#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pkr s LEU 1 N 0.00 4.28 -0.30 3.14 2.96 0.07 -4.89 118.68 123.93 2pkr s LEU 1 Ca 0.00 0.10 -0.28 0.00 -0.22 0.00 0.00 54.13 53.72 2pkr s LEU 1 Cb 0.00 -2.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.04 2pkr s LEU 1 CO 0.00 -0.46 1.83 -0.54 -1.32 0.00 0.00 176.35 175.86 2pkr s LYS 2 N 2.42 3.37 -0.09 1.98 1.02 -1.26 -1.36 119.74 125.82 2pkr s LYS 2 Ca 0.20 1.53 -0.01 0.00 0.02 0.00 0.00 55.97 57.71 2pkr s LYS 2 Cb -0.15 -4.20 -0.03 0.00 -0.52 0.00 0.00 37.83 32.93 2pkr s LYS 2 CO 0.13 -1.81 -0.03 0.08 -0.92 0.00 0.00 175.35 172.79 2pkr s VAL 3 N 6.84 4.01 -0.04 3.17 1.01 0.11 -1.18 120.40 134.31 2pkr s VAL 3 Ca 0.82 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 62.49 2pkr s VAL 3 Cb -0.24 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 2pkr s VAL 3 CO 0.34 0.59 -0.21 0.00 0.00 0.00 0.00 175.10 175.82 2pkr s ALA 4 N -0.72 2.38 -0.28 5.51 0.00 -0.15 -1.50 121.76 127.00 2pkr s ALA 4 Ca 0.11 -1.04 -0.07 0.00 0.00 0.00 0.00 51.96 50.96 2pkr s ALA 4 Cb -0.11 -0.77 -0.00 0.00 0.00 0.00 0.00 23.12 22.23 2pkr s ALA 4 CO 0.02 0.51 0.08 0.42 0.00 0.00 0.00 175.76 176.79 2pkr s ILE 5 N -0.53 4.12 -0.32 0.00 1.01 -0.71 -0.06 121.20 124.70 2pkr s ILE 5 Ca 0.07 -0.49 -0.10 0.00 0.00 0.00 0.00 60.65 60.13 2pkr s ILE 5 Cb -0.11 -3.05 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 2pkr s ILE 5 CO 0.01 0.17 0.17 0.21 0.00 0.00 0.00 174.94 175.50 2pkr s ASN 6 N 1.55 5.65 0.00 3.58 2.47 -0.58 -0.57 114.94 127.04 2pkr s ASN 6 Ca 0.04 -0.53 0.00 0.00 0.42 0.00 0.00 52.86 52.79 2pkr s ASN 6 Cb -0.16 -2.03 0.00 0.00 -1.45 0.00 0.00 41.25 37.61 2pkr s ASN 6 CO 0.03 -0.21 0.00 0.61 -3.72 0.00 0.00 177.10 173.81 2pkr n GLY 7 N 5.00 -0.75 2.43 1.21 0.00 -0.89 -0.68 105.19 111.52 2pkr n GLY 7 Ca -0.13 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 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 0.08 1.63 -1.01 1.61 7.35 -1.24 -4.05 117.46 121.81 2pkr n PHE 8 Ca 0.00 -2.09 0.00 0.00 -0.76 0.00 0.00 57.45 54.60 2pkr n PHE 8 Cb 0.00 -1.52 0.00 0.00 0.35 0.00 0.00 39.48 38.31 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 1.29 0.95 0.21 7.13 0.00 -1.26 -4.47 105.19 109.04 2pkr n GLY 9 Ca 0.52 -1.83 -0.01 0.00 0.00 0.00 0.00 46.02 44.69 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 0.18 -0.10 1.61 2.47 -1.92 0.52 114.38 117.14 2pkr h ARG 10 Ca 0.00 -0.01 -0.14 0.00 -1.26 0.00 0.00 59.98 58.57 2pkr h ARG 10 Cb 0.00 -0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.29 2pkr h ARG 10 CO 0.00 0.12 -0.47 0.82 0.56 0.00 0.00 179.97 181.00 2pkr h ILE 11 N 0.19 1.37 -0.73 2.04 1.08 -1.91 -1.12 117.51 118.43 2pkr h ILE 11 Ca 0.28 -1.80 0.06 0.00 -0.39 0.00 0.00 64.86 63.00 2pkr h ILE 11 Cb 0.41 2.21 -0.06 0.00 -3.07 0.00 0.00 36.82 36.31 2pkr h ILE 11 CO -0.40 0.54 0.43 1.23 -0.69 0.00 0.00 178.15 179.26 2pkr h GLY 12 N 0.08 1.08 1.32 5.37 0.00 -1.54 0.24 103.07 109.62 2pkr h GLY 12 Ca -0.03 -0.31 -0.25 0.00 0.00 0.00 0.00 47.33 46.74 2pkr h GLY 12 CO 0.10 0.21 -0.97 3.21 0.00 0.00 0.00 176.54 179.09 2pkr h ARG 13 N 0.80 0.62 -0.80 4.80 3.08 0.01 -2.39 114.38 120.50 2pkr h ARG 13 Ca 0.32 -0.64 -0.03 0.00 0.07 0.00 0.00 59.98 59.70 2pkr h ARG 13 Cb 0.16 0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 2pkr h ARG 13 CO -0.17 1.24 0.39 -0.91 -1.07 0.00 0.00 179.97 179.45 2pkr h ASN 14 N 0.37 1.04 0.24 7.04 2.35 -0.93 -1.62 115.58 124.06 2pkr h ASN 14 Ca -0.10 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.51 2pkr h ASN 14 Cb 1.61 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.70 2pkr h ASN 14 CO 0.18 0.88 -0.20 0.15 -1.65 0.00 0.00 177.43 176.80 2pkr h PHE 15 N 1.13 -0.51 -0.59 1.19 3.57 -0.49 0.47 116.94 121.70 2pkr h PHE 15 Ca 0.27 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.84 2pkr h PHE 15 Cb 0.11 0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 2pkr h PHE 15 CO 0.01 -0.30 0.29 1.25 -2.23 0.00 0.00 178.31 177.33 2pkr h LEU 16 N -0.45 0.39 -0.54 0.59 6.46 -1.10 0.33 115.31 121.00 2pkr h LEU 16 Ca -0.01 0.04 -0.13 0.00 -0.12 0.00 0.00 57.88 57.66 2pkr h LEU 16 Cb 0.40 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 2pkr h LEU 16 CO -0.02 0.25 -0.22 0.03 -0.62 0.00 0.00 178.44 177.86 2pkr h ARG 17 N 0.54 0.95 -0.40 1.25 3.08 -1.00 0.10 114.38 118.89 2pkr h ARG 17 Ca 0.28 -0.40 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 2pkr h ARG 17 Cb 0.23 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2pkr h ARG 17 CO -0.21 1.07 0.24 0.00 -1.07 0.00 0.00 179.97 179.99 2pkr h TRP 18 N 0.53 1.05 -0.29 0.00 7.01 -0.74 -2.56 115.95 120.96 2pkr h TRP 18 Ca 0.14 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 61.08 2pkr h TRP 18 Cb 0.01 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 26.73 2pkr h TRP 18 CO -0.03 0.80 0.18 1.25 -2.79 0.00 0.00 178.44 177.84 2pkr h HIS 18 N 1.01 0.37 0.00 2.65 2.76 -0.41 -1.03 115.15 120.49 2pkr h HIS 18 Ca 0.24 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 2pkr h HIS 18 Cb 0.16 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.00 2pkr h HIS 18 CO 0.01 0.24 0.00 0.41 -1.30 0.00 0.00 177.93 177.29 2pkr n GLY 19 N -1.47 -1.45 3.83 5.26 0.00 -0.83 -4.86 105.19 105.67 2pkr n GLY 19 Ca 0.01 -0.10 -0.32 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 -2.98 3.86 -0.11 1.61 1.81 -0.39 -5.05 118.95 117.70 2pkr s ARG 20 Ca 0.14 1.05 -0.04 0.00 -1.72 0.00 0.00 55.73 55.16 2pkr s ARG 20 Cb 0.18 -2.12 -0.04 0.00 -0.45 0.00 0.00 34.95 32.53 2pkr s ARG 20 CO 0.51 -0.35 0.07 -1.59 -0.68 0.00 0.00 175.30 173.25 2pkr s LYS 21 N -3.89 3.25 -1.17 3.54 0.00 -1.26 -4.60 119.74 115.61 2pkr s LYS 21 Ca 0.61 -0.28 -0.24 0.00 0.00 0.00 0.00 55.97 56.06 2pkr s LYS 21 Cb -0.11 -2.99 0.00 0.00 0.00 0.00 0.00 37.83 34.73 2pkr s LYS 21 CO 0.29 0.71 0.75 -0.25 0.00 0.00 0.00 175.35 176.85 2pkr n ASP 22 N 2.17 -4.84 -4.77 0.03 8.00 -1.26 -4.92 116.55 110.96 2pkr n ASP 22 Ca -0.19 -1.09 -0.38 0.00 0.71 0.00 0.00 54.79 53.84 2pkr n ASP 22 Cb 0.54 -2.96 -0.06 0.00 -0.02 0.00 0.00 41.12 38.62 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 -3.52 7.43 0.00 -2.24 0.15 -1.26 -4.93 113.70 109.33 2pkr s SER 23 Ca 0.46 1.91 0.21 0.00 0.70 0.00 0.00 55.95 59.24 2pkr s SER 23 Cb -0.19 -2.59 0.86 0.00 -1.71 0.00 0.00 66.02 62.39 2pkr s SER 23 CO 0.89 -0.00 1.61 -0.81 1.20 0.00 0.00 173.24 176.13 2pkr n PRO 24 N 0.92 1.58 -4.45 5.44 -0.04 -1.26 -4.84 135.00 132.36 2pkr n PRO 24 Ca 0.00 -0.88 -0.34 0.00 -0.04 0.00 0.00 63.50 62.24 2pkr n PRO 24 Cb 0.49 -1.39 -0.10 0.00 -0.04 0.00 0.00 33.50 32.46 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 3.44 -0.27 1.53 1.43 -1.26 -0.75 118.68 121.18 2pkr s LEU 25 Ca 0.32 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 2pkr s LEU 25 Cb 0.17 -1.79 0.08 0.00 0.03 0.00 0.00 46.19 44.68 2pkr s LEU 25 CO 0.26 0.37 0.03 -0.62 0.23 0.00 0.00 176.35 176.62 2pkr s ASP 26 N -0.90 3.93 -0.54 2.29 2.15 -0.47 -4.88 116.67 118.25 2pkr s ASP 26 Ca 0.13 -1.44 -0.28 0.00 0.43 0.00 0.00 52.55 51.40 2pkr s ASP 26 Cb -0.11 -1.06 0.03 0.00 -0.30 0.00 0.00 42.92 41.48 2pkr s ASP 26 CO 0.02 -0.33 1.12 -0.69 -0.17 0.00 0.00 175.17 175.13 2pkr s VAL 27 N 1.46 4.15 -0.11 1.11 1.01 -1.26 0.09 120.40 126.85 2pkr s VAL 27 Ca 0.03 0.87 0.17 0.00 0.00 0.00 0.00 61.98 63.05 2pkr s VAL 27 Cb -0.18 -4.65 -0.25 0.00 0.00 0.00 0.00 36.38 31.30 2pkr s VAL 27 CO -0.13 -1.20 0.22 1.33 0.00 0.00 0.00 175.10 175.32 2pkr n VAL 28 N 6.62 0.67 -3.97 2.92 0.24 -0.56 -4.84 118.33 119.42 2pkr n VAL 28 Ca 0.08 -0.61 -0.09 0.00 -2.04 0.00 0.00 64.34 61.68 2pkr n VAL 28 Cb 0.49 -0.27 -0.09 0.00 -1.47 0.00 0.00 33.84 32.50 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 -2.83 0.16 -0.02 3.34 0.11 -1.22 -0.49 120.40 119.45 2pkr s VAL 29 Ca -0.08 -1.29 0.01 0.00 -2.93 0.00 0.00 61.98 57.69 2pkr s VAL 29 Cb 0.08 -1.07 0.02 0.00 -1.53 0.00 0.00 36.38 33.88 2pkr s VAL 29 CO 0.75 -0.71 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.17 2pkr s ILE 30 N -3.04 0.24 -0.46 7.04 1.01 0.59 -1.73 121.20 124.84 2pkr s ILE 30 Ca -0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 60.65 60.49 2pkr s ILE 30 Cb 0.01 -0.29 0.08 0.00 0.01 0.00 0.00 42.46 42.27 2pkr s ILE 30 CO -0.07 0.13 0.37 0.21 0.00 0.00 0.00 174.94 175.58 2pkr s ASN 31 N 0.66 6.02 -0.26 3.58 2.47 0.26 -0.75 114.94 126.93 2pkr s ASN 31 Ca -0.07 -1.40 0.02 0.00 0.42 0.00 0.00 52.86 51.83 2pkr s ASN 31 Cb -0.10 -2.14 0.07 0.00 -1.45 0.00 0.00 41.25 37.63 2pkr s ASN 31 CO -0.01 -0.63 -0.05 -0.62 -3.72 0.00 0.00 177.10 172.07 2pkr s ASP 32 N 2.53 4.15 0.32 -4.21 -1.08 -0.43 -2.09 116.67 115.87 2pkr s ASP 32 Ca 0.04 -1.40 0.24 0.00 -0.52 0.00 0.00 52.55 50.91 2pkr s ASP 32 Cb -0.24 -1.33 1.16 0.00 -1.46 0.00 0.00 42.92 41.05 2pkr s ASP 32 CO 0.05 -0.25 1.74 0.71 0.52 0.00 0.00 175.17 177.94 2pkr h THR 33 N 6.68 0.00 0.00 1.71 1.35 -1.93 -2.12 112.91 118.60 2pkr h THR 33 Ca -0.16 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2pkr h THR 33 Cb 1.05 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2pkr h THR 33 CO 0.44 0.00 -0.09 0.61 -0.25 0.00 0.00 175.52 176.23 2pkr n GLY 34 N -0.65 -1.54 0.00 5.82 0.00 -1.26 -4.96 105.19 102.60 2pkr n GLY 34 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 1.42 1.00 0.06 -0.02 0.00 -0.80 -4.45 105.19 102.41 2pkr n GLY 36 Ca 0.06 -2.07 -0.13 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 1.33 -0.36 1.61 2.07 -1.87 -2.16 116.25 116.87 2pkr h VAL 37 Ca 0.00 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.55 2pkr h VAL 37 Cb 0.00 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 2pkr h VAL 37 CO 0.00 0.26 0.17 0.11 0.02 0.00 0.00 177.57 178.13 2pkr h LYS 38 N -0.35 0.34 -0.83 1.57 1.57 -1.95 -0.58 116.57 116.33 2pkr h LYS 38 Ca 0.01 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2pkr h LYS 38 Cb 0.43 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 2pkr h LYS 38 CO 0.00 0.23 0.48 0.37 -0.57 0.00 0.00 179.45 179.96 2pkr h GLN 39 N 0.35 1.15 -0.53 3.15 4.15 -1.77 -0.30 115.11 121.31 2pkr h GLN 39 Ca 0.15 -0.12 -0.08 0.00 0.77 0.00 0.00 58.65 59.37 2pkr h GLN 39 Cb 0.08 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 2pkr h GLN 39 CO -0.12 0.83 0.01 0.00 -1.93 0.00 0.00 178.83 177.62 2pkr h ALA 40 N 1.26 0.71 -0.11 3.38 0.00 -0.91 -1.62 119.26 121.97 2pkr h ALA 40 Ca 0.30 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2pkr h ALA 40 Cb -0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2pkr h ALA 40 CO -0.05 0.52 -0.02 1.03 0.00 0.00 0.00 179.25 180.73 2pkr h SER 41 N 0.80 0.20 0.13 0.00 0.87 -0.82 -2.67 113.55 112.07 2pkr h SER 41 Ca 0.15 -0.35 0.01 0.00 -1.23 0.00 0.00 61.79 60.37 2pkr h SER 41 Cb 0.52 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 2pkr h SER 41 CO 0.03 0.51 -0.17 -0.74 -0.53 0.00 0.00 176.83 175.92 2pkr h HIS 42 N -0.11 -0.44 0.00 2.24 6.17 -1.01 -1.77 115.15 120.23 2pkr h HIS 42 Ca 0.03 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.11 2pkr h HIS 42 Cb 0.41 0.18 0.00 0.00 2.52 0.00 0.00 27.41 30.52 2pkr h HIS 42 CO 0.05 -0.25 0.00 -0.07 0.71 0.00 0.00 177.93 178.36 2pkr h LEU 43 N -0.35 0.00 0.19 0.26 3.38 -1.38 0.21 115.31 117.63 2pkr h LEU 43 Ca 0.02 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.68 2pkr h LEU 43 Cb 0.35 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.12 2pkr h LEU 43 CO -0.07 0.00 -1.37 0.25 0.09 0.00 0.00 178.44 177.34 2pkr h LEU 44 N 0.00 0.69 0.04 1.67 5.85 -1.21 -3.35 115.31 119.00 2pkr h LEU 44 Ca 0.00 -0.72 -0.00 0.00 0.84 0.00 0.00 57.88 57.99 2pkr h LEU 44 Cb 0.57 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2pkr h LEU 44 CO 0.00 1.56 -0.02 0.50 -0.34 0.00 0.00 178.44 180.14 2pkr h LYS 45 N 0.13 -0.06 -5.01 1.25 1.63 -0.89 -3.41 116.57 110.22 2pkr h LYS 45 Ca -0.20 0.00 -0.64 0.00 -0.85 0.00 0.00 60.65 58.96 2pkr h LYS 45 Cb 2.07 0.01 -0.21 0.00 -0.60 0.00 0.00 32.23 33.50 2pkr h LYS 45 CO 0.25 0.57 -0.61 0.71 -3.45 0.00 0.00 179.45 176.92 2pkr s TYR 46 N -3.20 3.11 -0.10 1.91 2.02 0.72 -0.45 117.35 121.37 2pkr s TYR 46 Ca -0.15 -0.31 -0.01 0.00 -0.37 0.00 0.00 57.07 56.22 2pkr s TYR 46 Cb -0.00 -2.21 0.03 0.00 -0.40 0.00 0.00 41.96 39.37 2pkr s TYR 46 CO 0.60 -0.26 -0.04 0.34 -1.57 0.00 0.00 175.55 174.62 2pkr s ASP 47 N 1.40 1.93 0.43 2.29 -1.08 -1.22 -4.44 116.67 115.97 2pkr s ASP 47 Ca 0.05 -0.21 0.30 0.00 -0.52 0.00 0.00 52.55 52.17 2pkr s ASP 47 Cb -0.15 -0.65 1.52 0.00 -1.46 0.00 0.00 42.92 42.18 2pkr s ASP 47 CO 0.04 -0.16 1.90 0.28 0.52 0.00 0.00 175.17 177.75 2pkr h SER 48 N 8.25 0.00 0.00 -0.34 0.02 -1.94 0.32 113.55 119.86 2pkr h SER 48 Ca -0.25 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.46 2pkr h SER 48 Cb 1.13 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.63 2pkr h SER 48 CO 0.34 0.00 -1.87 -0.38 -1.14 0.00 0.00 176.83 173.78 2pkr n ILE 49 N -2.57 0.86 0.50 3.27 5.41 -1.26 -4.70 119.36 120.88 2pkr n ILE 49 Ca -0.01 -0.28 0.12 0.00 1.00 0.00 0.00 62.75 63.57 2pkr n ILE 49 Cb 0.10 -1.32 0.13 0.00 -0.71 0.00 0.00 39.64 37.84 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 -0.24 0.00 0.00 1.39 3.38 -1.98 -3.51 115.31 114.35 2pkr h LEU 50 Ca -0.36 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2pkr h LEU 50 Cb 1.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.20 2pkr h LEU 50 CO -0.13 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.11 2pkr n GLY 51 N 1.32 -0.79 3.72 0.83 0.00 0.11 -4.87 105.19 105.52 2pkr n GLY 51 Ca 0.03 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.02 3.14 0.08 2.61 2.01 -1.26 -3.44 115.64 117.76 2pkr s THR 52 Ca 0.00 0.86 -0.31 0.00 0.31 0.00 0.00 61.69 62.55 2pkr s THR 52 Cb 0.00 -3.55 -0.09 0.00 0.01 0.00 0.00 72.50 68.87 2pkr s THR 52 CO 0.00 0.09 1.68 0.12 -0.69 0.00 0.00 174.62 175.82 2pkr s PHE 53 N 0.78 2.37 -1.34 4.92 5.36 0.40 -4.90 117.98 125.57 2pkr s PHE 53 Ca 0.63 0.26 -0.13 0.00 -0.96 0.00 0.00 56.93 56.73 2pkr s PHE 53 Cb -0.38 -4.00 0.10 0.00 -0.34 0.00 0.00 43.02 38.40 2pkr s PHE 53 CO 0.33 -4.03 1.93 -3.47 -1.46 0.00 0.00 175.22 168.52 2pkr n ASP 54 N 5.63 4.61 -3.57 6.13 2.03 -1.26 -4.82 116.55 125.30 2pkr n ASP 54 Ca 0.16 -2.95 -0.11 0.00 0.52 0.00 0.00 54.79 52.41 2pkr n ASP 54 Cb 0.40 -1.61 -0.05 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 2.37 -1.92 -0.45 -1.67 0.00 -1.26 -5.11 121.76 113.72 2pkr s ALA 55 Ca 0.46 1.55 -0.29 0.00 0.00 0.00 0.00 51.96 53.68 2pkr s ALA 55 Cb 0.09 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.59 2pkr s ALA 55 CO -0.02 -0.32 1.33 -0.51 0.00 0.00 0.00 175.76 176.24 2pkr s ASP 56 N -1.15 6.39 -0.08 0.00 1.01 -1.26 -4.86 116.67 116.72 2pkr s ASP 56 Ca -0.02 0.64 0.04 0.00 0.71 0.00 0.00 52.55 53.92 2pkr s ASP 56 Cb -0.00 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 2pkr s ASP 56 CO 0.02 -1.43 -0.21 -0.69 0.21 0.00 0.00 175.17 173.07 2pkr s VAL 57 N 5.25 2.36 0.14 -1.27 1.01 -1.26 0.48 120.40 127.11 2pkr s VAL 57 Ca 0.56 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 61.36 2pkr s VAL 57 Cb -0.11 -1.90 0.07 0.00 0.00 0.00 0.00 36.38 34.44 2pkr s VAL 57 CO 0.31 0.56 0.66 -1.59 0.00 0.00 0.00 175.10 175.05 2pkr s LYS 58 N -0.00 1.23 0.59 2.72 -2.85 -0.97 -5.00 119.74 115.46 2pkr s LYS 58 Ca -0.07 -0.47 -0.16 0.00 -1.00 0.00 0.00 55.97 54.27 2pkr s LYS 58 Cb -0.15 0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 36.13 2pkr s LYS 58 CO 0.05 -0.54 1.05 0.95 0.10 0.00 0.00 175.35 176.96 2pkr s THR 59 N -3.64 3.87 -0.44 3.79 -4.23 -1.26 -0.96 115.64 112.77 2pkr s THR 59 Ca 0.02 0.88 0.02 0.00 -1.18 0.00 0.00 61.69 61.44 2pkr s THR 59 Cb -0.01 -3.41 0.14 0.00 1.34 0.00 0.00 72.50 70.56 2pkr s THR 59 CO -0.11 -0.53 0.27 0.00 -0.54 0.00 0.00 174.62 173.71 2pkr s ALA 60 N -2.48 1.93 0.00 3.99 0.00 0.19 -4.72 121.76 120.67 2pkr s ALA 60 Ca 0.63 -2.53 0.00 0.00 0.00 0.00 0.00 51.96 50.06 2pkr s ALA 60 Cb -0.15 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.16 2pkr s ALA 60 CO 0.37 -2.06 0.00 0.41 0.00 0.00 0.00 175.76 174.47 2pkr n GLY 60 N 3.41 -0.82 0.16 0.00 0.00 -1.26 -3.15 105.19 103.53 2pkr n GLY 60 Ca 0.13 -1.21 0.12 0.00 0.00 0.00 0.00 46.02 45.06 2pkr n GLY 60 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pkr n ASP 61 N 0.61 0.99 -2.17 1.61 5.75 -1.26 -4.57 116.55 117.51 2pkr n ASP 61 Ca 0.00 -0.78 -0.01 0.00 -0.01 0.00 0.00 54.79 53.99 2pkr n ASP 61 Cb 0.00 0.35 0.04 0.00 -1.03 0.00 0.00 41.12 40.48 2pkr n ASP 61 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2pkr n SER 62 N -0.97 0.18 -3.58 -1.12 3.41 -1.26 -4.81 113.62 105.48 2pkr n SER 62 Ca 0.08 -2.07 -0.07 0.00 -0.26 0.00 0.00 58.87 56.56 2pkr n SER 62 Cb 0.36 0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.30 2pkr n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pkr s ALA 63 N -1.24 -1.76 0.31 7.33 0.00 -1.19 -1.36 121.76 123.86 2pkr s ALA 63 Ca 0.19 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.88 2pkr s ALA 63 Cb 0.31 0.51 -0.06 0.00 0.00 0.00 0.00 23.12 23.89 2pkr s ALA 63 CO -0.09 -0.81 0.07 0.96 0.00 0.00 0.00 175.76 175.90 2pkr s ILE 64 N -3.20 1.00 0.01 0.00 -4.36 -0.33 0.56 121.20 114.88 2pkr s ILE 64 Ca 0.07 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.48 2pkr s ILE 64 Cb -0.01 -2.74 -0.01 0.00 1.25 0.00 0.00 42.46 40.95 2pkr s ILE 64 CO -0.06 0.00 -0.05 -0.94 0.24 0.00 0.00 174.94 174.13 2pkr s SER 65 N -3.45 0.62 -0.25 4.36 1.04 -0.13 -0.20 113.70 115.68 2pkr s SER 65 Ca 0.36 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.52 2pkr s SER 65 Cb 0.08 -0.01 0.07 0.00 0.10 0.00 0.00 66.02 66.26 2pkr s SER 65 CO 0.15 -0.06 -0.01 -0.69 0.98 0.00 0.00 173.24 173.61 2pkr s VAL 66 N -0.65 1.33 -1.47 5.02 1.01 -0.43 -2.28 120.40 122.93 2pkr s VAL 66 Ca -0.04 -1.24 -0.10 0.00 0.00 0.00 0.00 61.98 60.60 2pkr s VAL 66 Cb -0.05 -1.73 0.05 0.00 0.00 0.00 0.00 36.38 34.65 2pkr s VAL 66 CO -0.00 -0.26 0.87 0.47 0.00 0.00 0.00 175.10 176.19 2pkr n ASP 67 N 4.72 -5.24 0.00 3.32 8.00 0.18 -1.97 116.55 125.57 2pkr n ASP 67 Ca -0.08 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 54.84 2pkr n ASP 67 Cb 0.44 -4.19 0.00 0.00 -0.02 0.00 0.00 41.12 37.35 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 3.18 3.64 0.44 0.00 -1.26 -5.01 105.19 104.53 2pkr n GLY 68 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.46 4.04 0.16 1.61 2.20 -0.83 -4.99 119.74 121.46 2pkr s LYS 69 Ca 0.00 1.03 -0.30 0.00 -0.36 0.00 0.00 55.97 56.34 2pkr s LYS 69 Cb 0.00 -3.75 -0.07 0.00 -1.51 0.00 0.00 37.83 32.50 2pkr s LYS 69 CO 0.00 -0.94 0.98 0.08 -0.36 0.00 0.00 175.35 175.10 2pkr s VAL 70 N 3.73 4.29 -0.12 4.02 1.01 -1.26 -1.31 120.40 130.76 2pkr s VAL 70 Ca 0.46 2.01 0.01 0.00 0.00 0.00 0.00 61.98 64.46 2pkr s VAL 70 Cb -0.12 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 32.00 2pkr s VAL 70 CO 0.17 0.36 -0.15 -0.63 0.00 0.00 0.00 175.10 174.85 2pkr s ILE 71 N -0.35 1.51 0.55 2.22 1.01 0.72 -4.93 121.20 121.93 2pkr s ILE 71 Ca 0.46 -0.64 -0.20 0.00 0.00 0.00 0.00 60.65 60.27 2pkr s ILE 71 Cb -0.25 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.78 2pkr s ILE 71 CO 0.31 0.44 1.19 -0.75 0.00 0.00 0.00 174.94 176.14 2pkr s LYS 72 N 1.10 3.22 -0.09 2.79 2.47 0.36 -1.18 119.74 128.40 2pkr s LYS 72 Ca -0.04 1.80 -0.01 0.00 -1.56 0.00 0.00 55.97 56.16 2pkr s LYS 72 Cb -0.14 -2.06 0.03 0.00 -1.46 0.00 0.00 37.83 34.19 2pkr s LYS 72 CO -0.03 -1.00 -0.04 0.08 0.16 0.00 0.00 175.35 174.52 2pkr s VAL 73 N -1.60 0.71 0.44 4.02 1.01 -0.47 -0.30 120.40 124.21 2pkr s VAL 73 Ca 0.73 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.68 2pkr s VAL 73 Cb -0.29 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 2pkr s VAL 73 CO 0.33 0.31 0.13 0.68 0.00 0.00 0.00 175.10 176.55 2pkr s VAL 74 N 1.84 1.98 -0.25 2.92 -7.23 0.07 -4.52 120.40 115.21 2pkr s VAL 74 Ca 0.05 -1.80 -0.02 0.00 -1.81 0.00 0.00 61.98 58.39 2pkr s VAL 74 Cb -0.12 -2.78 0.12 0.00 0.56 0.00 0.00 36.38 34.15 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 -3.89 1.21 -0.29 4.85 0.15 -1.26 -1.31 113.70 113.16 2pkr s SER 75 Ca 0.33 -0.33 -0.12 0.00 0.70 0.00 0.00 55.95 56.53 2pkr s SER 75 Cb 0.05 0.61 0.12 0.00 -1.71 0.00 0.00 66.02 65.09 2pkr s SER 75 CO 0.18 -0.34 0.68 -0.62 1.20 0.00 0.00 173.24 174.34 2pkr s ASP 76 N 2.39 -1.05 0.40 5.45 -1.08 -1.26 -4.97 116.67 116.56 2pkr s ASP 76 Ca 0.09 1.51 0.29 0.00 -0.52 0.00 0.00 52.55 53.92 2pkr s ASP 76 Cb -0.15 1.99 1.13 0.00 -1.46 0.00 0.00 42.92 44.44 2pkr s ASP 76 CO -0.21 -0.22 1.84 0.03 0.52 0.00 0.00 175.17 177.13 2pkr h ARG 77 N 7.65 0.00 -4.42 4.34 3.08 -1.99 -3.40 114.38 119.63 2pkr h ARG 77 Ca -0.22 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.11 2pkr h ARG 77 Cb 1.14 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.96 2pkr h ARG 77 CO 0.12 0.00 -0.40 1.21 -1.07 0.00 0.00 179.97 179.83 2pkr s ASN 78 N -5.03 6.05 0.44 7.04 3.84 -1.26 -4.97 114.94 121.05 2pkr s ASN 78 Ca 0.03 -1.14 0.13 0.00 0.21 0.00 0.00 52.86 52.09 2pkr s ASN 78 Cb 0.09 -2.14 1.02 0.00 -0.55 0.00 0.00 41.25 39.67 2pkr s ASN 78 CO 0.49 -0.53 2.00 -0.65 -2.79 0.00 0.00 177.10 175.62 2pkr h PRO 79 N 8.65 0.39 -0.11 0.43 0.11 -1.90 -2.23 132.00 137.35 2pkr h PRO 79 Ca -0.27 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.85 2pkr h PRO 79 Cb 1.11 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 2pkr h PRO 79 CO 0.79 0.26 0.11 -0.39 -0.21 0.00 0.00 178.00 178.56 2pkr h VAL 80 N 0.40 0.58 -0.09 3.15 -1.51 -1.94 -0.99 116.25 115.86 2pkr h VAL 80 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.71 2pkr h VAL 80 Cb 0.41 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 30.49 2pkr h VAL 80 CO -0.06 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.87 2pkr n ASN 81 N -3.95 1.87 -4.78 4.19 5.03 -0.84 -4.33 115.26 112.45 2pkr n ASN 81 Ca -0.00 -1.66 -0.37 0.00 0.87 0.00 0.00 54.58 53.42 2pkr n ASN 81 Cb 0.21 -0.05 -0.03 0.00 -1.02 0.00 0.00 39.78 38.89 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 -1.83 4.13 -0.06 3.41 1.43 -0.38 -4.94 118.68 120.43 2pkr s LEU 82 Ca 0.35 2.12 -0.01 0.00 -1.03 0.00 0.00 54.13 55.57 2pkr s LEU 82 Cb 0.20 -4.17 0.02 0.00 0.03 0.00 0.00 46.19 42.27 2pkr s LEU 82 CO 0.31 -0.58 2.11 -0.81 0.23 0.00 0.00 176.35 177.61 2pkr n PRO 83 N -0.11 1.22 -0.05 1.29 -0.04 -1.26 -4.54 135.00 131.51 2pkr n PRO 83 Ca 0.05 -0.37 -0.12 0.00 -0.04 0.00 0.00 63.50 63.02 2pkr n PRO 83 Cb 0.49 -1.19 -0.06 0.00 -0.04 0.00 0.00 33.50 32.71 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 1.23 0.30 0.33 0.54 -0.00 -1.90 -0.74 115.95 115.72 2pkr h TRP 84 Ca 0.07 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.89 58.89 2pkr h TRP 84 Cb 1.01 -0.08 0.00 0.00 -0.00 0.00 0.00 29.16 30.09 2pkr h TRP 84 CO 0.44 0.48 -0.16 0.78 -0.00 0.00 0.00 178.44 179.98 2pkr h GLY 85 N 0.04 -0.47 0.31 1.49 0.00 -0.82 0.51 103.07 104.13 2pkr h GLY 85 Ca 0.05 0.17 0.17 0.00 0.00 0.00 0.00 47.33 47.72 2pkr h GLY 85 CO 0.01 -0.17 0.61 -0.55 0.00 0.00 0.00 176.54 176.43 2pkr h ASP 86 N -0.48 0.72 0.71 0.19 3.32 -1.79 -0.58 116.42 118.50 2pkr h ASP 86 Ca -0.05 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2pkr h ASP 86 Cb 0.37 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2pkr h ASP 86 CO 0.08 0.31 -0.31 0.23 -1.72 0.00 0.00 179.24 177.83 2pkr n MET 87 N -4.64 0.01 -1.44 3.56 2.81 -0.29 -4.94 117.12 112.18 2pkr n MET 87 Ca 0.20 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 56.08 2pkr n MET 87 Cb 0.53 -1.51 -0.00 0.00 -0.71 0.00 0.00 33.22 31.53 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 1.49 0.43 3.68 3.03 0.00 0.04 -4.97 105.19 108.89 2pkr n GLY 88 Ca 0.06 -0.93 -0.45 0.00 0.00 0.00 0.00 46.02 44.70 2pkr n GLY 88 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2pkr n ILE 89 N -3.37 0.41 -0.04 -0.61 2.08 -0.43 -4.82 119.36 112.58 2pkr n ILE 89 Ca -0.02 -0.07 -0.20 0.00 0.56 0.00 0.00 62.75 63.02 2pkr n ILE 89 Cb 0.24 -1.98 -0.13 0.00 -0.75 0.00 0.00 39.64 37.02 2pkr n ILE 89 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 2pkr h ASP 90 N 8.54 0.19 -3.44 4.38 3.32 -1.50 -2.56 116.42 125.35 2pkr h ASP 90 Ca -0.47 -0.78 -0.39 0.00 0.02 0.00 0.00 57.03 55.41 2pkr h ASP 90 Cb 1.24 -0.06 -0.35 0.00 0.22 0.00 0.00 39.33 40.38 2pkr h ASP 90 CO 0.94 1.46 -0.76 -0.22 -1.72 0.00 0.00 179.24 178.93 2pkr s LEU 91 N -7.78 1.15 -0.22 1.55 2.96 -0.70 -0.92 118.68 114.72 2pkr s LEU 91 Ca -0.22 -0.08 -0.10 0.00 -0.22 0.00 0.00 54.13 53.51 2pkr s LEU 91 Cb 0.03 -0.36 -0.05 0.00 0.50 0.00 0.00 46.19 46.31 2pkr s LEU 91 CO 0.70 -0.09 0.13 -0.69 -1.32 0.00 0.00 176.35 175.08 2pkr s VAL 92 N 1.12 5.25 -0.58 1.68 1.01 -0.22 -0.98 120.40 127.69 2pkr s VAL 92 Ca -0.08 0.14 -0.21 0.00 0.00 0.00 0.00 61.98 61.83 2pkr s VAL 92 Cb -0.14 -3.42 0.07 0.00 0.00 0.00 0.00 36.38 32.89 2pkr s VAL 92 CO -0.01 0.39 0.79 -0.63 0.00 0.00 0.00 175.10 175.64 2pkr s ILE 93 N 0.78 4.63 -0.68 2.22 -1.09 0.91 -0.63 121.20 127.34 2pkr s ILE 93 Ca 0.07 -0.49 -0.27 0.00 -2.23 0.00 0.00 60.65 57.73 2pkr s ILE 93 Cb -0.13 -4.50 0.02 0.00 -1.58 0.00 0.00 42.46 36.27 2pkr s ILE 93 CO 0.02 -1.13 1.37 -0.70 -1.23 0.00 0.00 174.94 173.27 2pkr s GLU 94 N 3.25 3.16 -0.17 2.79 -6.30 0.43 -1.52 118.70 120.34 2pkr s GLU 94 Ca 0.18 0.03 0.14 0.00 -2.50 0.00 0.00 54.97 52.82 2pkr s GLU 94 Cb -0.19 -4.18 0.40 0.00 0.00 0.00 0.00 34.13 30.15 2pkr s GLU 94 CO 0.11 -2.15 1.20 0.41 0.02 0.00 0.00 175.26 174.85 2pkr n GLY 95 N 5.37 4.55 0.11 -1.50 0.00 0.15 -1.17 105.19 112.70 2pkr n GLY 95 Ca 0.07 -1.21 0.02 0.00 0.00 0.00 0.00 46.02 44.90 2pkr n GLY 95 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pkr h THR 96 N 1.67 0.56 0.00 2.61 1.35 -1.81 -3.43 112.91 113.86 2pkr h THR 96 Ca -0.03 -1.96 0.00 0.00 -0.55 0.00 0.00 66.41 63.87 2pkr h THR 96 Cb 1.11 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 2pkr h THR 96 CO 0.01 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 2pkr n GLY 97 N 1.32 0.80 0.00 5.82 0.00 -1.26 -4.86 105.19 107.01 2pkr n GLY 97 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.30 0.00 -3.33 1.61 0.24 -1.26 -4.75 118.33 108.53 2pkr n VAL 98 Ca 0.00 -0.26 -0.30 0.00 -2.04 0.00 0.00 64.34 61.74 2pkr n VAL 98 Cb 0.01 0.72 -0.06 0.00 -1.47 0.00 0.00 33.84 33.04 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 -1.41 3.40 0.81 6.34 3.72 -1.26 -4.85 117.46 124.20 2pkr n PHE 99 Ca 0.00 -3.85 0.10 0.00 -0.05 0.00 0.00 57.45 53.64 2pkr n PHE 99 Cb 0.14 -0.69 0.06 0.00 -0.94 0.00 0.00 39.48 38.05 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 0.91 0.00 -3.66 -4.37 0.24 -1.26 -3.74 118.33 106.46 2pkr n VAL 100 Ca 0.29 -0.46 -0.22 0.00 -2.04 0.00 0.00 64.34 61.91 2pkr n VAL 100 Cb 0.39 1.36 -0.03 0.00 -1.47 0.00 0.00 33.84 34.10 2pkr n VAL 100 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2pkr s ASP 101 N -1.73 4.91 0.21 -1.34 -4.77 -1.26 -0.69 116.67 112.01 2pkr s ASP 101 Ca 0.21 -0.87 -0.10 0.00 -3.30 0.00 0.00 52.55 48.49 2pkr s ASP 101 Cb 0.16 -0.35 0.16 0.00 -1.09 0.00 0.00 42.92 41.80 2pkr s ASP 101 CO 0.29 -0.75 1.88 0.03 0.70 0.00 0.00 175.17 177.32 2pkr h ARG 102 N 0.99 1.02 -0.44 2.11 3.08 -1.94 0.80 114.38 120.00 2pkr h ARG 102 Ca -0.40 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 59.50 2pkr h ARG 102 Cb 1.27 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 2pkr h ARG 102 CO 0.58 0.68 -0.05 0.38 -1.07 0.00 0.00 179.97 180.49 2pkr h ASP 103 N 1.05 0.73 0.05 7.04 2.03 -1.95 0.25 116.42 125.62 2pkr h ASP 103 Ca 0.28 -0.19 -0.00 0.00 -0.73 0.00 0.00 57.03 56.39 2pkr h ASP 103 Cb -0.10 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.20 2pkr h ASP 103 CO -0.06 0.83 -0.03 1.23 -1.03 0.00 0.00 179.24 180.19 2pkr h GLY 104 N 0.97 -0.07 2.00 7.15 0.00 -1.85 -3.24 103.07 108.03 2pkr h GLY 104 Ca 0.13 0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.43 2pkr h GLY 104 CO 0.03 -0.03 -0.27 0.00 0.00 0.00 0.00 176.54 176.27 2pkr h ALA 105 N -0.17 1.51 0.00 3.60 0.00 -0.86 -2.44 119.26 120.89 2pkr h ALA 105 Ca -0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2pkr h ALA 105 Cb 0.64 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2pkr h ALA 105 CO 0.01 0.34 -0.02 0.78 0.00 0.00 0.00 179.25 180.37 2pkr h GLY 106 N 0.87 0.00 1.84 0.00 0.00 -0.55 -1.99 103.07 103.23 2pkr h GLY 106 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 2pkr h GLY 106 CO 0.04 0.00 0.06 0.50 0.00 0.00 0.00 176.54 177.14 2pkr h LYS 107 N 0.00 0.00 -0.20 4.80 1.57 -1.46 0.34 116.57 121.62 2pkr h LYS 107 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2pkr h LYS 107 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2pkr h LYS 107 CO 0.00 0.00 -0.34 0.45 -0.57 0.00 0.00 179.45 178.99 2pkr h HIS 108 N 0.00 0.49 -0.31 -1.35 3.86 -1.55 -1.79 115.15 114.50 2pkr h HIS 108 Ca 0.04 -0.12 -0.14 0.00 -1.16 0.00 0.00 60.37 58.98 2pkr h HIS 108 Cb 0.16 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 2pkr h HIS 108 CO 0.00 0.72 -0.38 -0.07 0.86 0.00 0.00 177.93 179.06 2pkr h LEU 109 N 0.36 0.76 -0.65 2.43 3.38 -0.53 -1.48 115.31 119.58 2pkr h LEU 109 Ca 0.04 -0.34 0.07 0.00 0.09 0.00 0.00 57.88 57.75 2pkr h LEU 109 Cb 0.78 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 2pkr h LEU 109 CO 0.06 1.06 0.33 -0.61 0.09 0.00 0.00 178.44 179.36 2pkr h GLN 110 N 0.60 0.57 0.00 1.13 4.15 -0.83 -0.81 115.11 119.93 2pkr h GLN 110 Ca 0.05 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2pkr h GLN 110 Cb 0.91 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.47 2pkr h GLN 110 CO 0.08 0.38 0.00 0.00 -1.93 0.00 0.00 178.83 177.36 2pkr n ALA 111 N -2.38 1.96 0.00 3.38 0.00 -0.71 -4.88 120.51 117.88 2pkr n ALA 111 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2pkr n ALA 111 Cb 0.22 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 0.32 1.18 3.77 0.00 0.00 -0.31 -0.41 105.19 109.75 2pkr n GLY 112 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.02 3.16 0.09 4.61 0.00 -0.59 -3.77 121.76 123.23 2pkr s ALA 113 Ca 0.00 1.11 0.06 0.00 0.00 0.00 0.00 51.96 53.13 2pkr s ALA 113 Cb 0.00 -3.44 -0.23 0.00 0.00 0.00 0.00 23.12 19.45 2pkr s ALA 113 CO 0.00 -0.74 1.16 0.87 0.00 0.00 0.00 175.76 177.05 2pkr h LYS 114 N 2.51 0.05 -3.17 0.00 1.57 -1.39 -3.38 116.57 112.76 2pkr h LYS 114 Ca -0.49 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.11 2pkr h LYS 114 Cb 1.25 0.03 -0.18 0.00 0.08 0.00 0.00 32.23 33.41 2pkr h LYS 114 CO 0.62 0.97 -0.22 0.21 -0.57 0.00 0.00 179.45 180.45 2pkr s LYS 115 N -2.68 0.80 -0.06 3.15 2.20 -0.10 -4.88 119.74 118.17 2pkr s LYS 115 Ca -0.01 -0.39 0.03 0.00 -0.36 0.00 0.00 55.97 55.24 2pkr s LYS 115 Cb 0.09 0.35 0.01 0.00 -1.51 0.00 0.00 37.83 36.77 2pkr s LYS 115 CO 0.83 -0.25 -0.15 0.08 -0.36 0.00 0.00 175.35 175.50 2pkr s VAL 116 N -2.22 1.28 -0.26 4.02 1.01 0.12 -1.05 120.40 123.30 2pkr s VAL 116 Ca -0.07 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.34 2pkr s VAL 116 Cb -0.02 -1.13 0.06 0.00 0.00 0.00 0.00 36.38 35.29 2pkr s VAL 116 CO -0.01 0.38 -0.11 -0.22 0.00 0.00 0.00 175.10 175.14 2pkr s LEU 117 N 0.37 3.41 -0.12 3.92 0.20 0.19 -0.93 118.68 125.72 2pkr s LEU 117 Ca -0.10 -1.39 -0.28 0.00 0.69 0.00 0.00 54.13 53.05 2pkr s LEU 117 Cb -0.14 -1.54 -0.01 0.00 -0.43 0.00 0.00 46.19 44.07 2pkr s LEU 117 CO 0.03 -0.19 0.94 -0.63 -0.29 0.00 0.00 176.35 176.21 2pkr s ILE 118 N 1.11 4.83 -0.10 6.68 1.01 0.25 -0.43 121.20 134.55 2pkr s ILE 118 Ca -0.09 1.89 -0.06 0.00 0.00 0.00 0.00 60.65 62.39 2pkr s ILE 118 Cb -0.20 -4.25 -0.20 0.00 0.01 0.00 0.00 42.46 37.82 2pkr s ILE 118 CO -0.05 0.03 3.46 0.35 0.00 0.00 0.00 174.94 178.72 2pkr n THR 119 N 4.56 3.07 -3.75 2.92 -2.24 -0.32 -1.60 114.28 116.92 2pkr n THR 119 Ca 0.07 -1.80 0.03 0.00 -2.27 0.00 0.00 64.05 60.07 2pkr n THR 119 Cb 0.49 -1.92 0.00 0.00 -2.10 0.00 0.00 70.33 66.80 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 -2.48 0.33 6.98 0.00 -1.23 -4.94 121.76 120.89 2pkr s ALA 120 Ca 0.65 0.54 -0.29 0.00 0.00 0.00 0.00 51.96 52.87 2pkr s ALA 120 Cb 0.33 0.54 -0.10 0.00 0.00 0.00 0.00 23.12 23.89 2pkr s ALA 120 CO -0.04 -1.10 1.39 -2.14 0.00 0.00 0.00 175.76 173.86 2pkr s PRO 121 N -2.13 4.27 0.30 0.00 0.02 -1.25 -3.69 135.00 132.52 2pkr s PRO 121 Ca 0.21 2.34 -0.10 0.00 0.02 0.00 0.00 61.00 63.47 2pkr s PRO 121 Cb 0.04 -3.05 -0.07 0.00 0.02 0.00 0.00 34.50 31.44 2pkr s PRO 121 CO -0.04 -0.33 0.64 0.20 -0.33 0.00 0.00 177.00 177.14 2pkr s GLY 122 N -0.20 2.12 -0.13 0.52 0.00 -1.26 -4.93 107.32 103.43 2pkr s GLY 122 Ca 0.52 -0.25 -0.10 0.00 0.00 0.00 0.00 44.72 44.89 2pkr s GLY 122 CO 0.54 -0.10 0.21 0.54 0.00 0.00 0.00 173.10 174.29 2pkr s LYS 122 N -3.26 3.88 1.67 2.90 -0.14 0.14 -4.85 119.74 120.07 2pkr s LYS 122 Ca 0.49 -0.03 0.00 0.00 -1.36 0.00 0.00 55.97 55.07 2pkr s LYS 122 Cb -0.11 -3.31 0.00 0.00 -1.68 0.00 0.00 37.83 32.74 2pkr s LYS 122 CO 0.25 0.52 0.00 0.41 -0.76 0.00 0.00 175.35 175.77 2pkr n GLY 123 N 2.67 -0.83 3.37 -3.33 0.00 -1.26 -4.12 105.19 101.69 2pkr n GLY 123 Ca -0.16 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 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 0.38 4.85 -3.88 1.61 2.03 -1.26 -4.90 116.55 115.38 2pkr n ASP 124 Ca 0.00 -2.93 -0.28 0.00 0.52 0.00 0.00 54.79 52.10 2pkr n ASP 124 Cb 0.00 -1.68 -0.16 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 3.20 1.08 -0.19 5.18 1.01 -1.26 -4.97 121.20 125.24 2pkr s ILE 125 Ca 0.49 -0.61 -0.40 0.00 0.00 0.00 0.00 60.65 60.13 2pkr s ILE 125 Cb 0.04 -1.26 -0.17 0.00 0.01 0.00 0.00 42.46 41.09 2pkr s ILE 125 CO 0.03 0.12 1.57 -2.65 0.00 0.00 0.00 174.94 174.02 2pkr n PRO 126 N 4.89 0.92 -4.55 2.79 -0.02 -1.26 -4.66 135.00 133.11 2pkr n PRO 126 Ca -0.12 0.34 -0.34 0.00 -2.02 0.00 0.00 63.50 61.36 2pkr n PRO 126 Cb 0.48 -1.97 -0.12 0.00 -0.02 0.00 0.00 33.50 31.87 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 2.41 3.76 0.03 3.45 2.01 -1.26 -0.50 115.64 125.55 2pkr s THR 127 Ca 0.95 -0.44 0.03 0.00 0.31 0.00 0.00 61.69 62.55 2pkr s THR 127 Cb -1.11 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 2pkr s THR 127 CO 0.62 0.56 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.70 2pkr s TYR 128 N -0.33 0.85 -0.16 4.92 2.02 -0.02 -4.78 117.35 119.85 2pkr s TYR 128 Ca 0.05 -0.36 -0.01 0.00 -0.37 0.00 0.00 57.07 56.39 2pkr s TYR 128 Cb -0.12 -0.51 0.04 0.00 -0.40 0.00 0.00 41.96 40.97 2pkr s TYR 128 CO 0.02 -0.02 -0.05 0.08 -1.57 0.00 0.00 175.55 174.02 2pkr s VAL 129 N -0.92 1.03 0.10 0.71 1.01 -1.26 -4.08 120.40 116.99 2pkr s VAL 129 Ca -0.03 -0.55 -0.31 0.00 0.00 0.00 0.00 61.98 61.10 2pkr s VAL 129 Cb -0.08 -1.20 -0.09 0.00 0.00 0.00 0.00 36.38 35.01 2pkr s VAL 129 CO 0.01 0.14 1.73 -0.69 0.00 0.00 0.00 175.10 176.29 2pkr s VAL 130 N 1.67 2.80 0.00 2.92 1.01 -1.26 -1.06 120.40 126.48 2pkr s VAL 130 Ca 0.01 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.29 2pkr s VAL 130 Cb -0.15 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2pkr s VAL 130 CO -0.08 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.63 2pkr n GLY 131 N 4.09 0.29 0.87 4.51 0.00 -1.26 -4.91 105.19 108.78 2pkr n GLY 131 Ca 0.17 0.00 -0.01 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 -1.62 0.06 -1.87 1.61 0.31 -0.22 -4.93 118.33 111.66 2pkr n VAL 132 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2pkr n VAL 132 Cb 0.00 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 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 -2.99 0.00 0.26 4.52 2.04 -0.95 -4.94 115.26 113.20 2pkr n ASN 133 Ca -0.02 -1.40 0.12 0.00 -0.44 0.00 0.00 54.58 52.84 2pkr n ASN 133 Cb 0.52 -0.08 0.76 0.00 -2.53 0.00 0.00 39.78 38.45 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 0.00 0.00 0.00 -3.83 9.09 -1.94 -1.42 114.58 116.48 2pkr h GLU 134 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2pkr h GLU 134 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 2pkr h GLU 134 CO 0.00 0.00 0.01 0.39 0.05 0.00 0.00 179.01 179.46 2pkr n GLU 135 N -4.22 0.06 0.00 1.06 1.02 -1.26 -0.96 120.64 116.34 2pkr n GLU 135 Ca -0.02 0.56 0.13 0.00 -0.02 0.00 0.00 57.16 57.81 2pkr n GLU 135 Cb 0.12 -1.71 0.47 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 -1.41 -1.12 3.77 0.62 0.00 -0.53 -4.90 105.19 101.61 2pkr n GLY 136 Ca -0.01 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 2pkr n GLY 136 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2pkr s TYR 137 N -2.76 3.14 0.06 1.61 5.04 -0.13 -5.05 117.35 119.26 2pkr s TYR 137 Ca 0.19 1.44 0.04 0.00 -2.44 0.00 0.00 57.07 56.30 2pkr s TYR 137 Cb 0.19 -3.62 -0.03 0.00 0.35 0.00 0.00 41.96 38.85 2pkr s TYR 137 CO 0.56 -1.69 -0.12 0.95 -1.34 0.00 0.00 175.55 173.92 2pkr s THR 138 N -1.05 0.89 0.52 4.34 -4.23 -1.26 -5.02 115.64 109.83 2pkr s THR 138 Ca 0.49 -1.24 0.39 0.00 -1.18 0.00 0.00 61.69 60.15 2pkr s THR 138 Cb -0.39 -0.91 0.39 0.00 1.34 0.00 0.00 72.50 72.94 2pkr s THR 138 CO 0.50 -0.30 2.20 -0.74 -0.54 0.00 0.00 174.62 175.75 2pkr h HIS 139 N 4.34 0.00 0.00 3.99 2.76 -1.97 -2.04 115.15 122.23 2pkr h HIS 139 Ca -0.39 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.78 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 0.64 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 177.27 2pkr h ALA 140 N 1.92 1.00 -1.91 5.26 0.00 -1.95 -3.42 119.26 120.16 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 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2pkr h ALA 140 CO 0.00 0.00 1.15 -0.51 0.00 0.00 0.00 179.25 179.89 2pkr s ASP 141 N -5.40 6.23 0.26 0.00 1.01 -0.77 -4.86 116.67 113.14 2pkr s ASP 141 Ca -0.00 1.29 0.16 0.00 0.71 0.00 0.00 52.55 54.71 2pkr s ASP 141 Cb 0.10 -2.53 0.06 0.00 1.01 0.00 0.00 42.92 41.56 2pkr s ASP 141 CO 0.49 -1.44 1.35 0.71 0.21 0.00 0.00 175.17 176.49 2pkr h THR 142 N 6.44 0.68 -3.37 -1.27 1.35 -1.90 -3.44 112.91 111.40 2pkr h THR 142 Ca -0.32 -2.01 -0.37 0.00 -0.55 0.00 0.00 66.41 63.17 2pkr h THR 142 Cb 1.14 2.28 -0.37 0.00 -1.73 0.00 0.00 68.15 69.48 2pkr h THR 142 CO 1.03 0.39 -0.75 -0.63 -0.25 0.00 0.00 175.52 175.32 2pkr s ILE 143 N -3.00 0.07 0.21 6.82 1.01 -1.26 -0.70 121.20 124.35 2pkr s ILE 143 Ca 0.03 0.25 0.06 0.00 0.00 0.00 0.00 60.65 60.99 2pkr s ILE 143 Cb 0.08 -0.26 -0.05 0.00 0.01 0.00 0.00 42.46 42.24 2pkr s ILE 143 CO 0.75 0.18 -0.08 0.27 0.00 0.00 0.00 174.94 176.05 2pkr s ILE 144 N 1.71 1.38 -0.03 2.92 -4.36 -0.11 -4.08 121.20 118.63 2pkr s ILE 144 Ca -0.00 -2.11 0.05 0.00 -0.26 0.00 0.00 60.65 58.33 2pkr s ILE 144 Cb -0.13 -2.12 -0.01 0.00 1.25 0.00 0.00 42.46 41.45 2pkr s ILE 144 CO -0.03 -0.53 -0.19 -0.55 0.24 0.00 0.00 174.94 173.88 2pkr s SER 145 N -3.29 2.33 -0.17 4.36 0.15 0.35 -0.58 113.70 116.84 2pkr s SER 145 Ca 0.23 -0.37 0.09 0.00 0.70 0.00 0.00 55.95 56.60 2pkr s SER 145 Cb 0.02 -0.51 0.54 0.00 -1.71 0.00 0.00 66.02 64.37 2pkr s SER 145 CO 0.06 0.20 1.35 -3.20 1.20 0.00 0.00 173.24 172.85 2pkr n ASN 146 N 2.92 4.10 -0.98 5.45 5.15 -0.63 -0.84 115.26 130.44 2pkr n ASN 146 Ca -0.17 -2.65 0.04 0.00 -0.60 0.00 0.00 54.58 51.20 2pkr n ASN 146 Cb 0.53 -0.63 -0.01 0.00 -0.53 0.00 0.00 39.78 39.14 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 0.34 -0.76 -1.97 5.20 0.00 -1.24 -4.79 120.51 117.28 2pkr n ALA 147 Ca 0.20 0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.51 2pkr n ALA 147 Cb 0.91 -0.26 0.04 0.00 0.00 0.00 0.00 19.45 20.14 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 -4.55 5.22 0.17 0.00 1.04 -1.26 -3.55 113.70 110.78 2pkr s SER 148 Ca 0.00 -0.00 -0.12 0.00 0.48 0.00 0.00 55.95 56.31 2pkr s SER 148 Cb 0.00 -0.86 0.07 0.00 0.10 0.00 0.00 66.02 65.33 2pkr s SER 148 CO 0.00 -1.19 1.71 0.00 0.98 0.00 0.00 173.24 174.74 2pkr h THR 150 N 0.82 1.21 -0.21 0.00 2.02 -1.95 -2.03 112.91 112.77 2pkr h THR 150 Ca 0.19 -0.87 -0.12 0.00 0.77 0.00 0.00 66.41 66.39 2pkr h THR 150 Cb 0.24 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2pkr h THR 150 CO -0.01 0.30 -0.37 0.74 0.37 0.00 0.00 175.52 176.55 2pkr h THR 151 N 0.55 1.29 0.00 3.16 2.02 -1.80 -1.29 112.91 116.85 2pkr h THR 151 Ca 0.11 -1.48 -0.05 0.00 0.77 0.00 0.00 66.41 65.76 2pkr h THR 151 Cb 0.38 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 2pkr h THR 151 CO 0.01 0.46 -0.24 0.78 0.37 0.00 0.00 175.52 176.91 2pkr h ASN 152 N 0.39 0.00 0.24 4.18 4.21 -0.69 -1.15 115.58 122.77 2pkr h ASN 152 Ca 0.04 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.21 2pkr h ASN 152 Cb 0.82 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 38.04 2pkr h ASN 152 CO 0.07 0.24 -1.64 0.00 -1.29 0.00 0.00 177.43 174.81 2pkr h LEU 154 N 0.12 -0.09 -0.84 0.00 5.85 -1.10 -3.39 115.31 115.86 2pkr h LEU 154 Ca -0.30 -0.39 0.15 0.00 0.84 0.00 0.00 57.88 58.18 2pkr h LEU 154 Cb 2.12 0.02 -0.15 0.00 0.37 0.00 0.00 40.66 43.03 2pkr h LEU 154 CO 0.22 0.55 -0.31 0.00 -0.34 0.00 0.00 178.44 178.56 2pkr h ALA 155 N -0.50 0.27 -0.51 1.25 0.00 -1.44 -0.64 119.26 117.69 2pkr h ALA 155 Ca -0.01 0.27 0.09 0.00 0.00 0.00 0.00 54.91 55.26 2pkr h ALA 155 Cb 0.48 0.81 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 2pkr h ALA 155 CO 0.02 -0.55 0.06 -1.35 0.00 0.00 0.00 179.25 177.43 2pkr h PRO 156 N -0.04 0.18 0.00 0.00 0.11 -1.76 0.40 132.00 130.88 2pkr h PRO 156 Ca 0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.44 2pkr h PRO 156 Cb 0.60 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2pkr h PRO 156 CO -0.87 0.12 -0.52 0.27 -0.21 0.00 0.00 178.00 176.78 2pkr h PHE 157 N 0.18 0.00 -0.19 0.65 -5.15 -1.58 -3.09 116.94 107.77 2pkr h PHE 157 Ca 0.26 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 57.86 2pkr h PHE 157 Cb 0.37 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.54 2pkr h PHE 157 CO -0.27 0.00 -0.58 0.28 -2.00 0.00 0.00 178.31 175.75 2pkr h VAL 158 N 0.00 1.32 -0.66 0.88 2.07 -0.67 -1.64 116.25 117.54 2pkr h VAL 158 Ca 0.00 -1.83 -0.04 0.00 0.82 0.00 0.00 66.70 65.65 2pkr h VAL 158 Cb 0.82 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 2pkr h VAL 158 CO 0.00 0.57 0.25 0.50 0.02 0.00 0.00 177.57 178.91 2pkr h LYS 159 N 0.45 0.98 -0.30 1.57 3.64 -0.90 0.33 116.57 122.34 2pkr h LYS 159 Ca 0.00 -0.17 -0.17 0.00 -1.27 0.00 0.00 60.65 59.04 2pkr h LYS 159 Cb 1.13 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2pkr h LYS 159 CO 0.11 0.81 -0.49 0.28 -2.27 0.00 0.00 179.45 177.89 2pkr h VAL 160 N 0.96 1.28 -0.15 2.00 2.07 -1.43 -2.16 116.25 118.83 2pkr h VAL 160 Ca 0.22 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 2pkr h VAL 160 Cb 0.20 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2pkr h VAL 160 CO -0.02 0.55 0.05 -0.07 0.02 0.00 0.00 177.57 178.10 2pkr h LEU 161 N 0.65 0.21 -0.47 2.57 3.38 -0.71 -1.41 115.31 119.54 2pkr h LEU 161 Ca 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2pkr h LEU 161 Cb 1.07 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 2pkr h LEU 161 CO 0.11 0.35 0.24 -0.78 0.09 0.00 0.00 178.44 178.45 2pkr h ASP 162 N 0.06 0.60 -0.04 -0.43 3.58 -0.98 0.40 116.42 119.61 2pkr h ASP 162 Ca 0.05 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 2pkr h ASP 162 Cb 0.21 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 2pkr h ASP 162 CO -0.00 0.53 0.01 -0.61 -2.88 0.00 0.00 179.24 176.29 2pkr h GLN 163 N 0.62 0.07 0.00 0.28 5.75 -1.30 -0.49 115.11 120.04 2pkr h GLN 163 Ca 0.16 -0.02 -0.18 0.00 -0.15 0.00 0.00 58.65 58.46 2pkr h GLN 163 Cb 0.08 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 2pkr h GLN 163 CO -0.02 0.31 -0.83 0.87 -2.65 0.00 0.00 178.83 176.51 2pkr h LYS 164 N -0.18 0.09 0.00 1.69 6.56 -1.18 -3.40 116.57 120.14 2pkr h LYS 164 Ca 0.01 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.51 2pkr h LYS 164 Cb 0.27 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.96 2pkr h LYS 164 CO 0.00 0.87 -0.62 1.19 -2.06 0.00 0.00 179.45 178.82 2pkr n PHE 165 N -3.62 0.00 -1.11 -1.35 3.72 0.14 -4.96 117.46 110.28 2pkr n PHE 165 Ca -0.02 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2pkr n PHE 165 Cb 0.78 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.32 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 1.61 -3.03 3.63 1.37 0.00 -0.19 -2.01 105.19 106.57 2pkr n GLY 166 Ca 0.00 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.04 4.93 -0.03 -0.61 1.01 -1.26 -0.62 121.20 124.58 2pkr s ILE 167 Ca -0.00 1.26 -0.19 0.00 0.00 0.00 0.00 60.65 61.72 2pkr s ILE 167 Cb 0.00 -4.00 -0.32 0.00 0.01 0.00 0.00 42.46 38.15 2pkr s ILE 167 CO 0.00 -0.01 0.87 0.40 0.00 0.00 0.00 174.94 176.20 2pkr h ILE 168 N 5.42 1.34 -1.43 2.92 2.04 -1.11 -3.48 117.51 123.22 2pkr h ILE 168 Ca -0.26 -2.57 0.29 0.00 1.00 0.00 0.00 64.86 63.32 2pkr h ILE 168 Cb 1.11 3.07 -0.16 0.00 -0.74 0.00 0.00 36.82 40.10 2pkr h ILE 168 CO 0.81 0.75 0.83 -1.59 0.00 0.00 0.00 178.15 178.95 2pkr s LYS 169 N -2.50 0.32 0.08 2.37 -2.85 -1.20 -4.83 119.74 111.14 2pkr s LYS 169 Ca -0.13 -0.14 -0.27 0.00 -1.00 0.00 0.00 55.97 54.42 2pkr s LYS 169 Cb 0.03 0.13 0.09 0.00 -2.06 0.00 0.00 37.83 36.01 2pkr s LYS 169 CO 0.86 -0.14 1.09 0.20 0.10 0.00 0.00 175.35 177.46 2pkr s GLY 170 N -2.47 -0.31 0.13 0.59 0.00 -0.22 -0.78 107.32 104.26 2pkr s GLY 170 Ca 0.11 0.37 0.04 0.00 0.00 0.00 0.00 44.72 45.24 2pkr s GLY 170 CO -0.04 0.06 -0.10 -1.08 0.00 0.00 0.00 173.10 171.93 2pkr s THR 171 N -2.94 1.12 0.02 0.90 -1.32 0.29 -3.17 115.64 110.54 2pkr s THR 171 Ca 0.13 -1.95 -0.07 0.00 -1.21 0.00 0.00 61.69 58.59 2pkr s THR 171 Cb 0.01 -1.72 -0.00 0.00 -1.51 0.00 0.00 72.50 69.27 2pkr s THR 171 CO -0.00 -0.69 0.13 0.00 -2.21 0.00 0.00 174.62 171.85 2pkr s MET 172 N -3.48 0.57 -0.02 7.08 0.23 -0.47 -1.47 119.30 121.73 2pkr s MET 172 Ca 0.14 -0.59 -0.00 0.00 -1.03 0.00 0.00 55.69 54.21 2pkr s MET 172 Cb 0.01 0.23 0.03 0.00 -1.53 0.00 0.00 34.83 33.57 2pkr s MET 172 CO 0.00 -0.14 0.04 0.99 -2.03 0.00 0.00 175.02 173.88 2pkr s THR 173 N -2.11 -0.06 -0.18 3.16 2.01 -0.36 -1.66 115.64 116.44 2pkr s THR 173 Ca -0.09 0.21 -0.01 0.00 0.31 0.00 0.00 61.69 62.11 2pkr s THR 173 Cb -0.04 -0.09 -0.00 0.00 0.01 0.00 0.00 72.50 72.38 2pkr s THR 173 CO -0.02 0.08 -0.12 0.28 -0.69 0.00 0.00 174.62 174.15 2pkr s THR 174 N 1.03 2.84 -0.76 -0.82 -1.32 -0.78 -0.21 115.64 115.62 2pkr s THR 174 Ca -0.09 -0.69 -0.21 0.00 -1.21 0.00 0.00 61.69 59.49 2pkr s THR 174 Cb -0.12 -2.23 0.10 0.00 -1.51 0.00 0.00 72.50 68.73 2pkr s THR 174 CO -0.03 0.49 1.00 -0.89 -2.21 0.00 0.00 174.62 172.98 2pkr s THR 175 N 1.08 4.52 -0.13 5.08 2.01 -0.27 -0.33 115.64 127.60 2pkr s THR 175 Ca 0.00 -0.88 -0.07 0.00 0.31 0.00 0.00 61.69 61.05 2pkr s THR 175 Cb -0.15 -4.71 -0.04 0.00 0.01 0.00 0.00 72.50 67.62 2pkr s THR 175 CO -0.03 -1.45 0.13 -2.28 -0.69 0.00 0.00 174.62 170.30 2pkr s HIS 176 N 3.43 3.54 0.59 4.92 5.04 -0.02 -1.93 115.29 130.85 2pkr s HIS 176 Ca 0.25 0.47 -0.19 0.00 -1.54 0.00 0.00 55.06 54.05 2pkr s HIS 176 Cb -0.13 -1.96 -0.04 0.00 0.04 0.00 0.00 32.58 30.49 2pkr s HIS 176 CO 0.02 0.65 1.23 -1.12 -2.34 0.00 0.00 174.74 173.18 2pkr s SER 177 N -0.81 5.21 0.78 9.88 0.01 -1.24 -0.80 113.70 126.73 2pkr s SER 177 Ca 0.14 2.44 -0.12 0.00 1.31 0.00 0.00 55.95 59.72 2pkr s SER 177 Cb -0.12 -2.60 0.07 0.00 0.21 0.00 0.00 66.02 63.58 2pkr s SER 177 CO 0.03 -1.59 1.13 -0.72 0.41 0.00 0.00 173.24 172.50 2pkr s TYR 178 N -1.55 2.25 0.15 2.43 -0.85 -0.54 -4.78 117.35 114.45 2pkr s TYR 178 Ca 0.77 1.63 0.03 0.00 -0.52 0.00 0.00 57.07 58.97 2pkr s TYR 178 Cb -0.32 -3.21 -0.04 0.00 0.38 0.00 0.00 41.96 38.77 2pkr s TYR 178 CO 0.35 -2.17 -0.05 0.95 -1.52 0.00 0.00 175.55 173.11 2pkr s THR 179 N -2.60 0.84 0.02 -3.49 -4.23 -1.26 -4.72 115.64 100.20 2pkr s THR 179 Ca 0.66 -1.99 0.10 0.00 -1.18 0.00 0.00 61.69 59.27 2pkr s THR 179 Cb -0.21 -1.94 0.10 0.00 1.34 0.00 0.00 72.50 71.79 2pkr s THR 179 CO 0.52 -0.65 1.17 0.61 -0.54 0.00 0.00 174.62 175.73 2pkr n GLY 180 N -0.18 -0.53 0.23 3.99 0.00 -1.26 -0.19 105.19 107.24 2pkr n GLY 180 Ca -0.09 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2pkr n GLY 180 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2pkr h ASP 181 N 0.00 0.00 -3.71 1.61 3.58 -1.99 -3.45 116.42 112.47 2pkr h ASP 181 Ca 0.00 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.98 2pkr h ASP 181 Cb 0.73 0.00 0.06 0.00 1.72 0.00 0.00 39.33 41.84 2pkr h ASP 181 CO 0.00 0.00 0.20 -1.10 -2.88 0.00 0.00 179.24 175.46 2pkr s GLN 182 N -3.38 2.81 -0.00 0.28 -0.21 0.73 -4.96 119.66 114.93 2pkr s GLN 182 Ca 0.05 -0.02 -0.07 0.00 0.02 0.00 0.00 55.36 55.34 2pkr s GLN 182 Cb 0.07 -2.24 -0.05 0.00 1.00 0.00 0.00 33.01 31.79 2pkr s GLN 182 CO 0.59 -0.80 0.27 1.03 -2.12 0.00 0.00 175.29 174.27 2pkr s ARG 183 N -5.05 3.59 0.07 2.91 1.81 -1.05 -4.97 118.95 116.26 2pkr s ARG 183 Ca 0.55 -0.04 -0.21 0.00 -1.72 0.00 0.00 55.73 54.31 2pkr s ARG 183 Cb -0.11 -3.09 -0.12 0.00 -0.45 0.00 0.00 34.95 31.18 2pkr s ARG 183 CO 0.45 0.66 1.53 1.25 -0.68 0.00 0.00 175.30 178.52 2pkr h LEU 184 N 4.10 0.23 -8.49 2.53 5.85 -1.92 -1.58 115.31 116.03 2pkr h LEU 184 Ca -0.50 -0.26 -0.45 0.00 0.84 0.00 0.00 57.88 57.51 2pkr h LEU 184 Cb 1.20 -0.06 -0.21 0.00 0.37 0.00 0.00 40.66 41.95 2pkr h LEU 184 CO 0.65 0.43 -0.79 -0.76 -0.34 0.00 0.00 178.44 177.63 2pkr s LEU 185 N -9.64 2.29 -0.45 2.25 1.43 -1.26 -3.85 118.68 109.44 2pkr s LEU 185 Ca -0.14 -0.64 -0.42 0.00 -1.03 0.00 0.00 54.13 51.90 2pkr s LEU 185 Cb 0.06 -0.62 -0.18 0.00 0.03 0.00 0.00 46.19 45.48 2pkr s LEU 185 CO 0.71 -0.04 1.47 0.47 0.23 0.00 0.00 176.35 179.19 2pkr n ASP 186 N 1.21 1.08 -3.72 2.29 9.92 -1.26 -4.53 116.55 121.54 2pkr n ASP 186 Ca -0.21 1.06 -0.08 0.00 -0.53 0.00 0.00 54.79 55.03 2pkr n ASP 186 Cb 0.54 -0.80 -0.02 0.00 -0.64 0.00 0.00 41.12 40.21 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 2.83 -0.98 0.30 2.24 0.00 -0.02 -4.95 121.76 121.19 2pkr s ALA 187 Ca 0.96 -0.47 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 2pkr s ALA 187 Cb -1.36 0.86 -0.13 0.00 0.00 0.00 0.00 23.12 22.49 2pkr s ALA 187 CO 0.73 -1.00 1.20 0.43 0.00 0.00 0.00 175.76 177.13 2pkr n SER 188 N -0.62 2.19 -3.64 0.00 7.64 -1.26 -4.53 113.62 113.41 2pkr n SER 188 Ca -0.04 1.19 -0.07 0.00 1.01 0.00 0.00 58.87 60.95 2pkr n SER 188 Cb 0.60 -1.40 -0.07 0.00 -1.01 0.00 0.00 64.21 62.33 2pkr n SER 188 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2pkr s HIS 190 N -0.88 -0.30 0.34 1.43 5.04 -1.26 -4.89 115.29 114.77 2pkr s HIS 190 Ca 0.59 0.70 0.03 0.00 -1.54 0.00 0.00 55.06 54.84 2pkr s HIS 190 Cb -0.64 0.42 0.62 0.00 0.04 0.00 0.00 32.58 33.02 2pkr s HIS 190 CO 0.59 -0.16 1.95 0.07 -2.34 0.00 0.00 174.74 174.85 2pkr h ARG 191 N 3.57 0.71 -5.37 2.88 0.11 -1.98 -3.35 114.38 110.95 2pkr h ARG 191 Ca -0.26 -0.08 -0.64 0.00 0.10 0.00 0.00 59.98 59.10 2pkr h ARG 191 Cb 1.18 -0.14 -0.15 0.00 1.11 0.00 0.00 29.97 31.97 2pkr h ARG 191 CO 0.16 0.56 0.46 0.34 0.10 0.00 0.00 179.97 181.58 2pkr s ASP 192 N -6.59 6.20 0.44 0.08 -1.08 -1.26 -4.92 116.67 109.54 2pkr s ASP 192 Ca -0.09 -0.96 0.19 0.00 -0.52 0.00 0.00 52.55 51.17 2pkr s ASP 192 Cb 0.17 -2.40 1.03 0.00 -1.46 0.00 0.00 42.92 40.26 2pkr s ASP 192 CO 0.77 -1.34 1.52 -0.07 0.52 0.00 0.00 175.17 176.57 2pkr h LEU 193 N 11.03 0.00 0.11 -1.34 3.38 -1.99 0.62 115.31 127.12 2pkr h LEU 193 Ca -0.28 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.33 2pkr h LEU 193 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2pkr h LEU 193 CO 1.15 0.00 -1.99 0.54 0.09 0.00 0.00 178.44 178.23 2pkr n ARG 194 N -2.35 0.74 0.01 1.13 1.74 -1.26 -3.86 116.66 112.81 2pkr n ARG 194 Ca -0.01 0.26 0.07 0.00 -0.77 0.00 0.00 57.85 57.40 2pkr n ARG 194 Cb 0.33 -1.71 0.30 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 -3.42 0.01 0.10 5.56 1.74 0.14 -1.66 116.66 119.13 2pkr n ARG 195 Ca -0.31 0.28 0.13 0.00 -0.77 0.00 0.00 57.85 57.18 2pkr n ARG 195 Cb 1.05 -1.53 0.45 0.00 -1.02 0.00 0.00 32.46 31.41 2pkr n ARG 195 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pkr n ALA 196 N -1.52 2.08 -2.30 7.54 0.00 -0.78 -2.53 120.51 123.00 2pkr n ALA 196 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.10 2pkr n ALA 196 Cb 0.16 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.12 2pkr n ALA 196 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2pkr s ARG 197 N -3.15 4.13 -0.41 0.00 1.81 -0.67 -0.84 118.95 119.83 2pkr s ARG 197 Ca 0.09 0.67 -0.36 0.00 -1.72 0.00 0.00 55.73 54.40 2pkr s ARG 197 Cb 0.12 -3.16 -0.16 0.00 -0.45 0.00 0.00 34.95 31.31 2pkr s ARG 197 CO 0.52 0.60 1.70 0.00 -0.68 0.00 0.00 175.30 177.44 2pkr n ALA 198 N 1.49 0.05 0.20 2.13 0.00 -1.26 -4.50 120.51 118.62 2pkr n ALA 198 Ca -0.09 0.18 0.04 0.00 0.00 0.00 0.00 53.44 53.57 2pkr n ALA 198 Cb 0.51 -1.68 0.41 0.00 0.00 0.00 0.00 19.45 18.68 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 7.00 1.40 -0.01 0.00 0.00 -1.39 -2.79 119.26 123.48 2pkr h ALA 199 Ca -0.11 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2pkr h ALA 199 Cb 1.15 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2pkr h ALA 199 CO 0.88 0.41 -0.25 0.00 0.00 0.00 0.00 179.25 180.29 2pkr n LEU 201 N -0.86 0.70 -4.24 0.00 4.77 -1.07 -4.72 117.00 111.58 2pkr n LEU 201 Ca 0.12 -0.48 -0.14 0.00 -0.03 0.00 0.00 56.01 55.48 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 0.27 0.17 -0.40 0.20 -1.33 0.00 0.00 177.39 176.30 2pkr s ASN 202 N -2.48 1.63 -0.38 -1.43 -0.87 -1.10 -5.07 114.94 105.24 2pkr s ASN 202 Ca 0.05 -1.03 -0.17 0.00 -1.57 0.00 0.00 52.86 50.14 2pkr s ASN 202 Cb 0.11 0.02 0.00 0.00 -0.02 0.00 0.00 41.25 41.37 2pkr s ASN 202 CO 0.63 -0.38 0.43 -0.63 -2.57 0.00 0.00 177.10 174.58 2pkr s ILE 203 N -3.41 5.09 -0.38 0.60 1.01 -1.26 -4.18 121.20 118.67 2pkr s ILE 203 Ca 0.17 -0.06 -0.07 0.00 0.00 0.00 0.00 60.65 60.69 2pkr s ILE 203 Cb 0.03 -3.95 0.07 0.00 0.01 0.00 0.00 42.46 38.62 2pkr s ILE 203 CO 0.00 -0.27 0.18 -0.69 0.00 0.00 0.00 174.94 174.16 2pkr s VAL 204 N 2.17 3.85 0.34 2.92 1.01 0.20 -4.90 120.40 126.00 2pkr s VAL 204 Ca 0.14 -1.40 -0.28 0.00 0.00 0.00 0.00 61.98 60.44 2pkr s VAL 204 Cb -0.16 -3.33 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 2pkr s VAL 204 CO 0.13 -0.40 1.18 -2.84 0.00 0.00 0.00 175.10 173.18 2pkr s PRO 205 N 1.36 4.36 0.09 2.72 0.02 -1.26 -0.39 135.00 141.90 2pkr s PRO 205 Ca 0.02 1.93 -0.19 0.00 0.02 0.00 0.00 61.00 62.77 2pkr s PRO 205 Cb -0.22 -2.97 0.05 0.00 0.02 0.00 0.00 34.50 31.38 2pkr s PRO 205 CO 0.01 -0.08 0.47 -0.08 -0.33 0.00 0.00 177.00 176.99 2pkr s THR 206 N -1.25 0.04 0.79 0.99 -1.32 0.48 -4.73 115.64 110.65 2pkr s THR 206 Ca 0.50 -0.36 -0.11 0.00 -1.21 0.00 0.00 61.69 60.51 2pkr s THR 206 Cb -0.34 -1.05 0.07 0.00 -1.51 0.00 0.00 72.50 69.67 2pkr s THR 206 CO 0.43 -0.20 1.09 -0.94 -2.21 0.00 0.00 174.62 172.79 2pkr s SER 207 N -2.41 4.41 -0.12 8.08 1.04 -1.26 -1.05 113.70 122.39 2pkr s SER 207 Ca -0.01 1.71 -0.09 0.00 0.48 0.00 0.00 55.95 58.03 2pkr s SER 207 Cb 0.00 -2.43 0.03 0.00 0.10 0.00 0.00 66.02 63.73 2pkr s SER 207 CO -0.07 -2.08 0.30 0.28 0.98 0.00 0.00 173.24 172.64 2pkr s THR 208 N -2.94 -0.01 -1.98 2.02 -1.32 -1.26 -4.59 115.64 105.57 2pkr s THR 208 Ca 0.61 0.03 0.23 0.00 -1.21 0.00 0.00 61.69 61.35 2pkr s THR 208 Cb -0.17 -0.43 0.03 0.00 -1.51 0.00 0.00 72.50 70.43 2pkr s THR 208 CO 0.56 0.01 1.16 0.61 -2.21 0.00 0.00 174.62 174.76 2pkr n GLY 209 N 3.23 -0.08 0.56 6.08 0.00 -1.26 -4.40 105.19 109.32 2pkr n GLY 209 Ca -0.16 -0.61 0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 3.84 3.16 -0.18 4.61 0.00 -1.95 0.48 119.26 129.22 2pkr h ALA 210 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2pkr h ALA 210 Cb 0.71 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2pkr h ALA 210 CO 0.00 -1.65 -0.30 0.00 0.00 0.00 0.00 179.25 177.30 2pkr h ALA 211 N 1.36 0.28 -0.00 0.00 0.00 -1.89 -1.61 119.26 117.39 2pkr h ALA 211 Ca 0.75 -0.41 -0.18 0.00 0.00 0.00 0.00 54.91 55.07 2pkr h ALA 211 Cb 2.73 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 20.45 2pkr h ALA 211 CO -0.14 0.29 -0.81 0.87 0.00 0.00 0.00 179.25 179.46 2pkr h LYS 212 N 0.16 0.10 -0.38 0.00 1.57 -1.11 -3.17 116.57 113.74 2pkr h LYS 212 Ca 0.01 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 2pkr h LYS 212 Cb 0.88 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 2pkr h LYS 212 CO 0.07 0.85 -0.01 0.00 -0.57 0.00 0.00 179.45 179.78 2pkr h ALA 213 N 1.12 1.27 -0.88 3.86 0.00 -0.07 -1.75 119.26 122.81 2pkr h ALA 213 Ca -0.02 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.70 2pkr h ALA 213 Cb 1.41 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 2pkr h ALA 213 CO 0.11 0.49 0.57 0.28 0.00 0.00 0.00 179.25 180.71 2pkr h VAL 214 N 0.57 1.13 0.00 0.00 2.07 -1.26 0.02 116.25 118.78 2pkr h VAL 214 Ca 0.12 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 2pkr h VAL 214 Cb 0.38 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2pkr h VAL 214 CO 0.01 0.20 -0.07 0.00 0.02 0.00 0.00 177.57 177.73 2pkr h ALA 215 N 1.50 1.08 -0.35 1.67 0.00 -1.38 0.95 119.26 122.72 2pkr h ALA 215 Ca 0.35 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 55.03 2pkr h ALA 215 Cb 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2pkr h ALA 215 CO -0.11 0.09 -0.44 -0.07 0.00 0.00 0.00 179.25 178.73 2pkr h LEU 216 N 0.00 0.99 0.00 0.00 3.38 -0.87 -2.53 115.31 116.29 2pkr h LEU 216 Ca -0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2pkr h LEU 216 Cb 0.42 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2pkr h LEU 216 CO 0.01 1.28 -0.90 1.33 0.09 0.00 0.00 178.44 180.25 2pkr n VAL 217 N -4.05 0.11 -3.45 1.22 0.24 -1.07 -4.50 118.33 106.83 2pkr n VAL 217 Ca -0.03 -0.16 -0.27 0.00 -2.04 0.00 0.00 64.34 61.85 2pkr n VAL 217 Cb 0.57 0.32 -0.10 0.00 -1.47 0.00 0.00 33.84 33.16 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 -1.80 0.41 -0.41 1.34 4.77 0.31 -4.57 117.00 117.05 2pkr n LEU 218 Ca 0.03 -4.62 0.38 0.00 -0.03 0.00 0.00 56.01 51.78 2pkr n LEU 218 Cb 0.40 0.28 0.75 0.00 -2.33 0.00 0.00 43.42 42.52 2pkr n LEU 218 CO 0.39 1.88 1.35 -0.65 -1.33 0.00 0.00 177.39 179.04 2pkr h PRO 219 N 5.26 0.03 0.00 3.23 0.11 -1.68 0.02 132.00 138.98 2pkr h PRO 219 Ca 0.21 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2pkr h PRO 219 Cb 0.87 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2pkr h PRO 219 CO 0.47 0.02 0.00 -0.97 -0.21 0.00 0.00 178.00 177.30 2pkr h ASN 220 N 0.03 0.00 -0.25 -2.05 -1.24 -1.94 -2.19 115.58 107.93 2pkr h ASN 220 Ca 0.65 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.66 2pkr h ASN 220 Cb 2.54 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.59 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 -2.49 2.93 -4.61 0.34 7.99 -0.01 -4.94 117.00 116.21 2pkr n LEU 221 Ca -0.00 -1.18 -0.47 0.00 -0.01 0.00 0.00 56.01 54.34 2pkr n LEU 221 Cb 0.13 -0.15 -0.03 0.00 -0.11 0.00 0.00 43.42 43.26 2pkr n LEU 221 CO 0.17 0.59 0.81 1.17 -1.51 0.00 0.00 177.39 178.62 2pkr n LYS 222 N 1.18 1.50 -1.16 3.23 4.81 -0.83 -1.02 118.16 125.86 2pkr n LYS 222 Ca 0.18 0.53 -0.06 0.00 -0.87 0.00 0.00 58.31 58.09 2pkr n LYS 222 Cb 0.54 -2.08 -0.03 0.00 0.02 0.00 0.00 35.03 33.49 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 1.98 0.58 0.01 3.14 0.00 -1.26 -4.82 105.19 104.82 2pkr n GLY 223 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.25 2pkr n GLY 223 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pkr n LYS 224 N -0.01 0.50 -4.28 1.61 5.02 -0.19 -5.02 118.16 115.80 2pkr n LYS 224 Ca -0.06 -0.12 -0.17 0.00 -2.02 0.00 0.00 58.31 55.93 2pkr n LYS 224 Cb 0.54 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.96 2pkr n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2pkr s LEU 225 N -3.91 2.48 0.31 -0.35 1.43 -1.26 -1.06 118.68 116.33 2pkr s LEU 225 Ca -0.02 -0.92 -0.15 0.00 -1.03 0.00 0.00 54.13 52.01 2pkr s LEU 225 Cb 0.14 -0.54 0.02 0.00 0.03 0.00 0.00 46.19 45.84 2pkr s LEU 225 CO 0.86 -0.19 0.64 0.21 0.23 0.00 0.00 176.35 178.10 2pkr s ASN 226 N -2.88 0.03 0.00 2.29 2.47 -1.19 -4.51 114.94 111.15 2pkr s ASN 226 Ca 0.15 -0.97 0.00 0.00 0.42 0.00 0.00 52.86 52.46 2pkr s ASN 226 Cb -0.02 0.72 0.00 0.00 -1.45 0.00 0.00 41.25 40.50 2pkr s ASN 226 CO 0.04 -1.39 0.00 0.61 -3.72 0.00 0.00 177.10 172.64 2pkr n GLY 227 N -0.48 -0.82 3.32 1.21 0.00 -1.26 -1.37 105.19 105.80 2pkr n GLY 227 Ca -0.04 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.00 0.00 0.10 -0.61 -4.36 -0.66 -4.43 121.20 109.24 2pkr s ILE 228 Ca 0.00 -1.86 0.08 0.00 -0.26 0.00 0.00 60.65 58.62 2pkr s ILE 228 Cb 0.00 -2.48 -0.03 0.00 1.25 0.00 0.00 42.46 41.19 2pkr s ILE 228 CO 0.00 0.00 -0.21 0.00 0.24 0.00 0.00 174.94 174.97 2pkr s ALA 229 N -3.77 1.78 -0.27 2.27 0.00 -0.21 -1.87 121.76 119.70 2pkr s ALA 229 Ca 0.36 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 51.10 2pkr s ALA 229 Cb 0.04 -0.24 0.07 0.00 0.00 0.00 0.00 23.12 22.99 2pkr s ALA 229 CO 0.17 0.36 -0.01 -0.51 0.00 0.00 0.00 175.76 175.77 2pkr s LEU 230 N -1.88 2.87 -0.01 0.00 1.43 0.56 -0.39 118.68 121.27 2pkr s LEU 230 Ca 0.06 -1.42 -0.29 0.00 -1.03 0.00 0.00 54.13 51.45 2pkr s LEU 230 Cb -0.10 -1.19 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 2pkr s LEU 230 CO 0.04 -0.29 0.94 -0.13 0.23 0.00 0.00 176.35 177.14 2pkr s ARG 231 N 1.36 4.54 0.30 1.70 1.81 0.47 -0.84 118.95 128.29 2pkr s ARG 231 Ca -0.00 1.35 0.08 0.00 -1.72 0.00 0.00 55.73 55.44 2pkr s ARG 231 Cb -0.19 -3.46 -0.06 0.00 -0.45 0.00 0.00 34.95 30.80 2pkr s ARG 231 CO -0.10 -0.03 -0.09 0.14 -0.68 0.00 0.00 175.30 174.53 2pkr s VAL 232 N 0.98 1.95 0.00 3.52 -7.23 0.02 0.59 120.40 120.23 2pkr s VAL 232 Ca 0.50 -2.19 -0.01 0.00 -1.81 0.00 0.00 61.98 58.46 2pkr s VAL 232 Cb -0.21 -2.47 -0.06 0.00 0.56 0.00 0.00 36.38 34.20 2pkr s VAL 232 CO 0.27 -0.30 1.31 -2.65 -0.31 0.00 0.00 175.10 173.42 2pkr n PRO 233 N -0.64 0.60 -5.05 4.82 -0.02 -1.26 -2.89 135.00 130.56 2pkr n PRO 233 Ca -0.05 -0.23 -0.31 0.00 -2.02 0.00 0.00 63.50 60.89 2pkr n PRO 233 Cb 0.63 -1.54 -0.15 0.00 -0.02 0.00 0.00 33.50 32.42 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 1.86 2.39 -0.30 3.45 -4.23 -1.26 -5.00 115.64 112.56 2pkr s THR 234 Ca 0.15 -1.09 0.27 0.00 -1.18 0.00 0.00 61.69 59.85 2pkr s THR 234 Cb 0.07 -1.90 0.34 0.00 1.34 0.00 0.00 72.50 72.35 2pkr s THR 234 CO 0.00 0.51 1.78 1.55 -0.54 0.00 0.00 174.62 177.92 2pkr h PRO 235 N 5.19 0.00 -1.56 3.99 0.13 -1.87 -1.45 132.00 136.44 2pkr h PRO 235 Ca -0.45 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.76 2pkr h PRO 235 Cb 1.14 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.04 2pkr h PRO 235 CO 0.47 0.00 0.55 1.21 -0.23 0.00 0.00 178.00 180.00 2pkr s ASN 236 N -5.53 -0.37 0.00 1.44 2.47 -1.26 -4.67 114.94 107.02 2pkr s ASN 236 Ca 0.05 0.41 0.00 0.00 0.42 0.00 0.00 52.86 53.74 2pkr s ASN 236 Cb 0.08 0.31 0.00 0.00 -1.45 0.00 0.00 41.25 40.19 2pkr s ASN 236 CO 0.58 -0.33 0.00 0.52 -3.72 0.00 0.00 177.10 174.15 2pkr n VAL 237 N 0.76 -0.37 -4.32 -5.21 0.31 -1.26 -4.88 118.33 103.36 2pkr n VAL 237 Ca -0.10 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.03 2pkr n VAL 237 Cb 0.58 -0.32 -0.08 0.00 -0.91 0.00 0.00 33.84 33.10 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 -0.43 1.73 -0.14 4.52 0.01 0.12 -3.68 113.70 115.83 2pkr s SER 238 Ca 0.00 -1.71 -0.12 0.00 1.31 0.00 0.00 55.95 55.43 2pkr s SER 238 Cb 0.00 0.53 0.04 0.00 0.21 0.00 0.00 66.02 66.80 2pkr s SER 238 CO 0.00 -1.01 0.38 0.54 0.41 0.00 0.00 173.24 173.55 2pkr s VAL 239 N -3.48 -0.01 0.02 3.43 0.11 -0.81 -1.16 120.40 118.51 2pkr s VAL 239 Ca 0.37 0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.45 2pkr s VAL 239 Cb 0.03 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 2pkr s VAL 239 CO 0.24 0.01 0.08 0.68 -3.33 0.00 0.00 175.10 172.78 2pkr s VAL 240 N 0.45 4.68 -0.26 2.04 -7.23 0.21 -1.11 120.40 119.18 2pkr s VAL 240 Ca -0.02 -0.52 0.03 0.00 -1.81 0.00 0.00 61.98 59.65 2pkr s VAL 240 Cb -0.04 -3.18 0.06 0.00 0.56 0.00 0.00 36.38 33.79 2pkr s VAL 240 CO -0.02 0.27 -0.08 -0.62 -0.31 0.00 0.00 175.10 174.34 2pkr s ASP 241 N -1.96 4.33 -0.11 4.85 2.15 0.71 -1.31 116.67 125.32 2pkr s ASP 241 Ca 0.25 -1.41 0.00 0.00 0.43 0.00 0.00 52.55 51.83 2pkr s ASP 241 Cb -0.12 -1.46 -0.02 0.00 -0.30 0.00 0.00 42.92 41.01 2pkr s ASP 241 CO 0.17 -0.22 -0.11 -0.22 -0.17 0.00 0.00 175.17 174.62 2pkr s LEU 242 N 1.16 2.84 -0.13 -1.34 2.96 -0.52 -1.22 118.68 122.42 2pkr s LEU 242 Ca -0.07 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 2pkr s LEU 242 Cb -0.20 -1.63 0.02 0.00 0.50 0.00 0.00 46.19 44.88 2pkr s LEU 242 CO -0.06 0.22 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.35 2pkr s VAL 243 N 0.03 1.57 0.03 1.68 1.01 -0.54 -0.01 120.40 124.16 2pkr s VAL 243 Ca -0.03 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.30 2pkr s VAL 243 Cb -0.14 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 2pkr s VAL 243 CO 0.04 0.46 -0.06 0.68 0.00 0.00 0.00 175.10 176.21 2pkr s VAL 244 N 1.22 0.45 -0.22 2.92 -7.23 -0.31 -0.55 120.40 116.69 2pkr s VAL 244 Ca -0.01 -0.78 -0.13 0.00 -1.81 0.00 0.00 61.98 59.26 2pkr s VAL 244 Cb -0.14 -0.48 -0.05 0.00 0.56 0.00 0.00 36.38 36.27 2pkr s VAL 244 CO -0.06 -0.23 0.26 -1.58 -0.31 0.00 0.00 175.10 173.18 2pkr s GLN 245 N -1.09 4.13 0.23 4.82 0.74 0.04 -0.60 119.66 127.94 2pkr s GLN 245 Ca -0.07 -0.06 0.07 0.00 0.05 0.00 0.00 55.36 55.36 2pkr s GLN 245 Cb -0.07 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.48 2pkr s GLN 245 CO 0.00 0.05 0.13 0.14 -0.55 0.00 0.00 175.29 175.06 2pkr s VAL 246 N 1.07 4.17 0.02 1.34 -7.23 -0.23 -0.48 120.40 119.06 2pkr s VAL 246 Ca 0.13 -1.46 0.10 0.00 -1.81 0.00 0.00 61.98 58.93 2pkr s VAL 246 Cb -0.14 -3.22 -0.12 0.00 0.56 0.00 0.00 36.38 33.47 2pkr s VAL 246 CO 0.05 -0.29 1.33 0.77 -0.31 0.00 0.00 175.10 176.66 2pkr h SER 247 N 1.84 0.00 -3.77 4.85 4.64 -0.59 -3.44 113.55 117.09 2pkr h SER 247 Ca -0.47 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.18 2pkr h SER 247 Cb 1.23 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.13 2pkr h SER 247 CO 0.61 0.83 -0.51 -0.75 -0.87 0.00 0.00 176.83 176.14 2pkr s LYS 248 N -2.80 3.65 0.27 4.77 2.20 -0.85 -5.06 119.74 121.93 2pkr s LYS 248 Ca 0.02 -0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 54.80 2pkr s LYS 248 Cb 0.09 -3.71 -0.13 0.00 -1.51 0.00 0.00 37.83 32.57 2pkr s LYS 248 CO 0.79 -0.34 1.35 1.63 -0.36 0.00 0.00 175.35 178.43 2pkr n LYS 249 N 5.07 2.03 -1.23 4.03 5.02 -1.26 -4.85 118.16 126.96 2pkr n LYS 249 Ca -0.13 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 2pkr n LYS 249 Cb 0.51 -2.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.18 2pkr n LYS 249 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2pkr n THR 250 N 1.35 0.00 -3.84 -0.18 5.66 0.46 -5.01 114.28 112.71 2pkr n THR 250 Ca 0.09 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.00 2pkr n THR 250 Cb 0.33 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.03 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 -5.33 0.09 0.22 1.09 -0.71 -1.26 -4.52 117.98 107.55 2pkr s PHE 251 Ca 0.00 -0.42 -0.15 0.00 -1.04 0.00 0.00 56.93 55.32 2pkr s PHE 251 Cb 0.00 -0.04 0.24 0.00 -1.21 0.00 0.00 43.02 42.02 2pkr s PHE 251 CO 0.00 -0.49 1.60 0.00 -1.34 0.00 0.00 175.22 174.98 2pkr h ALA 252 N 3.08 0.29 -0.45 1.99 0.00 -1.89 -1.51 119.26 120.78 2pkr h ALA 252 Ca -0.33 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2pkr h ALA 252 Cb 1.20 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 2pkr h ALA 252 CO 0.52 -0.51 0.15 0.93 0.00 0.00 0.00 179.25 180.34 2pkr h GLU 253 N -0.06 0.65 -0.46 0.00 3.07 -1.96 -1.02 114.58 114.81 2pkr h GLU 253 Ca 0.32 -0.10 -0.13 0.00 -0.50 0.00 0.00 59.36 58.95 2pkr h GLU 253 Cb 0.55 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 2pkr h GLU 253 CO -0.75 0.56 -0.22 1.49 -1.40 0.00 0.00 179.01 178.69 2pkr h GLU 254 N 0.64 0.94 -0.35 2.33 4.81 -1.73 -0.93 114.58 120.29 2pkr h GLU 254 Ca 0.15 -0.39 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 2pkr h GLU 254 Cb 0.18 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 2pkr h GLU 254 CO -0.01 1.05 0.17 0.28 -0.73 0.00 0.00 179.01 179.78 2pkr h VAL 255 N 0.81 1.16 -0.56 0.32 2.07 -0.70 -0.42 116.25 118.93 2pkr h VAL 255 Ca 0.11 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2pkr h VAL 255 Cb 0.78 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 2pkr h VAL 255 CO 0.06 0.17 0.32 0.78 0.02 0.00 0.00 177.57 178.92 2pkr h ASN 256 N 0.44 0.68 -0.76 0.57 -0.26 -1.10 -2.11 115.58 113.04 2pkr h ASN 256 Ca 0.12 -0.08 0.04 0.00 -0.56 0.00 0.00 56.30 55.82 2pkr h ASN 256 Cb 0.11 -0.17 -0.05 0.00 -1.06 0.00 0.00 38.32 37.15 2pkr h ASN 256 CO -0.02 0.56 0.48 0.00 -1.06 0.00 0.00 177.43 177.39 2pkr h ALA 257 N 1.15 1.01 -0.63 -0.83 0.00 -0.64 -0.59 119.26 118.73 2pkr h ALA 257 Ca 0.20 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2pkr h ALA 257 Cb 0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2pkr h ALA 257 CO -0.03 0.26 0.38 0.00 0.00 0.00 0.00 179.25 179.86 2pkr h ALA 258 N 1.33 0.82 -0.68 0.00 0.00 -0.66 -1.15 119.26 118.92 2pkr h ALA 258 Ca 0.31 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 2pkr h ALA 258 Cb 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2pkr h ALA 258 CO -0.12 0.10 0.22 0.74 0.00 0.00 0.00 179.25 180.19 2pkr h PHE 259 N 0.73 1.09 -0.55 0.00 0.04 -0.64 -2.75 116.94 114.85 2pkr h PHE 259 Ca 0.26 -0.11 -0.05 0.00 2.80 0.00 0.00 57.97 60.87 2pkr h PHE 259 Cb 0.07 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.87 2pkr h PHE 259 CO -0.06 0.87 0.13 0.00 -0.60 0.00 0.00 178.31 178.65 2pkr h ARG 260 N 0.99 0.84 0.37 1.51 3.08 -0.50 -0.95 114.38 119.73 2pkr h ARG 260 Ca 0.22 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2pkr h ARG 260 Cb 0.29 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2pkr h ARG 260 CO -0.01 0.76 -0.27 0.93 -1.07 0.00 0.00 179.97 180.32 2pkr h GLU 261 N 0.81 -0.61 -0.97 0.04 5.08 -0.95 -1.34 114.58 116.64 2pkr h GLU 261 Ca 0.18 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.61 2pkr h GLU 261 Cb 0.31 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 2pkr h GLU 261 CO -0.00 -0.40 0.64 0.77 -1.00 0.00 0.00 179.01 179.01 2pkr h SER 262 N -0.63 1.08 -0.16 1.42 0.02 -1.44 -1.92 113.55 111.92 2pkr h SER 262 Ca -0.03 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2pkr h SER 262 Cb 0.54 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2pkr h SER 262 CO 0.01 0.75 0.07 0.00 -1.14 0.00 0.00 176.83 176.52 2pkr h ALA 263 N 1.39 1.73 -0.01 3.77 0.00 -0.75 0.21 119.26 125.60 2pkr h ALA 263 Ca 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2pkr h ALA 263 Cb -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2pkr h ALA 263 CO -0.11 0.22 -0.37 -0.25 0.00 0.00 0.00 179.25 178.74 2pkr n ASP 264 N -4.43 0.91 0.00 0.00 8.00 -0.54 -3.21 116.55 117.28 2pkr n ASP 264 Ca 0.00 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.77 2pkr n ASP 264 Cb 0.13 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 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 -0.91 0.00 0.30 -2.24 3.02 -0.59 -4.82 115.26 110.02 2pkr n ASN 265 Ca 0.10 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.80 2pkr n ASN 265 Cb 0.35 0.00 0.93 0.00 -0.61 0.00 0.00 39.78 40.45 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 -0.31 3.52 9.09 -1.79 -2.42 114.58 122.67 2pkr h GLU 266 Ca 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.35 2pkr h GLU 266 Cb 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.06 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 -3.83 4.09 -4.73 3.06 4.77 0.65 -4.99 117.00 116.02 2pkr n LEU 267 Ca -0.03 -3.21 -0.42 0.00 -0.03 0.00 0.00 56.01 52.32 2pkr n LEU 267 Cb 0.08 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 40.57 2pkr n LEU 267 CO 0.27 0.82 1.27 1.17 -1.33 0.00 0.00 177.39 179.59 2pkr n LYS 268 N -0.65 2.67 -0.20 3.23 4.81 -0.92 -1.06 118.16 126.05 2pkr n LYS 268 Ca 0.26 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.65 2pkr n LYS 268 Cb 0.96 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 33.26 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 2.80 1.91 0.73 3.14 0.00 -1.26 -4.79 105.19 107.72 2pkr n GLY 269 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 0.49 -4.93 -0.61 2.08 -0.23 -4.30 119.36 109.86 2pkr n ILE 270 Ca 0.00 -0.12 -0.32 0.00 0.56 0.00 0.00 62.75 62.87 2pkr n ILE 270 Cb 0.00 -1.62 -0.13 0.00 -0.75 0.00 0.00 39.64 37.13 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 -6.48 2.61 0.14 1.39 2.96 -0.46 0.26 118.68 119.09 2pkr s LEU 271 Ca -0.12 -0.26 0.03 0.00 -0.22 0.00 0.00 54.13 53.55 2pkr s LEU 271 Cb 0.05 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 2pkr s LEU 271 CO 0.15 0.33 -0.06 -0.44 -1.32 0.00 0.00 176.35 175.02 2pkr s SER 272 N -0.79 1.38 -0.14 3.68 0.01 -0.02 -4.58 113.70 113.24 2pkr s SER 272 Ca 0.12 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.32 2pkr s SER 272 Cb -0.10 0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.21 2pkr s SER 272 CO 0.01 -0.45 -0.13 -0.69 0.41 0.00 0.00 173.24 172.38 2pkr s VAL 273 N -3.54 1.47 -0.19 3.43 1.01 -1.26 -0.99 120.40 120.33 2pkr s VAL 273 Ca 0.17 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 2pkr s VAL 273 Cb 0.05 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 2pkr s VAL 273 CO -0.01 0.44 0.02 0.00 0.00 0.00 0.00 175.10 175.56 2pkr n ASP 275 N 3.90 3.19 -4.84 0.00 8.00 -1.26 -2.04 116.55 123.50 2pkr n ASP 275 Ca -0.17 -1.94 -0.35 0.00 0.71 0.00 0.00 54.79 53.05 2pkr n ASP 275 Cb 0.52 -0.18 -0.06 0.00 -0.02 0.00 0.00 41.12 41.38 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 -1.47 3.98 -1.30 -1.24 0.41 -1.26 -4.86 118.70 112.96 2pkr s GLU 276 Ca 0.33 0.51 -0.18 0.00 -0.41 0.00 0.00 54.97 55.22 2pkr s GLU 276 Cb 0.20 -2.87 0.04 0.00 -1.78 0.00 0.00 34.13 29.72 2pkr s GLU 276 CO 0.28 0.44 1.86 -0.35 -0.49 0.00 0.00 175.26 177.00 2pkr n PRO 277 N 0.63 2.91 -3.43 0.39 -0.04 -1.26 -4.93 135.00 129.28 2pkr n PRO 277 Ca -0.04 -3.03 -0.19 0.00 -0.04 0.00 0.00 63.50 60.20 2pkr n PRO 277 Cb 0.52 -3.47 -0.01 0.00 -0.04 0.00 0.00 33.50 30.50 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 4.50 3.71 0.38 1.53 1.43 -1.26 -5.14 118.68 123.83 2pkr s LEU 278 Ca 0.54 -0.41 0.07 0.00 -1.03 0.00 0.00 54.13 53.31 2pkr s LEU 278 Cb 0.06 -2.50 -0.07 0.00 0.03 0.00 0.00 46.19 43.70 2pkr s LEU 278 CO 0.06 -0.55 -0.01 0.68 0.23 0.00 0.00 176.35 176.76 2pkr s VAL 279 N -2.30 1.98 0.29 -1.59 -7.23 -1.26 -5.05 120.40 105.24 2pkr s VAL 279 Ca 0.47 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 2pkr s VAL 279 Cb -0.08 -2.88 0.33 0.00 0.56 0.00 0.00 36.38 34.31 2pkr s VAL 279 CO 0.30 -0.06 1.63 0.77 -0.31 0.00 0.00 175.10 177.43 2pkr h SER 280 N 1.87 -0.11 -0.19 4.85 4.64 -1.98 -1.20 113.55 121.43 2pkr h SER 280 Ca -0.43 0.22 0.06 0.00 -0.47 0.00 0.00 61.79 61.16 2pkr h SER 280 Cb 1.24 0.32 -0.01 0.00 -0.31 0.00 0.00 62.40 63.64 2pkr h SER 280 CO 0.77 -0.22 0.15 -0.29 -0.87 0.00 0.00 176.83 176.37 2pkr h ILE 281 N 0.14 0.80 0.00 0.95 6.09 -1.97 -1.97 117.51 121.55 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 1.17 0.89 0.00 0.00 0.47 0.00 0.00 36.82 39.36 2pkr h ILE 281 CO -0.72 0.00 0.00 0.44 -3.07 0.00 0.00 178.15 174.80 2pkr h ASP 282 N 0.00 0.00 -0.59 2.19 3.32 -1.62 -2.84 116.42 116.87 2pkr h ASP 282 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2pkr h ASP 282 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2pkr h ASP 282 CO -0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 2pkr n PHE 283 N -2.72 0.79 -2.10 4.55 3.72 -0.74 -4.92 117.46 116.03 2pkr n PHE 283 Ca 0.01 -0.39 -0.41 0.00 -0.05 0.00 0.00 57.45 56.61 2pkr n PHE 283 Cb 0.27 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.79 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 -1.21 4.33 -1.20 -1.08 0.52 -1.08 -3.12 118.95 116.11 2pkr s ARG 284 Ca 0.40 2.20 -0.02 0.00 -0.52 0.00 0.00 55.73 57.79 2pkr s ARG 284 Cb 0.21 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.56 2pkr s ARG 284 CO 0.28 -0.30 0.32 0.00 0.02 0.00 0.00 175.30 175.62 2pkr s THR 286 N -2.94 5.08 -0.46 0.00 -4.23 -1.18 -4.98 115.64 106.94 2pkr s THR 286 Ca 0.16 0.90 0.26 0.00 -1.18 0.00 0.00 61.69 61.82 2pkr s THR 286 Cb -0.07 -3.76 0.32 0.00 1.34 0.00 0.00 72.50 70.32 2pkr s THR 286 CO 0.19 0.47 1.74 0.44 -0.54 0.00 0.00 174.62 176.92 2pkr h ASP 287 N 5.61 0.00 -3.92 3.99 3.32 -1.93 -3.35 116.42 120.15 2pkr h ASP 287 Ca -0.47 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.14 2pkr h ASP 287 Cb 1.20 0.00 0.16 0.00 0.22 0.00 0.00 39.33 40.91 2pkr h ASP 287 CO 0.68 0.00 0.22 0.68 -1.72 0.00 0.00 179.24 179.10 2pkr s VAL 288 N -3.26 1.94 -0.12 -1.35 -7.23 -1.26 -4.82 120.40 104.29 2pkr s VAL 288 Ca 0.07 0.00 0.19 0.00 -1.81 0.00 0.00 61.98 60.43 2pkr s VAL 288 Cb 0.09 -2.58 -0.25 0.00 0.56 0.00 0.00 36.38 34.20 2pkr s VAL 288 CO 0.58 0.00 0.41 -1.20 -0.31 0.00 0.00 175.10 174.58 2pkr n SER 289 N -4.16 0.21 -3.72 4.85 7.64 0.14 -4.63 113.62 113.95 2pkr n SER 289 Ca 0.07 0.09 -0.12 0.00 1.01 0.00 0.00 58.87 59.92 2pkr n SER 289 Cb 0.58 1.15 -0.10 0.00 -1.01 0.00 0.00 64.21 64.84 2pkr n SER 289 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2pkr s SER 290 N -5.21 -0.47 -0.18 6.43 0.15 -0.88 -3.99 113.70 109.55 2pkr s SER 290 Ca -0.07 0.89 -0.01 0.00 0.70 0.00 0.00 55.95 57.45 2pkr s SER 290 Cb 0.10 0.86 0.05 0.00 -1.71 0.00 0.00 66.02 65.32 2pkr s SER 290 CO 0.85 -0.16 -0.03 -0.89 1.20 0.00 0.00 173.24 174.21 2pkr s THR 291 N 0.54 1.07 0.17 6.45 2.01 -0.57 -0.84 115.64 124.46 2pkr s THR 291 Ca -0.02 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 60.96 2pkr s THR 291 Cb -0.04 -1.32 -0.08 0.00 0.01 0.00 0.00 72.50 71.07 2pkr s THR 291 CO -0.03 0.03 1.21 -0.63 -0.69 0.00 0.00 174.62 174.51 2pkr s ILE 292 N 1.64 3.58 -0.79 1.82 -1.09 -0.16 0.07 121.20 126.26 2pkr s ILE 292 Ca -0.01 1.30 -0.18 0.00 -2.23 0.00 0.00 60.65 59.53 2pkr s ILE 292 Cb -0.16 -3.83 0.14 0.00 -1.58 0.00 0.00 42.46 37.02 2pkr s ILE 292 CO -0.07 0.19 0.92 -0.62 -1.23 0.00 0.00 174.94 174.13 2pkr s ASP 293 N 0.25 6.49 0.30 3.58 -1.08 0.63 -0.58 116.67 126.27 2pkr s ASP 293 Ca 0.54 -1.92 0.05 0.00 -0.52 0.00 0.00 52.55 50.70 2pkr s ASP 293 Cb -0.33 -2.33 0.76 0.00 -1.46 0.00 0.00 42.92 39.56 2pkr s ASP 293 CO 0.36 -1.01 1.72 0.77 0.52 0.00 0.00 175.17 177.53 2pkr h SER 294 N 8.77 0.47 0.41 -0.34 4.64 -1.71 -1.68 113.55 124.11 2pkr h SER 294 Ca -0.02 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2pkr h SER 294 Cb 1.05 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2pkr h SER 294 CO 1.04 0.06 0.00 -1.54 -0.87 0.00 0.00 176.83 175.52 2pkr n SER 295 N -4.97 0.00 -0.16 4.97 3.41 -1.26 -2.33 113.62 113.28 2pkr n SER 295 Ca 0.23 0.28 0.10 0.00 -0.26 0.00 0.00 58.87 59.23 2pkr n SER 295 Cb 0.66 -0.39 -0.08 0.00 -0.26 0.00 0.00 64.21 64.13 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 -1.39 1.33 -4.72 1.04 4.77 -0.63 -4.94 117.00 112.46 2pkr n LEU 296 Ca 0.06 -0.58 -0.42 0.00 -0.03 0.00 0.00 56.01 55.03 2pkr n LEU 296 Cb 0.15 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2pkr n LEU 296 CO 0.13 0.29 1.17 -0.89 -1.33 0.00 0.00 177.39 176.76 2pkr s THR 297 N -2.83 2.92 0.06 -5.08 2.01 -0.99 -4.71 115.64 107.02 2pkr s THR 297 Ca 0.11 0.65 0.04 0.00 0.31 0.00 0.00 61.69 62.80 2pkr s THR 297 Cb 0.17 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 2pkr s THR 297 CO 0.77 0.05 -0.12 -0.04 -0.69 0.00 0.00 174.62 174.59 2pkr s MET 298 N 1.20 0.75 -0.09 4.92 -1.94 -0.93 -4.82 119.30 118.37 2pkr s MET 298 Ca 0.68 -0.86 -0.01 0.00 -1.71 0.00 0.00 55.69 53.79 2pkr s MET 298 Cb -0.41 -0.69 0.03 0.00 2.01 0.00 0.00 34.83 35.77 2pkr s MET 298 CO 0.31 0.15 -0.01 0.08 -0.01 0.00 0.00 175.02 175.54 2pkr s VAL 299 N -1.22 0.55 -0.23 -6.03 1.01 -1.26 -0.29 120.40 112.93 2pkr s VAL 299 Ca -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 2pkr s VAL 299 Cb -0.10 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.59 2pkr s VAL 299 CO 0.02 0.24 -0.07 -0.04 0.00 0.00 0.00 175.10 175.24 2pkr s MET 300 N 1.90 3.02 -0.74 2.72 -1.94 0.26 -4.56 119.30 119.96 2pkr s MET 300 Ca 0.04 -0.85 -0.02 0.00 -1.71 0.00 0.00 55.69 53.15 2pkr s MET 300 Cb -0.13 -2.95 0.00 0.00 2.01 0.00 0.00 34.83 33.76 2pkr s MET 300 CO -0.06 -0.32 0.22 0.41 -0.01 0.00 0.00 175.02 175.26 2pkr n GLY 301 N 4.71 0.10 4.28 -0.03 0.00 -1.26 -1.41 105.19 111.57 2pkr n GLY 301 Ca -0.17 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.12 0.00 0.00 1.61 8.00 -1.26 -4.48 116.55 120.29 2pkr n ASP 302 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 2pkr n ASP 302 Cb 0.56 -1.01 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 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 0.00 -4.23 -2.24 5.68 -1.22 -0.41 116.55 114.13 2pkr n ASP 303 Ca 0.00 -1.00 -0.39 0.00 -0.50 0.00 0.00 54.79 52.90 2pkr n ASP 303 Cb 0.00 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 39.88 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 0.00 2.46 -0.20 0.11 1.75 -0.50 -1.07 119.30 121.86 2pkr s MET 304 Ca 0.00 -1.53 -0.09 0.00 -1.25 0.00 0.00 55.69 52.81 2pkr s MET 304 Cb 0.00 -3.70 -0.05 0.00 2.84 0.00 0.00 34.83 33.92 2pkr s MET 304 CO 0.00 -0.96 0.12 0.08 -0.65 0.00 0.00 175.02 173.60 2pkr s VAL 305 N 1.35 5.28 -0.14 10.11 1.01 0.23 -0.57 120.40 137.67 2pkr s VAL 305 Ca 0.03 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 2pkr s VAL 305 Cb -0.23 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 2pkr s VAL 305 CO 0.00 0.44 -0.12 -0.75 0.00 0.00 0.00 175.10 174.68 2pkr s LYS 306 N 0.39 3.38 -0.05 2.72 2.20 0.60 -1.16 119.74 127.81 2pkr s LYS 306 Ca 0.07 -0.68 0.03 0.00 -0.36 0.00 0.00 55.97 55.03 2pkr s LYS 306 Cb -0.11 -2.69 0.01 0.00 -1.51 0.00 0.00 37.83 33.53 2pkr s LYS 306 CO -0.01 0.14 -0.13 0.08 -0.36 0.00 0.00 175.35 175.07 2pkr s VAL 307 N 0.54 1.14 -0.24 4.02 1.01 0.99 -2.20 120.40 125.65 2pkr s VAL 307 Ca -0.08 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 2pkr s VAL 307 Cb -0.16 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 2pkr s VAL 307 CO 0.04 0.35 -0.00 -0.63 0.00 0.00 0.00 175.10 174.85 2pkr s ILE 308 N 0.41 3.64 -0.08 2.22 -1.09 -1.26 -1.44 121.20 123.59 2pkr s ILE 308 Ca -0.09 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 57.88 2pkr s ILE 308 Cb -0.13 -2.71 0.01 0.00 -1.58 0.00 0.00 42.46 38.04 2pkr s ILE 308 CO 0.03 0.34 -0.18 0.00 -1.23 0.00 0.00 174.94 173.89 2pkr s ALA 309 N 1.50 1.73 0.27 9.38 0.00 -0.43 -0.26 121.76 133.95 2pkr s ALA 309 Ca 0.05 -0.71 -0.11 0.00 0.00 0.00 0.00 51.96 51.20 2pkr s ALA 309 Cb -0.15 -0.68 -0.08 0.00 0.00 0.00 0.00 23.12 22.21 2pkr s ALA 309 CO -0.01 0.21 0.62 -1.58 0.00 0.00 0.00 175.76 175.00 2pkr s TRP 310 N 0.46 3.41 -0.26 0.00 0.52 0.11 -0.62 118.94 122.58 2pkr s TRP 310 Ca -0.16 0.97 -0.18 0.00 0.02 0.00 0.00 56.10 56.76 2pkr s TRP 310 Cb -0.17 -2.34 0.07 0.00 -1.15 0.00 0.00 33.47 29.88 2pkr s TRP 310 CO 0.06 0.19 0.65 1.52 0.02 0.00 0.00 176.95 179.39 2pkr s TYR 311 N -1.92 -0.89 -0.78 -1.98 1.13 -0.31 -1.51 117.35 111.08 2pkr s TYR 311 Ca 0.49 1.91 -0.26 0.00 -1.41 0.00 0.00 57.07 57.80 2pkr s TYR 311 Cb -0.11 0.45 0.03 0.00 -1.10 0.00 0.00 41.96 41.24 2pkr s TYR 311 CO 0.21 -0.44 1.32 0.34 -2.51 0.00 0.00 175.55 174.47 2pkr s ASP 312 N 1.14 6.20 0.63 -0.18 -1.08 -1.26 -0.70 116.67 121.42 2pkr s ASP 312 Ca -0.06 -0.60 0.36 0.00 -0.52 0.00 0.00 52.55 51.73 2pkr s ASP 312 Cb -0.05 -2.56 2.06 0.00 -1.46 0.00 0.00 42.92 40.91 2pkr s ASP 312 CO -0.12 -1.80 2.26 -0.55 0.52 0.00 0.00 175.17 175.49 2pkr h ASN 313 N 10.09 0.00 0.00 -0.34 -1.07 -1.91 -0.71 115.58 121.64 2pkr h ASN 313 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.17 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 1.30 0.00 -0.60 -0.62 0.07 0.00 0.00 177.43 177.58 2pkr n GLU 314 N -3.43 0.44 -0.04 4.14 1.02 -1.26 -4.17 120.64 117.34 2pkr n GLU 314 Ca -0.02 0.42 -0.14 0.00 -0.02 0.00 0.00 57.16 57.40 2pkr n GLU 314 Cb 0.13 -1.55 -0.09 0.00 -0.02 0.00 0.00 31.44 29.92 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 -0.93 0.31 -0.69 -0.32 2.91 -1.93 -1.82 115.95 113.48 2pkr h TRP 315 Ca 0.00 -0.11 -0.04 0.00 1.13 0.00 0.00 58.89 59.87 2pkr h TRP 315 Cb 0.60 -0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 29.17 2pkr h TRP 315 CO -0.26 0.75 0.26 0.78 -1.03 0.00 0.00 178.44 178.94 2pkr h GLY 316 N -0.22 1.10 1.04 2.65 0.00 -1.26 -0.54 103.07 105.83 2pkr h GLY 316 Ca 0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 47.33 46.63 2pkr h GLY 316 CO 0.03 0.56 -0.14 -1.82 0.00 0.00 0.00 176.54 175.17 2pkr h TYR 317 N 1.00 1.00 -0.34 5.60 3.20 -1.61 -2.82 116.97 123.00 2pkr h TYR 317 Ca 0.23 -0.23 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 2pkr h TYR 317 Cb 0.22 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 2pkr h TYR 317 CO 0.02 1.00 -0.01 0.77 -1.64 0.00 0.00 178.16 178.29 2pkr h SER 318 N 0.71 0.51 0.29 -2.11 0.02 -0.77 -0.36 113.55 111.83 2pkr h SER 318 Ca 0.11 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 2pkr h SER 318 Cb 0.69 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 2pkr h SER 318 CO 0.05 0.59 -0.27 1.56 -1.14 0.00 0.00 176.83 177.61 2pkr h GLN 319 N 0.52 0.00 -0.09 3.45 1.08 -0.93 -1.70 115.11 117.43 2pkr h GLN 319 Ca 0.11 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.11 2pkr h GLN 319 Cb 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 2pkr h GLN 319 CO 0.01 0.27 -0.78 0.00 -0.95 0.00 0.00 178.83 177.39 2pkr h ARG 320 N 0.00 0.54 -0.67 1.46 2.47 -0.86 -1.63 114.38 115.69 2pkr h ARG 320 Ca -0.00 -0.46 0.01 0.00 -1.26 0.00 0.00 59.98 58.27 2pkr h ARG 320 Cb 0.49 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.88 2pkr h ARG 320 CO 0.04 1.08 0.44 0.28 0.56 0.00 0.00 179.97 182.37 2pkr h VAL 321 N 0.36 1.16 -0.46 2.04 2.07 -0.62 0.23 116.25 121.04 2pkr h VAL 321 Ca -0.05 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2pkr h VAL 321 Cb 1.38 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2pkr h VAL 321 CO 0.14 0.16 0.23 0.58 0.02 0.00 0.00 177.57 178.71 2pkr h VAL 322 N 0.90 1.18 -0.80 2.57 2.07 -1.26 0.26 116.25 121.16 2pkr h VAL 322 Ca 0.25 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.30 2pkr h VAL 322 Cb -0.09 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 2pkr h VAL 322 CO -0.06 0.19 0.52 0.44 0.02 0.00 0.00 177.57 178.68 2pkr h ASP 323 N 0.60 0.89 0.00 0.57 3.32 -0.26 0.21 116.42 121.75 2pkr h ASP 323 Ca 0.16 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 2pkr h ASP 323 Cb 0.09 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2pkr h ASP 323 CO -0.02 0.63 -0.42 0.25 -1.72 0.00 0.00 179.24 177.96 2pkr h LEU 324 N 1.05 0.55 -0.73 1.55 5.85 -0.30 -2.08 115.31 121.20 2pkr h LEU 324 Ca 0.30 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 2pkr h LEU 324 Cb -0.08 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 2pkr h LEU 324 CO -0.08 0.91 0.13 0.00 -0.34 0.00 0.00 178.44 179.05 2pkr h ALA 325 N 1.12 0.95 -0.76 1.25 0.00 -0.01 -2.03 119.26 119.77 2pkr h ALA 325 Ca 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2pkr h ALA 325 Cb 0.92 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2pkr h ALA 325 CO 0.08 0.66 0.39 -0.44 0.00 0.00 0.00 179.25 179.95 2pkr h ASP 326 N 1.03 0.97 -0.80 0.00 3.32 -0.36 -1.53 116.42 119.05 2pkr h ASP 326 Ca 0.21 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 2pkr h ASP 326 Cb 0.41 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 2pkr h ASP 326 CO 0.01 0.81 0.38 0.40 -1.72 0.00 0.00 179.24 179.12 2pkr h ILE 327 N 1.06 1.25 -0.53 0.35 2.04 -0.93 0.14 117.51 120.88 2pkr h ILE 327 Ca 0.27 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.42 2pkr h ILE 327 Cb 0.07 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 2pkr h ILE 327 CO -0.04 0.30 0.35 0.58 0.00 0.00 0.00 178.15 179.35 2pkr h VAL 328 N 1.15 1.13 -0.58 1.67 2.07 -0.79 -1.60 116.25 119.31 2pkr h VAL 328 Ca 0.28 -0.25 -0.10 0.00 0.82 0.00 0.00 66.70 67.46 2pkr h VAL 328 Cb 0.12 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 2pkr h VAL 328 CO -0.03 0.13 -0.02 0.00 0.02 0.00 0.00 177.57 177.67 2pkr h ALA 329 N 1.20 0.87 0.00 1.67 0.00 -0.66 -2.39 119.26 119.96 2pkr h ALA 329 Ca 0.20 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2pkr h ALA 329 Cb -0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2pkr h ALA 329 CO -0.05 0.66 -0.23 -0.91 0.00 0.00 0.00 179.25 178.72 2pkr h ASN 330 N 0.93 0.00 -0.42 0.00 -0.26 -0.67 -2.99 115.58 112.17 2pkr h ASN 330 Ca 0.16 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 2pkr h ASN 330 Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.83 2pkr h ASN 330 CO 0.03 0.23 0.00 0.29 -1.06 0.00 0.00 177.43 176.92 2pkr n LYS 331 N -3.41 3.03 -1.98 0.81 4.76 -0.63 -5.01 118.16 115.74 2pkr n LYS 331 Ca 0.00 -2.43 -0.41 0.00 -2.87 0.00 0.00 58.31 52.60 2pkr n LYS 331 Cb 0.43 -1.54 -0.01 0.00 -1.84 0.00 0.00 35.03 32.07 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 -1.55 2.87 -0.71 2.13 -0.11 -0.91 -4.53 118.94 116.13 2pkr s TRP 332 Ca 0.35 1.25 0.04 0.00 1.22 0.00 0.00 56.10 58.96 2pkr s TRP 332 Cb 0.22 -3.84 0.23 0.00 -1.50 0.00 0.00 33.47 28.58 2pkr s TRP 332 CO 0.18 -2.45 0.72 1.04 -4.62 0.00 0.00 176.95 171.81 2pkr n GLN 333 N 0.96 2.44 0.00 5.86 6.02 -1.26 -5.09 117.38 126.31 2pkr n GLN 333 Ca 0.02 -4.60 0.00 0.00 -0.01 0.00 0.00 57.00 52.41 2pkr n GLN 333 Cb 0.40 -2.30 0.00 0.00 1.02 0.00 0.00 30.24 29.37 2pkr n GLN 333 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46