#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qwu n GLU 5 N 0.00 2.43 -0.66 4.33 0.28 -1.26 -5.11 120.64 120.65 2qwu n GLU 5 Ca 0.00 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.74 2qwu n GLU 5 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 2qwu n GLU 5 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2qwu n ILE 7 N -0.31 0.00 -3.34 3.84 5.41 -1.26 -4.95 119.36 118.75 2qwu n ILE 7 Ca 0.00 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.43 2qwu n ILE 7 Cb 0.00 -0.19 -0.05 0.00 -0.71 0.00 0.00 39.64 38.69 2qwu n ILE 7 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2qwu s THR 8 N 1.16 4.87 0.29 1.39 -4.23 -1.26 -4.19 115.64 113.68 2qwu s THR 8 Ca 0.40 0.57 -0.00 0.00 -1.18 0.00 0.00 61.69 61.48 2qwu s THR 8 Cb -0.57 -3.62 0.28 0.00 1.34 0.00 0.00 72.50 69.93 2qwu s THR 8 CO 0.31 -0.11 1.90 -0.09 -0.54 0.00 0.00 174.62 176.08 2qwu h ARG 9 N 2.42 1.04 -0.45 3.99 9.65 -1.97 -1.86 114.38 127.20 2qwu h ARG 9 Ca -0.47 -0.06 0.05 0.00 -1.10 0.00 0.00 59.98 58.40 2qwu h ARG 9 Cb 1.17 -0.23 -0.05 0.00 -1.39 0.00 0.00 29.97 29.47 2qwu h ARG 9 CO 0.68 0.69 0.17 0.37 2.80 0.00 0.00 179.97 184.68 2qwu h GLN 10 N 1.07 0.35 -0.64 0.20 5.75 -1.99 0.11 115.11 119.96 2qwu h GLN 10 Ca 0.41 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.93 2qwu h GLN 10 Cb 0.21 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.64 2qwu h GLN 10 CO -0.16 0.23 0.37 1.96 -2.65 0.00 0.00 178.83 178.58 2qwu h GLN 11 N 0.36 0.69 -0.37 1.69 4.20 -1.73 -0.86 115.11 119.10 2qwu h GLN 11 Ca 0.21 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.77 2qwu h GLN 11 Cb 0.19 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2qwu h GLN 11 CO -0.20 0.46 -0.19 0.28 -0.67 0.00 0.00 178.83 178.51 2qwu h VAL 12 N 0.72 1.28 -0.42 -0.54 2.07 -1.08 -2.04 116.25 116.23 2qwu h VAL 12 Ca 0.27 -1.32 -0.14 0.00 0.82 0.00 0.00 66.70 66.33 2qwu h VAL 12 Cb 0.10 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2qwu h VAL 12 CO -0.14 0.44 -0.30 0.74 0.02 0.00 0.00 177.57 178.33 2qwu h THR 13 N 0.57 1.27 0.00 2.57 2.02 -0.64 -3.28 112.91 115.42 2qwu h THR 13 Ca 0.08 -1.46 0.00 0.00 0.77 0.00 0.00 66.41 65.80 2qwu h THR 13 Cb 0.74 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 2qwu h THR 13 CO 0.06 0.50 -0.18 0.77 0.37 0.00 0.00 175.52 177.03 2qwu h SER 14 N 0.78 0.00 0.00 4.18 4.64 -1.14 -3.48 113.55 118.53 2qwu h SER 14 Ca 0.09 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2qwu h SER 14 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2qwu h SER 14 CO 0.08 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 2qwu n GLY 15 N 1.27 0.40 3.81 -0.77 0.00 -0.80 -5.05 105.19 104.04 2qwu n GLY 15 Ca 0.05 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 2qwu n GLY 15 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qwu s GLU 16 N -2.78 2.10 0.32 1.61 2.12 -1.02 -4.50 118.70 116.55 2qwu s GLU 16 Ca 0.00 0.64 -0.29 0.00 0.36 0.00 0.00 54.97 55.67 2qwu s GLU 16 Cb 0.00 -1.92 -0.12 0.00 0.26 0.00 0.00 34.13 32.35 2qwu s GLU 16 CO 0.00 -1.61 1.47 2.41 -0.54 0.00 0.00 175.26 176.99 2qwu n THR 17 N -3.42 1.51 -4.22 -1.70 -1.04 -1.26 -4.66 114.28 99.49 2qwu n THR 17 Ca 0.07 -0.38 -0.35 0.00 -2.04 0.00 0.00 64.05 61.36 2qwu n THR 17 Cb 0.56 -1.80 -0.10 0.00 -1.82 0.00 0.00 70.33 67.17 2qwu n THR 17 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2qwu s ILE 18 N -0.58 4.51 -0.02 12.58 1.01 -0.08 -4.98 121.20 133.65 2qwu s ILE 18 Ca 0.60 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 61.10 2qwu s ILE 18 Cb -0.53 -2.96 0.02 0.00 0.01 0.00 0.00 42.46 39.00 2qwu s ILE 18 CO 0.56 0.54 -0.01 -2.28 0.00 0.00 0.00 174.94 173.76 2qwu s HIS 19 N -0.31 0.31 0.01 3.97 2.46 -1.26 -0.87 115.29 119.60 2qwu s HIS 19 Ca 0.07 -0.02 0.05 0.00 0.47 0.00 0.00 55.06 55.64 2qwu s HIS 19 Cb -0.12 -0.35 -0.02 0.00 -0.13 0.00 0.00 32.58 31.96 2qwu s HIS 19 CO 0.02 -0.10 -0.15 0.08 -2.47 0.00 0.00 174.74 172.12 2qwu s VAL 20 N 0.74 1.21 -0.17 0.89 1.01 -1.26 -4.74 120.40 118.09 2qwu s VAL 20 Ca -0.07 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 60.94 2qwu s VAL 20 Cb -0.11 -1.05 0.05 0.00 0.00 0.00 0.00 36.38 35.27 2qwu s VAL 20 CO -0.01 0.19 0.43 -0.60 0.00 0.00 0.00 175.10 175.11 2qwu s ARG 21 N -0.75 0.46 0.36 2.72 3.52 -1.26 -4.26 118.95 119.75 2qwu s ARG 21 Ca 0.04 0.69 0.04 0.00 -0.13 0.00 0.00 55.73 56.37 2qwu s ARG 21 Cb -0.07 0.13 -0.06 0.00 -1.56 0.00 0.00 34.95 33.40 2qwu s ARG 21 CO 0.00 -0.10 0.06 0.95 -0.81 0.00 0.00 175.30 175.40 2qwu s THR 22 N 0.73 1.19 0.50 4.11 -4.23 0.00 -5.01 115.64 112.94 2qwu s THR 22 Ca -0.04 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.25 2qwu s THR 22 Cb -0.05 -2.70 -0.06 0.00 1.34 0.00 0.00 72.50 71.03 2qwu s THR 22 CO -0.05 0.00 1.23 -1.81 -0.54 0.00 0.00 174.62 173.45 2qwu s ASP 23 N -3.56 5.76 0.37 3.99 1.01 -1.26 -4.85 116.67 118.13 2qwu s ASP 23 Ca 0.32 2.47 0.11 0.00 0.71 0.00 0.00 52.55 56.16 2qwu s ASP 23 Cb 0.07 -2.61 0.90 0.00 1.01 0.00 0.00 42.92 42.29 2qwu s ASP 23 CO 0.15 -1.21 1.86 -0.65 0.21 0.00 0.00 175.17 175.53 2qwu h PRO 24 N 1.72 0.59 -0.47 8.23 0.11 -1.99 -1.64 132.00 138.54 2qwu h PRO 24 Ca -0.50 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 65.34 2qwu h PRO 24 Cb 1.27 -0.13 -0.14 0.00 0.11 0.00 0.00 31.00 32.10 2qwu h PRO 24 CO 0.59 0.39 0.06 0.25 -0.21 0.00 0.00 178.00 179.07 2qwu n THR 25 N -4.56 2.68 0.24 -1.15 -2.24 -1.26 -4.66 114.28 103.34 2qwu n THR 25 Ca 0.18 -2.58 0.14 0.00 -2.27 0.00 0.00 64.05 59.52 2qwu n THR 25 Cb 0.54 -0.35 0.80 0.00 -2.10 0.00 0.00 70.33 69.23 2qwu n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qwu h ALA 26 N 1.04 1.80 0.00 6.98 0.00 -1.62 -2.03 119.26 125.43 2qwu h ALA 26 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2qwu h ALA 26 Cb 1.89 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.68 2qwu h ALA 26 CO 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.66 2qwu s ILE 28 N -3.37 1.76 0.00 0.00 -4.36 -0.76 0.40 121.20 114.86 2qwu s ILE 28 Ca 0.02 -2.07 0.00 0.00 -0.26 0.00 0.00 60.65 58.34 2qwu s ILE 28 Cb 0.08 -2.74 0.00 0.00 1.25 0.00 0.00 42.46 41.05 2qwu s ILE 28 CO 0.31 -0.12 0.00 0.61 0.24 0.00 0.00 174.94 175.99 2qwu n GLY 29 N -0.77 -0.48 3.17 6.27 0.00 -1.26 -4.86 105.19 107.25 2qwu n GLY 29 Ca -0.04 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 2qwu n GLY 29 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qwu s SER 30 N -1.58 5.30 0.22 1.61 0.15 -1.26 -4.88 113.70 113.25 2qwu s SER 30 Ca 0.00 -1.75 -0.22 0.00 0.70 0.00 0.00 55.95 54.68 2qwu s SER 30 Cb 0.00 -1.85 0.04 0.00 -1.71 0.00 0.00 66.02 62.50 2qwu s SER 30 CO 0.00 -0.49 0.65 -1.38 1.20 0.00 0.00 173.24 173.21 2qwu s HIS 31 N 1.24 -0.35 -2.15 3.44 -3.43 -1.26 -5.06 115.29 107.72 2qwu s HIS 31 Ca 0.04 0.02 0.19 0.00 -0.80 0.00 0.00 55.06 54.51 2qwu s HIS 31 Cb -0.22 0.61 0.52 0.00 -1.43 0.00 0.00 32.58 32.06 2qwu s HIS 31 CO -0.02 -1.03 1.43 -0.35 -2.00 0.00 0.00 174.74 172.77 2qwu n PRO 32 N -0.41 2.25 -2.50 -0.38 -0.04 -1.26 -4.80 135.00 127.85 2qwu n PRO 32 Ca -0.11 -1.92 -0.25 0.00 -0.04 0.00 0.00 63.50 61.18 2qwu n PRO 32 Cb 0.62 -1.45 0.04 0.00 -0.04 0.00 0.00 33.50 32.67 2qwu n PRO 32 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2qwu s ASN 33 N -1.20 5.37 0.52 3.54 0.01 -1.26 -4.60 114.94 117.33 2qwu s ASN 33 Ca 0.37 0.42 -0.21 0.00 -0.71 0.00 0.00 52.86 52.73 2qwu s ASN 33 Cb 0.20 -1.35 -0.06 0.00 0.41 0.00 0.00 41.25 40.45 2qwu s ASN 33 CO 0.27 -1.15 1.17 0.00 -1.51 0.00 0.00 177.10 175.88 2qwu n ARG 35 N -1.06 0.44 0.00 0.00 0.00 -0.12 -4.61 116.66 111.31 2qwu n ARG 35 Ca 0.10 -1.18 0.00 0.00 -0.00 0.00 0.00 57.85 56.78 2qwu n ARG 35 Cb 0.49 1.29 0.00 0.00 -0.00 0.00 0.00 32.46 34.24 2qwu n ARG 35 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.63 179.60 2qwu n PHE 37 N -0.26 0.00 -4.48 2.89 1.16 -1.26 -4.27 117.46 111.23 2qwu n PHE 37 Ca -0.02 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.32 2qwu n PHE 37 Cb 0.28 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.01 2qwu n PHE 37 CO 0.00 0.00 0.00 0.96 -1.87 0.00 0.00 176.76 175.85 2qwu s ILE 38 N -2.00 1.59 -1.62 1.97 -4.36 -0.20 -1.80 121.20 114.78 2qwu s ILE 38 Ca 0.00 -1.28 0.29 0.00 -0.26 0.00 0.00 60.65 59.40 2qwu s ILE 38 Cb 0.00 -1.41 0.51 0.00 1.25 0.00 0.00 42.46 42.80 2qwu s ILE 38 CO 0.00 0.09 1.94 -0.90 0.24 0.00 0.00 174.94 176.30 2qwu n ASP 39 N 1.60 0.32 -3.52 4.36 5.68 -0.43 -1.28 116.55 123.28 2qwu n ASP 39 Ca -0.18 -0.50 -0.13 0.00 -0.50 0.00 0.00 54.79 53.48 2qwu n ASP 39 Cb 0.54 -0.12 -0.04 0.00 -1.14 0.00 0.00 41.12 40.35 2qwu n ASP 39 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2qwu s SER 40 N -2.46 -0.47 -0.25 -1.12 1.04 -1.26 -4.07 113.70 105.10 2qwu s SER 40 Ca 0.30 0.09 -0.13 0.00 0.48 0.00 0.00 55.95 56.69 2qwu s SER 40 Cb 0.20 0.53 0.09 0.00 0.10 0.00 0.00 66.02 66.94 2qwu s SER 40 CO 0.46 -0.82 0.60 -0.22 0.98 0.00 0.00 173.24 174.24 2qwu s LEU 41 N -2.31 -0.79 -0.09 2.42 2.96 -1.26 -0.92 118.68 118.70 2qwu s LEU 41 Ca -0.02 1.36 0.04 0.00 -0.22 0.00 0.00 54.13 55.29 2qwu s LEU 41 Cb -0.00 2.07 -0.00 0.00 0.50 0.00 0.00 46.19 48.75 2qwu s LEU 41 CO -0.06 -0.23 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.62 2qwu s THR 42 N 1.94 1.96 -0.13 3.68 2.01 -0.76 -0.77 115.64 123.57 2qwu s THR 42 Ca -0.08 -0.98 -0.00 0.00 0.31 0.00 0.00 61.69 60.94 2qwu s THR 42 Cb -0.08 -1.69 0.02 0.00 0.01 0.00 0.00 72.50 70.77 2qwu s THR 42 CO -0.18 0.54 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.56 2qwu s ILE 43 N 0.24 1.28 -1.49 1.82 1.01 0.19 -1.02 121.20 123.23 2qwu s ILE 43 Ca -0.15 -0.47 -0.13 0.00 0.00 0.00 0.00 60.65 59.91 2qwu s ILE 43 Cb -0.17 -1.26 0.09 0.00 0.01 0.00 0.00 42.46 41.13 2qwu s ILE 43 CO 0.07 0.40 0.80 0.00 0.00 0.00 0.00 174.94 176.21 2qwu n ALA 44 N 4.86 -1.19 -0.36 9.38 0.00 -0.56 -0.29 120.51 132.36 2qwu n ALA 44 Ca -0.14 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2qwu n ALA 44 Cb 0.50 -3.88 0.00 0.00 0.00 0.00 0.00 19.45 16.07 2qwu n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qwu n GLY 45 N -1.50 1.90 3.66 0.00 0.00 -1.26 -4.90 105.19 103.09 2qwu n GLY 45 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2qwu n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qwu s GLU 46 N -0.14 4.18 -0.16 1.61 0.41 0.61 -5.04 118.70 120.17 2qwu s GLU 46 Ca 0.00 0.39 -0.24 0.00 -0.41 0.00 0.00 54.97 54.71 2qwu s GLU 46 Cb 0.00 -3.57 -0.02 0.00 -1.78 0.00 0.00 34.13 28.76 2qwu s GLU 46 CO 0.00 -0.16 0.78 0.15 -0.49 0.00 0.00 175.26 175.54 2qwu s LYS 47 N 1.69 4.30 0.24 1.61 1.02 -1.26 -0.64 119.74 126.70 2qwu s LYS 47 Ca 0.23 0.94 -0.24 0.00 0.02 0.00 0.00 55.97 56.92 2qwu s LYS 47 Cb -0.15 -3.56 -0.09 0.00 -0.52 0.00 0.00 37.83 33.51 2qwu s LYS 47 CO 0.09 -0.26 0.83 -0.51 -0.92 0.00 0.00 175.35 174.58 2qwu s LEU 48 N 1.93 4.45 0.41 3.17 2.01 0.05 -5.01 118.68 125.69 2qwu s LEU 48 Ca 0.37 1.67 -0.25 0.00 0.01 0.00 0.00 54.13 55.92 2qwu s LEU 48 Cb -0.17 -3.62 -0.08 0.00 0.01 0.00 0.00 46.19 42.33 2qwu s LEU 48 CO 0.13 0.07 1.24 -1.81 1.01 0.00 0.00 176.35 176.99 2qwu s ASP 49 N -1.44 6.35 -0.89 2.29 1.01 -1.26 -4.58 116.67 118.15 2qwu s ASP 49 Ca 0.43 2.51 -0.21 0.00 0.71 0.00 0.00 52.55 55.98 2qwu s ASP 49 Cb -0.20 -2.63 0.10 0.00 1.01 0.00 0.00 42.92 41.20 2qwu s ASP 49 CO 0.25 -0.81 1.17 -0.75 0.21 0.00 0.00 175.17 175.24 2qwu s LYS 50 N -2.31 3.49 -0.02 8.23 2.20 -1.26 -4.41 119.74 125.65 2qwu s LYS 50 Ca 0.58 -1.38 0.02 0.00 -0.36 0.00 0.00 55.97 54.83 2qwu s LYS 50 Cb -0.34 -4.85 0.04 0.00 -1.51 0.00 0.00 37.83 31.16 2qwu s LYS 50 CO 0.44 -1.89 0.81 0.27 -0.36 0.00 0.00 175.35 174.61 2qwu n ASN 51 N 7.39 0.81 -4.51 1.43 6.94 -0.99 -4.75 115.26 121.58 2qwu n ASN 51 Ca 0.20 -1.71 -0.34 0.00 -0.02 0.00 0.00 54.58 52.71 2qwu n ASN 51 Cb 0.49 -0.09 -0.12 0.00 -2.36 0.00 0.00 39.78 37.70 2qwu n ASN 51 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2qwu s ILE 52 N -0.61 4.07 -1.25 1.53 1.01 -0.46 -4.91 121.20 120.59 2qwu s ILE 52 Ca 0.04 -0.29 -0.16 0.00 0.00 0.00 0.00 60.65 60.24 2qwu s ILE 52 Cb 0.03 -2.81 0.12 0.00 0.01 0.00 0.00 42.46 39.82 2qwu s ILE 52 CO 0.00 0.47 1.57 -0.69 0.00 0.00 0.00 174.94 176.30 2qwu s VAL 53 N 0.52 4.59 0.29 2.92 1.01 -1.26 -0.55 120.40 127.91 2qwu s VAL 53 Ca -0.01 -2.27 -0.22 0.00 0.00 0.00 0.00 61.98 59.47 2qwu s VAL 53 Cb -0.14 -5.05 -0.09 0.00 0.00 0.00 0.00 36.38 31.10 2qwu s VAL 53 CO 0.02 -1.81 0.83 0.00 0.00 0.00 0.00 175.10 174.14 2qwu s ALA 54 N 2.86 3.30 -0.27 5.51 0.00 -1.26 -4.77 121.76 127.13 2qwu s ALA 54 Ca 0.48 0.32 -0.06 0.00 0.00 0.00 0.00 51.96 52.70 2qwu s ALA 54 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.13 2qwu s ALA 54 CO 0.04 0.25 0.04 0.42 0.00 0.00 0.00 175.76 176.51 2qwu s ILE 55 N -1.64 3.82 0.72 0.00 -1.09 0.16 -4.76 121.20 118.41 2qwu s ILE 55 Ca 0.48 -0.59 -0.13 0.00 -2.23 0.00 0.00 60.65 58.18 2qwu s ILE 55 Cb -0.16 -2.89 0.03 0.00 -1.58 0.00 0.00 42.46 37.85 2qwu s ILE 55 CO 0.21 0.20 1.10 -0.62 -1.23 0.00 0.00 174.94 174.60 2qwu s ASP 56 N 1.50 4.82 0.25 3.58 2.15 -1.26 -4.80 116.67 122.92 2qwu s ASP 56 Ca 0.04 1.90 -0.31 0.00 0.43 0.00 0.00 52.55 54.61 2qwu s ASP 56 Cb -0.16 -2.53 -0.12 0.00 -0.30 0.00 0.00 42.92 39.80 2qwu s ASP 56 CO 0.01 -1.82 1.56 0.61 -0.17 0.00 0.00 175.17 175.36 2qwu n GLY 57 N -0.90 1.20 3.05 2.66 0.00 -0.45 -1.46 105.19 109.28 2qwu n GLY 57 Ca 0.10 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.63 2qwu n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qwu n GLY 58 N 2.54 2.16 3.77 -0.02 0.00 -1.26 -4.87 105.19 107.51 2qwu n GLY 58 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 2qwu n GLY 58 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qwu s GLU 59 N -0.01 4.00 -0.45 1.61 2.12 -0.53 -4.95 118.70 120.48 2qwu s GLU 59 Ca 0.00 1.98 -0.29 0.00 0.36 0.00 0.00 54.97 57.02 2qwu s GLU 59 Cb 0.00 -2.71 0.02 0.00 0.26 0.00 0.00 34.13 31.71 2qwu s GLU 59 CO 0.00 -0.41 1.22 0.34 -0.54 0.00 0.00 175.26 175.87 2qwu s ASP 60 N -0.96 6.55 0.59 -1.70 -1.08 -1.26 -4.91 116.67 113.91 2qwu s ASP 60 Ca 0.57 0.59 0.37 0.00 -0.52 0.00 0.00 52.55 53.56 2qwu s ASP 60 Cb -0.34 -2.55 1.80 0.00 -1.46 0.00 0.00 42.92 40.37 2qwu s ASP 60 CO 0.43 -1.30 2.15 -0.37 0.52 0.00 0.00 175.17 176.60 2qwu h VAL 61 N 6.29 0.07 0.00 1.11 -1.51 -1.93 -2.12 116.25 118.16 2qwu h VAL 61 Ca -0.24 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 2qwu h VAL 61 Cb 1.07 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 2qwu h VAL 61 CO 1.11 0.02 0.00 0.71 -1.23 0.00 0.00 177.57 178.18 2qwu h THR 62 N 0.00 0.00 -0.01 7.19 1.35 -2.02 -2.53 112.91 116.89 2qwu h THR 62 Ca -0.00 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2qwu h THR 62 Cb 0.29 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 2qwu h THR 62 CO 0.00 0.00 -0.54 0.29 -0.25 0.00 0.00 175.52 175.02 2qwu n LYS 63 N -2.35 1.04 -2.60 4.72 5.02 -0.80 -4.92 118.16 118.27 2qwu n LYS 63 Ca 0.04 -0.85 -0.43 0.00 -2.02 0.00 0.00 58.31 55.05 2qwu n LYS 63 Cb 0.34 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.85 2qwu n LYS 63 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qwu s ALA 64 N -2.55 3.50 0.00 7.82 0.00 -0.96 -4.85 121.76 124.73 2qwu s ALA 64 Ca 0.17 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2qwu s ALA 64 Cb 0.18 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2qwu s ALA 64 CO 0.61 -0.78 0.00 -0.40 0.00 0.00 0.00 175.76 175.19 2qwu n ASP 65 N 5.45 0.13 -4.88 0.00 5.75 -1.26 -5.05 116.55 116.68 2qwu n ASP 65 Ca 0.10 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.59 2qwu n ASP 65 Cb 0.47 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.53 2qwu n ASP 65 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2qwu s SER 66 N -4.74 6.48 0.51 -1.12 1.04 -1.26 -4.97 113.70 109.64 2qwu s SER 66 Ca 0.00 1.08 -0.23 0.00 0.48 0.00 0.00 55.95 57.29 2qwu s SER 66 Cb 0.00 -2.30 -0.06 0.00 0.10 0.00 0.00 66.02 63.76 2qwu s SER 66 CO 0.00 -0.41 1.32 0.00 0.98 0.00 0.00 173.24 175.13 2qwu s ALA 67 N -2.41 2.91 0.00 5.32 0.00 -1.26 -4.70 121.76 121.62 2qwu s ALA 67 Ca 0.50 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.73 2qwu s ALA 67 Cb -0.10 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2qwu s ALA 67 CO 0.33 -1.19 0.00 0.25 0.00 0.00 0.00 175.76 175.15 2qwu n THR 68 N -0.78 0.00 -3.96 0.00 -2.24 0.28 -4.92 114.28 102.65 2qwu n THR 68 Ca 0.09 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 2qwu n THR 68 Cb 0.45 0.88 -0.13 0.00 -2.10 0.00 0.00 70.33 69.43 2qwu n THR 68 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qwu s ALA 69 N -0.65 0.16 -0.16 6.98 0.00 -0.41 -4.32 121.76 123.36 2qwu s ALA 69 Ca 0.00 -0.29 0.19 0.00 0.00 0.00 0.00 51.96 51.86 2qwu s ALA 69 Cb 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 23.12 23.06 2qwu s ALA 69 CO 0.00 -0.04 0.88 0.00 0.00 0.00 0.00 175.76 176.60 2qwu n ALA 70 N 2.45 2.13 -3.49 0.00 0.00 -0.41 -1.35 120.51 119.83 2qwu n ALA 70 Ca -0.17 -0.45 -0.15 0.00 0.00 0.00 0.00 53.44 52.67 2qwu n ALA 70 Cb 0.58 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 2qwu n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qwu s ALA 71 N -3.07 -1.73 0.15 0.00 0.00 -1.18 -4.58 121.76 111.34 2qwu s ALA 71 Ca -0.02 1.08 0.03 0.00 0.00 0.00 0.00 51.96 53.05 2qwu s ALA 71 Cb 0.09 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 2qwu s ALA 71 CO 0.81 -0.50 0.26 -1.54 0.00 0.00 0.00 175.76 174.79 2qwu s SER 72 N -1.69 6.20 -0.32 0.00 1.04 -0.14 -1.04 113.70 117.75 2qwu s SER 72 Ca -0.06 0.12 -0.07 0.00 0.48 0.00 0.00 55.95 56.42 2qwu s SER 72 Cb -0.00 -1.83 0.03 0.00 0.10 0.00 0.00 66.02 64.31 2qwu s SER 72 CO 0.02 0.05 0.10 -0.69 0.98 0.00 0.00 173.24 173.70 2qwu s VAL 73 N -1.75 3.87 -0.11 5.02 1.01 -1.26 -1.42 120.40 125.77 2qwu s VAL 73 Ca 0.34 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2qwu s VAL 73 Cb -0.11 -3.11 -0.25 0.00 0.00 0.00 0.00 36.38 32.92 2qwu s VAL 73 CO 0.28 -0.07 0.42 -0.38 0.00 0.00 0.00 175.10 175.35 2qwu n ILE 74 N 4.84 1.70 -4.03 2.22 5.41 0.06 -4.74 119.36 124.82 2qwu n ILE 74 Ca -0.13 -0.70 -0.14 0.00 1.00 0.00 0.00 62.75 62.77 2qwu n ILE 74 Cb 0.46 -1.45 -0.02 0.00 -0.71 0.00 0.00 39.64 37.92 2qwu n ILE 74 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2qwu s ARG 75 N -2.57 2.04 -0.30 0.38 0.52 -1.13 -0.82 118.95 117.08 2qwu s ARG 75 Ca -0.17 -1.73 -0.16 0.00 -0.52 0.00 0.00 55.73 53.15 2qwu s ARG 75 Cb 0.07 0.49 0.18 0.00 0.52 0.00 0.00 34.95 36.21 2qwu s ARG 75 CO 0.78 -0.88 1.11 0.45 0.02 0.00 0.00 175.30 176.78 2qwu s SER 77 N -3.22 -0.33 -0.14 0.23 0.15 -0.49 -0.53 113.70 109.37 2qwu s SER 77 Ca 0.27 0.49 -0.00 0.00 0.70 0.00 0.00 55.95 57.42 2qwu s SER 77 Cb -0.02 1.25 0.03 0.00 -1.71 0.00 0.00 66.02 65.57 2qwu s SER 77 CO 0.19 -0.07 -0.10 -0.63 1.20 0.00 0.00 173.24 173.83 2qwu s ILE 78 N 1.65 1.27 -0.34 6.45 1.01 -0.05 -1.70 121.20 129.50 2qwu s ILE 78 Ca -0.06 -0.49 -0.08 0.00 0.00 0.00 0.00 60.65 60.03 2qwu s ILE 78 Cb -0.03 -1.27 0.03 0.00 0.01 0.00 0.00 42.46 41.20 2qwu s ILE 78 CO -0.14 0.37 0.13 -0.89 0.00 0.00 0.00 174.94 174.40 2qwu s THR 79 N 1.60 4.07 0.52 2.92 2.01 -0.43 -0.90 115.64 125.44 2qwu s THR 79 Ca 0.04 -0.91 -0.21 0.00 0.31 0.00 0.00 61.69 60.92 2qwu s THR 79 Cb -0.13 -3.23 -0.08 0.00 0.01 0.00 0.00 72.50 69.06 2qwu s THR 79 CO -0.09 -0.12 0.83 -2.65 -0.69 0.00 0.00 174.62 171.91 2qwu n PRO 80 N 4.88 0.92 -4.19 4.92 -0.02 -1.26 -1.79 135.00 138.47 2qwu n PRO 80 Ca -0.13 0.34 -0.13 0.00 -2.02 0.00 0.00 63.50 61.57 2qwu n PRO 80 Cb 0.46 -1.95 -0.10 0.00 -0.02 0.00 0.00 33.50 31.89 2qwu n PRO 80 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2qwu s GLY 81 N -1.03 0.87 0.21 -1.23 0.00 -0.56 -4.80 107.32 100.77 2qwu s GLY 81 Ca 0.69 -1.31 -0.09 0.00 0.00 0.00 0.00 44.72 44.01 2qwu s GLY 81 CO 0.53 -1.40 1.78 1.48 0.00 0.00 0.00 173.10 175.50 2qwu h SER 82 N 3.20 1.04 0.00 1.64 4.64 -1.95 -3.35 113.55 118.76 2qwu h SER 82 Ca -0.36 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2qwu h SER 82 Cb 1.18 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2qwu h SER 82 CO 0.59 0.91 -0.24 -0.38 -0.87 0.00 0.00 176.83 176.84 2qwu n ILE 83 N -4.34 0.49 -4.37 0.95 5.41 -1.26 -3.73 119.36 112.51 2qwu n ILE 83 Ca 0.07 0.30 -0.23 0.00 1.00 0.00 0.00 62.75 63.89 2qwu n ILE 83 Cb 0.16 -1.61 -0.13 0.00 -0.71 0.00 0.00 39.64 37.35 2qwu n ILE 83 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 2qwu s ASN 84 N -4.88 2.23 0.82 4.38 0.01 -1.26 -0.06 114.94 116.18 2qwu s ASN 84 Ca -0.07 -0.59 -0.12 0.00 -0.71 0.00 0.00 52.86 51.37 2qwu s ASN 84 Cb 0.01 -0.14 0.09 0.00 0.41 0.00 0.00 41.25 41.62 2qwu s ASN 84 CO 0.10 0.06 1.18 -2.16 -1.51 0.00 0.00 177.10 174.77 2qwu s PRO 85 N -1.56 1.85 -0.10 -0.60 0.04 -1.23 -4.02 135.00 129.38 2qwu s PRO 85 Ca 0.04 0.10 0.03 0.00 0.04 0.00 0.00 61.00 61.21 2qwu s PRO 85 Cb -0.09 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 2qwu s PRO 85 CO 0.03 -1.67 -0.20 0.95 0.04 0.00 0.00 177.00 176.15 2qwu s THR 86 N -3.57 2.46 0.01 1.26 -4.23 -0.74 -4.46 115.64 106.37 2qwu s THR 86 Ca 0.63 -0.89 0.02 0.00 -1.18 0.00 0.00 61.69 60.27 2qwu s THR 86 Cb -0.11 -1.97 -0.01 0.00 1.34 0.00 0.00 72.50 71.75 2qwu s THR 86 CO 0.49 0.55 -0.06 -0.63 -0.54 0.00 0.00 174.62 174.44 2qwu s ILE 87 N 0.16 0.46 0.07 2.99 1.01 0.03 -1.31 121.20 124.61 2qwu s ILE 87 Ca -0.11 -0.41 0.06 0.00 0.00 0.00 0.00 60.65 60.19 2qwu s ILE 87 Cb -0.16 -0.42 -0.03 0.00 0.01 0.00 0.00 42.46 41.86 2qwu s ILE 87 CO 0.06 0.02 -0.17 -0.94 0.00 0.00 0.00 174.94 173.91 2qwu s SER 88 N -0.43 2.00 -0.02 3.58 1.04 -0.69 -1.57 113.70 117.60 2qwu s SER 88 Ca -0.00 -0.59 -0.10 0.00 0.48 0.00 0.00 55.95 55.74 2qwu s SER 88 Cb -0.04 -0.10 0.01 0.00 0.10 0.00 0.00 66.02 65.99 2qwu s SER 88 CO -0.00 0.01 0.21 -0.51 0.98 0.00 0.00 173.24 173.93 2qwu s ILE 89 N -1.10 0.06 -0.12 -1.02 2.07 -0.23 -1.40 121.20 119.46 2qwu s ILE 89 Ca 0.02 -0.51 0.00 0.00 -1.41 0.00 0.00 60.65 58.76 2qwu s ILE 89 Cb -0.09 -0.47 0.02 0.00 0.13 0.00 0.00 42.46 42.05 2qwu s ILE 89 CO 0.03 -0.28 -0.12 -0.89 -1.91 0.00 0.00 174.94 171.77 2qwu s THR 90 N -1.12 1.34 0.07 4.00 2.01 0.31 -0.61 115.64 121.65 2qwu s THR 90 Ca -0.12 -0.50 0.08 0.00 0.31 0.00 0.00 61.69 61.46 2qwu s THR 90 Cb -0.06 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.14 2qwu s THR 90 CO 0.02 0.42 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.40 2qwu s LEU 91 N 1.44 2.52 -0.18 4.42 1.43 0.76 -0.76 118.68 128.31 2qwu s LEU 91 Ca 0.02 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 52.56 2qwu s LEU 91 Cb -0.13 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 2qwu s LEU 91 CO -0.08 0.23 -0.03 -0.83 0.23 0.00 0.00 176.35 175.88 2qwu s GLY 92 N -1.64 1.70 0.13 -3.19 0.00 -0.51 -0.08 107.32 103.73 2qwu s GLY 92 Ca 0.15 -0.93 0.05 0.00 0.00 0.00 0.00 44.72 43.99 2qwu s GLY 92 CO 0.06 0.10 -0.13 -1.34 0.00 0.00 0.00 173.10 171.79 2qwu s VAL 93 N 0.74 1.28 -0.36 1.40 -7.23 -0.44 -0.97 120.40 114.81 2qwu s VAL 93 Ca -0.01 -1.81 -0.07 0.00 -1.81 0.00 0.00 61.98 58.27 2qwu s VAL 93 Cb -0.14 -1.61 0.05 0.00 0.56 0.00 0.00 36.38 35.23 2qwu s VAL 93 CO 0.02 -0.51 0.15 -0.22 -0.31 0.00 0.00 175.10 174.23 2qwu s LEU 94 N -2.66 4.57 0.12 1.32 2.96 -1.26 -0.05 118.68 123.68 2qwu s LEU 94 Ca 0.11 -1.24 -0.06 0.00 -0.22 0.00 0.00 54.13 52.72 2qwu s LEU 94 Cb -0.03 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 2qwu s LEU 94 CO 0.02 -0.39 0.16 0.27 -1.32 0.00 0.00 176.35 175.10 2qwu s ILE 95 N 1.41 0.12 0.56 6.68 -4.36 -0.91 -4.89 121.20 119.81 2qwu s ILE 95 Ca 0.00 -1.50 -0.13 0.00 -0.26 0.00 0.00 60.65 58.77 2qwu s ILE 95 Cb -0.20 -1.69 -0.06 0.00 1.25 0.00 0.00 42.46 41.76 2qwu s ILE 95 CO 0.03 -0.54 0.98 -0.54 0.24 0.00 0.00 174.94 175.11 2qwu s LYS 96 N -3.95 3.73 0.29 0.37 1.02 -1.26 -1.21 119.74 118.74 2qwu s LYS 96 Ca 0.14 0.76 0.00 0.00 0.02 0.00 0.00 55.97 56.89 2qwu s LYS 96 Cb 0.05 -2.15 0.52 0.00 -0.52 0.00 0.00 37.83 35.73 2qwu s LYS 96 CO -0.04 -0.39 1.88 0.77 -0.92 0.00 0.00 175.35 176.65 2qwu h SER 97 N 0.28 0.94 0.19 2.83 0.02 -1.97 -1.34 113.55 114.51 2qwu h SER 97 Ca -0.45 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.44 2qwu h SER 97 Cb 1.19 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 2qwu h SER 97 CO 0.62 0.57 -0.28 -1.13 -1.14 0.00 0.00 176.83 175.47 2qwu h ASN 98 N 1.05 0.15 0.32 3.07 -0.73 -1.96 -2.46 115.58 115.02 2qwu h ASN 98 Ca 0.43 -0.05 -0.13 0.00 1.87 0.00 0.00 56.30 58.43 2qwu h ASN 98 Cb 0.28 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.82 2qwu h ASN 98 CO -0.18 0.44 -0.51 0.58 -0.37 0.00 0.00 177.43 177.39 2qwu h VAL 99 N 0.14 1.35 -0.31 2.57 2.07 -1.63 -2.39 116.25 118.05 2qwu h VAL 99 Ca 0.02 -1.77 -0.00 0.00 0.82 0.00 0.00 66.70 65.77 2qwu h VAL 99 Cb 0.58 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 2qwu h VAL 99 CO 0.04 0.52 0.19 -0.09 0.02 0.00 0.00 177.57 178.25 2qwu h ARG 100 N 0.17 0.43 -0.65 1.57 2.43 -1.13 -0.92 114.38 116.28 2qwu h ARG 100 Ca 0.01 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 2qwu h ARG 100 Cb 0.97 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.40 2qwu h ARG 100 CO 0.08 0.33 0.11 1.15 -1.51 0.00 0.00 179.97 180.13 2qwu h THR 101 N 0.40 1.26 -0.15 0.20 2.02 -1.39 -1.69 112.91 113.57 2qwu h THR 101 Ca 0.11 -1.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.17 2qwu h THR 101 Cb 0.02 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2qwu h THR 101 CO -0.02 0.38 -0.42 0.11 0.37 0.00 0.00 175.52 175.94 2qwu h LYS 102 N 0.99 0.34 -0.32 6.66 1.79 -1.14 -1.47 116.57 123.42 2qwu h LYS 102 Ca 0.20 -0.17 -0.15 0.00 -2.18 0.00 0.00 60.65 58.35 2qwu h LYS 102 Cb 0.42 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2qwu h LYS 102 CO 0.01 0.70 -0.39 0.82 -1.08 0.00 0.00 179.45 179.51 2qwu h ILE 103 N 0.28 1.29 -0.65 1.86 2.04 -0.94 -1.77 117.51 119.61 2qwu h ILE 103 Ca 0.02 -1.57 -0.00 0.00 1.00 0.00 0.00 64.86 64.31 2qwu h ILE 103 Cb 0.86 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 2qwu h ILE 103 CO 0.07 0.51 0.39 -0.33 0.00 0.00 0.00 178.15 178.79 2qwu h GLU 104 N 0.61 0.88 -0.55 2.37 5.08 -1.06 -0.72 114.58 121.19 2qwu h GLU 104 Ca 0.04 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 2qwu h GLU 104 Cb 0.99 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 2qwu h GLU 104 CO 0.09 0.63 -0.01 0.93 -1.00 0.00 0.00 179.01 179.66 2qwu h GLU 105 N 0.88 0.96 -0.43 2.33 5.08 -1.21 -1.87 114.58 120.32 2qwu h GLU 105 Ca 0.23 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 2qwu h GLU 105 Cb -0.02 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2qwu h GLU 105 CO -0.04 0.95 -0.10 -0.22 -1.00 0.00 0.00 179.01 178.60 2qwu h LYS 106 N 0.88 0.82 -0.13 2.33 1.63 -0.93 -1.77 116.57 119.40 2qwu h LYS 106 Ca 0.16 -0.31 -0.00 0.00 -0.85 0.00 0.00 60.65 59.65 2qwu h LYS 106 Cb 0.53 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 2qwu h LYS 106 CO 0.03 0.94 0.07 0.28 -3.45 0.00 0.00 179.45 177.32 2qwu h VAL 107 N 0.65 1.10 -0.99 2.00 2.07 -1.02 -2.28 116.25 117.78 2qwu h VAL 107 Ca 0.11 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.39 2qwu h VAL 107 Cb 0.63 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 2qwu h VAL 107 CO 0.04 0.09 0.65 -1.28 0.02 0.00 0.00 177.57 177.09 2qwu h SER 108 N 0.12 1.09 -0.62 0.57 0.87 -1.32 0.93 113.55 115.18 2qwu h SER 108 Ca 0.05 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 2qwu h SER 108 Cb 0.08 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 2qwu h SER 108 CO -0.01 0.76 0.17 0.77 -0.53 0.00 0.00 176.83 177.99 2qwu h SER 109 N 1.27 0.93 -0.06 6.23 4.64 -1.04 -1.04 113.55 124.48 2qwu h SER 109 Ca 0.39 -0.23 -0.24 0.00 -0.47 0.00 0.00 61.79 61.24 2qwu h SER 109 Cb -0.03 -0.25 0.02 0.00 -0.31 0.00 0.00 62.40 61.83 2qwu h SER 109 CO -0.11 0.91 -0.89 0.40 -0.87 0.00 0.00 176.83 176.27 2qwu h ILE 110 N 0.91 1.29 -0.73 0.95 2.04 -1.00 -2.39 117.51 118.57 2qwu h ILE 110 Ca 0.20 -2.11 0.05 0.00 1.00 0.00 0.00 64.86 63.99 2qwu h ILE 110 Cb 0.34 2.24 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 2qwu h ILE 110 CO -0.00 0.66 0.48 0.25 0.00 0.00 0.00 178.15 179.54 2qwu h LEU 111 N 0.41 0.73 0.00 1.44 5.85 -0.73 -0.73 115.31 122.28 2qwu h LEU 111 Ca -0.09 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 2qwu h LEU 111 Cb 1.54 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 2qwu h LEU 111 CO 0.18 0.49 -0.77 1.56 -0.34 0.00 0.00 178.44 179.56 2qwu h GLN 112 N 0.84 0.00 0.03 1.25 4.20 -1.20 -3.16 115.11 117.07 2qwu h GLN 112 Ca 0.30 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.01 2qwu h GLN 112 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2qwu h GLN 112 CO -0.09 0.30 -0.01 0.00 -0.67 0.00 0.00 178.83 178.35 2qwu h ALA 113 N 1.62 -0.12 -2.17 3.87 0.00 -1.00 -3.45 119.26 118.00 2qwu h ALA 113 Ca -0.05 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.52 2qwu h ALA 113 Cb 1.34 0.01 -0.33 0.00 0.00 0.00 0.00 17.79 18.81 2qwu h ALA 113 CO 0.04 -0.12 -0.64 0.45 0.00 0.00 0.00 179.25 178.98 2qwu s SER 114 N -3.48 1.74 0.30 0.00 0.15 -0.32 -5.07 113.70 107.02 2qwu s SER 114 Ca -0.01 -0.77 0.05 0.00 0.70 0.00 0.00 55.95 55.93 2qwu s SER 114 Cb 0.00 0.48 0.73 0.00 -1.71 0.00 0.00 66.02 65.52 2qwu s SER 114 CO 0.02 -0.39 1.77 0.00 1.20 0.00 0.00 173.24 175.83 2qwu h ALA 115 N 8.27 1.64 0.00 5.45 0.00 -1.61 -2.27 119.26 130.74 2qwu h ALA 115 Ca -0.13 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qwu h ALA 115 Cb 1.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2qwu h ALA 115 CO 0.34 -0.07 0.00 0.25 0.00 0.00 0.00 179.25 179.77 2qwu n THR 116 N -4.79 0.40 -2.72 0.00 -2.24 -1.26 -4.26 114.28 99.40 2qwu n THR 116 Ca 0.23 0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.69 2qwu n THR 116 Cb 0.57 -0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 68.03 2qwu n THR 116 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2qwu s ASP 117 N -2.64 6.62 0.00 3.42 1.01 -0.85 -4.74 116.67 119.49 2qwu s ASP 117 Ca 0.18 -1.88 0.00 0.00 0.71 0.00 0.00 52.55 51.56 2qwu s ASP 117 Cb 0.14 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.57 2qwu s ASP 117 CO 0.33 -1.26 0.00 0.29 0.21 0.00 0.00 175.17 174.74 2qwu n LYS 119 N 7.78 0.00 -4.08 8.23 4.76 -1.26 -4.98 118.16 128.61 2qwu n LYS 119 Ca 0.32 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.44 2qwu n LYS 119 Cb 0.49 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.52 2qwu n LYS 119 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2qwu s ILE 120 N -1.39 1.96 -0.20 -0.18 1.01 -0.03 -1.49 121.20 120.87 2qwu s ILE 120 Ca 0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 60.65 59.56 2qwu s ILE 120 Cb 0.00 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.59 2qwu s ILE 120 CO 0.00 0.33 -0.13 -0.75 0.00 0.00 0.00 174.94 174.40 2qwu s LYS 121 N 1.29 3.11 0.09 2.79 2.47 -0.19 -0.40 119.74 128.89 2qwu s LYS 121 Ca 0.01 -0.78 -0.13 0.00 -1.56 0.00 0.00 55.97 53.51 2qwu s LYS 121 Cb -0.15 -2.78 -0.06 0.00 -1.46 0.00 0.00 37.83 33.38 2qwu s LYS 121 CO -0.10 -0.23 0.46 -0.51 0.16 0.00 0.00 175.35 175.14 2qwu s LEU 122 N 1.36 4.38 0.00 5.43 1.43 -0.01 -1.83 118.68 129.44 2qwu s LEU 122 Ca 0.05 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 2qwu s LEU 122 Cb -0.14 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.08 2qwu s LEU 122 CO -0.08 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.29 2qwu n GLY 123 N 1.10 0.43 3.71 -3.19 0.00 -0.10 -1.79 105.19 105.35 2qwu n GLY 123 Ca -0.08 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 2qwu n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qwu s ASN 124 N -1.00 7.06 0.47 1.61 0.01 -1.26 -2.37 114.94 119.46 2qwu s ASN 124 Ca 0.00 1.99 -0.05 0.00 -0.71 0.00 0.00 52.86 54.09 2qwu s ASN 124 Cb 0.00 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 2qwu s ASN 124 CO 0.00 -0.50 0.77 -0.94 -1.51 0.00 0.00 177.10 174.92 2qwu s SER 125 N 1.16 6.28 0.57 -1.22 1.04 -1.26 -1.31 113.70 118.97 2qwu s SER 125 Ca 0.59 0.91 -0.19 0.00 0.48 0.00 0.00 55.95 57.74 2qwu s SER 125 Cb -0.29 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 2qwu s SER 125 CO 0.28 -0.54 1.16 0.54 0.98 0.00 0.00 173.24 175.65 2qwu s ASN 126 N -4.03 5.45 0.13 7.02 4.22 -0.74 -4.90 114.94 122.09 2qwu s ASN 126 Ca 0.47 2.23 0.18 0.00 -2.14 0.00 0.00 52.86 53.61 2qwu s ASN 126 Cb -0.10 -2.58 -0.07 0.00 1.28 0.00 0.00 41.25 39.77 2qwu s ASN 126 CO 0.43 -1.40 0.96 0.11 -2.04 0.00 0.00 177.10 175.16 2qwu h LYS 127 N 0.95 0.00 -3.51 3.55 1.57 -1.94 -3.41 116.57 113.78 2qwu h LYS 127 Ca -0.50 0.00 -0.73 0.00 -1.87 0.00 0.00 60.65 57.55 2qwu h LYS 127 Cb 1.27 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.26 2qwu h LYS 127 CO 0.56 0.22 -0.05 0.15 -0.57 0.00 0.00 179.45 179.75 2qwu s LYS 128 N -3.06 3.28 -0.20 3.15 1.02 -1.26 -3.31 119.74 119.36 2qwu s LYS 128 Ca -0.01 -2.93 0.02 0.00 0.02 0.00 0.00 55.97 53.06 2qwu s LYS 128 Cb 0.09 -4.07 -0.21 0.00 -0.52 0.00 0.00 37.83 33.12 2qwu s LYS 128 CO 0.80 -1.24 0.05 1.04 -0.92 0.00 0.00 175.35 175.07 2qwu n GLN 129 N 2.97 0.69 -3.97 1.68 6.02 -0.64 -1.35 117.38 122.78 2qwu n GLN 129 Ca 0.17 0.17 -0.14 0.00 -0.01 0.00 0.00 57.00 57.19 2qwu n GLN 129 Cb 0.39 -1.60 -0.15 0.00 1.02 0.00 0.00 30.24 29.91 2qwu n GLN 129 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2qwu s GLU 130 N -2.53 0.20 -0.39 -1.09 2.12 -0.67 -0.95 118.70 115.38 2qwu s GLU 130 Ca -0.26 -0.03 -0.28 0.00 0.36 0.00 0.00 54.97 54.76 2qwu s GLU 130 Cb 0.08 -0.25 0.02 0.00 0.26 0.00 0.00 34.13 34.24 2qwu s GLU 130 CO 0.69 -0.01 1.04 -0.47 -0.54 0.00 0.00 175.26 175.98 2qwu s TYR 131 N 0.27 3.01 0.79 5.30 5.04 -1.26 -1.16 117.35 129.34 2qwu s TYR 131 Ca -0.02 0.87 -0.12 0.00 -2.44 0.00 0.00 57.07 55.36 2qwu s TYR 131 Cb -0.05 -3.93 0.07 0.00 0.35 0.00 0.00 41.96 38.40 2qwu s TYR 131 CO -0.01 -0.96 1.14 0.15 -1.34 0.00 0.00 175.55 174.53 2qwu s LYS 132 N 3.86 2.12 0.54 4.97 -0.14 0.09 -4.95 119.74 126.23 2qwu s LYS 132 Ca 0.44 0.31 0.35 0.00 -1.36 0.00 0.00 55.97 55.71 2qwu s LYS 132 Cb -0.10 -1.95 1.62 0.00 -1.68 0.00 0.00 37.83 35.71 2qwu s LYS 132 CO 0.22 -1.52 2.05 1.79 -0.76 0.00 0.00 175.35 177.13 2qwu h THR 133 N -1.01 0.00 -0.47 2.17 1.35 -1.62 -2.06 112.91 111.28 2qwu h THR 133 Ca -0.46 -0.32 -0.04 0.00 -0.55 0.00 0.00 66.41 65.04 2qwu h THR 133 Cb 1.30 1.26 -0.02 0.00 -1.73 0.00 0.00 68.15 68.96 2qwu h THR 133 CO 0.64 0.00 0.05 -0.90 -0.25 0.00 0.00 175.52 175.06 2qwu n ASP 134 N -2.96 4.53 -3.22 5.36 5.75 -1.26 -4.94 116.55 119.81 2qwu n ASP 134 Ca -0.00 -2.76 -0.17 0.00 -0.01 0.00 0.00 54.79 51.84 2qwu n ASP 134 Cb 0.22 -0.66 0.08 0.00 -1.03 0.00 0.00 41.12 39.73 2qwu n ASP 134 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2qwu n GLU 135 N 0.36 -6.32 -3.75 0.11 1.02 -0.77 -4.98 120.64 106.31 2qwu n GLU 135 Ca 0.24 0.76 -0.13 0.00 -0.02 0.00 0.00 57.16 58.01 2qwu n GLU 135 Cb 1.02 -5.55 -0.08 0.00 -0.02 0.00 0.00 31.44 26.81 2qwu n GLU 135 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qwu s ALA 136 N -3.32 -0.83 0.42 0.62 0.00 -1.26 -4.99 121.76 112.42 2qwu s ALA 136 Ca 0.14 0.35 -0.18 0.00 0.00 0.00 0.00 51.96 52.27 2qwu s ALA 136 Cb -0.06 0.10 -0.10 0.00 0.00 0.00 0.00 23.12 23.06 2qwu s ALA 136 CO 0.66 -0.28 0.90 -1.58 0.00 0.00 0.00 175.76 175.46 2qwu s TRP 137 N -1.44 3.37 0.33 0.00 0.52 -1.26 -0.73 118.94 119.73 2qwu s TRP 137 Ca -0.13 1.45 -0.09 0.00 0.02 0.00 0.00 56.10 57.36 2qwu s TRP 137 Cb -0.05 -2.74 0.02 0.00 -1.15 0.00 0.00 33.47 29.55 2qwu s TRP 137 CO 0.04 -0.12 0.58 0.20 0.02 0.00 0.00 176.95 177.66 2qwu s GLY 138 N -2.47 0.91 0.00 0.98 0.00 -0.31 -4.89 107.32 101.55 2qwu s GLY 138 Ca 0.59 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 44.19 2qwu s GLY 138 CO 0.19 -0.69 0.00 0.29 0.00 0.00 0.00 173.10 172.90 2qwu n ILE 139 N -0.51 0.00 -2.14 0.90 -5.35 -1.21 -1.62 119.36 109.42 2qwu n ILE 139 Ca -0.02 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.04 2qwu n ILE 139 Cb 0.61 -1.76 -0.03 0.00 -1.74 0.00 0.00 39.64 36.72 2qwu n ILE 139 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2qwu s ILE 141 N 0.28 2.89 -0.54 7.28 1.01 -1.26 -4.01 121.20 126.85 2qwu s ILE 141 Ca 0.00 0.80 -0.20 0.00 0.00 0.00 0.00 60.65 61.25 2qwu s ILE 141 Cb 0.00 -3.51 0.06 0.00 0.01 0.00 0.00 42.46 39.02 2qwu s ILE 141 CO 0.00 0.15 0.73 -0.62 0.00 0.00 0.00 174.94 175.21 2qwu s ASP 142 N -0.05 6.24 0.00 3.58 -1.08 -0.32 -4.89 116.67 120.15 2qwu s ASP 142 Ca 0.54 -0.87 0.22 0.00 -0.52 0.00 0.00 52.55 51.92 2qwu s ASP 142 Cb -0.39 -2.33 0.65 0.00 -1.46 0.00 0.00 42.92 39.39 2qwu s ASP 142 CO 0.45 -1.04 1.50 0.18 0.52 0.00 0.00 175.17 176.79 2qwu n LEU 143 N 6.61 2.16 -4.63 -1.34 4.77 -1.26 -4.39 117.00 118.91 2qwu n LEU 143 Ca -0.05 -0.90 -0.50 0.00 -0.03 0.00 0.00 56.01 54.54 2qwu n LEU 143 Cb 0.45 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.36 2qwu n LEU 143 CO 0.58 0.45 1.06 -1.20 -1.33 0.00 0.00 177.39 176.95 2qwu n SER 144 N 0.65 2.31 -0.26 -1.43 7.64 -1.26 -1.60 113.62 119.67 2qwu n SER 144 Ca 0.17 1.10 -0.03 0.00 1.01 0.00 0.00 58.87 61.11 2qwu n SER 144 Cb 0.41 -1.28 -0.01 0.00 -1.01 0.00 0.00 64.21 62.31 2qwu n SER 144 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2qwu n ASN 145 N 3.24 -5.12 -4.75 6.43 3.02 -0.74 -4.96 115.26 112.39 2qwu n ASN 145 Ca 0.19 0.08 -0.41 0.00 -0.03 0.00 0.00 54.58 54.41 2qwu n ASN 145 Cb 0.23 -2.92 -0.03 0.00 -0.61 0.00 0.00 39.78 36.45 2qwu n ASN 145 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2qwu s LEU 146 N -0.77 4.42 -0.19 3.41 2.96 -0.63 -4.69 118.68 123.20 2qwu s LEU 146 Ca 0.00 2.51 -0.02 0.00 -0.22 0.00 0.00 54.13 56.40 2qwu s LEU 146 Cb 0.00 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.06 2qwu s LEU 146 CO 0.00 -0.53 -0.08 -0.70 -1.32 0.00 0.00 176.35 173.71 2qwu s GLU 147 N -0.66 3.33 0.17 1.98 2.12 -1.26 -0.83 118.70 123.55 2qwu s GLU 147 Ca 0.54 -0.66 0.08 0.00 0.36 0.00 0.00 54.97 55.29 2qwu s GLU 147 Cb -0.38 -2.87 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 2qwu s GLU 147 CO 0.43 -0.10 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.49 2qwu s LEU 148 N 1.19 3.17 0.17 2.70 1.43 0.46 -4.41 118.68 123.39 2qwu s LEU 148 Ca 0.02 -0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 52.51 2qwu s LEU 148 Cb -0.14 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.25 2qwu s LEU 148 CO -0.03 0.10 0.43 -0.72 0.23 0.00 0.00 176.35 176.36 2qwu s TYR 149 N -1.69 0.02 0.35 0.29 -0.85 -0.73 -0.86 117.35 113.89 2qwu s TYR 149 Ca 0.26 -0.36 -0.27 0.00 -0.52 0.00 0.00 57.07 56.18 2qwu s TYR 149 Cb -0.09 0.24 -0.09 0.00 0.38 0.00 0.00 41.96 42.39 2qwu s TYR 149 CO 0.17 -0.82 1.19 -2.14 -1.52 0.00 0.00 175.55 172.43 2qwu s PRO 150 N -3.89 4.28 0.13 -3.49 0.02 -1.26 -0.60 135.00 130.19 2qwu s PRO 150 Ca 0.10 1.92 -0.14 0.00 0.02 0.00 0.00 61.00 62.91 2qwu s PRO 150 Cb 0.01 -2.90 -0.01 0.00 0.02 0.00 0.00 34.50 31.62 2qwu s PRO 150 CO -0.04 -0.15 1.58 0.82 -0.33 0.00 0.00 177.00 178.88 2qwu h ILE 151 N 2.69 1.26 -2.14 2.83 2.04 -1.51 -3.41 117.51 119.27 2qwu h ILE 151 Ca -0.48 -1.04 0.18 0.00 1.00 0.00 0.00 64.86 64.52 2qwu h ILE 151 Cb 1.23 1.09 -0.11 0.00 -0.74 0.00 0.00 36.82 38.28 2qwu h ILE 151 CO 0.64 0.35 0.56 -0.94 0.00 0.00 0.00 178.15 178.76 2qwu s SER 152 N -6.26 -0.21 0.25 1.72 1.04 -1.26 -4.92 113.70 104.06 2qwu s SER 152 Ca -0.13 -0.22 -0.04 0.00 0.48 0.00 0.00 55.95 56.04 2qwu s SER 152 Cb 0.10 0.39 0.30 0.00 0.10 0.00 0.00 66.02 66.91 2qwu s SER 152 CO 0.80 -0.69 1.78 0.00 0.98 0.00 0.00 173.24 176.11 2qwu h ALA 153 N 2.00 1.11 -0.21 5.32 0.00 -1.91 -2.52 119.26 123.06 2qwu h ALA 153 Ca -0.23 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 2qwu h ALA 153 Cb 1.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2qwu h ALA 153 CO 0.27 0.59 -0.32 0.87 0.00 0.00 0.00 179.25 180.67 2qwu h LYS 154 N 0.89 0.42 0.00 0.00 1.57 -1.96 -3.07 116.57 114.43 2qwu h LYS 154 Ca 0.19 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 2qwu h LYS 154 Cb 0.34 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2qwu h LYS 154 CO 0.00 0.70 -0.32 0.00 -0.57 0.00 0.00 179.45 179.26 2qwu h ALA 155 N 1.30 0.80 -2.71 3.86 0.00 -1.87 -3.46 119.26 117.17 2qwu h ALA 155 Ca 0.05 -0.29 -0.49 0.00 0.00 0.00 0.00 54.91 54.17 2qwu h ALA 155 Cb 0.74 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.49 2qwu h ALA 155 CO 0.06 0.40 0.43 0.12 0.00 0.00 0.00 179.25 180.25 2qwu s PHE 156 N -3.09 3.62 -0.07 0.00 5.36 -0.96 -3.94 117.98 118.90 2qwu s PHE 156 Ca 0.05 1.74 -0.08 0.00 -0.96 0.00 0.00 56.93 57.68 2qwu s PHE 156 Cb 0.07 -3.16 0.02 0.00 -0.34 0.00 0.00 43.02 39.61 2qwu s PHE 156 CO 0.71 -0.28 0.21 0.45 -1.46 0.00 0.00 175.22 174.85 2qwu s SER 157 N -1.13 -0.19 -0.07 6.13 0.15 -0.91 -4.97 113.70 112.70 2qwu s SER 157 Ca 0.47 0.34 -0.07 0.00 0.70 0.00 0.00 55.95 57.39 2qwu s SER 157 Cb -0.28 0.41 0.02 0.00 -1.71 0.00 0.00 66.02 64.46 2qwu s SER 157 CO 0.35 -0.13 0.19 -0.51 1.20 0.00 0.00 173.24 174.35 2qwu s ILE 158 N -0.14 0.00 0.01 6.45 2.07 -1.26 -1.11 121.20 127.23 2qwu s ILE 158 Ca -0.02 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.19 2qwu s ILE 158 Cb -0.02 -0.29 -0.01 0.00 0.13 0.00 0.00 42.46 42.27 2qwu s ILE 158 CO 0.01 -0.02 -0.02 -0.94 -1.91 0.00 0.00 174.94 172.06 2qwu s SER 159 N 0.04 0.20 -0.14 4.50 1.04 -0.40 -4.98 113.70 113.95 2qwu s SER 159 Ca -0.01 -0.25 -0.01 0.00 0.48 0.00 0.00 55.95 56.17 2qwu s SER 159 Cb -0.02 0.04 0.04 0.00 0.10 0.00 0.00 66.02 66.18 2qwu s SER 159 CO 0.00 -0.13 -0.05 -0.63 0.98 0.00 0.00 173.24 173.41 2qwu s ILE 160 N -0.71 0.99 -0.06 -1.02 1.01 -1.26 -1.00 121.20 119.15 2qwu s ILE 160 Ca -0.07 -0.46 0.05 0.00 0.00 0.00 0.00 60.65 60.17 2qwu s ILE 160 Cb -0.05 -1.13 -0.00 0.00 0.01 0.00 0.00 42.46 41.28 2qwu s ILE 160 CO -0.00 0.19 -0.22 -1.61 0.00 0.00 0.00 174.94 173.30 2qwu s GLU 161 N 1.70 2.40 0.49 2.79 2.02 -0.47 -4.94 118.70 122.69 2qwu s GLU 161 Ca 0.02 -0.79 -0.19 0.00 0.02 0.00 0.00 54.97 54.03 2qwu s GLU 161 Cb -0.14 -1.98 -0.09 0.00 0.10 0.00 0.00 34.13 32.02 2qwu s GLU 161 CO -0.08 0.28 0.99 -1.25 0.02 0.00 0.00 175.26 175.23 2qwu s PRO 162 N 0.05 3.94 0.20 0.39 0.04 -1.26 -0.36 135.00 138.00 2qwu s PRO 162 Ca -0.08 1.15 0.01 0.00 0.04 0.00 0.00 61.00 62.12 2qwu s PRO 162 Cb -0.14 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 2qwu s PRO 162 CO 0.04 -0.29 0.06 0.95 0.04 0.00 0.00 177.00 177.81 2qwu s THR 163 N -2.27 0.45 -0.88 1.26 -4.23 -0.43 -4.88 115.64 104.66 2qwu s THR 163 Ca 0.63 -1.98 0.16 0.00 -1.18 0.00 0.00 61.69 59.32 2qwu s THR 163 Cb -0.12 -2.36 0.59 0.00 1.34 0.00 0.00 72.50 71.95 2qwu s THR 163 CO 0.22 -0.22 1.50 -0.62 -0.54 0.00 0.00 174.62 174.96 2qwu n GLU 164 N -0.31 3.39 0.00 3.99 -0.58 -1.26 -4.07 120.64 121.79 2qwu n GLU 164 Ca -0.03 -2.70 0.00 0.00 -0.42 0.00 0.00 57.16 54.02 2qwu n GLU 164 Cb 0.65 -1.74 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 2qwu n GLU 164 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2qwu n LEU 165 N 0.64 0.00 0.00 -4.62 4.77 -1.26 -4.88 117.00 111.66 2qwu n LEU 165 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2qwu n LEU 165 Cb 0.79 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 2qwu n LEU 165 CO 0.19 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 2qwu n GLY 167 N 0.31 6.47 3.22 -0.72 0.00 -1.26 -5.06 105.19 108.14 2qwu n GLY 167 Ca 0.00 -1.93 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 2qwu n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qwu s VAL 168 N 1.48 2.52 0.92 1.61 1.01 -1.26 -4.40 120.40 122.28 2qwu s VAL 168 Ca 0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 2qwu s VAL 168 Cb 0.00 -2.07 0.15 0.00 0.00 0.00 0.00 36.38 34.46 2qwu s VAL 168 CO 0.00 0.51 1.09 -0.94 0.00 0.00 0.00 175.10 175.77 2qwu s SER 169 N 1.00 3.12 0.63 3.32 1.04 -1.26 -4.86 113.70 116.69 2qwu s SER 169 Ca -0.02 1.66 0.40 0.00 0.48 0.00 0.00 55.95 58.47 2qwu s SER 169 Cb -0.15 -2.31 2.14 0.00 0.10 0.00 0.00 66.02 65.80 2qwu s SER 169 CO -0.04 -2.89 2.28 0.11 0.98 0.00 0.00 173.24 173.69 2qwu h LYS 170 N -1.72 0.00 -0.51 4.02 1.79 -2.07 -1.09 116.57 116.99 2qwu h LYS 170 Ca -0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 2qwu h LYS 170 Cb 1.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 2qwu h LYS 170 CO 0.51 0.01 0.00 -0.40 -1.08 0.00 0.00 179.45 178.49 2qwu n ASP 171 N -3.22 5.13 -1.00 0.86 5.75 -1.26 -5.25 116.55 117.55 2qwu n ASP 171 Ca -0.02 -2.87 0.00 0.00 -0.01 0.00 0.00 54.79 51.89 2qwu n ASP 171 Cb 0.12 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.58 2qwu n ASP 171 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qwu n GLY 172 N 0.43 -0.72 3.54 6.12 0.00 -0.42 -4.98 105.19 109.18 2qwu n GLY 172 Ca 0.26 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 2qwu n GLY 172 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qwu s ARG 174 N -0.72 0.63 -0.16 1.61 0.52 -0.35 -4.44 118.95 116.04 2qwu s ARG 174 Ca 0.00 -0.15 -0.29 0.00 -0.52 0.00 0.00 55.73 54.77 2qwu s ARG 174 Cb 0.00 0.29 -0.01 0.00 0.52 0.00 0.00 34.95 35.75 2qwu s ARG 174 CO 0.00 -0.26 1.12 -0.47 0.02 0.00 0.00 175.30 175.71 2qwu s TYR 175 N -2.44 3.21 0.05 -0.53 5.04 -1.26 -2.14 117.35 119.28 2qwu s TYR 175 Ca 0.05 1.32 0.06 0.00 -2.44 0.00 0.00 57.07 56.06 2qwu s TYR 175 Cb -0.01 -3.34 -0.03 0.00 0.35 0.00 0.00 41.96 38.92 2qwu s TYR 175 CO -0.06 -0.91 -0.12 -1.01 -1.34 0.00 0.00 175.55 172.12 2qwu s HIS 176 N 2.89 2.73 -0.22 4.97 3.76 0.93 -1.31 115.29 129.02 2qwu s HIS 176 Ca 0.50 -0.15 -0.06 0.00 -0.15 0.00 0.00 55.06 55.20 2qwu s HIS 176 Cb -0.19 -1.51 -0.02 0.00 1.11 0.00 0.00 32.58 31.97 2qwu s HIS 176 CO 0.13 0.35 0.03 0.42 -0.85 0.00 0.00 174.74 174.82 2qwu s ILE 177 N -1.04 4.08 -0.31 0.60 1.01 0.51 -1.33 121.20 124.72 2qwu s ILE 177 Ca 0.17 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.48 2qwu s ILE 177 Cb -0.11 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.49 2qwu s ILE 177 CO 0.09 0.39 0.13 -0.63 0.00 0.00 0.00 174.94 174.91 2qwu s ILE 178 N 1.32 4.34 -0.22 2.92 1.01 0.88 -1.37 121.20 130.08 2qwu s ILE 178 Ca 0.04 -0.56 -0.05 0.00 0.00 0.00 0.00 60.65 60.08 2qwu s ILE 178 Cb -0.15 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 2qwu s ILE 178 CO 0.02 0.05 -0.01 -0.44 0.00 0.00 0.00 174.94 174.56 2qwu s SER 179 N 1.56 4.62 -0.05 3.58 0.01 -0.17 -0.17 113.70 123.09 2qwu s SER 179 Ca 0.04 -0.29 0.04 0.00 1.31 0.00 0.00 55.95 57.05 2qwu s SER 179 Cb -0.17 -1.80 -0.00 0.00 0.21 0.00 0.00 66.02 64.26 2qwu s SER 179 CO 0.05 0.01 -0.18 -0.63 0.41 0.00 0.00 173.24 172.90 2qwu s ILE 180 N 1.30 1.47 0.19 1.44 1.01 0.22 -1.27 121.20 125.57 2qwu s ILE 180 Ca 0.04 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 60.00 2qwu s ILE 180 Cb -0.15 -1.27 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 2qwu s ILE 180 CO 0.00 0.42 -0.07 -1.81 0.00 0.00 0.00 174.94 173.48 2qwu s ASP 181 N 0.07 2.02 -0.48 3.58 1.01 -0.27 -1.06 116.67 121.53 2qwu s ASP 181 Ca -0.05 -1.09 -0.02 0.00 0.71 0.00 0.00 52.55 52.09 2qwu s ASP 181 Cb -0.12 -0.04 0.00 0.00 1.01 0.00 0.00 42.92 43.77 2qwu s ASP 181 CO 0.03 -0.36 0.33 0.61 0.21 0.00 0.00 175.17 175.98 2qwu n GLY 182 N -0.33 0.38 3.86 0.21 0.00 -1.19 -2.14 105.19 105.98 2qwu n GLY 182 Ca -0.08 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 2qwu n GLY 182 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qwu s LEU 183 N -2.93 3.69 0.00 0.99 1.43 -0.61 -1.40 118.68 119.86 2qwu s LEU 183 Ca 0.16 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2qwu s LEU 183 Cb -0.07 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.86 2qwu s LEU 183 CO 0.20 -0.27 0.14 1.07 0.23 0.00 0.00 176.35 177.72 2qwu n THR 184 N -1.34 0.00 -3.54 5.49 5.66 0.23 -0.79 114.28 120.00 2qwu n THR 184 Ca -0.03 -0.58 -0.13 0.00 -3.05 0.00 0.00 64.05 60.26 2qwu n THR 184 Cb 0.59 0.34 -0.04 0.00 -1.55 0.00 0.00 70.33 69.67 2qwu n THR 184 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2qwu s THR 185 N -2.53 0.03 -1.71 1.09 -1.32 -1.26 -1.77 115.64 108.17 2qwu s THR 185 Ca 0.09 -0.23 0.27 0.00 -1.21 0.00 0.00 61.69 60.61 2qwu s THR 185 Cb -0.00 -1.02 0.27 0.00 -1.51 0.00 0.00 72.50 70.24 2qwu s THR 185 CO 0.07 -0.13 1.59 -1.54 -2.21 0.00 0.00 174.62 172.40 2qwu n SER 186 N 0.06 0.94 -4.73 8.08 3.41 -1.26 -4.60 113.62 115.52 2qwu n SER 186 Ca -0.17 -0.82 -0.42 0.00 -0.26 0.00 0.00 58.87 57.20 2qwu n SER 186 Cb 0.62 0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.66 2qwu n SER 186 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2qwu s GLN 187 N -2.52 4.40 0.10 4.33 0.74 -1.26 -4.92 119.66 120.52 2qwu s GLN 187 Ca 0.24 1.99 0.24 0.00 0.05 0.00 0.00 55.36 57.88 2qwu s GLN 187 Cb 0.19 -3.23 0.32 0.00 1.10 0.00 0.00 33.01 31.38 2qwu s GLN 187 CO 0.52 -0.26 1.28 0.41 -0.55 0.00 0.00 175.29 176.70 2qwu n GLY 188 N 2.66 -1.37 3.57 2.59 0.00 -1.26 -4.52 105.19 106.86 2qwu n GLY 188 Ca 0.07 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 2qwu n GLY 188 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qwu s SER 189 N -4.09 -0.18 -0.02 1.61 1.04 -1.26 -0.09 113.70 110.71 2qwu s SER 189 Ca 0.06 -0.67 -0.02 0.00 0.48 0.00 0.00 55.95 55.80 2qwu s SER 189 Cb 0.14 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.85 2qwu s SER 189 CO 0.73 -1.11 0.06 -0.76 0.98 0.00 0.00 173.24 173.15 2qwu s LEU 190 N -2.93 1.77 0.28 2.42 1.43 -0.48 -4.91 118.68 116.26 2qwu s LEU 190 Ca 0.14 0.07 -0.29 0.00 -1.03 0.00 0.00 54.13 53.02 2qwu s LEU 190 Cb -0.01 0.24 -0.10 0.00 0.03 0.00 0.00 46.19 46.35 2qwu s LEU 190 CO 0.02 -0.06 1.12 -2.84 0.23 0.00 0.00 176.35 174.82 2qwu s PRO 191 N -0.13 4.61 0.21 1.29 0.02 -1.26 -0.95 135.00 138.79 2qwu s PRO 191 Ca -0.02 1.84 0.00 0.00 0.02 0.00 0.00 61.00 62.84 2qwu s PRO 191 Cb -0.01 -3.18 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 2qwu s PRO 191 CO 0.00 0.17 0.10 0.14 -0.33 0.00 0.00 177.00 177.08 2qwu s VAL 192 N -1.13 0.27 -0.10 3.83 -7.23 -0.39 -1.18 120.40 114.47 2qwu s VAL 192 Ca 0.45 -1.99 -0.07 0.00 -1.81 0.00 0.00 61.98 58.56 2qwu s VAL 192 Cb -0.33 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 34.17 2qwu s VAL 192 CO 0.42 -0.08 0.25 0.00 -0.31 0.00 0.00 175.10 175.38 2qwu h ALA 195 N -1.15 -0.71 -2.02 0.00 0.00 -1.86 -3.44 119.26 110.09 2qwu h ALA 195 Ca 0.00 -0.10 -0.48 0.00 0.00 0.00 0.00 54.91 54.34 2qwu h ALA 195 Cb 0.00 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2qwu h ALA 195 CO 0.00 -0.94 -0.44 0.00 0.00 0.00 0.00 179.25 177.86 2qwu s ALA 196 N -5.99 3.88 0.33 0.00 0.00 -1.26 -1.69 121.76 117.02 2qwu s ALA 196 Ca -0.16 -1.44 0.38 0.00 0.00 0.00 0.00 51.96 50.73 2qwu s ALA 196 Cb 0.07 -1.45 1.85 0.00 0.00 0.00 0.00 23.12 23.59 2qwu s ALA 196 CO 0.63 0.12 2.14 0.66 0.00 0.00 0.00 175.76 179.32 2qwu h SER 197 N 1.22 0.00 -0.51 0.00 4.64 -1.85 -1.29 113.55 115.76 2qwu h SER 197 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2qwu h SER 197 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2qwu h SER 197 CO 0.58 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.89 2qwu n THR 198 N -3.00 0.83 -1.63 2.95 -2.24 -1.26 -4.43 114.28 105.50 2qwu n THR 198 Ca -0.01 -0.72 -0.37 0.00 -2.27 0.00 0.00 64.05 60.68 2qwu n THR 198 Cb 0.18 0.27 0.06 0.00 -2.10 0.00 0.00 70.33 68.74 2qwu n THR 198 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2qwu n ASP 199 N 0.96 7.51 -4.78 3.42 8.00 -0.49 -5.01 116.55 126.16 2qwu n ASP 199 Ca 0.18 -3.81 -0.35 0.00 0.71 0.00 0.00 54.79 51.52 2qwu n ASP 199 Cb 0.49 -0.99 -0.01 0.00 -0.02 0.00 0.00 41.12 40.59 2qwu n ASP 199 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2qwu s LYS 200 N -3.93 3.53 0.19 -1.24 1.02 -1.26 -1.61 119.74 116.44 2qwu s LYS 200 Ca 0.59 1.57 -0.07 0.00 0.02 0.00 0.00 55.97 58.08 2qwu s LYS 200 Cb 0.47 -2.09 0.03 0.00 -0.52 0.00 0.00 37.83 35.72 2qwu s LYS 200 CO -0.19 -0.69 0.38 0.41 -0.92 0.00 0.00 175.35 174.34 2qwu n GLY 201 N 0.11 1.54 2.88 -3.33 0.00 -0.32 -4.95 105.19 101.11 2qwu n GLY 201 Ca 0.10 -1.15 -0.26 0.00 0.00 0.00 0.00 46.02 44.72 2qwu n GLY 201 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qwu s VAL 202 N -2.56 0.86 -0.28 1.61 1.01 -1.26 -1.26 120.40 118.51 2qwu s VAL 202 Ca 0.08 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 2qwu s VAL 202 Cb -0.02 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 2qwu s VAL 202 CO 0.06 0.34 0.54 0.00 0.00 0.00 0.00 175.10 176.04 2qwu s ALA 203 N 1.71 3.57 -0.09 5.51 0.00 -0.12 -4.91 121.76 127.43 2qwu s ALA 203 Ca 0.04 -0.65 -0.30 0.00 0.00 0.00 0.00 51.96 51.05 2qwu s ALA 203 Cb -0.13 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 2qwu s ALA 203 CO -0.07 -0.85 1.04 0.21 0.00 0.00 0.00 175.76 176.09 2qwu s LYS 204 N 2.38 4.42 -0.00 0.00 2.47 -1.26 -1.38 119.74 126.37 2qwu s LYS 204 Ca 0.22 1.45 0.01 0.00 -1.56 0.00 0.00 55.97 56.09 2qwu s LYS 204 Cb -0.15 -3.53 -0.02 0.00 -1.46 0.00 0.00 37.83 32.66 2qwu s LYS 204 CO 0.10 -0.32 0.05 0.44 0.16 0.00 0.00 175.35 175.79 2qwu n ILE 205 N 4.50 0.00 -3.38 5.43 -5.35 0.87 -4.80 119.36 116.63 2qwu n ILE 205 Ca 0.09 -0.33 -0.00 0.00 -0.27 0.00 0.00 62.75 62.24 2qwu n ILE 205 Cb 0.48 0.83 0.00 0.00 -1.74 0.00 0.00 39.64 39.22 2qwu n ILE 205 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qwu n GLY 206 N 1.47 1.39 3.73 3.28 0.00 -0.84 -1.50 105.19 112.72 2qwu n GLY 206 Ca 0.00 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 2qwu n GLY 206 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qwu s TYR 207 N -6.28 3.17 -0.28 1.61 5.04 0.91 -4.73 117.35 116.80 2qwu s TYR 207 Ca 0.02 1.08 -0.01 0.00 -2.44 0.00 0.00 57.07 55.72 2qwu s TYR 207 Cb -0.00 -3.70 0.05 0.00 0.35 0.00 0.00 41.96 38.65 2qwu s TYR 207 CO 0.01 -2.29 -0.04 0.42 -1.34 0.00 0.00 175.55 172.30 2qwu s ILE 208 N 0.32 2.78 -2.00 3.14 1.01 -1.26 -4.41 121.20 120.77 2qwu s ILE 208 Ca 0.60 -1.35 0.03 0.00 0.00 0.00 0.00 60.65 59.93 2qwu s ILE 208 Cb -0.39 -2.55 0.08 0.00 0.01 0.00 0.00 42.46 39.61 2qwu s ILE 208 CO 0.38 -0.01 0.66 0.00 0.00 0.00 0.00 174.94 175.97