#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mug s LEU 4 N 0.00 3.56 -0.25 0.00 1.43 -0.84 -4.92 118.68 117.66 3mug s LEU 4 Ca 0.00 2.02 -0.11 0.00 -1.03 0.00 0.00 54.13 55.01 3mug s LEU 4 Cb 0.00 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.61 3mug s LEU 4 CO 0.00 -1.35 0.18 -0.89 0.23 0.00 0.00 176.35 174.52 3mug s THR 5 N -2.14 5.34 0.09 5.49 2.01 -0.09 -2.57 115.64 123.77 3mug s THR 5 Ca 0.68 0.20 0.06 0.00 0.31 0.00 0.00 61.69 62.94 3mug s THR 5 Cb -0.21 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 3mug s THR 5 CO 0.34 0.32 -0.16 -1.10 -0.69 0.00 0.00 174.62 173.33 3mug s GLN 6 N 1.24 0.95 0.42 4.92 -0.21 -1.26 -0.07 119.66 125.66 3mug s GLN 6 Ca 0.08 -1.08 -0.24 0.00 0.02 0.00 0.00 55.36 54.14 3mug s GLN 6 Cb -0.14 -1.01 -0.08 0.00 1.00 0.00 0.00 33.01 32.77 3mug s GLN 6 CO 0.06 0.22 1.16 -1.25 -2.12 0.00 0.00 175.29 173.36 3mug s PRO 7 N -1.98 3.95 0.31 2.91 0.04 -1.26 -4.81 135.00 134.15 3mug s PRO 7 Ca 0.03 1.78 0.05 0.00 0.04 0.00 0.00 61.00 62.90 3mug s PRO 7 Cb -0.09 -2.56 0.50 0.00 0.04 0.00 0.00 34.50 32.39 3mug s PRO 7 CO 0.03 -0.39 1.76 0.00 0.04 0.00 0.00 177.00 178.44 3mug h ALA 8 N 2.39 1.20 -3.61 8.56 0.00 -1.90 -3.36 119.26 122.54 3mug h ALA 8 Ca -0.49 -0.32 -0.27 0.00 0.00 0.00 0.00 54.91 53.83 3mug h ALA 8 Cb 1.24 -0.11 -0.31 0.00 0.00 0.00 0.00 17.79 18.60 3mug h ALA 8 CO 0.62 0.52 -0.73 0.45 0.00 0.00 0.00 179.25 180.11 3mug s SER 9 N -6.83 0.04 -0.05 0.00 0.15 -1.26 -1.00 113.70 104.75 3mug s SER 9 Ca -0.06 0.02 0.01 0.00 0.70 0.00 0.00 55.95 56.62 3mug s SER 9 Cb 0.14 -0.04 0.02 0.00 -1.71 0.00 0.00 66.02 64.43 3mug s SER 9 CO 0.77 -0.08 -0.05 -0.69 1.20 0.00 0.00 173.24 174.40 3mug s VAL 11 N 0.62 0.58 0.16 4.45 1.01 -0.48 -4.41 120.40 122.34 3mug s VAL 11 Ca -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 3mug s VAL 11 Cb -0.07 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 3mug s VAL 11 CO -0.02 0.24 0.10 -0.94 0.00 0.00 0.00 175.10 174.48 3mug s SER 12 N 1.00 0.23 0.12 3.32 1.04 -1.26 -2.16 113.70 115.99 3mug s SER 12 Ca -0.10 -1.28 -0.26 0.00 0.48 0.00 0.00 55.95 54.79 3mug s SER 12 Cb -0.14 0.34 0.07 0.00 0.10 0.00 0.00 66.02 66.39 3mug s SER 12 CO -0.00 -0.79 1.01 -0.83 0.98 0.00 0.00 173.24 173.61 3mug s GLY 13 N -3.10 -0.27 0.50 7.32 0.00 -1.00 -4.97 107.32 105.81 3mug s GLY 13 Ca 0.31 0.24 -0.04 0.00 0.00 0.00 0.00 44.72 45.23 3mug s GLY 13 CO 0.06 0.03 0.78 -0.56 0.00 0.00 0.00 173.10 173.42 3mug s SER 14 N -2.93 6.01 0.27 1.64 0.01 -1.26 -0.92 113.70 116.52 3mug s SER 14 Ca 0.12 0.74 -0.30 0.00 1.31 0.00 0.00 55.95 57.82 3mug s SER 14 Cb -0.00 -1.97 -0.14 0.00 0.21 0.00 0.00 66.02 64.12 3mug s SER 14 CO 0.01 -0.71 1.26 -2.65 0.41 0.00 0.00 173.24 171.56 3mug n PRO 15 N -2.29 1.80 0.00 12.44 -0.02 -1.26 -2.29 135.00 143.38 3mug n PRO 15 Ca 0.01 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3mug n PRO 15 Cb 0.56 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 1.60 2.40 3.79 -1.23 0.00 -0.30 -4.90 105.19 106.55 3mug n GLY 16 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.44 2.21 -0.22 1.61 -0.21 -0.97 -3.49 119.66 118.15 3mug s GLN 17 Ca 0.00 0.86 -0.08 0.00 0.02 0.00 0.00 55.36 56.16 3mug s GLN 17 Cb 0.00 -1.92 -0.04 0.00 1.00 0.00 0.00 33.01 32.06 3mug s GLN 17 CO 0.00 -1.58 0.08 -0.08 -2.12 0.00 0.00 175.29 171.58 3mug s THR 18 N -3.04 4.63 0.19 -0.19 -1.32 -1.26 -1.33 115.64 113.32 3mug s THR 18 Ca 0.60 -0.08 0.11 0.00 -1.21 0.00 0.00 61.69 61.12 3mug s THR 18 Cb -0.15 -3.13 -0.04 0.00 -1.51 0.00 0.00 72.50 67.66 3mug s THR 18 CO 0.55 0.38 -0.22 0.27 -2.21 0.00 0.00 174.62 173.40 3mug s ILE 19 N 1.07 2.49 -0.02 5.08 -4.36 -0.39 -4.98 121.20 120.09 3mug s ILE 19 Ca 0.05 -1.97 0.04 0.00 -0.26 0.00 0.00 60.65 58.50 3mug s ILE 19 Cb -0.14 -2.20 -0.01 0.00 1.25 0.00 0.00 42.46 41.36 3mug s ILE 19 CO 0.03 -0.12 -0.13 -0.89 0.24 0.00 0.00 174.94 174.07 3mug s THR 20 N -1.68 1.08 -0.20 8.37 2.01 -1.26 -1.08 115.64 122.88 3mug s THR 20 Ca 0.21 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 3mug s THR 20 Cb -0.08 -0.92 0.01 0.00 0.01 0.00 0.00 72.50 71.52 3mug s THR 20 CO 0.11 0.31 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.60 3mug s ILE 21 N -0.15 2.66 0.32 1.82 1.01 0.17 -4.96 121.20 122.07 3mug s ILE 21 Ca 0.02 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.85 3mug s ILE 21 Cb -0.07 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.17 3mug s ILE 21 CO 0.00 0.46 0.58 -0.94 0.00 0.00 0.00 174.94 175.04 3mug s SER 22 N 1.37 6.41 -0.27 3.58 1.04 -1.26 -0.94 113.70 123.62 3mug s SER 22 Ca 0.05 0.71 -0.02 0.00 0.48 0.00 0.00 55.95 57.17 3mug s SER 22 Cb -0.14 -2.14 0.12 0.00 0.10 0.00 0.00 66.02 63.95 3mug s SER 22 CO -0.08 -0.25 0.23 0.00 0.98 0.00 0.00 173.24 174.11 3mug s ASN 24 N 2.27 6.47 0.00 0.00 0.01 0.90 -1.12 114.94 123.47 3mug s ASN 24 Ca 0.09 0.56 0.00 0.00 -0.71 0.00 0.00 52.86 52.80 3mug s ASN 24 Cb -0.15 -2.28 0.00 0.00 0.41 0.00 0.00 41.25 39.23 3mug s ASN 24 CO -0.30 -0.22 0.00 0.61 -1.51 0.00 0.00 177.10 175.68 3mug n GLY 25 N 4.18 5.84 0.00 0.66 0.00 0.44 -0.91 105.19 115.39 3mug n GLY 25 Ca -0.05 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 -4.83 114.28 108.55 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 -0.52 113.62 118.67 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 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 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 0.23 0.00 -0.06 4.04 5.68 -1.26 -1.04 116.55 124.14 3mug n ASP 27 Ca 0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.21 3mug n ASP 27 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 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 0.89 0.00 2.12 2.07 -1.71 -2.36 116.25 117.25 3mug h VAL 27 Ca 0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3mug h VAL 27 Cb 0.00 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3mug h VAL 27 CO 0.00 0.03 0.00 1.23 0.02 0.00 0.00 177.57 178.85 3mug h GLY 28 N 0.14 0.00 1.25 2.17 0.00 -0.93 -3.30 103.07 102.40 3mug h GLY 28 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.18 3mug h GLY 28 CO -0.15 0.00 -1.50 -1.33 0.00 0.00 0.00 176.54 173.56 3mug h GLY 29 N 3.36 0.00 -3.06 4.60 0.00 -1.54 -3.48 103.07 102.95 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 -2.65 0.70 -0.90 5.60 0.08 -0.94 -4.97 117.98 114.90 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 0.08 -0.44 0.33 0.00 -0.57 0.00 0.00 43.02 42.43 3mug s PHE 30 CO 0.82 -0.44 1.99 -0.25 -0.10 0.00 0.00 175.22 177.24 3mug n ASP 31 N 0.00 7.47 -2.47 1.36 9.92 -1.26 -4.69 116.55 126.88 3mug n ASP 31 Ca -0.10 -3.77 -0.20 0.00 -0.53 0.00 0.00 54.79 50.19 3mug n ASP 31 Cb 0.62 -1.11 0.01 0.00 -0.64 0.00 0.00 41.12 40.01 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 -0.33 3.75 -4.67 -2.24 7.64 -1.26 -4.18 113.62 112.34 3mug n SER 32 Ca 0.52 -3.36 -0.37 0.00 1.01 0.00 0.00 58.87 56.67 3mug n SER 32 Cb 0.25 -0.46 -0.09 0.00 -1.01 0.00 0.00 64.21 62.90 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 -4.69 5.32 0.15 0.44 1.01 -1.26 -3.33 120.40 118.04 3mug s VAL 33 Ca 0.42 0.34 0.09 0.00 0.00 0.00 0.00 61.98 62.83 3mug s VAL 33 Cb 0.41 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 3mug s VAL 33 CO -0.09 0.33 -0.20 -0.94 0.00 0.00 0.00 175.10 174.20 3mug s SER 34 N 0.98 2.79 -0.03 3.32 1.04 -0.43 -1.29 113.70 120.08 3mug s SER 34 Ca 0.11 -0.80 0.06 0.00 0.48 0.00 0.00 55.95 55.80 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 0.05 0.03 -0.21 0.26 0.98 0.00 0.00 173.24 174.35 3mug s TRP 35 N -1.65 1.98 -0.03 5.02 0.52 0.09 -0.49 118.94 124.38 3mug s TRP 35 Ca 0.13 -0.46 0.05 0.00 0.02 0.00 0.00 56.10 55.84 3mug s TRP 35 Cb -0.08 -1.29 -0.01 0.00 -1.15 0.00 0.00 33.47 30.95 3mug s TRP 35 CO 0.06 -0.10 -0.17 0.71 0.02 0.00 0.00 176.95 177.47 3mug s TYR 36 N -0.31 1.67 -0.13 -1.98 1.51 -0.03 -0.41 117.35 117.67 3mug s TYR 36 Ca 0.03 -0.41 -0.03 0.00 -1.01 0.00 0.00 57.07 55.64 3mug s TYR 36 Cb -0.10 -1.10 -0.03 0.00 -0.11 0.00 0.00 41.96 40.61 3mug s TYR 36 CO 0.01 -0.11 -0.00 -1.14 -1.11 0.00 0.00 175.55 173.20 3mug s GLN 37 N -0.15 3.41 -0.22 -0.62 0.74 -0.16 -0.44 119.66 122.21 3mug s GLN 37 Ca 0.01 -0.44 -0.00 0.00 0.05 0.00 0.00 55.36 54.98 3mug s GLN 37 Cb -0.10 -2.91 0.06 0.00 1.10 0.00 0.00 33.01 31.16 3mug s GLN 37 CO 0.01 0.46 -0.04 -1.14 -0.55 0.00 0.00 175.29 174.03 3mug s GLN 38 N -0.21 1.46 0.31 1.67 0.74 0.10 -1.27 119.66 122.46 3mug s GLN 38 Ca 0.05 -0.83 -0.14 0.00 0.05 0.00 0.00 55.36 54.49 3mug s GLN 38 Cb -0.12 -2.43 -0.09 0.00 1.10 0.00 0.00 33.01 31.47 3mug s GLN 38 CO 0.02 -0.58 0.71 -1.12 -0.55 0.00 0.00 175.29 173.77 3mug s SER 39 N 1.50 6.74 0.04 6.67 0.01 -1.26 -1.37 113.70 126.03 3mug s SER 39 Ca -0.04 1.21 -0.34 0.00 1.31 0.00 0.00 55.95 58.10 3mug s SER 39 Cb -0.18 -2.35 -0.12 0.00 0.21 0.00 0.00 66.02 63.58 3mug s SER 39 CO -0.07 -0.19 1.76 -0.81 0.41 0.00 0.00 173.24 174.34 3mug n PRO 40 N -0.37 2.26 -0.94 12.44 -0.04 -1.26 -1.21 135.00 145.88 3mug n PRO 40 Ca 0.03 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.31 3mug n PRO 40 Cb 0.53 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 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 3.99 0.72 3.65 0.55 0.00 -1.26 -5.02 105.19 107.83 3mug n GLY 41 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.21 2.38 0.57 1.61 3.01 -0.35 -5.12 119.74 121.63 3mug s LYS 42 Ca 0.00 -0.99 -0.20 0.00 -1.01 0.00 0.00 55.97 53.77 3mug s LYS 42 Cb 0.00 -2.41 -0.04 0.00 -1.01 0.00 0.00 37.83 34.37 3mug s LYS 42 CO 0.00 0.50 1.28 0.00 0.51 0.00 0.00 175.35 177.64 3mug s ALA 43 N -1.44 2.66 0.69 5.17 0.00 -1.26 -4.43 121.76 123.15 3mug s ALA 43 Ca 0.25 1.18 -0.15 0.00 0.00 0.00 0.00 51.96 53.24 3mug s ALA 43 Cb -0.11 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.51 3mug s ALA 43 CO 0.17 -1.30 1.14 -2.14 0.00 0.00 0.00 175.76 173.64 3mug s PRO 44 N -3.10 2.54 -0.01 0.00 0.02 -1.26 -4.66 135.00 128.52 3mug s PRO 44 Ca 0.75 1.52 0.01 0.00 0.02 0.00 0.00 61.00 63.30 3mug s PRO 44 Cb -0.36 -1.91 0.01 0.00 0.02 0.00 0.00 34.50 32.26 3mug s PRO 44 CO 0.41 -1.47 -0.03 -1.59 -0.33 0.00 0.00 177.00 173.99 3mug s LYS 45 N -4.04 0.34 0.17 5.54 0.00 -0.40 -4.95 119.74 116.41 3mug s LYS 45 Ca 0.69 -0.08 -0.31 0.00 0.00 0.00 0.00 55.97 56.27 3mug s LYS 45 Cb -0.23 -0.38 -0.10 0.00 0.00 0.00 0.00 37.83 37.12 3mug s LYS 45 CO 0.43 0.02 1.50 0.54 0.00 0.00 0.00 175.35 177.83 3mug s VAL 46 N 0.26 2.80 -0.14 1.79 0.11 -1.26 -0.99 120.40 122.97 3mug s VAL 46 Ca -0.02 0.59 -0.01 0.00 -2.93 0.00 0.00 61.98 59.61 3mug s VAL 46 Cb -0.05 -3.38 -0.08 0.00 -1.53 0.00 0.00 36.38 31.33 3mug s VAL 46 CO -0.01 0.05 -0.14 0.23 -3.33 0.00 0.00 175.10 171.91 3mug n MET 47 N 3.67 0.33 -3.88 1.54 2.81 0.45 -4.86 117.12 117.18 3mug n MET 47 Ca 0.12 0.09 -0.11 0.00 -1.81 0.00 0.00 57.70 55.99 3mug n MET 47 Cb 0.40 -1.20 -0.10 0.00 -0.71 0.00 0.00 33.22 31.61 3mug n MET 47 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3mug s VAL 48 N -2.27 0.08 0.07 2.03 1.01 -1.20 -4.20 120.40 115.93 3mug s VAL 48 Ca -0.19 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 3mug s VAL 48 Cb 0.06 -0.41 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 3mug s VAL 48 CO 0.30 -0.37 0.16 0.72 0.00 0.00 0.00 175.10 175.90 3mug s PHE 49 N -1.32 0.18 -1.42 5.22 -0.71 0.55 -0.73 117.98 119.74 3mug s PHE 49 Ca -0.14 -0.58 -0.00 0.00 -1.04 0.00 0.00 56.93 55.17 3mug s PHE 49 Cb -0.08 -0.10 0.00 0.00 -1.21 0.00 0.00 43.02 41.64 3mug s PHE 49 CO 0.01 -0.49 0.36 -0.25 -1.34 0.00 0.00 175.22 173.51 3mug n ASP 50 N 0.15 -0.17 0.00 1.98 8.00 -0.82 -1.35 116.55 124.33 3mug n ASP 50 Ca -0.16 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.30 3mug n ASP 50 Cb 0.61 -2.86 0.00 0.00 -0.02 0.00 0.00 41.12 38.85 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 -4.43 0.00 -0.14 2.53 0.31 -0.41 -4.01 118.33 112.19 3mug n VAL 51 Ca -0.31 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 3mug n VAL 51 Cb 0.69 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.62 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 2.30 1.17 -4.81 4.52 3.41 -1.22 -3.57 113.62 115.43 3mug n SER 52 Ca 0.00 -1.31 -0.39 0.00 -0.26 0.00 0.00 58.87 56.92 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 -0.31 3.78 -0.15 7.33 4.02 -0.45 -4.54 115.29 124.97 3mug s HIS 53 Ca 0.00 1.23 -0.05 0.00 1.02 0.00 0.00 55.06 57.26 3mug s HIS 53 Cb 0.00 -2.49 -0.04 0.00 -1.02 0.00 0.00 32.58 29.03 3mug s HIS 53 CO 0.00 0.56 0.04 1.03 1.02 0.00 0.00 174.74 177.40 3mug s ARG 54 N -0.98 3.63 1.02 1.40 0.52 -1.26 -0.33 118.95 122.94 3mug s ARG 54 Ca 0.29 -0.36 -0.12 0.00 -0.52 0.00 0.00 55.73 55.02 3mug s ARG 54 Cb -0.19 -3.07 0.20 0.00 0.52 0.00 0.00 34.95 32.41 3mug s ARG 54 CO 0.18 0.44 1.08 -2.14 0.02 0.00 0.00 175.30 174.88 3mug s PRO 55 N -0.12 0.24 0.26 3.54 0.02 -1.26 -4.94 135.00 132.73 3mug s PRO 55 Ca 0.06 0.62 -0.30 0.00 0.02 0.00 0.00 61.00 61.40 3mug s PRO 55 Cb -0.12 -1.71 -0.11 0.00 0.02 0.00 0.00 34.50 32.59 3mug s PRO 55 CO 0.01 -2.89 1.51 -1.12 -0.33 0.00 0.00 177.00 174.19 3mug s SER 56 N -3.26 6.54 0.00 2.53 0.01 -1.26 -2.86 113.70 115.40 3mug s SER 56 Ca 0.66 2.78 0.00 0.00 1.31 0.00 0.00 55.95 60.69 3mug s SER 56 Cb -0.20 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.41 3mug s SER 56 CO 0.59 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 174.05 3mug n GLY 57 N 2.30 1.92 3.69 3.44 0.00 -1.26 -5.05 105.19 110.23 3mug n GLY 57 Ca 0.08 0.00 -0.41 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 -2.36 4.92 0.39 -0.61 1.09 -1.13 -5.03 121.20 118.47 3mug s ILE 58 Ca 0.00 1.65 -0.25 0.00 -1.10 0.00 0.00 60.65 60.95 3mug s ILE 58 Cb 0.00 -4.14 -0.11 0.00 -1.06 0.00 0.00 42.46 37.15 3mug s ILE 58 CO 0.00 0.11 1.02 -0.24 -0.10 0.00 0.00 174.94 175.73 3mug n SER 59 N 4.63 1.33 0.00 3.58 2.88 -1.26 -4.89 113.62 119.88 3mug n SER 59 Ca 0.03 1.07 0.04 0.00 -1.33 0.00 0.00 58.87 58.68 3mug n SER 59 Cb 0.50 -1.35 0.17 0.00 -0.75 0.00 0.00 64.21 62.78 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 0.68 0.00 0.26 -3.46 6.94 -1.26 -2.53 115.26 115.89 3mug n ASN 60 Ca 0.09 0.49 0.15 0.00 -0.02 0.00 0.00 54.58 55.29 3mug n ASN 60 Cb 0.38 -0.49 0.55 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 -5.17 -3.83 3.08 -1.90 -3.42 114.38 103.13 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 0.13 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.04 3mug h ARG 61 CO 0.00 0.03 -0.23 -0.06 -1.07 0.00 0.00 179.97 178.64 3mug s PHE 62 N -3.56 3.25 0.02 3.04 0.08 -1.05 -0.62 117.98 119.15 3mug s PHE 62 Ca 0.02 0.43 0.02 0.00 0.12 0.00 0.00 56.93 57.52 3mug s PHE 62 Cb 0.08 -2.57 -0.01 0.00 -0.57 0.00 0.00 43.02 39.95 3mug s PHE 62 CO 0.58 -0.21 -0.06 -1.54 -0.10 0.00 0.00 175.22 173.89 3mug s SER 63 N 1.60 0.64 0.12 1.36 1.04 -0.18 -4.97 113.70 113.30 3mug s SER 63 Ca 0.15 -0.32 0.10 0.00 0.48 0.00 0.00 55.95 56.36 3mug s SER 63 Cb -0.16 -0.00 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 3mug s SER 63 CO 0.10 -0.09 -0.22 -0.83 0.98 0.00 0.00 173.24 173.19 3mug s GLY 64 N -0.85 1.65 0.11 7.32 0.00 -1.26 -0.20 107.32 114.09 3mug s GLY 64 Ca -0.05 -1.40 -0.11 0.00 0.00 0.00 0.00 44.72 43.17 3mug s GLY 64 CO 0.00 -1.38 0.26 -0.45 0.00 0.00 0.00 173.10 171.54 3mug s SER 65 N -2.11 0.01 -0.06 1.64 0.15 -0.18 -4.14 113.70 109.02 3mug s SER 65 Ca 0.16 -0.58 -0.05 0.00 0.70 0.00 0.00 55.95 56.18 3mug s SER 65 Cb -0.10 0.39 0.02 0.00 -1.71 0.00 0.00 66.02 64.62 3mug s SER 65 CO 0.08 -0.79 0.15 -0.75 1.20 0.00 0.00 173.24 173.14 3mug s LYS 66 N -3.86 0.16 -0.20 5.44 2.20 -1.26 0.09 119.74 122.32 3mug s LYS 66 Ca 0.06 0.24 -0.04 0.00 -0.36 0.00 0.00 55.97 55.86 3mug s LYS 66 Cb 0.04 0.04 0.08 0.00 -1.51 0.00 0.00 37.83 36.47 3mug s LYS 66 CO -0.10 -0.05 0.14 -1.54 -0.36 0.00 0.00 175.35 173.45 3mug s SER 67 N 0.28 2.15 1.76 1.43 1.04 0.44 -5.00 113.70 115.80 3mug s SER 67 Ca -0.02 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.85 3mug s SER 67 Cb -0.03 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.06 3mug s SER 67 CO -0.01 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.47 3mug n GLY 68 N 5.29 3.87 1.01 7.32 0.00 -1.26 -1.69 105.19 119.74 3mug n GLY 68 Ca -0.06 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 9.03 2.94 -4.23 1.61 3.02 -1.26 -3.92 115.26 122.45 3mug n ASN 69 Ca 0.00 -2.07 -0.32 0.00 -0.03 0.00 0.00 54.58 52.16 3mug n ASN 69 Cb 0.00 -0.38 -0.17 0.00 -0.61 0.00 0.00 39.78 38.62 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 -1.40 2.05 0.11 3.41 2.01 -0.68 -0.42 115.64 120.71 3mug s THR 70 Ca 0.35 -1.03 0.07 0.00 0.31 0.00 0.00 61.69 61.39 3mug s THR 70 Cb 0.19 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 3mug s THR 70 CO 0.22 0.56 -0.08 0.00 -0.69 0.00 0.00 174.62 174.63 3mug s ALA 71 N 0.19 3.02 -0.01 7.40 0.00 -0.27 -0.42 121.76 131.66 3mug s ALA 71 Ca -0.14 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.60 3mug s ALA 71 Cb -0.17 -0.94 -0.00 0.00 0.00 0.00 0.00 23.12 22.01 3mug s ALA 71 CO 0.07 0.64 -0.06 -1.12 0.00 0.00 0.00 175.76 175.29 3mug s SER 72 N -2.28 0.79 -0.20 0.00 0.01 0.11 -0.33 113.70 111.80 3mug s SER 72 Ca 0.22 -0.12 -0.01 0.00 1.31 0.00 0.00 55.95 57.35 3mug s SER 72 Cb -0.11 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.01 3mug s SER 72 CO 0.15 0.07 -0.12 -0.22 0.41 0.00 0.00 173.24 173.52 3mug s LEU 73 N -0.07 2.52 -0.13 2.44 2.96 -0.12 -1.01 118.68 125.27 3mug s LEU 73 Ca 0.01 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 53.38 3mug s LEU 73 Cb -0.04 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 3mug s LEU 73 CO -0.00 0.00 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.12 3mug s THR 74 N 1.32 4.12 -0.25 3.68 2.01 0.72 -0.65 115.64 126.59 3mug s THR 74 Ca 0.04 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.76 3mug s THR 74 Cb -0.14 -2.79 0.04 0.00 0.01 0.00 0.00 72.50 69.62 3mug s THR 74 CO -0.07 0.53 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.66 3mug s ILE 75 N -0.07 2.51 0.20 1.82 1.01 -0.24 -1.01 121.20 125.42 3mug s ILE 75 Ca 0.03 -1.25 -0.03 0.00 0.00 0.00 0.00 60.65 59.40 3mug s ILE 75 Cb -0.13 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 3mug s ILE 75 CO 0.02 0.15 0.42 -0.94 0.00 0.00 0.00 174.94 174.58 3mug s SER 76 N 1.24 6.43 -1.26 3.58 1.04 0.21 -1.26 113.70 123.68 3mug s SER 76 Ca -0.03 0.52 -0.06 0.00 0.48 0.00 0.00 55.95 56.86 3mug s SER 76 Cb -0.17 -2.06 -0.01 0.00 0.10 0.00 0.00 66.02 63.88 3mug s SER 76 CO -0.06 -0.04 0.69 0.61 0.98 0.00 0.00 173.24 175.42 3mug n GLY 77 N -0.46 -0.54 3.62 7.32 0.00 -1.12 -4.80 105.19 109.21 3mug n GLY 77 Ca -0.03 0.26 -0.57 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.19 1.36 -4.37 0.99 7.94 -0.44 -4.46 117.00 113.83 3mug n LEU 78 Ca -0.23 1.13 -0.29 0.00 -1.11 0.00 0.00 56.01 55.51 3mug n LEU 78 Cb 0.65 -1.07 -0.14 0.00 0.53 0.00 0.00 43.42 43.39 3mug n LEU 78 CO 0.69 -1.08 -0.57 -2.28 -1.11 0.00 0.00 177.39 173.03 3mug s HIS 79 N 1.41 2.29 0.62 1.96 5.65 -1.26 -1.15 115.29 124.81 3mug s HIS 79 Ca 0.92 -0.39 0.34 0.00 0.25 0.00 0.00 55.06 56.17 3mug s HIS 79 Cb -1.13 -1.29 1.94 0.00 -1.18 0.00 0.00 32.58 30.92 3mug s HIS 79 CO 0.58 0.25 2.23 -0.84 -0.65 0.00 0.00 174.74 176.32 3mug h ILE 80 N 4.02 0.34 0.00 0.89 -0.00 -1.97 -0.18 117.51 120.60 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 1.16 0.94 0.00 0.00 -0.00 0.00 0.00 36.82 38.92 3mug h ILE 80 CO 0.41 0.00 0.00 -1.84 -0.00 0.00 0.00 178.15 176.72 3mug n GLU 81 N -3.57 0.69 0.04 0.16 0.28 -1.26 -2.98 120.64 114.00 3mug n GLU 81 Ca -0.02 0.01 0.12 0.00 -0.16 0.00 0.00 57.16 57.11 3mug n GLU 81 Cb 0.15 -1.50 0.20 0.00 1.43 0.00 0.00 31.44 31.72 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 -1.13 0.61 -4.71 -1.84 10.43 -0.08 -4.93 116.55 114.90 3mug n ASP 82 Ca 0.18 -0.02 -0.43 0.00 2.57 0.00 0.00 54.79 57.09 3mug n ASP 82 Cb 0.16 0.23 -0.03 0.00 1.84 0.00 0.00 41.12 43.32 3mug n ASP 82 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3mug n GLU 83 N -1.88 2.50 -3.17 -1.24 1.02 -1.16 -4.87 120.64 111.84 3mug n GLU 83 Ca 0.04 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 58.08 3mug n GLU 83 Cb 0.40 -2.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.14 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 3.18 -0.79 3.72 0.62 0.00 -1.08 -4.74 105.19 106.10 3mug n GLY 84 Ca 0.14 -1.36 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 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 -4.00 5.86 -0.13 1.61 -0.00 -0.47 -0.32 116.67 119.22 3mug s ASP 85 Ca 0.00 0.21 0.01 0.00 -0.00 0.00 0.00 52.55 52.77 3mug s ASP 85 Cb 0.00 -1.94 -0.01 0.00 -0.00 0.00 0.00 42.92 40.97 3mug s ASP 85 CO 0.00 0.26 -0.15 -0.31 -0.00 0.00 0.00 175.17 174.97 3mug s TYR 86 N -0.17 2.76 -0.10 4.23 2.02 0.19 0.03 117.35 126.32 3mug s TYR 86 Ca 0.08 -0.75 0.03 0.00 -0.37 0.00 0.00 57.07 56.07 3mug s TYR 86 Cb -0.12 -1.82 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 3mug s TYR 86 CO 0.01 -0.27 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.45 3mug s PHE 87 N 0.39 2.34 0.23 2.71 0.40 0.41 -1.34 117.98 123.13 3mug s PHE 87 Ca -0.12 -0.99 -0.10 0.00 -0.60 0.00 0.00 56.93 55.12 3mug s PHE 87 Cb -0.16 -1.59 -0.07 0.00 0.51 0.00 0.00 43.02 41.70 3mug s PHE 87 CO 0.06 -0.42 0.55 0.00 0.70 0.00 0.00 175.22 176.11 3mug s SER 89 N -2.39 0.61 0.00 0.00 0.15 0.36 -0.12 113.70 112.31 3mug s SER 89 Ca 0.47 -0.50 -0.05 0.00 0.70 0.00 0.00 55.95 56.58 3mug s SER 89 Cb -0.11 0.05 -0.00 0.00 -1.71 0.00 0.00 66.02 64.25 3mug s SER 89 CO 0.21 -0.22 0.08 -0.55 1.20 0.00 0.00 173.24 173.96 3mug s SER 90 N -1.44 0.08 0.39 5.45 0.15 0.14 -1.31 113.70 117.16 3mug s SER 90 Ca -0.11 -0.26 -0.24 0.00 0.70 0.00 0.00 55.95 56.04 3mug s SER 90 Cb -0.09 0.17 -0.09 0.00 -1.71 0.00 0.00 66.02 64.30 3mug s SER 90 CO -0.00 -0.31 1.06 -0.22 1.20 0.00 0.00 173.24 174.96 3mug s LEU 91 N -1.26 4.17 0.23 3.45 2.96 -1.21 -0.36 118.68 126.66 3mug s LEU 91 Ca -0.14 2.06 0.06 0.00 -0.22 0.00 0.00 54.13 55.90 3mug s LEU 91 Cb -0.08 -4.15 -0.04 0.00 0.50 0.00 0.00 46.19 42.43 3mug s LEU 91 CO 0.01 -0.48 0.19 -0.89 -1.32 0.00 0.00 176.35 173.85 3mug s THR 92 N -1.62 4.48 -1.18 3.68 2.01 -0.10 -4.39 115.64 118.52 3mug s THR 92 Ca 0.57 -1.31 0.11 0.00 0.31 0.00 0.00 61.69 61.36 3mug s THR 92 Cb -0.23 -3.39 0.13 0.00 0.01 0.00 0.00 72.50 69.02 3mug s THR 92 CO 0.29 -0.29 1.29 -0.90 -0.69 0.00 0.00 174.62 174.32 3mug n ASP 93 N -0.98 0.00 -1.13 3.53 5.75 -0.21 -1.55 116.55 121.97 3mug n ASP 93 Ca -0.08 0.34 0.12 0.00 -0.01 0.00 0.00 54.79 55.16 3mug n ASP 93 Cb 0.57 -0.41 0.21 0.00 -1.03 0.00 0.00 41.12 40.46 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 -1.41 2.48 -1.32 0.11 1.74 -1.26 -4.95 116.66 112.04 3mug n ARG 94 Ca 0.04 -2.26 -0.08 0.00 -0.77 0.00 0.00 57.85 54.77 3mug n ARG 94 Cb 0.11 -1.50 -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 1.46 -3.94 -4.94 0.55 7.64 -0.59 -5.04 113.62 108.76 3mug n SER 95 Ca 0.19 0.19 -0.25 0.00 1.01 0.00 0.00 58.87 60.01 3mug n SER 95 Cb 0.60 -2.27 0.03 0.00 -1.01 0.00 0.00 64.21 61.56 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 -2.32 3.13 -0.11 1.43 3.76 -1.26 -4.84 115.29 115.08 3mug s HIS 95 Ca 0.00 0.40 0.03 0.00 -0.15 0.00 0.00 55.06 55.35 3mug s HIS 95 Cb 0.00 -2.71 -0.00 0.00 1.11 0.00 0.00 32.58 30.98 3mug s HIS 95 CO 0.00 -0.81 -0.22 1.03 -0.85 0.00 0.00 174.74 173.89 3mug s ARG 96 N -4.88 3.10 0.01 1.40 0.52 -1.26 -0.92 118.95 116.90 3mug s ARG 96 Ca 0.54 -0.85 0.07 0.00 -0.52 0.00 0.00 55.73 54.97 3mug s ARG 96 Cb -0.10 -2.35 -0.02 0.00 0.52 0.00 0.00 34.95 33.00 3mug s ARG 96 CO 0.42 0.18 -0.22 -1.50 0.02 0.00 0.00 175.30 174.20 3mug s ILE 97 N 0.35 1.77 0.18 1.52 1.10 0.51 -4.98 121.20 121.65 3mug s ILE 97 Ca -0.18 -1.05 0.08 0.00 -0.51 0.00 0.00 60.65 58.99 3mug s ILE 97 Cb -0.18 -1.49 -0.04 0.00 0.15 0.00 0.00 42.46 40.90 3mug s ILE 97 CO 0.08 0.41 -0.05 -0.36 -2.11 0.00 0.00 174.94 172.91 3mug s PHE 98 N -0.62 2.72 0.77 3.50 0.08 -1.26 0.27 117.98 123.44 3mug s PHE 98 Ca 0.09 -0.19 -0.09 0.00 0.12 0.00 0.00 56.93 56.86 3mug s PHE 98 Cb -0.09 -1.32 0.09 0.00 -0.57 0.00 0.00 43.02 41.13 3mug s PHE 98 CO 0.00 0.52 1.10 0.20 -0.10 0.00 0.00 175.22 176.94 3mug s GLY 99 N -2.93 1.67 0.53 4.36 0.00 0.83 -1.99 107.32 109.80 3mug s GLY 99 Ca 0.26 -0.91 0.32 0.00 0.00 0.00 0.00 44.72 44.39 3mug s GLY 99 CO 0.17 -0.43 1.94 -1.33 0.00 0.00 0.00 173.10 173.45 3mug h GLY 100 N -0.85 0.00 0.00 0.20 0.00 -1.83 -3.44 103.07 97.14 3mug h GLY 100 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3mug h GLY 100 CO 0.59 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.74 3mug n GLY 101 N 0.13 2.22 2.92 4.60 0.00 -1.26 -5.04 105.19 108.75 3mug n GLY 101 Ca 0.01 -1.75 -0.24 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.07 0.85 -0.10 2.61 2.01 -0.45 -4.39 115.64 114.09 3mug s THR 102 Ca 0.00 -0.25 -0.28 0.00 0.31 0.00 0.00 61.69 61.48 3mug s THR 102 Cb 0.00 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 3mug s THR 102 CO 0.00 0.31 0.91 -0.75 -0.69 0.00 0.00 174.62 174.41 3mug s LYS 103 N 1.24 4.41 -0.27 4.92 2.20 -0.17 -0.63 119.74 131.43 3mug s LYS 103 Ca -0.05 1.22 -0.09 0.00 -0.36 0.00 0.00 55.97 56.70 3mug s LYS 103 Cb -0.14 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.62 3mug s LYS 103 CO -0.02 -0.23 0.12 0.08 -0.36 0.00 0.00 175.35 174.93 3mug s VAL 104 N 1.76 4.65 -0.03 4.02 1.01 0.56 -1.38 120.40 130.99 3mug s VAL 104 Ca 0.45 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.39 3mug s VAL 104 Cb -0.18 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 3mug s VAL 104 CO 0.18 0.27 -0.22 -0.89 0.00 0.00 0.00 175.10 174.44 3mug s THR 105 N 1.66 2.36 -0.50 3.92 2.01 -0.92 -2.62 115.64 121.55 3mug s THR 105 Ca 0.06 -0.99 -0.14 0.00 0.31 0.00 0.00 61.69 60.93 3mug s THR 105 Cb -0.16 -1.86 0.11 0.00 0.01 0.00 0.00 72.50 70.61 3mug s THR 105 CO 0.06 0.58 0.43 -0.69 -0.69 0.00 0.00 174.62 174.32 3mug s VAL 106 N -0.61 4.98 -0.25 3.82 1.01 -1.26 -2.38 120.40 125.72 3mug s VAL 106 Ca 0.09 -1.44 -0.37 0.00 0.00 0.00 0.00 61.98 60.27 3mug s VAL 106 Cb -0.10 -4.14 -0.13 0.00 0.00 0.00 0.00 36.38 32.00 3mug s VAL 106 CO -0.00 -0.76 1.95 0.18 0.00 0.00 0.00 175.10 176.47 3mug n LEU 106 N 5.16 2.63 -0.64 3.92 4.77 -0.10 -4.88 117.00 127.86 3mug n LEU 106 Ca -0.12 0.80 0.08 0.00 -0.03 0.00 0.00 56.01 56.74 3mug n LEU 106 Cb 0.41 -1.25 0.07 0.00 -2.33 0.00 0.00 43.42 40.32 3mug n LEU 106 CO 0.50 -0.42 0.51 0.61 -1.33 0.00 0.00 177.39 177.25 3mug n GLY 107 N 5.11 0.23 3.72 -0.72 0.00 -1.26 -4.80 105.19 107.48 3mug n GLY 107 Ca 0.31 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.29 1.63 0.57 1.61 -2.07 -1.26 -5.17 119.66 113.68 3mug s GLN 108 Ca 0.19 -0.85 -0.15 0.00 -1.82 0.00 0.00 55.36 52.73 3mug s GLN 108 Cb 0.13 0.60 -0.05 0.00 -1.09 0.00 0.00 33.01 32.60 3mug s GLN 108 CO 0.20 -0.74 1.02 -1.25 -1.32 0.00 0.00 175.29 173.20 3mug s PRO 109 N -3.87 3.65 0.38 9.60 0.04 -1.26 -5.00 135.00 138.53 3mug s PRO 109 Ca 0.08 0.99 -0.27 0.00 0.04 0.00 0.00 61.00 61.84 3mug s PRO 109 Cb -0.04 -2.09 -0.11 0.00 0.04 0.00 0.00 34.50 32.30 3mug s PRO 109 CO 0.01 -0.53 1.27 1.63 0.04 0.00 0.00 177.00 179.43 3mug n LYS 110 N -2.02 2.02 -4.46 4.56 5.02 -1.26 -4.92 118.16 117.11 3mug n LYS 110 Ca 0.07 0.71 -0.28 0.00 -2.02 0.00 0.00 58.31 56.80 3mug n LYS 110 Cb 0.54 -2.34 -0.17 0.00 -0.02 0.00 0.00 35.03 33.04 3mug n LYS 110 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mug s ALA 111 N -1.15 1.60 0.39 7.82 0.00 0.66 -4.94 121.76 126.16 3mug s ALA 111 Ca 0.58 -0.67 -0.24 0.00 0.00 0.00 0.00 51.96 51.63 3mug s ALA 111 Cb -0.54 -0.79 -0.09 0.00 0.00 0.00 0.00 23.12 21.69 3mug s ALA 111 CO 0.60 -0.06 1.02 0.00 0.00 0.00 0.00 175.76 177.33 3mug s ALA 112 N 0.97 3.09 0.50 0.00 0.00 -1.26 -1.28 121.76 123.78 3mug s ALA 112 Ca -0.07 0.64 -0.19 0.00 0.00 0.00 0.00 51.96 52.34 3mug s ALA 112 Cb -0.15 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 3mug s ALA 112 CO -0.01 -0.13 1.01 -1.25 0.00 0.00 0.00 175.76 175.39 3mug s PRO 113 N -2.52 3.82 -0.22 0.00 0.04 -1.26 -4.39 135.00 130.46 3mug s PRO 113 Ca 0.57 1.19 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 3mug s PRO 113 Cb -0.20 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 3mug s PRO 113 CO 0.25 -0.39 0.20 -1.12 0.04 0.00 0.00 177.00 175.98 3mug s SER 114 N -2.44 6.21 -0.16 6.66 0.01 -0.26 -4.91 113.70 118.81 3mug s SER 114 Ca 0.63 0.23 -0.01 0.00 1.31 0.00 0.00 55.95 58.11 3mug s SER 114 Cb -0.13 -2.13 -0.01 0.00 0.21 0.00 0.00 66.02 63.96 3mug s SER 114 CO 0.25 0.07 -0.12 -0.69 0.41 0.00 0.00 173.24 173.16 3mug s VAL 115 N 0.91 2.97 -0.16 3.43 1.01 -1.26 -1.42 120.40 125.89 3mug s VAL 115 Ca 0.10 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3mug s VAL 115 Cb -0.13 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 33.99 3mug s VAL 115 CO 0.04 0.50 -0.19 -0.89 0.00 0.00 0.00 175.10 174.55 3mug s THR 116 N 0.80 1.94 -0.21 3.92 2.01 0.14 -4.96 115.64 119.28 3mug s THR 116 Ca -0.04 -0.88 -0.03 0.00 0.31 0.00 0.00 61.69 61.05 3mug s THR 116 Cb -0.15 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.60 3mug s THR 116 CO 0.01 0.52 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.17 3mug s LEU 117 N 1.17 2.81 -0.17 4.42 2.96 -1.26 0.17 118.68 128.78 3mug s LEU 117 Ca 0.01 -0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 53.45 3mug s LEU 117 Cb -0.14 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 3mug s LEU 117 CO -0.09 -0.00 0.03 -0.36 -1.32 0.00 0.00 176.35 174.61 3mug s PHE 118 N 1.36 3.18 0.88 5.38 0.40 0.74 -4.98 117.98 124.94 3mug s PHE 118 Ca 0.04 -0.03 -0.13 0.00 -0.60 0.00 0.00 56.93 56.21 3mug s PHE 118 Cb -0.14 -2.04 0.12 0.00 0.51 0.00 0.00 43.02 41.47 3mug s PHE 118 CO -0.04 0.11 1.18 -1.25 0.70 0.00 0.00 175.22 175.93 3mug s PRO 119 N 0.34 1.41 0.39 0.24 0.04 -1.26 -1.49 135.00 134.67 3mug s PRO 119 Ca 0.01 0.09 -0.28 0.00 0.04 0.00 0.00 61.00 60.86 3mug s PRO 119 Cb -0.13 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 3mug s PRO 119 CO 0.01 -1.97 1.44 -2.14 0.04 0.00 0.00 177.00 174.38 3mug s PRO 120 N -5.52 4.06 0.61 0.56 0.02 -1.19 -4.80 135.00 128.74 3mug s PRO 120 Ca 0.65 2.47 -0.15 0.00 0.02 0.00 0.00 61.00 63.99 3mug s PRO 120 Cb -0.11 -2.91 -0.03 0.00 0.02 0.00 0.00 34.50 31.47 3mug s PRO 120 CO 0.51 -0.53 1.05 -1.54 -0.33 0.00 0.00 177.00 176.16 3mug s SER 121 N -0.30 5.74 0.46 2.53 1.04 -1.26 -4.92 113.70 117.00 3mug s SER 121 Ca 0.54 1.75 0.19 0.00 0.48 0.00 0.00 55.95 58.92 3mug s SER 121 Cb -0.44 -2.52 1.13 0.00 0.10 0.00 0.00 66.02 64.28 3mug s SER 121 CO 0.60 -1.19 2.00 0.77 0.98 0.00 0.00 173.24 176.39 3mug h SER 122 N 0.20 0.00 -0.39 7.02 4.64 -1.99 -1.95 113.55 121.07 3mug h SER 122 Ca -0.46 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 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 0.19 0.14 -0.08 -0.87 0.00 0.00 176.83 176.78 3mug h GLU 123 N 0.00 0.60 -0.31 4.77 4.57 -1.98 -1.91 114.58 120.31 3mug h GLU 123 Ca -0.00 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.02 3mug h GLU 123 Cb 0.38 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3mug h GLU 123 CO 0.02 0.59 0.02 1.49 -1.18 0.00 0.00 179.01 179.96 3mug h GLU 124 N 0.49 0.52 -0.85 1.92 4.81 -1.73 -2.71 114.58 117.03 3mug h GLU 124 Ca 0.13 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3mug h GLU 124 Cb 0.23 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 3mug h GLU 124 CO -0.01 0.64 0.56 -0.07 -0.73 0.00 0.00 179.01 179.40 3mug h LEU 125 N 0.33 0.89 -0.68 1.64 3.38 -1.17 0.23 115.31 119.93 3mug h LEU 125 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3mug h LEU 125 Cb 0.39 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3mug h LEU 125 CO 0.01 0.60 0.00 1.56 0.09 0.00 0.00 178.44 180.70 3mug h GLN 126 N 1.02 0.00 -0.56 1.13 1.08 -1.22 -2.28 115.11 114.29 3mug h GLN 126 Ca 0.35 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 3mug h GLN 126 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3mug h GLN 126 CO -0.11 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.77 3mug n ALA 127 N -1.87 2.53 -3.01 3.87 0.00 0.03 -4.93 120.51 117.12 3mug n ALA 127 Ca 0.03 -1.00 -0.21 0.00 0.00 0.00 0.00 53.44 52.27 3mug n ALA 127 Cb 0.31 -0.97 0.04 0.00 0.00 0.00 0.00 19.45 18.82 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 1.02 -5.77 -4.16 0.00 2.85 -0.86 -5.02 115.26 103.32 3mug n ASN 128 Ca 0.18 -0.29 -0.11 0.00 -0.11 0.00 0.00 54.58 54.26 3mug n ASN 128 Cb 0.51 -4.57 -0.10 0.00 1.24 0.00 0.00 39.78 36.86 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 -5.66 0.81 -0.18 1.20 -0.14 -0.94 -4.63 119.74 110.20 3mug s LYS 129 Ca 0.30 -1.29 -0.09 0.00 -1.36 0.00 0.00 55.97 53.53 3mug s LYS 129 Cb -0.13 -0.19 0.07 0.00 -1.68 0.00 0.00 37.83 35.89 3mug s LYS 129 CO 0.38 -0.02 0.41 0.00 -0.76 0.00 0.00 175.35 175.36 3mug s ALA 130 N -3.50 -1.07 -0.04 5.17 0.00 -1.05 -2.74 121.76 118.53 3mug s ALA 130 Ca 0.10 1.51 -0.01 0.00 0.00 0.00 0.00 51.96 53.57 3mug s ALA 130 Cb 0.04 -1.04 0.03 0.00 0.00 0.00 0.00 23.12 22.16 3mug s ALA 130 CO -0.05 -0.40 0.02 0.99 0.00 0.00 0.00 175.76 176.32 3mug s THR 131 N 1.74 0.14 -0.17 0.00 2.01 -1.26 -1.07 115.64 117.03 3mug s THR 131 Ca -0.07 0.19 -0.13 0.00 0.31 0.00 0.00 61.69 61.98 3mug s THR 131 Cb -0.09 -0.29 -0.05 0.00 0.01 0.00 0.00 72.50 72.08 3mug s THR 131 CO -0.13 0.18 0.27 -0.76 -0.69 0.00 0.00 174.62 173.49 3mug s LEU 132 N 1.53 4.24 -0.24 4.42 1.43 -0.54 -3.15 118.68 126.37 3mug s LEU 132 Ca -0.03 0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 53.53 3mug s LEU 132 Cb -0.13 -2.33 0.03 0.00 0.03 0.00 0.00 46.19 43.79 3mug s LEU 132 CO -0.03 0.11 -0.08 -0.69 0.23 0.00 0.00 176.35 175.89 3mug s VAL 133 N 0.46 2.74 -0.30 -1.59 1.01 -0.55 -1.67 120.40 120.50 3mug s VAL 133 Ca 0.15 -1.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 3mug s VAL 133 Cb -0.13 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.88 3mug s VAL 133 CO 0.03 0.21 0.08 0.00 0.00 0.00 0.00 175.10 175.42 3mug s LEU 135 N 1.48 3.51 -0.18 0.00 1.43 0.13 -1.42 118.68 123.62 3mug s LEU 135 Ca 0.02 -0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 52.98 3mug s LEU 135 Cb -0.18 -1.91 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 3mug s LEU 135 CO 0.02 0.06 -0.09 -0.63 0.23 0.00 0.00 176.35 175.94 3mug s ILE 136 N 1.06 3.12 0.05 -0.59 1.01 -0.10 -0.68 121.20 125.07 3mug s ILE 136 Ca 0.04 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.09 3mug s ILE 136 Cb -0.14 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 3mug s ILE 136 CO 0.03 0.47 -0.05 -0.44 0.00 0.00 0.00 174.94 174.95 3mug s SER 137 N 1.03 0.68 -1.38 3.58 0.01 -0.50 -0.42 113.70 116.70 3mug s SER 137 Ca -0.00 -0.74 -0.08 0.00 1.31 0.00 0.00 55.95 56.43 3mug s SER 137 Cb -0.15 0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.22 3mug s SER 137 CO -0.01 -0.38 1.04 -0.67 0.41 0.00 0.00 173.24 173.63 3mug n ASP 138 N 0.84 -4.68 -4.76 2.44 4.64 0.42 -1.10 116.55 114.36 3mug n ASP 138 Ca -0.19 -0.66 -0.31 0.00 -1.38 0.00 0.00 54.79 52.26 3mug n ASP 138 Cb 0.58 -4.59 -0.07 0.00 -1.04 0.00 0.00 41.12 36.00 3mug n ASP 138 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 3mug s PHE 139 N -3.36 3.18 -0.20 -0.67 -0.12 -0.53 -4.34 117.98 111.94 3mug s PHE 139 Ca 0.46 0.09 -0.10 0.00 -0.05 0.00 0.00 56.93 57.32 3mug s PHE 139 Cb -0.21 -1.63 0.07 0.00 -0.63 0.00 0.00 43.02 40.61 3mug s PHE 139 CO 0.77 0.52 0.47 -0.47 -0.05 0.00 0.00 175.22 176.46 3mug s TYR 140 N -1.33 -0.75 0.64 3.49 5.04 -0.41 -0.02 117.35 124.01 3mug s TYR 140 Ca 0.27 1.52 -0.18 0.00 -2.44 0.00 0.00 57.07 56.25 3mug s TYR 140 Cb -0.12 0.36 -0.01 0.00 0.35 0.00 0.00 41.96 42.54 3mug s TYR 140 CO 0.20 -0.41 1.24 -2.14 -1.34 0.00 0.00 175.55 173.09 3mug s PRO 141 N 1.68 2.67 -1.09 4.97 0.02 -1.26 -0.24 135.00 141.75 3mug s PRO 141 Ca -0.08 1.89 -0.12 0.00 0.02 0.00 0.00 61.00 62.70 3mug s PRO 141 Cb -0.08 -1.88 -0.07 0.00 0.02 0.00 0.00 34.50 32.48 3mug s PRO 141 CO -0.14 -1.46 2.23 0.41 -0.33 0.00 0.00 177.00 177.70 3mug n GLY 142 N 0.60 3.38 3.52 0.52 0.00 -1.26 -4.74 105.19 107.21 3mug n GLY 142 Ca 0.14 -1.21 -0.06 0.00 0.00 0.00 0.00 46.02 44.90 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 3.61 -1.69 0.10 4.61 0.00 -1.26 -4.71 121.76 122.42 3mug s ALA 143 Ca 0.51 2.10 0.01 0.00 0.00 0.00 0.00 51.96 54.58 3mug s ALA 143 Cb 0.13 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 3mug s ALA 143 CO -0.00 -0.62 -0.04 0.14 0.00 0.00 0.00 175.76 175.23 3mug s VAL 144 N 2.22 0.53 -0.21 0.00 -7.23 -1.26 -4.46 120.40 110.00 3mug s VAL 144 Ca -0.07 -1.91 -0.04 0.00 -1.81 0.00 0.00 61.98 58.16 3mug s VAL 144 Cb -0.09 -1.71 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 3mug s VAL 144 CO -0.17 -0.84 -0.05 0.28 -0.31 0.00 0.00 175.10 174.01 3mug s THR 145 N -3.73 3.43 -0.21 5.32 -1.32 -0.21 -4.87 115.64 114.05 3mug s THR 145 Ca 0.13 -0.48 -0.04 0.00 -1.21 0.00 0.00 61.69 60.09 3mug s THR 145 Cb 0.06 -2.55 -0.01 0.00 -1.51 0.00 0.00 72.50 68.50 3mug s THR 145 CO -0.05 0.44 -0.04 -0.69 -2.21 0.00 0.00 174.62 172.06 3mug s VAL 146 N 1.27 3.41 -0.03 5.08 1.01 -1.26 -0.65 120.40 129.22 3mug s VAL 146 Ca 0.03 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 61.58 3mug s VAL 146 Cb -0.14 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 3mug s VAL 146 CO -0.02 0.43 -0.20 0.00 0.00 0.00 0.00 175.10 175.31 3mug s ALA 147 N 1.36 1.72 0.02 5.51 0.00 0.25 -4.98 121.76 125.64 3mug s ALA 147 Ca 0.04 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.20 3mug s ALA 147 Cb -0.14 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 3mug s ALA 147 CO -0.02 0.36 -0.04 -1.58 0.00 0.00 0.00 175.76 174.48 3mug s TRP 148 N -0.23 2.94 -0.02 0.00 0.52 -1.26 0.19 118.94 121.08 3mug s TRP 148 Ca 0.01 -0.02 0.02 0.00 0.02 0.00 0.00 56.10 56.13 3mug s TRP 148 Cb -0.10 -1.60 0.00 0.00 -1.15 0.00 0.00 33.47 30.62 3mug s TRP 148 CO 0.01 0.41 -0.05 0.15 0.02 0.00 0.00 176.95 177.49 3mug s LYS 149 N -1.64 0.58 -0.36 4.98 1.02 -0.59 -1.24 119.74 122.49 3mug s LYS 149 Ca 0.19 -0.18 -0.10 0.00 0.02 0.00 0.00 55.97 55.90 3mug s LYS 149 Cb -0.11 -0.58 0.02 0.00 -0.52 0.00 0.00 37.83 36.64 3mug s LYS 149 CO 0.10 0.06 0.19 0.00 -0.92 0.00 0.00 175.35 174.78 3mug s ALA 150 N 0.19 3.25 0.00 5.17 0.00 0.27 -0.56 121.76 130.08 3mug s ALA 150 Ca -0.02 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.28 3mug s ALA 150 Cb -0.06 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.54 3mug s ALA 150 CO -0.00 -1.28 0.00 -0.25 0.00 0.00 0.00 175.76 174.23 3mug n ASP 151 N 4.98 0.00 -0.00 0.00 8.00 0.26 -2.18 116.55 127.60 3mug n ASP 151 Ca -0.12 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.43 3mug n ASP 151 Cb 0.46 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.49 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 11.19 2.48 -4.75 -2.24 3.41 -1.26 -4.72 113.62 117.72 3mug n SER 152 Ca 0.00 -0.07 -0.40 0.00 -0.26 0.00 0.00 58.87 58.14 3mug n SER 152 Cb 0.00 1.41 -0.06 0.00 -0.26 0.00 0.00 64.21 65.31 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 -3.04 7.58 0.52 4.04 1.04 -0.93 -4.98 113.70 117.94 3mug s SER 153 Ca -0.03 1.97 -0.18 0.00 0.48 0.00 0.00 55.95 58.19 3mug s SER 153 Cb 0.07 -2.61 -0.07 0.00 0.10 0.00 0.00 66.02 63.50 3mug s SER 153 CO 0.42 0.09 1.02 -2.16 0.98 0.00 0.00 173.24 173.58 3mug s PRO 154 N -1.03 3.75 -0.16 4.02 0.04 -1.26 -0.57 135.00 139.79 3mug s PRO 154 Ca 0.42 1.17 -0.00 0.00 0.04 0.00 0.00 61.00 62.63 3mug s PRO 154 Cb -0.26 -2.10 0.04 0.00 0.04 0.00 0.00 34.50 32.22 3mug s PRO 154 CO 0.33 -0.45 -0.06 0.14 0.04 0.00 0.00 177.00 177.00 3mug s VAL 155 N -2.33 1.13 -0.08 -0.36 -7.23 -0.37 -4.78 120.40 106.38 3mug s VAL 155 Ca 0.63 -0.61 0.21 0.00 -1.81 0.00 0.00 61.98 60.40 3mug s VAL 155 Cb -0.13 -1.28 -0.31 0.00 0.56 0.00 0.00 36.38 35.21 3mug s VAL 155 CO 0.27 0.16 0.36 0.29 -0.31 0.00 0.00 175.10 175.88 3mug n LYS 156 N 4.87 0.67 -2.62 4.82 5.02 -1.26 -4.38 118.16 125.27 3mug n LYS 156 Ca -0.12 -0.15 -0.40 0.00 -2.02 0.00 0.00 58.31 55.63 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 -3.22 3.34 -0.29 7.82 0.00 -1.26 -3.72 121.76 124.43 3mug s ALA 157 Ca -0.09 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.61 3mug s ALA 157 Cb 0.12 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.98 3mug s ALA 157 CO 0.89 0.02 0.00 0.41 0.00 0.00 0.00 175.76 177.08 3mug n GLY 158 N 1.21 0.59 3.73 0.00 0.00 -1.26 -4.85 105.19 104.61 3mug n GLY 158 Ca -0.01 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.96 5.30 -0.12 1.61 1.01 -1.24 -1.36 120.40 123.63 3mug s VAL 159 Ca 0.00 0.57 -0.02 0.00 0.00 0.00 0.00 61.98 62.53 3mug s VAL 159 Cb 0.00 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.78 3mug s VAL 159 CO 0.00 0.40 0.02 -1.61 0.00 0.00 0.00 175.10 173.90 3mug s GLU 160 N 0.39 0.62 -0.07 2.72 0.41 -0.51 -4.99 118.70 117.27 3mug s GLU 160 Ca 0.17 -0.08 0.05 0.00 -0.41 0.00 0.00 54.97 54.70 3mug s GLU 160 Cb -0.13 -1.40 -0.01 0.00 -1.78 0.00 0.00 34.13 30.81 3mug s GLU 160 CO 0.04 -0.43 -0.23 0.99 -0.49 0.00 0.00 175.26 175.14 3mug s THR 161 N 1.94 2.22 0.60 3.63 2.01 -1.26 -0.22 115.64 124.56 3mug s THR 161 Ca 0.03 -1.00 -0.10 0.00 0.31 0.00 0.00 61.69 60.93 3mug s THR 161 Cb -0.14 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 3mug s THR 161 CO -0.06 0.57 1.00 0.42 -0.69 0.00 0.00 174.62 175.85 3mug s THR 162 N -0.14 4.66 0.13 -0.82 -4.23 0.09 -4.99 115.64 110.35 3mug s THR 162 Ca -0.04 0.75 -0.30 0.00 -1.18 0.00 0.00 61.69 60.92 3mug s THR 162 Cb -0.14 -3.84 -0.06 0.00 1.34 0.00 0.00 72.50 69.79 3mug s THR 162 CO 0.04 -1.07 1.04 -0.89 -0.54 0.00 0.00 174.62 173.19 3mug s THR 163 N -3.13 4.22 0.37 3.99 2.01 -1.26 -4.62 115.64 117.22 3mug s THR 163 Ca 0.54 1.84 -0.27 0.00 0.31 0.00 0.00 61.69 64.11 3mug s THR 163 Cb -0.11 -4.18 -0.11 0.00 0.01 0.00 0.00 72.50 68.11 3mug s THR 163 CO 0.52 0.28 1.32 -2.65 -0.69 0.00 0.00 174.62 173.41 3mug n PRO 164 N 2.73 2.19 -5.18 4.92 -0.02 -1.26 -4.87 135.00 133.51 3mug n PRO 164 Ca 0.03 0.77 -0.30 0.00 -2.02 0.00 0.00 63.50 61.98 3mug n PRO 164 Cb 0.48 -2.41 -0.16 0.00 -0.02 0.00 0.00 33.50 31.39 3mug n PRO 164 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3mug s SER 165 N -0.33 2.81 -0.18 2.55 0.01 -0.58 -4.94 113.70 113.04 3mug s SER 165 Ca 0.56 -0.44 -0.29 0.00 1.31 0.00 0.00 55.95 57.09 3mug s SER 165 Cb -0.54 -0.45 -0.02 0.00 0.21 0.00 0.00 66.02 65.23 3mug s SER 165 CO 0.62 0.27 1.34 -0.75 0.41 0.00 0.00 173.24 175.13 3mug s LYS 166 N -0.43 4.15 0.87 12.44 2.20 -1.26 -2.35 119.74 135.36 3mug s LYS 166 Ca 0.05 1.67 -0.15 0.00 -0.36 0.00 0.00 55.97 57.18 3mug s LYS 166 Cb -0.10 -3.83 0.20 0.00 -1.51 0.00 0.00 37.83 32.59 3mug s LYS 166 CO 0.00 -0.83 1.17 1.04 -0.36 0.00 0.00 175.35 176.37 3mug n GLN 167 N 6.86 -1.20 -0.29 4.03 6.02 -0.08 -4.97 117.38 127.75 3mug n GLN 167 Ca 0.15 -1.81 -0.06 0.00 -0.01 0.00 0.00 57.00 55.27 3mug n GLN 167 Cb 0.45 -1.22 0.06 0.00 1.02 0.00 0.00 30.24 30.55 3mug n GLN 167 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3mug h SER 168 N -1.58 1.11 0.00 1.08 0.87 -1.96 -3.08 113.55 109.99 3mug h SER 168 Ca -0.38 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 3mug h SER 168 Cb 1.05 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 3mug h SER 168 CO 0.27 0.99 0.00 -0.46 -0.53 0.00 0.00 176.83 177.10 3mug n ASN 170 N -4.27 0.00 0.00 6.23 0.23 -1.26 -4.88 115.26 111.31 3mug n ASN 170 Ca 0.07 -1.88 0.00 0.00 -0.53 0.00 0.00 54.58 52.24 3mug n ASN 170 Cb 0.20 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 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 -0.51 0.00 -4.65 0.53 3.02 -1.17 -5.03 115.26 107.46 3mug n ASN 171 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.31 3mug n ASN 171 Cb 0.00 -0.20 0.11 0.00 -0.61 0.00 0.00 39.78 39.08 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 -0.04 1.65 0.20 3.52 1.02 -1.26 -4.78 119.74 120.05 3mug s LYS 172 Ca 0.00 -0.96 0.10 0.00 0.02 0.00 0.00 55.97 55.13 3mug s LYS 172 Cb 0.00 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 3mug s LYS 172 CO 0.00 -1.49 -0.15 0.71 -0.92 0.00 0.00 175.35 173.50 3mug s TYR 173 N -3.20 2.49 0.03 3.18 2.02 0.96 -0.90 117.35 121.92 3mug s TYR 173 Ca 0.66 -0.28 0.04 0.00 -0.37 0.00 0.00 57.07 57.12 3mug s TYR 173 Cb -0.06 -1.20 -0.02 0.00 -0.40 0.00 0.00 41.96 40.28 3mug s TYR 173 CO 0.45 0.53 -0.13 0.00 -1.57 0.00 0.00 175.55 174.83 3mug s ALA 174 N -1.80 1.05 0.18 3.71 0.00 -0.99 -0.43 121.76 123.47 3mug s ALA 174 Ca 0.24 -0.72 -0.12 0.00 0.00 0.00 0.00 51.96 51.36 3mug s ALA 174 Cb -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.86 3mug s ALA 174 CO 0.14 0.20 0.38 0.00 0.00 0.00 0.00 175.76 176.48 3mug s ALA 175 N -0.71 -0.34 -0.01 0.00 0.00 0.44 -1.52 121.76 119.62 3mug s ALA 175 Ca 0.02 -0.66 -0.08 0.00 0.00 0.00 0.00 51.96 51.24 3mug s ALA 175 Cb -0.07 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.93 3mug s ALA 175 CO 0.01 -0.72 0.15 -1.54 0.00 0.00 0.00 175.76 173.66 3mug s SER 176 N -2.94 -0.01 -0.01 0.00 1.04 -1.26 -0.92 113.70 109.60 3mug s SER 176 Ca 0.15 -0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.46 3mug s SER 176 Cb 0.02 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.36 3mug s SER 176 CO -0.00 -0.34 -0.04 -0.55 0.98 0.00 0.00 173.24 173.28 3mug s SER 177 N -1.23 0.55 -0.03 7.02 0.15 -0.51 -0.73 113.70 118.92 3mug s SER 177 Ca -0.13 -0.08 0.06 0.00 0.70 0.00 0.00 55.95 56.50 3mug s SER 177 Cb -0.07 -0.11 -0.01 0.00 -1.71 0.00 0.00 66.02 64.12 3mug s SER 177 CO 0.02 0.03 -0.22 -0.31 1.20 0.00 0.00 173.24 173.96 3mug s TYR 178 N 0.09 1.99 -0.29 3.44 1.51 0.69 -0.82 117.35 123.97 3mug s TYR 178 Ca -0.01 -0.44 0.03 0.00 -1.01 0.00 0.00 57.07 55.64 3mug s TYR 178 Cb -0.04 -1.29 0.07 0.00 -0.11 0.00 0.00 41.96 40.59 3mug s TYR 178 CO -0.00 -0.08 -0.05 -1.17 -1.11 0.00 0.00 175.55 173.13 3mug s LEU 179 N -0.36 3.89 -0.10 -1.29 2.96 -0.67 -1.43 118.68 121.68 3mug s LEU 179 Ca 0.04 -1.64 -0.22 0.00 -0.22 0.00 0.00 54.13 52.10 3mug s LEU 179 Cb -0.10 -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 0.64 -0.44 -1.32 0.00 0.00 176.35 174.98 3mug s SER 180 N 1.05 6.86 0.25 3.68 0.01 -0.46 -1.46 113.70 123.62 3mug s SER 180 Ca -0.02 1.04 0.01 0.00 1.31 0.00 0.00 55.95 58.29 3mug s SER 180 Cb -0.20 -2.37 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 3mug s SER 180 CO -0.06 -0.12 0.09 -0.76 0.41 0.00 0.00 173.24 172.80 3mug s LEU 181 N 0.95 1.66 0.36 2.44 1.43 -0.23 -4.67 118.68 120.62 3mug s LEU 181 Ca 0.33 -1.37 -0.09 0.00 -1.03 0.00 0.00 54.13 51.98 3mug s LEU 181 Cb -0.17 0.03 -0.06 0.00 0.03 0.00 0.00 46.19 46.02 3mug s LEU 181 CO 0.15 -0.72 0.70 0.42 0.23 0.00 0.00 176.35 177.12 3mug s THR 182 N -3.76 4.86 0.59 5.49 -4.23 -1.26 -2.52 115.64 114.81 3mug s THR 182 Ca 0.37 0.45 0.29 0.00 -1.18 0.00 0.00 61.69 61.62 3mug s THR 182 Cb 0.08 -3.72 0.35 0.00 1.34 0.00 0.00 72.50 70.55 3mug s THR 182 CO 0.13 -0.43 2.19 -0.65 -0.54 0.00 0.00 174.62 175.31 3mug h PRO 183 N 1.46 0.00 -0.14 3.99 0.11 -1.82 -2.48 132.00 133.12 3mug h PRO 183 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3mug h PRO 183 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3mug h PRO 183 CO 0.65 0.00 -0.12 0.93 -0.21 0.00 0.00 178.00 179.25 3mug h GLU 184 N 0.00 0.33 -0.56 1.05 3.07 -1.98 -2.67 114.58 113.82 3mug h GLU 184 Ca 0.04 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 3mug h GLU 184 Cb 0.21 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 3mug h GLU 184 CO -0.00 0.70 0.36 1.96 -1.40 0.00 0.00 179.01 180.63 3mug h GLN 185 N -0.04 0.74 -0.78 2.33 4.20 -1.84 -1.49 115.11 118.23 3mug h GLN 185 Ca 0.03 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.73 3mug h GLN 185 Cb 0.63 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 28.19 3mug h GLN 185 CO 0.03 0.50 0.48 2.35 -0.67 0.00 0.00 178.83 181.52 3mug h TRP 186 N 0.76 0.89 0.00 2.96 2.91 -1.48 -2.32 115.95 119.67 3mug h TRP 186 Ca 0.20 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.25 3mug h TRP 186 Cb -0.07 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 28.29 3mug h TRP 186 CO -0.03 0.48 -0.27 0.87 -1.03 0.00 0.00 178.44 178.45 3mug h LYS 187 N 0.91 0.00 0.00 2.65 1.57 -1.29 -3.35 116.57 117.06 3mug h LYS 187 Ca 0.33 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.02 3mug h LYS 187 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3mug h LYS 187 CO -0.15 0.00 -0.42 0.77 -0.57 0.00 0.00 179.45 179.08 3mug h SER 188 N 0.00 0.00 -2.80 0.86 0.02 -0.68 -3.45 113.55 107.49 3mug h SER 188 Ca 0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 3mug h SER 188 Cb 0.77 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.22 3mug h SER 188 CO 0.00 0.42 -0.62 -1.00 -1.14 0.00 0.00 176.83 174.49 3mug s HIS 189 N -3.58 2.99 0.25 3.45 3.76 -1.22 -5.04 115.29 115.90 3mug s HIS 189 Ca -0.00 -0.08 0.03 0.00 -0.15 0.00 0.00 55.06 54.86 3mug s HIS 189 Cb 0.11 -1.44 0.32 0.00 1.11 0.00 0.00 32.58 32.68 3mug s HIS 189 CO 0.70 0.52 1.63 1.57 -0.85 0.00 0.00 174.74 178.31 3mug h LYS 190 N 2.58 0.35 -3.37 1.40 -0.00 -1.89 -3.43 116.57 112.22 3mug h LYS 190 Ca -0.47 -0.19 -0.01 0.00 -0.00 0.00 0.00 60.65 59.98 3mug h LYS 190 Cb 1.20 0.01 -0.08 0.00 -0.00 0.00 0.00 32.23 33.36 3mug h LYS 190 CO 0.60 0.74 0.03 -1.54 -0.00 0.00 0.00 179.45 179.29 3mug s SER 191 N -6.88 -0.17 0.00 7.07 1.04 -1.26 -4.26 113.70 109.23 3mug s SER 191 Ca -0.05 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.62 3mug s SER 191 Cb 0.13 0.64 -0.00 0.00 0.10 0.00 0.00 66.02 66.88 3mug s SER 191 CO 0.80 -1.21 -0.01 -0.31 0.98 0.00 0.00 173.24 173.49 3mug s TYR 192 N -3.96 0.13 0.04 5.02 1.51 -0.25 -0.57 117.35 119.26 3mug s TYR 192 Ca 0.17 -0.08 0.05 0.00 -1.01 0.00 0.00 57.07 56.20 3mug s TYR 192 Cb -0.03 -0.09 -0.02 0.00 -0.11 0.00 0.00 41.96 41.72 3mug s TYR 192 CO 0.07 -0.02 -0.14 -1.12 -1.11 0.00 0.00 175.55 173.23 3mug s SER 193 N -0.19 1.68 -0.26 2.29 0.01 0.27 -1.36 113.70 116.15 3mug s SER 193 Ca -0.01 -0.45 -0.03 0.00 1.31 0.00 0.00 55.95 56.77 3mug s SER 193 Cb -0.02 -0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.12 3mug s SER 193 CO -0.00 0.05 -0.02 0.00 0.41 0.00 0.00 173.24 173.67 3mug s GLN 195 N 1.39 3.32 -0.18 0.00 0.74 0.13 -1.68 119.66 123.37 3mug s GLN 195 Ca 0.02 -0.67 -0.02 0.00 0.05 0.00 0.00 55.36 54.74 3mug s GLN 195 Cb -0.16 -3.08 -0.00 0.00 1.10 0.00 0.00 33.01 30.87 3mug s GLN 195 CO -0.02 -0.24 -0.11 0.08 -0.55 0.00 0.00 175.29 174.44 3mug s VAL 196 N 1.48 2.93 -0.16 1.34 1.01 0.52 -0.59 120.40 126.94 3mug s VAL 196 Ca 0.05 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 3mug s VAL 196 Cb -0.15 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3mug s VAL 196 CO -0.02 0.48 -0.04 -0.89 0.00 0.00 0.00 175.10 174.63 3mug s THR 197 N 1.12 3.80 -0.11 3.92 2.01 0.17 -1.39 115.64 125.16 3mug s THR 197 Ca 0.01 -0.39 -0.04 0.00 0.31 0.00 0.00 61.69 61.59 3mug s THR 197 Cb -0.14 -2.67 0.05 0.00 0.01 0.00 0.00 72.50 69.75 3mug s THR 197 CO -0.03 0.49 0.15 -2.28 -0.69 0.00 0.00 174.62 172.26 3mug s HIS 198 N 0.46 -0.12 -1.35 4.92 2.46 -0.07 -1.04 115.29 120.55 3mug s HIS 198 Ca -0.04 0.39 -0.00 0.00 0.47 0.00 0.00 55.06 55.88 3mug s HIS 198 Cb -0.14 -0.36 -0.00 0.00 -0.13 0.00 0.00 32.58 31.95 3mug s HIS 198 CO 0.03 -0.35 0.57 0.39 -2.47 0.00 0.00 174.74 172.91 3mug n GLU 199 N 5.32 -4.18 -0.08 2.88 -0.58 -1.26 -1.71 120.64 121.02 3mug n GLU 199 Ca -0.05 0.52 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 3mug n GLU 199 Cb 0.50 -4.89 0.00 0.00 -0.57 0.00 0.00 31.44 26.48 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 -1.76 1.64 3.87 0.62 0.00 -1.26 -4.98 105.19 103.33 3mug n GLY 200 Ca -0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 3mug n GLY 200 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mug s SER 203 N -3.11 6.55 -0.03 1.61 1.04 -0.70 -5.11 113.70 113.96 3mug s SER 203 Ca 0.00 0.65 0.03 0.00 0.48 0.00 0.00 55.95 57.11 3mug s SER 203 Cb 0.00 -2.13 -0.00 0.00 0.10 0.00 0.00 66.02 63.99 3mug s SER 203 CO 0.00 0.30 -0.13 -0.89 0.98 0.00 0.00 173.24 173.50 3mug s THR 204 N -1.19 1.08 -0.11 2.02 2.01 -1.26 -0.89 115.64 117.29 3mug s THR 204 Ca 0.24 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.74 3mug s THR 204 Cb -0.14 -0.93 0.00 0.00 0.01 0.00 0.00 72.50 71.44 3mug s THR 204 CO 0.13 0.32 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.46 3mug s VAL 205 N 0.04 2.18 -0.13 3.82 1.01 -0.49 -4.99 120.40 121.85 3mug s VAL 205 Ca -0.02 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.00 3mug s VAL 205 Cb -0.09 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.46 3mug s VAL 205 CO 0.01 0.55 -0.11 -0.70 0.00 0.00 0.00 175.10 174.85 3mug s GLU 206 N 0.46 1.87 0.01 2.72 2.12 -1.26 -0.35 118.70 124.26 3mug s GLU 206 Ca -0.15 -0.39 0.02 0.00 0.36 0.00 0.00 54.97 54.81 3mug s GLU 206 Cb -0.17 -1.80 -0.04 0.00 0.26 0.00 0.00 34.13 32.38 3mug s GLU 206 CO 0.06 -0.24 -0.01 0.15 -0.54 0.00 0.00 175.26 174.68 3mug s LYS 207 N 1.55 2.71 -0.01 4.30 -0.14 -0.68 -4.98 119.74 122.49 3mug s LYS 207 Ca 0.04 -0.66 0.05 0.00 -1.36 0.00 0.00 55.97 54.04 3mug s LYS 207 Cb -0.13 -2.62 -0.01 0.00 -1.68 0.00 0.00 37.83 33.39 3mug s LYS 207 CO -0.08 0.61 -0.16 0.99 -0.76 0.00 0.00 175.35 175.95 3mug s THR 208 N -1.09 1.26 0.05 2.17 2.01 -1.26 -1.76 115.64 117.03 3mug s THR 208 Ca 0.20 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.57 3mug s THR 208 Cb -0.11 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 3mug s THR 208 CO 0.10 0.35 -0.16 0.68 -0.69 0.00 0.00 174.62 174.91 3mug s VAL 209 N -0.38 1.27 -0.05 3.82 -7.23 -0.47 -5.00 120.40 112.37 3mug s VAL 209 Ca 0.06 -1.17 0.05 0.00 -1.81 0.00 0.00 61.98 59.12 3mug s VAL 209 Cb -0.06 -1.16 -0.01 0.00 0.56 0.00 0.00 36.38 35.71 3mug s VAL 209 CO -0.01 -0.02 -0.21 0.00 -0.31 0.00 0.00 175.10 174.55 3mug s ALA 210 N -0.98 1.84 0.56 1.32 0.00 -1.26 -1.09 121.76 122.15 3mug s ALA 210 Ca 0.02 -0.86 0.41 0.00 0.00 0.00 0.00 51.96 51.53 3mug s ALA 210 Cb -0.09 -0.59 1.56 0.00 0.00 0.00 0.00 23.12 24.00 3mug s ALA 210 CO 0.02 0.34 1.66 -1.00 0.00 0.00 0.00 175.76 176.78 3mug h PRO 211 N 6.16 0.00 -5.39 0.00 0.13 -1.81 -3.33 132.00 127.76 3mug h PRO 211 Ca -0.32 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.17 3mug h PRO 211 Cb 1.18 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 3mug h PRO 211 CO 0.47 0.00 0.43 0.95 -0.23 0.00 0.00 178.00 179.63 3mug s THR 212 N -4.83 4.47 0.00 1.56 -4.23 -1.26 -5.08 115.64 106.27 3mug s THR 212 Ca -0.05 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 3mug s THR 212 Cb 0.23 -4.58 0.00 0.00 1.34 0.00 0.00 72.50 69.49 3mug s THR 212 CO 0.79 -1.25 0.00 -0.62 -0.54 0.00 0.00 174.62 173.00