#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jul s LEU -1 N 0.00 2.43 -0.13 1.04 2.96 -1.26 -5.00 118.68 118.72 3jul s LEU -1 Ca 0.00 -0.86 -0.03 0.00 -0.22 0.00 0.00 54.13 53.02 3jul s LEU -1 Cb 0.00 0.08 -0.03 0.00 0.50 0.00 0.00 46.19 46.74 3jul s LEU -1 CO 0.00 -0.47 -0.03 -0.63 -1.32 0.00 0.00 176.35 173.90 3jul s ILE 2 N -3.14 3.98 -0.08 6.68 1.01 -1.23 -4.38 121.20 124.04 3jul s ILE 2 Ca 0.02 -0.34 0.05 0.00 0.00 0.00 0.00 60.65 60.38 3jul s ILE 2 Cb 0.02 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.78 3jul s ILE 2 CO -0.06 0.53 -0.24 -0.31 0.00 0.00 0.00 174.94 174.86 3jul s TYR 3 N -0.11 2.49 0.01 3.97 2.02 -1.26 -1.50 117.35 122.97 3jul s TYR 3 Ca 0.03 -0.85 0.03 0.00 -0.37 0.00 0.00 57.07 55.91 3jul s TYR 3 Cb -0.13 -1.65 -0.03 0.00 -0.40 0.00 0.00 41.96 39.75 3jul s TYR 3 CO 0.02 -0.30 -0.05 0.95 -1.57 0.00 0.00 175.55 174.61 3jul s THR 4 N 0.04 3.75 -0.19 -0.71 -4.23 -0.90 0.72 115.64 114.13 3jul s THR 4 Ca -0.10 -0.77 -0.00 0.00 -1.18 0.00 0.00 61.69 59.64 3jul s THR 4 Cb -0.15 -2.65 0.05 0.00 1.34 0.00 0.00 72.50 71.08 3jul s THR 4 CO 0.06 0.36 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.81 3jul s ILE 5 N -1.04 1.28 -0.84 2.99 1.01 0.05 -0.33 121.20 124.33 3jul s ILE 5 Ca 0.18 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 3jul s ILE 5 Cb -0.11 -1.46 0.21 0.00 0.01 0.00 0.00 42.46 41.11 3jul s ILE 5 CO 0.09 0.09 0.72 -0.89 0.00 0.00 0.00 174.94 174.94 3jul s THR 6 N 1.55 4.39 0.38 2.92 2.01 0.03 -1.11 115.64 125.81 3jul s THR 6 Ca -0.01 -3.52 0.14 0.00 0.31 0.00 0.00 61.69 58.61 3jul s THR 6 Cb -0.16 -3.75 0.36 0.00 0.01 0.00 0.00 72.50 68.96 3jul s THR 6 CO -0.08 -1.04 1.83 -0.07 -0.69 0.00 0.00 174.62 174.57 3jul h LEU 7 N 6.42 0.54 -6.02 4.42 3.38 -1.83 -3.20 115.31 119.03 3jul h LEU 7 Ca 0.11 0.06 -0.58 0.00 0.09 0.00 0.00 57.88 57.56 3jul h LEU 7 Cb 0.87 -0.04 -0.41 0.00 0.09 0.00 0.00 40.66 41.17 3jul h LEU 7 CO 0.82 0.21 -0.80 -3.20 0.09 0.00 0.00 178.44 175.56 3jul n ASN 8 N -4.59 2.54 -4.48 -0.43 5.15 -1.26 -4.32 115.26 107.87 3jul n ASN 8 Ca 0.21 -3.21 -0.31 0.00 -0.60 0.00 0.00 54.58 50.67 3jul n ASN 8 Cb 0.66 -0.64 0.19 0.00 -0.53 0.00 0.00 39.78 39.45 3jul n ASN 8 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3jul n PRO 9 N 0.86 -1.23 -3.94 1.20 -0.04 -1.21 -4.70 135.00 125.94 3jul n PRO 9 Ca 0.27 -0.32 -0.09 0.00 -0.04 0.00 0.00 63.50 63.33 3jul n PRO 9 Cb 0.46 -2.07 -0.04 0.00 -0.04 0.00 0.00 33.50 31.80 3jul n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jul s ALA 10 N -2.44 -0.54 -0.20 0.55 0.00 -0.83 -4.21 121.76 114.10 3jul s ALA 10 Ca 0.63 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.92 3jul s ALA 10 Cb -0.21 0.99 0.03 0.00 0.00 0.00 0.00 23.12 23.93 3jul s ALA 10 CO 0.64 -0.89 -0.16 0.42 0.00 0.00 0.00 175.76 175.76 3jul s ILE 11 N -3.98 1.99 -0.21 0.00 1.01 -0.76 0.14 121.20 119.40 3jul s ILE 11 Ca 0.18 -1.07 -0.27 0.00 0.00 0.00 0.00 60.65 59.49 3jul s ILE 11 Cb -0.02 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.55 3jul s ILE 11 CO 0.07 0.37 0.95 -1.81 0.00 0.00 0.00 174.94 174.53 3jul s ASP 12 N 1.28 7.03 -0.43 3.58 1.11 0.67 -1.53 116.67 128.37 3jul s ASP 12 Ca 0.01 1.28 -0.09 0.00 0.18 0.00 0.00 52.55 53.93 3jul s ASP 12 Cb -0.15 -2.50 0.09 0.00 1.07 0.00 0.00 42.92 41.43 3jul s ASP 12 CO -0.11 -0.57 0.28 -0.60 1.18 0.00 0.00 175.17 175.36 3jul s ARG 13 N 2.84 2.54 -0.13 8.23 3.52 -0.61 -1.07 118.95 134.27 3jul s ARG 13 Ca 0.41 -1.57 -0.29 0.00 -0.13 0.00 0.00 55.73 54.15 3jul s ARG 13 Cb -0.16 -3.82 -0.02 0.00 -1.56 0.00 0.00 34.95 29.40 3jul s ARG 13 CO 0.08 -1.03 1.18 -0.51 -0.81 0.00 0.00 175.30 174.21 3jul s LEU 14 N 1.39 4.21 -0.32 -0.88 1.02 0.40 -1.63 118.68 122.87 3jul s LEU 14 Ca 0.04 1.67 -0.02 0.00 0.02 0.00 0.00 54.13 55.83 3jul s LEU 14 Cb -0.24 -3.55 0.06 0.00 0.02 0.00 0.00 46.19 42.48 3jul s LEU 14 CO 0.01 -0.66 0.04 -0.76 0.02 0.00 0.00 176.35 175.00 3jul s LEU 15 N 2.88 4.14 -0.30 1.79 1.43 0.09 -0.87 118.68 127.84 3jul s LEU 15 Ca 0.53 -1.36 -0.20 0.00 -1.03 0.00 0.00 54.13 52.06 3jul s LEU 15 Cb -0.21 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 3jul s LEU 15 CO 0.16 -0.31 0.63 -0.36 0.23 0.00 0.00 176.35 176.70 3jul s PHE 16 N 1.25 3.22 0.50 0.29 0.08 -0.96 -0.59 117.98 121.78 3jul s PHE 16 Ca -0.03 0.61 0.01 0.00 0.12 0.00 0.00 56.93 57.65 3jul s PHE 16 Cb -0.20 -2.96 -0.01 0.00 -0.57 0.00 0.00 43.02 39.27 3jul s PHE 16 CO -0.01 -0.45 0.01 0.96 -0.10 0.00 0.00 175.22 175.63 3jul s ILE 17 N 2.59 1.12 -0.09 0.64 -4.36 -1.15 0.12 121.20 120.07 3jul s ILE 17 Ca 0.25 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.52 3jul s ILE 17 Cb -0.15 -2.18 -0.05 0.00 1.25 0.00 0.00 42.46 41.33 3jul s ILE 17 CO 0.11 0.00 0.28 -0.13 0.24 0.00 0.00 174.94 175.45 3jul s ARG 18 N -3.86 3.88 3.27 0.37 0.52 -1.26 -4.36 118.95 117.51 3jul s ARG 18 Ca 0.07 0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.42 3jul s ARG 18 Cb 0.02 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 32.21 3jul s ARG 18 CO 0.04 0.57 0.00 0.41 0.02 0.00 0.00 175.30 176.34 3jul n GLY 19 N 2.40 0.98 3.84 -3.53 0.00 -1.26 -4.80 105.19 102.81 3jul n GLY 19 Ca -0.15 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 3jul n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jul s GLU 20 N 0.00 1.53 -0.52 1.61 0.41 -1.26 -4.76 118.70 115.71 3jul s GLU 20 Ca 0.00 0.20 -0.16 0.00 -0.41 0.00 0.00 54.97 54.60 3jul s GLU 20 Cb 0.00 -1.89 0.11 0.00 -1.78 0.00 0.00 34.13 30.57 3jul s GLU 20 CO 0.00 -1.91 0.47 -1.17 -0.49 0.00 0.00 175.26 172.16 3jul s LEU 21 N -5.82 5.98 0.77 1.80 2.96 -1.26 -5.06 118.68 118.04 3jul s LEU 21 Ca 0.63 -1.62 -0.13 0.00 -0.22 0.00 0.00 54.13 52.78 3jul s LEU 21 Cb -0.13 -2.21 0.06 0.00 0.50 0.00 0.00 46.19 44.42 3jul s LEU 21 CO 0.51 -0.80 1.17 -1.61 -1.32 0.00 0.00 176.35 174.31 3jul s GLU 22 N 1.65 1.97 -0.34 1.98 0.41 -1.26 -4.96 118.70 118.14 3jul s GLU 22 Ca 0.04 1.61 0.06 0.00 -0.41 0.00 0.00 54.97 56.28 3jul s GLU 22 Cb -0.28 -1.83 0.47 0.00 -1.78 0.00 0.00 34.13 30.71 3jul s GLU 22 CO 0.04 -1.94 1.41 0.36 -0.49 0.00 0.00 175.26 174.65 3jul n LYS 23 N -3.11 2.74 0.00 1.61 -0.00 -1.26 -4.39 118.16 113.74 3jul n LYS 23 Ca 0.12 -3.66 0.00 0.00 -0.00 0.00 0.00 58.31 54.78 3jul n LYS 23 Cb 0.51 -2.08 0.00 0.00 -0.00 0.00 0.00 35.03 33.46 3jul n LYS 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3jul n ARG 24 N -0.91 0.00 -3.37 -1.58 1.74 -1.26 -5.13 116.66 106.14 3jul n ARG 24 Ca 0.41 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 57.28 3jul n ARG 24 Cb 0.91 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.37 3jul n ARG 24 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3jul s LYS 25 N 0.00 2.39 -0.23 5.56 -0.14 -1.26 -5.10 119.74 120.96 3jul s LYS 25 Ca 0.00 -1.69 -0.10 0.00 -1.36 0.00 0.00 55.97 52.82 3jul s LYS 25 Cb 0.00 -2.45 -0.05 0.00 -1.68 0.00 0.00 37.83 33.65 3jul s LYS 25 CO 0.00 -0.61 0.14 0.99 -0.76 0.00 0.00 175.35 175.11 3jul s THR 26 N -2.63 5.23 -0.36 2.17 2.01 -1.26 -4.94 115.64 115.85 3jul s THR 26 Ca 0.50 0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.62 3jul s THR 26 Cb -0.05 -3.43 0.09 0.00 0.01 0.00 0.00 72.50 69.12 3jul s THR 26 CO 0.31 0.36 0.11 0.20 -0.69 0.00 0.00 174.62 174.91 3jul s ASN 27 N 0.97 5.07 0.23 3.53 -0.87 -1.26 -5.02 114.94 117.58 3jul s ASN 27 Ca 0.07 -1.75 -0.30 0.00 -1.57 0.00 0.00 52.86 49.31 3jul s ASN 27 Cb -0.13 -1.76 -0.09 0.00 -0.02 0.00 0.00 41.25 39.24 3jul s ASN 27 CO 0.04 -0.42 1.31 -0.13 -2.57 0.00 0.00 177.10 175.33 3jul s ARG 28 N 1.16 4.38 -0.17 -0.60 0.52 -1.26 -5.00 118.95 117.98 3jul s ARG 28 Ca 0.03 2.09 -0.22 0.00 -0.52 0.00 0.00 55.73 57.12 3jul s ARG 28 Cb -0.21 -3.17 -0.02 0.00 0.52 0.00 0.00 34.95 32.07 3jul s ARG 28 CO -0.03 -0.24 0.68 0.08 0.02 0.00 0.00 175.30 175.81 3jul s VAL 29 N -0.15 4.99 0.08 3.52 1.01 -1.26 -4.37 120.40 124.22 3jul s VAL 29 Ca 0.55 1.31 -0.15 0.00 0.00 0.00 0.00 61.98 63.70 3jul s VAL 29 Cb -0.37 -4.00 -0.18 0.00 0.00 0.00 0.00 36.38 31.83 3jul s VAL 29 CO 0.41 0.11 1.25 0.40 0.00 0.00 0.00 175.10 177.28 3jul h ILE 30 N 5.13 1.31 -2.23 2.22 2.04 0.61 -3.47 117.51 123.11 3jul h ILE 30 Ca -0.32 -1.99 -0.04 0.00 1.00 0.00 0.00 64.86 63.51 3jul h ILE 30 Cb 1.15 2.14 -0.17 0.00 -0.74 0.00 0.00 36.82 39.19 3jul h ILE 30 CO 0.79 0.62 0.23 -1.59 0.00 0.00 0.00 178.15 178.19 3jul s LYS 31 N -3.63 1.08 -0.01 2.37 -2.85 -1.23 -5.04 119.74 110.43 3jul s LYS 31 Ca -0.11 0.05 0.04 0.00 -1.00 0.00 0.00 55.97 54.95 3jul s LYS 31 Cb 0.07 0.50 -0.03 0.00 -2.06 0.00 0.00 37.83 36.32 3jul s LYS 31 CO 0.89 -0.38 -0.11 0.99 0.10 0.00 0.00 175.35 176.84 3jul s THR 32 N -1.89 3.32 0.01 3.79 2.01 -1.26 -2.26 115.64 119.36 3jul s THR 32 Ca -0.07 -0.83 0.02 0.00 0.31 0.00 0.00 61.69 61.11 3jul s THR 32 Cb -0.00 -2.40 -0.01 0.00 0.01 0.00 0.00 72.50 70.10 3jul s THR 32 CO 0.03 0.44 -0.06 -1.61 -0.69 0.00 0.00 174.62 172.74 3jul s GLU 33 N -1.22 0.42 0.11 4.92 2.02 -0.05 -4.98 118.70 119.93 3jul s GLU 33 Ca 0.15 -0.37 0.07 0.00 0.02 0.00 0.00 54.97 54.84 3jul s GLU 33 Cb -0.11 -0.32 -0.04 0.00 0.10 0.00 0.00 34.13 33.76 3jul s GLU 33 CO 0.05 0.08 -0.10 -0.06 0.02 0.00 0.00 175.26 175.25 3jul s PHE 34 N -0.57 2.74 0.19 1.61 0.08 -1.26 0.15 117.98 120.91 3jul s PHE 34 Ca -0.03 -0.16 -0.16 0.00 0.12 0.00 0.00 56.93 56.71 3jul s PHE 34 Cb -0.05 -1.42 0.02 0.00 -0.57 0.00 0.00 43.02 41.00 3jul s PHE 34 CO -0.00 0.43 0.47 0.34 -0.10 0.00 0.00 175.22 176.37 3jul s ASP 35 N -2.27 -0.20 0.32 1.36 2.15 -0.23 -4.96 116.67 112.84 3jul s ASP 35 Ca 0.22 -0.55 -0.23 0.00 0.43 0.00 0.00 52.55 52.41 3jul s ASP 35 Cb -0.11 0.55 -0.10 0.00 -0.30 0.00 0.00 42.92 42.96 3jul s ASP 35 CO 0.14 -1.01 0.89 0.00 -0.17 0.00 0.00 175.17 175.02 3jul s GLY 37 N -1.75 2.02 0.00 0.00 0.00 0.38 -4.42 107.32 103.55 3jul s GLY 37 Ca 0.51 -1.93 0.00 0.00 0.00 0.00 0.00 44.72 43.30 3jul s GLY 37 CO 0.21 -1.88 0.00 0.61 0.00 0.00 0.00 173.10 172.04 3jul n GLY 38 N -0.95 2.59 0.17 0.20 0.00 -1.26 -1.97 105.19 103.97 3jul n GLY 38 Ca -0.04 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.37 3jul n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jul h LYS 39 N 0.00 -0.35 -0.56 1.61 1.79 -1.90 -1.95 116.57 115.20 3jul h LYS 39 Ca 0.00 0.02 0.11 0.00 -2.18 0.00 0.00 60.65 58.61 3jul h LYS 39 Cb 0.00 0.08 -0.11 0.00 -1.58 0.00 0.00 32.23 30.62 3jul h LYS 39 CO 0.00 -0.22 -0.19 0.78 -1.08 0.00 0.00 179.45 178.75 3jul h GLY 40 N -0.39 0.29 0.77 3.86 0.00 -1.74 0.93 103.07 106.78 3jul h GLY 40 Ca -0.04 0.25 0.03 0.00 0.00 0.00 0.00 47.33 47.57 3jul h GLY 40 CO 0.06 -0.22 0.08 1.41 0.00 0.00 0.00 176.54 177.87 3jul h LEU 41 N -0.05 0.08 -1.25 3.11 3.38 -1.79 0.62 115.31 119.41 3jul h LEU 41 Ca 0.26 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.36 3jul h LEU 41 Cb 0.46 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 3jul h LEU 41 CO -0.60 0.08 0.56 0.45 0.09 0.00 0.00 178.44 179.01 3jul h HIS 42 N 0.20 0.90 -0.27 1.13 3.86 -0.41 0.15 115.15 120.72 3jul h HIS 42 Ca 0.12 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.24 3jul h HIS 42 Cb 0.09 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 3jul h HIS 42 CO -0.13 0.42 -0.32 0.28 0.86 0.00 0.00 177.93 179.03 3jul h VAL 43 N 0.84 1.28 -0.49 2.45 2.07 0.35 -2.39 116.25 120.35 3jul h VAL 43 Ca 0.40 -1.43 -0.10 0.00 0.82 0.00 0.00 66.70 66.39 3jul h VAL 43 Cb 0.41 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3jul h VAL 43 CO -0.16 0.45 -0.08 0.28 0.02 0.00 0.00 177.57 178.08 3jul h SER 44 N 0.48 0.87 -0.90 0.57 0.02 0.11 -1.85 113.55 112.86 3jul h SER 44 Ca 0.06 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3jul h SER 44 Cb 0.79 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.05 3jul h SER 44 CO 0.06 0.98 0.57 1.23 -1.14 0.00 0.00 176.83 178.53 3jul h GLY 45 N 0.98 1.28 0.55 -3.77 0.00 -0.43 -1.86 103.07 99.81 3jul h GLY 45 Ca 0.14 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 3jul h GLY 45 CO 0.04 0.49 -0.09 -2.08 0.00 0.00 0.00 176.54 174.89 3jul h VAL 46 N 1.23 1.43 -0.69 4.60 2.07 -1.16 -2.95 116.25 120.77 3jul h VAL 46 Ca 0.33 -1.40 0.14 0.00 0.82 0.00 0.00 66.70 66.58 3jul h VAL 46 Cb -0.11 2.25 -0.10 0.00 -1.52 0.00 0.00 31.29 31.82 3jul h VAL 46 CO -0.07 0.38 0.20 -0.07 0.02 0.00 0.00 177.57 178.04 3jul h LEU 47 N -0.37 0.11 -0.88 2.57 3.38 -1.12 -1.42 115.31 117.57 3jul h LEU 47 Ca 0.00 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3jul h LEU 47 Cb 0.66 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 3jul h LEU 47 CO 0.02 0.03 0.43 0.28 0.09 0.00 0.00 178.44 179.29 3jul h SER 48 N 0.33 1.11 0.52 -0.43 0.02 -1.37 -1.28 113.55 112.46 3jul h SER 48 Ca 0.38 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3jul h SER 48 Cb 0.59 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 3jul h SER 48 CO -0.43 0.93 -0.01 0.11 -1.14 0.00 0.00 176.83 176.29 3jul h LYS 49 N 1.22 0.00 -0.35 3.45 1.57 -1.09 0.13 116.57 121.50 3jul h LYS 49 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3jul h LYS 49 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3jul h LYS 49 CO -0.04 0.01 0.00 1.19 -0.57 0.00 0.00 179.45 180.04 3jul n PHE 50 N -3.12 0.47 -2.49 -1.35 3.72 -0.59 -4.91 117.46 109.18 3jul n PHE 50 Ca -0.01 -0.23 -0.21 0.00 -0.05 0.00 0.00 57.45 56.95 3jul n PHE 50 Cb 0.20 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.73 3jul n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3jul n GLY 51 N 1.27 -0.50 3.63 1.37 0.00 0.45 -4.96 105.19 106.45 3jul n GLY 51 Ca 0.17 0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3jul n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jul s ILE 52 N -3.05 4.92 0.35 -0.61 1.01 -0.59 -5.02 121.20 118.20 3jul s ILE 52 Ca 0.04 0.02 -0.28 0.00 0.00 0.00 0.00 60.65 60.44 3jul s ILE 52 Cb -0.02 -3.25 -0.10 0.00 0.01 0.00 0.00 42.46 39.10 3jul s ILE 52 CO 0.05 0.42 1.26 -0.75 0.00 0.00 0.00 174.94 175.92 3jul s LYS 53 N 0.68 4.28 0.06 2.79 2.47 -1.26 -4.05 119.74 124.71 3jul s LYS 53 Ca 0.05 2.09 -0.27 0.00 -1.56 0.00 0.00 55.97 56.28 3jul s LYS 53 Cb -0.13 -2.97 0.09 0.00 -1.46 0.00 0.00 37.83 33.36 3jul s LYS 53 CO 0.01 -0.21 0.91 0.54 0.16 0.00 0.00 175.35 176.76 3jul s ASN 54 N -0.69 -0.30 -0.02 1.43 2.20 -1.26 -3.51 114.94 112.80 3jul s ASN 54 Ca 0.51 -0.16 0.00 0.00 -0.94 0.00 0.00 52.86 52.28 3jul s ASN 54 Cb -0.37 0.43 0.02 0.00 -2.00 0.00 0.00 41.25 39.33 3jul s ASN 54 CO 0.48 -0.74 -0.00 -0.70 -2.94 0.00 0.00 177.10 173.19 3jul s GLU 55 N -3.21 0.23 -0.08 3.55 2.12 -0.56 -4.35 118.70 116.40 3jul s GLU 55 Ca 0.08 0.03 -0.15 0.00 0.36 0.00 0.00 54.97 55.29 3jul s GLU 55 Cb -0.01 -0.36 -0.05 0.00 0.26 0.00 0.00 34.13 33.97 3jul s GLU 55 CO -0.05 -0.08 0.38 0.00 -0.54 0.00 0.00 175.26 174.98 3jul s ALA 56 N 0.66 3.62 0.26 6.30 0.00 0.11 -2.12 121.76 130.59 3jul s ALA 56 Ca -0.06 -0.29 0.12 0.00 0.00 0.00 0.00 51.96 51.72 3jul s ALA 56 Cb -0.09 -2.44 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 3jul s ALA 56 CO -0.01 0.26 -0.21 -0.51 0.00 0.00 0.00 175.76 175.29 3jul s LEU 57 N -0.22 2.56 0.00 0.00 1.43 0.55 -1.95 118.68 121.05 3jul s LEU 57 Ca 0.22 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 3jul s LEU 57 Cb -0.15 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 44.96 3jul s LEU 57 CO 0.10 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.34 3jul n GLY 58 N -0.43 -1.50 3.10 -3.19 0.00 -1.26 -0.79 105.19 101.12 3jul n GLY 58 Ca -0.07 -1.41 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 3jul n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jul s ILE 59 N -2.32 2.42 0.25 -0.61 1.09 -1.25 -1.20 121.20 119.57 3jul s ILE 59 Ca 0.00 -1.60 0.06 0.00 -1.10 0.00 0.00 60.65 58.01 3jul s ILE 59 Cb 0.00 -2.43 -0.03 0.00 -1.06 0.00 0.00 42.46 38.94 3jul s ILE 59 CO 0.00 -0.08 0.29 0.00 -0.10 0.00 0.00 174.94 175.04 3jul s ALA 60 N 1.13 3.78 0.32 9.38 0.00 -0.47 -4.50 121.76 131.41 3jul s ALA 60 Ca -0.07 -1.33 -0.12 0.00 0.00 0.00 0.00 51.96 50.44 3jul s ALA 60 Cb -0.20 -1.52 -0.08 0.00 0.00 0.00 0.00 23.12 21.33 3jul s ALA 60 CO -0.04 0.23 0.69 0.20 0.00 0.00 0.00 175.76 176.84 3jul s GLY 61 N -3.92 2.18 0.01 0.00 0.00 -1.26 -1.22 107.32 103.11 3jul s GLY 61 Ca 0.34 -0.14 -0.22 0.00 0.00 0.00 0.00 44.72 44.70 3jul s GLY 61 CO 0.27 0.04 1.27 1.48 0.00 0.00 0.00 173.10 176.16 3jul h SER 62 N 2.00 0.30 -0.23 1.64 4.64 0.09 -3.27 113.55 118.72 3jul h SER 62 Ca -0.47 -0.54 0.07 0.00 -0.47 0.00 0.00 61.79 60.37 3jul h SER 62 Cb 1.18 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 3jul h SER 62 CO 0.66 0.78 0.36 0.44 -0.87 0.00 0.00 176.83 178.20 3jul h ASP 63 N -0.18 0.00 0.00 4.97 3.32 -1.31 -2.46 116.42 120.77 3jul h ASP 63 Ca 0.01 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 3jul h ASP 63 Cb 0.73 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.20 3jul h ASP 63 CO 0.04 0.00 -0.46 -0.46 -1.72 0.00 0.00 179.24 176.63 3jul n ASN 64 N -3.44 1.19 -0.10 6.45 6.94 -1.26 -4.85 115.26 120.20 3jul n ASN 64 Ca 0.03 -2.66 -0.08 0.00 -0.02 0.00 0.00 54.58 51.86 3jul n ASN 64 Cb 0.48 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 3jul n ASN 64 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 3jul h LEU 65 N 0.38 0.28 -0.93 -4.53 5.85 -1.48 -1.86 115.31 113.01 3jul h LEU 65 Ca -0.05 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.81 3jul h LEU 65 Cb 1.31 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 42.21 3jul h LEU 65 CO 0.02 0.20 0.55 0.44 -0.34 0.00 0.00 178.44 179.31 3jul h ASP 66 N 0.37 0.77 -0.46 1.25 3.32 -1.89 0.85 116.42 120.64 3jul h ASP 66 Ca 0.14 0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 3jul h ASP 66 Cb 0.03 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3jul h ASP 66 CO -0.08 0.39 -0.08 0.11 -1.72 0.00 0.00 179.24 177.85 3jul h LYS 67 N 0.84 0.86 -0.65 3.56 6.56 -1.82 -2.03 116.57 123.89 3jul h LYS 67 Ca 0.47 -0.32 -0.06 0.00 -1.06 0.00 0.00 60.65 59.69 3jul h LYS 67 Cb 0.53 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.11 3jul h LYS 67 CO -0.29 0.95 0.18 1.25 -2.06 0.00 0.00 179.45 179.48 3jul h LEU 68 N 0.70 0.95 -0.86 2.94 5.85 -0.38 -2.85 115.31 121.66 3jul h LEU 68 Ca 0.12 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.55 3jul h LEU 68 Cb 0.62 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3jul h LEU 68 CO 0.04 0.90 -0.41 1.88 -0.34 0.00 0.00 178.44 180.52 3jul h TYR 69 N 0.97 0.41 -0.49 1.25 -1.99 -0.71 -1.71 116.97 114.69 3jul h TYR 69 Ca 0.21 -0.11 -0.06 0.00 2.00 0.00 0.00 58.73 60.77 3jul h TYR 69 Cb 0.31 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 38.93 3jul h TYR 69 CO 0.02 0.70 0.08 0.00 -0.00 0.00 0.00 178.16 178.96 3jul h ALA 70 N 1.29 0.66 0.08 3.88 0.00 -1.21 0.79 119.26 124.75 3jul h ALA 70 Ca 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3jul h ALA 70 Cb 0.84 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3jul h ALA 70 CO 0.07 0.39 -0.04 0.82 0.00 0.00 0.00 179.25 180.49 3jul h ILE 71 N 0.70 1.01 -0.89 0.00 2.04 -1.33 -1.10 117.51 117.94 3jul h ILE 71 Ca 0.15 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.72 3jul h ILE 71 Cb 0.40 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.65 3jul h ILE 71 CO 0.01 0.08 0.59 -0.07 0.00 0.00 0.00 178.15 178.76 3jul h LEU 72 N -0.25 0.99 -0.65 1.44 3.38 -1.17 0.13 115.31 119.18 3jul h LEU 72 Ca -0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3jul h LEU 72 Cb 0.21 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3jul h LEU 72 CO 0.02 0.69 0.25 0.50 0.09 0.00 0.00 178.44 179.99 3jul h LYS 73 N 1.15 0.97 -0.70 1.13 3.64 -0.65 0.34 116.57 122.46 3jul h LYS 73 Ca 0.35 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 3jul h LYS 73 Cb -0.04 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 3jul h LYS 73 CO -0.09 0.82 0.27 1.49 -2.27 0.00 0.00 179.45 179.66 3jul h GLU 74 N 0.91 1.05 -0.37 1.90 4.81 0.02 -1.20 114.58 121.71 3jul h GLU 74 Ca 0.21 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3jul h GLU 74 Cb 0.22 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3jul h GLU 74 CO -0.02 0.88 0.00 1.63 -0.73 0.00 0.00 179.01 180.77 3jul n LYS 75 N -4.36 1.59 -3.92 1.92 4.76 0.34 -4.91 118.16 113.58 3jul n LYS 75 Ca 0.05 -0.72 -0.30 0.00 -2.87 0.00 0.00 58.31 54.47 3jul n LYS 75 Cb 0.19 -1.29 -0.00 0.00 -1.84 0.00 0.00 35.03 32.08 3jul n LYS 75 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3jul n HIS 76 N 0.09 -1.65 -3.84 2.13 8.25 -0.41 -4.83 115.22 114.95 3jul n HIS 76 Ca 0.07 0.56 -0.36 0.00 -0.26 0.00 0.00 57.72 57.72 3jul n HIS 76 Cb 0.25 -3.45 -0.13 0.00 1.12 0.00 0.00 29.99 27.78 3jul n HIS 76 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3jul s ILE 77 N -3.80 3.45 0.15 1.59 1.01 0.10 -4.84 121.20 118.86 3jul s ILE 77 Ca 0.20 -1.00 -0.30 0.00 0.00 0.00 0.00 60.65 59.55 3jul s ILE 77 Cb -0.08 -2.85 -0.07 0.00 0.01 0.00 0.00 42.46 39.47 3jul s ILE 77 CO 0.90 0.02 1.07 0.20 0.00 0.00 0.00 174.94 177.14 3jul s ASN 78 N 1.39 7.31 0.13 3.58 0.02 -1.26 -4.61 114.94 121.49 3jul s ASN 78 Ca -0.00 2.00 -0.09 0.00 -1.02 0.00 0.00 52.86 53.75 3jul s ASN 78 Cb -0.18 -2.60 -0.01 0.00 0.02 0.00 0.00 41.25 38.49 3jul s ASN 78 CO 0.00 -0.21 0.23 -1.38 0.02 0.00 0.00 177.10 175.77 3jul s HIS 79 N -0.03 0.28 -0.37 2.20 -3.43 -1.26 0.07 115.29 112.75 3jul s HIS 79 Ca 0.50 -0.68 0.12 0.00 -0.80 0.00 0.00 55.06 54.20 3jul s HIS 79 Cb -0.28 -0.07 0.37 0.00 -1.43 0.00 0.00 32.58 31.17 3jul s HIS 79 CO 0.33 -0.63 0.84 -3.47 -2.00 0.00 0.00 174.74 169.82 3jul n ASP 80 N -0.14 0.41 -4.71 7.38 2.03 -0.82 -4.88 116.55 115.82 3jul n ASP 80 Ca -0.11 -3.03 -0.35 0.00 0.52 0.00 0.00 54.79 51.82 3jul n ASP 80 Cb 0.63 -0.20 0.10 0.00 -0.72 0.00 0.00 41.12 40.93 3jul n ASP 80 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3jul s PHE 81 N -2.09 1.92 -0.03 -0.67 0.08 -1.26 -4.72 117.98 111.21 3jul s PHE 81 Ca 0.35 1.59 -0.05 0.00 0.12 0.00 0.00 56.93 58.93 3jul s PHE 81 Cb 0.36 -3.58 -0.04 0.00 -0.57 0.00 0.00 43.02 39.19 3jul s PHE 81 CO -0.05 -2.88 0.21 -0.51 -0.10 0.00 0.00 175.22 171.89 3jul s LEU 82 N -5.13 4.38 -0.09 -0.37 1.43 -0.34 -4.98 118.68 113.58 3jul s LEU 82 Ca 0.77 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 54.38 3jul s LEU 82 Cb -0.32 -2.52 -0.01 0.00 0.03 0.00 0.00 46.19 43.36 3jul s LEU 82 CO 0.46 0.29 -0.21 -0.69 0.23 0.00 0.00 176.35 176.43 3jul s VAL 83 N -1.25 2.40 -0.40 -1.59 1.01 -1.26 -1.37 120.40 117.95 3jul s VAL 83 Ca 0.25 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 3jul s VAL 83 Cb -0.13 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.34 3jul s VAL 83 CO 0.14 0.56 0.27 -0.70 0.00 0.00 0.00 175.10 175.37 3jul s GLU 84 N 0.11 2.98 0.32 2.72 2.56 -0.36 -4.96 118.70 122.08 3jul s GLU 84 Ca -0.10 -1.00 -0.29 0.00 0.00 0.00 0.00 54.97 53.58 3jul s GLU 84 Cb -0.16 -3.91 -0.10 0.00 2.00 0.00 0.00 34.13 31.96 3jul s GLU 84 CO 0.06 -0.71 1.37 0.00 -0.56 0.00 0.00 175.26 175.42 3jul s ALA 85 N 1.66 3.54 -0.13 6.30 0.00 -1.26 -2.06 121.76 129.80 3jul s ALA 85 Ca 0.04 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.34 3jul s ALA 85 Cb -0.19 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.41 3jul s ALA 85 CO 0.09 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.52 3jul n GLY 86 N 1.03 0.50 3.28 0.00 0.00 -1.26 -4.90 105.19 103.84 3jul n GLY 86 Ca 0.02 -0.61 -0.15 0.00 0.00 0.00 0.00 46.02 45.28 3jul n GLY 86 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3jul s THR 87 N -2.01 0.88 0.02 2.61 -1.32 -1.23 -4.93 115.64 109.66 3jul s THR 87 Ca 0.00 -2.01 0.09 0.00 -1.21 0.00 0.00 61.69 58.55 3jul s THR 87 Cb 0.00 -2.20 -0.02 0.00 -1.51 0.00 0.00 72.50 68.76 3jul s THR 87 CO 0.00 -0.42 -0.26 -0.44 -2.21 0.00 0.00 174.62 171.28 3jul s SER 88 N -3.23 3.10 0.33 8.08 0.01 -1.26 -0.09 113.70 120.64 3jul s SER 88 Ca 0.25 -0.54 -0.29 0.00 1.31 0.00 0.00 55.95 56.69 3jul s SER 88 Cb 0.06 -0.31 -0.10 0.00 0.21 0.00 0.00 66.02 65.87 3jul s SER 88 CO 0.06 0.28 1.38 -0.89 0.41 0.00 0.00 173.24 174.48 3jul s THR 89 N -0.72 2.52 0.96 1.44 2.01 -1.26 -4.65 115.64 115.95 3jul s THR 89 Ca 0.11 0.51 -0.12 0.00 0.31 0.00 0.00 61.69 62.51 3jul s THR 89 Cb -0.10 -3.33 0.17 0.00 0.01 0.00 0.00 72.50 69.25 3jul s THR 89 CO 0.01 0.12 1.09 0.00 -0.69 0.00 0.00 174.62 175.14 3jul s ARG 90 N -1.65 0.69 0.07 4.92 1.70 -1.26 -4.80 118.95 118.62 3jul s ARG 90 Ca 0.52 0.96 0.08 0.00 -0.47 0.00 0.00 55.73 56.82 3jul s ARG 90 Cb -0.42 -1.73 -0.03 0.00 -0.57 0.00 0.00 34.95 32.20 3jul s ARG 90 CO 0.54 -2.67 -0.23 -1.21 -1.08 0.00 0.00 175.30 170.65 3jul s GLU 91 N -4.77 1.39 -0.31 3.89 2.02 -1.26 -1.83 118.70 117.83 3jul s GLU 91 Ca 0.65 -1.09 -0.02 0.00 0.02 0.00 0.00 54.97 54.53 3jul s GLU 91 Cb -0.20 -1.61 0.05 0.00 0.10 0.00 0.00 34.13 32.47 3jul s GLU 91 CO 0.59 0.40 0.01 0.00 0.02 0.00 0.00 175.26 176.28 3jul s PHE 93 N 1.25 3.46 -0.42 0.00 0.08 -0.42 -1.57 117.98 120.35 3jul s PHE 93 Ca -0.04 1.51 -0.02 0.00 0.12 0.00 0.00 56.93 58.50 3jul s PHE 93 Cb -0.20 -3.18 0.11 0.00 -0.57 0.00 0.00 43.02 39.19 3jul s PHE 93 CO -0.01 -0.29 0.21 0.08 -0.10 0.00 0.00 175.22 175.12 3jul s VAL 94 N 2.30 3.24 -0.62 -0.44 1.01 -0.64 -0.55 120.40 124.70 3jul s VAL 94 Ca 0.46 -2.17 -0.28 0.00 0.00 0.00 0.00 61.98 59.99 3jul s VAL 94 Cb -0.17 -3.22 0.02 0.00 0.00 0.00 0.00 36.38 33.01 3jul s VAL 94 CO 0.14 -0.70 1.29 -0.69 0.00 0.00 0.00 175.10 175.14 3jul s VAL 95 N 1.00 3.86 0.00 2.92 1.01 0.37 -0.74 120.40 128.83 3jul s VAL 95 Ca 0.09 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.77 3jul s VAL 95 Cb -0.22 -4.68 0.00 0.00 0.00 0.00 0.00 36.38 31.47 3jul s VAL 95 CO -0.04 -1.42 0.00 -0.11 0.00 0.00 0.00 175.10 173.52 3jul n LEU 96 N 9.09 0.00 0.00 3.92 7.94 0.24 -2.07 117.00 136.12 3jul n LEU 96 Ca 0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 3jul n LEU 96 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.44 3jul n LEU 96 CO 0.71 -0.19 0.00 -0.24 -1.11 0.00 0.00 177.39 176.56 3jul n SER 97 N -1.26 0.00 0.01 1.96 2.88 -1.26 -2.94 113.62 113.01 3jul n SER 97 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 3jul n SER 97 Cb 0.00 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.63 3jul n SER 97 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3jul h ASP 98 N 0.00 0.51 0.66 -3.46 5.19 -1.94 -2.51 116.42 114.87 3jul h ASP 98 Ca 0.00 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 3jul h ASP 98 Cb 0.00 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.37 3jul h ASP 98 CO 0.00 0.78 0.00 0.47 -3.12 0.00 0.00 179.24 177.37 3jul n ASP 99 N -4.09 0.53 -3.88 6.45 8.00 -1.26 -4.81 116.55 117.49 3jul n ASP 99 Ca -0.01 0.64 -0.18 0.00 0.71 0.00 0.00 54.79 55.95 3jul n ASP 99 Cb 0.44 -0.75 -0.09 0.00 -0.02 0.00 0.00 41.12 40.70 3jul n ASP 99 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3jul s THR 100 N -3.26 0.18 -0.18 -3.53 -4.23 -0.94 -4.85 115.64 98.82 3jul s THR 100 Ca 0.05 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.71 3jul s THR 100 Cb 0.09 -2.50 0.40 0.00 1.34 0.00 0.00 72.50 71.83 3jul s THR 100 CO 0.36 0.00 1.27 -0.46 -0.54 0.00 0.00 174.62 175.25 3jul n ASN 101 N -0.96 2.52 -2.44 3.99 0.23 -1.26 -4.60 115.26 112.74 3jul n ASN 101 Ca 0.03 -3.38 -0.03 0.00 -0.53 0.00 0.00 54.58 50.67 3jul n ASN 101 Cb 0.64 -0.51 0.01 0.00 -2.08 0.00 0.00 39.78 37.85 3jul n ASN 101 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3jul n GLY 102 N -1.14 1.69 3.64 4.83 0.00 -1.26 -5.09 105.19 107.86 3jul n GLY 102 Ca 0.20 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.12 3jul n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jul s SER 103 N -1.57 -0.27 0.34 1.61 1.04 -1.26 -4.50 113.70 109.08 3jul s SER 103 Ca 0.10 0.44 0.02 0.00 0.48 0.00 0.00 55.95 56.98 3jul s SER 103 Cb -0.01 1.11 0.02 0.00 0.10 0.00 0.00 66.02 67.25 3jul s SER 103 CO 0.06 -0.07 0.18 0.41 0.98 0.00 0.00 173.24 174.80 3jul n THR 104 N 3.39 0.00 0.00 2.02 -1.04 -0.88 -4.96 114.28 112.81 3jul n THR 104 Ca -0.18 -1.41 0.00 0.00 -2.04 0.00 0.00 64.05 60.42 3jul n THR 104 Cb 0.57 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 3jul n THR 104 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3jul n ILE 106 N -1.16 0.00 -2.85 12.58 5.41 0.29 -0.48 119.36 133.14 3jul n ILE 106 Ca -0.05 0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.31 3jul n ILE 106 Cb 0.40 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.27 3jul n ILE 106 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3jul s PRO 107 N 0.00 4.70 0.51 0.38 0.04 -1.26 -1.30 135.00 138.07 3jul s PRO 107 Ca 0.00 1.32 -0.15 0.00 0.04 0.00 0.00 61.00 62.22 3jul s PRO 107 Cb 0.00 -3.20 -0.07 0.00 0.04 0.00 0.00 34.50 31.27 3jul s PRO 107 CO 0.00 0.51 0.96 -1.21 0.04 0.00 0.00 177.00 177.29 3jul s GLU 108 N -1.30 3.86 0.33 4.56 2.02 -0.25 -4.97 118.70 122.94 3jul s GLU 108 Ca 0.40 0.84 0.07 0.00 0.02 0.00 0.00 54.97 56.30 3jul s GLU 108 Cb -0.24 -2.17 0.57 0.00 0.10 0.00 0.00 34.13 32.40 3jul s GLU 108 CO 0.28 -0.28 1.78 0.00 0.02 0.00 0.00 175.26 177.06 3jul h ALA 109 N 0.76 1.26 0.00 5.21 0.00 -1.97 -3.45 119.26 121.06 3jul h ALA 109 Ca -0.46 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3jul h ALA 109 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3jul h ALA 109 CO 0.62 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.78 3jul n GLY 110 N -0.46 1.10 3.99 0.00 0.00 -1.26 -4.43 105.19 104.12 3jul n GLY 110 Ca -0.01 -1.96 -0.21 0.00 0.00 0.00 0.00 46.02 43.84 3jul n GLY 110 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3jul s PHE 111 N -2.03 2.60 -0.19 1.61 -0.12 -1.26 -4.68 117.98 113.91 3jul s PHE 111 Ca 0.00 -0.15 -0.24 0.00 -0.05 0.00 0.00 56.93 56.48 3jul s PHE 111 Cb 0.00 -2.70 -0.01 0.00 -0.63 0.00 0.00 43.02 39.68 3jul s PHE 111 CO 0.00 -0.93 0.80 0.99 -0.05 0.00 0.00 175.22 176.03 3jul s THR 112 N -2.74 4.89 0.15 -4.49 2.01 -1.26 -4.20 115.64 110.00 3jul s THR 112 Ca 0.58 1.55 -0.28 0.00 0.31 0.00 0.00 61.69 63.85 3jul s THR 112 Cb -0.09 -4.10 -0.07 0.00 0.01 0.00 0.00 72.50 68.24 3jul s THR 112 CO 0.38 0.02 0.89 -0.69 -0.69 0.00 0.00 174.62 174.53 3jul s VAL 113 N 2.23 4.39 0.41 3.82 1.01 -1.26 -5.03 120.40 125.97 3jul s VAL 113 Ca 0.36 1.94 -0.25 0.00 0.00 0.00 0.00 61.98 64.03 3jul s VAL 113 Cb -0.16 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 31.88 3jul s VAL 113 CO 0.11 0.42 1.15 -0.94 0.00 0.00 0.00 175.10 175.84 3jul s SER 114 N -0.56 6.48 0.29 3.32 1.04 -1.26 -4.92 113.70 118.09 3jul s SER 114 Ca 0.42 2.29 0.04 0.00 0.48 0.00 0.00 55.95 59.18 3jul s SER 114 Cb -0.24 -2.61 0.71 0.00 0.10 0.00 0.00 66.02 63.99 3jul s SER 114 CO 0.29 -0.70 1.74 -0.61 0.98 0.00 0.00 173.24 174.93 3jul h GLN 115 N 2.49 0.55 -0.57 4.02 5.75 -2.00 -1.19 115.11 124.16 3jul h GLN 115 Ca -0.49 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.02 3jul h GLN 115 Cb 1.23 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 29.61 3jul h GLN 115 CO 0.62 0.37 0.31 1.15 -2.65 0.00 0.00 178.83 178.62 3jul h THR 116 N 0.57 0.98 0.00 2.39 2.02 -2.00 -1.61 112.91 115.27 3jul h THR 116 Ca 0.56 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.53 3jul h THR 116 Cb 0.96 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3jul h THR 116 CO -0.45 0.11 0.00 0.78 0.37 0.00 0.00 175.52 176.33 3jul h ASN 117 N 0.59 0.00 -0.13 4.18 2.35 -1.61 0.34 115.58 121.31 3jul h ASN 117 Ca 0.25 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.89 3jul h ASN 117 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3jul h ASN 117 CO -0.15 0.00 -0.32 0.11 -1.65 0.00 0.00 177.43 175.42 3jul h LYS 118 N 0.00 0.44 -0.37 0.81 1.57 -0.86 -2.00 116.57 116.16 3jul h LYS 118 Ca 0.00 -0.31 -0.16 0.00 -1.87 0.00 0.00 60.65 58.32 3jul h LYS 118 Cb 0.64 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3jul h LYS 118 CO 0.00 0.92 -0.39 -0.44 -0.57 0.00 0.00 179.45 178.97 3jul h ASP 119 N 0.04 0.95 0.16 0.86 3.32 -1.13 -2.72 116.42 117.90 3jul h ASP 119 Ca -0.00 -0.43 -0.03 0.00 0.02 0.00 0.00 57.03 56.59 3jul h ASP 119 Cb 0.93 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 3jul h ASP 119 CO 0.07 1.22 -0.12 0.78 -1.72 0.00 0.00 179.24 179.47 3jul h ASN 120 N 0.72 0.00 -0.02 6.45 2.35 -0.90 -1.24 115.58 122.95 3jul h ASN 120 Ca 0.06 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.64 3jul h ASN 120 Cb 0.97 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.34 3jul h ASN 120 CO 0.09 0.12 -0.57 0.25 -1.65 0.00 0.00 177.43 175.67 3jul h LEU 121 N 0.00 0.68 0.05 1.61 5.85 -1.06 -1.90 115.31 120.54 3jul h LEU 121 Ca -0.00 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 3jul h LEU 121 Cb 0.23 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3jul h LEU 121 CO 0.02 1.11 -0.02 -0.07 -0.34 0.00 0.00 178.44 179.13 3jul h LEU 122 N 0.46 -0.06 -0.69 2.25 3.38 -0.96 -1.64 115.31 118.06 3jul h LEU 122 Ca 0.00 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 3jul h LEU 122 Cb 1.14 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3jul h LEU 122 CO 0.11 0.13 -0.55 0.07 0.09 0.00 0.00 178.44 178.29 3jul h LYS 123 N -0.24 0.29 -0.65 1.13 2.10 -1.51 -1.59 116.57 116.10 3jul h LYS 123 Ca -0.01 -0.18 0.13 0.00 -2.00 0.00 0.00 60.65 58.59 3jul h LYS 123 Cb 0.21 0.02 -0.09 0.00 -0.90 0.00 0.00 32.23 31.47 3jul h LYS 123 CO 0.01 0.77 0.16 0.37 -2.00 0.00 0.00 179.45 178.75 3jul h GLN 124 N 0.23 0.27 -0.38 0.07 4.15 -1.20 0.91 115.11 119.15 3jul h GLN 124 Ca 0.00 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.34 3jul h GLN 124 Cb 1.04 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 3jul h GLN 124 CO 0.09 0.18 -0.04 0.82 -1.93 0.00 0.00 178.83 177.95 3jul h ILE 125 N 0.28 1.27 -0.20 2.39 2.04 -0.78 -1.17 117.51 121.33 3jul h ILE 125 Ca 0.35 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 3jul h ILE 125 Cb 0.55 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 3jul h ILE 125 CO -0.43 0.36 0.10 0.00 0.00 0.00 0.00 178.15 178.17 3jul h ALA 126 N 0.86 0.26 0.00 1.87 0.00 -0.15 -0.17 119.26 121.93 3jul h ALA 126 Ca 0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3jul h ALA 126 Cb 0.53 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3jul h ALA 126 CO 0.03 -0.19 -0.13 0.87 0.00 0.00 0.00 179.25 179.83 3jul h LYS 127 N 0.19 0.00 0.00 0.00 6.56 0.85 -3.37 116.57 120.81 3jul h LYS 127 Ca 0.07 0.00 -0.43 0.00 -1.06 0.00 0.00 60.65 59.22 3jul h LYS 127 Cb 0.11 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 31.71 3jul h LYS 127 CO -0.01 0.13 -2.45 1.63 -2.06 0.00 0.00 179.45 176.69 3jul n LYS 128 N -3.45 0.55 -2.36 3.15 5.02 -0.45 -5.01 118.16 115.61 3jul n LYS 128 Ca -0.01 0.24 -0.42 0.00 -2.02 0.00 0.00 58.31 56.09 3jul n LYS 128 Cb 0.30 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 3jul n LYS 128 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3jul s VAL 129 N -2.48 4.03 0.30 -0.18 1.01 -0.10 -5.05 120.40 117.93 3jul s VAL 129 Ca -0.36 1.37 0.08 0.00 0.00 0.00 0.00 61.98 63.07 3jul s VAL 129 Cb 0.14 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 3jul s VAL 129 CO 0.46 -0.01 0.14 -0.54 0.00 0.00 0.00 175.10 175.15 3jul s LYS 130 N 2.39 2.53 0.45 2.72 -0.14 -1.26 -4.89 119.74 121.54 3jul s LYS 130 Ca 0.59 -1.36 0.16 0.00 -1.36 0.00 0.00 55.97 54.00 3jul s LYS 130 Cb -0.27 -2.31 1.11 0.00 -1.68 0.00 0.00 37.83 34.68 3jul s LYS 130 CO 0.23 0.24 1.98 0.87 -0.76 0.00 0.00 175.35 177.91 3jul h LYS 131 N 1.58 0.31 -0.00 1.68 1.57 -1.79 -0.30 116.57 119.62 3jul h LYS 131 Ca -0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3jul h LYS 131 Cb 1.25 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3jul h LYS 131 CO 0.61 0.21 -0.00 -0.85 -0.57 0.00 0.00 179.45 178.84 3jul n GLU 132 N -4.46 0.31 0.00 3.15 0.00 -1.26 -4.14 120.64 114.24 3jul n GLU 132 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.26 3jul n GLU 132 Cb 0.43 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.37 3jul n GLU 132 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3jul n ASP 133 N -1.34 0.00 -3.64 -1.84 8.00 -0.12 -4.50 116.55 113.11 3jul n ASP 133 Ca 0.12 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.52 3jul n ASP 133 Cb 0.27 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.30 3jul n ASP 133 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3jul s VAL 135 N 1.83 0.00 -0.40 2.53 1.01 0.16 -1.88 120.40 123.66 3jul s VAL 135 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3jul s VAL 135 Cb 0.00 -1.00 0.13 0.00 0.00 0.00 0.00 36.38 35.51 3jul s VAL 135 CO 0.00 0.00 0.20 -0.69 0.00 0.00 0.00 175.10 174.61 3jul s VAL 136 N 0.40 1.11 -0.34 2.92 1.01 0.22 -1.15 120.40 124.58 3jul s VAL 136 Ca 0.01 -2.17 -0.29 0.00 0.00 0.00 0.00 61.98 59.53 3jul s VAL 136 Cb -0.05 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.55 3jul s VAL 136 CO -0.05 -0.85 1.17 -0.63 0.00 0.00 0.00 175.10 174.73 3jul s ILE 137 N 0.75 4.32 -0.01 2.22 1.01 -0.91 -0.77 121.20 127.81 3jul s ILE 137 Ca 0.16 1.49 0.02 0.00 0.00 0.00 0.00 60.65 62.32 3jul s ILE 137 Cb -0.23 -4.35 -0.00 0.00 0.01 0.00 0.00 42.46 37.89 3jul s ILE 137 CO -0.05 -0.57 -0.08 0.00 0.00 0.00 0.00 174.94 174.24 3jul s ALA 138 N 4.06 0.67 0.00 9.38 0.00 -0.27 -1.78 121.76 133.82 3jul s ALA 138 Ca 0.50 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.14 3jul s ALA 138 Cb -0.13 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.80 3jul s ALA 138 CO 0.21 0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.53 3jul n GLY 139 N 2.99 1.45 3.88 0.00 0.00 -0.49 -2.54 105.19 110.48 3jul n GLY 139 Ca -0.14 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 3jul n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jul s SER 140 N -0.47 5.73 0.68 1.61 0.01 -1.26 -4.76 113.70 115.25 3jul s SER 140 Ca 0.00 1.18 -0.16 0.00 1.31 0.00 0.00 55.95 58.28 3jul s SER 140 Cb 0.00 -2.09 0.01 0.00 0.21 0.00 0.00 66.02 64.15 3jul s SER 140 CO 0.00 -1.15 1.19 -2.84 0.41 0.00 0.00 173.24 170.86 3jul s PRO 141 N -5.26 2.45 0.77 12.44 0.02 -1.26 -4.11 135.00 140.05 3jul s PRO 141 Ca 0.56 1.72 -0.11 0.00 0.02 0.00 0.00 61.00 63.19 3jul s PRO 141 Cb -0.11 -1.87 0.05 0.00 0.02 0.00 0.00 34.50 32.59 3jul s PRO 141 CO 0.52 -1.59 1.09 -1.25 -0.33 0.00 0.00 177.00 175.44 3jul s PRO 142 N -3.79 2.31 0.18 5.54 0.04 -1.26 -4.90 135.00 133.12 3jul s PRO 142 Ca 0.74 0.68 -0.32 0.00 0.04 0.00 0.00 61.00 62.14 3jul s PRO 142 Cb -0.28 -1.94 -0.16 0.00 0.04 0.00 0.00 34.50 32.16 3jul s PRO 142 CO 0.42 -1.47 1.07 -2.30 0.04 0.00 0.00 177.00 174.76 3jul n PRO 143 N -3.34 1.01 -1.40 0.56 -0.02 -1.26 -2.22 135.00 128.32 3jul n PRO 143 Ca 0.07 0.36 -0.14 0.00 -2.02 0.00 0.00 63.50 61.77 3jul n PRO 143 Cb 0.56 -1.79 -0.06 0.00 -0.02 0.00 0.00 33.50 32.19 3jul n PRO 143 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3jul n HIS 144 N 1.17 0.00 -3.13 6.00 8.25 -1.26 -4.49 115.22 121.76 3jul n HIS 144 Ca 0.15 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.16 3jul n HIS 144 Cb 0.25 -2.69 -0.03 0.00 1.12 0.00 0.00 29.99 28.63 3jul n HIS 144 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3jul s TYR 145 N -2.36 3.25 1.00 4.41 5.04 -0.94 -4.94 117.35 122.81 3jul s TYR 145 Ca 0.00 -1.38 -0.12 0.00 -2.44 0.00 0.00 57.07 53.14 3jul s TYR 145 Cb 0.00 -4.02 0.19 0.00 0.35 0.00 0.00 41.96 38.48 3jul s TYR 145 CO 0.00 -1.25 1.08 0.95 -1.34 0.00 0.00 175.55 174.99 3jul s THR 146 N 1.93 2.26 0.33 4.34 -4.23 -1.26 -4.76 115.64 114.25 3jul s THR 146 Ca 0.18 0.08 0.01 0.00 -1.18 0.00 0.00 61.69 60.79 3jul s THR 146 Cb -0.15 -2.30 0.27 0.00 1.34 0.00 0.00 72.50 71.65 3jul s THR 146 CO -0.02 -0.11 1.98 -0.07 -0.54 0.00 0.00 174.62 175.86 3jul h LEU 147 N -2.04 0.81 -0.24 4.79 3.38 -1.98 0.35 115.31 120.39 3jul h LEU 147 Ca -0.53 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.42 3jul h LEU 147 Cb 1.30 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3jul h LEU 147 CO 0.50 0.58 0.13 -1.28 0.09 0.00 0.00 178.44 178.46 3jul h SER 148 N 0.95 0.30 -0.59 -0.43 0.87 -2.00 0.99 113.55 113.64 3jul h SER 148 Ca 0.28 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 3jul h SER 148 Cb -0.05 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 3jul h SER 148 CO -0.07 0.29 0.35 0.44 -0.53 0.00 0.00 176.83 177.32 3jul h ASP 149 N 0.28 0.71 -0.82 6.23 3.32 -1.31 -2.23 116.42 122.61 3jul h ASP 149 Ca 0.08 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.09 3jul h ASP 149 Cb 0.06 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 3jul h ASP 149 CO -0.01 0.56 0.54 0.15 -1.72 0.00 0.00 179.24 178.76 3jul h PHE 150 N 0.80 1.01 0.07 4.55 3.57 0.10 -1.96 116.94 125.07 3jul h PHE 150 Ca 0.21 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.74 3jul h PHE 150 Cb -0.02 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.38 3jul h PHE 150 CO -0.02 0.62 -0.07 -0.22 -2.23 0.00 0.00 178.31 176.39 3jul h LYS 151 N 1.07 -0.15 -0.65 1.11 1.63 -0.21 -1.32 116.57 118.05 3jul h LYS 151 Ca 0.31 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 60.17 3jul h LYS 151 Cb -0.07 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.54 3jul h LYS 151 CO -0.08 -0.10 0.36 0.93 -3.45 0.00 0.00 179.45 177.12 3jul h GLU 152 N -0.15 0.65 0.16 1.90 5.08 -1.19 -0.87 114.58 120.17 3jul h GLU 152 Ca 0.00 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3jul h GLU 152 Cb 0.15 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3jul h GLU 152 CO -0.02 0.43 -0.40 1.25 -1.00 0.00 0.00 179.01 179.27 3jul h LEU 153 N 0.67 -1.16 -0.17 1.33 5.85 -0.85 0.23 115.31 121.21 3jul h LEU 153 Ca 0.29 0.13 0.01 0.00 0.84 0.00 0.00 57.88 59.15 3jul h LEU 153 Cb 0.17 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3jul h LEU 153 CO -0.18 -0.49 0.08 -0.07 -0.34 0.00 0.00 178.44 177.45 3jul h LEU 154 N -0.66 0.11 -1.02 2.25 4.07 -1.02 -2.15 115.31 116.90 3jul h LEU 154 Ca 0.01 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 3jul h LEU 154 Cb 0.67 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.37 3jul h LEU 154 CO -0.21 0.09 0.23 0.03 -1.08 0.00 0.00 178.44 177.51 3jul h ARG 155 N 0.17 0.94 -0.37 1.13 3.08 -1.00 0.64 114.38 118.97 3jul h ARG 155 Ca 0.07 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 3jul h ARG 155 Cb 0.02 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3jul h ARG 155 CO -0.06 0.78 0.08 1.15 -1.07 0.00 0.00 179.97 180.85 3jul h THR 156 N 0.92 1.18 -0.02 2.04 2.02 -0.28 0.12 112.91 118.89 3jul h THR 156 Ca 0.21 -0.64 -0.07 0.00 0.77 0.00 0.00 66.41 66.68 3jul h THR 156 Cb 0.21 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3jul h THR 156 CO -0.02 0.23 -0.27 0.58 0.37 0.00 0.00 175.52 176.42 3jul h VAL 157 N 0.54 1.51 -0.72 3.16 2.07 -0.63 -3.25 116.25 118.93 3jul h VAL 157 Ca 0.13 -1.87 0.08 0.00 0.82 0.00 0.00 66.70 65.86 3jul h VAL 157 Cb 0.23 2.64 -0.07 0.00 -1.52 0.00 0.00 31.29 32.57 3jul h VAL 157 CO -0.00 0.52 0.38 0.11 0.02 0.00 0.00 177.57 178.60 3jul h LYS 158 N -0.41 0.65 -0.39 1.57 1.57 -0.66 -0.76 116.57 118.13 3jul h LYS 158 Ca -0.03 -0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.83 3jul h LYS 158 Cb 0.99 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 3jul h LYS 158 CO 0.05 0.43 0.45 0.00 -0.57 0.00 0.00 179.45 179.81 3jul h ALA 159 N 1.41 2.08 -0.00 3.86 0.00 -0.80 0.32 119.26 126.13 3jul h ALA 159 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3jul h ALA 159 Cb 0.30 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3jul h ALA 159 CO -0.23 -0.65 -0.28 0.25 0.00 0.00 0.00 179.25 178.34 3jul n THR 160 N -3.66 0.00 -1.03 0.00 -2.24 -0.29 -4.95 114.28 102.10 3jul n THR 160 Ca 0.07 -0.04 -0.01 0.00 -2.27 0.00 0.00 64.05 61.79 3jul n THR 160 Cb 0.62 0.09 -0.00 0.00 -2.10 0.00 0.00 70.33 68.94 3jul n THR 160 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jul n GLY 161 N 1.41 0.49 3.90 3.38 0.00 0.11 -3.22 105.19 111.26 3jul n GLY 161 Ca 0.09 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 3jul n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jul s ALA 162 N -1.92 3.34 0.32 4.61 0.00 -1.26 -4.56 121.76 122.30 3jul s ALA 162 Ca 0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 51.96 51.20 3jul s ALA 162 Cb 0.00 -2.67 -0.11 0.00 0.00 0.00 0.00 23.12 20.35 3jul s ALA 162 CO 0.00 -0.49 1.45 0.12 0.00 0.00 0.00 175.76 176.85 3jul s PHE 163 N -2.86 2.82 -0.14 0.00 5.36 -0.79 -4.84 117.98 117.53 3jul s PHE 163 Ca 0.50 1.13 -0.01 0.00 -0.96 0.00 0.00 56.93 57.58 3jul s PHE 163 Cb -0.10 -3.91 0.04 0.00 -0.34 0.00 0.00 43.02 38.71 3jul s PHE 163 CO 0.46 -2.76 -0.01 -1.17 -1.46 0.00 0.00 175.22 170.28 3jul s LEU 164 N -1.36 1.17 0.09 6.12 2.96 -1.26 0.41 118.68 126.80 3jul s LEU 164 Ca 0.55 -0.53 0.06 0.00 -0.22 0.00 0.00 54.13 54.00 3jul s LEU 164 Cb -0.44 -0.68 -0.04 0.00 0.50 0.00 0.00 46.19 45.53 3jul s LEU 164 CO 0.54 -0.22 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.44 3jul s GLY 165 N 1.80 1.82 -0.04 7.98 0.00 -0.30 -0.46 107.32 118.12 3jul s GLY 165 Ca 0.02 -1.19 -0.00 0.00 0.00 0.00 0.00 44.72 43.54 3jul s GLY 165 CO -0.07 -1.16 0.00 0.00 0.00 0.00 0.00 173.10 171.87 3jul s ASP 167 N 1.45 5.16 0.03 0.00 2.15 -0.73 -4.03 116.67 120.69 3jul s ASP 167 Ca -0.04 -2.32 0.00 0.00 0.43 0.00 0.00 52.55 50.63 3jul s ASP 167 Cb -0.13 -1.81 -0.00 0.00 -0.30 0.00 0.00 42.92 40.68 3jul s ASP 167 CO -0.03 -0.47 0.02 0.59 -0.17 0.00 0.00 175.17 175.11 3jul n ASN 168 N 4.19 0.23 -3.06 -0.34 3.02 -1.26 -1.40 115.26 116.63 3jul n ASN 168 Ca 0.01 -1.16 -0.11 0.00 -0.03 0.00 0.00 54.58 53.29 3jul n ASN 168 Cb 0.40 0.11 -0.00 0.00 -0.61 0.00 0.00 39.78 39.67 3jul n ASN 168 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3jul s SER 169 N -1.17 0.41 0.96 6.41 1.04 -1.26 -4.66 113.70 115.43 3jul s SER 169 Ca 0.02 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.16 3jul s SER 169 Cb 0.00 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.89 3jul s SER 169 CO 0.02 -1.52 0.00 0.61 0.98 0.00 0.00 173.24 173.32 3jul n GLY 170 N -0.55 1.01 0.31 7.32 0.00 -1.26 -2.15 105.19 109.87 3jul n GLY 170 Ca -0.04 -0.65 0.19 0.00 0.00 0.00 0.00 46.02 45.52 3jul n GLY 170 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3jul h GLU 171 N 0.00 0.00 -0.38 1.61 4.39 -2.00 -2.27 114.58 115.93 3jul h GLU 171 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3jul h GLU 171 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3jul h GLU 171 CO 0.00 0.02 0.08 1.88 -1.16 0.00 0.00 179.01 179.83 3jul h TYR 172 N 0.00 0.66 -0.22 4.33 0.05 -1.85 0.25 116.97 120.19 3jul h TYR 172 Ca -0.00 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 3jul h TYR 172 Cb 0.12 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 3jul h TYR 172 CO 0.00 0.64 0.10 1.25 -1.05 0.00 0.00 178.16 179.10 3jul h LEU 173 N 0.48 0.30 -0.14 3.88 5.85 -1.06 0.19 115.31 124.81 3jul h LEU 173 Ca 0.12 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3jul h LEU 173 Cb 0.32 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 3jul h LEU 173 CO 0.00 0.36 -0.14 0.78 -0.34 0.00 0.00 178.44 179.10 3jul h ASN 174 N 0.22 -0.44 -0.74 1.25 2.35 -1.33 -0.48 115.58 116.41 3jul h ASN 174 Ca 0.08 0.09 0.10 0.00 -0.55 0.00 0.00 56.30 56.01 3jul h ASN 174 Cb 0.15 0.22 -0.08 0.00 0.05 0.00 0.00 38.32 38.65 3jul h ASN 174 CO -0.01 -0.19 0.36 0.25 -1.65 0.00 0.00 177.43 176.20 3jul h LEU 175 N -0.17 0.46 -0.50 1.61 5.85 -0.15 -0.13 115.31 122.27 3jul h LEU 175 Ca 0.09 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.93 3jul h LEU 175 Cb 0.31 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3jul h LEU 175 CO -0.24 0.25 0.25 0.00 -0.34 0.00 0.00 178.44 178.36 3jul h ALA 176 N 1.46 0.64 -0.07 1.25 0.00 0.83 -2.42 119.26 120.95 3jul h ALA 176 Ca 0.37 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3jul h ALA 176 Cb 0.43 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3jul h ALA 176 CO -0.29 -0.10 0.04 0.28 0.00 0.00 0.00 179.25 179.18 3jul h VAL 177 N 0.49 1.03 0.00 0.00 2.07 0.22 -1.17 116.25 118.88 3jul h VAL 177 Ca 0.22 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.67 3jul h VAL 177 Cb 0.14 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3jul h VAL 177 CO -0.16 0.03 0.00 -0.62 0.02 0.00 0.00 177.57 176.84 3jul n GLU 178 N -5.03 0.00 -2.69 1.57 1.02 -0.20 -4.51 120.64 110.80 3jul n GLU 178 Ca -0.06 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.03 3jul n GLU 178 Cb 0.04 -1.43 0.06 0.00 -0.02 0.00 0.00 31.44 30.09 3jul n GLU 178 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3jul n GLY 180 N 0.93 -1.31 3.95 0.62 0.00 -0.45 -5.10 105.19 103.82 3jul n GLY 180 Ca 0.00 0.86 -0.23 0.00 0.00 0.00 0.00 46.02 46.65 3jul n GLY 180 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jul s VAL 181 N 0.46 4.85 -0.21 1.61 -7.23 -1.20 -5.01 120.40 113.67 3jul s VAL 181 Ca 0.27 -0.57 0.20 0.00 -1.81 0.00 0.00 61.98 60.07 3jul s VAL 181 Cb 0.18 -3.76 0.21 0.00 0.56 0.00 0.00 36.38 33.57 3jul s VAL 181 CO -0.12 -0.46 1.59 0.44 -0.31 0.00 0.00 175.10 176.23 3jul h ASP 182 N 0.74 0.00 -4.58 4.85 3.32 -1.10 -3.40 116.42 116.24 3jul h ASP 182 Ca -0.49 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.42 3jul h ASP 182 Cb 1.23 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.56 3jul h ASP 182 CO 0.60 0.25 -0.41 0.12 -1.72 0.00 0.00 179.24 178.08 3jul s PHE 183 N -3.18 -0.13 -0.06 4.55 5.36 -1.05 -1.64 117.98 121.82 3jul s PHE 183 Ca 0.04 0.25 -0.31 0.00 -0.96 0.00 0.00 56.93 55.95 3jul s PHE 183 Cb 0.07 0.04 0.07 0.00 -0.34 0.00 0.00 43.02 42.86 3jul s PHE 183 CO 0.69 -0.26 0.70 0.96 -1.46 0.00 0.00 175.22 175.85 3jul s ILE 184 N -0.85 0.00 -0.53 3.12 -4.36 -1.24 -0.38 121.20 116.95 3jul s ILE 184 Ca -0.09 0.00 0.07 0.00 -0.26 0.00 0.00 60.65 60.36 3jul s ILE 184 Cb -0.05 -1.00 0.24 0.00 1.25 0.00 0.00 42.46 42.90 3jul s ILE 184 CO 0.02 0.00 0.63 1.17 0.24 0.00 0.00 174.94 176.99 3jul n LYS 185 N 0.91 1.66 -1.83 0.37 4.81 -1.26 -2.90 118.16 119.92 3jul n LYS 185 Ca -0.19 -4.02 -0.31 0.00 -0.87 0.00 0.00 58.31 52.93 3jul n LYS 185 Cb 0.57 -1.81 0.02 0.00 0.02 0.00 0.00 35.03 33.82 3jul n LYS 185 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3jul s PRO 186 N -1.80 3.45 0.64 1.64 0.04 -1.19 -4.75 135.00 133.03 3jul s PRO 186 Ca 0.37 0.83 -0.00 0.00 0.04 0.00 0.00 61.00 62.23 3jul s PRO 186 Cb 0.14 -2.06 0.08 0.00 0.04 0.00 0.00 34.50 32.70 3jul s PRO 186 CO -0.07 -0.69 0.90 0.54 0.04 0.00 0.00 177.00 177.72 3jul s ASN 187 N -3.97 4.80 0.16 6.66 2.20 -1.26 -1.32 114.94 122.20 3jul s ASN 187 Ca 0.56 -0.13 -0.27 0.00 -0.94 0.00 0.00 52.86 52.09 3jul s ASN 187 Cb -0.12 -0.50 -0.00 0.00 -2.00 0.00 0.00 41.25 38.63 3jul s ASN 187 CO 0.52 -1.52 1.57 -0.08 -2.94 0.00 0.00 177.10 174.65 3jul h GLU 188 N -0.27 -0.29 -0.59 3.55 4.81 -1.81 -2.08 114.58 117.90 3jul h GLU 188 Ca -0.40 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 3jul h GLU 188 Cb 1.29 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.70 3jul h GLU 188 CO 0.48 -0.19 0.37 -0.44 -0.73 0.00 0.00 179.01 178.49 3jul h ASP 189 N -0.30 0.69 -0.05 1.04 5.19 -1.94 -1.61 116.42 119.42 3jul h ASP 189 Ca 0.14 -0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.47 3jul h ASP 189 Cb 0.58 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 3jul h ASP 189 CO -0.61 0.51 -0.13 -0.33 -3.12 0.00 0.00 179.24 175.55 3jul h GLU 190 N 0.80 0.37 -0.18 3.56 5.08 -1.77 0.49 114.58 122.93 3jul h GLU 190 Ca 0.21 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3jul h GLU 190 Cb -0.06 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3jul h GLU 190 CO -0.04 0.51 0.05 0.28 -1.00 0.00 0.00 179.01 178.81 3jul h VAL 191 N 0.35 1.19 -0.68 3.13 2.07 -0.76 0.70 116.25 122.26 3jul h VAL 191 Ca 0.07 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 3jul h VAL 191 Cb 0.45 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3jul h VAL 191 CO 0.03 0.19 0.30 0.40 0.02 0.00 0.00 177.57 178.50 3jul h ILE 192 N 0.12 1.23 -0.13 4.57 2.04 -0.96 -2.83 117.51 121.55 3jul h ILE 192 Ca 0.06 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 3jul h ILE 192 Cb 0.24 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3jul h ILE 192 CO -0.00 0.28 0.00 0.00 0.00 0.00 0.00 178.15 178.43 3jul h ALA 193 N 1.36 0.18 -1.00 1.87 0.00 -0.55 0.55 119.26 121.67 3jul h ALA 193 Ca 0.23 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.10 3jul h ALA 193 Cb 0.14 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.79 3jul h ALA 193 CO -0.03 -0.13 0.62 0.82 0.00 0.00 0.00 179.25 180.54 3jul h ILE 194 N -0.03 0.86 0.00 0.00 2.04 -0.69 -2.19 117.51 117.50 3jul h ILE 194 Ca 0.04 -0.32 -0.14 0.00 1.00 0.00 0.00 64.86 65.43 3jul h ILE 194 Cb 0.35 -0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 3jul h ILE 194 CO 0.01 0.17 -1.57 0.18 0.00 0.00 0.00 178.15 176.94 3jul n LEU 195 N -4.66 0.62 -3.61 1.44 4.77 -1.08 -4.97 117.00 109.51 3jul n LEU 195 Ca 0.20 0.27 -0.22 0.00 -0.03 0.00 0.00 56.01 56.23 3jul n LEU 195 Cb 0.41 0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.67 3jul n LEU 195 CO 0.26 0.12 0.09 -0.67 -1.33 0.00 0.00 177.39 175.86 3jul n ASP 196 N -2.75 -3.15 -4.09 -1.43 2.03 0.19 -4.99 116.55 102.36 3jul n ASP 196 Ca -0.10 -0.68 -0.28 0.00 0.52 0.00 0.00 54.79 54.25 3jul n ASP 196 Cb 0.80 -4.65 -0.17 0.00 -0.72 0.00 0.00 41.12 36.38 3jul n ASP 196 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3jul s GLU 197 N -5.91 2.24 0.00 -0.67 -6.30 -1.14 -5.03 118.70 101.89 3jul s GLU 197 Ca 0.22 -0.59 0.00 0.00 -2.50 0.00 0.00 54.97 52.10 3jul s GLU 197 Cb -0.10 -1.79 0.00 0.00 0.00 0.00 0.00 34.13 32.23 3jul s GLU 197 CO 0.77 0.05 0.75 1.63 0.02 0.00 0.00 175.26 178.48 3jul n LYS 198 N 3.81 1.58 -0.00 4.30 5.02 -1.26 -4.78 118.16 126.83 3jul n LYS 198 Ca -0.21 -1.03 0.05 0.00 -2.02 0.00 0.00 58.31 55.11 3jul n LYS 198 Cb 0.52 -0.81 -0.07 0.00 -0.02 0.00 0.00 35.03 34.64 3jul n LYS 198 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3jul n THR 199 N -0.28 0.00 -3.26 -0.18 -2.24 -1.26 -5.00 114.28 102.06 3jul n THR 199 Ca 0.00 -0.25 -0.24 0.00 -2.27 0.00 0.00 64.05 61.29 3jul n THR 199 Cb 0.31 0.64 -0.01 0.00 -2.10 0.00 0.00 70.33 69.18 3jul n THR 199 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3jul s ASN 200 N -2.64 6.24 0.78 3.42 0.01 -1.26 -5.07 114.94 116.41 3jul s ASN 200 Ca 0.00 0.49 -0.12 0.00 -0.71 0.00 0.00 52.86 52.52 3jul s ASN 200 Cb 0.08 -2.00 0.06 0.00 0.41 0.00 0.00 41.25 39.80 3jul s ASN 200 CO 0.46 -0.37 1.12 -0.94 -1.51 0.00 0.00 177.10 175.86 3jul s SER 201 N -4.06 4.25 0.25 -1.22 1.04 -1.26 -4.84 113.70 107.86 3jul s SER 201 Ca 0.42 1.99 -0.06 0.00 0.48 0.00 0.00 55.95 58.78 3jul s SER 201 Cb -0.10 -2.54 0.27 0.00 0.10 0.00 0.00 66.02 63.75 3jul s SER 201 CO 0.37 -2.21 1.91 0.25 0.98 0.00 0.00 173.24 174.54 3jul h LEU 202 N -0.97 1.12 -0.42 2.42 5.85 -1.99 -1.68 115.31 119.64 3jul h LEU 202 Ca -0.44 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.31 3jul h LEU 202 Cb 1.25 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.91 3jul h LEU 202 CO 0.50 0.84 -0.18 -0.08 -0.34 0.00 0.00 178.44 179.18 3jul h GLU 203 N 1.30 -0.09 -0.71 1.25 4.81 -1.99 0.14 114.58 119.30 3jul h GLU 203 Ca 0.34 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.53 3jul h GLU 203 Cb -0.09 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3jul h GLU 203 CO -0.07 -0.06 0.24 1.49 -0.73 0.00 0.00 179.01 179.89 3jul h GLU 204 N -0.09 1.08 -0.61 1.92 4.57 -1.79 0.77 114.58 120.42 3jul h GLU 204 Ca 0.21 -0.21 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 3jul h GLU 204 Cb 0.41 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.79 3jul h GLU 204 CO -0.48 0.90 0.39 -0.91 -1.18 0.00 0.00 179.01 177.72 3jul h ASN 205 N 1.04 0.64 -0.04 1.04 -0.26 -0.18 -0.21 115.58 117.62 3jul h ASN 205 Ca 0.23 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.96 3jul h ASN 205 Cb 0.26 -0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 37.37 3jul h ASN 205 CO -0.01 0.45 -0.02 0.40 -1.06 0.00 0.00 177.43 177.20 3jul h ILE 206 N 0.77 1.31 -0.72 2.81 2.04 -0.22 -0.03 117.51 123.48 3jul h ILE 206 Ca 0.24 -0.97 0.05 0.00 1.00 0.00 0.00 64.86 65.18 3jul h ILE 206 Cb -0.02 1.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.89 3jul h ILE 206 CO -0.08 0.26 0.43 0.03 0.00 0.00 0.00 178.15 178.79 3jul h ARG 207 N -0.30 0.78 -0.02 2.37 3.08 -0.74 0.34 114.38 119.89 3jul h ARG 207 Ca 0.01 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.03 3jul h ARG 207 Cb 0.43 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3jul h ARG 207 CO 0.01 0.51 -0.09 1.15 -1.07 0.00 0.00 179.97 180.48 3jul h THR 208 N 0.80 0.77 0.00 2.04 2.02 -0.97 -2.05 112.91 115.52 3jul h THR 208 Ca 0.31 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.46 3jul h THR 208 Cb 0.14 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3jul h THR 208 CO -0.16 0.00 -0.16 0.25 0.37 0.00 0.00 175.52 175.82 3jul h LEU 209 N -0.14 0.00 -2.14 2.58 5.85 -0.03 -2.03 115.31 119.40 3jul h LEU 209 Ca 0.04 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3jul h LEU 209 Cb 0.20 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 3jul h LEU 209 CO -0.11 0.16 -0.04 0.00 -0.34 0.00 0.00 178.44 178.11 3jul h ALA 210 N 1.84 1.09 0.00 1.25 0.00 0.39 -1.92 119.26 121.92 3jul h ALA 210 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3jul h ALA 210 Cb 0.39 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3jul h ALA 210 CO 0.02 0.05 -0.03 0.93 0.00 0.00 0.00 179.25 180.22 3jul h GLU 211 N 0.00 0.00 0.00 0.00 4.39 -1.32 -3.18 114.58 114.47 3jul h GLU 211 Ca -0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 3jul h GLU 211 Cb 0.28 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 3jul h GLU 211 CO 0.00 0.03 -1.90 1.63 -1.16 0.00 0.00 179.01 177.62 3jul n LYS 212 N -3.36 0.71 -3.67 2.33 5.02 -0.76 -4.93 118.16 113.50 3jul n LYS 212 Ca -0.02 0.07 -0.38 0.00 -2.02 0.00 0.00 58.31 55.96 3jul n LYS 212 Cb 0.15 -1.32 -0.12 0.00 -0.02 0.00 0.00 35.03 33.72 3jul n LYS 212 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3jul s ILE 213 N -2.31 4.74 -0.23 -0.18 1.09 -0.95 -4.69 121.20 118.66 3jul s ILE 213 Ca -0.18 -0.13 0.28 0.00 -1.10 0.00 0.00 60.65 59.51 3jul s ILE 213 Cb 0.05 -3.29 0.36 0.00 -1.06 0.00 0.00 42.46 38.52 3jul s ILE 213 CO 0.40 0.23 1.77 1.55 -0.10 0.00 0.00 174.94 178.78 3jul h PRO 214 N 8.32 0.00 -2.38 2.79 0.13 -1.74 -3.36 132.00 135.76 3jul h PRO 214 Ca -0.35 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.18 3jul h PRO 214 Cb 1.17 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.89 3jul h PRO 214 CO 0.58 0.00 -0.77 0.66 -0.23 0.00 0.00 178.00 178.24 3jul n TYR 215 N -3.06 1.89 -3.25 1.56 4.01 -0.65 -4.26 117.16 113.41 3jul n TYR 215 Ca 0.03 -3.92 -0.39 0.00 -0.16 0.00 0.00 57.90 53.45 3jul n TYR 215 Cb 0.43 -0.40 -0.06 0.00 -0.31 0.00 0.00 39.34 39.00 3jul n TYR 215 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3jul s LEU 216 N -1.54 4.18 -0.12 7.72 2.96 -0.99 -3.73 118.68 127.17 3jul s LEU 216 Ca 0.34 0.74 -0.01 0.00 -0.22 0.00 0.00 54.13 54.98 3jul s LEU 216 Cb 0.09 -2.73 0.03 0.00 0.50 0.00 0.00 46.19 44.08 3jul s LEU 216 CO -0.10 -0.14 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.03 3jul s VAL 217 N 1.40 0.97 -0.20 1.68 1.01 -1.14 0.12 120.40 124.24 3jul s VAL 217 Ca 0.25 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 3jul s VAL 217 Cb -0.15 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 3jul s VAL 217 CO 0.10 0.31 -0.01 -0.69 0.00 0.00 0.00 175.10 174.81 3jul s VAL 218 N 1.73 3.82 0.06 2.92 1.01 0.70 -3.16 120.40 127.48 3jul s VAL 218 Ca 0.04 -0.36 -0.24 0.00 0.00 0.00 0.00 61.98 61.42 3jul s VAL 218 Cb -0.13 -2.72 -0.06 0.00 0.00 0.00 0.00 36.38 33.47 3jul s VAL 218 CO -0.08 0.43 0.73 -0.94 0.00 0.00 0.00 175.10 175.25 3jul s SER 219 N 1.04 7.20 -0.24 3.32 1.04 -0.44 -1.16 113.70 124.46 3jul s SER 219 Ca 0.02 1.43 0.11 0.00 0.48 0.00 0.00 55.95 57.99 3jul s SER 219 Cb -0.14 -2.45 0.46 0.00 0.10 0.00 0.00 66.02 63.98 3jul s SER 219 CO 0.01 0.08 1.35 0.18 0.98 0.00 0.00 173.24 175.84 3jul n LEU 220 N 2.51 3.45 0.00 2.42 4.77 -0.41 -2.22 117.00 127.53 3jul n LEU 220 Ca -0.04 -3.74 0.00 0.00 -0.03 0.00 0.00 56.01 52.20 3jul n LEU 220 Cb 0.50 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3jul n LEU 220 CO 0.46 1.25 0.00 0.61 -1.33 0.00 0.00 177.39 178.38 3jul n GLY 221 N -1.11 2.12 0.35 -0.72 0.00 -1.25 -3.04 105.19 101.54 3jul n GLY 221 Ca 0.26 -0.49 0.07 0.00 0.00 0.00 0.00 46.02 45.87 3jul n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jul h ALA 222 N -0.61 1.76 -0.01 4.61 0.00 -2.03 -2.14 119.26 120.84 3jul h ALA 222 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3jul h ALA 222 Cb 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3jul h ALA 222 CO 0.00 0.13 0.07 0.87 0.00 0.00 0.00 179.25 180.31 3jul h LYS 223 N 0.67 0.00 0.00 0.00 1.57 -1.95 -3.46 116.57 113.40 3jul h LYS 223 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3jul h LYS 223 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3jul h LYS 223 CO -0.09 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.20 3jul n GLY 224 N -1.14 0.25 3.54 3.86 0.00 -0.81 -4.67 105.19 106.23 3jul n GLY 224 Ca -0.03 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.31 3jul n GLY 224 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jul s SER 225 N -4.00 -0.11 -0.09 1.61 0.01 0.05 -1.28 113.70 109.89 3jul s SER 225 Ca 0.00 -0.81 -0.00 0.00 1.31 0.00 0.00 55.95 56.44 3jul s SER 225 Cb 0.00 0.57 0.02 0.00 0.21 0.00 0.00 66.02 66.82 3jul s SER 225 CO 0.00 -1.09 -0.05 -0.63 0.41 0.00 0.00 173.24 171.88 3jul s ILE 226 N -3.98 0.75 -0.06 1.44 1.01 -0.31 0.59 121.20 120.64 3jul s ILE 226 Ca 0.18 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.75 3jul s ILE 226 Cb -0.00 -0.81 -0.01 0.00 0.01 0.00 0.00 42.46 41.65 3jul s ILE 226 CO 0.05 0.31 -0.21 0.00 0.00 0.00 0.00 174.94 175.09 3jul s ALA 228 N -0.22 2.90 -0.29 0.00 0.00 0.12 -0.56 121.76 123.71 3jul s ALA 228 Ca -0.01 -0.94 -0.22 0.00 0.00 0.00 0.00 51.96 50.80 3jul s ALA 228 Cb -0.13 -1.14 0.15 0.00 0.00 0.00 0.00 23.12 21.99 3jul s ALA 228 CO 0.03 0.57 1.11 -1.58 0.00 0.00 0.00 175.76 175.90 3jul s HIS 229 N -0.82 -0.39 -1.29 0.00 5.04 -0.16 -2.35 115.29 115.31 3jul s HIS 229 Ca 0.13 0.88 -0.05 0.00 -1.54 0.00 0.00 55.06 54.48 3jul s HIS 229 Cb -0.11 0.35 0.03 0.00 0.04 0.00 0.00 32.58 32.90 3jul s HIS 229 CO 0.02 -0.19 0.32 -1.71 -2.34 0.00 0.00 174.74 170.84 3jul n ASN 230 N 2.61 -4.42 0.00 9.88 2.85 -1.26 -0.55 115.26 124.37 3jul n ASN 230 Ca -0.14 -0.15 0.00 0.00 -0.11 0.00 0.00 54.58 54.18 3jul n ASN 230 Cb 0.57 -3.67 0.00 0.00 1.24 0.00 0.00 39.78 37.92 3jul n ASN 230 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3jul n GLY 231 N -1.12 1.45 3.87 8.20 0.00 -1.26 -5.04 105.19 111.29 3jul n GLY 231 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 3jul n GLY 231 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jul s LYS 232 N -0.47 3.11 -0.08 1.61 1.02 0.29 -5.12 119.74 120.10 3jul s LYS 232 Ca 0.00 -0.86 0.02 0.00 0.02 0.00 0.00 55.97 55.15 3jul s LYS 232 Cb 0.00 -2.72 0.01 0.00 -0.52 0.00 0.00 37.83 34.60 3jul s LYS 232 CO 0.00 0.45 -0.13 -1.17 -0.92 0.00 0.00 175.35 173.59 3jul s LEU 233 N -3.54 1.62 -0.04 3.17 2.96 -1.26 -0.99 118.68 120.60 3jul s LEU 233 Ca 0.33 -0.33 0.05 0.00 -0.22 0.00 0.00 54.13 53.97 3jul s LEU 233 Cb -0.09 -0.89 -0.01 0.00 0.50 0.00 0.00 46.19 45.70 3jul s LEU 233 CO 0.26 0.02 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.79 3jul s TYR 234 N 0.81 1.97 -0.34 5.38 2.02 0.27 0.38 117.35 127.85 3jul s TYR 234 Ca -0.12 -0.52 -0.16 0.00 -0.37 0.00 0.00 57.07 55.90 3jul s TYR 234 Cb -0.15 -1.30 -0.01 0.00 -0.40 0.00 0.00 41.96 40.09 3jul s TYR 234 CO 0.02 -0.15 0.39 -1.14 -1.57 0.00 0.00 175.55 173.10 3jul s GLN 235 N -0.16 3.59 -0.30 -0.62 0.74 0.50 -1.17 119.66 122.23 3jul s GLN 235 Ca -0.01 -0.35 -0.11 0.00 0.05 0.00 0.00 55.36 54.94 3jul s GLN 235 Cb -0.11 -3.80 -0.03 0.00 1.10 0.00 0.00 33.01 30.17 3jul s GLN 235 CO 0.02 -0.54 0.19 0.08 -0.55 0.00 0.00 175.29 174.49 3jul s VAL 236 N 2.09 5.08 -0.19 1.34 1.01 0.20 -1.36 120.40 128.56 3jul s VAL 236 Ca 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 3jul s VAL 236 Cb -0.16 -3.51 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 3jul s VAL 236 CO 0.12 0.13 -0.09 -0.63 0.00 0.00 0.00 175.10 174.63 3jul s ILE 237 N 1.71 3.03 0.55 2.22 1.09 -0.38 -0.77 121.20 128.65 3jul s ILE 237 Ca 0.06 -0.62 -0.15 0.00 -1.10 0.00 0.00 60.65 58.84 3jul s ILE 237 Cb -0.17 -2.34 -0.06 0.00 -1.06 0.00 0.00 42.46 38.83 3jul s ILE 237 CO 0.09 0.47 1.00 -2.16 -0.10 0.00 0.00 174.94 174.25 3jul s PRO 238 N 1.18 3.79 0.42 2.79 0.04 -1.26 -1.53 135.00 140.43 3jul s PRO 238 Ca 0.02 0.90 0.11 0.00 0.04 0.00 0.00 61.00 62.07 3jul s PRO 238 Cb -0.14 -2.11 0.89 0.00 0.04 0.00 0.00 34.50 33.17 3jul s PRO 238 CO -0.03 -0.40 1.97 -1.00 0.04 0.00 0.00 177.00 177.57 3jul h PRO 239 N 0.47 0.19 -7.01 0.56 0.13 -1.90 -3.48 132.00 120.96 3jul h PRO 239 Ca -0.46 -0.03 -0.47 0.00 -0.87 0.00 0.00 66.00 64.17 3jul h PRO 239 Cb 1.19 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.30 3jul h PRO 239 CO 0.61 0.29 0.39 0.99 -0.23 0.00 0.00 178.00 180.06 3jul s THR 247 N -4.81 3.86 0.00 1.56 2.01 -1.26 -5.12 115.64 111.89 3jul s THR 247 Ca -0.05 1.30 0.00 0.00 0.31 0.00 0.00 61.69 63.25 3jul s THR 247 Cb 0.16 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 69.06 3jul s THR 247 CO 0.72 -0.11 0.00 0.61 -0.69 0.00 0.00 174.62 175.14 3jul n GLY 248 N 0.02 2.71 0.25 4.40 0.00 -1.26 -4.80 105.19 106.51 3jul n GLY 248 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 3jul n GLY 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jul h ALA 249 N 0.00 1.17 -0.18 4.61 0.00 -1.96 -1.03 119.26 121.86 3jul h ALA 249 Ca 0.00 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 3jul h ALA 249 Cb 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3jul h ALA 249 CO 0.00 0.53 -0.60 0.78 0.00 0.00 0.00 179.25 179.96 3jul h GLY 250 N 0.96 0.67 1.04 0.00 0.00 -1.92 -1.57 103.07 102.24 3jul h GLY 250 Ca 0.08 -0.81 -0.10 0.00 0.00 0.00 0.00 47.33 46.49 3jul h GLY 250 CO 0.04 0.73 -0.12 -0.55 0.00 0.00 0.00 176.54 176.63 3jul h ASP 251 N 0.45 0.90 -0.33 0.19 3.32 -1.85 -1.62 116.42 117.48 3jul h ASP 251 Ca -0.00 -0.37 -0.08 0.00 0.02 0.00 0.00 57.03 56.60 3jul h ASP 251 Cb 1.16 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 3jul h ASP 251 CO 0.12 1.06 -0.06 0.58 -1.72 0.00 0.00 179.24 179.21 3jul h VAL 252 N 0.73 1.25 -0.13 -1.35 2.07 -1.16 0.09 116.25 117.75 3jul h VAL 252 Ca 0.11 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 3jul h VAL 252 Cb 0.67 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3jul h VAL 252 CO 0.05 0.37 0.07 0.15 0.02 0.00 0.00 177.57 178.23 3jul h PHE 253 N 0.68 0.17 0.32 1.57 3.57 -0.97 0.40 116.94 122.67 3jul h PHE 253 Ca 0.12 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 3jul h PHE 253 Cb 0.51 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 3jul h PHE 253 CO 0.02 0.16 -0.32 0.28 -2.23 0.00 0.00 178.31 176.23 3jul h VAL 254 N 0.13 0.34 -0.48 1.41 2.07 -1.02 0.32 116.25 119.02 3jul h VAL 254 Ca 0.05 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.66 3jul h VAL 254 Cb 0.04 0.34 -0.09 0.00 -1.52 0.00 0.00 31.29 30.07 3jul h VAL 254 CO -0.01 0.00 -0.07 1.23 0.02 0.00 0.00 177.57 178.74 3jul h GLY 255 N -0.67 0.41 0.95 2.17 0.00 -0.67 0.17 103.07 105.43 3jul h GLY 255 Ca -0.02 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 3jul h GLY 255 CO -0.06 -0.16 0.16 0.00 0.00 0.00 0.00 176.54 176.48 3jul h ALA 256 N 1.46 0.41 -0.11 3.60 0.00 0.18 -1.33 119.26 123.46 3jul h ALA 256 Ca 0.24 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3jul h ALA 256 Cb 0.36 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3jul h ALA 256 CO -0.45 -0.04 -0.06 0.35 0.00 0.00 0.00 179.25 179.04 3jul h PHE 257 N 0.39 -0.14 -0.76 0.00 3.57 0.42 -0.58 116.94 119.83 3jul h PHE 257 Ca 0.11 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.67 3jul h PHE 257 Cb 0.09 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 3jul h PHE 257 CO -0.02 -0.10 0.46 0.82 -2.23 0.00 0.00 178.31 177.24 3jul h ILE 258 N -0.06 1.04 -0.24 1.41 1.08 -0.54 -1.73 117.51 118.48 3jul h ILE 258 Ca 0.07 -0.30 0.04 0.00 -0.39 0.00 0.00 64.86 64.28 3jul h ILE 258 Cb 0.15 0.10 -0.04 0.00 -3.07 0.00 0.00 36.82 33.97 3jul h ILE 258 CO -0.15 0.16 -0.01 0.00 -0.69 0.00 0.00 178.15 177.46 3jul h ALA 259 N 1.36 0.20 -0.26 1.87 0.00 -0.45 0.16 119.26 122.14 3jul h ALA 259 Ca 0.32 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.36 3jul h ALA 259 Cb 0.12 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3jul h ALA 259 CO -0.15 -0.43 -0.10 0.78 0.00 0.00 0.00 179.25 179.35 3jul h GLY 260 N 0.06 0.14 1.06 0.00 0.00 -0.41 -1.20 103.07 102.71 3jul h GLY 260 Ca 0.11 0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 3jul h GLY 260 CO -0.20 -0.12 0.58 1.41 0.00 0.00 0.00 176.54 178.21 3jul h LEU 261 N -0.05 1.10 -1.61 3.11 4.07 -0.94 0.10 115.31 121.08 3jul h LEU 261 Ca 0.13 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.04 3jul h LEU 261 Cb 0.25 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.71 3jul h LEU 261 CO -0.29 0.82 0.00 0.00 -1.08 0.00 0.00 178.44 177.89 3jul n ALA 262 N -2.40 1.50 -3.15 1.53 0.00 0.54 -5.11 120.51 113.42 3jul n ALA 262 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.59 3jul n ALA 262 Cb 0.04 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 3jul n ALA 262 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3jul s ASN 264 N 0.29 -0.73 0.36 0.00 2.47 0.02 -5.08 114.94 112.27 3jul s ASN 264 Ca 0.00 0.43 -0.25 0.00 0.42 0.00 0.00 52.86 53.46 3jul s ASN 264 Cb 0.00 1.60 -0.10 0.00 -1.45 0.00 0.00 41.25 41.30 3jul s ASN 264 CO 0.00 -0.14 0.97 -2.84 -3.72 0.00 0.00 177.10 171.37 3jul s PRO 266 N 2.93 4.42 0.12 0.43 0.02 -1.26 -5.16 135.00 136.49 3jul s PRO 266 Ca 0.06 1.32 -0.17 0.00 0.02 0.00 0.00 61.00 62.24 3jul s PRO 266 Cb -0.11 -2.61 -0.03 0.00 0.02 0.00 0.00 34.50 31.77 3jul s PRO 266 CO -0.15 0.12 1.64 0.97 -0.33 0.00 0.00 177.00 179.26 3jul h ILE 267 N 2.37 1.20 -0.89 2.83 6.09 -1.98 0.22 117.51 127.35 3jul h ILE 267 Ca -0.48 -0.66 0.05 0.00 -1.37 0.00 0.00 64.86 62.41 3jul h ILE 267 Cb 1.19 0.98 -0.05 0.00 0.47 0.00 0.00 36.82 39.41 3jul h ILE 267 CO 0.64 0.23 0.58 0.71 -3.07 0.00 0.00 178.15 177.24 3jul h THR 268 N 0.41 1.11 -0.25 2.19 1.35 -2.03 0.60 112.91 116.28 3jul h THR 268 Ca 0.11 -0.36 -0.06 0.00 -0.55 0.00 0.00 66.41 65.55 3jul h THR 268 Cb 0.24 -0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.60 3jul h THR 268 CO -0.00 0.19 -0.08 -0.08 -0.25 0.00 0.00 175.52 175.30 3jul h GLU 269 N 1.06 0.50 -0.90 4.72 4.81 -1.89 -1.91 114.58 120.97 3jul h GLU 269 Ca 0.37 -0.20 0.08 0.00 -0.13 0.00 0.00 59.36 59.48 3jul h GLU 269 Cb 0.11 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.40 3jul h GLU 269 CO -0.13 0.73 0.56 1.15 -0.73 0.00 0.00 179.01 180.59 3jul h THR 270 N 0.23 0.99 -0.43 0.32 2.02 0.49 -0.59 112.91 115.94 3jul h THR 270 Ca 0.06 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 3jul h THR 270 Cb 0.56 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 3jul h THR 270 CO 0.03 0.18 0.04 -0.07 0.37 0.00 0.00 175.52 176.07 3jul h LEU 271 N 0.96 0.63 -0.46 2.58 3.38 -0.65 0.67 115.31 122.42 3jul h LEU 271 Ca 0.42 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 58.10 3jul h LEU 271 Cb 0.29 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3jul h LEU 271 CO -0.21 0.67 -0.49 0.11 0.09 0.00 0.00 178.44 178.61 3jul h LYS 272 N 0.64 0.73 0.08 1.13 1.57 -0.34 -1.33 116.57 119.05 3jul h LYS 272 Ca 0.14 -0.43 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3jul h LYS 272 Cb 0.34 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3jul h LYS 272 CO 0.01 1.05 -0.04 0.28 -0.57 0.00 0.00 179.45 180.18 3jul h VAL 273 N 0.58 1.16 -0.35 0.50 2.07 -0.90 -0.29 116.25 119.02 3jul h VAL 273 Ca 0.03 -0.97 0.08 0.00 0.82 0.00 0.00 66.70 66.66 3jul h VAL 273 Cb 1.05 1.77 -0.08 0.00 -1.52 0.00 0.00 31.29 32.52 3jul h VAL 273 CO 0.10 0.23 -0.20 0.00 0.02 0.00 0.00 177.57 177.73 3jul h ALA 274 N 0.29 0.05 -0.08 1.67 0.00 -0.89 -0.62 119.26 119.69 3jul h ALA 274 Ca -0.01 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3jul h ALA 274 Cb 0.47 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3jul h ALA 274 CO 0.02 -0.58 -0.17 1.15 0.00 0.00 0.00 179.25 179.67 3jul h THR 275 N -0.15 1.16 -0.26 0.00 2.02 -1.23 -1.43 112.91 113.03 3jul h THR 275 Ca 0.18 -0.75 -0.16 0.00 0.77 0.00 0.00 66.41 66.45 3jul h THR 275 Cb 0.42 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 3jul h THR 275 CO -0.44 0.22 -0.49 1.23 0.37 0.00 0.00 175.52 176.41 3jul h GLY 276 N 0.68 0.77 1.44 2.16 0.00 0.25 -2.34 103.07 106.04 3jul h GLY 276 Ca 0.02 -0.85 -0.18 0.00 0.00 0.00 0.00 47.33 46.31 3jul h GLY 276 CO 0.02 0.77 -0.67 0.00 0.00 0.00 0.00 176.54 176.67 3jul h SER 278 N 0.41 0.72 0.34 0.00 0.87 -1.25 -2.63 113.55 112.01 3jul h SER 278 Ca -0.02 -0.31 -0.09 0.00 -1.23 0.00 0.00 61.79 60.14 3jul h SER 278 Cb 1.24 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.00 3jul h SER 278 CO 0.12 0.85 -0.40 0.00 -0.53 0.00 0.00 176.83 176.87 3jul h ALA 279 N 0.89 1.24 0.00 6.23 0.00 -1.41 -2.67 119.26 123.54 3jul h ALA 279 Ca 0.12 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3jul h ALA 279 Cb 0.48 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3jul h ALA 279 CO 0.02 0.54 -0.05 1.03 0.00 0.00 0.00 179.25 180.80 3jul h SER 280 N 0.08 0.00 0.15 0.00 0.87 -0.88 -2.83 113.55 110.94 3jul h SER 280 Ca 0.01 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.22 3jul h SER 280 Cb 0.75 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.71 3jul h SER 280 CO 0.06 0.05 -1.82 0.11 -0.53 0.00 0.00 176.83 174.69 3jul h LYS 281 N 0.00 0.31 -1.99 2.24 1.57 -1.36 -3.11 116.57 114.23 3jul h LYS 281 Ca -0.00 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 3jul h LYS 281 Cb 0.10 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3jul h LYS 281 CO 0.01 1.26 0.00 0.28 -0.57 0.00 0.00 179.45 180.42 3jul n VAL 282 N -3.60 0.18 -0.11 0.50 0.31 -1.07 -4.53 118.33 110.01 3jul n VAL 282 Ca -0.28 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 3jul n VAL 282 Cb 1.04 -1.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 3jul n VAL 282 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3jul n GLN 284 N 1.88 0.00 -0.38 5.55 -0.06 -1.18 -5.07 117.38 118.12 3jul n GLN 284 Ca 0.00 0.00 0.34 0.00 -2.00 0.00 0.00 57.00 55.34 3jul n GLN 284 Cb 0.05 -0.08 0.59 0.00 -4.06 0.00 0.00 30.24 26.73 3jul n GLN 284 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3jul n GLN 285 N -0.43 -0.04 -4.18 3.69 10.64 -1.26 -5.08 117.38 120.72 3jul n GLN 285 Ca 0.00 1.16 -0.11 0.00 -1.83 0.00 0.00 57.00 56.22 3jul n GLN 285 Cb 0.00 -2.23 -0.10 0.00 -0.86 0.00 0.00 30.24 27.05 3jul n GLN 285 CO 0.00 0.00 0.00 -0.59 -1.83 0.00 0.00 177.06 174.64 3jul s PHE 290 N -5.17 0.95 -0.37 2.61 -0.00 -1.26 -5.05 117.98 109.69 3jul s PHE 290 Ca -0.07 -0.88 -0.14 0.00 -0.00 0.00 0.00 56.93 55.84 3jul s PHE 290 Cb 0.29 -0.54 0.00 0.00 -0.00 0.00 0.00 43.02 42.77 3jul s PHE 290 CO 0.73 -0.11 0.27 0.34 -0.00 0.00 0.00 175.22 176.44 3jul s ASP 291 N -3.05 6.07 0.16 1.98 3.68 -1.26 -4.97 116.67 119.28 3jul s ASP 291 Ca 0.12 -0.65 -0.17 0.00 2.13 0.00 0.00 52.55 53.99 3jul s ASP 291 Cb 0.05 -2.15 0.08 0.00 -1.45 0.00 0.00 42.92 39.45 3jul s ASP 291 CO -0.04 -0.33 1.69 0.25 0.13 0.00 0.00 175.17 176.87 3jul h LEU 292 N 8.55 -0.20 -0.52 -1.34 5.85 -1.98 0.28 115.31 125.95 3jul h LEU 292 Ca -0.29 0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.61 3jul h LEU 292 Cb 1.14 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 42.27 3jul h LEU 292 CO 0.68 -0.06 0.11 -0.08 -0.34 0.00 0.00 178.44 178.74 3jul h GLU 293 N 0.07 0.24 -0.32 1.25 4.22 -1.99 0.06 114.58 118.11 3jul h GLU 293 Ca 0.17 -0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.56 3jul h GLU 293 Cb 0.25 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3jul h GLU 293 CO -0.32 0.16 0.04 0.00 -2.18 0.00 0.00 179.01 176.71 3jul h ALA 294 N 1.40 1.48 0.00 2.92 0.00 -1.61 -2.19 119.26 121.26 3jul h ALA 294 Ca 0.26 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3jul h ALA 294 Cb 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3jul h ALA 294 CO -0.33 0.38 -0.46 0.00 0.00 0.00 0.00 179.25 178.83 3jul h ALA 295 N 1.59 1.22 0.00 0.00 0.00 0.13 -3.09 119.26 119.11 3jul h ALA 295 Ca 0.10 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 3jul h ALA 295 Cb 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3jul h ALA 295 CO 0.00 0.58 -0.21 0.78 0.00 0.00 0.00 179.25 180.40 3jul h GLY 296 N 1.43 0.00 2.00 0.00 0.00 -0.52 -2.34 103.07 103.64 3jul h GLY 296 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3jul h GLY 296 CO 0.06 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.10 3jul h LYS 297 N 0.00 0.00 0.00 4.80 1.79 -1.58 -3.08 116.57 118.50 3jul h LYS 297 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3jul h LYS 297 Cb 0.41 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 3jul h LYS 297 CO 0.03 0.00 -1.10 1.28 -1.08 0.00 0.00 179.45 178.58 3jul n LEU 298 N -3.01 0.59 -0.07 2.94 4.77 -0.90 -4.43 117.00 116.91 3jul n LEU 298 Ca 0.02 0.03 -0.07 0.00 -0.03 0.00 0.00 56.01 55.95 3jul n LEU 298 Cb 0.37 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.36 3jul n LEU 298 CO 0.29 0.01 0.76 0.50 -1.33 0.00 0.00 177.39 177.62 3jul h LYS 299 N 0.00 -0.11 -0.65 3.23 3.64 -1.42 -1.77 116.57 119.50 3jul h LYS 299 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3jul h LYS 299 Cb 0.78 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 3jul h LYS 299 CO 0.00 -0.07 0.00 0.09 -2.27 0.00 0.00 179.45 177.20 3jul n ASN 300 N -5.31 1.99 -0.31 4.20 5.03 -1.26 -2.61 115.26 116.99 3jul n ASN 300 Ca -0.00 -2.18 0.06 0.00 0.87 0.00 0.00 54.58 53.33 3jul n ASN 300 Cb 0.23 -0.41 0.00 0.00 -1.02 0.00 0.00 39.78 38.58 3jul n ASN 300 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3jul n GLN 301 N 0.17 1.81 -3.11 3.52 6.02 -0.67 -4.93 117.38 120.19 3jul n GLN 301 Ca 0.08 -0.75 -0.39 0.00 -0.01 0.00 0.00 57.00 55.93 3jul n GLN 301 Cb 0.41 -1.18 -0.05 0.00 1.02 0.00 0.00 30.24 30.44 3jul n GLN 301 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3jul s VAL 302 N -1.60 4.81 -0.07 5.09 1.01 -1.07 -3.86 120.40 124.71 3jul s VAL 302 Ca 0.11 1.41 0.04 0.00 0.00 0.00 0.00 61.98 63.54 3jul s VAL 302 Cb 0.11 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 3jul s VAL 302 CO 0.32 0.41 -0.19 -0.94 0.00 0.00 0.00 175.10 174.70 3jul s SER 303 N -0.21 3.60 -0.13 3.32 1.04 -0.58 -4.98 113.70 115.76 3jul s SER 303 Ca 0.34 -0.37 -0.03 0.00 0.48 0.00 0.00 55.95 56.37 3jul s SER 303 Cb -0.19 -1.03 -0.03 0.00 0.10 0.00 0.00 66.02 64.86 3jul s SER 303 CO 0.20 0.26 -0.01 -0.63 0.98 0.00 0.00 173.24 174.03 3jul s ILE 304 N -0.22 4.14 -0.21 -1.02 -1.09 -1.26 -1.25 121.20 120.28 3jul s ILE 304 Ca -0.01 -0.29 0.01 0.00 -2.23 0.00 0.00 60.65 58.13 3jul s ILE 304 Cb -0.13 -2.78 0.05 0.00 -1.58 0.00 0.00 42.46 38.01 3jul s ILE 304 CO 0.03 0.54 -0.07 -0.63 -1.23 0.00 0.00 174.94 173.58 3jul s ILE 305 N -0.15 1.48 0.16 2.92 -1.09 -0.47 -4.95 121.20 119.11 3jul s ILE 305 Ca 0.04 -1.06 -0.30 0.00 -2.23 0.00 0.00 60.65 57.10 3jul s ILE 305 Cb -0.13 -1.69 -0.07 0.00 -1.58 0.00 0.00 42.46 38.99 3jul s ILE 305 CO 0.02 0.01 1.17 -1.58 -1.23 0.00 0.00 174.94 173.33 3jul s GLN 306 N 1.44 4.51 -0.20 2.79 0.74 -1.26 -0.37 119.66 127.31 3jul s GLN 306 Ca -0.03 1.81 -0.12 0.00 0.05 0.00 0.00 55.36 57.07 3jul s GLN 306 Cb -0.18 -3.27 -0.05 0.00 1.10 0.00 0.00 33.01 30.62 3jul s GLN 306 CO -0.07 -0.07 0.20 -0.51 -0.55 0.00 0.00 175.29 174.29 3jul s LEU 307 N -0.06 4.20 0.00 3.68 1.43 0.16 -4.93 118.68 123.16 3jul s LEU 307 Ca 0.53 0.31 0.24 0.00 -1.03 0.00 0.00 54.13 54.18 3jul s LEU 307 Cb -0.31 -2.20 0.23 0.00 0.03 0.00 0.00 46.19 43.94 3jul s LEU 307 CO 0.35 0.12 1.28 -0.62 0.23 0.00 0.00 176.35 177.71