#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mug s ALA 3 N 0.00 2.94 0.59 -1.46 0.00 -1.26 -4.80 121.76 117.78 3mug s ALA 3 Ca 0.00 -1.21 -0.17 0.00 0.00 0.00 0.00 51.96 50.59 3mug s ALA 3 Cb 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 3mug s ALA 3 CO 0.00 0.63 1.09 -0.51 0.00 0.00 0.00 175.76 176.97 3mug s LEU 4 N -2.04 3.54 -0.25 0.00 1.43 -0.76 -4.94 118.68 115.67 3mug s LEU 4 Ca 0.20 1.96 -0.10 0.00 -1.03 0.00 0.00 54.13 55.16 3mug s LEU 4 Cb -0.11 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.51 3mug s LEU 4 CO 0.12 -1.29 0.16 -0.89 0.23 0.00 0.00 176.35 174.68 3mug s THR 5 N -2.24 5.21 0.09 5.49 2.01 0.10 -2.64 115.64 123.68 3mug s THR 5 Ca 0.67 0.13 0.06 0.00 0.31 0.00 0.00 61.69 62.86 3mug s THR 5 Cb -0.19 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 3mug s THR 5 CO 0.35 0.32 -0.17 -1.10 -0.69 0.00 0.00 174.62 173.33 3mug s GLN 6 N 1.30 0.98 0.41 4.92 -0.21 -1.26 -0.09 119.66 125.71 3mug s GLN 6 Ca 0.07 -1.09 -0.25 0.00 0.02 0.00 0.00 55.36 54.10 3mug s GLN 6 Cb -0.14 -1.05 -0.08 0.00 1.00 0.00 0.00 33.01 32.73 3mug s GLN 6 CO 0.06 0.23 1.23 -1.25 -2.12 0.00 0.00 175.29 173.45 3mug s PRO 7 N -2.00 3.95 0.32 2.91 0.04 -1.26 -4.82 135.00 134.14 3mug s PRO 7 Ca 0.03 1.99 0.04 0.00 0.04 0.00 0.00 61.00 63.11 3mug s PRO 7 Cb -0.09 -2.67 0.54 0.00 0.04 0.00 0.00 34.50 32.32 3mug s PRO 7 CO 0.03 -0.45 1.81 0.00 0.04 0.00 0.00 177.00 178.43 3mug h ALA 8 N 2.55 1.27 -3.43 8.56 0.00 -1.96 -3.36 119.26 122.89 3mug h ALA 8 Ca -0.49 -0.26 -0.22 0.00 0.00 0.00 0.00 54.91 53.94 3mug h ALA 8 Cb 1.24 -0.13 -0.28 0.00 0.00 0.00 0.00 17.79 18.62 3mug h ALA 8 CO 0.62 0.48 -0.60 0.45 0.00 0.00 0.00 179.25 180.20 3mug s SER 9 N -6.78 -0.10 -0.02 0.00 0.15 -1.26 -1.47 113.70 104.21 3mug s SER 9 Ca -0.07 0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.81 3mug s SER 9 Cb 0.15 0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.67 3mug s SER 9 CO 0.77 -0.06 -0.01 -0.69 1.20 0.00 0.00 173.24 174.45 3mug s VAL 11 N 0.34 0.20 0.06 4.45 1.01 -0.58 -4.93 120.40 120.95 3mug s VAL 11 Ca -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 3mug s VAL 11 Cb -0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 3mug s VAL 11 CO -0.01 0.12 -0.04 -0.94 0.00 0.00 0.00 175.10 174.23 3mug s SER 12 N 0.66 0.64 0.12 3.32 1.04 -1.26 -2.12 113.70 116.09 3mug s SER 12 Ca -0.07 -0.94 -0.25 0.00 0.48 0.00 0.00 55.95 55.17 3mug s SER 12 Cb -0.10 0.16 0.07 0.00 0.10 0.00 0.00 66.02 66.25 3mug s SER 12 CO -0.01 -0.53 0.88 -0.83 0.98 0.00 0.00 173.24 173.73 3mug s GLY 13 N -2.78 -0.32 0.46 7.32 0.00 -0.91 -4.98 107.32 106.11 3mug s GLY 13 Ca 0.06 0.37 -0.11 0.00 0.00 0.00 0.00 44.72 45.04 3mug s GLY 13 CO -0.08 0.10 0.84 -0.56 0.00 0.00 0.00 173.10 173.41 3mug s SER 14 N -2.79 6.46 0.22 1.64 0.01 -1.26 -1.16 113.70 116.82 3mug s SER 14 Ca 0.09 1.21 -0.32 0.00 1.31 0.00 0.00 55.95 58.24 3mug s SER 14 Cb -0.02 -2.36 -0.14 0.00 0.21 0.00 0.00 66.02 63.71 3mug s SER 14 CO -0.02 -0.52 1.37 -2.65 0.41 0.00 0.00 173.24 171.82 3mug n PRO 15 N -1.70 1.85 0.00 12.44 -0.02 -1.26 -1.82 135.00 144.48 3mug n PRO 15 Ca 0.03 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3mug n PRO 15 Cb 0.54 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3mug n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mug n GLY 16 N 2.20 3.23 3.68 -1.23 0.00 0.11 -4.86 105.19 108.31 3mug n GLY 16 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3mug n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mug s GLN 17 N -0.52 0.76 -0.17 1.61 -0.21 -0.76 -3.35 119.66 117.03 3mug s GLN 17 Ca 0.00 0.75 -0.01 0.00 0.02 0.00 0.00 55.36 56.13 3mug s GLN 17 Cb 0.00 -1.76 -0.00 0.00 1.00 0.00 0.00 33.01 32.25 3mug s GLN 17 CO 0.00 -2.56 -0.12 0.99 -2.12 0.00 0.00 175.29 171.47 3mug s THR 18 N -2.89 2.88 0.20 -0.19 2.01 -1.26 -0.95 115.64 115.45 3mug s THR 18 Ca 0.65 -0.69 0.11 0.00 0.31 0.00 0.00 61.69 62.06 3mug s THR 18 Cb -0.19 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 3mug s THR 18 CO 0.58 0.50 -0.22 -0.51 -0.69 0.00 0.00 174.62 174.28 3mug s ILE 19 N 0.92 2.23 -0.02 1.82 1.10 -0.51 -4.98 121.20 121.75 3mug s ILE 19 Ca -0.03 -2.06 0.03 0.00 -0.51 0.00 0.00 60.65 58.08 3mug s ILE 19 Cb -0.15 -2.08 -0.00 0.00 0.15 0.00 0.00 42.46 40.38 3mug s ILE 19 CO -0.01 -0.22 -0.10 -0.89 -2.11 0.00 0.00 174.94 171.61 3mug s THR 20 N -1.91 0.86 -0.17 4.00 2.01 -1.26 -1.13 115.64 118.04 3mug s THR 20 Ca 0.21 -0.42 -0.00 0.00 0.31 0.00 0.00 61.69 61.78 3mug s THR 20 Cb -0.07 -0.75 0.00 0.00 0.01 0.00 0.00 72.50 71.70 3mug s THR 20 CO 0.10 0.26 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.51 3mug s ILE 21 N 0.02 2.67 0.25 1.82 1.01 0.11 -4.97 121.20 122.11 3mug s ILE 21 Ca -0.01 -0.76 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 3mug s ILE 21 Cb -0.07 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 3mug s ILE 21 CO 0.00 0.51 0.46 -0.94 0.00 0.00 0.00 174.94 174.97 3mug s SER 22 N 0.95 6.40 -0.27 3.58 1.04 -1.26 -0.85 113.70 123.28 3mug s SER 22 Ca -0.03 0.51 -0.03 0.00 0.48 0.00 0.00 55.95 56.88 3mug s SER 22 Cb -0.15 -2.06 0.11 0.00 0.10 0.00 0.00 66.02 64.02 3mug s SER 22 CO -0.02 -0.12 0.20 0.00 0.98 0.00 0.00 173.24 174.28 3mug s ASN 24 N 2.23 6.48 0.00 0.00 0.01 0.87 -1.12 114.94 123.41 3mug s ASN 24 Ca 0.08 0.57 0.00 0.00 -0.71 0.00 0.00 52.86 52.80 3mug s ASN 24 Cb -0.15 -2.27 0.00 0.00 0.41 0.00 0.00 41.25 39.24 3mug s ASN 24 CO -0.30 -0.18 0.00 0.61 -1.51 0.00 0.00 177.10 175.72 3mug n GLY 25 N 4.09 5.86 0.00 0.66 0.00 0.66 -0.72 105.19 115.74 3mug n GLY 25 Ca -0.06 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.26 3mug n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mug n THR 26 N 0.00 0.00 0.00 2.61 -2.24 -1.26 -4.84 114.28 108.55 3mug n THR 26 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3mug n THR 26 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3mug n THR 26 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3mug n SER 27 N 0.00 0.00 0.00 3.42 3.41 -1.26 -0.41 113.62 118.78 3mug n SER 27 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3mug n SER 27 Cb 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 3mug n SER 27 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3mug n ASP 27 N 0.12 0.00 0.02 4.04 5.68 -1.26 -1.12 116.55 124.03 3mug n ASP 27 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.19 3mug n ASP 27 Cb 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 3mug n ASP 27 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 3mug h VAL 27 N 0.00 0.84 0.00 2.12 2.07 -1.71 -2.37 116.25 117.21 3mug h VAL 27 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3mug h VAL 27 Cb 0.00 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3mug h VAL 27 CO 0.00 0.00 0.00 1.23 0.02 0.00 0.00 177.57 178.82 3mug h GLY 28 N -0.06 0.00 1.28 2.17 0.00 -0.84 -3.30 103.07 102.32 3mug h GLY 28 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.13 3mug h GLY 28 CO -0.11 0.00 -1.44 -1.33 0.00 0.00 0.00 176.54 173.66 3mug h GLY 29 N 2.87 0.00 -3.06 4.60 0.00 -1.54 -3.48 103.07 102.46 3mug h GLY 29 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 3mug h GLY 29 CO 0.00 0.00 -0.66 -1.36 0.00 0.00 0.00 176.54 174.52 3mug s PHE 30 N -2.68 0.70 -0.91 5.60 0.08 -0.95 -4.97 117.98 114.85 3mug s PHE 30 Ca -0.03 -1.15 -0.02 0.00 0.12 0.00 0.00 56.93 55.85 3mug s PHE 30 Cb 0.09 -0.44 0.32 0.00 -0.57 0.00 0.00 43.02 42.42 3mug s PHE 30 CO 0.82 -0.45 1.99 -0.25 -0.10 0.00 0.00 175.22 177.23 3mug n ASP 31 N 0.00 7.45 -2.50 1.36 9.92 -1.26 -4.69 116.55 126.84 3mug n ASP 31 Ca -0.10 -3.74 -0.20 0.00 -0.53 0.00 0.00 54.79 50.22 3mug n ASP 31 Cb 0.62 -1.12 0.01 0.00 -0.64 0.00 0.00 41.12 40.00 3mug n ASP 31 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3mug n SER 32 N -0.25 3.66 -4.68 -2.24 7.64 -1.26 -4.16 113.62 112.33 3mug n SER 32 Ca 0.51 -3.35 -0.37 0.00 1.01 0.00 0.00 58.87 56.67 3mug n SER 32 Cb 0.25 -0.47 -0.08 0.00 -1.01 0.00 0.00 64.21 62.91 3mug n SER 32 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3mug s VAL 33 N -4.67 5.27 0.16 0.44 1.01 -1.26 -3.26 120.40 118.08 3mug s VAL 33 Ca 0.41 0.51 0.09 0.00 0.00 0.00 0.00 61.98 62.99 3mug s VAL 33 Cb 0.41 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3mug s VAL 33 CO -0.09 0.31 -0.20 -0.94 0.00 0.00 0.00 175.10 174.18 3mug s SER 34 N 0.93 2.76 -0.02 3.32 1.04 -0.52 -1.50 113.70 119.71 3mug s SER 34 Ca 0.15 -0.83 0.06 0.00 0.48 0.00 0.00 55.95 55.81 3mug s SER 34 Cb -0.14 -0.17 -0.01 0.00 0.10 0.00 0.00 66.02 65.80 3mug s SER 34 CO 0.06 0.01 -0.20 0.26 0.98 0.00 0.00 173.24 174.34 3mug s TRP 35 N -1.81 1.87 -0.03 5.02 0.52 -0.14 -0.41 118.94 123.96 3mug s TRP 35 Ca 0.14 -0.38 0.05 0.00 0.02 0.00 0.00 56.10 55.93 3mug s TRP 35 Cb -0.07 -1.21 -0.01 0.00 -1.15 0.00 0.00 33.47 31.04 3mug s TRP 35 CO 0.07 -0.06 -0.17 0.71 0.02 0.00 0.00 176.95 177.51 3mug s TYR 36 N -0.41 1.66 -0.12 -1.98 1.51 -0.02 -0.30 117.35 117.68 3mug s TYR 36 Ca 0.06 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.69 3mug s TYR 36 Cb -0.09 -1.10 -0.03 0.00 -0.11 0.00 0.00 41.96 40.64 3mug s TYR 36 CO -0.00 -0.10 -0.02 -1.14 -1.11 0.00 0.00 175.55 173.17 3mug s GLN 37 N -0.17 3.32 -0.24 -0.62 0.74 -0.18 -0.56 119.66 121.95 3mug s GLN 37 Ca 0.01 -0.47 0.00 0.00 0.05 0.00 0.00 55.36 54.95 3mug s GLN 37 Cb -0.09 -2.84 0.06 0.00 1.10 0.00 0.00 33.01 31.24 3mug s GLN 37 CO 0.01 0.47 -0.03 -1.14 -0.55 0.00 0.00 175.29 174.05 3mug s GLN 38 N -0.24 1.43 0.22 1.67 0.74 0.64 -1.05 119.66 123.06 3mug s GLN 38 Ca 0.05 -0.97 -0.11 0.00 0.05 0.00 0.00 55.36 54.38 3mug s GLN 38 Cb -0.13 -2.52 -0.07 0.00 1.10 0.00 0.00 33.01 31.39 3mug s GLN 38 CO 0.02 -0.65 0.56 -1.12 -0.55 0.00 0.00 175.29 173.56 3mug s SER 39 N 1.44 6.68 0.19 6.67 0.01 -1.26 -1.43 113.70 126.01 3mug s SER 39 Ca -0.03 0.98 -0.32 0.00 1.31 0.00 0.00 55.95 57.89 3mug s SER 39 Cb -0.19 -2.25 -0.12 0.00 0.21 0.00 0.00 66.02 63.67 3mug s SER 39 CO -0.08 -0.04 1.72 -0.81 0.41 0.00 0.00 173.24 174.44 3mug n PRO 40 N 0.08 2.71 -0.97 12.44 -0.04 -1.26 -1.22 135.00 146.75 3mug n PRO 40 Ca -0.01 0.98 0.00 0.00 -0.04 0.00 0.00 63.50 64.43 3mug n PRO 40 Cb 0.52 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 3mug n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mug n GLY 41 N 3.94 0.49 3.48 0.55 0.00 -1.26 -5.02 105.19 107.37 3mug n GLY 41 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3mug n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mug s LYS 42 N -0.40 1.79 0.57 1.61 3.01 -0.36 -5.13 119.74 120.84 3mug s LYS 42 Ca 0.00 -1.17 -0.19 0.00 -1.01 0.00 0.00 55.97 53.60 3mug s LYS 42 Cb 0.00 -2.10 -0.04 0.00 -1.01 0.00 0.00 37.83 34.67 3mug s LYS 42 CO 0.00 0.49 1.17 0.00 0.51 0.00 0.00 175.35 177.51 3mug s ALA 43 N -1.11 2.61 0.74 5.17 0.00 -1.26 -4.43 121.76 123.48 3mug s ALA 43 Ca 0.17 0.91 -0.15 0.00 0.00 0.00 0.00 51.96 52.89 3mug s ALA 43 Cb -0.11 -3.40 0.04 0.00 0.00 0.00 0.00 23.12 19.65 3mug s ALA 43 CO 0.09 -0.99 1.19 -2.14 0.00 0.00 0.00 175.76 173.92 3mug s PRO 44 N -3.34 2.10 -0.01 0.00 0.02 -1.26 -4.72 135.00 127.80 3mug s PRO 44 Ca 0.75 1.71 0.02 0.00 0.02 0.00 0.00 61.00 63.49 3mug s PRO 44 Cb -0.27 -1.83 -0.00 0.00 0.02 0.00 0.00 34.50 32.41 3mug s PRO 44 CO 0.30 -1.85 -0.05 -1.59 -0.33 0.00 0.00 177.00 173.48 3mug s LYS 45 N -4.00 0.42 0.19 5.54 -2.85 -0.21 -4.94 119.74 113.90 3mug s LYS 45 Ca 0.73 -0.17 -0.31 0.00 -1.00 0.00 0.00 55.97 55.22 3mug s LYS 45 Cb -0.28 -0.42 -0.09 0.00 -2.06 0.00 0.00 37.83 34.98 3mug s LYS 45 CO 0.46 0.09 1.45 0.14 0.10 0.00 0.00 175.35 177.59 3mug s VAL 46 N -0.05 2.85 -0.14 1.79 -7.23 -1.26 -1.01 120.40 115.35 3mug s VAL 46 Ca 0.01 0.66 -0.01 0.00 -1.81 0.00 0.00 61.98 60.83 3mug s VAL 46 Cb -0.03 -3.42 -0.09 0.00 0.56 0.00 0.00 36.38 33.40 3mug s VAL 46 CO -0.00 0.08 -0.14 0.23 -0.31 0.00 0.00 175.10 174.95 3mug n MET 47 N 3.15 0.35 -3.92 4.82 0.00 0.59 -4.84 117.12 117.26 3mug n MET 47 Ca 0.10 0.10 -0.10 0.00 0.00 0.00 0.00 57.70 57.79 3mug n MET 47 Cb 0.40 -1.22 -0.11 0.00 0.00 0.00 0.00 33.22 32.30 3mug n MET 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3mug s VAL 48 N -2.28 0.09 0.07 2.03 1.01 -1.21 -4.23 120.40 115.88 3mug s VAL 48 Ca -0.20 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 3mug s VAL 48 Cb 0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 3mug s VAL 48 CO 0.31 -0.42 0.09 0.72 0.00 0.00 0.00 175.10 175.81 3mug s PHE 49 N -1.36 0.30 -1.44 5.22 -0.12 0.64 -0.97 117.98 120.25 3mug s PHE 49 Ca -0.15 -0.75 -0.03 0.00 -0.05 0.00 0.00 56.93 55.95 3mug s PHE 49 Cb -0.08 -0.20 0.02 0.00 -0.63 0.00 0.00 43.02 42.13 3mug s PHE 49 CO 0.00 -0.46 0.50 -0.25 -0.05 0.00 0.00 175.22 174.97 3mug n ASP 50 N 0.12 -0.89 0.00 1.98 8.00 -0.81 -1.44 116.55 123.51 3mug n ASP 50 Ca -0.15 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.37 3mug n ASP 50 Cb 0.61 -3.14 0.00 0.00 -0.02 0.00 0.00 41.12 38.58 3mug n ASP 50 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3mug n VAL 51 N -4.40 0.00 -0.03 2.53 0.31 -0.56 -4.03 118.33 112.14 3mug n VAL 51 Ca -0.25 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3mug n VAL 51 Cb 0.66 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 3mug n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3mug n SER 52 N 2.52 1.39 -4.84 4.52 3.41 -1.23 -3.65 113.62 115.74 3mug n SER 52 Ca 0.00 -1.42 -0.37 0.00 -0.26 0.00 0.00 58.87 56.82 3mug n SER 52 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3mug n SER 52 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3mug s HIS 53 N -0.42 3.70 -0.13 7.33 4.02 -0.52 -4.53 115.29 124.74 3mug s HIS 53 Ca 0.00 1.03 -0.03 0.00 1.02 0.00 0.00 55.06 57.07 3mug s HIS 53 Cb 0.00 -2.32 -0.03 0.00 -1.02 0.00 0.00 32.58 29.21 3mug s HIS 53 CO 0.00 0.58 -0.01 1.03 1.02 0.00 0.00 174.74 177.36 3mug s ARG 54 N -1.36 3.42 1.01 1.40 0.52 -1.26 -0.26 118.95 122.41 3mug s ARG 54 Ca 0.28 -0.45 -0.12 0.00 -0.52 0.00 0.00 55.73 54.92 3mug s ARG 54 Cb -0.17 -2.90 0.20 0.00 0.52 0.00 0.00 34.95 32.60 3mug s ARG 54 CO 0.16 0.44 1.09 -2.14 0.02 0.00 0.00 175.30 174.87 3mug s PRO 55 N -0.16 0.33 0.25 3.54 0.02 -1.26 -4.94 135.00 132.78 3mug s PRO 55 Ca 0.04 0.58 -0.30 0.00 0.02 0.00 0.00 61.00 61.34 3mug s PRO 55 Cb -0.13 -1.72 -0.10 0.00 0.02 0.00 0.00 34.50 32.58 3mug s PRO 55 CO 0.02 -2.82 1.39 -1.12 -0.33 0.00 0.00 177.00 174.15 3mug s SER 56 N -3.34 6.73 0.00 2.53 0.01 -1.26 -2.78 113.70 115.58 3mug s SER 56 Ca 0.66 2.61 0.00 0.00 1.31 0.00 0.00 55.95 60.52 3mug s SER 56 Cb -0.19 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.41 3mug s SER 56 CO 0.58 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 174.20 3mug n GLY 57 N 2.05 1.12 3.70 3.44 0.00 -1.26 -5.05 105.19 109.20 3mug n GLY 57 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3mug n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mug s ILE 58 N -2.55 5.09 0.41 -0.61 1.09 -1.12 -5.04 121.20 118.46 3mug s ILE 58 Ca 0.00 1.22 -0.25 0.00 -1.10 0.00 0.00 60.65 60.51 3mug s ILE 58 Cb 0.00 -3.94 -0.10 0.00 -1.06 0.00 0.00 42.46 37.35 3mug s ILE 58 CO 0.00 0.24 1.15 -0.24 -0.10 0.00 0.00 174.94 175.99 3mug n SER 59 N 4.06 1.97 0.00 3.58 2.88 -1.26 -4.89 113.62 119.96 3mug n SER 59 Ca -0.03 1.09 0.03 0.00 -1.33 0.00 0.00 58.87 58.63 3mug n SER 59 Cb 0.51 -1.43 0.13 0.00 -0.75 0.00 0.00 64.21 62.67 3mug n SER 59 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3mug n ASN 60 N 0.42 0.00 0.25 -3.46 6.94 -1.26 -2.54 115.26 115.62 3mug n ASN 60 Ca 0.08 0.50 0.15 0.00 -0.02 0.00 0.00 54.58 55.28 3mug n ASN 60 Cb 0.39 -0.50 0.54 0.00 -2.36 0.00 0.00 39.78 37.85 3mug n ASN 60 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 3mug h ARG 61 N 0.00 0.00 -5.19 -3.83 3.08 -1.90 -3.42 114.38 103.12 3mug h ARG 61 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 3mug h ARG 61 Cb 0.11 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.01 3mug h ARG 61 CO 0.00 0.05 -0.16 -0.06 -1.07 0.00 0.00 179.97 178.73 3mug s PHE 62 N -3.58 3.24 0.03 3.04 0.08 -1.05 -0.71 117.98 119.03 3mug s PHE 62 Ca 0.02 0.39 0.04 0.00 0.12 0.00 0.00 56.93 57.50 3mug s PHE 62 Cb 0.08 -2.66 -0.02 0.00 -0.57 0.00 0.00 43.02 39.85 3mug s PHE 62 CO 0.59 -0.30 -0.11 -1.54 -0.10 0.00 0.00 175.22 173.76 3mug s SER 63 N 1.64 1.26 0.11 1.36 1.04 -0.22 -4.96 113.70 113.93 3mug s SER 63 Ca 0.17 -0.42 0.10 0.00 0.48 0.00 0.00 55.95 56.27 3mug s SER 63 Cb -0.16 -0.06 -0.04 0.00 0.10 0.00 0.00 66.02 65.86 3mug s SER 63 CO 0.10 -0.03 -0.22 -0.83 0.98 0.00 0.00 173.24 173.25 3mug s GLY 64 N -1.08 1.62 0.10 7.32 0.00 -1.26 -0.20 107.32 113.82 3mug s GLY 64 Ca -0.01 -1.37 -0.10 0.00 0.00 0.00 0.00 44.72 43.23 3mug s GLY 64 CO 0.01 -1.34 0.24 -0.45 0.00 0.00 0.00 173.10 171.56 3mug s SER 65 N -1.99 0.04 -0.08 1.64 0.15 -0.27 -4.20 113.70 108.99 3mug s SER 65 Ca 0.16 -0.58 -0.07 0.00 0.70 0.00 0.00 55.95 56.16 3mug s SER 65 Cb -0.10 0.37 0.02 0.00 -1.71 0.00 0.00 66.02 64.60 3mug s SER 65 CO 0.08 -0.76 0.20 -0.75 1.20 0.00 0.00 173.24 173.21 3mug s LYS 66 N -3.85 0.23 -0.21 5.44 2.20 -1.26 -0.03 119.74 122.26 3mug s LYS 66 Ca 0.05 0.29 -0.04 0.00 -0.36 0.00 0.00 55.97 55.91 3mug s LYS 66 Cb 0.04 0.10 0.10 0.00 -1.51 0.00 0.00 37.83 36.56 3mug s LYS 66 CO -0.11 -0.03 0.22 -1.54 -0.36 0.00 0.00 175.35 173.53 3mug s SER 67 N 0.16 1.52 1.78 1.43 1.04 0.56 -5.00 113.70 115.19 3mug s SER 67 Ca -0.00 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.10 3mug s SER 67 Cb -0.02 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.45 3mug s SER 67 CO -0.00 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.49 3mug n GLY 68 N 5.31 3.71 1.05 7.32 0.00 -1.26 -1.71 105.19 119.61 3mug n GLY 68 Ca -0.05 0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.10 3mug n GLY 68 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mug n ASN 69 N 9.22 3.04 -4.28 1.61 3.02 -1.26 -3.88 115.26 122.73 3mug n ASN 69 Ca 0.00 -2.02 -0.32 0.00 -0.03 0.00 0.00 54.58 52.21 3mug n ASN 69 Cb 0.00 -0.38 -0.16 0.00 -0.61 0.00 0.00 39.78 38.63 3mug n ASN 69 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3mug s THR 70 N -1.28 2.31 0.12 3.41 2.01 -0.69 -0.25 115.64 121.26 3mug s THR 70 Ca 0.38 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 61.50 3mug s THR 70 Cb 0.20 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 3mug s THR 70 CO 0.25 0.56 -0.13 0.00 -0.69 0.00 0.00 174.62 174.61 3mug s ALA 71 N 0.08 2.86 0.00 7.40 0.00 -0.27 -0.32 121.76 131.51 3mug s ALA 71 Ca -0.10 -1.33 0.02 0.00 0.00 0.00 0.00 51.96 50.55 3mug s ALA 71 Cb -0.16 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 3mug s ALA 71 CO 0.06 0.59 -0.06 -1.12 0.00 0.00 0.00 175.76 175.23 3mug s SER 72 N -2.31 0.73 -0.17 0.00 0.01 0.96 -0.24 113.70 112.67 3mug s SER 72 Ca 0.21 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.30 3mug s SER 72 Cb -0.10 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.07 3mug s SER 72 CO 0.13 0.04 -0.16 -0.22 0.41 0.00 0.00 173.24 173.44 3mug s LEU 73 N -0.32 2.41 -0.11 2.44 2.96 -0.03 -1.12 118.68 124.90 3mug s LEU 73 Ca 0.01 -0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 53.39 3mug s LEU 73 Cb -0.03 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 3mug s LEU 73 CO -0.00 0.04 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.10 3mug s THR 74 N 1.07 3.58 -0.25 3.68 2.01 0.71 -0.71 115.64 125.73 3mug s THR 74 Ca -0.01 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.50 3mug s THR 74 Cb -0.14 -2.50 0.04 0.00 0.01 0.00 0.00 72.50 69.90 3mug s THR 74 CO -0.05 0.55 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.71 3mug s ILE 75 N -0.19 2.47 0.18 1.82 1.01 -0.29 -1.06 121.20 125.15 3mug s ILE 75 Ca 0.02 -1.29 -0.02 0.00 0.00 0.00 0.00 60.65 59.36 3mug s ILE 75 Cb -0.13 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 3mug s ILE 75 CO 0.03 0.13 0.39 -0.94 0.00 0.00 0.00 174.94 174.55 3mug s SER 76 N 1.22 6.42 -1.24 3.58 1.04 0.11 -1.42 113.70 123.43 3mug s SER 76 Ca -0.03 0.48 -0.08 0.00 0.48 0.00 0.00 55.95 56.80 3mug s SER 76 Cb -0.18 -2.04 -0.01 0.00 0.10 0.00 0.00 66.02 63.89 3mug s SER 76 CO -0.06 -0.01 0.71 0.61 0.98 0.00 0.00 173.24 175.47 3mug n GLY 77 N -0.39 -0.61 3.54 7.32 0.00 -1.01 -4.79 105.19 109.25 3mug n GLY 77 Ca -0.04 0.29 -0.60 0.00 0.00 0.00 0.00 46.02 45.68 3mug n GLY 77 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3mug n LEU 78 N -4.15 0.33 -4.35 0.99 0.00 -0.12 -4.41 117.00 105.28 3mug n LEU 78 Ca -0.21 1.16 -0.27 0.00 0.00 0.00 0.00 56.01 56.69 3mug n LEU 78 Cb 0.64 -0.94 -0.13 0.00 0.00 0.00 0.00 43.42 42.99 3mug n LEU 78 CO 0.68 -1.68 -0.55 -2.28 0.00 0.00 0.00 177.39 173.57 3mug s HIS 79 N 0.48 2.10 0.60 1.96 5.65 -1.26 -0.72 115.29 124.10 3mug s HIS 79 Ca 0.92 -0.40 0.30 0.00 0.25 0.00 0.00 55.06 56.14 3mug s HIS 79 Cb -1.27 -1.15 1.76 0.00 -1.18 0.00 0.00 32.58 30.74 3mug s HIS 79 CO 0.59 0.27 2.14 -0.84 -0.65 0.00 0.00 174.74 176.26 3mug h ILE 80 N 3.98 0.41 0.00 0.89 -0.00 -1.94 0.63 117.51 121.47 3mug h ILE 80 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.37 3mug h ILE 80 Cb 1.17 0.87 0.00 0.00 -0.00 0.00 0.00 36.82 38.87 3mug h ILE 80 CO 0.39 0.00 0.00 -1.84 -0.00 0.00 0.00 178.15 176.70 3mug n GLU 81 N -3.69 0.55 0.00 0.16 0.28 -1.26 -2.87 120.64 113.81 3mug n GLU 81 Ca 0.00 0.03 0.12 0.00 -0.16 0.00 0.00 57.16 57.15 3mug n GLU 81 Cb 0.26 -1.50 0.23 0.00 1.43 0.00 0.00 31.44 31.86 3mug n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3mug n ASP 82 N -1.17 0.53 -4.75 -1.84 8.00 0.21 -4.93 116.55 112.60 3mug n ASP 82 Ca 0.15 -0.26 -0.42 0.00 0.71 0.00 0.00 54.79 54.98 3mug n ASP 82 Cb 0.15 0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 41.52 3mug n ASP 82 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3mug n GLU 83 N -1.54 2.75 -2.65 -1.24 1.02 -1.14 -4.89 120.64 112.96 3mug n GLU 83 Ca 0.05 0.98 0.00 0.00 -0.02 0.00 0.00 57.16 58.17 3mug n GLU 83 Cb 0.34 -2.78 0.00 0.00 -0.02 0.00 0.00 31.44 28.98 3mug n GLU 83 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mug n GLY 84 N 2.39 -0.68 3.75 0.62 0.00 -1.03 -4.72 105.19 105.52 3mug n GLY 84 Ca 0.09 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 3mug n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mug s ASP 85 N -3.64 6.29 -0.15 1.61 -0.00 -0.51 -0.33 116.67 119.94 3mug s ASP 85 Ca 0.00 0.34 -0.01 0.00 -0.00 0.00 0.00 52.55 52.87 3mug s ASP 85 Cb 0.00 -2.11 -0.02 0.00 -0.00 0.00 0.00 42.92 40.79 3mug s ASP 85 CO 0.00 0.20 -0.10 -0.31 -0.00 0.00 0.00 175.17 174.96 3mug s TYR 86 N 0.17 2.88 -0.10 4.23 2.02 0.14 -0.26 117.35 126.44 3mug s TYR 86 Ca 0.11 -0.62 0.04 0.00 -0.37 0.00 0.00 57.07 56.22 3mug s TYR 86 Cb -0.12 -1.91 0.00 0.00 -0.40 0.00 0.00 41.96 39.54 3mug s TYR 86 CO 0.00 -0.23 -0.22 -0.06 -1.57 0.00 0.00 175.55 173.48 3mug s PHE 87 N 0.53 2.38 0.22 2.71 0.08 0.27 -1.52 117.98 122.66 3mug s PHE 87 Ca -0.07 -0.98 -0.10 0.00 0.12 0.00 0.00 56.93 55.90 3mug s PHE 87 Cb -0.15 -1.61 -0.07 0.00 -0.57 0.00 0.00 43.02 40.61 3mug s PHE 87 CO 0.04 -0.41 0.56 0.00 -0.10 0.00 0.00 175.22 175.31 3mug s SER 89 N -2.27 0.55 0.03 0.00 0.15 0.45 -0.41 113.70 112.20 3mug s SER 89 Ca 0.47 -0.60 -0.03 0.00 0.70 0.00 0.00 55.95 56.49 3mug s SER 89 Cb -0.12 0.08 -0.02 0.00 -1.71 0.00 0.00 66.02 64.26 3mug s SER 89 CO 0.21 -0.30 0.03 -0.55 1.20 0.00 0.00 173.24 173.82 3mug s SER 90 N -1.74 0.25 0.37 5.45 0.15 0.23 -1.44 113.70 116.96 3mug s SER 90 Ca -0.10 -0.57 -0.25 0.00 0.70 0.00 0.00 55.95 55.73 3mug s SER 90 Cb -0.07 0.17 -0.10 0.00 -1.71 0.00 0.00 66.02 64.31 3mug s SER 90 CO -0.02 -0.43 0.99 -0.22 1.20 0.00 0.00 173.24 174.77 3mug s LEU 91 N -1.93 4.21 0.20 3.45 2.96 -1.20 -0.69 118.68 125.68 3mug s LEU 91 Ca -0.08 1.92 0.06 0.00 -0.22 0.00 0.00 54.13 55.80 3mug s LEU 91 Cb -0.04 -4.14 -0.04 0.00 0.50 0.00 0.00 46.19 42.47 3mug s LEU 91 CO -0.03 -0.29 0.16 -0.89 -1.32 0.00 0.00 176.35 173.98 3mug s THR 92 N -1.69 4.46 -1.11 3.68 2.01 -0.23 -4.40 115.64 118.36 3mug s THR 92 Ca 0.55 -1.23 0.08 0.00 0.31 0.00 0.00 61.69 61.40 3mug s THR 92 Cb -0.19 -3.34 0.09 0.00 0.01 0.00 0.00 72.50 69.07 3mug s THR 92 CO 0.24 -0.22 1.22 -0.90 -0.69 0.00 0.00 174.62 174.28 3mug n ASP 93 N -0.72 0.00 -1.07 3.53 5.75 -0.28 -1.56 116.55 122.20 3mug n ASP 93 Ca -0.08 0.41 0.12 0.00 -0.01 0.00 0.00 54.79 55.23 3mug n ASP 93 Cb 0.56 -0.44 0.17 0.00 -1.03 0.00 0.00 41.12 40.38 3mug n ASP 93 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3mug n ARG 94 N -1.44 2.42 -1.31 0.11 1.74 -1.26 -4.96 116.66 111.96 3mug n ARG 94 Ca 0.02 -2.15 -0.08 0.00 -0.77 0.00 0.00 57.85 54.88 3mug n ARG 94 Cb 0.09 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.01 3mug n ARG 94 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3mug n SER 95 N 1.43 -3.82 -4.57 0.55 7.64 -0.60 -5.05 113.62 109.20 3mug n SER 95 Ca 0.17 0.17 -0.25 0.00 1.01 0.00 0.00 58.87 59.98 3mug n SER 95 Cb 0.60 -2.12 0.12 0.00 -1.01 0.00 0.00 64.21 61.81 3mug n SER 95 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3mug s HIS 95 N -2.30 1.55 -0.04 1.43 3.76 -1.26 -4.85 115.29 113.59 3mug s HIS 95 Ca 0.00 -0.18 0.05 0.00 -0.15 0.00 0.00 55.06 54.79 3mug s HIS 95 Cb 0.00 -3.20 -0.01 0.00 1.11 0.00 0.00 32.58 30.48 3mug s HIS 95 CO 0.00 -1.90 -0.20 1.03 -0.85 0.00 0.00 174.74 172.81 3mug s ARG 96 N -5.29 1.96 -0.08 1.40 1.81 -1.26 -1.07 118.95 116.42 3mug s ARG 96 Ca 0.68 -0.72 0.05 0.00 -1.72 0.00 0.00 55.73 54.02 3mug s ARG 96 Cb -0.05 -1.73 -0.00 0.00 -0.45 0.00 0.00 34.95 32.72 3mug s ARG 96 CO 0.46 0.33 -0.24 0.42 -0.68 0.00 0.00 175.30 175.59 3mug s ILE 97 N -0.15 2.05 0.22 1.52 -1.09 0.14 -4.95 121.20 118.93 3mug s ILE 97 Ca -0.01 -1.03 0.06 0.00 -2.23 0.00 0.00 60.65 57.44 3mug s ILE 97 Cb -0.11 -1.75 -0.04 0.00 -1.58 0.00 0.00 42.46 38.98 3mug s ILE 97 CO 0.02 0.56 0.17 -0.36 -1.23 0.00 0.00 174.94 174.10 3mug s PHE 98 N 0.13 3.12 0.83 3.97 0.08 -1.26 -0.61 117.98 124.25 3mug s PHE 98 Ca -0.13 -0.07 -0.10 0.00 0.12 0.00 0.00 56.93 56.75 3mug s PHE 98 Cb -0.16 -1.44 0.14 0.00 -0.57 0.00 0.00 43.02 40.98 3mug s PHE 98 CO 0.07 0.52 1.16 0.20 -0.10 0.00 0.00 175.22 177.06 3mug s GLY 99 N -3.54 1.73 0.34 4.36 0.00 0.45 -1.83 107.32 108.84 3mug s GLY 99 Ca 0.32 -1.20 0.17 0.00 0.00 0.00 0.00 44.72 44.01 3mug s GLY 99 CO 0.24 -0.60 1.68 -1.33 0.00 0.00 0.00 173.10 173.09 3mug h GLY 100 N -1.07 0.00 0.00 0.20 0.00 -1.84 -3.45 103.07 96.92 3mug h GLY 100 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3mug h GLY 100 CO 0.47 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.62 3mug n GLY 101 N 0.36 2.47 2.93 4.60 0.00 -1.26 -5.05 105.19 109.23 3mug n GLY 101 Ca -0.00 -1.77 -0.24 0.00 0.00 0.00 0.00 46.02 44.01 3mug n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mug s THR 102 N -2.14 0.85 -0.17 2.61 2.01 -0.57 -4.39 115.64 113.84 3mug s THR 102 Ca 0.00 -0.26 -0.25 0.00 0.31 0.00 0.00 61.69 61.49 3mug s THR 102 Cb 0.00 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.64 3mug s THR 102 CO 0.00 0.31 0.83 -0.75 -0.69 0.00 0.00 174.62 174.32 3mug s LYS 103 N 1.18 4.30 -0.26 4.92 2.20 -0.54 -0.68 119.74 130.85 3mug s LYS 103 Ca -0.06 1.02 -0.09 0.00 -0.36 0.00 0.00 55.97 56.48 3mug s LYS 103 Cb -0.14 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.57 3mug s LYS 103 CO -0.02 -0.32 0.11 0.08 -0.36 0.00 0.00 175.35 174.85 3mug s VAL 104 N 2.12 4.65 -0.12 4.02 1.01 0.55 -1.52 120.40 131.11 3mug s VAL 104 Ca 0.38 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.28 3mug s VAL 104 Cb -0.17 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 3mug s VAL 104 CO 0.13 0.29 -0.11 -0.89 0.00 0.00 0.00 175.10 174.52 3mug s THR 105 N 1.66 3.31 -0.48 3.92 2.01 -0.90 -2.47 115.64 122.69 3mug s THR 105 Ca 0.06 -0.58 -0.10 0.00 0.31 0.00 0.00 61.69 61.38 3mug s THR 105 Cb -0.16 -2.39 0.12 0.00 0.01 0.00 0.00 72.50 70.09 3mug s THR 105 CO 0.06 0.54 0.36 -0.69 -0.69 0.00 0.00 174.62 174.20 3mug s VAL 106 N 0.05 4.30 -0.32 3.82 1.01 -1.26 -2.14 120.40 125.85 3mug s VAL 106 Ca -0.03 -1.77 -0.38 0.00 0.00 0.00 0.00 61.98 59.79 3mug s VAL 106 Cb -0.14 -3.82 -0.14 0.00 0.00 0.00 0.00 36.38 32.27 3mug s VAL 106 CO 0.04 -0.79 1.98 0.18 0.00 0.00 0.00 175.10 176.52 3mug n LEU 106 N 4.93 2.18 -0.23 3.92 4.77 -0.31 -4.87 117.00 127.39 3mug n LEU 106 Ca -0.08 0.75 0.03 0.00 -0.03 0.00 0.00 56.01 56.67 3mug n LEU 106 Cb 0.41 -1.18 0.04 0.00 -2.33 0.00 0.00 43.42 40.35 3mug n LEU 106 CO 0.44 -0.56 0.40 0.61 -1.33 0.00 0.00 177.39 176.95 3mug n GLY 107 N 5.55 0.24 3.58 -0.72 0.00 -1.26 -4.50 105.19 108.07 3mug n GLY 107 Ca 0.35 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 3mug n GLY 107 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mug s GLN 108 N -0.60 1.29 0.47 1.61 -2.07 -1.26 -5.16 119.66 113.95 3mug s GLN 108 Ca 0.07 -0.58 -0.23 0.00 -1.82 0.00 0.00 55.36 52.80 3mug s GLN 108 Cb 0.05 0.53 -0.07 0.00 -1.09 0.00 0.00 33.01 32.42 3mug s GLN 108 CO 0.07 -0.58 1.24 -1.25 -1.32 0.00 0.00 175.29 173.45 3mug s PRO 109 N -3.60 3.62 0.39 9.60 0.04 -1.26 -4.97 135.00 138.82 3mug s PRO 109 Ca 0.06 1.97 -0.27 0.00 0.04 0.00 0.00 61.00 62.79 3mug s PRO 109 Cb -0.02 -2.43 -0.10 0.00 0.04 0.00 0.00 34.50 31.99 3mug s PRO 109 CO -0.06 -0.72 1.42 0.15 0.04 0.00 0.00 177.00 177.84 3mug s LYS 110 N -2.67 4.05 -0.04 4.56 1.02 -1.26 -4.88 119.74 120.52 3mug s LYS 110 Ca 0.65 2.44 0.02 0.00 0.02 0.00 0.00 55.97 59.09 3mug s LYS 110 Cb -0.34 -2.90 0.01 0.00 -0.52 0.00 0.00 37.83 34.08 3mug s LYS 110 CO 0.41 -0.53 -0.08 0.00 -0.92 0.00 0.00 175.35 174.23 3mug s ALA 111 N -1.15 0.85 0.52 5.17 0.00 -0.53 -4.93 121.76 121.67 3mug s ALA 111 Ca 0.54 -0.25 -0.18 0.00 0.00 0.00 0.00 51.96 52.07 3mug s ALA 111 Cb -0.44 -0.38 -0.07 0.00 0.00 0.00 0.00 23.12 22.23 3mug s ALA 111 CO 0.59 0.09 1.01 0.00 0.00 0.00 0.00 175.76 177.45 3mug s ALA 112 N 0.47 2.92 0.60 0.00 0.00 -1.26 -1.11 121.76 123.38 3mug s ALA 112 Ca -0.07 0.39 -0.15 0.00 0.00 0.00 0.00 51.96 52.13 3mug s ALA 112 Cb -0.11 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 3mug s ALA 112 CO 0.01 -0.36 1.05 -1.25 0.00 0.00 0.00 175.76 175.21 3mug s PRO 113 N -3.70 3.30 -0.24 0.00 0.04 -1.26 -4.48 135.00 128.65 3mug s PRO 113 Ca 0.63 1.14 -0.11 0.00 0.04 0.00 0.00 61.00 62.70 3mug s PRO 113 Cb -0.13 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 3mug s PRO 113 CO 0.27 -0.82 0.17 -1.12 0.04 0.00 0.00 177.00 175.54 3mug s SER 114 N -2.99 6.12 -0.19 6.66 0.01 -0.16 -4.91 113.70 118.24 3mug s SER 114 Ca 0.62 0.11 -0.03 0.00 1.31 0.00 0.00 55.95 57.97 3mug s SER 114 Cb -0.15 -2.11 -0.01 0.00 0.21 0.00 0.00 66.02 63.95 3mug s SER 114 CO 0.40 0.05 -0.06 -0.69 0.41 0.00 0.00 173.24 173.34 3mug s VAL 115 N 1.15 3.36 -0.16 3.43 1.01 -1.26 -1.19 120.40 126.73 3mug s VAL 115 Ca 0.08 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3mug s VAL 115 Cb -0.14 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.76 3mug s VAL 115 CO 0.05 0.46 -0.18 -0.89 0.00 0.00 0.00 175.10 174.54 3mug s THR 116 N 1.08 1.85 -0.23 3.92 2.01 0.16 -4.97 115.64 119.46 3mug s THR 116 Ca 0.01 -0.81 -0.05 0.00 0.31 0.00 0.00 61.69 61.14 3mug s THR 116 Cb -0.15 -1.69 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 3mug s THR 116 CO -0.01 0.51 0.01 -0.22 -0.69 0.00 0.00 174.62 174.22 3mug s LEU 117 N 1.33 3.19 -0.20 4.42 2.96 -1.26 0.25 118.68 129.37 3mug s LEU 117 Ca 0.04 -0.28 -0.08 0.00 -0.22 0.00 0.00 54.13 53.59 3mug s LEU 117 Cb -0.13 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 3mug s LEU 117 CO -0.11 -0.01 0.08 -0.36 -1.32 0.00 0.00 176.35 174.63 3mug s PHE 118 N 1.44 3.26 0.87 5.38 0.40 0.10 -4.98 117.98 124.45 3mug s PHE 118 Ca 0.05 0.07 -0.12 0.00 -0.60 0.00 0.00 56.93 56.33 3mug s PHE 118 Cb -0.15 -2.12 0.12 0.00 0.51 0.00 0.00 43.02 41.38 3mug s PHE 118 CO 0.01 0.11 1.15 -1.25 0.70 0.00 0.00 175.22 175.94 3mug s PRO 119 N 0.55 1.45 0.37 0.24 0.04 -1.26 -1.68 135.00 134.71 3mug s PRO 119 Ca 0.04 0.23 -0.28 0.00 0.04 0.00 0.00 61.00 61.03 3mug s PRO 119 Cb -0.13 -1.88 -0.11 0.00 0.04 0.00 0.00 34.50 32.42 3mug s PRO 119 CO 0.01 -1.97 1.48 -2.30 0.04 0.00 0.00 177.00 174.25 3mug n PRO 120 N -3.60 2.62 -1.97 0.56 -0.02 -1.20 -4.80 135.00 126.59 3mug n PRO 120 Ca 0.07 0.92 -0.33 0.00 -2.02 0.00 0.00 63.50 62.14 3mug n PRO 120 Cb 0.60 -2.64 0.02 0.00 -0.02 0.00 0.00 33.50 31.46 3mug n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3mug s SER 121 N -0.09 5.64 0.47 2.55 1.04 -1.26 -4.92 113.70 117.14 3mug s SER 121 Ca 0.54 1.84 0.18 0.00 0.48 0.00 0.00 55.95 59.00 3mug s SER 121 Cb -0.49 -2.53 1.16 0.00 0.10 0.00 0.00 66.02 64.26 3mug s SER 121 CO 0.62 -1.26 2.03 0.77 0.98 0.00 0.00 173.24 176.38 3mug h SER 122 N 0.31 0.00 -0.54 7.02 4.64 -1.99 -1.98 113.55 121.02 3mug h SER 122 Ca -0.47 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.81 3mug h SER 122 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 3mug h SER 122 CO 0.57 0.15 0.18 -0.33 -0.87 0.00 0.00 176.83 176.54 3mug h GLU 123 N 0.00 0.82 -0.27 4.77 5.08 -1.99 -1.89 114.58 121.10 3mug h GLU 123 Ca -0.00 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 3mug h GLU 123 Cb 0.30 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3mug h GLU 123 CO 0.02 0.74 -0.17 1.49 -1.00 0.00 0.00 179.01 180.09 3mug h GLU 124 N 0.73 0.60 -0.83 2.33 4.81 -1.71 -2.86 114.58 117.65 3mug h GLU 124 Ca 0.17 -0.28 0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3mug h GLU 124 Cb 0.25 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 3mug h GLU 124 CO -0.01 0.86 0.55 -0.07 -0.73 0.00 0.00 179.01 179.61 3mug h LEU 125 N 0.33 0.86 -0.76 1.64 3.38 -1.21 0.15 115.31 119.70 3mug h LEU 125 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3mug h LEU 125 Cb 0.71 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3mug h LEU 125 CO 0.05 0.58 0.00 1.56 0.09 0.00 0.00 178.44 180.72 3mug h GLN 126 N 1.00 0.00 -0.57 1.13 4.20 -1.27 -2.05 115.11 117.55 3mug h GLN 126 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 3mug h GLN 126 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3mug h GLN 126 CO -0.11 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.05 3mug n ALA 127 N -1.86 2.46 -3.32 3.87 0.00 0.00 -4.93 120.51 116.73 3mug n ALA 127 Ca 0.02 -1.00 -0.23 0.00 0.00 0.00 0.00 53.44 52.23 3mug n ALA 127 Cb 0.29 -0.96 0.06 0.00 0.00 0.00 0.00 19.45 18.83 3mug n ALA 127 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3mug n ASN 128 N 1.12 -6.29 -4.15 0.00 2.85 -0.77 -5.01 115.26 103.01 3mug n ASN 128 Ca 0.19 -0.42 -0.10 0.00 -0.11 0.00 0.00 54.58 54.14 3mug n ASN 128 Cb 0.50 -5.00 -0.10 0.00 1.24 0.00 0.00 39.78 36.41 3mug n ASN 128 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3mug s LYS 129 N -6.02 0.77 -0.18 1.20 1.02 -0.97 -4.65 119.74 110.91 3mug s LYS 129 Ca 0.45 -1.28 -0.09 0.00 0.02 0.00 0.00 55.97 55.06 3mug s LYS 129 Cb -0.20 -0.11 0.06 0.00 -0.52 0.00 0.00 37.83 37.07 3mug s LYS 129 CO 0.56 -0.04 0.43 0.00 -0.92 0.00 0.00 175.35 175.38 3mug s ALA 130 N -3.60 -1.11 -0.03 5.17 0.00 -1.07 -2.81 121.76 118.30 3mug s ALA 130 Ca 0.10 1.58 -0.01 0.00 0.00 0.00 0.00 51.96 53.63 3mug s ALA 130 Cb 0.05 -1.01 0.03 0.00 0.00 0.00 0.00 23.12 22.20 3mug s ALA 130 CO -0.06 -0.33 0.04 0.99 0.00 0.00 0.00 175.76 176.40 3mug s THR 131 N 1.56 -0.04 -0.16 0.00 2.01 -1.26 -1.16 115.64 116.59 3mug s THR 131 Ca -0.09 0.28 -0.17 0.00 0.31 0.00 0.00 61.69 62.03 3mug s THR 131 Cb -0.09 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 3mug s THR 131 CO -0.13 0.14 0.44 -0.76 -0.69 0.00 0.00 174.62 173.61 3mug s LEU 132 N 1.54 4.22 -0.23 4.42 1.43 -0.40 -3.24 118.68 126.42 3mug s LEU 132 Ca -0.03 0.68 -0.03 0.00 -1.03 0.00 0.00 54.13 53.72 3mug s LEU 132 Cb -0.13 -2.61 0.01 0.00 0.03 0.00 0.00 46.19 43.49 3mug s LEU 132 CO -0.03 -0.03 -0.06 -0.69 0.23 0.00 0.00 176.35 175.77 3mug s VAL 133 N 0.94 3.11 -0.29 -1.59 1.01 -0.68 -1.79 120.40 121.12 3mug s VAL 133 Ca 0.23 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 3mug s VAL 133 Cb -0.15 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.78 3mug s VAL 133 CO 0.09 0.36 0.07 0.00 0.00 0.00 0.00 175.10 175.61 3mug s LEU 135 N 1.48 3.57 -0.21 0.00 1.43 0.14 -1.40 118.68 123.68 3mug s LEU 135 Ca 0.02 -0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 3mug s LEU 135 Cb -0.17 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.12 3mug s LEU 135 CO 0.02 0.06 -0.08 -0.63 0.23 0.00 0.00 176.35 175.94 3mug s ILE 136 N 1.06 3.01 0.22 -0.59 1.01 -0.02 -0.66 121.20 125.24 3mug s ILE 136 Ca 0.04 -0.63 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 3mug s ILE 136 Cb -0.14 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 3mug s ILE 136 CO 0.03 0.44 0.19 -0.94 0.00 0.00 0.00 174.94 174.66 3mug s SER 137 N 1.42 0.31 -1.35 3.58 1.04 -0.34 -0.16 113.70 118.21 3mug s SER 137 Ca 0.05 -1.39 -0.06 0.00 0.48 0.00 0.00 55.95 55.03 3mug s SER 137 Cb -0.14 0.43 0.04 0.00 0.10 0.00 0.00 66.02 66.45 3mug s SER 137 CO -0.06 -0.91 0.45 0.47 0.98 0.00 0.00 173.24 174.17 3mug n ASP 138 N -0.45 -4.53 -4.94 7.02 8.00 -0.18 -0.99 116.55 120.48 3mug n ASP 138 Ca 0.02 -0.27 -0.26 0.00 0.71 0.00 0.00 54.79 55.00 3mug n ASP 138 Cb 0.65 -3.72 -0.03 0.00 -0.02 0.00 0.00 41.12 37.99 3mug n ASP 138 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3mug s PHE 139 N -2.96 3.46 -0.28 1.24 -0.12 -0.89 -4.55 117.98 113.87 3mug s PHE 139 Ca 0.30 0.10 -0.12 0.00 -0.05 0.00 0.00 56.93 57.16 3mug s PHE 139 Cb -0.15 -1.65 0.10 0.00 -0.63 0.00 0.00 43.02 40.69 3mug s PHE 139 CO 0.37 0.51 0.64 -0.47 -0.05 0.00 0.00 175.22 176.23 3mug s TYR 140 N -1.75 -1.16 0.89 3.49 5.04 -0.27 -0.93 117.35 122.65 3mug s TYR 140 Ca 0.34 2.16 -0.11 0.00 -2.44 0.00 0.00 57.07 57.02 3mug s TYR 140 Cb -0.11 0.68 0.13 0.00 0.35 0.00 0.00 41.96 43.01 3mug s TYR 140 CO 0.28 -0.58 1.09 -2.14 -1.34 0.00 0.00 175.55 172.86 3mug s PRO 141 N 2.26 1.29 -1.42 4.97 0.02 -1.26 -1.46 135.00 139.40 3mug s PRO 141 Ca -0.08 1.03 -0.09 0.00 0.02 0.00 0.00 61.00 61.89 3mug s PRO 141 Cb -0.09 -1.80 -0.08 0.00 0.02 0.00 0.00 34.50 32.55 3mug s PRO 141 CO -0.19 -2.28 2.74 0.41 -0.33 0.00 0.00 177.00 177.36 3mug n GLY 142 N -0.77 3.93 3.13 0.52 0.00 -1.26 -4.77 105.19 105.97 3mug n GLY 142 Ca 0.08 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.67 3mug n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mug s ALA 143 N 2.49 -0.79 0.05 4.61 0.00 -1.26 -4.70 121.76 122.15 3mug s ALA 143 Ca 0.62 1.19 -0.01 0.00 0.00 0.00 0.00 51.96 53.76 3mug s ALA 143 Cb 0.16 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 3mug s ALA 143 CO -0.05 -0.53 -0.03 0.14 0.00 0.00 0.00 175.76 175.29 3mug s VAL 144 N 2.09 0.20 -0.14 0.00 -7.23 -1.26 -4.67 120.40 109.39 3mug s VAL 144 Ca -0.03 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 3mug s VAL 144 Cb -0.11 -1.33 -0.01 0.00 0.56 0.00 0.00 36.38 35.49 3mug s VAL 144 CO -0.10 -0.92 -0.14 -0.89 -0.31 0.00 0.00 175.10 172.73 3mug s THR 145 N -3.55 2.92 -0.15 5.32 2.01 -0.42 -4.96 115.64 116.80 3mug s THR 145 Ca 0.04 -0.70 -0.00 0.00 0.31 0.00 0.00 61.69 61.33 3mug s THR 145 Cb 0.05 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.33 3mug s THR 145 CO -0.09 0.52 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.54 3mug s VAL 146 N 0.50 2.81 -0.02 3.82 1.01 -1.26 -0.52 120.40 126.75 3mug s VAL 146 Ca -0.09 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.20 3mug s VAL 146 Cb -0.16 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 3mug s VAL 146 CO 0.04 0.51 -0.13 0.00 0.00 0.00 0.00 175.10 175.52 3mug s ALA 147 N 0.77 1.11 0.04 5.51 0.00 -0.09 -4.99 121.76 124.11 3mug s ALA 147 Ca -0.06 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.40 3mug s ALA 147 Cb -0.15 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 3mug s ALA 147 CO 0.01 0.25 -0.06 -1.58 0.00 0.00 0.00 175.76 174.38 3mug s TRP 148 N -0.19 2.88 -0.02 0.00 0.52 -1.26 -0.04 118.94 120.83 3mug s TRP 148 Ca 0.03 -0.06 0.02 0.00 0.02 0.00 0.00 56.10 56.11 3mug s TRP 148 Cb -0.06 -1.56 0.00 0.00 -1.15 0.00 0.00 33.47 30.70 3mug s TRP 148 CO -0.00 0.41 -0.08 0.15 0.02 0.00 0.00 176.95 177.45 3mug s LYS 149 N -1.77 0.81 -0.32 4.98 1.02 -0.55 -1.31 119.74 122.61 3mug s LYS 149 Ca 0.20 -0.27 -0.07 0.00 0.02 0.00 0.00 55.97 55.85 3mug s LYS 149 Cb -0.11 -0.78 0.02 0.00 -0.52 0.00 0.00 37.83 36.44 3mug s LYS 149 CO 0.11 0.11 0.10 0.00 -0.92 0.00 0.00 175.35 174.76 3mug s ALA 150 N 0.13 3.09 0.00 5.17 0.00 0.20 -0.54 121.76 129.82 3mug s ALA 150 Ca -0.02 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.39 3mug s ALA 150 Cb -0.07 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.81 3mug s ALA 150 CO 0.00 -1.08 0.00 -0.25 0.00 0.00 0.00 175.76 174.43 3mug n ASP 151 N 4.87 0.00 -0.00 0.00 8.00 0.07 -2.18 116.55 127.31 3mug n ASP 151 Ca -0.14 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.41 3mug n ASP 151 Cb 0.47 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.50 3mug n ASP 151 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3mug n SER 152 N 9.65 1.88 -4.74 -2.24 3.41 -1.26 -4.75 113.62 115.56 3mug n SER 152 Ca 0.00 -0.28 -0.40 0.00 -0.26 0.00 0.00 58.87 57.93 3mug n SER 152 Cb 0.00 1.27 -0.06 0.00 -0.26 0.00 0.00 64.21 65.16 3mug n SER 152 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3mug s SER 153 N -2.62 7.61 0.52 4.04 1.04 -0.92 -4.98 113.70 118.38 3mug s SER 153 Ca -0.01 1.90 -0.18 0.00 0.48 0.00 0.00 55.95 58.14 3mug s SER 153 Cb 0.06 -2.60 -0.07 0.00 0.10 0.00 0.00 66.02 63.51 3mug s SER 153 CO 0.39 0.10 1.04 -2.16 0.98 0.00 0.00 173.24 173.59 3mug s PRO 154 N -0.87 3.68 -0.17 4.02 0.04 -1.26 -0.62 135.00 139.81 3mug s PRO 154 Ca 0.42 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.73 3mug s PRO 154 Cb -0.25 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.24 3mug s PRO 154 CO 0.31 -0.52 -0.08 0.14 0.04 0.00 0.00 177.00 176.89 3mug s VAL 155 N -2.20 1.31 -0.13 -0.36 -7.23 -0.43 -4.78 120.40 106.59 3mug s VAL 155 Ca 0.65 -0.73 0.20 0.00 -1.81 0.00 0.00 61.98 60.29 3mug s VAL 155 Cb -0.15 -1.42 -0.29 0.00 0.56 0.00 0.00 36.38 35.08 3mug s VAL 155 CO 0.26 0.18 0.25 0.29 -0.31 0.00 0.00 175.10 175.77 3mug n LYS 156 N 4.81 0.68 -2.55 4.82 5.02 -1.26 -4.39 118.16 125.29 3mug n LYS 156 Ca -0.13 -0.09 -0.40 0.00 -2.02 0.00 0.00 58.31 55.67 3mug n LYS 156 Cb 0.48 -1.52 -0.05 0.00 -0.02 0.00 0.00 35.03 33.92 3mug n LYS 156 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mug s ALA 157 N -2.93 3.39 -0.11 7.82 0.00 -1.26 -3.73 121.76 124.94 3mug s ALA 157 Ca -0.09 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.69 3mug s ALA 157 Cb 0.09 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.91 3mug s ALA 157 CO 0.86 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.96 3mug n GLY 158 N 1.33 0.49 3.74 0.00 0.00 -1.26 -4.86 105.19 104.63 3mug n GLY 158 Ca -0.01 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 3mug n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mug s VAL 159 N -1.92 5.31 -0.07 1.61 1.01 -1.24 -1.51 120.40 123.59 3mug s VAL 159 Ca 0.00 0.52 -0.02 0.00 0.00 0.00 0.00 61.98 62.48 3mug s VAL 159 Cb 0.00 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.80 3mug s VAL 159 CO 0.00 0.41 0.03 -1.61 0.00 0.00 0.00 175.10 173.94 3mug s GLU 160 N 0.30 0.30 -0.02 2.72 0.41 -0.62 -5.00 118.70 116.80 3mug s GLU 160 Ca 0.16 0.20 0.07 0.00 -0.41 0.00 0.00 54.97 54.99 3mug s GLU 160 Cb -0.13 -0.85 -0.02 0.00 -1.78 0.00 0.00 34.13 31.35 3mug s GLU 160 CO 0.04 -0.34 -0.24 0.99 -0.49 0.00 0.00 175.26 175.22 3mug s THR 161 N 2.06 1.91 0.55 3.63 2.01 -1.26 -0.22 115.64 124.31 3mug s THR 161 Ca 0.05 -1.04 -0.06 0.00 0.31 0.00 0.00 61.69 60.95 3mug s THR 161 Cb -0.12 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.79 3mug s THR 161 CO -0.05 0.54 0.86 0.42 -0.69 0.00 0.00 174.62 175.70 3mug s THR 162 N -0.57 4.29 0.04 -0.82 -4.23 0.09 -5.00 115.64 109.44 3mug s THR 162 Ca 0.09 0.17 -0.23 0.00 -1.18 0.00 0.00 61.69 60.53 3mug s THR 162 Cb -0.09 -3.67 -0.06 0.00 1.34 0.00 0.00 72.50 70.02 3mug s THR 162 CO -0.01 -0.69 0.71 -0.89 -0.54 0.00 0.00 174.62 173.20 3mug s THR 163 N -2.90 4.76 0.36 3.99 2.01 -1.26 -4.58 115.64 118.03 3mug s THR 163 Ca 0.51 1.51 -0.26 0.00 0.31 0.00 0.00 61.69 63.76 3mug s THR 163 Cb -0.10 -4.06 -0.12 0.00 0.01 0.00 0.00 72.50 68.23 3mug s THR 163 CO 0.46 0.40 1.08 -2.65 -0.69 0.00 0.00 174.62 173.21 3mug n PRO 164 N 2.68 1.53 -4.18 4.92 -0.02 -1.26 -4.85 135.00 133.81 3mug n PRO 164 Ca -0.04 0.54 -0.16 0.00 -2.02 0.00 0.00 63.50 61.83 3mug n PRO 164 Cb 0.50 -2.05 -0.11 0.00 -0.02 0.00 0.00 33.50 31.82 3mug n PRO 164 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3mug s SER 165 N -0.58 1.57 0.40 2.55 1.04 -0.58 -4.93 113.70 113.17 3mug s SER 165 Ca 0.60 -0.78 -0.26 0.00 0.48 0.00 0.00 55.95 56.00 3mug s SER 165 Cb -0.60 -0.01 -0.09 0.00 0.10 0.00 0.00 66.02 65.42 3mug s SER 165 CO 0.59 -0.21 1.25 -0.54 0.98 0.00 0.00 173.24 175.31 3mug s LYS 166 N -2.58 4.02 -0.79 4.02 1.02 -1.26 -1.71 119.74 122.46 3mug s LYS 166 Ca 0.05 2.03 0.02 0.00 0.02 0.00 0.00 55.97 58.08 3mug s LYS 166 Cb -0.05 -2.74 0.32 0.00 -0.52 0.00 0.00 37.83 34.84 3mug s LYS 166 CO 0.01 -0.41 1.29 0.00 -0.92 0.00 0.00 175.35 175.32 3mug n GLN 167 N 0.14 4.07 0.00 1.68 10.64 0.15 -4.85 117.38 129.22 3mug n GLN 167 Ca 0.04 -4.75 0.00 0.00 -1.83 0.00 0.00 57.00 50.46 3mug n GLN 167 Cb 0.45 -2.35 0.00 0.00 -0.86 0.00 0.00 30.24 27.48 3mug n GLN 167 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3mug n SER 168 N 0.07 0.00 -1.05 2.61 3.41 -1.26 -4.34 113.62 113.06 3mug n SER 168 Ca 0.36 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.96 3mug n SER 168 Cb 0.34 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.39 3mug n SER 168 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3mug n ASN 170 N 0.19 2.64 0.00 4.04 0.23 -1.26 -4.88 115.26 116.22 3mug n ASN 170 Ca 0.00 -2.33 0.00 0.00 -0.53 0.00 0.00 54.58 51.72 3mug n ASN 170 Cb 0.00 -0.57 0.00 0.00 -2.08 0.00 0.00 39.78 37.13 3mug n ASN 170 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3mug n ASN 171 N 0.13 0.00 -4.92 0.53 3.02 -1.26 -4.99 115.26 107.78 3mug n ASN 171 Ca 0.11 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.39 3mug n ASN 171 Cb 0.62 -1.19 0.05 0.00 -0.61 0.00 0.00 39.78 38.66 3mug n ASN 171 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3mug s LYS 172 N -0.22 2.59 0.34 3.52 1.02 -1.26 -4.77 119.74 120.95 3mug s LYS 172 Ca 0.00 -0.04 0.07 0.00 0.02 0.00 0.00 55.97 56.02 3mug s LYS 172 Cb 0.00 -2.19 -0.01 0.00 -0.52 0.00 0.00 37.83 35.11 3mug s LYS 172 CO 0.00 -0.99 0.41 0.71 -0.92 0.00 0.00 175.35 174.56 3mug s TYR 173 N -3.16 3.04 0.02 3.18 2.02 -0.11 0.34 117.35 122.68 3mug s TYR 173 Ca 0.57 -0.25 -0.16 0.00 -0.37 0.00 0.00 57.07 56.87 3mug s TYR 173 Cb -0.11 -1.94 0.03 0.00 -0.40 0.00 0.00 41.96 39.54 3mug s TYR 173 CO 0.46 0.04 0.34 0.00 -1.57 0.00 0.00 175.55 174.82 3mug s ALA 174 N -2.22 -0.82 0.20 3.71 0.00 -0.69 -1.01 121.76 120.93 3mug s ALA 174 Ca 0.44 0.24 -0.13 0.00 0.00 0.00 0.00 51.96 52.50 3mug s ALA 174 Cb -0.08 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.25 3mug s ALA 174 CO 0.30 -0.35 0.43 0.00 0.00 0.00 0.00 175.76 176.13 3mug s ALA 175 N -1.97 -0.41 0.00 0.00 0.00 0.77 -1.53 121.76 118.62 3mug s ALA 175 Ca -0.09 -0.64 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 3mug s ALA 175 Cb -0.03 0.92 -0.00 0.00 0.00 0.00 0.00 23.12 24.01 3mug s ALA 175 CO 0.01 -0.77 0.10 -1.54 0.00 0.00 0.00 175.76 173.56 3mug s SER 176 N -2.95 0.06 0.01 0.00 1.04 -1.26 -0.84 113.70 109.77 3mug s SER 176 Ca 0.16 -0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.37 3mug s SER 176 Cb 0.01 0.18 -0.01 0.00 0.10 0.00 0.00 66.02 66.30 3mug s SER 176 CO 0.02 -0.33 -0.06 -0.55 0.98 0.00 0.00 173.24 173.30 3mug s SER 177 N -1.28 0.70 -0.02 7.02 0.15 -0.49 -0.73 113.70 119.03 3mug s SER 177 Ca -0.14 -0.20 0.05 0.00 0.70 0.00 0.00 55.95 56.37 3mug s SER 177 Cb -0.08 -0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.17 3mug s SER 177 CO 0.01 0.01 -0.19 -0.31 1.20 0.00 0.00 173.24 173.96 3mug s TYR 178 N -0.41 1.75 -0.29 3.44 2.02 0.70 -0.80 117.35 123.76 3mug s TYR 178 Ca -0.01 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.33 3mug s TYR 178 Cb -0.04 -1.14 0.07 0.00 -0.40 0.00 0.00 41.96 40.45 3mug s TYR 178 CO -0.00 -0.08 -0.05 -1.17 -1.57 0.00 0.00 175.55 172.68 3mug s LEU 179 N -0.29 3.89 -0.07 -1.29 2.96 -0.74 -1.58 118.68 121.56 3mug s LEU 179 Ca 0.04 -1.64 -0.23 0.00 -0.22 0.00 0.00 54.13 52.07 3mug s LEU 179 Cb -0.09 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 3mug s LEU 179 CO 0.00 -0.25 0.69 -0.44 -1.32 0.00 0.00 176.35 175.03 3mug s SER 180 N 1.05 6.98 0.20 3.68 0.01 -0.57 -1.27 113.70 123.78 3mug s SER 180 Ca -0.02 1.18 0.00 0.00 1.31 0.00 0.00 55.95 58.42 3mug s SER 180 Cb -0.20 -2.41 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 3mug s SER 180 CO -0.06 -0.11 0.07 -0.76 0.41 0.00 0.00 173.24 172.79 3mug s LEU 181 N 0.79 1.67 0.40 2.44 1.43 -0.31 -4.70 118.68 120.41 3mug s LEU 181 Ca 0.37 -1.30 -0.09 0.00 -1.03 0.00 0.00 54.13 52.08 3mug s LEU 181 Cb -0.18 0.13 -0.06 0.00 0.03 0.00 0.00 46.19 46.11 3mug s LEU 181 CO 0.18 -0.71 0.74 0.42 0.23 0.00 0.00 176.35 177.21 3mug s THR 182 N -3.87 4.83 0.58 5.49 -4.23 -1.26 -2.61 115.64 114.58 3mug s THR 182 Ca 0.32 0.49 0.28 0.00 -1.18 0.00 0.00 61.69 61.60 3mug s THR 182 Cb 0.07 -3.75 0.35 0.00 1.34 0.00 0.00 72.50 70.51 3mug s THR 182 CO 0.09 -0.54 2.16 -0.65 -0.54 0.00 0.00 174.62 175.13 3mug h PRO 183 N 1.15 0.00 -0.16 3.99 0.11 -1.82 -2.60 132.00 132.67 3mug h PRO 183 Ca -0.47 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 3mug h PRO 183 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3mug h PRO 183 CO 0.64 0.00 -0.21 0.93 -0.21 0.00 0.00 178.00 179.15 3mug h GLU 184 N 0.00 0.43 -0.63 1.05 3.07 -1.98 -2.76 114.58 113.76 3mug h GLU 184 Ca 0.05 -0.25 -0.01 0.00 -0.50 0.00 0.00 59.36 58.66 3mug h GLU 184 Cb 0.29 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.19 3mug h GLU 184 CO -0.00 0.83 0.35 1.96 -1.40 0.00 0.00 179.01 180.75 3mug h GLN 185 N 0.07 0.88 -0.80 2.33 4.20 -1.86 -1.66 115.11 118.27 3mug h GLN 185 Ca 0.02 -0.10 0.06 0.00 0.06 0.00 0.00 58.65 58.69 3mug h GLN 185 Cb 0.77 -0.17 -0.06 0.00 0.30 0.00 0.00 27.48 28.32 3mug h GLN 185 CO 0.05 0.66 0.49 2.35 -0.67 0.00 0.00 178.83 181.70 3mug h TRP 186 N 0.86 0.90 0.00 2.96 2.91 -1.50 -2.32 115.95 119.76 3mug h TRP 186 Ca 0.22 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.27 3mug h TRP 186 Cb 0.03 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 28.39 3mug h TRP 186 CO -0.01 0.46 -0.31 0.87 -1.03 0.00 0.00 178.44 178.42 3mug h LYS 187 N 0.90 0.00 0.00 2.65 1.57 -1.31 -3.34 116.57 117.04 3mug h LYS 187 Ca 0.34 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 3mug h LYS 187 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3mug h LYS 187 CO -0.16 0.00 -0.07 0.77 -0.57 0.00 0.00 179.45 179.42 3mug h SER 188 N 0.00 0.00 -3.50 0.86 0.02 -0.72 -3.46 113.55 106.75 3mug h SER 188 Ca 0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 3mug h SER 188 Cb 0.80 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.20 3mug h SER 188 CO 0.00 0.07 -0.71 -1.00 -1.14 0.00 0.00 176.83 174.05 3mug s HIS 189 N -3.36 2.85 0.26 3.45 3.76 -1.20 -5.05 115.29 116.00 3mug s HIS 189 Ca 0.04 -0.09 0.06 0.00 -0.15 0.00 0.00 55.06 54.92 3mug s HIS 189 Cb 0.07 -1.50 0.32 0.00 1.11 0.00 0.00 32.58 32.57 3mug s HIS 189 CO 0.64 0.43 1.60 1.57 -0.85 0.00 0.00 174.74 178.13 3mug h LYS 190 N 3.76 0.20 -3.39 1.40 -0.00 -1.90 -3.42 116.57 113.22 3mug h LYS 190 Ca -0.48 -0.13 -0.02 0.00 -0.00 0.00 0.00 60.65 60.02 3mug h LYS 190 Cb 1.17 0.01 -0.09 0.00 -0.00 0.00 0.00 32.23 33.32 3mug h LYS 190 CO 0.55 0.71 -0.00 -1.54 -0.00 0.00 0.00 179.45 179.16 3mug s SER 191 N -6.89 -0.20 0.00 7.07 1.04 -1.26 -4.24 113.70 109.23 3mug s SER 191 Ca -0.04 -0.65 0.01 0.00 0.48 0.00 0.00 55.95 55.76 3mug s SER 191 Cb 0.12 0.60 -0.00 0.00 0.10 0.00 0.00 66.02 66.84 3mug s SER 191 CO 0.79 -1.11 -0.03 -0.31 0.98 0.00 0.00 173.24 173.55 3mug s TYR 192 N -3.93 0.27 0.02 5.02 1.51 -0.26 -0.75 117.35 119.23 3mug s TYR 192 Ca 0.14 -0.08 0.03 0.00 -1.01 0.00 0.00 57.07 56.14 3mug s TYR 192 Cb -0.01 -0.17 -0.01 0.00 -0.11 0.00 0.00 41.96 41.65 3mug s TYR 192 CO 0.02 -0.01 -0.08 -1.12 -1.11 0.00 0.00 175.55 173.25 3mug s SER 193 N -0.18 0.93 -0.24 2.29 0.01 0.30 -1.25 113.70 115.56 3mug s SER 193 Ca 0.00 -0.31 -0.04 0.00 1.31 0.00 0.00 55.95 56.91 3mug s SER 193 Cb -0.02 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.16 3mug s SER 193 CO -0.00 -0.02 -0.03 0.00 0.41 0.00 0.00 173.24 173.60 3mug s GLN 195 N 1.45 3.20 -0.16 0.00 0.74 0.94 -1.76 119.66 124.07 3mug s GLN 195 Ca 0.04 -0.75 -0.01 0.00 0.05 0.00 0.00 55.36 54.69 3mug s GLN 195 Cb -0.15 -3.07 -0.01 0.00 1.10 0.00 0.00 33.01 30.88 3mug s GLN 195 CO -0.03 -0.29 -0.12 0.08 -0.55 0.00 0.00 175.29 174.38 3mug s VAL 196 N 1.45 3.00 -0.17 1.34 1.01 0.31 -0.92 120.40 126.42 3mug s VAL 196 Ca 0.04 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 3mug s VAL 196 Cb -0.15 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 3mug s VAL 196 CO -0.02 0.50 -0.03 -0.89 0.00 0.00 0.00 175.10 174.65 3mug s THR 197 N 0.79 3.79 -0.09 3.92 2.01 0.32 -1.32 115.64 125.05 3mug s THR 197 Ca -0.04 -0.38 -0.04 0.00 0.31 0.00 0.00 61.69 61.54 3mug s THR 197 Cb -0.15 -2.68 0.05 0.00 0.01 0.00 0.00 72.50 69.73 3mug s THR 197 CO 0.01 0.47 0.18 -2.28 -0.69 0.00 0.00 174.62 172.31 3mug s HIS 198 N 0.66 -0.23 -1.35 4.92 2.46 -0.00 -1.30 115.29 120.44 3mug s HIS 198 Ca -0.02 0.69 -0.05 0.00 0.47 0.00 0.00 55.06 56.14 3mug s HIS 198 Cb -0.14 -0.19 0.02 0.00 -0.13 0.00 0.00 32.58 32.13 3mug s HIS 198 CO 0.02 -0.28 0.93 0.39 -2.47 0.00 0.00 174.74 173.33 3mug n GLU 199 N 5.23 -6.05 0.00 2.88 -0.58 -1.26 -1.84 120.64 119.02 3mug n GLU 199 Ca -0.07 0.71 0.00 0.00 -0.42 0.00 0.00 57.16 57.38 3mug n GLU 199 Cb 0.50 -5.55 0.00 0.00 -0.57 0.00 0.00 31.44 25.82 3mug n GLU 199 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mug n GLY 200 N -1.60 1.97 3.91 0.62 0.00 -1.26 -4.99 105.19 103.84 3mug n GLY 200 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 3mug n GLY 200 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mug s SER 203 N -1.97 6.46 -0.02 1.61 0.01 -0.77 -5.09 113.70 113.94 3mug s SER 203 Ca 0.00 0.61 0.04 0.00 1.31 0.00 0.00 55.95 57.92 3mug s SER 203 Cb 0.00 -2.10 -0.01 0.00 0.21 0.00 0.00 66.02 64.12 3mug s SER 203 CO 0.00 -0.07 -0.15 -0.89 0.41 0.00 0.00 173.24 172.54 3mug s THR 204 N -1.88 1.18 -0.09 1.44 2.01 -1.26 -0.82 115.64 116.22 3mug s THR 204 Ca 0.42 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.83 3mug s THR 204 Cb -0.11 -0.99 -0.01 0.00 0.01 0.00 0.00 72.50 71.39 3mug s THR 204 CO 0.27 0.34 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.66 3mug s VAL 205 N -0.23 2.60 -0.08 3.82 1.01 -0.44 -4.99 120.40 122.09 3mug s VAL 205 Ca 0.03 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3mug s VAL 205 Cb -0.07 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.31 3mug s VAL 205 CO -0.00 0.56 -0.07 -0.70 0.00 0.00 0.00 175.10 174.89 3mug s GLU 206 N -0.02 1.31 0.02 2.72 2.12 -1.26 -0.53 118.70 123.06 3mug s GLU 206 Ca -0.06 -0.22 0.03 0.00 0.36 0.00 0.00 54.97 55.09 3mug s GLU 206 Cb -0.15 -1.31 -0.04 0.00 0.26 0.00 0.00 34.13 32.90 3mug s GLU 206 CO 0.05 -0.16 -0.02 0.15 -0.54 0.00 0.00 175.26 174.74 3mug s LYS 207 N 1.33 2.66 -0.03 4.30 -0.14 -0.72 -4.98 119.74 122.15 3mug s LYS 207 Ca -0.03 -0.70 0.04 0.00 -1.36 0.00 0.00 55.97 53.92 3mug s LYS 207 Cb -0.14 -2.59 -0.00 0.00 -1.68 0.00 0.00 37.83 33.42 3mug s LYS 207 CO -0.03 0.60 -0.16 0.99 -0.76 0.00 0.00 175.35 175.99 3mug s THR 208 N -1.12 1.29 0.09 2.17 2.01 -1.26 -1.71 115.64 117.11 3mug s THR 208 Ca 0.20 -0.65 0.08 0.00 0.31 0.00 0.00 61.69 61.64 3mug s THR 208 Cb -0.11 -1.11 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 3mug s THR 208 CO 0.12 0.37 -0.22 0.68 -0.69 0.00 0.00 174.62 174.88 3mug s VAL 209 N -0.01 1.79 0.06 3.82 -7.23 -0.38 -4.99 120.40 113.45 3mug s VAL 209 Ca -0.02 -1.48 0.06 0.00 -1.81 0.00 0.00 61.98 58.73 3mug s VAL 209 Cb -0.10 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 3mug s VAL 209 CO 0.01 0.04 -0.17 0.00 -0.31 0.00 0.00 175.10 174.67 3mug s ALA 210 N -1.05 1.45 -0.08 1.32 0.00 -1.26 -1.10 121.76 121.03 3mug s ALA 210 Ca 0.08 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 50.76 3mug s ALA 210 Cb -0.10 -0.23 -0.07 0.00 0.00 0.00 0.00 23.12 22.73 3mug s ALA 210 CO 0.04 0.29 2.04 -2.14 0.00 0.00 0.00 175.76 175.98 3mug s PRO 211 N -1.36 3.72 0.00 0.00 0.02 -1.26 -5.05 135.00 131.07 3mug s PRO 211 Ca 0.04 2.31 0.14 0.00 0.02 0.00 0.00 61.00 63.51 3mug s PRO 211 Cb -0.09 -4.23 0.11 0.00 0.02 0.00 0.00 34.50 30.31 3mug s PRO 211 CO 0.02 -1.43 0.93 0.25 -0.33 0.00 0.00 177.00 176.45