#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 2.85 -1.03 -1.46 0.00 -1.26 -5.14 120.64 114.60 2qwu n GLU 5 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.76 2qwu n GLU 5 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.38 2qwu n GLU 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2qwu n ILE 7 N 0.00 0.00 -3.63 3.84 5.41 -1.26 -5.03 119.36 118.69 2qwu n ILE 7 Ca 0.00 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.46 2qwu n ILE 7 Cb 0.00 -0.18 -0.04 0.00 -0.71 0.00 0.00 39.64 38.71 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 1.08 5.17 0.26 1.39 -4.23 -1.26 -3.97 115.64 114.07 2qwu s THR 8 Ca 0.62 -0.19 -0.05 0.00 -1.18 0.00 0.00 61.69 60.89 2qwu s THR 8 Cb -0.88 -3.70 0.21 0.00 1.34 0.00 0.00 72.50 69.47 2qwu s THR 8 CO 0.45 -0.14 1.88 -0.09 -0.54 0.00 0.00 174.62 176.17 2qwu h ARG 9 N 2.17 1.14 -0.82 3.99 9.65 -1.97 -1.97 114.38 126.58 2qwu h ARG 9 Ca -0.47 -0.13 -0.01 0.00 -1.10 0.00 0.00 59.98 58.26 2qwu h ARG 9 Cb 1.18 -0.22 -0.04 0.00 -1.39 0.00 0.00 29.97 29.50 2qwu h ARG 9 CO 0.69 0.84 0.46 0.37 2.80 0.00 0.00 179.97 185.13 2qwu h GLN 10 N 1.15 1.12 -0.74 0.20 4.15 -1.99 -0.56 115.11 118.44 2qwu h GLN 10 Ca 0.29 -0.12 0.01 0.00 0.77 0.00 0.00 58.65 59.60 2qwu h GLN 10 Cb 0.04 -0.23 -0.04 0.00 0.21 0.00 0.00 27.48 27.47 2qwu h GLN 10 CO -0.04 0.81 0.49 0.37 -1.93 0.00 0.00 178.83 178.53 2qwu h GLN 11 N 1.13 0.97 -0.10 1.69 4.15 -1.78 -0.98 115.11 120.20 2qwu h GLN 11 Ca 0.29 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.61 2qwu h GLN 11 Cb 0.01 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.48 2qwu h GLN 11 CO -0.05 0.64 -0.09 0.28 -1.93 0.00 0.00 178.83 177.68 2qwu h VAL 12 N 1.00 1.36 -0.95 2.39 2.07 -0.76 -2.80 116.25 118.56 2qwu h VAL 12 Ca 0.27 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.58 2qwu h VAL 12 Cb -0.12 1.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 2qwu h VAL 12 CO -0.06 0.35 0.62 0.74 0.02 0.00 0.00 177.57 179.24 2qwu h THR 13 N -0.18 1.16 0.00 2.57 2.02 -0.95 -2.61 112.91 114.92 2qwu h THR 13 Ca 0.02 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.78 2qwu h THR 13 Cb 0.61 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 2qwu h THR 13 CO 0.02 0.22 0.00 -1.20 0.37 0.00 0.00 175.52 174.93 2qwu n SER 14 N -4.48 0.00 -1.52 4.18 7.64 -0.39 -4.93 113.62 114.13 2qwu n SER 14 Ca 0.12 -0.15 -0.13 0.00 1.01 0.00 0.00 58.87 59.72 2qwu n SER 14 Cb 0.09 -0.27 -0.01 0.00 -1.01 0.00 0.00 64.21 63.01 2qwu n SER 14 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qwu n GLY 15 N 1.02 -0.13 3.89 0.23 0.00 -0.98 -5.01 105.19 104.20 2qwu n GLY 15 Ca 0.13 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.61 2.24 0.31 1.61 2.12 -1.07 -4.63 118.70 114.67 2qwu s GLU 16 Ca 0.00 0.24 -0.29 0.00 0.36 0.00 0.00 54.97 55.28 2qwu s GLU 16 Cb 0.00 -1.97 -0.12 0.00 0.26 0.00 0.00 34.13 32.30 2qwu s GLU 16 CO 0.00 -1.43 1.37 2.41 -0.54 0.00 0.00 175.26 177.07 2qwu n THR 17 N -3.23 1.63 -3.85 -1.70 -1.04 -1.26 -4.61 114.28 100.22 2qwu n THR 17 Ca 0.08 -0.41 -0.35 0.00 -2.04 0.00 0.00 64.05 61.33 2qwu n THR 17 Cb 0.60 -1.62 -0.10 0.00 -1.82 0.00 0.00 70.33 67.39 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 -0.72 5.01 -0.05 12.58 -1.09 0.40 -4.93 121.20 132.39 2qwu s ILE 18 Ca 0.59 0.05 0.03 0.00 -2.23 0.00 0.00 60.65 59.09 2qwu s ILE 18 Cb -0.57 -3.29 0.01 0.00 -1.58 0.00 0.00 42.46 37.03 2qwu s ILE 18 CO 0.58 0.42 -0.13 -2.28 -1.23 0.00 0.00 174.94 172.30 2qwu s HIS 19 N 0.61 1.42 0.01 3.97 2.46 -1.26 -0.47 115.29 122.02 2qwu s HIS 19 Ca 0.05 -0.47 0.05 0.00 0.47 0.00 0.00 55.06 55.17 2qwu s HIS 19 Cb -0.13 -1.02 -0.02 0.00 -0.13 0.00 0.00 32.58 31.29 2qwu s HIS 19 CO 0.01 -0.22 -0.16 0.08 -2.47 0.00 0.00 174.74 171.98 2qwu s VAL 20 N 0.43 1.29 -0.08 0.89 1.01 -1.26 -4.72 120.40 117.97 2qwu s VAL 20 Ca -0.10 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 2qwu s VAL 20 Cb -0.13 -1.10 0.03 0.00 0.00 0.00 0.00 36.38 35.17 2qwu s VAL 20 CO 0.03 0.26 0.19 -0.60 0.00 0.00 0.00 175.10 174.98 2qwu s ARG 21 N -0.64 0.20 0.22 2.72 3.52 -1.26 -4.27 118.95 119.44 2qwu s ARG 21 Ca 0.05 0.32 0.03 0.00 -0.13 0.00 0.00 55.73 56.00 2qwu s ARG 21 Cb -0.07 0.04 -0.05 0.00 -1.56 0.00 0.00 34.95 33.31 2qwu s ARG 21 CO 0.00 -0.06 0.02 0.95 -0.81 0.00 0.00 175.30 175.40 2qwu s THR 22 N 0.41 0.86 0.59 4.11 -4.23 -0.03 -4.98 115.64 112.37 2qwu s THR 22 Ca -0.03 -2.01 -0.19 0.00 -1.18 0.00 0.00 61.69 58.28 2qwu s THR 22 Cb -0.04 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.41 2qwu s THR 22 CO -0.02 -0.29 1.22 -1.81 -0.54 0.00 0.00 174.62 173.18 2qwu s ASP 23 N -3.28 5.16 0.38 3.99 1.01 -1.26 -4.82 116.67 117.85 2qwu s ASP 23 Ca 0.29 2.43 0.14 0.00 0.71 0.00 0.00 52.55 56.12 2qwu s ASP 23 Cb 0.06 -2.60 0.98 0.00 1.01 0.00 0.00 42.92 42.36 2qwu s ASP 23 CO 0.09 -1.62 1.82 1.55 0.21 0.00 0.00 175.17 177.22 2qwu h PRO 24 N 0.92 0.51 -0.46 8.23 0.13 -1.99 -1.89 132.00 137.44 2qwu h PRO 24 Ca -0.51 -0.03 -0.31 0.00 -0.87 0.00 0.00 66.00 64.28 2qwu h PRO 24 Cb 1.30 -0.11 -0.21 0.00 0.13 0.00 0.00 31.00 32.11 2qwu h PRO 24 CO 0.55 0.34 -0.34 0.25 -0.23 0.00 0.00 178.00 178.56 2qwu n THR 25 N -4.60 2.57 0.28 1.56 -2.24 -1.26 -4.70 114.28 105.89 2qwu n THR 25 Ca 0.21 -3.39 0.13 0.00 -2.27 0.00 0.00 64.05 58.73 2qwu n THR 25 Cb 0.68 -0.66 0.83 0.00 -2.10 0.00 0.00 70.33 69.09 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 1.49 1.66 0.00 6.98 0.00 -1.66 -2.08 119.26 125.64 2qwu h ALA 26 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2qwu h ALA 26 Cb 1.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2qwu h ALA 26 CO 0.53 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.79 2qwu s ILE 28 N -2.62 1.29 0.00 0.00 -4.36 -0.78 0.03 121.20 114.75 2qwu s ILE 28 Ca 0.12 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 2qwu s ILE 28 Cb 0.09 -2.80 0.00 0.00 1.25 0.00 0.00 42.46 41.01 2qwu s ILE 28 CO 0.22 -0.02 0.00 0.61 0.24 0.00 0.00 174.94 175.99 2qwu n GLY 29 N -0.71 -0.70 3.13 6.27 0.00 -1.26 -4.88 105.19 107.04 2qwu n GLY 29 Ca -0.03 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.56 5.10 0.24 1.61 0.15 -1.26 -4.87 113.70 112.10 2qwu s SER 30 Ca 0.00 -1.77 -0.17 0.00 0.70 0.00 0.00 55.95 54.71 2qwu s SER 30 Cb 0.00 -1.78 0.01 0.00 -1.71 0.00 0.00 66.02 62.55 2qwu s SER 30 CO 0.00 -0.43 0.57 -1.38 1.20 0.00 0.00 173.24 173.19 2qwu s HIS 31 N 1.16 0.05 -1.63 3.44 -3.43 -1.26 -5.06 115.29 108.56 2qwu s HIS 31 Ca 0.04 -0.44 0.18 0.00 -0.80 0.00 0.00 55.06 54.04 2qwu s HIS 31 Cb -0.21 0.41 0.59 0.00 -1.43 0.00 0.00 32.58 31.93 2qwu s HIS 31 CO -0.03 -1.05 1.48 -0.35 -2.00 0.00 0.00 174.74 172.79 2qwu n PRO 32 N -0.39 2.87 -2.42 -0.38 -0.04 -1.26 -4.79 135.00 128.58 2qwu n PRO 32 Ca -0.05 -2.35 -0.25 0.00 -0.04 0.00 0.00 63.50 60.82 2qwu n PRO 32 Cb 0.61 -1.64 0.04 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.92 5.26 0.51 3.54 0.01 -1.26 -4.57 114.94 117.50 2qwu s ASN 33 Ca 0.43 0.44 -0.19 0.00 -0.71 0.00 0.00 52.86 52.83 2qwu s ASN 33 Cb 0.25 -1.31 -0.07 0.00 0.41 0.00 0.00 41.25 40.53 2qwu s ASN 33 CO 0.25 -1.25 1.04 0.00 -1.51 0.00 0.00 177.10 175.63 2qwu n ARG 35 N -1.22 0.30 0.00 0.00 0.00 -0.31 -4.59 116.66 110.84 2qwu n ARG 35 Ca 0.09 -0.81 0.00 0.00 -0.00 0.00 0.00 57.85 57.13 2qwu n ARG 35 Cb 0.53 0.89 0.00 0.00 -0.00 0.00 0.00 32.46 33.87 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 -0.18 0.00 -4.37 2.89 1.16 -1.26 -4.37 117.46 111.33 2qwu n PHE 37 Ca -0.01 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.34 2qwu n PHE 37 Cb 0.19 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 37.93 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 1.46 -1.78 1.97 -4.36 0.08 -2.11 121.20 114.45 2qwu s ILE 38 Ca 0.00 -1.29 0.30 0.00 -0.26 0.00 0.00 60.65 59.39 2qwu s ILE 38 Cb 0.00 -1.32 0.57 0.00 1.25 0.00 0.00 42.46 42.96 2qwu s ILE 38 CO 0.00 -0.01 1.95 -0.90 0.24 0.00 0.00 174.94 176.22 2qwu n ASP 39 N 1.49 0.42 -3.49 4.36 5.75 -0.47 -0.95 116.55 123.66 2qwu n ASP 39 Ca -0.19 -0.70 -0.13 0.00 -0.01 0.00 0.00 54.79 53.76 2qwu n ASP 39 Cb 0.54 -0.08 -0.04 0.00 -1.03 0.00 0.00 41.12 40.51 2qwu n ASP 39 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2qwu s SER 40 N -2.34 -0.51 -0.25 -1.12 1.04 -1.26 -4.12 113.70 105.14 2qwu s SER 40 Ca 0.34 0.10 -0.14 0.00 0.48 0.00 0.00 55.95 56.73 2qwu s SER 40 Cb 0.21 0.55 0.07 0.00 0.10 0.00 0.00 66.02 66.95 2qwu s SER 40 CO 0.44 -0.85 0.61 -0.22 0.98 0.00 0.00 173.24 174.20 2qwu s LEU 41 N -2.37 -0.72 -0.03 2.42 2.96 -1.26 -0.63 118.68 119.04 2qwu s LEU 41 Ca -0.02 1.35 0.05 0.00 -0.22 0.00 0.00 54.13 55.29 2qwu s LEU 41 Cb -0.00 2.10 -0.01 0.00 0.50 0.00 0.00 46.19 48.78 2qwu s LEU 41 CO -0.07 -0.23 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.65 2qwu s THR 42 N 1.59 1.55 -0.14 3.68 2.01 -0.89 -1.14 115.64 122.31 2qwu s THR 42 Ca -0.10 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.08 2qwu s THR 42 Cb -0.06 -1.31 0.04 0.00 0.01 0.00 0.00 72.50 71.18 2qwu s THR 42 CO -0.18 0.44 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.52 2qwu s ILE 43 N -0.20 0.91 -1.49 1.82 1.01 0.04 -1.64 121.20 121.64 2qwu s ILE 43 Ca 0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 2qwu s ILE 43 Cb -0.10 -1.08 0.01 0.00 0.01 0.00 0.00 42.46 41.30 2qwu s ILE 43 CO 0.01 0.17 0.11 0.00 0.00 0.00 0.00 174.94 175.24 2qwu n ALA 44 N 4.95 -0.75 -0.18 9.38 0.00 -0.13 -0.75 120.51 133.03 2qwu n ALA 44 Ca -0.11 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2qwu n ALA 44 Cb 0.49 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 -1.03 1.17 3.67 0.00 0.00 -1.26 -4.88 105.19 102.86 2qwu n GLY 45 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.52 4.24 -0.25 1.61 0.41 0.07 -5.04 118.70 119.23 2qwu s GLU 46 Ca 0.00 0.66 -0.17 0.00 -0.41 0.00 0.00 54.97 55.05 2qwu s GLU 46 Cb 0.00 -3.56 -0.03 0.00 -1.78 0.00 0.00 34.13 28.76 2qwu s GLU 46 CO 0.00 -0.21 0.47 0.21 -0.49 0.00 0.00 175.26 175.24 2qwu s LYS 47 N 1.80 4.09 0.25 1.61 2.20 -1.26 -0.78 119.74 127.64 2qwu s LYS 47 Ca 0.30 0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 55.87 2qwu s LYS 47 Cb -0.16 -3.63 -0.09 0.00 -1.51 0.00 0.00 37.83 32.44 2qwu s LYS 47 CO 0.11 -0.27 0.97 -0.51 -0.36 0.00 0.00 175.35 175.29 2qwu s LEU 48 N 2.04 4.63 0.42 5.43 2.01 -0.29 -5.02 118.68 127.89 2qwu s LEU 48 Ca 0.20 2.00 -0.25 0.00 0.01 0.00 0.00 54.13 56.10 2qwu s LEU 48 Cb -0.16 -3.62 -0.08 0.00 0.01 0.00 0.00 46.19 42.34 2qwu s LEU 48 CO 0.09 0.10 1.19 -1.81 1.01 0.00 0.00 176.35 176.94 2qwu s ASP 49 N -1.13 6.38 -0.83 2.29 1.01 -1.26 -4.54 116.67 118.59 2qwu s ASP 49 Ca 0.42 2.39 -0.22 0.00 0.71 0.00 0.00 52.55 55.85 2qwu s ASP 49 Cb -0.27 -2.62 0.08 0.00 1.01 0.00 0.00 42.92 41.12 2qwu s ASP 49 CO 0.33 -0.78 1.16 -0.75 0.21 0.00 0.00 175.17 175.34 2qwu s LYS 50 N -2.39 3.37 0.00 8.23 2.20 -1.26 -4.40 119.74 125.49 2qwu s LYS 50 Ca 0.59 -1.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.10 2qwu s LYS 50 Cb -0.32 -4.66 0.00 0.00 -1.51 0.00 0.00 37.83 31.34 2qwu s LYS 50 CO 0.39 -1.93 0.72 0.27 -0.36 0.00 0.00 175.35 174.44 2qwu n ASN 51 N 7.82 0.88 -4.61 1.43 0.23 -1.01 -4.74 115.26 115.27 2qwu n ASN 51 Ca 0.13 -1.44 -0.35 0.00 -0.53 0.00 0.00 54.58 52.40 2qwu n ASN 51 Cb 0.48 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.08 2qwu n ASN 51 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2qwu s ILE 52 N -0.44 4.70 -1.27 1.53 1.01 -0.39 -4.86 121.20 121.48 2qwu s ILE 52 Ca 0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 60.65 60.43 2qwu s ILE 52 Cb 0.00 -3.12 0.11 0.00 0.01 0.00 0.00 42.46 39.46 2qwu s ILE 52 CO 0.00 0.45 1.64 0.52 0.00 0.00 0.00 174.94 177.55 2qwu n VAL 53 N 3.66 4.07 -3.10 2.92 0.31 -1.26 -0.84 118.33 124.08 2qwu n VAL 53 Ca -0.17 -4.33 -0.37 0.00 -0.01 0.00 0.00 64.34 59.46 2qwu n VAL 53 Cb 0.52 -2.40 -0.06 0.00 -0.91 0.00 0.00 33.84 30.99 2qwu n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qwu s ALA 54 N 3.03 3.45 -0.25 3.52 0.00 -1.26 -4.76 121.76 125.49 2qwu s ALA 54 Ca 0.49 0.19 -0.08 0.00 0.00 0.00 0.00 51.96 52.55 2qwu s ALA 54 Cb 0.02 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 2qwu s ALA 54 CO 0.04 0.33 0.10 0.42 0.00 0.00 0.00 175.76 176.66 2qwu s ILE 55 N -1.37 4.69 0.64 0.00 -1.09 0.10 -4.76 121.20 119.41 2qwu s ILE 55 Ca 0.39 -0.05 -0.13 0.00 -2.23 0.00 0.00 60.65 58.64 2qwu s ILE 55 Cb -0.19 -3.19 -0.02 0.00 -1.58 0.00 0.00 42.46 37.48 2qwu s ILE 55 CO 0.22 0.33 1.05 -0.62 -1.23 0.00 0.00 174.94 174.69 2qwu s ASP 56 N 1.44 5.75 0.28 3.58 2.15 -1.26 -4.80 116.67 123.81 2qwu s ASP 56 Ca 0.06 1.64 -0.30 0.00 0.43 0.00 0.00 52.55 54.37 2qwu s ASP 56 Cb -0.15 -2.50 -0.11 0.00 -0.30 0.00 0.00 42.92 39.85 2qwu s ASP 56 CO 0.05 -1.19 1.60 -0.83 -0.17 0.00 0.00 175.17 174.63 2qwu s GLY 57 N -3.50 2.02 0.00 2.66 0.00 -0.07 -2.06 107.32 106.37 2qwu s GLY 57 Ca 0.59 1.57 0.00 0.00 0.00 0.00 0.00 44.72 46.88 2qwu s GLY 57 CO 0.47 2.58 0.00 0.61 0.00 0.00 0.00 173.10 176.76 2qwu n GLY 58 N 2.36 2.08 3.77 0.20 0.00 -1.26 -4.85 105.19 107.49 2qwu n GLY 58 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.07 4.37 -0.28 1.61 2.12 -0.88 -4.98 118.70 120.60 2qwu s GLU 59 Ca 0.00 1.84 -0.29 0.00 0.36 0.00 0.00 54.97 56.88 2qwu s GLU 59 Cb 0.00 -2.94 0.00 0.00 0.26 0.00 0.00 34.13 31.45 2qwu s GLU 59 CO 0.00 -0.04 1.24 0.34 -0.54 0.00 0.00 175.26 176.25 2qwu s ASP 60 N -0.98 6.79 0.55 -1.70 -1.08 -1.26 -4.90 116.67 114.09 2qwu s ASP 60 Ca 0.50 1.26 0.32 0.00 -0.52 0.00 0.00 52.55 54.11 2qwu s ASP 60 Cb -0.31 -2.54 1.58 0.00 -1.46 0.00 0.00 42.92 40.18 2qwu s ASP 60 CO 0.40 -0.97 2.09 -0.37 0.52 0.00 0.00 175.17 176.85 2qwu h VAL 61 N 5.81 0.32 0.00 1.11 -1.51 -1.93 -1.76 116.25 118.28 2qwu h VAL 61 Ca -0.25 -0.47 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 2qwu h VAL 61 Cb 1.09 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 2qwu h VAL 61 CO 1.02 0.07 0.00 0.35 -1.23 0.00 0.00 177.57 177.78 2qwu n THR 62 N -3.38 0.67 -0.17 7.19 -2.24 -1.26 -2.16 114.28 112.94 2qwu n THR 62 Ca -0.01 -0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.87 2qwu n THR 62 Cb 0.24 -0.85 0.26 0.00 -2.10 0.00 0.00 70.33 67.88 2qwu n THR 62 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qwu n LYS 63 N -2.12 2.65 -1.07 -0.78 5.02 -0.67 -4.97 118.16 116.22 2qwu n LYS 63 Ca 0.04 -2.43 -0.30 0.00 -2.02 0.00 0.00 58.31 53.60 2qwu n LYS 63 Cb 0.32 -1.49 0.15 0.00 -0.02 0.00 0.00 35.03 33.99 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 -1.10 1.30 0.00 7.82 0.00 -0.92 -4.96 121.76 123.91 2qwu s ALA 64 Ca 0.41 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.38 2qwu s ALA 64 Cb 0.22 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 20.11 2qwu s ALA 64 CO 0.29 -2.57 0.00 -3.47 0.00 0.00 0.00 175.76 170.01 2qwu n ASP 65 N -4.04 0.00 -4.86 0.00 2.03 -1.26 -5.10 116.55 103.32 2qwu n ASP 65 Ca 0.07 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.08 2qwu n ASP 65 Cb 0.55 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.99 2qwu n ASP 65 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2qwu s SER 66 N 2.00 5.47 0.41 1.67 0.15 -1.26 -4.92 113.70 117.22 2qwu s SER 66 Ca 0.00 1.31 -0.26 0.00 0.70 0.00 0.00 55.95 57.70 2qwu s SER 66 Cb 0.00 -2.18 -0.09 0.00 -1.71 0.00 0.00 66.02 62.04 2qwu s SER 66 CO 0.00 -1.34 1.41 0.00 1.20 0.00 0.00 173.24 174.51 2qwu s ALA 67 N -3.23 3.35 0.00 5.45 0.00 -1.26 -4.67 121.76 121.40 2qwu s ALA 67 Ca 0.58 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.97 2qwu s ALA 67 Cb -0.12 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2qwu s ALA 67 CO 0.53 -1.04 0.00 0.25 0.00 0.00 0.00 175.76 175.50 2qwu n THR 68 N 0.13 0.00 -3.99 0.00 -2.24 -0.02 -4.93 114.28 103.22 2qwu n THR 68 Ca 0.03 -0.31 -0.11 0.00 -2.27 0.00 0.00 64.05 61.39 2qwu n THR 68 Cb 0.41 0.85 -0.12 0.00 -2.10 0.00 0.00 70.33 69.37 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 -1.05 0.23 -0.11 6.98 0.00 -0.55 -4.39 121.76 122.86 2qwu s ALA 69 Ca 0.00 -0.45 0.16 0.00 0.00 0.00 0.00 51.96 51.68 2qwu s ALA 69 Cb 0.00 0.06 -0.17 0.00 0.00 0.00 0.00 23.12 23.01 2qwu s ALA 69 CO 0.00 -0.06 0.71 0.00 0.00 0.00 0.00 175.76 176.40 2qwu n ALA 70 N 2.07 1.86 -3.44 0.00 0.00 -0.12 -1.26 120.51 119.62 2qwu n ALA 70 Ca -0.20 -0.66 -0.13 0.00 0.00 0.00 0.00 53.44 52.45 2qwu n ALA 70 Cb 0.56 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 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 -2.85 -1.63 0.14 0.00 0.00 -1.18 -4.59 121.76 111.65 2qwu s ALA 71 Ca -0.04 0.69 0.05 0.00 0.00 0.00 0.00 51.96 52.65 2qwu s ALA 71 Cb 0.09 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 2qwu s ALA 71 CO 0.82 -0.67 0.11 -1.54 0.00 0.00 0.00 175.76 174.49 2qwu s SER 72 N -2.36 5.47 -0.26 0.00 1.04 -0.10 -0.74 113.70 116.76 2qwu s SER 72 Ca -0.02 -0.11 -0.06 0.00 0.48 0.00 0.00 55.95 56.24 2qwu s SER 72 Cb -0.01 -1.43 -0.01 0.00 0.10 0.00 0.00 66.02 64.68 2qwu s SER 72 CO -0.07 0.10 0.05 -0.69 0.98 0.00 0.00 173.24 173.60 2qwu s VAL 73 N -1.65 3.90 -0.21 5.02 1.01 -1.26 -1.03 120.40 126.18 2qwu s VAL 73 Ca 0.30 -0.51 0.14 0.00 0.00 0.00 0.00 61.98 61.92 2qwu s VAL 73 Cb -0.11 -2.90 -0.23 0.00 0.00 0.00 0.00 36.38 33.14 2qwu s VAL 73 CO 0.23 0.24 0.02 -0.38 0.00 0.00 0.00 175.10 175.21 2qwu n ILE 74 N 4.86 1.42 -3.94 2.22 5.41 -0.37 -4.74 119.36 124.22 2qwu n ILE 74 Ca -0.16 -0.79 -0.09 0.00 1.00 0.00 0.00 62.75 62.71 2qwu n ILE 74 Cb 0.50 -0.69 -0.03 0.00 -0.71 0.00 0.00 39.64 38.70 2qwu n ILE 74 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2qwu s ARG 75 N -2.50 1.74 -0.29 0.38 3.52 -1.14 -0.85 118.95 119.81 2qwu s ARG 75 Ca -0.15 -1.24 -0.16 0.00 -0.13 0.00 0.00 55.73 54.05 2qwu s ARG 75 Cb 0.07 0.53 0.13 0.00 -1.56 0.00 0.00 34.95 34.12 2qwu s ARG 75 CO 0.78 -0.76 0.91 -1.12 -0.81 0.00 0.00 175.30 174.29 2qwu s SER 77 N -3.01 -0.62 -0.17 -2.12 0.01 -0.25 -0.36 113.70 107.18 2qwu s SER 77 Ca 0.19 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.43 2qwu s SER 77 Cb -0.03 1.29 0.04 0.00 0.21 0.00 0.00 66.02 67.53 2qwu s SER 77 CO 0.10 -0.15 -0.10 -0.63 0.41 0.00 0.00 173.24 172.87 2qwu s ILE 78 N 1.49 1.42 -0.31 1.44 1.01 0.38 -1.67 121.20 124.96 2qwu s ILE 78 Ca -0.09 -0.74 -0.09 0.00 0.00 0.00 0.00 60.65 59.72 2qwu s ILE 78 Cb -0.04 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 2qwu s ILE 78 CO -0.16 0.25 0.14 -0.89 0.00 0.00 0.00 174.94 174.28 2qwu s THR 79 N 1.51 4.51 0.62 2.92 2.01 0.11 -0.45 115.64 126.87 2qwu s THR 79 Ca 0.01 -0.45 -0.19 0.00 0.31 0.00 0.00 61.69 61.38 2qwu s THR 79 Cb -0.15 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 2qwu s THR 79 CO -0.09 0.08 1.18 -2.65 -0.69 0.00 0.00 174.62 172.45 2qwu n PRO 80 N 4.97 1.11 -4.29 4.92 -0.02 -1.26 -1.40 135.00 139.02 2qwu n PRO 80 Ca -0.14 0.43 -0.16 0.00 -2.02 0.00 0.00 63.50 61.61 2qwu n PRO 80 Cb 0.49 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 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 -1.27 1.48 0.26 -1.23 0.00 -0.40 -4.78 107.32 101.39 2qwu s GLY 81 Ca 0.79 -1.73 -0.01 0.00 0.00 0.00 0.00 44.72 43.77 2qwu s GLY 81 CO 0.44 -1.60 1.74 1.48 0.00 0.00 0.00 173.10 175.16 2qwu h SER 82 N 2.53 0.68 0.00 1.64 4.64 -1.91 -3.34 113.55 117.80 2qwu h SER 82 Ca -0.38 -0.19 -0.18 0.00 -0.47 0.00 0.00 61.79 60.58 2qwu h SER 82 Cb 1.22 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 2qwu h SER 82 CO 0.63 0.81 -1.65 -0.38 -0.87 0.00 0.00 176.83 175.36 2qwu n ILE 83 N -4.19 0.66 -3.75 0.95 2.08 -1.26 -2.93 119.36 110.92 2qwu n ILE 83 Ca 0.01 -0.24 -0.13 0.00 0.56 0.00 0.00 62.75 62.95 2qwu n ILE 83 Cb 0.34 -1.00 -0.08 0.00 -0.75 0.00 0.00 39.64 38.15 2qwu n ILE 83 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 2qwu s ASN 84 N -5.23 -0.20 0.61 4.38 0.01 -1.26 -1.64 114.94 111.61 2qwu s ASN 84 Ca -0.16 0.08 -0.05 0.00 -0.71 0.00 0.00 52.86 52.02 2qwu s ASN 84 Cb 0.04 0.32 0.03 0.00 0.41 0.00 0.00 41.25 42.05 2qwu s ASN 84 CO 0.26 -0.47 0.90 -2.16 -1.51 0.00 0.00 177.10 174.12 2qwu s PRO 85 N -1.45 2.66 -0.15 -0.60 0.04 -1.13 -3.54 135.00 130.82 2qwu s PRO 85 Ca -0.13 -0.22 -0.03 0.00 0.04 0.00 0.00 61.00 60.66 2qwu s PRO 85 Cb -0.05 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 2qwu s PRO 85 CO 0.04 -0.83 -0.04 0.99 0.04 0.00 0.00 177.00 177.19 2qwu s THR 86 N -3.01 3.87 -0.02 1.26 2.01 -0.49 -4.44 115.64 114.82 2qwu s THR 86 Ca 0.56 -0.37 0.04 0.00 0.31 0.00 0.00 61.69 62.22 2qwu s THR 86 Cb -0.11 -2.68 -0.01 0.00 0.01 0.00 0.00 72.50 69.71 2qwu s THR 86 CO 0.44 0.50 -0.12 -0.63 -0.69 0.00 0.00 174.62 174.11 2qwu s ILE 87 N 0.27 1.00 0.02 1.82 1.01 0.33 -0.72 121.20 124.93 2qwu s ILE 87 Ca -0.03 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.15 2qwu s ILE 87 Cb -0.14 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 2qwu s ILE 87 CO 0.03 0.29 -0.17 -0.94 0.00 0.00 0.00 174.94 174.15 2qwu s SER 88 N -0.17 2.01 -0.05 3.58 1.04 -0.67 -1.40 113.70 118.04 2qwu s SER 88 Ca 0.03 -0.42 -0.09 0.00 0.48 0.00 0.00 55.95 55.94 2qwu s SER 88 Cb -0.06 -0.18 0.02 0.00 0.10 0.00 0.00 66.02 65.90 2qwu s SER 88 CO -0.00 0.13 0.22 -0.51 0.98 0.00 0.00 173.24 174.07 2qwu s ILE 89 N -0.66 0.04 -0.13 -1.02 2.07 -0.36 -1.09 121.20 120.04 2qwu s ILE 89 Ca 0.05 -0.31 0.02 0.00 -1.41 0.00 0.00 60.65 59.01 2qwu s ILE 89 Cb -0.08 -0.43 0.01 0.00 0.13 0.00 0.00 42.46 42.10 2qwu s ILE 89 CO 0.01 -0.17 -0.20 -0.89 -1.91 0.00 0.00 174.94 171.78 2qwu s THR 90 N -0.63 1.90 0.11 4.00 2.01 0.51 -0.72 115.64 122.82 2qwu s THR 90 Ca -0.07 -0.88 0.10 0.00 0.31 0.00 0.00 61.69 61.14 2qwu s THR 90 Cb -0.04 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 2qwu s THR 90 CO 0.02 0.52 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.46 2qwu s LEU 91 N 0.90 2.29 -0.15 4.42 1.43 0.20 -1.24 118.68 126.53 2qwu s LEU 91 Ca -0.06 -0.69 -0.02 0.00 -1.03 0.00 0.00 54.13 52.32 2qwu s LEU 91 Cb -0.15 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 2qwu s LEU 91 CO -0.03 0.14 -0.07 -0.83 0.23 0.00 0.00 176.35 175.79 2qwu s GLY 92 N -1.86 1.64 0.10 -3.19 0.00 -0.20 -0.08 107.32 103.74 2qwu s GLY 92 Ca 0.10 -0.88 0.05 0.00 0.00 0.00 0.00 44.72 43.99 2qwu s GLY 92 CO 0.05 -0.06 -0.13 -1.34 0.00 0.00 0.00 173.10 171.62 2qwu s VAL 93 N 0.48 1.17 -0.41 1.40 -7.23 -0.36 -0.92 120.40 114.52 2qwu s VAL 93 Ca -0.06 -1.61 -0.09 0.00 -1.81 0.00 0.00 61.98 58.41 2qwu s VAL 93 Cb -0.15 -1.38 0.08 0.00 0.56 0.00 0.00 36.38 35.48 2qwu s VAL 93 CO 0.03 -0.42 0.25 -0.22 -0.31 0.00 0.00 175.10 174.43 2qwu s LEU 94 N -2.31 5.10 0.10 1.32 2.96 -1.26 0.31 118.68 124.90 2qwu s LEU 94 Ca 0.06 -1.48 -0.02 0.00 -0.22 0.00 0.00 54.13 52.46 2qwu s LEU 94 Cb -0.05 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 2qwu s LEU 94 CO 0.02 -0.52 0.05 0.27 -1.32 0.00 0.00 176.35 174.85 2qwu s ILE 95 N 1.42 0.14 0.49 6.68 -4.36 -0.72 -4.88 121.20 119.97 2qwu s ILE 95 Ca 0.03 -1.79 -0.08 0.00 -0.26 0.00 0.00 60.65 58.55 2qwu s ILE 95 Cb -0.23 -1.81 -0.04 0.00 1.25 0.00 0.00 42.46 41.63 2qwu s ILE 95 CO 0.02 -0.65 0.83 -0.54 0.24 0.00 0.00 174.94 174.85 2qwu s LYS 96 N -3.99 3.61 0.55 0.37 1.02 -1.26 -1.43 119.74 118.61 2qwu s LYS 96 Ca 0.17 0.37 0.23 0.00 0.02 0.00 0.00 55.97 56.76 2qwu s LYS 96 Cb 0.07 -2.32 1.55 0.00 -0.52 0.00 0.00 37.83 36.61 2qwu s LYS 96 CO -0.03 -0.24 2.19 0.66 -0.92 0.00 0.00 175.35 177.01 2qwu h SER 97 N 0.35 0.00 0.55 2.83 4.64 -1.97 -1.74 113.55 118.21 2qwu h SER 97 Ca -0.46 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.76 2qwu h SER 97 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2qwu h SER 97 CO 0.62 0.01 -0.48 -0.55 -0.87 0.00 0.00 176.83 175.57 2qwu h ASN 98 N 0.00 0.00 -0.04 4.97 -1.07 -1.97 -2.37 115.58 115.10 2qwu h ASN 98 Ca -0.00 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.17 2qwu h ASN 98 Cb 0.03 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.28 2qwu h ASN 98 CO 0.00 0.48 -0.71 0.58 0.07 0.00 0.00 177.43 177.85 2qwu h VAL 99 N 0.00 1.31 -0.44 6.14 2.07 -1.71 -1.70 116.25 121.93 2qwu h VAL 99 Ca -0.00 -1.97 0.04 0.00 0.82 0.00 0.00 66.70 65.58 2qwu h VAL 99 Cb 0.88 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 32.57 2qwu h VAL 99 CO 0.06 0.62 0.21 -0.09 0.02 0.00 0.00 177.57 178.39 2qwu h ARG 100 N 0.47 0.41 -0.71 1.57 2.43 -1.31 -1.53 114.38 115.71 2qwu h ARG 100 Ca -0.03 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 2qwu h ARG 100 Cb 1.32 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 2qwu h ARG 100 CO 0.14 0.27 0.20 1.15 -1.51 0.00 0.00 179.97 180.23 2qwu h THR 101 N 0.42 1.26 -0.54 0.20 2.02 -1.26 -1.90 112.91 113.11 2qwu h THR 101 Ca 0.19 -0.92 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 2qwu h THR 101 Cb 0.11 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 2qwu h THR 101 CO -0.14 0.36 0.34 0.11 0.37 0.00 0.00 175.52 176.55 2qwu h LYS 102 N 1.05 0.72 -0.10 6.66 1.79 -0.85 -0.87 116.57 124.97 2qwu h LYS 102 Ca 0.23 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 2qwu h LYS 102 Cb 0.33 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2qwu h LYS 102 CO -0.00 0.51 0.04 0.82 -1.08 0.00 0.00 179.45 179.73 2qwu h ILE 103 N 0.73 1.15 -0.86 1.86 2.04 -1.15 0.10 117.51 121.39 2qwu h ILE 103 Ca 0.19 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2qwu h ILE 103 Cb -0.04 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 2qwu h ILE 103 CO -0.04 0.14 0.55 -0.33 0.00 0.00 0.00 178.15 178.47 2qwu h GLU 104 N -0.00 1.14 -0.25 2.37 5.08 -1.18 -0.07 114.58 121.66 2qwu h GLU 104 Ca 0.03 -0.08 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 2qwu h GLU 104 Cb 0.18 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 2qwu h GLU 104 CO -0.00 0.77 -0.54 0.93 -1.00 0.00 0.00 179.01 179.16 2qwu h GLU 105 N 1.17 0.76 -0.03 2.33 5.08 -0.99 -1.74 114.58 121.15 2qwu h GLU 105 Ca 0.31 -0.48 -0.14 0.00 -1.00 0.00 0.00 59.36 58.06 2qwu h GLU 105 Cb -0.11 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2qwu h GLU 105 CO -0.06 1.10 -0.60 0.87 -1.00 0.00 0.00 179.01 179.32 2qwu h LYS 106 N 0.58 0.11 0.13 2.33 1.57 -0.44 -1.01 116.57 119.85 2qwu h LYS 106 Ca 0.01 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2qwu h LYS 106 Cb 1.13 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2qwu h LYS 106 CO 0.11 0.68 -0.06 0.28 -0.57 0.00 0.00 179.45 179.89 2qwu h VAL 107 N 0.08 1.05 0.00 0.50 2.07 -0.94 -1.89 116.25 117.13 2qwu h VAL 107 Ca -0.01 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 2qwu h VAL 107 Cb 1.09 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.48 2qwu h VAL 107 CO 0.09 0.22 -0.07 0.77 0.02 0.00 0.00 177.57 178.60 2qwu h SER 108 N -0.65 0.00 -0.27 0.57 4.64 -1.31 -1.65 113.55 114.88 2qwu h SER 108 Ca -0.02 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 2qwu h SER 108 Cb 0.50 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 2qwu h SER 108 CO 0.03 0.07 -0.16 -1.28 -0.87 0.00 0.00 176.83 174.62 2qwu h SER 109 N 0.00 0.62 0.74 4.97 0.87 -1.10 -2.86 113.55 116.79 2qwu h SER 109 Ca -0.00 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2qwu h SER 109 Cb 0.14 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 2qwu h SER 109 CO 0.01 0.91 0.00 -0.38 -0.53 0.00 0.00 176.83 176.84 2qwu n ILE 110 N -4.41 0.12 -0.01 2.23 5.41 -0.72 -3.44 119.36 118.55 2qwu n ILE 110 Ca -0.04 0.03 -0.03 0.00 1.00 0.00 0.00 62.75 63.71 2qwu n ILE 110 Cb 0.38 -0.57 -0.12 0.00 -0.71 0.00 0.00 39.64 38.63 2qwu n ILE 110 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2qwu n LEU 111 N -1.40 0.67 0.19 1.39 4.77 -0.67 -2.22 117.00 119.73 2qwu n LEU 111 Ca 0.10 0.31 0.05 0.00 -0.03 0.00 0.00 56.01 56.43 2qwu n LEU 111 Cb 0.27 0.17 0.36 0.00 -2.33 0.00 0.00 43.42 41.89 2qwu n LEU 111 CO 0.23 0.26 0.70 0.06 -1.33 0.00 0.00 177.39 177.31 2qwu h GLN 112 N 0.00 0.00 0.00 3.23 3.07 -1.53 -3.41 115.11 116.47 2qwu h GLN 112 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.49 2qwu h GLN 112 Cb 1.78 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.34 2qwu h GLN 112 CO 0.05 0.37 0.00 0.00 0.09 0.00 0.00 178.83 179.34 2qwu n ALA 113 N -2.33 0.00 -3.71 0.06 0.00 -1.24 -4.98 120.51 108.31 2qwu n ALA 113 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.08 2qwu n ALA 113 Cb 0.48 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.80 2qwu n ALA 113 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2qwu s SER 114 N -1.00 5.05 0.29 0.00 0.01 -0.94 -4.99 113.70 112.11 2qwu s SER 114 Ca 0.00 -1.63 -0.03 0.00 1.31 0.00 0.00 55.95 55.60 2qwu s SER 114 Cb 0.00 -1.76 0.40 0.00 0.21 0.00 0.00 66.02 64.87 2qwu s SER 114 CO 0.00 -0.38 1.96 0.00 0.41 0.00 0.00 173.24 175.22 2qwu h ALA 115 N 8.00 1.38 0.00 1.44 0.00 -1.79 -2.07 119.26 126.22 2qwu h ALA 115 Ca -0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2qwu h ALA 115 Cb 1.05 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2qwu h ALA 115 CO 0.60 0.58 -0.16 1.79 0.00 0.00 0.00 179.25 182.06 2qwu h THR 116 N 1.17 0.57 -1.15 0.00 1.35 -1.90 -3.38 112.91 109.57 2qwu h THR 116 Ca 0.32 -0.72 -0.66 0.00 -0.55 0.00 0.00 66.41 64.80 2qwu h THR 116 Cb -0.13 1.47 -0.10 0.00 -1.73 0.00 0.00 68.15 67.66 2qwu h THR 116 CO -0.07 0.15 1.80 -1.81 -0.25 0.00 0.00 175.52 175.34 2qwu s ASP 117 N -6.17 6.72 0.00 5.36 1.01 -0.78 -4.78 116.67 118.03 2qwu s ASP 117 Ca -0.02 -2.10 0.00 0.00 0.71 0.00 0.00 52.55 51.14 2qwu s ASP 117 Cb 0.12 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.50 2qwu s ASP 117 CO 0.60 -1.25 0.00 0.29 0.21 0.00 0.00 175.17 175.02 2qwu n LYS 119 N 8.24 0.00 -4.46 8.23 5.02 -1.26 -5.00 118.16 128.93 2qwu n LYS 119 Ca 0.41 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.41 2qwu n LYS 119 Cb 0.48 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.32 2qwu n LYS 119 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2qwu s ILE 120 N -1.44 1.50 -0.15 -0.18 1.01 -0.16 -0.96 121.20 120.82 2qwu s ILE 120 Ca 0.00 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.02 2qwu s ILE 120 Cb 0.00 -1.37 0.02 0.00 0.01 0.00 0.00 42.46 41.12 2qwu s ILE 120 CO 0.00 0.44 -0.18 -0.75 0.00 0.00 0.00 174.94 174.45 2qwu s LYS 121 N 0.98 2.64 0.04 2.79 2.47 -0.65 -0.07 119.74 127.95 2qwu s LYS 121 Ca -0.07 -0.70 -0.19 0.00 -1.56 0.00 0.00 55.97 53.45 2qwu s LYS 121 Cb -0.15 -2.26 -0.06 0.00 -1.46 0.00 0.00 37.83 33.90 2qwu s LYS 121 CO -0.01 -0.13 0.56 -0.51 0.16 0.00 0.00 175.35 175.41 2qwu s LEU 122 N 1.15 4.49 0.00 5.43 1.43 -0.44 -2.08 118.68 128.67 2qwu s LEU 122 Ca -0.01 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.29 2qwu s LEU 122 Cb -0.14 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.21 2qwu s LEU 122 CO -0.07 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.36 2qwu n GLY 123 N 1.92 -0.68 3.73 -3.19 0.00 0.19 -1.45 105.19 105.72 2qwu n GLY 123 Ca -0.10 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.04 7.10 0.45 1.61 0.01 -1.26 -2.34 114.94 119.47 2qwu s ASN 124 Ca 0.00 2.11 -0.02 0.00 -0.71 0.00 0.00 52.86 54.24 2qwu s ASN 124 Cb 0.00 -2.59 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 2qwu s ASN 124 CO 0.00 -0.40 0.70 -0.94 -1.51 0.00 0.00 177.10 174.95 2qwu s SER 125 N 0.56 6.05 0.51 -1.22 1.04 -1.26 -1.37 113.70 118.00 2qwu s SER 125 Ca 0.55 0.56 -0.21 0.00 0.48 0.00 0.00 55.95 57.34 2qwu s SER 125 Cb -0.31 -1.89 -0.07 0.00 0.10 0.00 0.00 66.02 63.86 2qwu s SER 125 CO 0.33 -0.60 1.13 0.54 0.98 0.00 0.00 173.24 175.61 2qwu s ASN 126 N -4.15 5.96 0.22 7.02 4.22 -0.90 -4.92 114.94 122.39 2qwu s ASN 126 Ca 0.46 2.19 0.18 0.00 -2.14 0.00 0.00 52.86 53.55 2qwu s ASN 126 Cb -0.10 -2.59 0.03 0.00 1.28 0.00 0.00 41.25 39.88 2qwu s ASN 126 CO 0.40 -1.06 1.20 0.11 -2.04 0.00 0.00 177.10 175.72 2qwu h LYS 127 N 1.54 0.00 -3.34 3.55 1.57 -1.94 -3.40 116.57 114.54 2qwu h LYS 127 Ca -0.50 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 57.58 2qwu h LYS 127 Cb 1.25 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.21 2qwu h LYS 127 CO 0.58 0.26 -0.13 0.15 -0.57 0.00 0.00 179.45 179.74 2qwu s LYS 128 N -3.07 3.18 -0.12 3.15 1.02 -1.26 -3.16 119.74 119.49 2qwu s LYS 128 Ca 0.01 -3.19 0.02 0.00 0.02 0.00 0.00 55.97 52.83 2qwu s LYS 128 Cb 0.08 -3.93 -0.24 0.00 -0.52 0.00 0.00 37.83 33.22 2qwu s LYS 128 CO 0.76 -1.26 0.37 1.04 -0.92 0.00 0.00 175.35 175.34 2qwu n GLN 129 N 2.46 0.70 -3.80 1.68 6.02 -0.35 -0.89 117.38 123.21 2qwu n GLN 129 Ca 0.20 0.24 -0.13 0.00 -0.01 0.00 0.00 57.00 57.30 2qwu n GLN 129 Cb 0.37 -1.70 -0.14 0.00 1.02 0.00 0.00 30.24 29.79 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 -2.56 0.09 -0.29 -1.09 2.12 -0.34 -1.17 118.70 115.46 2qwu s GLU 130 Ca -0.18 0.22 -0.27 0.00 0.36 0.00 0.00 54.97 55.10 2qwu s GLU 130 Cb 0.07 -0.06 0.01 0.00 0.26 0.00 0.00 34.13 34.41 2qwu s GLU 130 CO 0.77 -0.08 0.99 -0.47 -0.54 0.00 0.00 175.26 175.93 2qwu s TYR 131 N 0.56 3.21 0.63 5.30 5.04 -1.26 -1.27 117.35 129.55 2qwu s TYR 131 Ca -0.04 1.16 -0.06 0.00 -2.44 0.00 0.00 57.07 55.69 2qwu s TYR 131 Cb -0.06 -3.47 0.03 0.00 0.35 0.00 0.00 41.96 38.81 2qwu s TYR 131 CO -0.02 -0.65 0.93 0.15 -1.34 0.00 0.00 175.55 174.62 2qwu s LYS 132 N 3.36 2.67 0.60 4.97 -0.14 -0.04 -4.95 119.74 126.22 2qwu s LYS 132 Ca 0.42 -0.11 0.34 0.00 -1.36 0.00 0.00 55.97 55.25 2qwu s LYS 132 Cb -0.13 -2.25 1.92 0.00 -1.68 0.00 0.00 37.83 35.69 2qwu s LYS 132 CO 0.12 -0.87 2.25 1.79 -0.76 0.00 0.00 175.35 177.88 2qwu h THR 133 N -0.30 0.36 -0.38 2.17 1.35 -1.63 -0.44 112.91 114.04 2qwu h THR 133 Ca -0.45 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 2qwu h THR 133 Cb 1.28 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2qwu h THR 133 CO 0.60 0.02 0.00 -0.90 -0.25 0.00 0.00 175.52 174.99 2qwu n ASP 134 N -3.56 3.81 -3.46 5.36 5.75 -1.26 -4.94 116.55 118.25 2qwu n ASP 134 Ca -0.03 -2.51 -0.18 0.00 -0.01 0.00 0.00 54.79 52.07 2qwu n ASP 134 Cb 0.12 -0.57 0.07 0.00 -1.03 0.00 0.00 41.12 39.70 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 0.47 -5.39 -3.87 0.11 1.02 -0.17 -4.99 120.64 107.82 2qwu n GLU 135 Ca 0.17 0.79 -0.11 0.00 -0.02 0.00 0.00 57.16 58.00 2qwu n GLU 135 Cb 0.79 -5.67 -0.10 0.00 -0.02 0.00 0.00 31.44 26.44 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 -3.43 -0.33 0.31 0.62 0.00 -1.25 -4.97 121.76 112.71 2qwu s ALA 136 Ca 0.09 -0.12 -0.21 0.00 0.00 0.00 0.00 51.96 51.72 2qwu s ALA 136 Cb -0.01 0.10 -0.09 0.00 0.00 0.00 0.00 23.12 23.11 2qwu s ALA 136 CO 0.75 -0.20 0.84 -1.58 0.00 0.00 0.00 175.76 175.57 2qwu s TRP 137 N -1.34 3.56 0.34 0.00 0.52 -1.26 -0.86 118.94 119.90 2qwu s TRP 137 Ca -0.14 1.53 -0.08 0.00 0.02 0.00 0.00 56.10 57.42 2qwu s TRP 137 Cb -0.07 -2.74 0.02 0.00 -1.15 0.00 0.00 33.47 29.52 2qwu s TRP 137 CO 0.02 0.18 0.58 0.20 0.02 0.00 0.00 176.95 177.95 2qwu s GLY 138 N -1.83 0.98 0.00 0.98 0.00 -0.39 -4.90 107.32 102.15 2qwu s GLY 138 Ca 0.50 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 44.06 2qwu s GLY 138 CO 0.20 -0.71 0.00 0.29 0.00 0.00 0.00 173.10 172.88 2qwu n ILE 139 N -0.53 0.00 -2.20 0.90 -5.35 -1.19 -1.19 119.36 109.80 2qwu n ILE 139 Ca -0.02 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.05 2qwu n ILE 139 Cb 0.61 -1.85 -0.03 0.00 -1.74 0.00 0.00 39.64 36.63 2qwu n ILE 139 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 2qwu s ILE 141 N 0.28 2.96 -0.47 7.28 2.07 -1.26 -4.08 121.20 127.98 2qwu s ILE 141 Ca 0.00 0.92 -0.17 0.00 -1.41 0.00 0.00 60.65 59.99 2qwu s ILE 141 Cb 0.00 -3.58 0.05 0.00 0.13 0.00 0.00 42.46 39.05 2qwu s ILE 141 CO 0.00 0.20 0.48 -0.62 -1.91 0.00 0.00 174.94 173.09 2qwu s ASP 142 N -0.34 6.19 0.00 4.50 -1.08 -0.27 -4.88 116.67 120.79 2qwu s ASP 142 Ca 0.50 -0.96 0.21 0.00 -0.52 0.00 0.00 52.55 51.78 2qwu s ASP 142 Cb -0.38 -2.23 0.54 0.00 -1.46 0.00 0.00 42.92 39.39 2qwu s ASP 142 CO 0.47 -0.70 1.45 0.18 0.52 0.00 0.00 175.17 177.08 2qwu n LEU 143 N 5.66 2.71 -4.64 -1.34 4.77 -1.26 -4.33 117.00 118.56 2qwu n LEU 143 Ca -0.09 -1.21 -0.52 0.00 -0.03 0.00 0.00 56.01 54.17 2qwu n LEU 143 Cb 0.46 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 2qwu n LEU 143 CO 0.49 0.60 1.12 -1.20 -1.33 0.00 0.00 177.39 177.07 2qwu n SER 144 N 1.00 2.28 -1.43 -1.43 7.64 -1.25 -1.59 113.62 118.83 2qwu n SER 144 Ca 0.18 1.09 -0.19 0.00 1.01 0.00 0.00 58.87 60.96 2qwu n SER 144 Cb 0.47 -1.24 -0.08 0.00 -1.01 0.00 0.00 64.21 62.35 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 3.81 -5.37 -4.73 6.43 3.02 -0.52 -4.94 115.26 112.95 2qwu n ASN 145 Ca 0.20 0.46 -0.42 0.00 -0.03 0.00 0.00 54.58 54.80 2qwu n ASN 145 Cb 0.21 -4.51 -0.03 0.00 -0.61 0.00 0.00 39.78 34.84 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 -4.25 4.39 -0.24 3.41 2.96 -0.62 -4.71 118.68 119.61 2qwu s LEU 146 Ca 0.00 2.54 -0.06 0.00 -0.22 0.00 0.00 54.13 56.39 2qwu s LEU 146 Cb 0.00 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.06 2qwu s LEU 146 CO 0.00 -0.67 0.03 -1.61 -1.32 0.00 0.00 176.35 172.79 2qwu s GLU 147 N 0.15 3.53 0.14 1.98 2.02 -1.26 -1.32 118.70 123.94 2qwu s GLU 147 Ca 0.61 -0.55 0.08 0.00 0.02 0.00 0.00 54.97 55.13 2qwu s GLU 147 Cb -0.40 -3.22 -0.04 0.00 0.10 0.00 0.00 34.13 30.57 2qwu s GLU 147 CO 0.38 -0.21 -0.08 -0.51 0.02 0.00 0.00 175.26 174.87 2qwu s LEU 148 N 1.56 3.08 0.14 1.80 1.43 0.90 -4.43 118.68 123.16 2qwu s LEU 148 Ca 0.06 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 52.58 2qwu s LEU 148 Cb -0.15 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.28 2qwu s LEU 148 CO 0.01 0.14 0.36 -0.72 0.23 0.00 0.00 176.35 176.36 2qwu s TYR 149 N -1.47 0.04 0.32 0.29 -0.85 -0.66 -0.99 117.35 114.03 2qwu s TYR 149 Ca 0.24 -0.40 -0.29 0.00 -0.52 0.00 0.00 57.07 56.10 2qwu s TYR 149 Cb -0.10 0.14 -0.10 0.00 0.38 0.00 0.00 41.96 42.28 2qwu s TYR 149 CO 0.15 -0.72 1.29 -2.14 -1.52 0.00 0.00 175.55 172.61 2qwu s PRO 150 N -3.87 4.38 0.14 -3.49 0.02 -1.26 -1.06 135.00 129.86 2qwu s PRO 150 Ca 0.08 2.17 -0.14 0.00 0.02 0.00 0.00 61.00 63.13 2qwu s PRO 150 Cb 0.02 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.46 2qwu s PRO 150 CO -0.07 -0.15 1.63 0.82 -0.33 0.00 0.00 177.00 178.90 2qwu h ILE 151 N 3.06 1.24 -2.29 2.83 2.04 -1.39 -3.43 117.51 119.58 2qwu h ILE 151 Ca -0.49 -0.86 0.16 0.00 1.00 0.00 0.00 64.86 64.68 2qwu h ILE 151 Cb 1.22 0.94 -0.10 0.00 -0.74 0.00 0.00 36.82 38.14 2qwu h ILE 151 CO 0.66 0.30 0.50 -0.94 0.00 0.00 0.00 178.15 178.67 2qwu s SER 152 N -6.10 -0.23 0.24 1.72 1.04 -1.26 -5.01 113.70 104.10 2qwu s SER 152 Ca -0.13 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2qwu s SER 152 Cb 0.11 0.44 0.27 0.00 0.10 0.00 0.00 66.02 66.94 2qwu s SER 152 CO 0.78 -0.80 1.63 0.00 0.98 0.00 0.00 173.24 175.83 2qwu h ALA 153 N 2.00 0.92 -0.40 5.32 0.00 -1.93 -2.24 119.26 122.93 2qwu h ALA 153 Ca -0.24 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 2qwu h ALA 153 Cb 1.23 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2qwu h ALA 153 CO 0.27 0.63 -0.07 -0.22 0.00 0.00 0.00 179.25 179.85 2qwu h LYS 154 N 0.43 0.67 0.00 0.00 3.64 -2.00 -3.16 116.57 116.15 2qwu h LYS 154 Ca 0.04 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 2qwu h LYS 154 Cb 0.86 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.60 2qwu h LYS 154 CO 0.07 0.74 -0.63 0.00 -2.27 0.00 0.00 179.45 177.36 2qwu h ALA 155 N 1.30 0.71 -2.70 5.00 0.00 -1.87 -3.47 119.26 118.23 2qwu h ALA 155 Ca 0.12 -0.14 -0.50 0.00 0.00 0.00 0.00 54.91 54.38 2qwu h ALA 155 Cb 0.50 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2qwu h ALA 155 CO 0.03 0.17 0.28 0.12 0.00 0.00 0.00 179.25 179.84 2qwu s PHE 156 N -3.22 3.91 -0.12 0.00 5.36 -0.86 -3.70 117.98 119.36 2qwu s PHE 156 Ca 0.02 1.78 -0.24 0.00 -0.96 0.00 0.00 56.93 57.53 2qwu s PHE 156 Cb 0.08 -2.88 0.06 0.00 -0.34 0.00 0.00 43.02 39.93 2qwu s PHE 156 CO 0.74 0.44 0.60 -1.54 -1.46 0.00 0.00 175.22 174.00 2qwu s SER 157 N -1.24 -0.58 -0.12 6.13 1.04 -0.94 -4.98 113.70 113.01 2qwu s SER 157 Ca 0.40 0.83 -0.08 0.00 0.48 0.00 0.00 55.95 57.58 2qwu s SER 157 Cb -0.24 0.80 0.04 0.00 0.10 0.00 0.00 66.02 66.72 2qwu s SER 157 CO 0.29 -0.42 0.29 -0.51 0.98 0.00 0.00 173.24 173.87 2qwu s ILE 158 N -0.59 -0.02 0.04 -1.02 2.07 -1.26 -1.19 121.20 119.23 2qwu s ILE 158 Ca -0.07 0.06 0.02 0.00 -1.41 0.00 0.00 60.65 59.25 2qwu s ILE 158 Cb -0.03 -0.43 -0.02 0.00 0.13 0.00 0.00 42.46 42.12 2qwu s ILE 158 CO 0.05 0.02 -0.08 -0.94 -1.91 0.00 0.00 174.94 172.09 2qwu s SER 159 N 0.65 0.85 -0.09 4.50 1.04 -0.58 -5.00 113.70 115.08 2qwu s SER 159 Ca -0.04 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 55.92 2qwu s SER 159 Cb -0.05 0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.10 2qwu s SER 159 CO -0.04 -0.15 -0.08 -0.63 0.98 0.00 0.00 173.24 173.31 2qwu s ILE 160 N -1.16 0.96 -0.07 -1.02 1.01 -1.26 -0.75 121.20 118.91 2qwu s ILE 160 Ca -0.08 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.29 2qwu s ILE 160 Cb -0.09 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.44 2qwu s ILE 160 CO 0.00 0.34 -0.13 -1.61 0.00 0.00 0.00 174.94 173.54 2qwu s GLU 161 N 1.26 1.85 0.50 2.79 0.41 -0.30 -4.96 118.70 120.26 2qwu s GLU 161 Ca -0.04 -0.46 -0.21 0.00 -0.41 0.00 0.00 54.97 53.86 2qwu s GLU 161 Cb -0.14 -1.53 -0.07 0.00 -1.78 0.00 0.00 34.13 30.61 2qwu s GLU 161 CO -0.03 0.02 1.10 -1.25 -0.49 0.00 0.00 175.26 174.62 2qwu s PRO 162 N 0.70 3.62 0.23 0.39 0.04 -1.26 -0.49 135.00 138.23 2qwu s PRO 162 Ca -0.14 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2qwu s PRO 162 Cb -0.16 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 2qwu s PRO 162 CO 0.03 -0.62 0.11 0.95 0.04 0.00 0.00 177.00 177.52 2qwu s THR 163 N -1.78 0.28 -1.30 1.26 -4.23 -0.15 -4.86 115.64 104.86 2qwu s THR 163 Ca 0.68 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.37 2qwu s THR 163 Cb -0.22 -2.55 0.56 0.00 1.34 0.00 0.00 72.50 71.63 2qwu s THR 163 CO 0.26 -0.02 1.47 -0.62 -0.54 0.00 0.00 174.62 175.18 2qwu n GLU 164 N -0.36 3.07 0.00 3.99 -0.58 -1.26 -3.92 120.64 121.58 2qwu n GLU 164 Ca 0.01 -2.56 0.00 0.00 -0.42 0.00 0.00 57.16 54.18 2qwu n GLU 164 Cb 0.66 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 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 1.02 0.00 0.00 -4.62 4.77 -1.26 -4.84 117.00 112.07 2qwu n LEU 165 Ca 0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2qwu n LEU 165 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 2qwu n LEU 165 CO 0.16 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 2qwu n GLY 167 N 0.49 5.69 2.95 -0.72 0.00 -1.26 -5.05 105.19 107.30 2qwu n GLY 167 Ca 0.00 -1.87 -0.25 0.00 0.00 0.00 0.00 46.02 43.90 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 1.76 1.03 0.89 1.61 1.01 -1.26 -4.45 120.40 121.00 2qwu s VAL 168 Ca 0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 2qwu s VAL 168 Cb 0.00 -1.00 0.13 0.00 0.00 0.00 0.00 36.38 35.51 2qwu s VAL 168 CO 0.00 0.35 1.12 -0.94 0.00 0.00 0.00 175.10 175.63 2qwu s SER 169 N 1.19 3.62 0.46 3.32 1.04 -1.26 -4.87 113.70 117.21 2qwu s SER 169 Ca -0.05 1.10 0.17 0.00 0.48 0.00 0.00 55.95 57.65 2qwu s SER 169 Cb -0.14 -1.73 1.14 0.00 0.10 0.00 0.00 66.02 65.39 2qwu s SER 169 CO -0.02 -2.49 1.99 0.50 0.98 0.00 0.00 173.24 174.19 2qwu h LYS 170 N -1.46 0.27 -0.52 4.02 3.64 -2.07 0.21 116.57 120.67 2qwu h LYS 170 Ca -0.50 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2qwu h LYS 170 Cb 1.31 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2qwu h LYS 170 CO 0.60 0.18 0.00 -0.40 -2.27 0.00 0.00 179.45 177.56 2qwu n ASP 171 N -4.45 2.78 -1.13 4.20 5.68 -1.26 -5.25 116.55 117.13 2qwu n ASP 171 Ca 0.09 -2.04 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 2qwu n ASP 171 Cb 0.42 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 2qwu n ASP 171 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qwu n GLY 172 N 1.24 -2.17 3.64 6.12 0.00 0.74 -4.97 105.19 109.78 2qwu n GLY 172 Ca 0.17 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.11 0.08 -0.21 1.61 0.52 -0.52 -4.52 118.95 115.80 2qwu s ARG 174 Ca 0.00 -0.00 -0.29 0.00 -0.52 0.00 0.00 55.73 54.91 2qwu s ARG 174 Cb 0.00 0.04 -0.00 0.00 0.52 0.00 0.00 34.95 35.51 2qwu s ARG 174 CO 0.00 -0.03 1.16 -0.47 0.02 0.00 0.00 175.30 175.98 2qwu s TYR 175 N -1.51 3.06 -0.01 -0.53 5.04 -1.25 -1.76 117.35 120.39 2qwu s TYR 175 Ca 0.10 1.20 0.02 0.00 -2.44 0.00 0.00 57.07 55.94 2qwu s TYR 175 Cb -0.01 -3.46 -0.03 0.00 0.35 0.00 0.00 41.96 38.81 2qwu s TYR 175 CO -0.05 -1.13 -0.04 -1.01 -1.34 0.00 0.00 175.55 171.98 2qwu s HIS 176 N 3.46 2.99 -0.23 4.97 3.76 0.15 -0.97 115.29 129.42 2qwu s HIS 176 Ca 0.50 0.03 -0.09 0.00 -0.15 0.00 0.00 55.06 55.35 2qwu s HIS 176 Cb -0.18 -1.66 -0.04 0.00 1.11 0.00 0.00 32.58 31.81 2qwu s HIS 176 CO 0.12 0.41 0.11 0.42 -0.85 0.00 0.00 174.74 174.95 2qwu s ILE 177 N -1.00 4.88 -0.29 0.60 -1.09 0.36 -1.23 121.20 123.42 2qwu s ILE 177 Ca 0.17 0.01 -0.10 0.00 -2.23 0.00 0.00 60.65 58.51 2qwu s ILE 177 Cb -0.11 -3.26 -0.02 0.00 -1.58 0.00 0.00 42.46 37.49 2qwu s ILE 177 CO 0.08 0.37 0.15 -0.63 -1.23 0.00 0.00 174.94 173.67 2qwu s ILE 178 N 1.06 4.73 -0.22 2.92 1.01 0.89 -1.15 121.20 130.44 2qwu s ILE 178 Ca 0.05 -0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 2qwu s ILE 178 Cb -0.14 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 38.98 2qwu s ILE 178 CO 0.04 0.16 -0.01 -0.44 0.00 0.00 0.00 174.94 174.68 2qwu s SER 179 N 1.65 4.60 -0.02 3.58 0.01 0.07 -0.62 113.70 122.96 2qwu s SER 179 Ca 0.06 -0.30 0.05 0.00 1.31 0.00 0.00 55.95 57.06 2qwu s SER 179 Cb -0.16 -1.80 -0.01 0.00 0.21 0.00 0.00 66.02 64.26 2qwu s SER 179 CO 0.07 0.00 -0.16 -0.63 0.41 0.00 0.00 173.24 172.93 2qwu s ILE 180 N 1.37 1.28 0.15 1.44 1.01 0.10 -1.53 121.20 125.03 2qwu s ILE 180 Ca 0.04 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.05 2qwu s ILE 180 Cb -0.15 -1.08 -0.05 0.00 0.01 0.00 0.00 42.46 41.20 2qwu s ILE 180 CO -0.00 0.37 -0.05 -1.81 0.00 0.00 0.00 174.94 173.45 2qwu s ASP 181 N -0.21 1.42 -0.37 3.58 1.01 -0.34 -1.23 116.67 120.54 2qwu s ASP 181 Ca 0.03 -1.09 -0.01 0.00 0.71 0.00 0.00 52.55 52.19 2qwu s ASP 181 Cb -0.08 0.06 0.00 0.00 1.01 0.00 0.00 42.92 43.92 2qwu s ASP 181 CO 0.00 -0.47 0.16 0.61 0.21 0.00 0.00 175.17 175.68 2qwu n GLY 182 N -0.19 0.41 3.83 0.21 0.00 -1.20 -2.22 105.19 106.03 2qwu n GLY 182 Ca -0.09 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.04 3.68 0.00 0.99 1.43 -0.49 -1.09 118.68 121.16 2qwu s LEU 183 Ca 0.08 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 2qwu s LEU 183 Cb -0.03 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 43.93 2qwu s LEU 183 CO 0.10 -0.20 0.46 1.07 0.23 0.00 0.00 176.35 178.01 2qwu n THR 184 N -1.27 0.00 -3.72 5.49 5.66 -0.22 -0.52 114.28 119.70 2qwu n THR 184 Ca -0.05 -1.79 -0.11 0.00 -3.05 0.00 0.00 64.05 59.06 2qwu n THR 184 Cb 0.59 1.08 -0.06 0.00 -1.55 0.00 0.00 70.33 70.39 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 -2.85 0.09 -1.75 1.09 -1.32 -1.26 -1.66 115.64 107.98 2qwu s THR 185 Ca 0.29 -0.73 0.26 0.00 -1.21 0.00 0.00 61.69 60.29 2qwu s THR 185 Cb -0.01 -1.12 0.20 0.00 -1.51 0.00 0.00 72.50 70.06 2qwu s THR 185 CO 0.21 -0.40 1.46 -1.20 -2.21 0.00 0.00 174.62 172.47 2qwu n SER 186 N 0.13 1.18 -4.70 8.08 7.64 -1.26 -4.52 113.62 120.17 2qwu n SER 186 Ca -0.17 -0.97 -0.42 0.00 1.01 0.00 0.00 58.87 58.32 2qwu n SER 186 Cb 0.62 0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 64.01 2qwu n SER 186 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2qwu s GLN 187 N -2.53 4.37 0.05 1.43 0.74 -1.26 -4.94 119.66 117.52 2qwu s GLN 187 Ca 0.22 1.79 0.26 0.00 0.05 0.00 0.00 55.36 57.69 2qwu s GLN 187 Cb 0.19 -3.45 0.70 0.00 1.10 0.00 0.00 33.01 31.56 2qwu s GLN 187 CO 0.55 -0.38 1.57 0.41 -0.55 0.00 0.00 175.29 176.88 2qwu n GLY 188 N 3.36 -1.40 3.43 2.59 0.00 -1.26 -4.56 105.19 107.34 2qwu n GLY 188 Ca 0.10 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.42 -0.26 -0.00 1.61 1.04 -1.26 -0.91 113.70 110.50 2qwu s SER 189 Ca 0.11 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.14 2qwu s SER 189 Cb 0.16 0.53 -0.00 0.00 0.10 0.00 0.00 66.02 66.82 2qwu s SER 189 CO 0.65 -0.96 -0.02 -0.76 0.98 0.00 0.00 173.24 173.13 2qwu s LEU 190 N -2.84 2.01 0.31 2.42 1.43 -0.19 -4.93 118.68 116.88 2qwu s LEU 190 Ca 0.07 -0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 52.84 2qwu s LEU 190 Cb 0.00 -0.08 -0.10 0.00 0.03 0.00 0.00 46.19 46.05 2qwu s LEU 190 CO -0.07 0.01 1.19 -2.84 0.23 0.00 0.00 176.35 174.87 2qwu s PRO 191 N -0.07 4.50 0.18 1.29 0.02 -1.26 -0.37 135.00 139.28 2qwu s PRO 191 Ca 0.00 1.98 -0.01 0.00 0.02 0.00 0.00 61.00 63.00 2qwu s PRO 191 Cb -0.01 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.35 2qwu s PRO 191 CO -0.00 0.02 0.10 0.14 -0.33 0.00 0.00 177.00 176.93 2qwu s VAL 192 N -1.16 0.09 -0.10 3.83 -7.23 -0.03 -1.12 120.40 114.68 2qwu s VAL 192 Ca 0.47 -1.97 -0.08 0.00 -1.81 0.00 0.00 61.98 58.59 2qwu s VAL 192 Cb -0.35 -2.35 0.03 0.00 0.56 0.00 0.00 36.38 34.26 2qwu s VAL 192 CO 0.46 -0.16 0.25 0.00 -0.31 0.00 0.00 175.10 175.34 2qwu h ALA 195 N -1.25 -0.28 -2.39 0.00 0.00 -1.86 -3.44 119.26 110.05 2qwu h ALA 195 Ca 0.00 -0.07 -0.51 0.00 0.00 0.00 0.00 54.91 54.33 2qwu h ALA 195 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2qwu h ALA 195 CO 0.00 -0.65 -0.35 0.00 0.00 0.00 0.00 179.25 178.26 2qwu s ALA 196 N -6.05 3.85 0.07 0.00 0.00 -1.26 -1.71 121.76 116.65 2qwu s ALA 196 Ca -0.14 -0.97 0.31 0.00 0.00 0.00 0.00 51.96 51.16 2qwu s ALA 196 Cb 0.05 -1.92 1.56 0.00 0.00 0.00 0.00 23.12 22.81 2qwu s ALA 196 CO 0.64 0.31 1.95 0.66 0.00 0.00 0.00 175.76 179.33 2qwu h SER 197 N 1.58 0.00 0.02 0.00 4.64 -1.86 -1.34 113.55 116.59 2qwu h SER 197 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2qwu h SER 197 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2qwu h SER 197 CO 0.65 0.00 -0.14 0.35 -0.87 0.00 0.00 176.83 176.82 2qwu n THR 198 N -2.66 0.00 -1.95 2.95 -2.24 -1.26 -4.59 114.28 104.53 2qwu n THR 198 Ca -0.01 -0.32 -0.37 0.00 -2.27 0.00 0.00 64.05 61.08 2qwu n THR 198 Cb 0.13 1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.35 2qwu n THR 198 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2qwu n ASP 199 N 0.44 7.60 -4.84 3.42 -0.08 -0.51 -4.98 116.55 117.60 2qwu n ASP 199 Ca 0.14 -3.24 -0.32 0.00 -1.51 0.00 0.00 54.79 49.86 2qwu n ASP 199 Cb 0.47 -1.30 -0.05 0.00 2.34 0.00 0.00 41.12 42.58 2qwu n ASP 199 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2qwu s LYS 200 N -1.73 4.04 0.31 -0.67 1.02 -1.26 -1.32 119.74 120.13 2qwu s LYS 200 Ca 0.54 0.99 -0.18 0.00 0.02 0.00 0.00 55.97 57.34 2qwu s LYS 200 Cb 0.24 -2.16 0.03 0.00 -0.52 0.00 0.00 37.83 35.41 2qwu s LYS 200 CO -0.14 -0.17 0.71 0.20 -0.92 0.00 0.00 175.35 175.03 2qwu s GLY 201 N -2.76 0.18 -0.27 -3.33 0.00 -0.46 -4.96 107.32 95.71 2qwu s GLY 201 Ca 0.60 -0.55 0.02 0.00 0.00 0.00 0.00 44.72 44.79 2qwu s GLY 201 CO 0.25 -0.24 -0.04 0.14 0.00 0.00 0.00 173.10 173.20 2qwu s VAL 202 N -3.36 1.88 -0.21 1.40 1.01 -1.26 -0.85 120.40 119.00 2qwu s VAL 202 Ca 0.14 -1.62 -0.29 0.00 0.00 0.00 0.00 61.98 60.21 2qwu s VAL 202 Cb -0.05 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.18 2qwu s VAL 202 CO 0.09 -0.22 1.03 0.00 0.00 0.00 0.00 175.10 176.00 2qwu s ALA 203 N 1.20 3.64 -0.07 5.51 0.00 0.50 -4.85 121.76 127.69 2qwu s ALA 203 Ca -0.02 0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.84 2qwu s ALA 203 Cb -0.19 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 2qwu s ALA 203 CO -0.07 -0.97 1.03 0.21 0.00 0.00 0.00 175.76 175.95 2qwu s LYS 204 N 3.00 4.45 0.00 0.00 2.20 -1.26 -1.02 119.74 127.10 2qwu s LYS 204 Ca 0.44 1.44 0.00 0.00 -0.36 0.00 0.00 55.97 57.49 2qwu s LYS 204 Cb -0.16 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 2qwu s LYS 204 CO 0.08 -0.27 0.00 0.44 -0.36 0.00 0.00 175.35 175.24 2qwu n ILE 205 N 4.40 0.00 -2.35 5.43 -5.35 -0.09 -4.76 119.36 116.64 2qwu n ILE 205 Ca 0.08 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 2qwu n ILE 205 Cb 0.49 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 39.30 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 1.10 3.74 3.74 3.28 0.00 -0.99 -1.27 105.19 114.79 2qwu n GLY 206 Ca 0.00 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.37 3.05 -0.21 1.61 5.04 -0.65 -4.81 117.35 119.00 2qwu s TYR 207 Ca 0.00 1.00 -0.01 0.00 -2.44 0.00 0.00 57.07 55.62 2qwu s TYR 207 Cb 0.00 -3.81 0.06 0.00 0.35 0.00 0.00 41.96 38.56 2qwu s TYR 207 CO 0.00 -2.67 -0.02 0.42 -1.34 0.00 0.00 175.55 171.94 2qwu s ILE 208 N 0.14 1.08 -2.00 3.14 1.01 -1.26 -4.43 121.20 118.87 2qwu s ILE 208 Ca 0.60 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 60.37 2qwu s ILE 208 Cb -0.41 -1.44 0.05 0.00 0.01 0.00 0.00 42.46 40.67 2qwu s ILE 208 CO 0.41 -0.13 0.60 0.00 0.00 0.00 0.00 174.94 175.82