#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 3.27 -0.31 3.14 2.96 -0.97 -4.95 118.68 121.83 2pkr s LEU 1 Ca 0.00 0.22 -0.29 0.00 -0.22 0.00 0.00 54.13 53.84 2pkr s LEU 1 Cb 0.00 -2.57 -0.00 0.00 0.50 0.00 0.00 46.19 44.12 2pkr s LEU 1 CO 0.00 -2.25 1.38 -0.54 -1.32 0.00 0.00 176.35 173.62 2pkr s LYS 2 N 6.74 3.82 -0.01 1.98 1.02 -1.26 -1.25 119.74 130.78 2pkr s LYS 2 Ca 0.61 1.25 0.03 0.00 0.02 0.00 0.00 55.97 57.88 2pkr s LYS 2 Cb -0.12 -3.94 -0.03 0.00 -0.52 0.00 0.00 37.83 33.22 2pkr s LYS 2 CO 0.20 -1.25 -0.06 0.08 -0.92 0.00 0.00 175.35 173.40 2pkr s VAL 3 N 4.76 3.71 -0.02 3.17 1.01 0.05 -0.93 120.40 132.16 2pkr s VAL 3 Ca 0.60 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.93 2pkr s VAL 3 Cb -0.17 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 2pkr s VAL 3 CO 0.26 0.42 -0.19 0.00 0.00 0.00 0.00 175.10 175.59 2pkr s ALA 4 N -0.98 1.61 -0.22 5.51 0.00 -0.35 -1.66 121.76 125.67 2pkr s ALA 4 Ca 0.17 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.24 2pkr s ALA 4 Cb -0.11 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 2pkr s ALA 4 CO 0.07 0.39 0.04 0.42 0.00 0.00 0.00 175.76 176.67 2pkr s ILE 5 N -0.42 4.18 -0.35 0.00 1.01 -0.55 -0.43 121.20 124.64 2pkr s ILE 5 Ca 0.07 -0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.43 2pkr s ILE 5 Cb -0.08 -2.92 0.05 0.00 0.01 0.00 0.00 42.46 39.52 2pkr s ILE 5 CO -0.01 0.39 0.13 0.21 0.00 0.00 0.00 174.94 175.66 2pkr s ASN 6 N 1.23 5.35 0.00 3.58 2.47 -0.40 -0.11 114.94 127.06 2pkr s ASN 6 Ca 0.04 -1.24 0.00 0.00 0.42 0.00 0.00 52.86 52.08 2pkr s ASN 6 Cb -0.15 -1.88 0.00 0.00 -1.45 0.00 0.00 41.25 37.77 2pkr s ASN 6 CO 0.02 -0.36 0.00 0.61 -3.72 0.00 0.00 177.10 173.65 2pkr n GLY 7 N 4.81 0.17 2.56 1.21 0.00 -0.73 -1.05 105.19 112.16 2pkr n GLY 7 Ca -0.12 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 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 0.76 2.57 -0.86 1.61 7.35 -1.25 -4.15 117.46 123.49 2pkr n PHE 8 Ca 0.00 -2.61 0.00 0.00 -0.76 0.00 0.00 57.45 54.08 2pkr n PHE 8 Cb 0.00 -1.54 0.00 0.00 0.35 0.00 0.00 39.48 38.29 2pkr n PHE 8 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2pkr n GLY 9 N 0.90 1.67 0.18 7.13 0.00 -1.26 -4.55 105.19 109.25 2pkr n GLY 9 Ca 0.55 -1.83 -0.05 0.00 0.00 0.00 0.00 46.02 44.70 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 0.25 -0.10 1.61 2.47 -1.92 0.35 114.38 117.05 2pkr h ARG 10 Ca 0.00 -0.02 -0.20 0.00 -1.26 0.00 0.00 59.98 58.50 2pkr h ARG 10 Cb 0.00 -0.06 0.01 0.00 -1.65 0.00 0.00 29.97 28.28 2pkr h ARG 10 CO 0.00 0.17 -0.74 0.82 0.56 0.00 0.00 179.97 180.78 2pkr h ILE 11 N 0.26 1.32 -0.31 2.04 1.08 -1.92 -1.02 117.51 118.96 2pkr h ILE 11 Ca 0.20 -1.99 0.05 0.00 -0.39 0.00 0.00 64.86 62.72 2pkr h ILE 11 Cb 0.22 2.18 -0.04 0.00 -3.07 0.00 0.00 36.82 36.11 2pkr h ILE 11 CO -0.24 0.62 0.05 1.23 -0.69 0.00 0.00 178.15 179.11 2pkr h GLY 12 N 0.33 0.34 1.89 5.37 0.00 -1.64 0.32 103.07 109.68 2pkr h GLY 12 Ca -0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 47.33 47.12 2pkr h GLY 12 CO 0.15 -0.03 -0.62 3.21 0.00 0.00 0.00 176.54 179.26 2pkr h ARG 13 N 0.15 0.11 -0.19 4.80 3.08 -0.30 -2.14 114.38 119.89 2pkr h ARG 13 Ca 0.15 -0.08 -0.22 0.00 0.07 0.00 0.00 59.98 59.90 2pkr h ARG 13 Cb 0.17 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.24 2pkr h ARG 13 CO -0.21 0.69 -0.73 -0.91 -1.07 0.00 0.00 179.97 177.74 2pkr h ASN 14 N 0.08 0.96 0.05 7.04 2.35 -0.84 -2.34 115.58 122.89 2pkr h ASN 14 Ca -0.01 -0.61 0.02 0.00 -0.55 0.00 0.00 56.30 55.16 2pkr h ASN 14 Cb 1.10 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 39.16 2pkr h ASN 14 CO 0.09 1.41 -0.18 0.15 -1.65 0.00 0.00 177.43 177.25 2pkr h PHE 15 N 0.58 -0.47 -0.40 1.19 3.57 -0.20 0.40 116.94 121.60 2pkr h PHE 15 Ca -0.04 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.51 2pkr h PHE 15 Cb 1.36 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 40.26 2pkr h PHE 15 CO 0.08 -0.26 0.17 1.25 -2.23 0.00 0.00 178.31 177.32 2pkr h LEU 16 N -0.32 0.21 -1.04 0.59 6.46 -1.39 0.62 115.31 120.44 2pkr h LEU 16 Ca 0.04 0.03 -0.07 0.00 -0.12 0.00 0.00 57.88 57.76 2pkr h LEU 16 Cb 0.37 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 2pkr h LEU 16 CO -0.13 0.16 -0.06 0.03 -0.62 0.00 0.00 178.44 177.82 2pkr h ARG 17 N 0.35 0.62 0.13 1.25 3.08 -0.94 0.14 114.38 119.02 2pkr h ARG 17 Ca 0.18 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2pkr h ARG 17 Cb 0.13 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2pkr h ARG 17 CO -0.16 0.68 -0.06 0.00 -1.07 0.00 0.00 179.97 179.36 2pkr h TRP 18 N -0.32 0.55 -0.45 0.00 7.01 -0.54 -1.74 115.95 120.45 2pkr h TRP 18 Ca -0.02 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.06 2pkr h TRP 18 Cb 0.26 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.14 2pkr h TRP 18 CO -0.02 0.22 0.30 1.25 -2.79 0.00 0.00 178.44 177.40 2pkr h HIS 18 N 0.55 0.39 -0.00 2.65 2.76 -0.50 -1.69 115.15 119.31 2pkr h HIS 18 Ca 0.29 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 2pkr h HIS 18 Cb 0.26 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.09 2pkr h HIS 18 CO -0.11 0.22 -0.03 0.41 -1.30 0.00 0.00 177.93 177.11 2pkr n GLY 19 N -1.51 -1.39 3.82 5.26 0.00 -0.67 -4.86 105.19 105.84 2pkr n GLY 19 Ca 0.06 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.83 4.11 -0.10 1.61 1.81 -0.64 -5.07 118.95 117.84 2pkr s ARG 20 Ca 0.19 1.15 -0.04 0.00 -1.72 0.00 0.00 55.73 55.31 2pkr s ARG 20 Cb 0.19 -2.16 -0.04 0.00 -0.45 0.00 0.00 34.95 32.50 2pkr s ARG 20 CO 0.51 -0.14 0.08 0.15 -0.68 0.00 0.00 175.30 175.22 2pkr s LYS 21 N -3.28 3.23 -1.15 3.54 -0.14 -1.26 -4.58 119.74 116.10 2pkr s LYS 21 Ca 0.63 -0.26 -0.22 0.00 -1.36 0.00 0.00 55.97 54.75 2pkr s LYS 21 Cb -0.11 -3.01 -0.00 0.00 -1.68 0.00 0.00 37.83 33.03 2pkr s LYS 21 CO 0.16 0.74 0.78 -3.47 -0.76 0.00 0.00 175.35 172.80 2pkr n ASP 22 N 2.00 -5.12 -4.74 2.83 -0.08 -1.26 -4.92 116.55 105.26 2pkr n ASP 22 Ca -0.19 -1.04 -0.41 0.00 -1.51 0.00 0.00 54.79 51.64 2pkr n ASP 22 Cb 0.54 -3.23 -0.05 0.00 2.34 0.00 0.00 41.12 40.73 2pkr n ASP 22 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2pkr s SER 23 N -3.49 7.56 0.00 1.67 0.15 -1.26 -4.91 113.70 113.41 2pkr s SER 23 Ca 0.47 1.85 0.17 0.00 0.70 0.00 0.00 55.95 59.14 2pkr s SER 23 Cb -0.18 -2.59 0.89 0.00 -1.71 0.00 0.00 66.02 62.43 2pkr s SER 23 CO 0.87 0.04 1.59 -0.81 1.20 0.00 0.00 173.24 176.14 2pkr n PRO 24 N 2.19 1.24 -4.40 5.44 -0.04 -1.26 -4.81 135.00 133.35 2pkr n PRO 24 Ca 0.00 -0.36 -0.34 0.00 -0.04 0.00 0.00 63.50 62.77 2pkr n PRO 24 Cb 0.48 -1.30 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 2pkr n PRO 24 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2pkr s LEU 25 N -1.51 3.44 -0.30 1.53 1.43 -1.26 -2.28 118.68 119.73 2pkr s LEU 25 Ca 0.27 0.04 -0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2pkr s LEU 25 Cb 0.13 -1.86 0.10 0.00 0.03 0.00 0.00 46.19 44.59 2pkr s LEU 25 CO 0.21 0.34 0.08 -0.62 0.23 0.00 0.00 176.35 176.59 2pkr s ASP 26 N -1.12 4.07 -0.54 2.29 2.15 -0.38 -4.91 116.67 118.22 2pkr s ASP 26 Ca 0.15 -1.65 -0.28 0.00 0.43 0.00 0.00 52.55 51.21 2pkr s ASP 26 Cb -0.11 -0.97 0.02 0.00 -0.30 0.00 0.00 42.92 41.56 2pkr s ASP 26 CO 0.05 -0.40 1.26 -0.69 -0.17 0.00 0.00 175.17 175.23 2pkr s VAL 27 N 1.52 3.97 -0.43 1.11 1.01 -1.26 -0.77 120.40 125.55 2pkr s VAL 27 Ca 0.09 0.90 0.17 0.00 0.00 0.00 0.00 61.98 63.13 2pkr s VAL 27 Cb -0.18 -4.59 -0.23 0.00 0.00 0.00 0.00 36.38 31.39 2pkr s VAL 27 CO -0.21 -1.19 0.56 1.33 0.00 0.00 0.00 175.10 175.59 2pkr n VAL 28 N 6.79 0.00 -3.69 2.92 0.24 -0.66 -4.85 118.33 119.07 2pkr n VAL 28 Ca 0.11 -0.24 -0.14 0.00 -2.04 0.00 0.00 64.34 62.02 2pkr n VAL 28 Cb 0.49 0.57 -0.08 0.00 -1.47 0.00 0.00 33.84 33.36 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 -2.89 0.04 -0.04 3.34 0.11 -1.23 -1.26 120.40 118.48 2pkr s VAL 29 Ca 0.00 -0.37 0.02 0.00 -2.93 0.00 0.00 61.98 58.70 2pkr s VAL 29 Cb 0.12 -0.75 0.01 0.00 -1.53 0.00 0.00 36.38 34.23 2pkr s VAL 29 CO 0.71 -0.20 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.57 2pkr s ILE 30 N -1.46 0.74 -0.49 7.04 1.01 0.72 -1.48 121.20 127.28 2pkr s ILE 30 Ca -0.12 -0.30 -0.14 0.00 0.00 0.00 0.00 60.65 60.09 2pkr s ILE 30 Cb -0.03 -0.69 0.10 0.00 0.01 0.00 0.00 42.46 41.85 2pkr s ILE 30 CO 0.05 0.25 0.41 0.21 0.00 0.00 0.00 174.94 175.85 2pkr s ASN 31 N 0.45 6.02 -0.34 3.58 2.47 0.84 -0.58 114.94 127.39 2pkr s ASN 31 Ca -0.07 -1.60 0.04 0.00 0.42 0.00 0.00 52.86 51.64 2pkr s ASN 31 Cb -0.11 -2.14 0.10 0.00 -1.45 0.00 0.00 41.25 37.65 2pkr s ASN 31 CO 0.01 -0.71 0.05 -0.62 -3.72 0.00 0.00 177.10 172.10 2pkr s ASP 32 N 2.90 4.71 0.60 -4.21 -1.08 -0.26 -1.77 116.67 117.55 2pkr s ASP 32 Ca 0.04 -2.10 0.32 0.00 -0.52 0.00 0.00 52.55 50.28 2pkr s ASP 32 Cb -0.26 -1.57 1.72 0.00 -1.46 0.00 0.00 42.92 41.34 2pkr s ASP 32 CO 0.04 -0.38 1.96 0.71 0.52 0.00 0.00 175.17 178.01 2pkr h THR 33 N 6.61 0.00 0.00 1.71 1.35 -1.92 -0.78 112.91 119.88 2pkr h THR 33 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 2pkr h THR 33 Cb 1.02 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 2pkr h THR 33 CO 0.51 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 2pkr n GLY 34 N -1.19 -1.58 0.00 5.82 0.00 -1.26 -4.97 105.19 102.01 2pkr n GLY 34 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2pkr n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pkr n GLY 36 N 1.16 1.54 0.21 -0.02 0.00 -0.30 -4.47 105.19 103.30 2pkr n GLY 36 Ca 0.05 -1.99 -0.15 0.00 0.00 0.00 0.00 46.02 43.94 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 0.67 -0.37 1.61 2.07 -1.86 -1.45 116.25 116.92 2pkr h VAL 37 Ca 0.00 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.49 2pkr h VAL 37 Cb 0.00 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 2pkr h VAL 37 CO 0.00 0.02 0.01 0.11 0.02 0.00 0.00 177.57 177.73 2pkr h LYS 38 N -0.52 0.11 -0.54 1.57 1.79 -1.93 -0.46 116.57 116.59 2pkr h LYS 38 Ca -0.05 -0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.44 2pkr h LYS 38 Cb 0.39 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 2pkr h LYS 38 CO 0.08 0.07 0.33 0.37 -1.08 0.00 0.00 179.45 179.22 2pkr h GLN 39 N 0.11 0.65 -0.66 3.15 4.15 -1.77 -0.37 115.11 120.36 2pkr h GLN 39 Ca 0.18 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 2pkr h GLN 39 Cb 0.24 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 2pkr h GLN 39 CO -0.29 0.43 0.31 0.00 -1.93 0.00 0.00 178.83 177.35 2pkr h ALA 40 N 1.23 0.85 0.14 3.38 0.00 -0.38 -1.13 119.26 123.35 2pkr h ALA 40 Ca 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2pkr h ALA 40 Cb -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2pkr h ALA 40 CO -0.08 0.41 -0.07 1.03 0.00 0.00 0.00 179.25 180.55 2pkr h SER 41 N 0.91 -0.16 0.16 0.00 0.87 -0.80 -2.61 113.55 111.92 2pkr h SER 41 Ca 0.23 -0.23 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2pkr h SER 41 Cb 0.12 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 2pkr h SER 41 CO -0.03 0.14 -0.19 -0.74 -0.53 0.00 0.00 176.83 175.49 2pkr h HIS 42 N -0.48 -0.50 0.00 2.24 6.17 -0.94 -1.37 115.15 120.28 2pkr h HIS 42 Ca -0.02 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 2pkr h HIS 42 Cb 0.38 0.20 0.00 0.00 2.52 0.00 0.00 27.41 30.51 2pkr h HIS 42 CO 0.02 -0.28 0.00 1.28 0.71 0.00 0.00 177.93 179.65 2pkr n LEU 43 N -5.32 0.49 0.09 0.26 4.77 -0.44 -0.86 117.00 115.99 2pkr n LEU 43 Ca -0.07 0.60 -0.23 0.00 -0.03 0.00 0.00 56.01 56.28 2pkr n LEU 43 Cb 0.23 -0.52 -0.15 0.00 -2.33 0.00 0.00 43.42 40.65 2pkr n LEU 43 CO 0.29 -0.40 -0.27 0.25 -1.33 0.00 0.00 177.39 175.93 2pkr h LEU 44 N 0.00 0.64 0.08 2.23 5.85 -1.05 -3.38 115.31 119.68 2pkr h LEU 44 Ca 0.00 -0.92 -0.00 0.00 0.84 0.00 0.00 57.88 57.79 2pkr h LEU 44 Cb 0.40 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.22 2pkr h LEU 44 CO 0.00 1.65 -0.04 0.50 -0.34 0.00 0.00 178.44 180.21 2pkr h LYS 45 N -0.06 -0.11 -5.28 1.25 1.63 -0.84 -3.41 116.57 109.76 2pkr h LYS 45 Ca -0.26 0.01 -0.61 0.00 -0.85 0.00 0.00 60.65 58.94 2pkr h LYS 45 Cb 1.97 0.02 -0.14 0.00 -0.60 0.00 0.00 32.23 33.48 2pkr h LYS 45 CO 0.19 0.38 -0.53 0.71 -3.45 0.00 0.00 179.45 176.75 2pkr s TYR 46 N -3.96 3.32 -0.10 1.91 2.02 -0.04 -0.03 117.35 120.46 2pkr s TYR 46 Ca -0.15 0.18 -0.03 0.00 -0.37 0.00 0.00 57.07 56.70 2pkr s TYR 46 Cb 0.01 -2.11 0.05 0.00 -0.40 0.00 0.00 41.96 39.51 2pkr s TYR 46 CO 0.61 0.21 0.16 0.34 -1.57 0.00 0.00 175.55 175.30 2pkr s ASP 47 N 0.36 0.95 0.66 2.29 -1.08 -1.21 -4.49 116.67 114.15 2pkr s ASP 47 Ca 0.05 0.20 0.36 0.00 -0.52 0.00 0.00 52.55 52.64 2pkr s ASP 47 Cb -0.12 0.24 1.97 0.00 -1.46 0.00 0.00 42.92 43.55 2pkr s ASP 47 CO -0.01 -0.26 2.14 0.28 0.52 0.00 0.00 175.17 177.84 2pkr h SER 48 N 8.37 0.00 0.00 -0.34 0.02 -1.95 0.15 113.55 119.79 2pkr h SER 48 Ca -0.14 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.55 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 0.17 0.00 -1.96 -0.38 -1.14 0.00 0.00 176.83 173.52 2pkr n ILE 49 N -3.10 0.96 0.26 3.27 5.41 -1.26 -4.68 119.36 120.21 2pkr n ILE 49 Ca -0.02 -0.33 0.12 0.00 1.00 0.00 0.00 62.75 63.52 2pkr n ILE 49 Cb 0.25 -1.26 0.08 0.00 -0.71 0.00 0.00 39.64 38.00 2pkr n ILE 49 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2pkr h LEU 50 N -0.17 0.00 0.00 1.39 3.38 -1.96 -3.50 115.31 114.45 2pkr h LEU 50 Ca -0.39 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2pkr h LEU 50 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 2pkr h LEU 50 CO -0.11 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.06 2pkr n GLY 51 N 1.21 -0.11 3.74 0.83 0.00 0.51 -4.89 105.19 106.48 2pkr n GLY 51 Ca 0.02 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.12 3.41 0.06 2.61 2.01 -1.26 -3.28 115.64 118.07 2pkr s THR 52 Ca 0.00 1.16 -0.31 0.00 0.31 0.00 0.00 61.69 62.86 2pkr s THR 52 Cb 0.00 -3.74 -0.08 0.00 0.01 0.00 0.00 72.50 68.69 2pkr s THR 52 CO 0.00 0.18 1.61 0.12 -0.69 0.00 0.00 174.62 175.84 2pkr s PHE 53 N 0.08 2.52 -1.40 4.92 5.36 0.95 -4.90 117.98 125.51 2pkr s PHE 53 Ca 0.55 0.41 -0.13 0.00 -0.96 0.00 0.00 56.93 56.80 2pkr s PHE 53 Cb -0.34 -3.92 0.08 0.00 -0.34 0.00 0.00 43.02 38.50 2pkr s PHE 53 CO 0.37 -3.64 2.11 -3.47 -1.46 0.00 0.00 175.22 169.13 2pkr n ASP 54 N 5.48 4.26 -3.52 6.13 2.03 -1.26 -4.82 116.55 124.84 2pkr n ASP 54 Ca 0.15 -2.92 -0.11 0.00 0.52 0.00 0.00 54.79 52.44 2pkr n ASP 54 Cb 0.41 -1.61 -0.04 0.00 -0.72 0.00 0.00 41.12 39.16 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 2.46 -1.84 -0.51 -1.67 0.00 -1.26 -5.11 121.76 113.83 2pkr s ALA 55 Ca 0.45 1.22 -0.29 0.00 0.00 0.00 0.00 51.96 53.35 2pkr s ALA 55 Cb 0.12 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.26 2pkr s ALA 55 CO -0.06 -0.51 1.25 0.34 0.00 0.00 0.00 175.76 176.78 2pkr s ASP 56 N -1.82 6.45 -0.10 0.00 -1.08 -1.26 -4.87 116.67 113.98 2pkr s ASP 56 Ca -0.00 0.40 0.03 0.00 -0.52 0.00 0.00 52.55 52.46 2pkr s ASP 56 Cb -0.01 -2.55 -0.01 0.00 -1.46 0.00 0.00 42.92 38.90 2pkr s ASP 56 CO -0.03 -1.42 -0.20 -0.69 0.52 0.00 0.00 175.17 173.35 2pkr s VAL 57 N 5.02 2.44 0.22 1.11 1.01 -1.26 0.42 120.40 129.37 2pkr s VAL 57 Ca 0.50 -0.89 -0.20 0.00 0.00 0.00 0.00 61.98 61.38 2pkr s VAL 57 Cb -0.09 -1.97 0.04 0.00 0.00 0.00 0.00 36.38 34.36 2pkr s VAL 57 CO 0.29 0.55 0.62 -1.59 0.00 0.00 0.00 175.10 174.97 2pkr s LYS 58 N 0.24 1.50 0.44 2.72 -2.85 -0.95 -5.01 119.74 115.83 2pkr s LYS 58 Ca -0.13 -0.79 -0.19 0.00 -1.00 0.00 0.00 55.97 53.86 2pkr s LYS 58 Cb -0.16 0.57 -0.10 0.00 -2.06 0.00 0.00 37.83 36.08 2pkr s LYS 58 CO 0.07 -0.66 0.93 0.95 0.10 0.00 0.00 175.35 176.74 2pkr s THR 59 N -3.85 4.47 -0.54 3.79 -4.23 -1.26 -1.25 115.64 112.76 2pkr s THR 59 Ca 0.07 1.33 0.04 0.00 -1.18 0.00 0.00 61.69 61.96 2pkr s THR 59 Cb -0.03 -3.64 0.17 0.00 1.34 0.00 0.00 72.50 70.34 2pkr s THR 59 CO -0.02 -0.42 0.39 0.00 -0.54 0.00 0.00 174.62 174.03 2pkr s ALA 60 N -2.30 2.54 0.00 3.99 0.00 0.28 -4.74 121.76 121.53 2pkr s ALA 60 Ca 0.60 -3.07 0.00 0.00 0.00 0.00 0.00 51.96 49.49 2pkr s ALA 60 Cb -0.09 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.15 2pkr s ALA 60 CO 0.19 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.32 2pkr n GLY 60 N 2.55 -2.05 0.65 0.00 0.00 -1.26 -3.11 105.19 101.97 2pkr n GLY 60 Ca 0.23 -2.07 0.12 0.00 0.00 0.00 0.00 46.02 44.30 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 0.00 2.23 -1.12 1.61 8.00 -1.26 -4.53 116.55 121.48 2pkr n ASP 61 Ca 0.00 -1.63 0.02 0.00 0.71 0.00 0.00 54.79 53.89 2pkr n ASP 61 Cb 0.00 0.20 0.01 0.00 -0.02 0.00 0.00 41.12 41.30 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 0.46 0.48 -3.52 -2.24 3.41 -1.26 -4.78 113.62 106.18 2pkr n SER 62 Ca 0.13 -1.95 -0.09 0.00 -0.26 0.00 0.00 58.87 56.70 2pkr n SER 62 Cb 0.49 -0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 64.22 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 0.00 -1.75 0.12 7.33 0.00 -1.18 -1.13 121.76 125.14 2pkr s ALA 63 Ca 0.19 0.80 0.03 0.00 0.00 0.00 0.00 51.96 52.98 2pkr s ALA 63 Cb 0.22 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 2pkr s ALA 63 CO -0.10 -0.75 -0.08 0.96 0.00 0.00 0.00 175.76 175.80 2pkr s ILE 64 N -3.27 0.87 -0.01 0.00 -4.36 -0.75 0.99 121.20 114.68 2pkr s ILE 64 Ca 0.05 -1.98 0.04 0.00 -0.26 0.00 0.00 60.65 58.50 2pkr s ILE 64 Cb -0.01 -1.74 -0.01 0.00 1.25 0.00 0.00 42.46 41.95 2pkr s ILE 64 CO -0.08 -0.82 -0.13 -0.94 0.24 0.00 0.00 174.94 173.21 2pkr s SER 65 N -3.08 1.52 -0.25 4.36 1.04 -0.38 0.91 113.70 117.83 2pkr s SER 65 Ca 0.13 -0.24 0.03 0.00 0.48 0.00 0.00 55.95 56.36 2pkr s SER 65 Cb 0.04 -0.19 0.05 0.00 0.10 0.00 0.00 66.02 66.02 2pkr s SER 65 CO -0.03 0.15 -0.12 -0.69 0.98 0.00 0.00 173.24 173.53 2pkr s VAL 66 N -0.26 2.13 -1.53 5.02 1.01 0.20 -2.23 120.40 124.74 2pkr s VAL 66 Ca 0.04 -1.51 -0.11 0.00 0.00 0.00 0.00 61.98 60.39 2pkr s VAL 66 Cb -0.05 -2.20 0.08 0.00 0.00 0.00 0.00 36.38 34.21 2pkr s VAL 66 CO -0.00 0.06 0.82 0.47 0.00 0.00 0.00 175.10 176.44 2pkr n ASP 67 N 4.47 -3.32 0.00 3.32 8.00 0.17 -1.33 116.55 127.86 2pkr n ASP 67 Ca -0.15 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.47 2pkr n ASP 67 Cb 0.43 -3.50 0.00 0.00 -0.02 0.00 0.00 41.12 38.03 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 -1.64 3.15 3.67 0.44 0.00 -1.26 -5.01 105.19 104.54 2pkr n GLY 68 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.41 4.29 -0.01 1.61 2.20 -0.44 -4.98 119.74 122.00 2pkr s LYS 69 Ca 0.00 1.37 -0.25 0.00 -0.36 0.00 0.00 55.97 56.73 2pkr s LYS 69 Cb 0.00 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 2pkr s LYS 69 CO 0.00 -0.56 0.78 0.08 -0.36 0.00 0.00 175.35 175.28 2pkr s VAL 70 N 2.95 4.88 -0.17 4.02 1.01 -1.26 -0.62 120.40 131.20 2pkr s VAL 70 Ca 0.45 1.63 0.01 0.00 0.00 0.00 0.00 61.98 64.07 2pkr s VAL 70 Cb -0.16 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.13 2pkr s VAL 70 CO 0.09 0.29 -0.14 -0.63 0.00 0.00 0.00 175.10 174.70 2pkr s ILE 71 N 0.45 1.68 0.61 2.22 1.01 0.26 -4.94 121.20 122.49 2pkr s ILE 71 Ca 0.40 -0.79 -0.19 0.00 0.00 0.00 0.00 60.65 60.07 2pkr s ILE 71 Cb -0.20 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 2pkr s ILE 71 CO 0.22 0.39 1.32 1.17 0.00 0.00 0.00 174.94 178.04 2pkr n LYS 72 N 4.72 1.32 -3.83 2.79 3.00 -0.39 -1.81 118.16 123.96 2pkr n LYS 72 Ca -0.17 0.50 -0.26 0.00 -0.00 0.00 0.00 58.31 58.39 2pkr n LYS 72 Cb 0.49 -2.55 -0.17 0.00 0.00 0.00 0.00 35.03 32.80 2pkr n LYS 72 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2pkr s VAL 73 N -1.35 0.72 0.46 3.15 1.01 -0.28 -0.20 120.40 123.91 2pkr s VAL 73 Ca 0.79 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.62 2pkr s VAL 73 Cb -0.39 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 2pkr s VAL 73 CO 0.43 0.22 0.16 0.68 0.00 0.00 0.00 175.10 176.59 2pkr s VAL 74 N 1.82 1.85 -0.25 2.92 -7.23 0.26 -4.57 120.40 115.21 2pkr s VAL 74 Ca 0.04 -1.77 -0.02 0.00 -1.81 0.00 0.00 61.98 58.41 2pkr s VAL 74 Cb -0.13 -2.63 0.12 0.00 0.56 0.00 0.00 36.38 34.30 2pkr s VAL 74 CO -0.07 0.00 0.29 -0.55 -0.31 0.00 0.00 175.10 174.46 2pkr s SER 75 N -3.94 1.25 -0.27 4.85 0.15 -1.26 -1.10 113.70 113.37 2pkr s SER 75 Ca 0.30 -0.35 -0.12 0.00 0.70 0.00 0.00 55.95 56.48 2pkr s SER 75 Cb 0.03 0.60 0.10 0.00 -1.71 0.00 0.00 66.02 65.04 2pkr s SER 75 CO 0.17 -0.35 0.61 -0.62 1.20 0.00 0.00 173.24 174.25 2pkr s ASP 76 N 2.39 -0.89 0.25 5.45 -1.08 -1.26 -4.95 116.67 116.57 2pkr s ASP 76 Ca 0.09 1.41 0.25 0.00 -0.52 0.00 0.00 52.55 53.78 2pkr s ASP 76 Cb -0.15 1.69 0.87 0.00 -1.46 0.00 0.00 42.92 43.87 2pkr s ASP 76 CO -0.22 -0.23 1.75 0.03 0.52 0.00 0.00 175.17 177.03 2pkr h ARG 77 N 7.57 0.00 -4.44 4.34 3.08 -1.99 -3.41 114.38 119.53 2pkr h ARG 77 Ca -0.24 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.09 2pkr h ARG 77 Cb 1.16 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.96 2pkr h ARG 77 CO 0.15 0.00 -0.44 1.21 -1.07 0.00 0.00 179.97 179.82 2pkr s ASN 78 N -4.55 5.84 0.46 7.04 3.84 -1.26 -4.98 114.94 121.32 2pkr s ASN 78 Ca 0.08 -1.30 0.14 0.00 0.21 0.00 0.00 52.86 51.99 2pkr s ASN 78 Cb 0.11 -2.06 1.09 0.00 -0.55 0.00 0.00 41.25 39.84 2pkr s ASN 78 CO 0.52 -0.53 2.04 -0.65 -2.79 0.00 0.00 177.10 175.69 2pkr h PRO 79 N 8.53 0.29 -0.14 0.43 0.11 -1.90 -2.49 132.00 136.82 2pkr h PRO 79 Ca -0.25 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.88 2pkr h PRO 79 Cb 1.10 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2pkr h PRO 79 CO 0.77 0.19 0.13 -0.39 -0.21 0.00 0.00 178.00 178.49 2pkr h VAL 80 N 0.30 0.65 -0.03 3.15 -1.51 -1.94 -1.35 116.25 115.52 2pkr h VAL 80 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.66 2pkr h VAL 80 Cb 0.35 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 2pkr h VAL 80 CO -0.04 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.89 2pkr n ASN 81 N -4.08 1.31 -4.78 4.19 5.03 -0.94 -4.29 115.26 111.71 2pkr n ASN 81 Ca 0.00 -1.46 -0.35 0.00 0.87 0.00 0.00 54.58 53.65 2pkr n ASN 81 Cb 0.25 -0.01 -0.02 0.00 -1.02 0.00 0.00 39.78 38.98 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 -1.95 3.83 -0.19 3.41 1.43 -0.51 -4.93 118.68 119.76 2pkr s LEU 82 Ca 0.38 2.07 -0.02 0.00 -1.03 0.00 0.00 54.13 55.53 2pkr s LEU 82 Cb 0.21 -4.53 0.04 0.00 0.03 0.00 0.00 46.19 41.94 2pkr s LEU 82 CO 0.33 -0.97 2.42 -0.81 0.23 0.00 0.00 176.35 177.55 2pkr n PRO 83 N -1.03 1.70 0.19 1.29 -0.04 -1.26 -4.44 135.00 131.41 2pkr n PRO 83 Ca 0.10 -1.14 0.03 0.00 -0.04 0.00 0.00 63.50 62.45 2pkr n PRO 83 Cb 0.51 -1.59 0.36 0.00 -0.04 0.00 0.00 33.50 32.75 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 1.85 0.00 0.00 0.54 -0.00 -1.90 -0.15 115.95 116.29 2pkr h TRP 84 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.10 2pkr h TRP 84 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.17 2pkr h TRP 84 CO 0.92 0.38 0.00 0.41 -0.00 0.00 0.00 178.44 180.15 2pkr n GLY 85 N -0.27 -0.05 0.40 1.49 0.00 -0.75 -0.09 105.19 105.91 2pkr n GLY 85 Ca -0.02 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.32 2pkr n GLY 85 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pkr n ASP 86 N -0.61 0.08 -0.04 1.61 -0.08 -1.21 0.11 116.55 116.42 2pkr n ASP 86 Ca 0.00 0.82 -0.16 0.00 -1.51 0.00 0.00 54.79 53.94 2pkr n ASP 86 Cb 0.00 -0.40 -0.07 0.00 2.34 0.00 0.00 41.12 42.98 2pkr n ASP 86 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 2pkr h MET 87 N 0.00 0.67 0.00 -0.67 2.86 -0.86 -3.46 114.93 113.47 2pkr h MET 87 Ca 0.62 -0.51 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2pkr h MET 87 Cb 2.24 0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.99 2pkr h MET 87 CO -0.17 1.13 0.00 0.41 1.06 0.00 0.00 176.91 179.34 2pkr n GLY 88 N 0.61 1.17 3.70 8.32 0.00 0.31 -5.05 105.19 114.25 2pkr n GLY 88 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.00 2.65 -0.18 -0.61 -1.09 0.87 -4.77 121.20 116.06 2pkr s ILE 89 Ca 0.00 0.25 -0.23 0.00 -2.23 0.00 0.00 60.65 58.44 2pkr s ILE 89 Cb 0.00 -3.16 -0.22 0.00 -1.58 0.00 0.00 42.46 37.50 2pkr s ILE 89 CO 0.00 0.01 0.40 0.44 -1.23 0.00 0.00 174.94 174.56 2pkr h ASP 90 N 8.01 0.03 -3.69 3.58 3.32 -1.37 -2.87 116.42 123.42 2pkr h ASP 90 Ca -0.44 -0.68 -0.45 0.00 0.02 0.00 0.00 57.03 55.49 2pkr h ASP 90 Cb 1.21 -0.01 -0.32 0.00 0.22 0.00 0.00 39.33 40.43 2pkr h ASP 90 CO 0.94 1.36 -0.79 -0.22 -1.72 0.00 0.00 179.24 178.80 2pkr s LEU 91 N -7.95 1.70 -0.16 1.55 2.96 -0.87 -0.39 118.68 115.52 2pkr s LEU 91 Ca -0.25 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.41 2pkr s LEU 91 Cb 0.03 -0.60 -0.03 0.00 0.50 0.00 0.00 46.19 46.09 2pkr s LEU 91 CO 0.63 0.05 -0.01 -0.69 -1.32 0.00 0.00 176.35 175.01 2pkr s VAL 92 N 0.38 4.14 -0.48 1.68 1.01 0.11 -1.22 120.40 126.03 2pkr s VAL 92 Ca -0.07 -0.27 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 2pkr s VAL 92 Cb -0.11 -2.83 0.04 0.00 0.00 0.00 0.00 36.38 33.49 2pkr s VAL 92 CO 0.01 0.49 0.65 -0.63 0.00 0.00 0.00 175.10 175.62 2pkr s ILE 93 N 0.30 4.83 -0.85 2.22 -1.09 0.43 -0.25 121.20 126.78 2pkr s ILE 93 Ca -0.02 -0.19 -0.23 0.00 -2.23 0.00 0.00 60.65 57.98 2pkr s ILE 93 Cb -0.14 -4.27 0.06 0.00 -1.58 0.00 0.00 42.46 36.54 2pkr s ILE 93 CO 0.02 -0.73 1.25 -0.70 -1.23 0.00 0.00 174.94 173.55 2pkr s GLU 94 N 2.79 3.38 -0.26 2.79 -6.30 0.54 -1.28 118.70 120.37 2pkr s GLU 94 Ca 0.19 -0.93 0.11 0.00 -2.50 0.00 0.00 54.97 51.83 2pkr s GLU 94 Cb -0.17 -4.72 0.48 0.00 0.00 0.00 0.00 34.13 29.72 2pkr s GLU 94 CO 0.15 -2.04 1.40 0.41 0.02 0.00 0.00 175.26 175.21 2pkr n GLY 95 N 5.90 4.86 0.11 -1.50 0.00 -0.21 -1.36 105.19 112.99 2pkr n GLY 95 Ca 0.16 -1.22 0.06 0.00 0.00 0.00 0.00 46.02 45.02 2pkr n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pkr n THR 96 N -1.08 0.88 -0.88 2.61 -2.24 -1.18 -4.65 114.28 107.74 2pkr n THR 96 Ca 0.29 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2pkr n THR 96 Cb 0.94 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 2pkr n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pkr n GLY 97 N 1.28 1.08 0.00 3.38 0.00 -1.26 -4.83 105.19 104.83 2pkr n GLY 97 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.21 1.61 0.24 -1.26 -4.67 118.33 109.04 2pkr n VAL 98 Ca 0.00 -0.24 -0.29 0.00 -2.04 0.00 0.00 64.34 61.76 2pkr n VAL 98 Cb 0.00 0.74 -0.05 0.00 -1.47 0.00 0.00 33.84 33.06 2pkr n VAL 98 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2pkr n PHE 99 N -1.49 3.57 1.03 6.34 3.72 -1.26 -4.83 117.46 124.53 2pkr n PHE 99 Ca 0.01 -3.86 0.11 0.00 -0.05 0.00 0.00 57.45 53.66 2pkr n PHE 99 Cb 0.22 -0.65 0.04 0.00 -0.94 0.00 0.00 39.48 38.15 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 0.56 0.00 -3.48 -4.37 0.24 -1.26 -3.50 118.33 106.52 2pkr n VAL 100 Ca 0.31 -0.27 -0.21 0.00 -2.04 0.00 0.00 64.34 62.13 2pkr n VAL 100 Cb 0.39 1.20 -0.01 0.00 -1.47 0.00 0.00 33.84 33.94 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 -2.44 5.08 0.18 -1.34 -4.77 -1.26 -0.81 116.67 111.30 2pkr s ASP 101 Ca 0.20 -0.78 -0.14 0.00 -3.30 0.00 0.00 52.55 48.53 2pkr s ASP 101 Cb 0.18 -0.35 0.07 0.00 -1.09 0.00 0.00 42.92 41.73 2pkr s ASP 101 CO 0.55 -0.80 1.84 0.03 0.70 0.00 0.00 175.17 177.48 2pkr h ARG 102 N 0.85 0.74 -0.54 2.11 3.08 -1.94 0.11 114.38 118.79 2pkr h ARG 102 Ca -0.39 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.57 2pkr h ARG 102 Cb 1.28 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 2pkr h ARG 102 CO 0.54 0.50 0.19 -0.44 -1.07 0.00 0.00 179.97 179.69 2pkr h ASP 103 N 0.75 0.76 0.54 7.04 3.32 -1.96 0.19 116.42 127.06 2pkr h ASP 103 Ca 0.20 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 2pkr h ASP 103 Cb -0.07 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.29 2pkr h ASP 103 CO -0.04 0.75 -0.26 1.23 -1.72 0.00 0.00 179.24 179.19 2pkr h GLY 104 N 0.74 -0.76 1.91 2.75 0.00 -1.86 -3.11 103.07 102.74 2pkr h GLY 104 Ca 0.18 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.79 2pkr h GLY 104 CO -0.01 -0.28 0.05 0.00 0.00 0.00 0.00 176.54 176.31 2pkr h ALA 105 N -1.33 1.95 -0.14 3.60 0.00 -0.82 -1.25 119.26 121.27 2pkr h ALA 105 Ca -0.07 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2pkr h ALA 105 Cb 0.56 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2pkr h ALA 105 CO 0.12 0.04 0.11 0.78 0.00 0.00 0.00 179.25 180.30 2pkr h GLY 106 N 0.10 0.00 0.79 0.00 0.00 -0.64 -1.71 103.07 101.62 2pkr h GLY 106 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.49 2pkr h GLY 106 CO -0.01 0.00 0.48 0.50 0.00 0.00 0.00 176.54 177.51 2pkr h LYS 107 N 0.00 0.00 -0.02 4.80 1.57 -1.15 0.69 116.57 122.47 2pkr h LYS 107 Ca 0.07 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.69 2pkr h LYS 107 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2pkr h LYS 107 CO -0.00 0.00 -0.72 0.45 -0.57 0.00 0.00 179.45 178.61 2pkr h HIS 108 N 0.00 0.14 -0.14 -1.35 3.86 -1.49 -1.58 115.15 114.58 2pkr h HIS 108 Ca 0.22 -0.06 -0.22 0.00 -1.16 0.00 0.00 60.37 59.14 2pkr h HIS 108 Cb 1.17 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 29.62 2pkr h HIS 108 CO 0.00 0.78 -0.78 -0.07 0.86 0.00 0.00 177.93 178.72 2pkr h LEU 109 N 0.06 0.90 -1.40 2.43 3.38 0.18 0.60 115.31 121.45 2pkr h LEU 109 Ca -0.02 -0.59 0.01 0.00 0.09 0.00 0.00 57.88 57.38 2pkr h LEU 109 Cb 1.27 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 2pkr h LEU 109 CO 0.10 1.39 0.41 1.56 0.09 0.00 0.00 178.44 181.99 2pkr h GLN 110 N 0.51 0.79 0.00 1.13 4.20 -0.77 -1.03 115.11 119.93 2pkr h GLN 110 Ca -0.05 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2pkr h GLN 110 Cb 1.41 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.01 2pkr h GLN 110 CO 0.16 0.52 0.00 0.00 -0.67 0.00 0.00 178.83 178.84 2pkr n ALA 111 N -2.45 2.28 0.00 3.87 0.00 -0.62 -4.89 120.51 118.70 2pkr n ALA 111 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2pkr n ALA 111 Cb 0.07 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 1.02 0.88 3.77 0.00 0.00 -0.39 -1.81 105.19 108.66 2pkr n GLY 112 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 3.26 0.14 4.61 0.00 0.17 -4.19 121.76 123.76 2pkr s ALA 113 Ca 0.00 0.73 0.01 0.00 0.00 0.00 0.00 51.96 52.71 2pkr s ALA 113 Cb 0.00 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 2pkr s ALA 113 CO 0.00 -0.06 1.32 0.87 0.00 0.00 0.00 175.76 177.89 2pkr h LYS 114 N 3.36 0.19 -3.29 0.00 1.57 -1.43 -3.36 116.57 113.60 2pkr h LYS 114 Ca -0.47 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 57.99 2pkr h LYS 114 Cb 1.21 0.08 -0.16 0.00 0.08 0.00 0.00 32.23 33.44 2pkr h LYS 114 CO 0.65 1.01 -0.18 0.21 -0.57 0.00 0.00 179.45 180.58 2pkr s LYS 115 N -3.04 0.90 -0.03 3.15 2.20 0.48 -4.88 119.74 118.51 2pkr s LYS 115 Ca -0.03 -0.55 0.02 0.00 -0.36 0.00 0.00 55.97 55.05 2pkr s LYS 115 Cb 0.09 0.39 0.01 0.00 -1.51 0.00 0.00 37.83 36.81 2pkr s LYS 115 CO 0.84 -0.31 -0.08 0.08 -0.36 0.00 0.00 175.35 175.52 2pkr s VAL 116 N -2.93 0.70 -0.28 4.02 1.01 -0.24 -0.71 120.40 121.97 2pkr s VAL 116 Ca -0.02 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.68 2pkr s VAL 116 Cb 0.00 -0.64 0.06 0.00 0.00 0.00 0.00 36.38 35.81 2pkr s VAL 116 CO -0.06 0.23 -0.07 -0.22 0.00 0.00 0.00 175.10 174.98 2pkr s LEU 117 N 0.32 3.70 -0.13 3.92 0.20 0.66 -1.17 118.68 126.18 2pkr s LEU 117 Ca -0.05 -1.49 -0.28 0.00 0.69 0.00 0.00 54.13 53.00 2pkr s LEU 117 Cb -0.09 -1.58 -0.01 0.00 -0.43 0.00 0.00 46.19 44.07 2pkr s LEU 117 CO 0.00 -0.23 0.93 -0.63 -0.29 0.00 0.00 176.35 176.13 2pkr s ILE 118 N 1.09 4.83 -0.05 6.68 1.01 0.99 -0.34 121.20 135.41 2pkr s ILE 118 Ca -0.06 1.86 -0.04 0.00 0.00 0.00 0.00 60.65 62.41 2pkr s ILE 118 Cb -0.20 -4.24 -0.17 0.00 0.01 0.00 0.00 42.46 37.87 2pkr s ILE 118 CO -0.05 0.03 3.15 0.35 0.00 0.00 0.00 174.94 178.42 2pkr n THR 119 N 4.57 2.80 -3.69 2.92 -2.24 -0.47 -1.66 114.28 116.52 2pkr n THR 119 Ca 0.07 -1.41 0.01 0.00 -2.27 0.00 0.00 64.05 60.45 2pkr n THR 119 Cb 0.49 -1.84 -0.00 0.00 -2.10 0.00 0.00 70.33 66.88 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 0.47 -2.18 0.40 6.98 0.00 -1.23 -4.94 121.76 121.26 2pkr s ALA 120 Ca 0.50 0.52 -0.27 0.00 0.00 0.00 0.00 51.96 52.71 2pkr s ALA 120 Cb 0.25 0.47 -0.09 0.00 0.00 0.00 0.00 23.12 23.74 2pkr s ALA 120 CO -0.02 -1.07 1.40 -2.14 0.00 0.00 0.00 175.76 173.94 2pkr s PRO 121 N -2.46 3.97 0.20 0.00 0.02 -1.25 -3.85 135.00 131.63 2pkr s PRO 121 Ca 0.16 2.39 -0.07 0.00 0.02 0.00 0.00 61.00 63.50 2pkr s PRO 121 Cb 0.03 -2.83 -0.06 0.00 0.02 0.00 0.00 34.50 31.66 2pkr s PRO 121 CO -0.03 -0.57 0.47 0.20 -0.33 0.00 0.00 177.00 176.74 2pkr s GLY 122 N -0.44 2.19 -0.07 0.52 0.00 -1.26 -4.92 107.32 103.35 2pkr s GLY 122 Ca 0.56 -0.45 -0.10 0.00 0.00 0.00 0.00 44.72 44.72 2pkr s GLY 122 CO 0.56 -0.35 0.25 0.54 0.00 0.00 0.00 173.10 174.11 2pkr s LYS 122 N -2.85 3.67 1.78 2.90 -0.14 0.01 -4.83 119.74 120.27 2pkr s LYS 122 Ca 0.44 0.10 0.00 0.00 -1.36 0.00 0.00 55.97 55.15 2pkr s LYS 122 Cb -0.12 -3.21 0.00 0.00 -1.68 0.00 0.00 37.83 32.82 2pkr s LYS 122 CO 0.24 0.72 0.00 0.41 -0.76 0.00 0.00 175.35 175.96 2pkr n GLY 123 N 1.97 -1.28 3.21 -3.33 0.00 -1.26 -4.16 105.19 100.34 2pkr n GLY 123 Ca -0.17 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 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 0.20 4.63 -4.09 1.61 2.03 -1.26 -4.91 116.55 114.75 2pkr n ASP 124 Ca 0.00 -2.92 -0.30 0.00 0.52 0.00 0.00 54.79 52.09 2pkr n ASP 124 Cb 0.00 -1.67 -0.17 0.00 -0.72 0.00 0.00 41.12 38.56 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 3.22 1.73 0.00 5.18 1.01 -1.26 -4.99 121.20 126.10 2pkr s ILE 125 Ca 0.49 -0.77 -0.32 0.00 0.00 0.00 0.00 60.65 60.05 2pkr s ILE 125 Cb 0.07 -1.57 -0.11 0.00 0.01 0.00 0.00 42.46 40.86 2pkr s ILE 125 CO 0.01 0.49 1.88 -2.65 0.00 0.00 0.00 174.94 174.66 2pkr n PRO 126 N 4.29 2.49 -4.16 2.79 -0.02 -1.25 -4.74 135.00 134.40 2pkr n PRO 126 Ca -0.19 0.91 -0.35 0.00 -2.02 0.00 0.00 63.50 61.86 2pkr n PRO 126 Cb 0.51 -2.79 -0.10 0.00 -0.02 0.00 0.00 33.50 31.10 2pkr n PRO 126 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2pkr s THR 127 N 3.74 4.55 0.01 3.45 2.01 -1.26 -0.40 115.64 127.75 2pkr s THR 127 Ca 0.89 -0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.79 2pkr s THR 127 Cb -0.58 -3.00 -0.01 0.00 0.01 0.00 0.00 72.50 68.91 2pkr s THR 127 CO 0.45 0.51 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.47 2pkr s TYR 128 N -0.00 0.97 -0.23 4.92 2.02 -0.24 -4.77 117.35 120.01 2pkr s TYR 128 Ca 0.04 -0.26 -0.01 0.00 -0.37 0.00 0.00 57.07 56.48 2pkr s TYR 128 Cb -0.12 -0.60 0.06 0.00 -0.40 0.00 0.00 41.96 40.90 2pkr s TYR 128 CO 0.01 -0.01 -0.01 0.08 -1.57 0.00 0.00 175.55 174.06 2pkr s VAL 129 N -0.55 1.13 0.08 0.71 1.01 -1.26 -4.24 120.40 117.28 2pkr s VAL 129 Ca 0.02 -1.04 -0.35 0.00 0.00 0.00 0.00 61.98 60.61 2pkr s VAL 129 Cb -0.06 -1.54 -0.14 0.00 0.00 0.00 0.00 36.38 34.64 2pkr s VAL 129 CO 0.00 -0.21 1.60 0.52 0.00 0.00 0.00 175.10 177.02 2pkr n VAL 130 N 4.81 0.12 -0.04 2.92 0.31 -1.26 -0.21 118.33 124.99 2pkr n VAL 130 Ca -0.10 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2pkr n VAL 130 Cb 0.45 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 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 3.49 0.38 1.06 2.92 0.00 -1.26 -4.88 105.19 106.91 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 -2.00 0.61 -2.17 1.61 0.31 0.70 -4.92 118.33 112.48 2pkr n VAL 132 Ca 0.00 0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 2pkr n VAL 132 Cb 0.00 -1.51 -0.00 0.00 -0.91 0.00 0.00 33.84 31.42 2pkr n VAL 132 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2pkr n ASN 133 N -3.25 0.17 0.28 4.52 2.04 -0.99 -4.91 115.26 113.13 2pkr n ASN 133 Ca 0.00 -1.84 0.16 0.00 -0.44 0.00 0.00 54.58 52.46 2pkr n ASN 133 Cb 0.23 -0.12 0.82 0.00 -2.53 0.00 0.00 39.78 38.19 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 0.33 0.00 0.00 -3.83 9.09 -1.94 -2.42 114.58 115.81 2pkr h GLU 134 Ca -0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.24 2pkr h GLU 134 Cb 1.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.60 2pkr h GLU 134 CO -0.01 0.07 0.00 0.39 0.05 0.00 0.00 179.01 179.51 2pkr n GLU 135 N -3.40 0.01 0.02 1.06 1.02 -1.26 -1.58 120.64 116.51 2pkr n GLU 135 Ca -0.02 0.42 0.13 0.00 -0.02 0.00 0.00 57.16 57.67 2pkr n GLU 135 Cb 0.22 -1.52 0.35 0.00 -0.02 0.00 0.00 31.44 30.46 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 -0.96 -1.40 3.77 0.62 0.00 -0.91 -4.90 105.19 101.41 2pkr n GLY 136 Ca 0.01 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.05 2.72 0.03 1.61 5.04 -0.62 -5.03 117.35 118.05 2pkr s TYR 137 Ca 0.11 1.31 0.02 0.00 -2.44 0.00 0.00 57.07 56.07 2pkr s TYR 137 Cb 0.17 -3.83 -0.02 0.00 0.35 0.00 0.00 41.96 38.63 2pkr s TYR 137 CO 0.65 -2.49 -0.08 0.95 -1.34 0.00 0.00 175.55 173.24 2pkr s THR 138 N -1.18 0.58 0.65 4.34 -4.23 -1.26 -5.03 115.64 109.51 2pkr s THR 138 Ca 0.55 -0.82 0.35 0.00 -1.18 0.00 0.00 61.69 60.59 2pkr s THR 138 Cb -0.42 -0.59 0.37 0.00 1.34 0.00 0.00 72.50 73.20 2pkr s THR 138 CO 0.56 -0.19 2.13 -0.74 -0.54 0.00 0.00 174.62 175.84 2pkr h HIS 139 N 4.99 0.00 0.00 3.99 2.76 -1.96 -1.75 115.15 123.17 2pkr h HIS 139 Ca -0.34 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.83 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 0.56 0.00 -0.01 0.00 -1.30 0.00 0.00 177.93 177.18 2pkr h ALA 140 N 1.69 1.04 -1.67 5.26 0.00 -1.95 -3.41 119.26 120.21 2pkr h ALA 140 Ca 0.02 -0.01 -0.55 0.00 0.00 0.00 0.00 54.91 54.38 2pkr h ALA 140 Cb 0.38 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2pkr h ALA 140 CO -0.00 0.01 1.20 -0.51 0.00 0.00 0.00 179.25 179.95 2pkr s ASP 141 N -5.43 5.91 0.37 0.00 1.01 -0.66 -4.87 116.67 112.99 2pkr s ASP 141 Ca -0.03 0.65 0.20 0.00 0.71 0.00 0.00 52.55 54.08 2pkr s ASP 141 Cb 0.12 -2.54 0.41 0.00 1.01 0.00 0.00 42.92 41.92 2pkr s ASP 141 CO 0.47 -1.81 1.61 0.71 0.21 0.00 0.00 175.17 176.35 2pkr h THR 142 N 6.62 0.59 -3.33 -1.27 1.35 -1.90 -3.43 112.91 111.54 2pkr h THR 142 Ca -0.28 -1.61 -0.37 0.00 -0.55 0.00 0.00 66.41 63.59 2pkr h THR 142 Cb 1.13 2.12 -0.38 0.00 -1.73 0.00 0.00 68.15 69.29 2pkr h THR 142 CO 1.13 0.30 -0.74 -0.63 -0.25 0.00 0.00 175.52 175.33 2pkr s ILE 143 N -3.24 -0.02 0.20 6.82 1.01 -1.26 -1.08 121.20 123.63 2pkr s ILE 143 Ca 0.03 0.35 0.07 0.00 0.00 0.00 0.00 60.65 61.11 2pkr s ILE 143 Cb 0.08 -0.21 -0.05 0.00 0.01 0.00 0.00 42.46 42.30 2pkr s ILE 143 CO 0.69 0.18 -0.13 0.27 0.00 0.00 0.00 174.94 175.96 2pkr s ILE 144 N 1.99 1.64 0.02 2.92 -4.36 -0.32 -3.88 121.20 119.21 2pkr s ILE 144 Ca 0.03 -2.18 0.08 0.00 -0.26 0.00 0.00 60.65 58.32 2pkr s ILE 144 Cb -0.12 -2.06 -0.03 0.00 1.25 0.00 0.00 42.46 41.50 2pkr s ILE 144 CO -0.03 -0.58 -0.25 -0.55 0.24 0.00 0.00 174.94 173.76 2pkr s SER 145 N -3.31 3.19 -0.12 4.36 0.15 0.47 -0.01 113.70 118.44 2pkr s SER 145 Ca 0.23 -0.52 0.19 0.00 0.70 0.00 0.00 55.95 56.54 2pkr s SER 145 Cb 0.00 -0.35 0.74 0.00 -1.71 0.00 0.00 66.02 64.70 2pkr s SER 145 CO 0.07 0.29 1.65 -3.20 1.20 0.00 0.00 173.24 173.24 2pkr n ASN 146 N 2.04 4.86 -0.66 5.45 5.15 -0.67 -1.08 115.26 130.36 2pkr n ASN 146 Ca -0.16 -2.46 0.00 0.00 -0.60 0.00 0.00 54.58 51.36 2pkr n ASN 146 Cb 0.52 -0.59 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 1.17 0.00 -2.01 5.20 0.00 -1.25 -4.79 120.51 118.82 2pkr n ALA 147 Ca 0.26 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.52 2pkr n ALA 147 Cb 0.91 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.39 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 5.40 0.19 0.00 1.04 -1.26 -3.56 113.70 111.50 2pkr s SER 148 Ca 0.00 -0.51 -0.09 0.00 0.48 0.00 0.00 55.95 55.82 2pkr s SER 148 Cb 0.00 -0.36 0.09 0.00 0.10 0.00 0.00 66.02 65.85 2pkr s SER 148 CO 0.00 -1.02 1.68 0.00 0.98 0.00 0.00 173.24 174.88 2pkr h THR 150 N 0.99 1.26 -0.33 0.00 2.02 -1.95 -1.85 112.91 113.05 2pkr h THR 150 Ca 0.20 -1.16 -0.10 0.00 0.77 0.00 0.00 66.41 66.11 2pkr h THR 150 Cb 0.44 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2pkr h THR 150 CO 0.01 0.39 -0.23 0.74 0.37 0.00 0.00 175.52 176.81 2pkr h THR 151 N 0.68 1.27 0.00 3.16 2.02 -1.78 -1.10 112.91 117.15 2pkr h THR 151 Ca 0.12 -1.30 -0.06 0.00 0.77 0.00 0.00 66.41 65.94 2pkr h THR 151 Cb 0.58 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 2pkr h THR 151 CO 0.04 0.42 -0.29 0.78 0.37 0.00 0.00 175.52 176.84 2pkr h ASN 152 N 0.56 0.00 0.17 4.18 4.21 -1.05 -1.30 115.58 122.36 2pkr h ASN 152 Ca 0.08 0.00 -0.25 0.00 1.21 0.00 0.00 56.30 57.34 2pkr h ASN 152 Cb 0.69 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.92 2pkr h ASN 152 CO 0.05 0.29 -1.12 0.00 -1.29 0.00 0.00 177.43 175.36 2pkr h LEU 154 N -0.20 -0.41 -0.97 0.00 5.85 -1.13 -3.38 115.31 115.07 2pkr h LEU 154 Ca -0.21 -0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.68 2pkr h LEU 154 Cb 1.83 0.11 -0.17 0.00 0.37 0.00 0.00 40.66 42.79 2pkr h LEU 154 CO 0.18 0.04 -0.32 0.00 -0.34 0.00 0.00 178.44 177.99 2pkr h ALA 155 N -1.08 0.37 -0.24 1.25 0.00 -1.47 -1.27 119.26 116.82 2pkr h ALA 155 Ca -0.05 0.32 0.06 0.00 0.00 0.00 0.00 54.91 55.24 2pkr h ALA 155 Cb 0.39 0.88 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 2pkr h ALA 155 CO 0.08 -0.52 -0.23 -1.35 0.00 0.00 0.00 179.25 177.23 2pkr h PRO 156 N -0.01 -0.23 0.00 0.00 0.11 -1.76 0.22 132.00 130.33 2pkr h PRO 156 Ca 0.40 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.52 2pkr h PRO 156 Cb 0.65 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.81 2pkr h PRO 156 CO -0.99 -0.15 -0.06 0.27 -0.21 0.00 0.00 178.00 176.86 2pkr h PHE 157 N -0.24 0.00 -0.03 0.65 -5.15 -1.54 -2.91 116.94 107.72 2pkr h PHE 157 Ca 0.14 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 57.73 2pkr h PHE 157 Cb 0.45 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.61 2pkr h PHE 157 CO -0.39 0.00 -0.75 0.28 -2.00 0.00 0.00 178.31 175.45 2pkr h VAL 158 N 0.00 1.44 -0.39 0.88 2.07 -0.58 -0.89 116.25 118.78 2pkr h VAL 158 Ca 0.00 -2.32 -0.03 0.00 0.82 0.00 0.00 66.70 65.17 2pkr h VAL 158 Cb 0.81 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 2pkr h VAL 158 CO 0.00 0.68 0.11 0.50 0.02 0.00 0.00 177.57 178.89 2pkr h LYS 159 N 0.14 0.62 -0.47 1.57 3.64 -0.40 -0.16 116.57 121.51 2pkr h LYS 159 Ca -0.03 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 2pkr h LYS 159 Cb 1.32 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 2pkr h LYS 159 CO 0.12 0.63 0.23 0.28 -2.27 0.00 0.00 179.45 178.43 2pkr h VAL 160 N 0.49 1.19 -0.74 2.00 2.07 -1.35 -1.74 116.25 118.17 2pkr h VAL 160 Ca 0.13 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 2pkr h VAL 160 Cb 0.27 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2pkr h VAL 160 CO -0.00 0.21 0.34 -0.07 0.02 0.00 0.00 177.57 178.07 2pkr h LEU 161 N 0.62 0.97 -0.26 2.57 3.38 -0.93 -0.68 115.31 121.00 2pkr h LEU 161 Ca 0.16 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 2pkr h LEU 161 Cb 0.12 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 2pkr h LEU 161 CO -0.02 0.83 -0.37 -0.78 0.09 0.00 0.00 178.44 178.19 2pkr h ASP 162 N 1.06 0.77 -0.08 -0.43 3.58 -0.76 0.12 116.42 120.68 2pkr h ASP 162 Ca 0.26 -0.51 -0.01 0.00 0.42 0.00 0.00 57.03 57.18 2pkr h ASP 162 Cb 0.13 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 40.96 2pkr h ASP 162 CO -0.03 1.13 0.01 1.56 -2.88 0.00 0.00 179.24 179.03 2pkr h GLN 163 N 0.43 0.14 0.06 0.28 4.20 -1.15 -0.02 115.11 119.05 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 0.96 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 2pkr h GLN 163 CO 0.09 0.36 -1.09 0.87 -0.67 0.00 0.00 178.83 178.39 2pkr h LYS 164 N -0.11 0.17 0.00 1.46 1.79 -1.16 -3.40 116.57 115.32 2pkr h LYS 164 Ca 0.02 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 2pkr h LYS 164 Cb 0.29 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2pkr h LYS 164 CO 0.00 1.09 -0.37 1.19 -1.08 0.00 0.00 179.45 180.29 2pkr n PHE 165 N -3.50 0.00 -1.69 -1.35 3.72 0.37 -4.95 117.46 110.06 2pkr n PHE 165 Ca -0.05 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.34 2pkr n PHE 165 Cb 0.95 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.48 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 1.27 -3.76 3.66 1.37 0.00 -0.02 -1.78 105.19 105.92 2pkr n GLY 166 Ca 0.00 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.21 4.76 -0.16 -0.61 1.01 -1.26 0.15 121.20 124.88 2pkr s ILE 167 Ca -0.06 1.83 -0.24 0.00 0.00 0.00 0.00 60.65 62.18 2pkr s ILE 167 Cb 0.00 -4.22 -0.21 0.00 0.01 0.00 0.00 42.46 38.04 2pkr s ILE 167 CO 0.16 -0.11 0.53 0.40 0.00 0.00 0.00 174.94 175.91 2pkr h ILE 168 N 5.40 1.36 -2.17 2.92 2.04 -1.52 -3.48 117.51 122.05 2pkr h ILE 168 Ca -0.22 -2.16 0.14 0.00 1.00 0.00 0.00 64.86 63.62 2pkr h ILE 168 Cb 1.08 2.70 -0.15 0.00 -0.74 0.00 0.00 36.82 39.72 2pkr h ILE 168 CO 0.92 0.46 0.54 -1.59 0.00 0.00 0.00 178.15 178.48 2pkr s LYS 169 N -2.21 0.80 0.24 2.37 -2.85 -1.22 -4.82 119.74 112.05 2pkr s LYS 169 Ca -0.20 -0.32 -0.21 0.00 -1.00 0.00 0.00 55.97 54.24 2pkr s LYS 169 Cb -0.00 0.35 0.06 0.00 -2.06 0.00 0.00 37.83 36.18 2pkr s LYS 169 CO 0.60 -0.35 0.93 0.20 0.10 0.00 0.00 175.35 176.83 2pkr s GLY 170 N -2.52 0.12 0.02 0.59 0.00 0.16 -1.26 107.32 104.43 2pkr s GLY 170 Ca 0.07 -0.38 -0.05 0.00 0.00 0.00 0.00 44.72 44.35 2pkr s GLY 170 CO -0.07 1.08 0.09 -1.08 0.00 0.00 0.00 173.10 173.11 2pkr s THR 171 N -2.49 0.12 0.05 0.90 -1.32 0.28 -3.07 115.64 110.11 2pkr s THR 171 Ca 0.18 -0.96 0.01 0.00 -1.21 0.00 0.00 61.69 59.71 2pkr s THR 171 Cb -0.03 -0.67 -0.03 0.00 -1.51 0.00 0.00 72.50 70.26 2pkr s THR 171 CO 0.07 -0.53 -0.06 0.00 -2.21 0.00 0.00 174.62 171.88 2pkr s MET 172 N -2.09 0.58 -0.04 7.08 0.23 -0.31 -1.22 119.30 123.53 2pkr s MET 172 Ca -0.09 -0.93 -0.01 0.00 -1.03 0.00 0.00 55.69 53.63 2pkr s MET 172 Cb -0.04 -0.17 0.03 0.00 -1.53 0.00 0.00 34.83 33.12 2pkr s MET 172 CO -0.02 0.00 0.03 0.99 -2.03 0.00 0.00 175.02 174.00 2pkr s THR 173 N -2.20 0.01 -0.22 3.16 2.01 0.05 -1.71 115.64 116.74 2pkr s THR 173 Ca -0.04 0.27 -0.05 0.00 0.31 0.00 0.00 61.69 62.18 2pkr s THR 173 Cb -0.04 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 72.25 2pkr s THR 173 CO -0.02 0.16 0.00 0.28 -0.69 0.00 0.00 174.62 174.35 2pkr s THR 174 N 1.61 3.82 -0.67 -0.82 -1.32 -0.65 -0.36 115.64 117.25 2pkr s THR 174 Ca -0.02 -0.35 -0.21 0.00 -1.21 0.00 0.00 61.69 59.90 2pkr s THR 174 Cb -0.13 -2.75 0.09 0.00 -1.51 0.00 0.00 72.50 68.20 2pkr s THR 174 CO -0.03 0.40 0.92 -0.89 -2.21 0.00 0.00 174.62 172.81 2pkr s THR 175 N 1.38 4.49 -0.09 5.08 2.01 0.06 -0.23 115.64 128.34 2pkr s THR 175 Ca 0.05 -0.66 -0.02 0.00 0.31 0.00 0.00 61.69 61.37 2pkr s THR 175 Cb -0.15 -4.65 -0.03 0.00 0.01 0.00 0.00 72.50 67.68 2pkr s THR 175 CO 0.00 -1.38 0.02 -2.28 -0.69 0.00 0.00 174.62 170.29 2pkr s HIS 176 N 3.57 3.23 0.71 4.92 5.04 -0.19 -1.80 115.29 130.76 2pkr s HIS 176 Ca 0.21 0.24 -0.15 0.00 -1.54 0.00 0.00 55.06 53.81 2pkr s HIS 176 Cb -0.17 -1.81 0.03 0.00 0.04 0.00 0.00 32.58 30.67 2pkr s HIS 176 CO 0.07 0.51 1.20 -1.12 -2.34 0.00 0.00 174.74 173.06 2pkr s SER 177 N -0.93 4.38 0.74 9.88 0.01 -1.25 -0.44 113.70 126.09 2pkr s SER 177 Ca 0.14 2.32 -0.12 0.00 1.31 0.00 0.00 55.95 59.60 2pkr s SER 177 Cb -0.11 -2.59 0.04 0.00 0.21 0.00 0.00 66.02 63.57 2pkr s SER 177 CO 0.03 -2.14 1.10 -0.72 0.41 0.00 0.00 173.24 171.92 2pkr s TYR 178 N -1.98 2.56 0.32 2.43 -0.85 -0.57 -4.70 117.35 114.56 2pkr s TYR 178 Ca 0.74 1.56 0.03 0.00 -0.52 0.00 0.00 57.07 58.88 2pkr s TYR 178 Cb -0.28 -3.10 -0.05 0.00 0.38 0.00 0.00 41.96 38.91 2pkr s TYR 178 CO 0.44 -1.80 0.09 0.95 -1.52 0.00 0.00 175.55 173.72 2pkr s THR 179 N -2.70 0.80 0.38 -3.49 -4.23 -1.26 -4.71 115.64 100.43 2pkr s THR 179 Ca 0.63 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 59.48 2pkr s THR 179 Cb -0.19 -2.63 0.34 0.00 1.34 0.00 0.00 72.50 71.36 2pkr s THR 179 CO 0.51 0.00 2.02 1.23 -0.54 0.00 0.00 174.62 177.84 2pkr h GLY 180 N 2.13 0.00 2.00 3.99 0.00 -1.98 -1.37 103.07 107.84 2pkr h GLY 180 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2pkr h GLY 180 CO 0.63 0.00 0.00 -1.80 0.00 0.00 0.00 176.54 175.37 2pkr h ASP 181 N 0.00 0.00 -3.50 0.19 3.58 -1.99 -3.44 116.42 111.26 2pkr h ASP 181 Ca 0.00 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 56.97 2pkr h ASP 181 Cb 0.15 0.00 0.04 0.00 1.72 0.00 0.00 39.33 41.24 2pkr h ASP 181 CO 0.00 0.00 0.11 -1.10 -2.88 0.00 0.00 179.24 175.37 2pkr s GLN 182 N -3.54 3.27 -0.08 0.28 -0.21 -0.52 -4.98 119.66 113.89 2pkr s GLN 182 Ca 0.03 0.05 -0.11 0.00 0.02 0.00 0.00 55.36 55.34 2pkr s GLN 182 Cb 0.09 -2.36 -0.05 0.00 1.00 0.00 0.00 33.01 31.69 2pkr s GLN 182 CO 0.54 -0.39 0.27 1.03 -2.12 0.00 0.00 175.29 174.62 2pkr s ARG 183 N -4.81 3.74 0.09 2.91 1.81 -1.06 -4.96 118.95 116.67 2pkr s ARG 183 Ca 0.50 0.12 -0.26 0.00 -1.72 0.00 0.00 55.73 54.36 2pkr s ARG 183 Cb -0.10 -3.23 -0.14 0.00 -0.45 0.00 0.00 34.95 31.03 2pkr s ARG 183 CO 0.44 0.68 1.69 1.25 -0.68 0.00 0.00 175.30 178.67 2pkr h LEU 184 N 5.08 -0.37 -8.66 2.53 5.85 -1.90 -1.07 115.31 116.77 2pkr h LEU 184 Ca -0.52 0.03 -0.56 0.00 0.84 0.00 0.00 57.88 57.67 2pkr h LEU 184 Cb 1.22 0.12 -0.22 0.00 0.37 0.00 0.00 40.66 42.15 2pkr h LEU 184 CO 0.62 -0.22 -0.83 -0.76 -0.34 0.00 0.00 178.44 176.91 2pkr s LEU 185 N -10.20 2.29 -0.33 2.25 1.43 -1.26 -3.38 118.68 109.48 2pkr s LEU 185 Ca -0.15 -0.68 -0.31 0.00 -1.03 0.00 0.00 54.13 51.97 2pkr s LEU 185 Cb 0.06 -0.88 -0.13 0.00 0.03 0.00 0.00 46.19 45.27 2pkr s LEU 185 CO 0.65 0.06 1.19 0.47 0.23 0.00 0.00 176.35 178.96 2pkr n ASP 186 N 1.13 0.70 -3.91 2.29 9.92 -1.25 -4.55 116.55 120.88 2pkr n ASP 186 Ca -0.19 0.67 -0.09 0.00 -0.53 0.00 0.00 54.79 54.65 2pkr n ASP 186 Cb 0.54 -0.59 -0.04 0.00 -0.64 0.00 0.00 41.12 40.38 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 2.71 -0.64 0.38 2.24 0.00 -0.42 -4.95 121.76 121.08 2pkr s ALA 187 Ca 0.73 -0.59 -0.26 0.00 0.00 0.00 0.00 51.96 51.85 2pkr s ALA 187 Cb -1.00 0.96 -0.11 0.00 0.00 0.00 0.00 23.12 22.97 2pkr s ALA 187 CO 0.51 -0.89 1.19 -1.13 0.00 0.00 0.00 175.76 175.44 2pkr n SER 188 N -0.39 2.18 -3.64 0.00 3.41 -1.26 -4.51 113.62 109.41 2pkr n SER 188 Ca -0.04 1.13 -0.05 0.00 -0.26 0.00 0.00 58.87 59.65 2pkr n SER 188 Cb 0.61 -1.44 -0.07 0.00 -0.26 0.00 0.00 64.21 63.06 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 -1.17 -0.38 0.36 7.33 5.04 -1.26 -4.88 115.29 120.33 2pkr s HIS 190 Ca 0.60 0.84 0.07 0.00 -1.54 0.00 0.00 55.06 55.03 2pkr s HIS 190 Cb -0.56 0.35 0.76 0.00 0.04 0.00 0.00 32.58 33.17 2pkr s HIS 190 CO 0.59 -0.19 1.92 -0.09 -2.34 0.00 0.00 174.74 174.64 2pkr h ARG 191 N 4.68 0.72 -5.77 2.88 9.65 -1.98 -3.32 114.38 121.26 2pkr h ARG 191 Ca -0.28 -0.04 -0.63 0.00 -1.10 0.00 0.00 59.98 57.93 2pkr h ARG 191 Cb 1.18 -0.16 -0.13 0.00 -1.39 0.00 0.00 29.97 29.47 2pkr h ARG 191 CO 0.16 0.48 0.37 0.34 2.80 0.00 0.00 179.97 184.12 2pkr s ASP 192 N -6.03 6.40 0.06 -3.80 -1.08 -1.26 -4.92 116.67 106.04 2pkr s ASP 192 Ca -0.10 -0.16 0.08 0.00 -0.52 0.00 0.00 52.55 51.86 2pkr s ASP 192 Cb 0.20 -2.39 0.37 0.00 -1.46 0.00 0.00 42.92 39.64 2pkr s ASP 192 CO 0.78 -0.94 1.25 0.18 0.52 0.00 0.00 175.17 176.95 2pkr n LEU 193 N 6.77 0.11 -0.05 -1.34 4.77 -1.25 -2.09 117.00 123.92 2pkr n LEU 193 Ca 0.02 0.54 -0.16 0.00 -0.03 0.00 0.00 56.01 56.38 2pkr n LEU 193 Cb 0.48 -0.55 -0.14 0.00 -2.33 0.00 0.00 43.42 40.89 2pkr n LEU 193 CO 0.59 -0.50 -0.97 0.54 -1.33 0.00 0.00 177.39 175.73 2pkr n ARG 194 N -1.64 0.69 0.00 3.23 1.74 -1.26 -3.76 116.66 115.66 2pkr n ARG 194 Ca 0.01 0.20 0.09 0.00 -0.77 0.00 0.00 57.85 57.38 2pkr n ARG 194 Cb 0.06 -1.64 0.51 0.00 -1.02 0.00 0.00 32.46 30.37 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 -3.23 0.39 0.21 5.56 1.74 -0.89 -1.46 116.66 118.97 2pkr n ARG 195 Ca -0.33 0.07 0.12 0.00 -0.77 0.00 0.00 57.85 56.94 2pkr n ARG 195 Cb 1.05 -1.50 0.17 0.00 -1.02 0.00 0.00 32.46 31.15 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 3.01 0.96 -2.62 7.54 0.00 -1.54 -2.80 119.26 123.80 2pkr h ALA 196 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 2pkr h ALA 196 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2pkr h ALA 196 CO 0.00 0.00 0.33 1.03 0.00 0.00 0.00 179.25 180.61 2pkr s ARG 197 N -3.22 4.71 -0.44 0.00 1.81 -0.54 -1.30 118.95 119.97 2pkr s ARG 197 Ca 0.07 1.38 -0.39 0.00 -1.72 0.00 0.00 55.73 55.06 2pkr s ARG 197 Cb 0.06 -3.08 -0.17 0.00 -0.45 0.00 0.00 34.95 31.31 2pkr s ARG 197 CO 0.68 0.43 1.86 0.00 -0.68 0.00 0.00 175.30 177.58 2pkr n ALA 198 N 1.11 0.08 0.16 2.13 0.00 -1.26 -4.48 120.51 118.25 2pkr n ALA 198 Ca -0.01 0.19 0.03 0.00 0.00 0.00 0.00 53.44 53.65 2pkr n ALA 198 Cb 0.48 -1.83 0.40 0.00 0.00 0.00 0.00 19.45 18.50 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 7.68 1.50 -0.01 0.00 0.00 -1.20 -2.80 119.26 124.43 2pkr h ALA 199 Ca -0.11 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2pkr h ALA 199 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2pkr h ALA 199 CO 0.96 0.36 -0.10 0.00 0.00 0.00 0.00 179.25 180.47 2pkr n LEU 201 N -0.40 0.45 -4.28 0.00 4.77 -1.07 -4.70 117.00 111.77 2pkr n LEU 201 Ca 0.16 -0.35 -0.15 0.00 -0.03 0.00 0.00 56.01 55.64 2pkr n LEU 201 Cb 0.32 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 2pkr n LEU 201 CO 0.21 0.11 -0.38 0.20 -1.33 0.00 0.00 177.39 176.21 2pkr s ASN 202 N -2.68 1.80 -0.31 -1.43 -0.87 -1.15 -5.06 114.94 105.24 2pkr s ASN 202 Ca 0.02 -1.10 -0.14 0.00 -1.57 0.00 0.00 52.86 50.08 2pkr s ASN 202 Cb 0.10 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.25 41.30 2pkr s ASN 202 CO 0.57 -0.40 0.31 -0.63 -2.57 0.00 0.00 177.10 174.38 2pkr s ILE 203 N -3.37 5.21 -0.32 0.60 1.01 -1.26 -4.07 121.20 119.01 2pkr s ILE 203 Ca 0.21 0.21 -0.04 0.00 0.00 0.00 0.00 60.65 61.03 2pkr s ILE 203 Cb 0.04 -3.71 0.04 0.00 0.01 0.00 0.00 42.46 38.85 2pkr s ILE 203 CO 0.04 0.07 0.05 -0.69 0.00 0.00 0.00 174.94 174.41 2pkr s VAL 204 N 1.95 3.37 -0.24 2.92 1.01 0.16 -4.92 120.40 124.66 2pkr s VAL 204 Ca 0.11 -1.26 -0.29 0.00 0.00 0.00 0.00 61.98 60.54 2pkr s VAL 204 Cb -0.16 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.30 2pkr s VAL 204 CO 0.11 -0.14 1.04 -2.84 0.00 0.00 0.00 175.10 173.27 2pkr s PRO 205 N 1.32 4.25 0.20 2.72 0.02 -1.26 0.19 135.00 142.44 2pkr s PRO 205 Ca -0.03 1.34 0.04 0.00 0.02 0.00 0.00 61.00 62.37 2pkr s PRO 205 Cb -0.20 -3.65 -0.02 0.00 0.02 0.00 0.00 34.50 30.66 2pkr s PRO 205 CO 0.01 -0.65 0.16 -2.37 -0.33 0.00 0.00 177.00 173.82 2pkr n THR 206 N 5.36 0.00 -3.77 0.99 5.66 -0.18 -4.85 114.28 117.48 2pkr n THR 206 Ca 0.12 -1.42 -0.36 0.00 -3.05 0.00 0.00 64.05 59.34 2pkr n THR 206 Cb 0.46 0.69 -0.11 0.00 -1.55 0.00 0.00 70.33 69.83 2pkr n THR 206 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2pkr s SER 207 N -2.38 5.73 -0.19 1.09 1.04 -1.26 -1.78 113.70 115.95 2pkr s SER 207 Ca 0.22 0.01 -0.07 0.00 0.48 0.00 0.00 55.95 56.59 2pkr s SER 207 Cb 0.01 -2.02 -0.04 0.00 0.10 0.00 0.00 66.02 64.07 2pkr s SER 207 CO 0.16 0.06 0.05 0.28 0.98 0.00 0.00 173.24 174.76 2pkr s THR 208 N 1.10 4.63 0.00 2.02 -1.32 -1.26 -4.78 115.64 116.03 2pkr s THR 208 Ca 0.06 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.45 2pkr s THR 208 Cb -0.14 -3.09 0.00 0.00 -1.51 0.00 0.00 72.50 67.76 2pkr s THR 208 CO 0.04 0.45 0.67 0.61 -2.21 0.00 0.00 174.62 174.18 2pkr n GLY 209 N 3.70 1.19 0.33 6.08 0.00 -1.26 -4.57 105.19 110.66 2pkr n GLY 209 Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 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 1.01 2.04 0.18 4.61 0.00 -1.26 -4.48 120.51 122.61 2pkr n ALA 210 Ca 0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 53.44 52.89 2pkr n ALA 210 Cb 0.26 0.32 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 2pkr n ALA 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pkr h ALA 211 N -0.16 -0.42 0.00 0.00 0.00 -1.89 0.13 119.26 116.91 2pkr h ALA 211 Ca -0.23 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 2pkr h ALA 211 Cb 1.28 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 2pkr h ALA 211 CO -0.09 -0.74 -0.66 1.57 0.00 0.00 0.00 179.25 179.33 2pkr h LYS 212 N -0.43 0.00 0.00 0.00 2.10 -1.89 -2.98 116.57 113.37 2pkr h LYS 212 Ca -0.03 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.54 2pkr h LYS 212 Cb 0.35 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.67 2pkr h LYS 212 CO 0.04 0.66 -0.35 0.00 -2.00 0.00 0.00 179.45 177.80 2pkr h ALA 213 N 1.34 1.24 -0.52 0.07 0.00 -1.74 -2.47 119.26 117.17 2pkr h ALA 213 Ca -0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2pkr h ALA 213 Cb 1.18 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2pkr h ALA 213 CO 0.09 0.44 0.24 0.28 0.00 0.00 0.00 179.25 180.30 2pkr h VAL 214 N 0.00 1.20 -0.14 0.00 2.07 -0.59 -1.91 116.25 116.88 2pkr h VAL 214 Ca -0.00 -0.57 0.04 0.00 0.82 0.00 0.00 66.70 66.99 2pkr h VAL 214 Cb 0.70 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2pkr h VAL 214 CO 0.05 0.23 0.10 0.00 0.02 0.00 0.00 177.57 177.96 2pkr h ALA 215 N 1.08 2.12 -0.55 1.67 0.00 -1.49 0.50 119.26 122.59 2pkr h ALA 215 Ca 0.18 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2pkr h ALA 215 Cb 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2pkr h ALA 215 CO -0.02 -0.17 0.08 -0.07 0.00 0.00 0.00 179.25 179.07 2pkr h LEU 216 N 0.00 0.88 0.00 0.00 3.38 -1.23 -1.33 115.31 117.01 2pkr h LEU 216 Ca 0.07 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2pkr h LEU 216 Cb 0.27 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2pkr h LEU 216 CO -0.00 0.92 -0.88 1.33 0.09 0.00 0.00 178.44 179.90 2pkr n VAL 217 N -4.35 0.20 -3.51 1.22 0.24 -0.81 -4.43 118.33 106.89 2pkr n VAL 217 Ca 0.02 -0.23 -0.27 0.00 -2.04 0.00 0.00 64.34 61.82 2pkr n VAL 217 Cb 0.27 0.14 -0.10 0.00 -1.47 0.00 0.00 33.84 32.68 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 -1.96 0.92 -0.37 1.34 4.77 0.17 -4.59 117.00 117.28 2pkr n LEU 218 Ca 0.03 -4.74 0.37 0.00 -0.03 0.00 0.00 56.01 51.64 2pkr n LEU 218 Cb 0.43 0.10 0.74 0.00 -2.33 0.00 0.00 43.42 42.36 2pkr n LEU 218 CO 0.39 1.87 1.34 -0.65 -1.33 0.00 0.00 177.39 179.01 2pkr h PRO 219 N 5.23 0.03 0.00 3.23 0.11 -1.46 0.72 132.00 139.86 2pkr h PRO 219 Ca 0.20 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2pkr h PRO 219 Cb 0.84 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2pkr h PRO 219 CO 0.52 0.02 0.00 -0.97 -0.21 0.00 0.00 178.00 177.35 2pkr h ASN 220 N 0.03 0.00 -0.25 -2.05 -1.24 -1.95 -2.21 115.58 107.91 2pkr h ASN 220 Ca 0.62 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.63 2pkr h ASN 220 Cb 2.41 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.46 2pkr h ASN 220 CO -0.04 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.28 2pkr n LEU 221 N -2.44 2.70 -4.65 0.34 4.77 0.24 -4.94 117.00 113.03 2pkr n LEU 221 Ca 0.01 -1.11 -0.47 0.00 -0.03 0.00 0.00 56.01 54.41 2pkr n LEU 221 Cb 0.21 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 2pkr n LEU 221 CO 0.20 0.56 1.09 1.17 -1.33 0.00 0.00 177.39 179.07 2pkr n LYS 222 N 1.02 1.90 -0.81 3.23 4.81 -0.83 -1.25 118.16 126.22 2pkr n LYS 222 Ca 0.18 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 2pkr n LYS 222 Cb 0.50 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.15 2pkr n LYS 222 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pkr n GLY 223 N 2.97 0.35 0.03 3.14 0.00 -1.26 -4.85 105.19 105.56 2pkr n GLY 223 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.53 0.42 -4.26 1.61 5.02 -0.38 -4.99 118.16 114.05 2pkr n LYS 224 Ca 0.00 -0.05 -0.19 0.00 -2.02 0.00 0.00 58.31 56.05 2pkr n LYS 224 Cb 0.10 -1.59 -0.11 0.00 -0.02 0.00 0.00 35.03 33.41 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 -4.21 2.42 0.23 -0.35 1.43 -1.26 -0.67 118.68 116.28 2pkr s LEU 225 Ca -0.00 -0.83 -0.21 0.00 -1.03 0.00 0.00 54.13 52.06 2pkr s LEU 225 Cb 0.14 -0.60 0.03 0.00 0.03 0.00 0.00 46.19 45.79 2pkr s LEU 225 CO 0.84 -0.13 0.64 0.21 0.23 0.00 0.00 176.35 178.15 2pkr s ASN 226 N -2.52 -0.34 0.00 2.29 2.47 -1.17 -4.46 114.94 111.20 2pkr s ASN 226 Ca 0.11 -0.43 0.00 0.00 0.42 0.00 0.00 52.86 52.96 2pkr s ASN 226 Cb -0.05 0.66 0.00 0.00 -1.45 0.00 0.00 41.25 40.41 2pkr s ASN 226 CO 0.04 -1.18 0.00 0.61 -3.72 0.00 0.00 177.10 172.84 2pkr n GLY 227 N -0.41 -1.28 3.43 1.21 0.00 -1.26 -1.17 105.19 105.72 2pkr n GLY 227 Ca -0.09 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.85 0.00 0.08 -0.61 -5.25 -0.69 -4.41 121.20 107.47 2pkr s ILE 228 Ca 0.00 -1.66 0.08 0.00 -0.99 0.00 0.00 60.65 58.07 2pkr s ILE 228 Cb 0.00 -2.44 -0.03 0.00 2.95 0.00 0.00 42.46 42.93 2pkr s ILE 228 CO 0.00 0.00 -0.20 0.00 -1.79 0.00 0.00 174.94 172.95 2pkr s ALA 229 N -3.70 1.72 -0.29 2.27 0.00 -0.74 -1.64 121.76 119.38 2pkr s ALA 229 Ca 0.31 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 51.14 2pkr s ALA 229 Cb 0.02 -0.27 0.08 0.00 0.00 0.00 0.00 23.12 22.95 2pkr s ALA 229 CO 0.15 0.36 0.01 -0.51 0.00 0.00 0.00 175.76 175.76 2pkr s LEU 230 N -1.60 3.44 0.16 0.00 1.43 0.67 -1.01 118.68 121.77 2pkr s LEU 230 Ca 0.06 -1.66 -0.30 0.00 -1.03 0.00 0.00 54.13 51.21 2pkr s LEU 230 Cb -0.09 -1.34 -0.07 0.00 0.03 0.00 0.00 46.19 44.72 2pkr s LEU 230 CO 0.03 -0.32 1.02 -0.13 0.23 0.00 0.00 176.35 177.18 2pkr s ARG 231 N 1.21 4.68 0.19 1.70 1.81 0.13 -1.03 118.95 127.64 2pkr s ARG 231 Ca 0.03 1.57 0.04 0.00 -1.72 0.00 0.00 55.73 55.65 2pkr s ARG 231 Cb -0.19 -3.32 -0.05 0.00 -0.45 0.00 0.00 34.95 30.95 2pkr s ARG 231 CO -0.10 0.21 -0.06 0.14 -0.68 0.00 0.00 175.30 174.81 2pkr s VAL 232 N -0.32 1.14 -0.20 3.52 -7.23 0.41 0.39 120.40 118.13 2pkr s VAL 232 Ca 0.47 -2.06 -0.02 0.00 -1.81 0.00 0.00 61.98 58.56 2pkr s VAL 232 Cb -0.26 -2.08 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 2pkr s VAL 232 CO 0.32 -0.55 1.39 -2.65 -0.31 0.00 0.00 175.10 173.31 2pkr n PRO 233 N -0.30 0.72 -4.44 4.82 -0.02 -1.26 -2.67 135.00 131.85 2pkr n PRO 233 Ca -0.08 -0.57 -0.20 0.00 -2.02 0.00 0.00 63.50 60.63 2pkr n PRO 233 Cb 0.62 -1.90 -0.15 0.00 -0.02 0.00 0.00 33.50 32.05 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 3.33 0.82 -0.09 3.45 -4.23 -1.26 -5.00 115.64 112.67 2pkr s THR 234 Ca 0.17 -0.42 0.30 0.00 -1.18 0.00 0.00 61.69 60.57 2pkr s THR 234 Cb 0.06 -0.71 0.37 0.00 1.34 0.00 0.00 72.50 73.56 2pkr s THR 234 CO -0.01 0.24 1.88 1.55 -0.54 0.00 0.00 174.62 177.74 2pkr h PRO 235 N 6.08 0.00 -1.63 3.99 0.13 -1.87 -1.53 132.00 137.17 2pkr h PRO 235 Ca -0.32 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.87 2pkr h PRO 235 Cb 1.17 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.08 2pkr h PRO 235 CO 0.49 0.00 0.48 1.21 -0.23 0.00 0.00 178.00 179.95 2pkr s ASN 236 N -5.62 -0.42 0.00 1.44 2.47 -1.26 -4.67 114.94 106.87 2pkr s ASN 236 Ca 0.03 0.50 0.00 0.00 0.42 0.00 0.00 52.86 53.80 2pkr s ASN 236 Cb 0.08 0.39 0.00 0.00 -1.45 0.00 0.00 41.25 40.28 2pkr s ASN 236 CO 0.56 -0.36 0.00 0.52 -3.72 0.00 0.00 177.10 174.09 2pkr n VAL 237 N 0.89 -0.54 -4.45 -5.21 0.31 -1.26 -4.89 118.33 103.18 2pkr n VAL 237 Ca -0.12 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 63.99 2pkr n VAL 237 Cb 0.58 -0.54 -0.09 0.00 -0.91 0.00 0.00 33.84 32.88 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 -0.39 2.35 -0.10 4.52 0.01 0.23 -3.81 113.70 116.52 2pkr s SER 238 Ca 0.00 -1.56 -0.06 0.00 1.31 0.00 0.00 55.95 55.64 2pkr s SER 238 Cb 0.00 0.31 0.04 0.00 0.21 0.00 0.00 66.02 66.58 2pkr s SER 238 CO 0.00 -0.83 0.24 0.54 0.41 0.00 0.00 173.24 173.60 2pkr s VAL 239 N -3.34 -0.02 -0.11 3.43 0.11 -0.75 -0.98 120.40 118.74 2pkr s VAL 239 Ca 0.30 0.09 -0.06 0.00 -2.93 0.00 0.00 61.98 59.38 2pkr s VAL 239 Cb 0.05 -0.36 -0.04 0.00 -1.53 0.00 0.00 36.38 34.51 2pkr s VAL 239 CO 0.15 0.04 0.10 0.68 -3.33 0.00 0.00 175.10 172.74 2pkr s VAL 240 N 0.79 5.20 -0.31 2.04 -7.23 0.28 -0.76 120.40 120.41 2pkr s VAL 240 Ca -0.05 0.09 0.04 0.00 -1.81 0.00 0.00 61.98 60.24 2pkr s VAL 240 Cb -0.07 -3.25 0.09 0.00 0.56 0.00 0.00 36.38 33.70 2pkr s VAL 240 CO -0.05 0.61 -0.01 -0.62 -0.31 0.00 0.00 175.10 174.72 2pkr s ASP 241 N -0.94 4.63 -0.17 4.85 2.15 0.51 -1.31 116.67 126.40 2pkr s ASP 241 Ca 0.14 -1.87 -0.06 0.00 0.43 0.00 0.00 52.55 51.20 2pkr s ASP 241 Cb -0.12 -1.58 -0.04 0.00 -0.30 0.00 0.00 42.92 40.88 2pkr s ASP 241 CO 0.03 -0.31 0.02 -0.22 -0.17 0.00 0.00 175.17 174.52 2pkr s LEU 242 N 0.99 3.59 -0.15 -1.34 2.96 -0.73 -0.77 118.68 123.21 2pkr s LEU 242 Ca 0.04 0.00 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 2pkr s LEU 242 Cb -0.19 -1.89 0.02 0.00 0.50 0.00 0.00 46.19 44.63 2pkr s LEU 242 CO -0.07 0.18 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.28 2pkr s VAL 243 N 0.34 1.77 0.04 1.68 1.01 -0.36 -0.15 120.40 124.72 2pkr s VAL 243 Ca 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.24 2pkr s VAL 243 Cb -0.13 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 2pkr s VAL 243 CO 0.01 0.49 -0.09 0.68 0.00 0.00 0.00 175.10 176.19 2pkr s VAL 244 N 1.30 0.69 -0.11 2.92 -7.23 -0.16 -0.56 120.40 117.25 2pkr s VAL 244 Ca 0.02 -0.94 -0.12 0.00 -1.81 0.00 0.00 61.98 59.13 2pkr s VAL 244 Cb -0.13 -0.69 -0.05 0.00 0.56 0.00 0.00 36.38 36.07 2pkr s VAL 244 CO -0.10 -0.21 0.29 -1.58 -0.31 0.00 0.00 175.10 173.20 2pkr s GLN 245 N -1.26 3.98 0.28 4.82 0.74 -0.39 -0.19 119.66 127.64 2pkr s GLN 245 Ca -0.05 0.13 0.11 0.00 0.05 0.00 0.00 55.36 55.60 2pkr s GLN 245 Cb -0.08 -3.32 -0.05 0.00 1.10 0.00 0.00 33.01 30.66 2pkr s GLN 245 CO 0.01 0.48 -0.12 0.14 -0.55 0.00 0.00 175.29 175.25 2pkr s VAL 246 N -0.29 2.81 0.12 1.34 -7.23 -0.29 -1.33 120.40 115.53 2pkr s VAL 246 Ca 0.18 -2.21 0.06 0.00 -1.81 0.00 0.00 61.98 58.20 2pkr s VAL 246 Cb -0.14 -2.53 -0.21 0.00 0.56 0.00 0.00 36.38 34.07 2pkr s VAL 246 CO 0.06 -0.37 1.28 0.77 -0.31 0.00 0.00 175.10 176.54 2pkr h SER 247 N 2.10 0.06 -3.69 4.85 4.64 0.18 -3.44 113.55 118.25 2pkr h SER 247 Ca -0.42 -0.06 -0.66 0.00 -0.47 0.00 0.00 61.79 60.18 2pkr h SER 247 Cb 1.26 -0.02 -0.17 0.00 -0.31 0.00 0.00 62.40 63.15 2pkr h SER 247 CO 0.61 1.02 -0.34 -0.75 -0.87 0.00 0.00 176.83 176.51 2pkr s LYS 248 N -2.77 3.58 0.44 4.77 2.20 -0.73 -5.05 119.74 122.18 2pkr s LYS 248 Ca 0.00 -0.45 -0.23 0.00 -0.36 0.00 0.00 55.97 54.94 2pkr s LYS 248 Cb 0.10 -3.80 -0.11 0.00 -1.51 0.00 0.00 37.83 32.51 2pkr s LYS 248 CO 0.83 -0.49 0.77 1.63 -0.36 0.00 0.00 175.35 177.73 2pkr n LYS 249 N 5.31 0.90 -2.14 4.03 5.02 -1.26 -4.89 118.16 125.14 2pkr n LYS 249 Ca -0.10 0.33 -0.03 0.00 -2.02 0.00 0.00 58.31 56.48 2pkr n LYS 249 Cb 0.50 -1.78 0.01 0.00 -0.02 0.00 0.00 35.03 33.73 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 -0.81 0.00 -4.09 -0.18 5.66 0.84 -5.01 114.28 110.70 2pkr n THR 250 Ca 0.11 -0.39 -0.09 0.00 -3.05 0.00 0.00 64.05 60.64 2pkr n THR 250 Cb 0.40 0.39 -0.09 0.00 -1.55 0.00 0.00 70.33 69.48 2pkr n THR 250 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2pkr s PHE 251 N -6.12 0.63 0.16 1.09 -0.71 -1.26 -4.61 117.98 107.15 2pkr s PHE 251 Ca 0.07 -1.08 -0.19 0.00 -1.04 0.00 0.00 56.93 54.69 2pkr s PHE 251 Cb -0.02 -0.37 0.06 0.00 -1.21 0.00 0.00 43.02 41.47 2pkr s PHE 251 CO 0.05 -0.49 1.66 0.00 -1.34 0.00 0.00 175.22 175.10 2pkr h ALA 252 N 2.94 0.12 -0.02 1.99 0.00 -1.88 -2.03 119.26 120.37 2pkr h ALA 252 Ca -0.34 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2pkr h ALA 252 Cb 1.18 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 2pkr h ALA 252 CO 0.60 -0.53 -0.11 0.93 0.00 0.00 0.00 179.25 180.15 2pkr h GLU 253 N -0.09 0.03 -0.29 0.00 3.07 -1.95 -0.28 114.58 115.06 2pkr h GLU 253 Ca 0.16 -0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.92 2pkr h GLU 253 Cb 0.33 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 2pkr h GLU 253 CO -0.37 0.14 -0.19 1.49 -1.40 0.00 0.00 179.01 178.67 2pkr h GLU 254 N 0.03 0.65 -0.40 2.33 4.81 -1.86 -1.34 114.58 118.81 2pkr h GLU 254 Ca 0.01 -0.31 0.01 0.00 -0.13 0.00 0.00 59.36 58.94 2pkr h GLU 254 Cb 0.21 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2pkr h GLU 254 CO 0.01 0.90 0.26 0.28 -0.73 0.00 0.00 179.01 179.73 2pkr h VAL 255 N 0.39 1.09 -0.83 0.32 2.07 -0.69 -0.42 116.25 118.18 2pkr h VAL 255 Ca 0.06 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.42 2pkr h VAL 255 Cb 0.74 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 2pkr h VAL 255 CO 0.05 0.10 0.54 0.78 0.02 0.00 0.00 177.57 179.06 2pkr h ASN 256 N 0.53 0.90 -0.17 0.57 -0.26 -0.93 -2.30 115.58 113.92 2pkr h ASN 256 Ca 0.15 -0.01 0.02 0.00 -0.56 0.00 0.00 56.30 55.89 2pkr h ASN 256 Cb -0.05 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 36.98 2pkr h ASN 256 CO -0.04 0.63 0.05 0.00 -1.06 0.00 0.00 177.43 177.02 2pkr h ALA 257 N 1.33 0.18 -0.90 -0.83 0.00 -0.65 -1.11 119.26 117.29 2pkr h ALA 257 Ca 0.32 0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.40 2pkr h ALA 257 Cb -0.03 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 2pkr h ALA 257 CO -0.10 -0.38 0.58 0.00 0.00 0.00 0.00 179.25 179.35 2pkr h ALA 258 N 1.11 1.85 -0.29 0.00 0.00 -0.55 -0.05 119.26 121.33 2pkr h ALA 258 Ca 0.07 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 2pkr h ALA 258 Cb 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2pkr h ALA 258 CO -0.08 -0.10 -0.52 0.74 0.00 0.00 0.00 179.25 179.29 2pkr h PHE 259 N 0.67 1.08 -0.63 0.00 0.04 -0.89 -2.84 116.94 114.38 2pkr h PHE 259 Ca 0.45 -0.38 -0.06 0.00 2.80 0.00 0.00 57.97 60.78 2pkr h PHE 259 Cb 0.76 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.68 2pkr h PHE 259 CO -0.00 1.21 0.13 0.00 -0.60 0.00 0.00 178.31 179.05 2pkr h ARG 260 N 0.65 1.00 -0.35 1.51 3.08 -0.08 0.21 114.38 120.40 2pkr h ARG 260 Ca 0.02 -0.23 0.04 0.00 0.07 0.00 0.00 59.98 59.87 2pkr h ARG 260 Cb 1.12 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.00 2pkr h ARG 260 CO 0.12 0.90 0.13 0.93 -1.07 0.00 0.00 179.97 180.97 2pkr h GLU 261 N 0.95 0.27 -0.40 0.04 5.08 -0.98 -0.18 114.58 119.36 2pkr h GLU 261 Ca 0.20 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.40 2pkr h GLU 261 Cb 0.36 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2pkr h GLU 261 CO 0.00 0.18 -0.30 0.77 -1.00 0.00 0.00 179.01 178.66 2pkr h SER 262 N 0.28 0.91 -0.66 1.42 0.02 -1.25 -2.83 113.55 111.44 2pkr h SER 262 Ca 0.16 -0.37 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2pkr h SER 262 Cb 0.13 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 2pkr h SER 262 CO -0.16 1.14 0.41 0.00 -1.14 0.00 0.00 176.83 177.08 2pkr h ALA 263 N 0.92 1.47 -0.00 3.77 0.00 -0.26 0.13 119.26 125.28 2pkr h ALA 263 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2pkr h ALA 263 Cb 0.86 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2pkr h ALA 263 CO 0.08 0.47 -0.10 -0.25 0.00 0.00 0.00 179.25 179.45 2pkr n ASP 264 N -4.41 0.44 0.00 0.00 8.00 -0.14 -3.03 116.55 117.40 2pkr n ASP 264 Ca 0.07 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 55.01 2pkr n ASP 264 Cb 0.06 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 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 -0.97 0.00 0.29 -2.24 3.02 -0.50 -4.83 115.26 110.03 2pkr n ASN 265 Ca 0.15 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.85 2pkr n ASN 265 Cb 0.27 0.00 0.92 0.00 -0.61 0.00 0.00 39.78 40.36 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 -1.78 -2.47 114.58 122.61 2pkr h GLU 266 Ca 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.33 2pkr h GLU 266 Cb 0.00 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.05 2pkr h GLU 266 CO 0.00 0.00 0.01 1.28 0.05 0.00 0.00 179.01 180.35 2pkr n LEU 267 N -3.79 4.12 -4.74 3.06 4.77 0.33 -4.99 117.00 115.75 2pkr n LEU 267 Ca -0.02 -3.29 -0.42 0.00 -0.03 0.00 0.00 56.01 52.25 2pkr n LEU 267 Cb 0.11 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 40.59 2pkr n LEU 267 CO 0.27 0.88 1.28 -0.75 -1.33 0.00 0.00 177.39 177.74 2pkr s LYS 268 N -2.99 4.14 0.00 3.23 2.20 -0.93 -1.05 119.74 124.34 2pkr s LYS 268 Ca 0.44 2.56 0.00 0.00 -0.36 0.00 0.00 55.97 58.61 2pkr s LYS 268 Cb 0.37 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.64 2pkr s LYS 268 CO 0.06 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 2pkr n GLY 269 N 2.84 1.88 0.57 5.54 0.00 -1.26 -4.79 105.19 109.98 2pkr n GLY 269 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 0.58 -5.20 -0.61 2.08 -0.21 -4.29 119.36 109.71 2pkr n ILE 270 Ca 0.00 -0.16 -0.32 0.00 0.56 0.00 0.00 62.75 62.84 2pkr n ILE 270 Cb 0.00 -1.52 -0.15 0.00 -0.75 0.00 0.00 39.64 37.22 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 -6.42 2.21 0.09 1.39 2.96 -0.48 0.13 118.68 118.57 2pkr s LEU 271 Ca -0.15 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.37 2pkr s LEU 271 Cb 0.05 -1.40 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 2pkr s LEU 271 CO 0.19 0.30 -0.09 -0.44 -1.32 0.00 0.00 176.35 174.99 2pkr s SER 272 N -0.49 1.31 -0.12 3.68 0.01 -0.17 -4.55 113.70 113.38 2pkr s SER 272 Ca 0.06 -0.82 0.03 0.00 1.31 0.00 0.00 55.95 56.53 2pkr s SER 272 Cb -0.11 0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.15 2pkr s SER 272 CO 0.01 -0.30 -0.21 -0.69 0.41 0.00 0.00 173.24 172.46 2pkr s VAL 273 N -2.57 1.95 -0.18 3.43 1.01 -1.26 -0.55 120.40 122.23 2pkr s VAL 273 Ca 0.05 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 2pkr s VAL 273 Cb -0.02 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 2pkr s VAL 273 CO -0.01 0.53 -0.07 0.00 0.00 0.00 0.00 175.10 175.55 2pkr n ASP 275 N 4.27 3.35 -4.84 0.00 8.00 -1.26 -2.21 116.55 123.85 2pkr n ASP 275 Ca -0.18 -1.97 -0.35 0.00 0.71 0.00 0.00 54.79 53.00 2pkr n ASP 275 Cb 0.52 -0.22 -0.06 0.00 -0.02 0.00 0.00 41.12 41.33 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 -1.46 4.01 -1.28 -1.24 0.41 -1.26 -4.84 118.70 113.04 2pkr s GLU 276 Ca 0.36 0.54 -0.18 0.00 -0.41 0.00 0.00 54.97 55.28 2pkr s GLU 276 Cb 0.21 -2.90 0.02 0.00 -1.78 0.00 0.00 34.13 29.68 2pkr s GLU 276 CO 0.30 0.45 1.93 -0.35 -0.49 0.00 0.00 175.26 177.09 2pkr n PRO 277 N 0.71 2.70 -2.99 0.39 -0.04 -1.26 -4.92 135.00 129.59 2pkr n PRO 277 Ca -0.04 -2.83 -0.18 0.00 -0.04 0.00 0.00 63.50 60.40 2pkr n PRO 277 Cb 0.52 -3.42 0.03 0.00 -0.04 0.00 0.00 33.50 30.59 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 4.37 3.41 0.32 1.53 1.43 -1.26 -5.14 118.68 123.34 2pkr s LEU 278 Ca 0.54 -0.56 0.05 0.00 -1.03 0.00 0.00 54.13 53.13 2pkr s LEU 278 Cb 0.07 -2.26 -0.06 0.00 0.03 0.00 0.00 46.19 43.97 2pkr s LEU 278 CO 0.04 -1.03 0.02 0.68 0.23 0.00 0.00 176.35 176.29 2pkr s VAL 279 N -2.51 1.40 0.29 -1.59 -7.23 -1.26 -5.05 120.40 104.44 2pkr s VAL 279 Ca 0.58 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.75 2pkr s VAL 279 Cb -0.08 -2.72 0.31 0.00 0.56 0.00 0.00 36.38 34.45 2pkr s VAL 279 CO 0.36 -0.09 1.65 0.77 -0.31 0.00 0.00 175.10 177.48 2pkr h SER 280 N 2.13 0.03 -0.11 4.85 4.64 -1.98 -0.69 113.55 122.43 2pkr h SER 280 Ca -0.41 0.20 0.03 0.00 -0.47 0.00 0.00 61.79 61.14 2pkr h SER 280 Cb 1.24 0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 63.58 2pkr h SER 280 CO 0.70 -0.16 0.08 -0.29 -0.87 0.00 0.00 176.83 176.30 2pkr h ILE 281 N 0.21 0.89 0.00 0.95 6.09 -1.97 -1.40 117.51 122.28 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 1.15 0.94 0.00 0.00 0.47 0.00 0.00 36.82 39.39 2pkr h ILE 281 CO -0.65 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 174.90 2pkr n ASP 282 N -4.43 0.59 -0.92 2.19 8.00 -0.26 -2.59 116.55 119.13 2pkr n ASP 282 Ca -0.00 0.64 0.12 0.00 0.71 0.00 0.00 54.79 56.25 2pkr n ASP 282 Cb 0.20 -0.77 0.25 0.00 -0.02 0.00 0.00 41.12 40.78 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 -2.15 0.28 -1.87 1.24 3.72 -0.53 -4.94 117.46 113.21 2pkr n PHE 283 Ca 0.03 -0.14 -0.41 0.00 -0.05 0.00 0.00 57.45 56.87 2pkr n PHE 283 Cb 0.24 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.76 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 -1.72 4.17 -1.43 -1.08 0.52 -1.07 -2.74 118.95 115.60 2pkr s ARG 284 Ca 0.35 2.48 -0.01 0.00 -0.52 0.00 0.00 55.73 58.03 2pkr s ARG 284 Cb 0.21 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.66 2pkr s ARG 284 CO 0.30 -0.49 0.10 0.00 0.02 0.00 0.00 175.30 175.23 2pkr s THR 286 N -2.90 4.69 -0.31 0.00 -4.23 -1.11 -4.97 115.64 106.81 2pkr s THR 286 Ca 0.05 1.28 0.21 0.00 -1.18 0.00 0.00 61.69 62.06 2pkr s THR 286 Cb -0.02 -3.93 0.27 0.00 1.34 0.00 0.00 72.50 70.15 2pkr s THR 286 CO 0.06 0.55 1.59 0.44 -0.54 0.00 0.00 174.62 176.72 2pkr h ASP 287 N 4.50 0.00 -4.06 3.99 3.32 -1.93 -3.33 116.42 118.91 2pkr h ASP 287 Ca -0.49 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.07 2pkr h ASP 287 Cb 1.21 0.00 0.16 0.00 0.22 0.00 0.00 39.33 40.92 2pkr h ASP 287 CO 0.64 0.14 0.23 0.68 -1.72 0.00 0.00 179.24 179.21 2pkr s VAL 288 N -3.18 2.63 0.03 -1.35 -7.23 -1.26 -4.78 120.40 105.25 2pkr s VAL 288 Ca 0.06 0.20 0.10 0.00 -1.81 0.00 0.00 61.98 60.53 2pkr s VAL 288 Cb 0.06 -2.59 -0.22 0.00 0.56 0.00 0.00 36.38 34.19 2pkr s VAL 288 CO 0.68 -0.27 0.94 0.28 -0.31 0.00 0.00 175.10 176.42 2pkr h SER 289 N -1.63 0.01 -3.74 4.85 0.02 -0.53 -3.43 113.55 109.10 2pkr h SER 289 Ca -0.49 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.31 2pkr h SER 289 Cb 1.28 -0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.56 2pkr h SER 289 CO 0.52 1.01 -0.32 -0.55 -1.14 0.00 0.00 176.83 176.36 2pkr s SER 290 N -6.38 -0.38 -0.16 3.07 0.15 -0.79 -4.14 113.70 105.07 2pkr s SER 290 Ca -0.02 0.72 -0.00 0.00 0.70 0.00 0.00 55.95 57.35 2pkr s SER 290 Cb 0.09 0.71 0.04 0.00 -1.71 0.00 0.00 66.02 65.14 2pkr s SER 290 CO 0.82 -0.14 -0.06 -0.89 1.20 0.00 0.00 173.24 174.18 2pkr s THR 291 N 0.43 1.15 0.11 6.45 2.01 -0.28 -1.00 115.64 124.51 2pkr s THR 291 Ca -0.02 -0.64 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 2pkr s THR 291 Cb -0.04 -1.30 -0.07 0.00 0.01 0.00 0.00 72.50 71.10 2pkr s THR 291 CO -0.02 0.15 1.18 -0.63 -0.69 0.00 0.00 174.62 174.61 2pkr s ILE 292 N 1.62 3.88 -0.87 1.82 -1.09 0.29 0.47 121.20 127.32 2pkr s ILE 292 Ca 0.01 1.45 -0.17 0.00 -2.23 0.00 0.00 60.65 59.71 2pkr s ILE 292 Cb -0.15 -3.93 0.17 0.00 -1.58 0.00 0.00 42.46 36.97 2pkr s ILE 292 CO -0.08 0.17 0.95 -0.62 -1.23 0.00 0.00 174.94 174.13 2pkr s ASP 293 N 0.61 6.68 0.28 3.58 -1.08 -0.03 -0.65 116.67 126.05 2pkr s ASP 293 Ca 0.56 -2.32 0.01 0.00 -0.52 0.00 0.00 52.55 50.27 2pkr s ASP 293 Cb -0.30 -2.31 0.65 0.00 -1.46 0.00 0.00 42.92 39.49 2pkr s ASP 293 CO 0.32 -0.84 1.71 0.77 0.52 0.00 0.00 175.17 177.65 2pkr h SER 294 N 8.36 0.32 0.33 -0.34 4.64 -1.74 -1.46 113.55 123.65 2pkr h SER 294 Ca 0.12 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2pkr h SER 294 Cb 1.03 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2pkr h SER 294 CO 0.94 0.04 0.00 -1.54 -0.87 0.00 0.00 176.83 175.40 2pkr n SER 295 N -5.02 0.00 -0.50 4.97 3.41 -1.26 -2.20 113.62 113.01 2pkr n SER 295 Ca 0.20 0.14 0.10 0.00 -0.26 0.00 0.00 58.87 59.05 2pkr n SER 295 Cb 0.58 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.32 2.00 -4.73 1.04 4.77 -0.55 -4.96 117.00 113.25 2pkr n LEU 296 Ca 0.07 -0.78 -0.42 0.00 -0.03 0.00 0.00 56.01 54.85 2pkr n LEU 296 Cb 0.13 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2pkr n LEU 296 CO 0.12 0.37 1.14 -0.89 -1.33 0.00 0.00 177.39 176.80 2pkr s THR 297 N -2.29 2.77 0.11 -5.08 2.01 -0.94 -4.70 115.64 107.52 2pkr s THR 297 Ca 0.18 0.59 0.03 0.00 0.31 0.00 0.00 61.69 62.80 2pkr s THR 297 Cb 0.17 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 2pkr s THR 297 CO 0.51 0.07 -0.08 -0.04 -0.69 0.00 0.00 174.62 174.39 2pkr s MET 298 N 0.41 0.90 -0.04 4.92 -1.94 -0.83 -4.84 119.30 117.88 2pkr s MET 298 Ca 0.64 -1.34 -0.01 0.00 -1.71 0.00 0.00 55.69 53.26 2pkr s MET 298 Cb -0.42 -0.38 0.03 0.00 2.01 0.00 0.00 34.83 36.08 2pkr s MET 298 CO 0.37 0.02 0.06 0.08 -0.01 0.00 0.00 175.02 175.54 2pkr s VAL 299 N -3.35 -0.10 -0.04 -6.03 1.01 -1.26 -1.06 120.40 109.58 2pkr s VAL 299 Ca 0.12 0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.47 2pkr s VAL 299 Cb 0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.25 2pkr s VAL 299 CO -0.02 0.14 -0.14 -0.04 0.00 0.00 0.00 175.10 175.04 2pkr s MET 300 N 1.72 2.48 -1.46 2.72 -1.94 0.28 -4.62 119.30 118.48 2pkr s MET 300 Ca -0.01 -0.71 -0.00 0.00 -1.71 0.00 0.00 55.69 53.25 2pkr s MET 300 Cb -0.12 -2.38 0.00 0.00 2.01 0.00 0.00 34.83 34.33 2pkr s MET 300 CO -0.03 0.62 0.03 0.41 -0.01 0.00 0.00 175.02 176.04 2pkr n GLY 301 N 2.17 -0.50 4.91 -0.03 0.00 -1.26 -1.35 105.19 109.14 2pkr n GLY 301 Ca -0.17 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2pkr n GLY 301 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pkr n ASP 302 N -1.95 0.00 0.00 1.61 8.00 -1.26 -4.38 116.55 118.57 2pkr n ASP 302 Ca -0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.30 2pkr n ASP 302 Cb 0.65 -0.86 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 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 0.00 0.62 -4.29 -2.24 5.68 -1.20 -0.11 116.55 115.02 2pkr n ASP 303 Ca 0.00 -1.08 -0.42 0.00 -0.50 0.00 0.00 54.79 52.79 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 -0.08 2.70 -0.20 0.11 1.75 -0.46 -1.14 119.30 121.98 2pkr s MET 304 Ca 0.00 -1.52 -0.13 0.00 -1.25 0.00 0.00 55.69 52.79 2pkr s MET 304 Cb 0.00 -3.94 -0.05 0.00 2.84 0.00 0.00 34.83 33.69 2pkr s MET 304 CO 0.00 -1.05 0.25 0.08 -0.65 0.00 0.00 175.02 173.65 2pkr s VAL 305 N 1.48 5.31 -0.20 10.11 1.01 0.74 -0.55 120.40 138.30 2pkr s VAL 305 Ca 0.04 0.41 -0.02 0.00 0.00 0.00 0.00 61.98 62.41 2pkr s VAL 305 Cb -0.25 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 2pkr s VAL 305 CO 0.03 0.35 -0.09 -0.75 0.00 0.00 0.00 175.10 174.63 2pkr s LYS 306 N 0.87 3.29 -0.07 2.72 2.20 -0.22 -0.98 119.74 127.55 2pkr s LYS 306 Ca 0.13 -0.68 0.05 0.00 -0.36 0.00 0.00 55.97 55.11 2pkr s LYS 306 Cb -0.13 -2.85 -0.00 0.00 -1.51 0.00 0.00 37.83 33.33 2pkr s LYS 306 CO 0.04 -0.14 -0.22 0.08 -0.36 0.00 0.00 175.35 174.75 2pkr s VAL 307 N 1.26 1.86 -0.24 4.02 1.01 0.79 -1.97 120.40 127.13 2pkr s VAL 307 Ca 0.03 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 2pkr s VAL 307 Cb -0.14 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 2pkr s VAL 307 CO -0.04 0.52 0.04 -0.63 0.00 0.00 0.00 175.10 174.99 2pkr s ILE 308 N 0.06 4.08 -0.04 2.22 -1.09 -1.26 -1.78 121.20 123.39 2pkr s ILE 308 Ca -0.08 -0.25 0.04 0.00 -2.23 0.00 0.00 60.65 58.13 2pkr s ILE 308 Cb -0.14 -2.90 -0.00 0.00 -1.58 0.00 0.00 42.46 37.84 2pkr s ILE 308 CO 0.05 0.37 -0.16 0.00 -1.23 0.00 0.00 174.94 173.96 2pkr s ALA 309 N 1.53 1.41 0.19 9.38 0.00 -0.43 -0.85 121.76 133.00 2pkr s ALA 309 Ca 0.06 -0.65 -0.05 0.00 0.00 0.00 0.00 51.96 51.32 2pkr s ALA 309 Cb -0.15 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.46 2pkr s ALA 309 CO 0.02 0.27 0.43 -1.58 0.00 0.00 0.00 175.76 174.90 2pkr s TRP 310 N -0.02 3.47 -0.26 0.00 0.52 0.18 -0.56 118.94 122.27 2pkr s TRP 310 Ca -0.02 0.57 -0.18 0.00 0.02 0.00 0.00 56.10 56.49 2pkr s TRP 310 Cb -0.10 -2.03 0.07 0.00 -1.15 0.00 0.00 33.47 30.26 2pkr s TRP 310 CO 0.01 0.36 0.65 1.52 0.02 0.00 0.00 176.95 179.51 2pkr s TYR 311 N -1.79 -0.88 -0.76 -1.98 1.13 -0.15 -1.12 117.35 111.79 2pkr s TYR 311 Ca 0.42 1.90 -0.26 0.00 -1.41 0.00 0.00 57.07 57.72 2pkr s TYR 311 Cb -0.12 0.43 0.04 0.00 -1.10 0.00 0.00 41.96 41.22 2pkr s TYR 311 CO 0.26 -0.43 1.27 0.34 -2.51 0.00 0.00 175.55 174.47 2pkr s ASP 312 N 1.06 6.20 0.62 -0.18 -1.08 -1.26 -0.60 116.67 121.43 2pkr s ASP 312 Ca -0.06 -0.61 0.34 0.00 -0.52 0.00 0.00 52.55 51.70 2pkr s ASP 312 Cb -0.05 -2.55 1.92 0.00 -1.46 0.00 0.00 42.92 40.78 2pkr s ASP 312 CO -0.10 -1.77 2.20 -0.55 0.52 0.00 0.00 175.17 175.47 2pkr h ASN 313 N 9.96 0.00 0.00 -0.34 -1.07 -1.91 -0.90 115.58 121.32 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 1.28 0.00 -0.48 -0.62 0.07 0.00 0.00 177.43 177.68 2pkr n GLU 314 N -3.51 0.37 0.07 4.14 1.02 -1.26 -4.14 120.64 117.34 2pkr n GLU 314 Ca -0.01 0.42 -0.13 0.00 -0.02 0.00 0.00 57.16 57.42 2pkr n GLU 314 Cb 0.19 -1.46 -0.09 0.00 -0.02 0.00 0.00 31.44 30.06 2pkr n GLU 314 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 2pkr h TRP 315 N -0.81 -0.20 -0.75 -0.32 2.91 -1.92 -1.24 115.95 113.63 2pkr h TRP 315 Ca 0.00 -0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.08 2pkr h TRP 315 Cb 0.48 0.07 -0.06 0.00 -0.51 0.00 0.00 29.16 29.14 2pkr h TRP 315 CO -0.21 0.19 0.43 0.78 -1.03 0.00 0.00 178.44 178.60 2pkr h GLY 316 N -0.65 1.12 0.80 2.65 0.00 -1.27 -1.08 103.07 104.63 2pkr h GLY 316 Ca -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 2pkr h GLY 316 CO 0.04 0.17 0.02 -1.82 0.00 0.00 0.00 176.54 174.95 2pkr h TYR 317 N 0.77 0.25 -0.61 5.60 3.20 -1.60 -2.74 116.97 121.85 2pkr h TYR 317 Ca 0.34 -0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.27 2pkr h TYR 317 Cb 0.22 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 2pkr h TYR 317 CO -0.06 0.43 0.41 0.77 -1.64 0.00 0.00 178.16 178.07 2pkr h SER 318 N 0.00 0.37 -0.24 -2.11 0.02 -0.60 0.14 113.55 111.14 2pkr h SER 318 Ca 0.04 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 2pkr h SER 318 Cb 0.32 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2pkr h SER 318 CO 0.00 0.22 -0.05 1.56 -1.14 0.00 0.00 176.83 177.43 2pkr h GLN 319 N 0.42 0.59 -0.28 3.45 1.08 -0.98 -1.77 115.11 117.61 2pkr h GLN 319 Ca 0.28 -0.15 -0.16 0.00 -1.45 0.00 0.00 58.65 57.17 2pkr h GLN 319 Cb 0.55 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 2pkr h GLN 319 CO -0.08 0.65 -0.46 0.00 -0.95 0.00 0.00 178.83 177.99 2pkr h ARG 320 N 0.55 0.74 -0.80 1.46 2.47 -0.50 -0.72 114.38 117.58 2pkr h ARG 320 Ca 0.11 -0.42 0.01 0.00 -1.26 0.00 0.00 59.98 58.42 2pkr h ARG 320 Cb 0.43 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.74 2pkr h ARG 320 CO 0.02 1.04 0.52 0.28 0.56 0.00 0.00 179.97 182.39 2pkr h VAL 321 N 0.59 1.21 -0.76 2.04 2.07 -0.55 0.74 116.25 121.59 2pkr h VAL 321 Ca 0.03 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 2pkr h VAL 321 Cb 1.02 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2pkr h VAL 321 CO 0.10 0.20 0.24 0.58 0.02 0.00 0.00 177.57 178.71 2pkr h VAL 322 N 1.09 1.26 -0.72 2.57 2.07 -1.08 0.25 116.25 121.69 2pkr h VAL 322 Ca 0.29 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 2pkr h VAL 322 Cb -0.11 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 2pkr h VAL 322 CO -0.06 0.36 0.24 0.44 0.02 0.00 0.00 177.57 178.57 2pkr h ASP 323 N 1.12 1.04 -0.40 0.57 3.32 -0.20 0.14 116.42 122.01 2pkr h ASP 323 Ca 0.24 -0.20 -0.13 0.00 0.02 0.00 0.00 57.03 56.97 2pkr h ASP 323 Cb 0.31 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2pkr h ASP 323 CO -0.01 0.96 -0.24 0.25 -1.72 0.00 0.00 179.24 178.48 2pkr h LEU 324 N 1.06 0.91 -0.64 1.55 5.85 -0.46 -2.19 115.31 121.39 2pkr h LEU 324 Ca 0.24 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.56 2pkr h LEU 324 Cb 0.28 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 2pkr h LEU 324 CO -0.01 1.13 0.41 0.00 -0.34 0.00 0.00 178.44 179.63 2pkr h ALA 325 N 0.81 0.83 -0.95 1.25 0.00 -0.50 -0.70 119.26 119.98 2pkr h ALA 325 Ca 0.08 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2pkr h ALA 325 Cb 0.81 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 2pkr h ALA 325 CO 0.07 0.18 0.61 -0.44 0.00 0.00 0.00 179.25 179.67 2pkr h ASP 326 N 0.81 0.96 -0.56 0.00 3.32 -0.49 -0.83 116.42 119.63 2pkr h ASP 326 Ca 0.25 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 2pkr h ASP 326 Cb -0.02 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 2pkr h ASP 326 CO -0.08 0.60 0.18 0.40 -1.72 0.00 0.00 179.24 178.62 2pkr h ILE 327 N 1.08 1.24 -0.67 0.35 2.04 -0.55 0.07 117.51 121.06 2pkr h ILE 327 Ca 0.42 -0.79 0.06 0.00 1.00 0.00 0.00 64.86 65.56 2pkr h ILE 327 Cb 0.21 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 2pkr h ILE 327 CO -0.19 0.29 0.37 0.58 0.00 0.00 0.00 178.15 179.21 2pkr h VAL 328 N 0.78 0.96 -0.51 1.67 2.07 0.08 -0.38 116.25 120.92 2pkr h VAL 328 Ca 0.18 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 2pkr h VAL 328 Cb 0.27 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2pkr h VAL 328 CO -0.01 0.12 -0.01 0.00 0.02 0.00 0.00 177.57 177.69 2pkr h ALA 329 N 1.36 0.69 0.00 1.67 0.00 -0.75 -2.51 119.26 119.71 2pkr h ALA 329 Ca 0.31 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2pkr h ALA 329 Cb 0.20 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2pkr h ALA 329 CO -0.19 0.51 -0.27 -0.91 0.00 0.00 0.00 179.25 178.39 2pkr h ASN 330 N 0.77 0.00 -0.54 0.00 -0.26 -0.09 -2.82 115.58 112.64 2pkr h ASN 330 Ca 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 2pkr h ASN 330 Cb 0.54 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.80 2pkr h ASN 330 CO 0.03 0.27 0.00 0.29 -1.06 0.00 0.00 177.43 176.96 2pkr n LYS 331 N -3.73 3.24 -1.95 0.81 4.76 -0.24 -5.00 118.16 116.04 2pkr n LYS 331 Ca -0.01 -2.63 -0.41 0.00 -2.87 0.00 0.00 58.31 52.39 2pkr n LYS 331 Cb 0.37 -1.67 -0.01 0.00 -1.84 0.00 0.00 35.03 31.88 2pkr n LYS 331 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 2pkr s TRP 332 N -1.60 2.86 -0.84 2.13 -0.11 -0.96 -4.52 118.94 115.90 2pkr s TRP 332 Ca 0.42 1.18 0.07 0.00 1.22 0.00 0.00 56.10 58.99 2pkr s TRP 332 Cb 0.26 -3.87 0.05 0.00 -1.50 0.00 0.00 33.47 28.42 2pkr s TRP 332 CO 0.22 -2.59 0.71 1.04 -4.62 0.00 0.00 176.95 171.71