0.00 0.00 176.54 176.59 2pkr h ASP 86 N -0.51 0.77 0.63 0.19 3.32 -1.81 -0.57 116.42 118.43 2pkr h ASP 86 Ca -0.01 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2pkr h ASP 86 Cb 0.46 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2pkr h ASP 86 CO 0.01 0.43 -0.26 0.23 -1.72 0.00 0.00 179.24 177.93 2pkr n MET 87 N -4.55 0.14 -1.61 3.56 2.81 -0.34 -4.93 117.12 112.21 2pkr n MET 87 Ca 0.16 -0.06 -0.03 0.00 -1.81 0.00 0.00 57.70 55.97 2pkr n MET 87 Cb 0.35 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.36 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 1.46 0.41 3.67 3.03 0.00 -0.22 -4.96 105.19 108.57 2pkr n GLY 88 Ca 0.08 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.11 3.04 -0.11 -0.61 -1.09 -0.21 -4.78 121.20 115.32 2pkr s ILE 89 Ca 0.00 0.16 -0.22 0.00 -2.23 0.00 0.00 60.65 58.36 2pkr s ILE 89 Cb 0.00 -3.10 -0.27 0.00 -1.58 0.00 0.00 42.46 37.51 2pkr s ILE 89 CO 0.00 -0.01 0.66 0.44 -1.23 0.00 0.00 174.94 174.80 2pkr h ASP 90 N 10.01 0.24 -3.61 3.58 3.32 -1.51 -2.68 116.42 125.77 2pkr h ASP 90 Ca -0.47 -0.87 -0.38 0.00 0.02 0.00 0.00 57.03 55.33 2pkr h ASP 90 Cb 1.22 -0.08 -0.32 0.00 0.22 0.00 0.00 39.33 40.37 2pkr h ASP 90 CO 0.94 1.35 -0.76 -0.22 -1.72 0.00 0.00 179.24 178.83 2pkr s LEU 91 N -7.89 1.52 -0.17 1.55 2.96 -0.76 -1.02 118.68 114.87 2pkr s LEU 91 Ca -0.19 -0.11 -0.06 0.00 -0.22 0.00 0.00 54.13 53.55 2pkr s LEU 91 Cb 0.01 -0.37 -0.03 0.00 0.50 0.00 0.00 46.19 46.30 2pkr s LEU 91 CO 0.74 -0.02 0.02 -0.69 -1.32 0.00 0.00 176.35 175.07 2pkr s VAL 92 N 0.60 4.40 -0.56 1.68 1.01 -0.29 -0.89 120.40 126.35 2pkr s VAL 92 Ca -0.07 -0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.55 2pkr s VAL 92 Cb -0.11 -2.96 0.09 0.00 0.00 0.00 0.00 36.38 33.40 2pkr s VAL 92 CO -0.00 0.48 0.65 -0.63 0.00 0.00 0.00 175.10 175.59 2pkr s ILE 93 N 0.34 4.89 -0.63 2.22 -1.09 0.12 -0.88 121.20 126.16 2pkr s ILE 93 Ca 0.00 -0.91 -0.27 0.00 -2.23 0.00 0.00 60.65 57.24 2pkr s ILE 93 Cb -0.13 -4.40 0.02 0.00 -1.58 0.00 0.00 42.46 36.36 2pkr s ILE 93 CO 0.01 -0.99 1.39 -0.70 -1.23 0.00 0.00 174.94 173.43 2pkr s GLU 94 N 2.51 3.21 -0.16 2.79 -6.30 -0.42 -1.41 118.70 118.92 2pkr s GLU 94 Ca 0.11 0.20 0.14 0.00 -2.50 0.00 0.00 54.97 52.92 2pkr s GLU 94 Cb -0.23 -4.16 0.40 0.00 0.00 0.00 0.00 34.13 30.13 2pkr s GLU 94 CO 0.07 -2.08 1.20 0.41 0.02 0.00 0.00 175.26 174.89 2pkr n GLY 95 N 5.33 4.20 0.11 -1.50 0.00 -0.25 -0.79 105.19 112.30 2pkr n GLY 95 Ca 0.09 -1.17 0.02 0.00 0.00 0.00 0.00 46.02 44.96 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 2.22 0.62 0.00 2.61 1.35 -1.81 -3.44 112.91 114.46 2pkr h THR 96 Ca -0.04 -2.02 0.00 0.00 -0.55 0.00 0.00 66.41 63.80 2pkr h THR 96 Cb 1.18 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 2pkr h THR 96 CO 0.02 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 2pkr n GLY 97 N 1.31 0.62 0.00 5.82 0.00 -1.26 -4.87 105.19 106.81 2pkr n GLY 97 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.75 0.00 -3.17 1.61 0.24 -1.26 -4.78 118.33 108.22 2pkr n VAL 98 Ca 0.00 -0.40 -0.28 0.00 -2.04 0.00 0.00 64.34 61.62 2pkr n VAL 98 Cb 0.00 0.91 -0.06 0.00 -1.47 0.00 0.00 33.84 33.22 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 -1.11 3.82 1.01 6.34 3.72 -1.26 -4.85 117.46 125.13 2pkr n PHE 99 Ca 0.00 -4.03 0.11 0.00 -0.05 0.00 0.00 57.45 53.48 2pkr n PHE 99 Cb 0.01 -0.55 -0.01 0.00 -0.94 0.00 0.00 39.48 37.98 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 0.32 0.00 -3.22 -4.37 0.24 -1.26 -3.45 118.33 106.58 2pkr n VAL 100 Ca 0.31 -0.21 -0.20 0.00 -2.04 0.00 0.00 64.34 62.20 2pkr n VAL 100 Cb 0.40 1.19 0.02 0.00 -1.47 0.00 0.00 33.84 33.98 2pkr n VAL 100 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2pkr s ASP 101 N -2.57 5.21 0.20 -1.34 -4.77 -1.26 -0.87 116.67 111.27 2pkr s ASP 101 Ca 0.17 -0.75 -0.09 0.00 -3.30 0.00 0.00 52.55 48.58 2pkr s ASP 101 Cb 0.18 -0.13 0.12 0.00 -1.09 0.00 0.00 42.92 42.00 2pkr s ASP 101 CO 0.62 -1.01 1.74 0.03 0.70 0.00 0.00 175.17 177.25 2pkr h ARG 102 N 0.54 1.12 -0.51 2.11 3.08 -1.93 0.17 114.38 118.96 2pkr h ARG 102 Ca -0.36 -0.24 -0.11 0.00 0.07 0.00 0.00 59.98 59.34 2pkr h ARG 102 Cb 1.28 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 2pkr h ARG 102 CO 0.47 0.96 -0.12 -0.44 -1.07 0.00 0.00 179.97 179.77 2pkr h ASP 103 N 1.07 0.95 0.15 7.04 3.32 -1.96 0.18 116.42 127.17 2pkr h ASP 103 Ca 0.24 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2pkr h ASP 103 Cb 0.29 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2pkr h ASP 103 CO -0.01 1.08 -0.07 1.23 -1.72 0.00 0.00 179.24 179.75 2pkr h GLY 104 N 0.95 -0.20 1.30 2.75 0.00 -1.86 -3.20 103.07 102.80 2pkr h GLY 104 Ca 0.13 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 2pkr h GLY 104 CO 0.05 -0.07 0.24 0.00 0.00 0.00 0.00 176.54 176.75 2pkr h ALA 105 N -0.25 1.27 -0.17 3.60 0.00 -0.98 -2.53 119.26 120.19 2pkr h ALA 105 Ca -0.02 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.78 2pkr h ALA 105 Cb 0.53 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2pkr h ALA 105 CO 0.03 0.54 0.23 0.78 0.00 0.00 0.00 179.25 180.84 2pkr h GLY 106 N 0.99 0.00 1.48 0.00 0.00 -0.71 -1.76 103.07 103.08 2pkr h GLY 106 Ca 0.21 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.61 2pkr h GLY 106 CO -0.02 0.00 0.19 0.50 0.00 0.00 0.00 176.54 177.21 2pkr h LYS 107 N 0.00 0.00 0.00 4.80 1.57 -1.44 0.34 116.57 121.84 2pkr h LYS 107 Ca 0.08 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 2pkr h LYS 107 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2pkr h LYS 107 CO -0.00 0.00 -0.45 0.45 -0.57 0.00 0.00 179.45 178.88 2pkr h HIS 108 N 0.00 0.00 -0.14 -1.35 3.86 -1.51 -1.07 115.15 114.93 2pkr h HIS 108 Ca 0.11 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.10 2pkr h HIS 108 Cb 0.49 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.98 2pkr h HIS 108 CO 0.00 0.45 -0.80 -0.07 0.86 0.00 0.00 177.93 178.38 2pkr h LEU 109 N 0.00 0.94 -0.51 2.43 3.38 -0.52 0.09 115.31 121.12 2pkr h LEU 109 Ca -0.00 -0.63 0.10 0.00 0.09 0.00 0.00 57.88 57.44 2pkr h LEU 109 Cb 0.81 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.20 2pkr h LEU 109 CO 0.06 1.43 -0.01 -0.61 0.09 0.00 0.00 178.44 179.40 2pkr h GLN 110 N 0.53 0.11 0.00 1.13 4.15 -0.65 0.11 115.11 120.49 2pkr h GLN 110 Ca -0.06 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.36 2pkr h GLN 110 Cb 1.43 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.09 2pkr h GLN 110 CO 0.16 0.07 0.00 0.00 -1.93 0.00 0.00 178.83 177.13 2pkr n ALA 111 N -2.69 1.52 0.00 3.38 0.00 -0.46 -4.86 120.51 117.39 2pkr n ALA 111 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2pkr n ALA 111 Cb 0.28 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2pkr n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pkr n GLY 112 N -0.38 0.95 3.77 0.00 0.00 0.40 -0.61 105.19 109.32 2pkr n GLY 112 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2pkr n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pkr s ALA 113 N -2.00 2.65 -0.06 4.61 0.00 0.00 -3.82 121.76 123.14 2pkr s ALA 113 Ca 0.00 0.81 0.14 0.00 0.00 0.00 0.00 51.96 52.90 2pkr s ALA 113 Cb 0.00 -3.36 -0.15 0.00 0.00 0.00 0.00 23.12 19.60 2pkr s ALA 113 CO 0.00 -0.87 0.92 0.87 0.00 0.00 0.00 175.76 176.68 2pkr h LYS 114 N 1.02 0.00 -2.70 0.00 1.57 -1.43 -3.38 116.57 111.64 2pkr h LYS 114 Ca -0.50 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.20 2pkr h LYS 114 Cb 1.26 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.39 2pkr h LYS 114 CO 0.56 0.49 -0.07 0.21 -0.57 0.00 0.00 179.45 180.08 2pkr s LYS 115 N -2.79 0.87 -0.04 3.15 2.20 -0.19 -4.87 119.74 118.08 2pkr s LYS 115 Ca -0.02 -0.10 0.05 0.00 -0.36 0.00 0.00 55.97 55.54 2pkr s LYS 115 Cb 0.08 0.40 -0.00 0.00 -1.51 0.00 0.00 37.83 36.80 2pkr s LYS 115 CO 0.81 -0.27 -0.18 0.08 -0.36 0.00 0.00 175.35 175.43 2pkr s VAL 116 N -1.63 1.51 -0.28 4.02 1.01 0.11 -1.14 120.40 124.00 2pkr s VAL 116 Ca -0.10 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.14 2pkr s VAL 116 Cb -0.02 -1.29 0.07 0.00 0.00 0.00 0.00 36.38 35.14 2pkr s VAL 116 CO 0.04 0.43 -0.05 -0.22 0.00 0.00 0.00 175.10 175.30 2pkr s LEU 117 N 0.00 3.50 -0.02 3.92 0.20 -0.06 -0.95 118.68 125.28 2pkr s LEU 117 Ca -0.04 -1.54 -0.30 0.00 0.69 0.00 0.00 54.13 52.95 2pkr s LEU 117 Cb -0.12 -1.45 -0.03 0.00 -0.43 0.00 0.00 46.19 44.16 2pkr s LEU 117 CO 0.02 -0.26 0.98 -0.63 -0.29 0.00 0.00 176.35 176.18 2pkr s ILE 118 N 1.14 4.85 -0.20 6.68 1.01 0.14 -1.30 121.20 133.52 2pkr s ILE 118 Ca -0.03 2.06 -0.03 0.00 0.00 0.00 0.00 60.65 62.64 2pkr s ILE 118 Cb -0.19 -4.32 -0.02 0.00 0.01 0.00 0.00 42.46 37.93 2pkr s ILE 118 CO -0.07 0.13 2.77 0.35 0.00 0.00 0.00 174.94 178.12 2pkr n THR 119 N 4.02 2.89 -3.71 2.92 -2.24 0.03 -1.84 114.28 116.35 2pkr n THR 119 Ca 0.06 -1.82 -0.00 0.00 -2.27 0.00 0.00 64.05 60.02 2pkr n THR 119 Cb 0.51 -1.66 -0.00 0.00 -2.10 0.00 0.00 70.33 67.08 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 -0.58 -2.05 0.39 6.98 0.00 -1.23 -4.92 121.76 120.36 2pkr s ALA 120 Ca 0.46 0.40 -0.27 0.00 0.00 0.00 0.00 51.96 52.55 2pkr s ALA 120 Cb 0.27 0.51 -0.10 0.00 0.00 0.00 0.00 23.12 23.80 2pkr s ALA 120 CO -0.07 -1.06 1.44 -2.14 0.00 0.00 0.00 175.76 173.93 2pkr s PRO 121 N -2.60 4.02 0.31 0.00 0.02 -1.25 -3.86 135.00 131.64 2pkr s PRO 121 Ca 0.16 2.47 -0.09 0.00 0.02 0.00 0.00 61.00 63.56 2pkr s PRO 121 Cb 0.02 -2.89 -0.07 0.00 0.02 0.00 0.00 34.50 31.59 2pkr s PRO 121 CO -0.01 -0.57 0.63 0.20 -0.33 0.00 0.00 177.00 176.92 2pkr s GLY 122 N -0.31 2.07 -0.14 0.52 0.00 -1.26 -4.92 107.32 103.28 2pkr s GLY 122 Ca 0.55 -0.30 -0.08 0.00 0.00 0.00 0.00 44.72 44.89 2pkr s GLY 122 CO 0.60 -0.15 0.13 0.54 0.00 0.00 0.00 173.10 174.22 2pkr s LYS 122 N -3.33 3.64 1.92 2.90 -0.14 -0.05 -4.86 119.74 119.81 2pkr s LYS 122 Ca 0.48 -0.17 0.00 0.00 -1.36 0.00 0.00 55.97 54.92 2pkr s LYS 122 Cb -0.11 -3.24 0.00 0.00 -1.68 0.00 0.00 37.83 32.81 2pkr s LYS 122 CO 0.26 0.63 0.00 0.41 -0.76 0.00 0.00 175.35 175.89 2pkr n GLY 123 N 2.44 -0.70 2.87 -3.33 0.00 -1.26 -4.13 105.19 101.09 2pkr n GLY 123 Ca -0.19 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 0.50 4.39 -4.12 1.61 2.03 -1.26 -4.91 116.55 114.78 2pkr n ASP 124 Ca 0.00 -2.94 -0.32 0.00 0.52 0.00 0.00 54.79 52.06 2pkr n ASP 124 Cb 0.00 -1.61 -0.16 0.00 -0.72 0.00 0.00 41.12 38.63 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 2.36 1.94 -0.04 5.18 1.01 -1.26 -5.01 121.20 125.39 2pkr s ILE 125 Ca 0.45 -0.89 -0.36 0.00 0.00 0.00 0.00 60.65 59.86 2pkr s ILE 125 Cb 0.11 -1.74 -0.14 0.00 0.01 0.00 0.00 42.46 40.70 2pkr s ILE 125 CO -0.04 0.52 1.68 -2.65 0.00 0.00 0.00 174.94 174.45 2pkr n PRO 126 N 4.37 1.75 -4.66 2.79 -0.02 -1.25 -4.72 135.00 133.25 2pkr n PRO 126 Ca -0.20 0.64 -0.33 0.00 -2.02 0.00 0.00 63.50 61.59 2pkr n PRO 126 Cb 0.51 -2.39 -0.12 0.00 -0.02 0.00 0.00 33.50 31.47 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 2.55 3.52 0.01 3.45 2.01 -1.26 -0.14 115.64 125.77 2pkr s THR 127 Ca 0.89 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 62.37 2pkr s THR 127 Cb -0.82 -2.45 -0.01 0.00 0.01 0.00 0.00 72.50 69.23 2pkr s THR 127 CO 0.51 0.57 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.66 2pkr s TYR 128 N -0.46 0.30 -0.12 4.92 2.02 -0.48 -4.79 117.35 118.74 2pkr s TYR 128 Ca 0.06 -0.15 -0.00 0.00 -0.37 0.00 0.00 57.07 56.61 2pkr s TYR 128 Cb -0.12 -0.19 0.02 0.00 -0.40 0.00 0.00 41.96 41.27 2pkr s TYR 128 CO 0.02 -0.03 -0.09 0.08 -1.57 0.00 0.00 175.55 173.96 2pkr s VAL 129 N -0.37 1.11 0.18 0.71 1.01 -1.26 -4.22 120.40 117.56 2pkr s VAL 129 Ca -0.02 -0.34 -0.32 0.00 0.00 0.00 0.00 61.98 61.30 2pkr s VAL 129 Cb -0.03 -1.11 -0.11 0.00 0.00 0.00 0.00 36.38 35.13 2pkr s VAL 129 CO -0.00 0.38 1.66 -0.69 0.00 0.00 0.00 175.10 176.45 2pkr s VAL 130 N 1.67 2.33 0.00 2.92 1.01 -1.26 -1.23 120.40 125.84 2pkr s VAL 130 Ca 0.05 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.24 2pkr s VAL 130 Cb -0.13 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2pkr s VAL 130 CO -0.08 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.64 2pkr n GLY 131 N 3.90 0.68 1.03 4.51 0.00 -1.26 -4.88 105.19 109.17 2pkr n GLY 131 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2pkr n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pkr n VAL 132 N -2.00 0.45 -2.07 1.61 0.31 -0.37 -4.92 118.33 111.34 2pkr n VAL 132 Ca 0.00 0.15 -0.00 0.00 -0.01 0.00 0.00 64.34 64.48 2pkr n VAL 132 Cb 0.00 -1.52 -0.00 0.00 -0.91 0.00 0.00 33.84 31.40 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 -3.18 0.06 0.30 4.52 2.04 -0.93 -4.92 115.26 113.16 2pkr n ASN 133 Ca 0.00 -1.72 0.19 0.00 -0.44 0.00 0.00 54.58 52.61 2pkr n ASN 133 Cb 0.31 -0.11 0.95 0.00 -2.53 0.00 0.00 39.78 38.40 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 0.15 0.00 0.00 -3.83 9.09 -1.94 -2.09 114.58 115.97 2pkr h GLU 134 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.33 2pkr h GLU 134 Cb 1.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.46 2pkr h GLU 134 CO -0.01 0.02 0.00 0.39 0.05 0.00 0.00 179.01 179.46 2pkr n GLU 135 N -3.20 0.13 0.00 1.06 1.02 -1.26 -1.62 120.64 116.77 2pkr n GLU 135 Ca -0.02 0.51 0.14 0.00 -0.02 0.00 0.00 57.16 57.77 2pkr n GLU 135 Cb 0.18 -1.83 0.53 0.00 -0.02 0.00 0.00 31.44 30.30 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 -0.77 -1.41 3.77 0.62 0.00 -0.78 -4.89 105.19 101.72 2pkr n GLY 136 Ca 0.00 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.96 3.04 0.03 1.61 5.04 -0.64 -5.04 117.35 118.43 2pkr s TYR 137 Ca 0.14 1.46 0.02 0.00 -2.44 0.00 0.00 57.07 56.26 2pkr s TYR 137 Cb 0.19 -3.59 -0.02 0.00 0.35 0.00 0.00 41.96 38.88 2pkr s TYR 137 CO 0.57 -1.71 -0.08 0.95 -1.34 0.00 0.00 175.55 173.94 2pkr s THR 138 N -1.22 0.55 -0.03 4.34 -4.23 -1.26 -5.02 115.64 108.77 2pkr s THR 138 Ca 0.52 -0.94 0.24 0.00 -1.18 0.00 0.00 61.69 60.33 2pkr s THR 138 Cb -0.37 -0.59 0.24 0.00 1.34 0.00 0.00 72.50 73.12 2pkr s THR 138 CO 0.48 -0.28 1.72 -0.74 -0.54 0.00 0.00 174.62 175.26 2pkr h HIS 139 N 4.76 0.00 0.00 3.99 2.76 -1.96 -1.55 115.15 123.15 2pkr h HIS 139 Ca -0.35 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.82 2pkr h HIS 139 Cb 1.20 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.16 2pkr h HIS 139 CO 0.60 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 177.23 2pkr h ALA 140 N 1.88 1.00 -1.79 5.26 0.00 -1.95 -3.42 119.26 120.23 2pkr h ALA 140 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 2pkr h ALA 140 Cb 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2pkr h ALA 140 CO 0.00 0.00 1.14 -0.51 0.00 0.00 0.00 179.25 179.88 2pkr s ASP 141 N -4.99 6.16 0.15 0.00 1.01 -0.59 -4.85 116.67 113.56 2pkr s ASP 141 Ca 0.04 0.92 0.07 0.00 0.71 0.00 0.00 52.55 54.29 2pkr s ASP 141 Cb 0.09 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.39 2pkr s ASP 141 CO 0.49 -1.56 1.34 0.71 0.21 0.00 0.00 175.17 176.36 2pkr h THR 142 N 6.58 1.64 -3.27 -1.27 1.35 -1.89 -3.44 112.91 112.60 2pkr h THR 142 Ca -0.29 -3.11 -0.48 0.00 -0.55 0.00 0.00 66.41 61.99 2pkr h THR 142 Cb 1.12 2.70 -0.37 0.00 -1.73 0.00 0.00 68.15 69.88 2pkr h THR 142 CO 1.08 0.89 -0.79 -0.63 -0.25 0.00 0.00 175.52 175.82 2pkr s ILE 143 N -2.91 0.73 0.16 6.82 1.01 -1.26 -0.72 121.20 125.03 2pkr s ILE 143 Ca 0.00 -0.13 0.06 0.00 0.00 0.00 0.00 60.65 60.58 2pkr s ILE 143 Cb 0.10 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 2pkr s ILE 143 CO 0.81 0.31 -0.13 0.27 0.00 0.00 0.00 174.94 176.20 2pkr s ILE 144 N 1.58 1.44 0.03 2.92 -4.36 -0.12 -3.94 121.20 118.75 2pkr s ILE 144 Ca 0.01 -2.04 0.08 0.00 -0.26 0.00 0.00 60.65 58.44 2pkr s ILE 144 Cb -0.13 -1.85 -0.03 0.00 1.25 0.00 0.00 42.46 41.70 2pkr s ILE 144 CO -0.05 -0.60 -0.21 -0.55 0.24 0.00 0.00 174.94 173.77 2pkr s SER 145 N -3.05 3.55 -0.18 4.36 0.15 0.80 0.26 113.70 119.59 2pkr s SER 145 Ca 0.17 -0.47 0.16 0.00 0.70 0.00 0.00 55.95 56.50 2pkr s SER 145 Cb -0.01 -0.50 0.69 0.00 -1.71 0.00 0.00 66.02 64.50 2pkr s SER 145 CO 0.04 0.27 1.61 -3.20 1.20 0.00 0.00 173.24 173.15 2pkr n ASN 146 N 1.74 4.86 -0.73 5.45 5.15 -0.76 -1.38 115.26 129.57 2pkr n ASN 146 Ca -0.16 -2.81 0.00 0.00 -0.60 0.00 0.00 54.58 51.01 2pkr n ASN 146 Cb 0.52 -0.60 0.00 0.00 -0.53 0.00 0.00 39.78 39.17 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 0.39 0.00 -1.99 5.20 0.00 -1.25 -4.83 120.51 118.03 2pkr n ALA 147 Ca 0.25 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.49 2pkr n ALA 147 Cb 1.01 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.50 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 5.27 0.13 0.00 1.04 -1.26 -3.52 113.70 111.36 2pkr s SER 148 Ca 0.00 -0.26 -0.18 0.00 0.48 0.00 0.00 55.95 55.98 2pkr s SER 148 Cb 0.00 -0.59 -0.04 0.00 0.10 0.00 0.00 66.02 65.49 2pkr s SER 148 CO 0.00 -1.12 1.76 0.00 0.98 0.00 0.00 173.24 174.85 2pkr h THR 150 N 0.35 1.20 -0.09 0.00 2.02 -1.95 -1.63 112.91 112.81 2pkr h THR 150 Ca 0.10 -0.54 -0.11 0.00 0.77 0.00 0.00 66.41 66.63 2pkr h THR 150 Cb 0.01 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 2pkr h THR 150 CO -0.02 0.23 -0.43 0.74 0.37 0.00 0.00 175.52 176.41 2pkr h THR 151 N 0.90 1.32 0.00 3.16 2.02 -1.81 -0.57 112.91 117.93 2pkr h THR 151 Ca 0.22 -1.56 -0.05 0.00 0.77 0.00 0.00 66.41 65.80 2pkr h THR 151 Cb 0.06 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 2pkr h THR 151 CO -0.03 0.46 -0.22 0.78 0.37 0.00 0.00 175.52 176.88 2pkr h ASN 152 N 0.17 0.00 0.09 4.18 4.21 -0.62 -1.55 115.58 122.06 2pkr h ASN 152 Ca 0.01 0.00 -0.21 0.00 1.21 0.00 0.00 56.30 57.31 2pkr h ASN 152 Cb 0.83 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.03 2pkr h ASN 152 CO 0.07 0.22 -1.05 0.00 -1.29 0.00 0.00 177.43 175.37 2pkr h LEU 154 N -0.52 -0.32 -0.87 0.00 5.85 -1.03 -3.38 115.31 115.04 2pkr h LEU 154 Ca -0.23 -0.20 0.13 0.00 0.84 0.00 0.00 57.88 58.42 2pkr h LEU 154 Cb 1.56 0.08 -0.14 0.00 0.37 0.00 0.00 40.66 42.53 2pkr h LEU 154 CO 0.03 0.16 -0.41 0.00 -0.34 0.00 0.00 178.44 177.88 2pkr h ALA 155 N -0.58 -0.02 -0.46 1.25 0.00 -1.51 -1.20 119.26 116.73 2pkr h ALA 155 Ca -0.04 0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.18 2pkr h ALA 155 Cb 0.49 1.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.20 2pkr h ALA 155 CO 0.06 -0.70 -0.17 -1.35 0.00 0.00 0.00 179.25 177.09 2pkr h PRO 156 N -0.06 -0.07 0.00 0.00 0.11 -1.76 0.14 132.00 130.36 2pkr h PRO 156 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 2pkr h PRO 156 Cb 0.56 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.69 2pkr h PRO 156 CO -0.89 -0.05 -0.18 0.27 -0.21 0.00 0.00 178.00 176.95 2pkr h PHE 157 N -0.07 0.00 -0.24 0.65 -5.15 -1.61 -3.04 116.94 107.48 2pkr h PHE 157 Ca 0.22 0.00 -0.16 0.00 -0.20 0.00 0.00 57.97 57.83 2pkr h PHE 157 Cb 0.41 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.58 2pkr h PHE 157 CO -0.44 0.00 -0.51 0.28 -2.00 0.00 0.00 178.31 175.64 2pkr h VAL 158 N 0.00 1.30 -0.75 0.88 2.07 -0.60 -0.71 116.25 118.44 2pkr h VAL 158 Ca 0.00 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.79 2pkr h VAL 158 Cb 0.92 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 32.32 2pkr h VAL 158 CO 0.00 0.55 0.41 0.50 0.02 0.00 0.00 177.57 179.05 2pkr h LYS 159 N 0.52 1.04 -0.16 1.57 3.64 -0.64 0.42 116.57 122.95 2pkr h LYS 159 Ca 0.02 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.15 2pkr h LYS 159 Cb 1.06 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2pkr h LYS 159 CO 0.10 0.76 -0.44 0.28 -2.27 0.00 0.00 179.45 177.88 2pkr h VAL 160 N 1.05 1.34 -0.64 2.00 2.07 -1.38 -2.40 116.25 118.29 2pkr h VAL 160 Ca 0.27 -1.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.04 2pkr h VAL 160 Cb 0.02 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 2pkr h VAL 160 CO -0.04 0.52 0.23 -0.07 0.02 0.00 0.00 177.57 178.22 2pkr h LEU 161 N 0.25 0.88 -0.14 2.57 3.38 -0.72 -1.41 115.31 120.11 2pkr h LEU 161 Ca -0.01 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 2pkr h LEU 161 Cb 1.06 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2pkr h LEU 161 CO 0.10 0.81 -0.09 -0.78 0.09 0.00 0.00 178.44 178.56 2pkr h ASP 162 N 0.93 0.33 -0.36 -0.43 3.58 -0.90 -0.09 116.42 119.47 2pkr h ASP 162 Ca 0.21 -0.44 -0.00 0.00 0.42 0.00 0.00 57.03 57.23 2pkr h ASP 162 Cb 0.23 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 2pkr h ASP 162 CO -0.01 0.69 0.22 1.56 -2.88 0.00 0.00 179.24 178.82 2pkr h GLN 163 N -0.04 0.49 0.04 0.28 4.20 -1.29 0.20 115.11 119.00 2pkr h GLN 163 Ca 0.03 -0.04 -0.24 0.00 0.06 0.00 0.00 58.65 58.46 2pkr h GLN 163 Cb 0.58 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 2pkr h GLN 163 CO 0.03 0.37 -1.12 0.87 -0.67 0.00 0.00 178.83 178.30 2pkr h LYS 164 N 0.47 0.09 0.00 1.46 6.56 -1.29 -3.41 116.57 120.45 2pkr h LYS 164 Ca 0.13 -0.16 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 2pkr h LYS 164 Cb 0.00 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.73 2pkr h LYS 164 CO -0.02 1.06 -0.42 1.19 -2.06 0.00 0.00 179.45 179.19 2pkr n PHE 165 N -3.40 0.00 -1.48 -1.35 3.72 -0.09 -4.95 117.46 109.91 2pkr n PHE 165 Ca -0.04 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.36 2pkr n PHE 165 Cb 0.97 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.51 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 1.24 -3.36 3.68 1.37 0.00 0.71 -2.01 105.19 106.82 2pkr n GLY 166 Ca 0.00 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.11 4.91 -0.18 -0.61 1.01 -1.26 -0.47 121.20 124.48 2pkr s ILE 167 Ca -0.03 1.64 -0.19 0.00 0.00 0.00 0.00 60.65 62.07 2pkr s ILE 167 Cb 0.00 -4.14 -0.21 0.00 0.01 0.00 0.00 42.46 38.12 2pkr s ILE 167 CO 0.07 0.08 0.29 0.40 0.00 0.00 0.00 174.94 175.79 2pkr h ILE 168 N 5.08 0.91 -2.11 2.92 2.04 -1.24 -3.48 117.51 121.64 2pkr h ILE 168 Ca -0.32 -2.23 0.19 0.00 1.00 0.00 0.00 64.86 63.50 2pkr h ILE 168 Cb 1.15 2.36 -0.11 0.00 -0.74 0.00 0.00 36.82 39.48 2pkr h ILE 168 CO 0.81 0.46 0.57 -1.59 0.00 0.00 0.00 178.15 178.40 2pkr s LYS 169 N -2.40 0.92 0.05 2.37 -2.85 -1.20 -4.82 119.74 111.81 2pkr s LYS 169 Ca -0.27 -0.47 -0.27 0.00 -1.00 0.00 0.00 55.97 53.97 2pkr s LYS 169 Cb 0.05 0.34 0.09 0.00 -2.06 0.00 0.00 37.83 36.25 2pkr s LYS 169 CO 0.64 -0.42 1.20 0.20 0.10 0.00 0.00 175.35 177.07 2pkr s GLY 170 N -2.80 -0.08 0.04 0.59 0.00 -0.31 -1.13 107.32 103.62 2pkr s GLY 170 Ca 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 44.72 44.81 2pkr s GLY 170 CO -0.02 3.85 -0.01 -1.08 0.00 0.00 0.00 173.10 175.84 2pkr s THR 171 N -2.14 0.18 0.01 0.90 -1.32 0.83 -3.17 115.64 110.93 2pkr s THR 171 Ca 0.25 -1.45 -0.03 0.00 -1.21 0.00 0.00 61.69 59.25 2pkr s THR 171 Cb -0.01 -1.06 -0.01 0.00 -1.51 0.00 0.00 72.50 69.91 2pkr s THR 171 CO 0.01 -0.80 0.04 0.00 -2.21 0.00 0.00 174.62 171.66 2pkr s MET 172 N -3.03 0.38 -0.04 7.08 0.23 -0.36 -0.89 119.30 122.67 2pkr s MET 172 Ca -0.01 -0.53 0.00 0.00 -1.03 0.00 0.00 55.69 54.12 2pkr s MET 172 Cb 0.01 0.15 0.03 0.00 -1.53 0.00 0.00 34.83 33.49 2pkr s MET 172 CO -0.07 -0.08 -0.01 0.99 -2.03 0.00 0.00 175.02 173.82 2pkr s THR 173 N -1.44 0.31 -0.15 3.16 2.01 -0.21 -1.55 115.64 117.77 2pkr s THR 173 Ca -0.15 0.04 -0.00 0.00 0.31 0.00 0.00 61.69 61.88 2pkr s THR 173 Cb -0.09 -0.40 -0.01 0.00 0.01 0.00 0.00 72.50 72.01 2pkr s THR 173 CO 0.00 0.19 -0.14 0.28 -0.69 0.00 0.00 174.62 174.26 2pkr s THR 174 N 1.19 2.79 -0.58 -0.82 -1.32 -0.77 -0.03 115.64 116.11 2pkr s THR 174 Ca -0.07 -0.73 -0.21 0.00 -1.21 0.00 0.00 61.69 59.47 2pkr s THR 174 Cb -0.14 -2.18 0.07 0.00 -1.51 0.00 0.00 72.50 68.74 2pkr s THR 174 CO -0.02 0.51 0.79 -0.89 -2.21 0.00 0.00 174.62 172.80 2pkr s THR 175 N 0.75 4.63 -0.10 5.08 2.01 -0.39 0.10 115.64 127.73 2pkr s THR 175 Ca -0.06 -0.47 -0.01 0.00 0.31 0.00 0.00 61.69 61.46 2pkr s THR 175 Cb -0.15 -4.49 -0.03 0.00 0.01 0.00 0.00 72.50 67.83 2pkr s THR 175 CO 0.01 -1.12 -0.05 -2.28 -0.69 0.00 0.00 174.62 170.49 2pkr s HIS 176 N 3.24 2.99 0.74 4.92 5.04 0.49 -0.99 115.29 131.71 2pkr s HIS 176 Ca 0.18 -0.07 -0.15 0.00 -1.54 0.00 0.00 55.06 53.49 2pkr s HIS 176 Cb -0.19 -1.80 0.04 0.00 0.04 0.00 0.00 32.58 30.68 2pkr s HIS 176 CO 0.11 0.23 1.20 -1.12 -2.34 0.00 0.00 174.74 172.82 2pkr s SER 177 N -0.44 4.18 0.76 9.88 0.01 -1.25 -0.71 113.70 126.13 2pkr s SER 177 Ca 0.07 2.33 -0.11 0.00 1.31 0.00 0.00 55.95 59.55 2pkr s SER 177 Cb -0.12 -2.59 0.05 0.00 0.21 0.00 0.00 66.02 63.57 2pkr s SER 177 CO 0.02 -2.27 1.08 -0.72 0.41 0.00 0.00 173.24 171.76 2pkr s TYR 178 N -2.04 2.81 0.14 2.43 -0.85 -0.15 -4.74 117.35 114.96 2pkr s TYR 178 Ca 0.74 1.40 0.01 0.00 -0.52 0.00 0.00 57.07 58.70 2pkr s TYR 178 Cb -0.28 -3.00 -0.04 0.00 0.38 0.00 0.00 41.96 39.01 2pkr s TYR 178 CO 0.46 -1.63 -0.01 0.95 -1.52 0.00 0.00 175.55 173.80 2pkr s THR 179 N -3.00 0.59 0.24 -3.49 -4.23 -1.26 -4.71 115.64 99.78 2pkr s THR 179 Ca 0.60 -1.95 0.16 0.00 -1.18 0.00 0.00 61.69 59.32 2pkr s THR 179 Cb -0.16 -1.96 0.16 0.00 1.34 0.00 0.00 72.50 71.88 2pkr s THR 179 CO 0.55 -0.61 1.40 1.23 -0.54 0.00 0.00 174.62 176.65 2pkr h GLY 180 N 2.81 0.00 2.00 3.99 0.00 -1.98 0.13 103.07 110.02 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 0.63 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.51 2pkr n ASP 181 N -2.27 0.74 -4.94 0.19 2.03 -1.26 -4.76 116.55 106.28 2pkr n ASP 181 Ca -0.01 0.63 -0.24 0.00 0.52 0.00 0.00 54.79 55.69 2pkr n ASP 181 Cb 0.41 -0.81 0.02 0.00 -0.72 0.00 0.00 41.12 40.01 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 -3.23 3.03 -0.09 -0.67 -0.21 0.44 -4.97 119.66 113.97 2pkr s GLN 182 Ca 0.07 -0.31 -0.10 0.00 0.02 0.00 0.00 55.36 55.04 2pkr s GLN 182 Cb 0.11 -2.46 -0.05 0.00 1.00 0.00 0.00 33.01 31.61 2pkr s GLN 182 CO 0.48 -0.41 0.23 1.03 -2.12 0.00 0.00 175.29 174.51 2pkr s ARG 183 N -4.70 3.66 0.10 2.91 1.81 -1.10 -4.97 118.95 116.66 2pkr s ARG 183 Ca 0.50 0.05 -0.23 0.00 -1.72 0.00 0.00 55.73 54.34 2pkr s ARG 183 Cb -0.10 -3.22 -0.12 0.00 -0.45 0.00 0.00 34.95 31.06 2pkr s ARG 183 CO 0.40 0.71 1.73 1.25 -0.68 0.00 0.00 175.30 178.71 2pkr h LEU 184 N 5.05 -0.07 -8.59 2.53 5.85 -1.92 -1.47 115.31 116.69 2pkr h LEU 184 Ca -0.53 0.02 -0.46 0.00 0.84 0.00 0.00 57.88 57.75 2pkr h LEU 184 Cb 1.22 0.04 -0.20 0.00 0.37 0.00 0.00 40.66 42.09 2pkr h LEU 184 CO 0.61 -0.03 -0.78 -0.76 -0.34 0.00 0.00 178.44 177.13 2pkr s LEU 185 N -10.24 2.35 -0.39 2.25 1.43 -1.26 -3.53 118.68 109.29 2pkr s LEU 185 Ca -0.13 -0.73 -0.35 0.00 -1.03 0.00 0.00 54.13 51.88 2pkr s LEU 185 Cb 0.07 -0.64 -0.15 0.00 0.03 0.00 0.00 46.19 45.50 2pkr s LEU 185 CO 0.66 -0.07 1.47 0.47 0.23 0.00 0.00 176.35 179.11 2pkr n ASP 186 N 0.85 0.75 -3.88 2.29 9.92 -1.25 -4.52 116.55 120.70 2pkr n ASP 186 Ca -0.18 0.71 -0.08 0.00 -0.53 0.00 0.00 54.79 54.71 2pkr n ASP 186 Cb 0.55 -0.69 -0.04 0.00 -0.64 0.00 0.00 41.12 40.31 2pkr n ASP 186 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2pkr s ALA 187 N 3.57 -0.65 0.33 2.24 0.00 -0.16 -4.95 121.76 122.14 2pkr s ALA 187 Ca 0.88 -0.65 -0.26 0.00 0.00 0.00 0.00 51.96 51.92 2pkr s ALA 187 Cb -1.16 0.96 -0.13 0.00 0.00 0.00 0.00 23.12 22.79 2pkr s ALA 187 CO 0.57 -0.94 0.93 -1.13 0.00 0.00 0.00 175.76 175.19 2pkr n SER 188 N -0.48 0.91 -3.64 0.00 3.41 -1.26 -4.53 113.62 108.03 2pkr n SER 188 Ca -0.03 1.11 -0.06 0.00 -0.26 0.00 0.00 58.87 59.63 2pkr n SER 188 Cb 0.61 -1.27 -0.07 0.00 -0.26 0.00 0.00 64.21 63.22 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 -1.16 -0.30 0.35 7.33 5.04 -1.26 -4.88 115.29 120.41 2pkr s HIS 190 Ca 0.60 0.72 0.05 0.00 -1.54 0.00 0.00 55.06 54.89 2pkr s HIS 190 Cb -0.66 0.39 0.69 0.00 0.04 0.00 0.00 32.58 33.04 2pkr s HIS 190 CO 0.59 -0.15 1.96 0.07 -2.34 0.00 0.00 174.74 174.87 2pkr h ARG 191 N 3.97 0.79 -5.18 2.88 0.11 -1.99 -3.35 114.38 111.61 2pkr h ARG 191 Ca -0.28 -0.05 -0.66 0.00 0.10 0.00 0.00 59.98 59.10 2pkr h ARG 191 Cb 1.18 -0.18 -0.16 0.00 1.11 0.00 0.00 29.97 31.92 2pkr h ARG 191 CO 0.15 0.52 0.51 0.34 0.10 0.00 0.00 179.97 181.59 2pkr s ASP 192 N -6.21 6.28 0.12 0.08 -1.08 -1.26 -4.91 116.67 109.68 2pkr s ASP 192 Ca -0.10 -1.33 0.05 0.00 -0.52 0.00 0.00 52.55 50.65 2pkr s ASP 192 Cb 0.19 -2.39 0.27 0.00 -1.46 0.00 0.00 42.92 39.53 2pkr s ASP 192 CO 0.78 -1.28 0.99 0.18 0.52 0.00 0.00 175.17 176.35 2pkr n LEU 193 N 7.13 0.13 -0.07 -1.34 4.77 -1.26 -0.30 117.00 126.07 2pkr n LEU 193 Ca 0.01 0.40 -0.15 0.00 -0.03 0.00 0.00 56.01 56.24 2pkr n LEU 193 Cb 0.46 -0.39 -0.14 0.00 -2.33 0.00 0.00 43.42 41.02 2pkr n LEU 193 CO 0.60 -0.45 -1.03 0.54 -1.33 0.00 0.00 177.39 175.72 2pkr n ARG 194 N -1.58 0.68 0.00 3.23 1.74 -1.26 -3.90 116.66 115.57 2pkr n ARG 194 Ca -0.00 0.16 0.10 0.00 -0.77 0.00 0.00 57.85 57.34 2pkr n ARG 194 Cb 0.23 -1.61 0.50 0.00 -1.02 0.00 0.00 32.46 30.56 2pkr n ARG 194 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2pkr n ARG 195 N -3.14 0.24 0.18 5.56 1.74 0.59 -2.12 116.66 119.71 2pkr n ARG 195 Ca -0.34 0.10 0.13 0.00 -0.77 0.00 0.00 57.85 56.97 2pkr n ARG 195 Cb 1.06 -1.50 0.32 0.00 -1.02 0.00 0.00 32.46 31.31 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 1.00 -2.55 7.54 0.00 -1.51 -2.92 119.26 123.73 2pkr h ALA 196 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 2pkr h ALA 196 Cb 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2pkr h ALA 196 CO 0.00 0.00 0.09 1.03 0.00 0.00 0.00 179.25 180.37 2pkr s ARG 197 N -3.21 4.23 -0.42 0.00 1.81 -0.90 -0.99 118.95 119.47 2pkr s ARG 197 Ca 0.08 0.84 -0.30 0.00 -1.72 0.00 0.00 55.73 54.62 2pkr s ARG 197 Cb 0.08 -2.90 -0.14 0.00 -0.45 0.00 0.00 34.95 31.54 2pkr s ARG 197 CO 0.62 0.41 1.60 0.00 -0.68 0.00 0.00 175.30 177.25 2pkr n ALA 198 N 0.78 0.17 0.21 2.13 0.00 -1.26 -4.51 120.51 118.03 2pkr n ALA 198 Ca -0.03 0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.54 2pkr n ALA 198 Cb 0.51 -1.52 0.44 0.00 0.00 0.00 0.00 19.45 18.88 2pkr n ALA 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pkr h ALA 199 N 6.82 1.45 -0.00 0.00 0.00 -1.31 -2.86 119.26 123.35 2pkr h ALA 199 Ca -0.07 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2pkr h ALA 199 Cb 1.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2pkr h ALA 199 CO 0.82 0.36 -0.27 0.00 0.00 0.00 0.00 179.25 180.15 2pkr n LEU 201 N -0.93 0.63 -4.28 0.00 4.77 -1.09 -4.73 117.00 111.38 2pkr n LEU 201 Ca 0.11 -0.43 -0.15 0.00 -0.03 0.00 0.00 56.01 55.50 2pkr n LEU 201 Cb 0.33 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.32 2pkr n LEU 201 CO 0.28 0.16 -0.31 0.20 -1.33 0.00 0.00 177.39 176.38 2pkr s ASN 202 N -2.64 1.34 -0.29 -1.43 -0.87 -1.14 -5.07 114.94 104.84 2pkr s ASN 202 Ca 0.04 -1.24 -0.10 0.00 -1.57 0.00 0.00 52.86 49.99 2pkr s ASN 202 Cb 0.11 0.11 -0.03 0.00 -0.02 0.00 0.00 41.25 41.42 2pkr s ASN 202 CO 0.64 -0.60 0.17 -0.63 -2.57 0.00 0.00 177.10 174.11 2pkr s ILE 203 N -3.63 4.95 -0.36 0.60 1.01 -1.26 -4.09 121.20 118.42 2pkr s ILE 203 Ca 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.78 2pkr s ILE 203 Cb 0.06 -3.43 0.08 0.00 0.01 0.00 0.00 42.46 39.18 2pkr s ILE 203 CO 0.07 0.17 0.12 -0.69 0.00 0.00 0.00 174.94 174.61 2pkr s VAL 204 N 1.69 3.32 0.34 2.92 1.01 0.18 -4.91 120.40 124.94 2pkr s VAL 204 Ca 0.06 -1.63 -0.28 0.00 0.00 0.00 0.00 61.98 60.13 2pkr s VAL 204 Cb -0.16 -3.07 -0.09 0.00 0.00 0.00 0.00 36.38 33.05 2pkr s VAL 204 CO 0.08 -0.39 1.20 -2.84 0.00 0.00 0.00 175.10 173.15 2pkr s PRO 205 N 1.24 4.35 0.10 2.72 0.02 -1.26 -0.28 135.00 141.89 2pkr s PRO 205 Ca 0.02 1.97 -0.18 0.00 0.02 0.00 0.00 61.00 62.82 2pkr s PRO 205 Cb -0.21 -2.98 0.04 0.00 0.02 0.00 0.00 34.50 31.37 2pkr s PRO 205 CO -0.02 -0.10 0.45 -0.08 -0.33 0.00 0.00 177.00 176.92 2pkr s THR 206 N -1.23 0.05 0.79 0.99 -1.32 -0.09 -4.72 115.64 110.12 2pkr s THR 206 Ca 0.50 -0.42 -0.11 0.00 -1.21 0.00 0.00 61.69 60.45 2pkr s THR 206 Cb -0.34 -1.06 0.07 0.00 -1.51 0.00 0.00 72.50 69.65 2pkr s THR 206 CO 0.45 -0.23 1.09 -0.94 -2.21 0.00 0.00 174.62 172.77 2pkr s SER 207 N -2.46 4.41 -0.08 8.08 1.04 -1.26 -1.14 113.70 122.29 2pkr s SER 207 Ca -0.01 1.63 -0.12 0.00 0.48 0.00 0.00 55.95 57.93 2pkr s SER 207 Cb 0.00 -2.36 0.03 0.00 0.10 0.00 0.00 66.02 63.79 2pkr s SER 207 CO -0.08 -2.06 0.30 0.28 0.98 0.00 0.00 173.24 172.66 2pkr s THR 208 N -2.97 0.02 -1.75 2.02 -1.32 -1.26 -4.61 115.64 105.77 2pkr s THR 208 Ca 0.61 -0.16 0.19 0.00 -1.21 0.00 0.00 61.69 61.12 2pkr s THR 208 Cb -0.16 -0.48 -0.00 0.00 -1.51 0.00 0.00 72.50 70.35 2pkr s THR 208 CO 0.56 -0.09 0.96 0.61 -2.21 0.00 0.00 174.62 174.45 2pkr n GLY 209 N 2.42 0.02 0.44 6.08 0.00 -1.26 -4.52 105.19 108.36 2pkr n GLY 209 Ca -0.16 -0.54 0.30 0.00 0.00 0.00 0.00 46.02 45.63 2pkr n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pkr h ALA 210 N 3.28 2.50 -0.12 4.61 0.00 -1.96 0.45 119.26 128.02 2pkr h ALA 210 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2pkr h ALA 210 Cb 0.65 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2pkr h ALA 210 CO 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 179.25 178.21 2pkr h ALA 211 N 1.62 0.16 -0.03 0.00 0.00 -1.90 -0.53 119.26 118.57 2pkr h ALA 211 Ca 0.72 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 55.27 2pkr h ALA 211 Cb 2.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.82 2pkr h ALA 211 CO -0.37 -0.12 -0.68 1.57 0.00 0.00 0.00 179.25 179.65 2pkr h LYS 212 N -0.07 0.15 -0.13 0.00 2.10 -1.38 -3.12 116.57 114.11 2pkr h LYS 212 Ca 0.03 -0.12 -0.06 0.00 -2.00 0.00 0.00 60.65 58.51 2pkr h LYS 212 Cb 0.40 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.74 2pkr h LYS 212 CO 0.01 0.77 -0.18 0.00 -2.00 0.00 0.00 179.45 178.04 2pkr h ALA 213 N 1.20 1.45 -0.58 0.07 0.00 0.04 -1.47 119.26 119.97 2pkr h ALA 213 Ca -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2pkr h ALA 213 Cb 1.21 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2pkr h ALA 213 CO 0.10 0.39 0.27 0.28 0.00 0.00 0.00 179.25 180.28 2pkr h VAL 214 N 0.20 1.19 0.00 0.00 2.07 -1.03 -1.59 116.25 117.09 2pkr h VAL 214 Ca 0.04 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 2pkr h VAL 214 Cb 0.45 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2pkr h VAL 214 CO 0.03 0.23 -0.27 0.00 0.02 0.00 0.00 177.57 177.57 2pkr h ALA 215 N 1.48 1.35 -0.51 1.67 0.00 -1.34 0.83 119.26 122.74 2pkr h ALA 215 Ca 0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2pkr h ALA 215 Cb 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2pkr h ALA 215 CO -0.03 0.34 0.23 -0.07 0.00 0.00 0.00 179.25 179.73 2pkr h LEU 216 N 0.00 0.68 0.00 0.00 3.38 -1.15 -1.93 115.31 116.29 2pkr h LEU 216 Ca -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2pkr h LEU 216 Cb 0.55 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2pkr h LEU 216 CO 0.04 0.63 -0.72 1.33 0.09 0.00 0.00 178.44 179.81 2pkr n VAL 217 N -4.58 0.09 -3.45 1.22 0.24 -0.99 -4.44 118.33 106.42 2pkr n VAL 217 Ca 0.02 -0.10 -0.27 0.00 -2.04 0.00 0.00 64.34 61.95 2pkr n VAL 217 Cb 0.13 0.30 -0.10 0.00 -1.47 0.00 0.00 33.84 32.69 2pkr n VAL 217 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2pkr s LEU 218 N -3.38 1.68 0.47 1.34 1.43 0.25 -4.55 118.68 115.91 2pkr s LEU 218 Ca 0.08 -3.05 0.29 0.00 -1.03 0.00 0.00 54.13 50.42 2pkr s LEU 218 Cb 0.16 -0.54 1.35 0.00 0.03 0.00 0.00 46.19 47.19 2pkr s LEU 218 CO 0.75 -0.18 1.78 -0.65 0.23 0.00 0.00 176.35 178.28 2pkr h PRO 219 N 5.76 0.17 0.00 1.29 0.11 -1.57 -0.55 132.00 137.21 2pkr h PRO 219 Ca 0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2pkr h PRO 219 Cb 0.90 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2pkr h PRO 219 CO 0.39 0.11 0.00 -0.97 -0.21 0.00 0.00 178.00 177.32 2pkr h ASN 220 N 0.17 0.00 -0.54 -2.05 -1.24 -1.95 -0.95 115.58 109.02 2pkr h ASN 220 Ca 0.60 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.61 2pkr h ASN 220 Cb 1.97 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.02 2pkr h ASN 220 CO -0.16 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.16 2pkr n LEU 221 N -2.74 3.53 -4.66 0.34 7.99 -0.22 -4.95 117.00 116.30 2pkr n LEU 221 Ca -0.02 -1.65 -0.46 0.00 -0.01 0.00 0.00 56.01 53.87 2pkr n LEU 221 Cb 0.07 -0.36 -0.04 0.00 -0.11 0.00 0.00 43.42 42.99 2pkr n LEU 221 CO 0.16 0.82 1.12 1.17 -1.51 0.00 0.00 177.39 179.16 2pkr n LYS 222 N 1.47 2.03 -0.80 3.23 4.81 -0.36 -1.71 118.16 126.83 2pkr n LYS 222 Ca 0.21 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.38 2pkr n LYS 222 Cb 0.59 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.18 2pkr n LYS 222 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pkr n GLY 223 N 3.00 0.28 0.01 3.14 0.00 -1.26 -4.83 105.19 105.53 2pkr n GLY 223 Ca 0.16 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 -1.39 0.13 -4.22 1.61 5.02 -0.69 -4.98 118.16 113.64 2pkr n LYS 224 Ca 0.00 -0.02 -0.15 0.00 -2.02 0.00 0.00 58.31 56.11 2pkr n LYS 224 Cb 0.12 -1.52 -0.11 0.00 -0.02 0.00 0.00 35.03 33.51 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 -3.36 2.45 0.29 -0.35 1.43 -1.26 -1.16 118.68 116.72 2pkr s LEU 225 Ca 0.06 -0.88 -0.18 0.00 -1.03 0.00 0.00 54.13 52.10 2pkr s LEU 225 Cb 0.16 -0.39 0.02 0.00 0.03 0.00 0.00 46.19 46.01 2pkr s LEU 225 CO 0.84 -0.25 0.67 0.21 0.23 0.00 0.00 176.35 178.04 2pkr s ASN 226 N -2.68 -0.14 0.00 2.29 2.47 -1.19 -4.51 114.94 111.18 2pkr s ASN 226 Ca 0.10 -0.79 0.00 0.00 0.42 0.00 0.00 52.86 52.59 2pkr s ASN 226 Cb -0.02 0.71 0.00 0.00 -1.45 0.00 0.00 41.25 40.49 2pkr s ASN 226 CO 0.01 -1.35 0.00 0.61 -3.72 0.00 0.00 177.10 172.65 2pkr n GLY 227 N -0.46 -1.50 3.41 1.21 0.00 -1.26 -1.22 105.19 105.37 2pkr n GLY 227 Ca -0.04 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.60 0.00 0.07 -0.61 -5.25 -0.60 -4.46 121.20 107.75 2pkr s ILE 228 Ca 0.00 -1.72 0.08 0.00 -0.99 0.00 0.00 60.65 58.03 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 -3.51 1.91 -0.27 2.27 0.00 -0.29 -1.84 121.76 120.03 2pkr s ALA 229 Ca 0.33 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 51.13 2pkr s ALA 229 Cb 0.02 -0.35 0.07 0.00 0.00 0.00 0.00 23.12 22.86 2pkr s ALA 229 CO 0.18 0.42 -0.05 -0.51 0.00 0.00 0.00 175.76 175.80 2pkr s LEU 230 N -1.43 3.37 -0.08 0.00 1.43 0.29 -0.91 118.68 121.34 2pkr s LEU 230 Ca 0.09 -1.49 -0.30 0.00 -1.03 0.00 0.00 54.13 51.40 2pkr s LEU 230 Cb -0.09 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.69 2pkr s LEU 230 CO 0.03 -0.25 1.00 -0.13 0.23 0.00 0.00 176.35 177.23 2pkr s ARG 231 N 1.18 4.45 0.28 1.70 1.81 0.62 -0.38 118.95 128.62 2pkr s ARG 231 Ca -0.03 1.40 0.09 0.00 -1.72 0.00 0.00 55.73 55.46 2pkr s ARG 231 Cb -0.19 -3.52 -0.06 0.00 -0.45 0.00 0.00 34.95 30.73 2pkr s ARG 231 CO -0.07 -0.25 -0.11 0.14 -0.68 0.00 0.00 175.30 174.33 2pkr s VAL 232 N 1.78 1.97 -0.01 3.52 -7.23 0.11 0.51 120.40 121.06 2pkr s VAL 232 Ca 0.49 -2.21 -0.02 0.00 -1.81 0.00 0.00 61.98 58.43 2pkr s VAL 232 Cb -0.19 -2.41 -0.08 0.00 0.56 0.00 0.00 36.38 34.26 2pkr s VAL 232 CO 0.20 -0.34 1.47 -2.65 -0.31 0.00 0.00 175.10 173.47 2pkr n PRO 233 N -0.61 0.63 -4.74 4.82 -0.02 -1.26 -2.95 135.00 130.87 2pkr n PRO 233 Ca -0.06 -0.32 -0.24 0.00 -2.02 0.00 0.00 63.50 60.86 2pkr n PRO 233 Cb 0.62 -1.66 -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 2.40 1.37 -0.06 3.45 -4.23 -1.26 -5.00 115.64 112.30 2pkr s THR 234 Ca 0.21 -0.82 0.25 0.00 -1.18 0.00 0.00 61.69 60.15 2pkr s THR 234 Cb 0.10 -1.15 0.28 0.00 1.34 0.00 0.00 72.50 73.06 2pkr s THR 234 CO -0.00 0.32 1.75 1.55 -0.54 0.00 0.00 174.62 177.70 2pkr h PRO 235 N 5.52 0.00 -1.95 3.99 0.13 -1.87 -0.37 132.00 137.45 2pkr h PRO 235 Ca -0.37 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 2pkr h PRO 235 Cb 1.16 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.09 2pkr h PRO 235 CO 0.47 0.15 0.30 1.21 -0.23 0.00 0.00 178.00 179.91 2pkr s ASN 236 N -6.11 -0.56 0.00 1.44 2.47 -1.26 -4.58 114.94 106.33 2pkr s ASN 236 Ca 0.03 0.57 0.00 0.00 0.42 0.00 0.00 52.86 53.87 2pkr s ASN 236 Cb 0.08 0.47 0.00 0.00 -1.45 0.00 0.00 41.25 40.35 2pkr s ASN 236 CO 0.64 -0.56 0.00 0.52 -3.72 0.00 0.00 177.10 173.98 2pkr n VAL 237 N 0.74 -0.59 -4.54 -5.21 0.31 -1.26 -4.89 118.33 102.90 2pkr n VAL 237 Ca -0.16 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 63.91 2pkr n VAL 237 Cb 0.58 -0.59 -0.08 0.00 -0.91 0.00 0.00 33.84 32.84 2pkr n VAL 237 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2pkr s SER 238 N -0.26 2.93 -0.13 4.52 0.01 0.60 -3.75 113.70 117.62 2pkr s SER 238 Ca 0.00 -1.66 -0.09 0.00 1.31 0.00 0.00 55.95 55.51 2pkr s SER 238 Cb 0.00 0.49 0.04 0.00 0.21 0.00 0.00 66.02 66.76 2pkr s SER 238 CO 0.00 -0.91 0.33 0.54 0.41 0.00 0.00 173.24 173.60 2pkr s VAL 239 N -3.17 -0.02 -0.10 3.43 0.11 -0.16 -0.95 120.40 119.54 2pkr s VAL 239 Ca 0.22 0.07 -0.08 0.00 -2.93 0.00 0.00 61.98 59.26 2pkr s VAL 239 Cb 0.03 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 2pkr s VAL 239 CO 0.13 0.03 0.18 0.68 -3.33 0.00 0.00 175.10 172.79 2pkr s VAL 240 N 0.80 5.45 -0.29 2.04 -7.23 0.01 -1.26 120.40 119.92 2pkr s VAL 240 Ca -0.05 0.27 -0.01 0.00 -1.81 0.00 0.00 61.98 60.37 2pkr s VAL 240 Cb -0.06 -3.45 0.05 0.00 0.56 0.00 0.00 36.38 33.48 2pkr s VAL 240 CO -0.06 0.60 -0.02 -0.62 -0.31 0.00 0.00 175.10 174.69 2pkr s ASP 241 N -1.09 4.83 -0.10 4.85 2.15 0.96 -1.26 116.67 127.01 2pkr s ASP 241 Ca 0.17 -1.29 0.01 0.00 0.43 0.00 0.00 52.55 51.87 2pkr s ASP 241 Cb -0.13 -1.69 -0.02 0.00 -0.30 0.00 0.00 42.92 40.78 2pkr s ASP 241 CO 0.06 -0.25 -0.12 -0.22 -0.17 0.00 0.00 175.17 174.47 2pkr s LEU 242 N 1.23 2.80 -0.15 -1.34 2.96 0.12 -1.04 118.68 123.25 2pkr s LEU 242 Ca -0.06 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 2pkr s LEU 242 Cb -0.20 -1.61 0.02 0.00 0.50 0.00 0.00 46.19 44.90 2pkr s LEU 242 CO -0.02 0.24 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.41 2pkr s VAL 243 N -0.09 1.62 0.02 1.68 1.01 -0.07 -0.08 120.40 124.49 2pkr s VAL 243 Ca -0.01 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.31 2pkr s VAL 243 Cb -0.14 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 2pkr s VAL 243 CO 0.03 0.47 -0.05 0.68 0.00 0.00 0.00 175.10 176.23 2pkr s VAL 244 N 1.44 0.38 -0.15 2.92 -7.23 -0.50 -0.12 120.40 117.14 2pkr s VAL 244 Ca 0.04 -0.58 -0.13 0.00 -1.81 0.00 0.00 61.98 59.50 2pkr s VAL 244 Cb -0.13 -0.40 -0.05 0.00 0.56 0.00 0.00 36.38 36.37 2pkr s VAL 244 CO -0.11 -0.14 0.27 -1.58 -0.31 0.00 0.00 175.10 173.24 2pkr s GLN 245 N -0.77 4.18 0.30 4.82 0.74 -0.29 -0.04 119.66 128.60 2pkr s GLN 245 Ca -0.04 0.07 0.09 0.00 0.05 0.00 0.00 55.36 55.52 2pkr s GLN 245 Cb -0.05 -3.40 -0.04 0.00 1.10 0.00 0.00 33.01 30.61 2pkr s GLN 245 CO -0.00 0.30 0.05 0.14 -0.55 0.00 0.00 175.29 175.23 2pkr s VAL 246 N 0.29 3.24 -0.00 1.34 -7.23 -0.27 -0.71 120.40 117.05 2pkr s VAL 246 Ca 0.16 -1.83 0.11 0.00 -1.81 0.00 0.00 61.98 58.61 2pkr s VAL 246 Cb -0.13 -2.90 -0.14 0.00 0.56 0.00 0.00 36.38 33.77 2pkr s VAL 246 CO 0.04 -0.29 1.15 0.77 -0.31 0.00 0.00 175.10 176.46 2pkr h SER 247 N 1.75 0.00 -3.87 4.85 4.64 -0.30 -3.45 113.55 117.17 2pkr h SER 247 Ca -0.44 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.24 2pkr h SER 247 Cb 1.25 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.17 2pkr h SER 247 CO 0.62 0.83 -0.50 -0.75 -0.87 0.00 0.00 176.83 176.16 2pkr s LYS 248 N -2.77 3.90 0.39 4.77 2.20 -0.85 -5.05 119.74 122.32 2pkr s LYS 248 Ca 0.00 -0.34 -0.26 0.00 -0.36 0.00 0.00 55.97 55.01 2pkr s LYS 248 Cb 0.09 -3.68 -0.11 0.00 -1.51 0.00 0.00 37.83 32.62 2pkr s LYS 248 CO 0.80 -0.22 1.19 1.63 -0.36 0.00 0.00 175.35 178.40 2pkr n LYS 249 N 5.08 1.80 -2.27 4.03 5.02 -1.26 -4.87 118.16 125.70 2pkr n LYS 249 Ca -0.14 0.64 -0.04 0.00 -2.02 0.00 0.00 58.31 56.75 2pkr n LYS 249 Cb 0.52 -2.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 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 -0.10 0.00 -4.06 -0.18 5.66 0.10 -5.02 114.28 110.68 2pkr n THR 250 Ca 0.07 -0.52 -0.08 0.00 -3.05 0.00 0.00 64.05 60.48 2pkr n THR 250 Cb 0.38 0.41 -0.10 0.00 -1.55 0.00 0.00 70.33 69.47 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 -5.49 0.51 0.23 1.09 -0.71 -1.26 -4.61 117.98 107.74 2pkr s PHE 251 Ca 0.08 -1.02 -0.09 0.00 -1.04 0.00 0.00 56.93 54.87 2pkr s PHE 251 Cb -0.01 -0.35 0.37 0.00 -1.21 0.00 0.00 43.02 41.82 2pkr s PHE 251 CO 0.06 -0.43 1.65 0.00 -1.34 0.00 0.00 175.22 175.17 2pkr h ALA 252 N 3.05 0.70 -0.32 1.99 0.00 -1.88 -1.88 119.26 120.92 2pkr h ALA 252 Ca -0.34 0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2pkr h ALA 252 Cb 1.16 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2pkr h ALA 252 CO 0.64 -0.40 -0.22 1.49 0.00 0.00 0.00 179.25 180.75 2pkr h GLU 253 N 0.12 0.62 -0.84 0.00 4.57 -1.96 -1.81 114.58 115.28 2pkr h GLU 253 Ca 0.37 -0.23 -0.03 0.00 -1.18 0.00 0.00 59.36 58.29 2pkr h GLU 253 Cb 0.62 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.14 2pkr h GLU 253 CO -0.60 0.79 0.41 1.49 -1.18 0.00 0.00 179.01 179.93 2pkr h GLU 254 N 0.54 1.20 -0.27 1.92 4.81 -1.78 0.67 114.58 121.67 2pkr h GLU 254 Ca 0.08 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2pkr h GLU 254 Cb 0.68 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2pkr h GLU 254 CO 0.05 0.92 0.12 0.28 -0.73 0.00 0.00 179.01 179.64 2pkr h VAL 255 N 1.19 1.16 -0.68 0.32 2.07 -1.20 -0.34 116.25 118.77 2pkr h VAL 255 Ca 0.29 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 2pkr h VAL 255 Cb 0.11 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2pkr h VAL 255 CO -0.04 0.17 0.39 0.78 0.02 0.00 0.00 177.57 178.89 2pkr h ASN 256 N 0.29 0.83 -0.87 0.57 -0.26 -1.06 -2.08 115.58 112.99 2pkr h ASN 256 Ca 0.09 -0.08 0.02 0.00 -0.56 0.00 0.00 56.30 55.77 2pkr h ASN 256 Cb 0.16 -0.21 -0.05 0.00 -1.06 0.00 0.00 38.32 37.16 2pkr h ASN 256 CO -0.01 0.67 0.57 0.00 -1.06 0.00 0.00 177.43 177.61 2pkr h ALA 257 N 1.19 1.12 -0.96 -0.83 0.00 -0.35 -0.82 119.26 118.63 2pkr h ALA 257 Ca 0.24 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2pkr h ALA 257 Cb 0.01 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.41 2pkr h ALA 257 CO -0.04 0.48 0.63 0.00 0.00 0.00 0.00 179.25 180.31 2pkr h ALA 258 N 1.34 1.37 -0.40 0.00 0.00 -0.48 -1.07 119.26 120.02 2pkr h ALA 258 Ca 0.33 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 2pkr h ALA 258 Cb -0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 2pkr h ALA 258 CO -0.09 0.54 -0.13 0.74 0.00 0.00 0.00 179.25 180.31 2pkr h PHE 259 N 1.22 0.91 -0.68 0.00 0.04 -0.70 -2.93 116.94 114.79 2pkr h PHE 259 Ca 0.37 -0.21 -0.05 0.00 2.80 0.00 0.00 57.97 60.88 2pkr h PHE 259 Cb -0.02 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 37.88 2pkr h PHE 259 CO -0.00 0.95 0.21 0.00 -0.60 0.00 0.00 178.31 178.87 2pkr h ARG 260 N 0.62 1.05 -0.10 1.51 3.08 -0.42 -0.31 114.38 119.80 2pkr h ARG 260 Ca 0.10 -0.21 0.04 0.00 0.07 0.00 0.00 59.98 59.98 2pkr h ARG 260 Cb 0.67 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 2pkr h ARG 260 CO 0.05 0.90 -0.19 0.93 -1.07 0.00 0.00 179.97 180.59 2pkr h GLU 261 N 1.01 -0.24 -0.78 0.04 5.08 -1.12 -0.22 114.58 118.35 2pkr h GLU 261 Ca 0.22 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 2pkr h GLU 261 Cb 0.28 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 2pkr h GLU 261 CO -0.01 -0.16 0.35 0.77 -1.00 0.00 0.00 179.01 178.96 2pkr h SER 262 N -0.25 1.04 -0.71 1.42 0.02 -1.34 -2.51 113.55 111.22 2pkr h SER 262 Ca 0.09 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.90 2pkr h SER 262 Cb 0.38 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 2pkr h SER 262 CO -0.25 0.90 0.47 0.00 -1.14 0.00 0.00 176.83 176.81 2pkr h ALA 263 N 1.18 1.50 -0.01 3.77 0.00 -0.27 0.35 119.26 125.78 2pkr h ALA 263 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2pkr h ALA 263 Cb 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2pkr h ALA 263 CO -0.03 0.47 -0.09 -0.25 0.00 0.00 0.00 179.25 179.35 2pkr n ASP 264 N -4.43 0.65 0.00 0.00 8.00 -0.17 -2.92 116.55 117.69 2pkr n ASP 264 Ca 0.08 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.73 2pkr n ASP 264 Cb 0.04 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 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 -0.71 0.00 0.31 -2.24 3.02 -0.58 -4.84 115.26 110.22 2pkr n ASN 265 Ca 0.17 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.91 2pkr n ASN 265 Cb 0.27 0.00 1.05 0.00 -0.61 0.00 0.00 39.78 40.50 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 -0.20 3.52 9.09 -1.79 -2.23 114.58 122.97 2pkr h GLU 266 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2pkr h GLU 266 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2pkr h GLU 266 CO 0.00 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.34 2pkr n LEU 267 N -3.38 3.48 -4.65 3.06 4.77 0.11 -4.99 117.00 115.39 2pkr n LEU 267 Ca -0.02 -2.99 -0.46 0.00 -0.03 0.00 0.00 56.01 52.51 2pkr n LEU 267 Cb 0.13 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.68 2pkr n LEU 267 CO 0.23 0.68 1.00 1.17 -1.33 0.00 0.00 177.39 179.14 2pkr n LYS 268 N -0.69 1.90 -0.68 3.23 4.81 -0.84 -0.12 118.16 125.76 2pkr n LYS 268 Ca 0.20 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 2pkr n LYS 268 Cb 0.81 -2.33 0.00 0.00 0.02 0.00 0.00 35.03 33.53 2pkr n LYS 268 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pkr n GLY 269 N 2.35 1.50 0.28 3.14 0.00 -1.26 -4.75 105.19 106.45 2pkr n GLY 269 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 0.13 -5.09 -0.61 2.08 0.83 -4.31 119.36 110.38 2pkr n ILE 270 Ca 0.00 -0.04 -0.28 0.00 0.56 0.00 0.00 62.75 62.98 2pkr n ILE 270 Cb 0.00 -0.86 -0.16 0.00 -0.75 0.00 0.00 39.64 37.87 2pkr n ILE 270 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2pkr s LEU 271 N -5.42 2.04 0.12 1.39 2.96 -0.32 -0.93 118.68 118.50 2pkr s LEU 271 Ca -0.03 -0.40 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 2pkr s LEU 271 Cb 0.01 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.52 2pkr s LEU 271 CO 0.05 0.26 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.80 2pkr s SER 272 N -0.47 1.55 -0.11 3.68 0.01 -0.36 -4.54 113.70 113.46 2pkr s SER 272 Ca 0.07 -0.91 0.01 0.00 1.31 0.00 0.00 55.95 56.43 2pkr s SER 272 Cb -0.09 0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.17 2pkr s SER 272 CO -0.00 -0.31 -0.12 -0.69 0.41 0.00 0.00 173.24 172.52 2pkr s VAL 273 N -2.91 1.32 -0.18 3.43 1.01 -1.26 -0.78 120.40 121.03 2pkr s VAL 273 Ca 0.10 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 2pkr s VAL 273 Cb 0.00 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 2pkr s VAL 273 CO -0.00 0.41 -0.03 0.00 0.00 0.00 0.00 175.10 175.48 2pkr n ASP 275 N 3.95 2.97 -4.83 0.00 8.00 -1.26 -2.11 116.55 123.27 2pkr n ASP 275 Ca -0.17 -1.90 -0.36 0.00 0.71 0.00 0.00 54.79 53.06 2pkr n ASP 275 Cb 0.52 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.46 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 -1.59 4.10 -1.30 -1.24 2.02 -1.26 -4.85 118.70 114.58 2pkr s GLU 276 Ca 0.29 0.65 -0.18 0.00 0.02 0.00 0.00 54.97 55.75 2pkr s GLU 276 Cb 0.19 -2.94 0.04 0.00 0.10 0.00 0.00 34.13 31.51 2pkr s GLU 276 CO 0.27 0.46 1.86 -0.35 0.02 0.00 0.00 175.26 177.52 2pkr n PRO 277 N 0.87 2.89 -2.98 0.39 -0.04 -1.26 -4.92 135.00 129.95 2pkr n PRO 277 Ca -0.05 -3.01 -0.17 0.00 -0.04 0.00 0.00 63.50 60.22 2pkr n PRO 277 Cb 0.51 -3.47 0.01 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 4.54 3.60 0.37 1.53 1.43 -1.26 -5.13 118.68 123.76 2pkr s LEU 278 Ca 0.54 -0.41 0.05 0.00 -1.03 0.00 0.00 54.13 53.29 2pkr s LEU 278 Cb 0.06 -2.63 -0.07 0.00 0.03 0.00 0.00 46.19 43.58 2pkr s LEU 278 CO 0.06 -0.82 0.04 0.68 0.23 0.00 0.00 176.35 176.54 2pkr s VAL 279 N -2.40 1.53 0.27 -1.59 -7.23 -1.26 -5.05 120.40 104.67 2pkr s VAL 279 Ca 0.56 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.68 2pkr s VAL 279 Cb -0.10 -2.86 0.35 0.00 0.56 0.00 0.00 36.38 34.33 2pkr s VAL 279 CO 0.34 0.00 1.60 0.77 -0.31 0.00 0.00 175.10 177.50 2pkr h SER 280 N 1.94 -0.49 -0.61 4.85 4.64 -1.98 -0.64 113.55 121.26 2pkr h SER 280 Ca -0.42 0.24 0.14 0.00 -0.47 0.00 0.00 61.79 61.28 2pkr h SER 280 Cb 1.24 0.44 -0.03 0.00 -0.31 0.00 0.00 62.40 63.74 2pkr h SER 280 CO 0.74 -0.27 0.42 -0.29 -0.87 0.00 0.00 176.83 176.57 2pkr h ILE 281 N 0.05 0.78 0.00 0.95 6.09 -1.97 -1.32 117.51 122.09 2pkr h ILE 281 Ca 0.49 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.91 2pkr h ILE 281 Cb 0.90 0.56 0.00 0.00 0.47 0.00 0.00 36.82 38.75 2pkr h ILE 281 CO -0.81 0.04 0.00 0.44 -3.07 0.00 0.00 178.15 174.74 2pkr h ASP 282 N 0.20 0.00 -0.32 2.19 3.32 -1.52 -2.70 116.42 117.59 2pkr h ASP 282 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 2pkr h ASP 282 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 2pkr h ASP 282 CO -0.05 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 177.96 2pkr n PHE 283 N -2.98 0.42 -1.98 4.55 3.72 -0.50 -4.94 117.46 115.74 2pkr n PHE 283 Ca -0.00 -0.21 -0.41 0.00 -0.05 0.00 0.00 57.45 56.78 2pkr n PHE 283 Cb 0.23 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.75 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 -1.58 4.25 -1.35 -1.08 0.52 -1.02 -3.15 118.95 115.53 2pkr s ARG 284 Ca 0.36 2.36 0.00 0.00 -0.52 0.00 0.00 55.73 57.93 2pkr s ARG 284 Cb 0.21 -3.05 0.00 0.00 0.52 0.00 0.00 34.95 32.63 2pkr s ARG 284 CO 0.29 -0.38 0.00 0.00 0.02 0.00 0.00 175.30 175.23 2pkr s THR 286 N -2.73 5.11 0.25 0.00 -4.23 -1.19 -4.96 115.64 107.90 2pkr s THR 286 Ca 0.00 1.22 0.19 0.00 -1.18 0.00 0.00 61.69 61.93 2pkr s THR 286 Cb 0.00 -3.94 0.16 0.00 1.34 0.00 0.00 72.50 70.06 2pkr s THR 286 CO 0.00 0.28 1.82 0.44 -0.54 0.00 0.00 174.62 176.62 2pkr h ASP 287 N 6.77 0.00 -3.92 3.99 3.32 -1.93 -3.34 116.42 121.31 2pkr h ASP 287 Ca -0.41 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.16 2pkr h ASP 287 Cb 1.19 0.00 0.18 0.00 0.22 0.00 0.00 39.33 40.91 2pkr h ASP 287 CO 0.76 0.32 0.18 0.68 -1.72 0.00 0.00 179.24 179.46 2pkr s VAL 288 N -3.83 2.36 -0.10 -1.35 -7.23 -1.26 -4.76 120.40 104.23 2pkr s VAL 288 Ca -0.01 0.12 0.15 0.00 -1.81 0.00 0.00 61.98 60.43 2pkr s VAL 288 Cb 0.12 -2.36 -0.13 0.00 0.56 0.00 0.00 36.38 34.57 2pkr s VAL 288 CO 0.67 -0.15 0.89 0.28 -0.31 0.00 0.00 175.10 176.48 2pkr h SER 289 N -1.91 0.00 -3.33 4.85 0.02 -1.26 -3.43 113.55 108.49 2pkr h SER 289 Ca -0.51 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.40 2pkr h SER 289 Cb 1.29 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.60 2pkr h SER 289 CO 0.50 0.67 -0.09 -0.55 -1.14 0.00 0.00 176.83 176.22 2pkr s SER 290 N -5.96 -0.73 -0.17 3.07 0.15 -0.90 -4.02 113.70 105.13 2pkr s SER 290 Ca -0.02 1.24 0.01 0.00 0.70 0.00 0.00 55.95 57.87 2pkr s SER 290 Cb 0.08 1.15 0.03 0.00 -1.71 0.00 0.00 66.02 65.58 2pkr s SER 290 CO 0.81 -0.22 -0.12 -0.89 1.20 0.00 0.00 173.24 174.02 2pkr s THR 291 N 1.21 1.63 0.08 6.45 2.01 -0.60 -1.22 115.64 125.19 2pkr s THR 291 Ca -0.07 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 60.80 2pkr s THR 291 Cb -0.06 -1.61 -0.06 0.00 0.01 0.00 0.00 72.50 70.79 2pkr s THR 291 CO -0.12 0.32 1.12 -0.63 -0.69 0.00 0.00 174.62 174.62 2pkr s ILE 292 N 1.43 4.17 -0.81 1.82 -1.09 0.04 0.86 121.20 127.63 2pkr s ILE 292 Ca 0.02 1.63 -0.18 0.00 -2.23 0.00 0.00 60.65 59.89 2pkr s ILE 292 Cb -0.14 -4.04 0.14 0.00 -1.58 0.00 0.00 42.46 36.83 2pkr s ILE 292 CO -0.10 0.17 0.93 -0.62 -1.23 0.00 0.00 174.94 174.10 2pkr s ASP 293 N 0.74 6.53 0.20 3.58 -1.08 -0.48 -0.36 116.67 125.80 2pkr s ASP 293 Ca 0.55 -1.99 -0.13 0.00 -0.52 0.00 0.00 52.55 50.46 2pkr s ASP 293 Cb -0.28 -2.33 0.23 0.00 -1.46 0.00 0.00 42.92 39.08 2pkr s ASP 293 CO 0.30 -0.99 1.65 0.77 0.52 0.00 0.00 175.17 177.43 2pkr h SER 294 N 8.71 -0.41 0.19 -0.34 4.64 -1.73 -2.08 113.55 122.54 2pkr h SER 294 Ca 0.01 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2pkr h SER 294 Cb 1.05 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2pkr h SER 294 CO 1.03 -0.15 0.00 -1.54 -0.87 0.00 0.00 176.83 175.29 2pkr n SER 295 N -5.34 0.26 0.01 4.97 3.41 -1.26 -2.00 113.62 113.67 2pkr n SER 295 Ca 0.07 0.60 0.11 0.00 -0.26 0.00 0.00 58.87 59.39 2pkr n SER 295 Cb 0.31 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 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 -1.83 0.72 -4.74 1.04 4.77 -0.78 -4.95 117.00 111.23 2pkr n LEU 296 Ca 0.00 -0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.34 2pkr n LEU 296 Cb 0.07 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 2pkr n LEU 296 CO 0.08 0.15 1.17 -0.89 -1.33 0.00 0.00 177.39 176.57 2pkr s THR 297 N -3.08 2.53 0.06 -5.08 2.01 -0.84 -4.75 115.64 106.48 2pkr s THR 297 Ca 0.07 0.42 0.02 0.00 0.31 0.00 0.00 61.69 62.51 2pkr s THR 297 Cb 0.16 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 2pkr s THR 297 CO 0.81 0.06 -0.08 -0.04 -0.69 0.00 0.00 174.62 174.68 2pkr s MET 298 N 0.05 0.64 -0.08 4.92 -1.94 -0.87 -4.84 119.30 117.18 2pkr s MET 298 Ca 0.63 -0.93 -0.01 0.00 -1.71 0.00 0.00 55.69 53.68 2pkr s MET 298 Cb -0.44 -0.33 0.03 0.00 2.01 0.00 0.00 34.83 36.10 2pkr s MET 298 CO 0.41 0.05 -0.02 0.08 -0.01 0.00 0.00 175.02 175.52 2pkr s VAL 299 N -1.95 0.55 -0.04 -6.03 1.01 -1.26 -0.42 120.40 112.26 2pkr s VAL 299 Ca -0.03 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.95 2pkr s VAL 299 Cb -0.06 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 2pkr s VAL 299 CO -0.01 0.28 -0.08 -0.04 0.00 0.00 0.00 175.10 175.25 2pkr s MET 300 N 1.74 2.64 -1.66 2.72 -1.94 0.01 -4.59 119.30 118.22 2pkr s MET 300 Ca 0.02 -0.63 0.00 0.00 -1.71 0.00 0.00 55.69 53.37 2pkr s MET 300 Cb -0.13 -2.52 0.00 0.00 2.01 0.00 0.00 34.83 34.19 2pkr s MET 300 CO -0.05 0.64 0.00 0.41 -0.01 0.00 0.00 175.02 176.01 2pkr n GLY 301 N 2.03 0.16 4.62 -0.03 0.00 -1.26 -1.16 105.19 109.55 2pkr n GLY 301 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2pkr n GLY 301 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pkr n ASP 302 N -1.68 0.00 0.00 1.61 8.00 -1.26 -4.49 116.55 118.72 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 0.64 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 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 0.86 -4.31 -2.24 5.68 -1.19 -0.72 116.55 114.76 2pkr n ASP 303 Ca 0.00 -1.13 -0.43 0.00 -0.50 0.00 0.00 54.79 52.72 2pkr n ASP 303 Cb 0.00 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 39.91 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 -0.13 2.81 -0.18 0.11 1.75 -0.31 -1.11 119.30 122.24 2pkr s MET 304 Ca 0.00 -1.57 -0.14 0.00 -1.25 0.00 0.00 55.69 52.74 2pkr s MET 304 Cb 0.00 -4.08 -0.05 0.00 2.84 0.00 0.00 34.83 33.54 2pkr s MET 304 CO 0.00 -1.14 0.29 0.08 -0.65 0.00 0.00 175.02 173.60 2pkr s VAL 305 N 1.53 5.29 -0.20 10.11 1.01 0.94 -0.81 120.40 138.27 2pkr s VAL 305 Ca 0.04 0.52 -0.03 0.00 0.00 0.00 0.00 61.98 62.51 2pkr s VAL 305 Cb -0.26 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 2pkr s VAL 305 CO 0.03 0.35 -0.06 -0.75 0.00 0.00 0.00 175.10 174.68 2pkr s LYS 306 N 0.73 3.40 -0.05 2.72 2.20 0.44 -1.41 119.74 127.77 2pkr s LYS 306 Ca 0.16 -0.63 0.07 0.00 -0.36 0.00 0.00 55.97 55.20 2pkr s LYS 306 Cb -0.13 -2.93 -0.01 0.00 -1.51 0.00 0.00 37.83 33.24 2pkr s LYS 306 CO 0.04 -0.09 -0.25 0.08 -0.36 0.00 0.00 175.35 174.78 2pkr s VAL 307 N 1.18 2.01 -0.18 4.02 1.01 0.89 -2.05 120.40 127.28 2pkr s VAL 307 Ca 0.02 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 2pkr s VAL 307 Cb -0.14 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 2pkr s VAL 307 CO -0.01 0.56 -0.05 -0.63 0.00 0.00 0.00 175.10 174.97 2pkr s ILE 308 N -0.28 3.54 -0.04 2.22 -1.09 -1.26 -0.71 121.20 123.59 2pkr s ILE 308 Ca 0.00 -0.46 0.02 0.00 -2.23 0.00 0.00 60.65 57.98 2pkr s ILE 308 Cb -0.13 -2.57 0.01 0.00 -1.58 0.00 0.00 42.46 38.20 2pkr s ILE 308 CO 0.02 0.46 -0.08 0.00 -1.23 0.00 0.00 174.94 174.12 2pkr s ALA 309 N 0.88 0.84 0.33 9.38 0.00 -0.39 -1.38 121.76 131.43 2pkr s ALA 309 Ca -0.01 -0.24 -0.08 0.00 0.00 0.00 0.00 51.96 51.63 2pkr s ALA 309 Cb -0.15 -0.39 -0.06 0.00 0.00 0.00 0.00 23.12 22.52 2pkr s ALA 309 CO 0.01 0.08 0.65 -1.58 0.00 0.00 0.00 175.76 174.93 2pkr s TRP 310 N 0.52 3.46 -0.27 0.00 0.52 0.25 -0.81 118.94 122.61 2pkr s TRP 310 Ca -0.08 0.87 -0.19 0.00 0.02 0.00 0.00 56.10 56.72 2pkr s TRP 310 Cb -0.12 -2.29 0.08 0.00 -1.15 0.00 0.00 33.47 29.99 2pkr s TRP 310 CO 0.01 0.06 0.68 1.52 0.02 0.00 0.00 176.95 179.25 2pkr s TYR 311 N -2.17 -0.95 -0.77 -1.98 1.13 -0.12 -1.55 117.35 110.94 2pkr s TYR 311 Ca 0.48 2.02 -0.26 0.00 -1.41 0.00 0.00 57.07 57.90 2pkr s TYR 311 Cb -0.11 0.50 0.03 0.00 -1.10 0.00 0.00 41.96 41.29 2pkr s TYR 311 CO 0.29 -0.47 1.28 0.34 -2.51 0.00 0.00 175.55 174.48 2pkr s ASP 312 N 1.21 6.20 0.56 -0.18 -1.08 -1.26 -0.29 116.67 121.82 2pkr s ASP 312 Ca -0.07 -0.58 0.24 0.00 -0.52 0.00 0.00 52.55 51.62 2pkr s ASP 312 Cb -0.05 -2.55 1.52 0.00 -1.46 0.00 0.00 42.92 40.38 2pkr s ASP 312 CO -0.13 -1.78 2.12 -0.55 0.52 0.00 0.00 175.17 175.35 2pkr h ASN 313 N 9.98 0.00 0.00 -0.34 -1.07 -1.92 -1.33 115.58 120.90 2pkr h ASN 313 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.14 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 1.29 0.00 -0.17 -0.33 0.07 0.00 0.00 177.43 178.29 2pkr h GLU 314 N 0.00 0.00 0.01 4.14 5.08 -1.98 -3.36 114.58 118.47 2pkr h GLU 314 Ca 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2pkr h GLU 314 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2pkr h GLU 314 CO -0.00 0.00 -0.00 2.35 -1.00 0.00 0.00 179.01 180.35 2pkr h TRP 315 N -0.44 -0.01 -0.47 4.33 2.91 -1.93 -1.52 115.95 118.81 2pkr h TRP 315 Ca 0.00 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 2pkr h TRP 315 Cb 0.17 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.80 2pkr h TRP 315 CO -0.07 0.33 0.22 0.78 -1.03 0.00 0.00 178.44 178.67 2pkr h GLY 316 N -0.36 0.71 1.03 2.65 0.00 -1.37 0.14 103.07 105.87 2pkr h GLY 316 Ca -0.00 -0.32 -0.16 0.00 0.00 0.00 0.00 47.33 46.85 2pkr h GLY 316 CO 0.00 0.31 -0.45 -1.82 0.00 0.00 0.00 176.54 174.58 2pkr h TYR 317 N 0.67 0.93 -0.42 5.60 3.20 -1.55 -2.86 116.97 122.54 2pkr h TYR 317 Ca 0.17 -0.33 -0.06 0.00 3.14 0.00 0.00 58.73 61.65 2pkr h TYR 317 Cb 0.08 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 2pkr h TYR 317 CO 0.01 1.12 0.02 0.77 -1.64 0.00 0.00 178.16 178.44 2pkr h SER 318 N 0.47 0.62 -0.03 -2.11 0.02 -0.40 0.19 113.55 112.32 2pkr h SER 318 Ca 0.01 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 2pkr h SER 318 Cb 1.06 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 2pkr h SER 318 CO 0.10 0.68 -0.05 1.56 -1.14 0.00 0.00 176.83 177.98 2pkr h GLN 319 N 0.63 0.21 -0.17 3.45 1.08 -0.66 -1.56 115.11 118.09 2pkr h GLN 319 Ca 0.13 -0.03 -0.16 0.00 -1.45 0.00 0.00 58.65 57.14 2pkr h GLN 319 Cb 0.36 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 2pkr h GLN 319 CO 0.01 0.28 -0.56 0.00 -0.95 0.00 0.00 178.83 177.61 2pkr h ARG 320 N 0.21 0.52 -0.53 1.46 2.47 -0.79 -1.17 114.38 116.55 2pkr h ARG 320 Ca 0.05 -0.34 -0.04 0.00 -1.26 0.00 0.00 59.98 58.39 2pkr h ARG 320 Cb 0.23 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 2pkr h ARG 320 CO 0.01 0.94 0.17 0.28 0.56 0.00 0.00 179.97 181.94 2pkr h VAL 321 N 0.40 1.23 -0.46 2.04 2.07 -0.55 0.10 116.25 121.07 2pkr h VAL 321 Ca 0.00 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2pkr h VAL 321 Cb 1.10 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2pkr h VAL 321 CO 0.10 0.28 0.31 0.58 0.02 0.00 0.00 177.57 178.86 2pkr h VAL 322 N 0.72 1.12 -0.63 2.57 2.07 -1.14 -0.89 116.25 120.08 2pkr h VAL 322 Ca 0.17 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.51 2pkr h VAL 322 Cb 0.26 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 2pkr h VAL 322 CO -0.01 0.12 0.37 0.44 0.02 0.00 0.00 177.57 178.51 2pkr h ASP 323 N 0.63 0.58 -0.31 0.57 3.32 -0.58 0.11 116.42 120.74 2pkr h ASP 323 Ca 0.17 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 2pkr h ASP 323 Cb -0.07 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2pkr h ASP 323 CO -0.04 0.40 -0.17 0.25 -1.72 0.00 0.00 179.24 177.96 2pkr h LEU 324 N 0.71 0.76 -0.79 1.55 5.85 -0.51 -1.88 115.31 121.01 2pkr h LEU 324 Ca 0.27 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 2pkr h LEU 324 Cb 0.09 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 2pkr h LEU 324 CO -0.14 0.93 0.39 0.00 -0.34 0.00 0.00 178.44 179.28 2pkr h ALA 325 N 1.14 1.02 -0.33 1.25 0.00 -0.37 -1.43 119.26 120.52 2pkr h ALA 325 Ca 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2pkr h ALA 325 Cb 0.66 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2pkr h ALA 325 CO 0.05 0.57 0.06 -0.44 0.00 0.00 0.00 179.25 179.49 2pkr h ASP 326 N 1.11 0.45 -0.26 0.00 5.19 -0.42 -1.56 116.42 120.94 2pkr h ASP 326 Ca 0.27 -0.06 -0.11 0.00 -0.62 0.00 0.00 57.03 56.51 2pkr h ASP 326 Cb 0.11 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.50 2pkr h ASP 326 CO -0.04 0.47 -0.28 0.40 -3.12 0.00 0.00 179.24 176.67 2pkr h ILE 327 N 0.48 1.31 -0.41 0.35 2.04 -0.57 -1.20 117.51 119.51 2pkr h ILE 327 Ca 0.11 -1.46 0.06 0.00 1.00 0.00 0.00 64.86 64.57 2pkr h ILE 327 Cb 0.22 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 2pkr h ILE 327 CO -0.00 0.46 0.11 0.58 0.00 0.00 0.00 178.15 179.30 2pkr h VAL 328 N 0.36 0.83 -0.80 1.67 2.07 -0.69 -0.98 116.25 118.71 2pkr h VAL 328 Ca 0.04 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 2pkr h VAL 328 Cb 0.85 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 2pkr h VAL 328 CO 0.07 0.05 0.33 0.00 0.02 0.00 0.00 177.57 178.04 2pkr h ALA 329 N 1.29 1.04 0.00 1.67 0.00 -1.23 -1.62 119.26 120.40 2pkr h ALA 329 Ca 0.19 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2pkr h ALA 329 Cb 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2pkr h ALA 329 CO -0.23 0.65 -0.24 -0.91 0.00 0.00 0.00 179.25 178.53 2pkr h ASN 330 N 1.16 0.00 -0.54 0.00 -0.26 -0.55 -2.97 115.58 112.42 2pkr h ASN 330 Ca 0.27 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.01 2pkr h ASN 330 Cb 0.20 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 2pkr h ASN 330 CO -0.02 0.24 0.00 0.29 -1.06 0.00 0.00 177.43 176.87 2pkr n LYS 331 N -3.44 3.00 -1.88 0.81 5.02 -0.44 -5.01 118.16 116.23 2pkr n LYS 331 Ca -0.00 -2.49 -0.41 0.00 -2.02 0.00 0.00 58.31 53.39 2pkr n LYS 331 Cb 0.42 -1.54 -0.01 0.00 -0.02 0.00 0.00 35.03 33.89 2pkr n LYS 331 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 2pkr s TRP 332 N -1.30 2.72 -0.24 2.13 -0.11 -0.65 -4.54 118.94 116.96 2pkr s TRP 332 Ca 0.39 1.17 -0.04 0.00 1.22 0.00 0.00 56.10 58.84 2pkr s TRP 332 Cb 0.22 -3.95 0.00 0.00 -1.50 0.00 0.00 33.47 28.25 2pkr s TRP 332 CO 0.23 -2.81 -0.02 -0.65 -4.62 0.00 0.00 176.95 169.08 2pkr s GLN 333 N -1.76 3.18 0.00 5.86 -0.21 -1.26 -5.09 119.66 120.39 2pkr s GLN 333 Ca 0.53 -0.76 0.00 0.00 0.02 0.00 0.00 55.36 55.15 2pkr s GLN 333 Cb -0.45 -3.09 0.00 0.00 1.00 0.00 0.00 33.01 30.47 2pkr s GLN 333 CO 0.58 -0.30 0.00 0.41 -2.12 0.00 0.00 175.29 173.86