#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mly n SER 2 N 0.00 -5.51 0.00 1.08 2.88 -1.26 -3.13 113.62 107.68 3mly n SER 2 Ca 0.00 1.64 0.00 0.00 -1.33 0.00 0.00 58.87 59.18 3mly n SER 2 Cb 0.00 -5.23 0.00 0.00 -0.75 0.00 0.00 64.21 58.23 3mly n SER 2 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3mly n VAL 3 N 1.77 0.00 -3.76 2.46 0.31 -1.26 -4.63 118.33 113.23 3mly n VAL 3 Ca -0.19 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.79 3mly n VAL 3 Cb 0.29 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.15 3mly n VAL 3 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3mly s LEU 4 N 0.00 4.26 -0.22 7.52 1.43 -1.26 -4.58 118.68 125.83 3mly s LEU 4 Ca 0.00 0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 53.37 3mly s LEU 4 Cb 0.00 -2.10 -0.00 0.00 0.03 0.00 0.00 46.19 44.12 3mly s LEU 4 CO 0.00 0.24 -0.05 -0.89 0.23 0.00 0.00 176.35 175.88 3mly s THR 5 N -0.00 3.24 0.16 5.49 2.01 -0.03 -3.76 115.64 122.74 3mly s THR 5 Ca 0.10 -0.60 0.10 0.00 0.31 0.00 0.00 61.69 61.60 3mly s THR 5 Cb -0.11 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 3mly s THR 5 CO -0.00 0.39 -0.18 -1.10 -0.69 0.00 0.00 174.62 173.03 3mly s GLN 6 N 1.45 1.74 0.50 4.92 -0.21 -1.26 -0.91 119.66 125.88 3mly s GLN 6 Ca 0.05 -1.32 -0.22 0.00 0.02 0.00 0.00 55.36 53.89 3mly s GLN 6 Cb -0.15 -2.03 -0.06 0.00 1.00 0.00 0.00 33.01 31.78 3mly s GLN 6 CO -0.04 0.44 1.23 -1.25 -2.12 0.00 0.00 175.29 173.55 3mly s PRO 7 N -2.47 3.49 0.45 2.91 0.04 -1.26 -4.82 135.00 133.33 3mly s PRO 7 Ca 0.20 1.91 0.22 0.00 0.04 0.00 0.00 61.00 63.37 3mly s PRO 7 Cb -0.09 -2.30 1.06 0.00 0.04 0.00 0.00 34.50 33.20 3mly s PRO 7 CO 0.11 -0.82 1.91 -1.00 0.04 0.00 0.00 177.00 177.25 3mly h PRO 8 N 1.73 0.00 -2.66 0.56 0.13 -1.97 -3.36 132.00 126.43 3mly h PRO 8 Ca -0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 3mly h PRO 8 Cb 1.27 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.25 3mly h PRO 8 CO 0.59 0.24 0.20 -1.54 -0.23 0.00 0.00 178.00 177.25 3mly s SER 9 N -6.39 -0.59 0.01 1.44 1.04 -1.26 -1.32 113.70 106.63 3mly s SER 9 Ca -0.02 0.25 -0.12 0.00 0.48 0.00 0.00 55.95 56.54 3mly s SER 9 Cb 0.12 0.58 0.01 0.00 0.10 0.00 0.00 66.02 66.84 3mly s SER 9 CO 0.64 -0.84 0.26 0.54 0.98 0.00 0.00 173.24 174.82 3mly s VAL 11 N -2.85 0.08 0.05 5.02 0.11 -0.31 -4.89 120.40 117.62 3mly s VAL 11 Ca -0.03 -0.65 -0.15 0.00 -2.93 0.00 0.00 61.98 58.22 3mly s VAL 11 Cb -0.01 -0.73 0.03 0.00 -1.53 0.00 0.00 36.38 34.14 3mly s VAL 11 CO -0.05 -0.36 0.34 -0.94 -3.33 0.00 0.00 175.10 170.76 3mly s SER 12 N -1.68 -0.17 0.17 3.54 1.04 -1.26 -1.81 113.70 113.53 3mly s SER 12 Ca -0.10 -0.17 -0.24 0.00 0.48 0.00 0.00 55.95 55.92 3mly s SER 12 Cb -0.04 0.39 0.06 0.00 0.10 0.00 0.00 66.02 66.53 3mly s SER 12 CO 0.00 -0.66 0.89 0.00 0.98 0.00 0.00 173.24 174.45 3mly s ALA 13 N -2.74 -1.56 0.58 5.32 0.00 -1.07 -4.98 121.76 117.32 3mly s ALA 13 Ca -0.04 0.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.93 3mly s ALA 13 Cb -0.00 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 3mly s ALA 13 CO -0.04 -1.02 0.92 0.00 0.00 0.00 0.00 175.76 175.62 3mly s ALA 14 N -3.44 3.23 0.47 0.00 0.00 -1.26 -0.68 121.76 120.08 3mly s ALA 14 Ca 0.11 -0.42 -0.25 0.00 0.00 0.00 0.00 51.96 51.40 3mly s ALA 14 Cb -0.02 -2.78 -0.08 0.00 0.00 0.00 0.00 23.12 20.24 3mly s ALA 14 CO 0.02 -0.67 1.41 -0.35 0.00 0.00 0.00 175.76 176.18 3mly n PRO 15 N -2.58 2.12 -0.01 0.00 -0.04 -1.26 -1.58 135.00 131.66 3mly n PRO 15 Ca 0.04 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 3mly n PRO 15 Cb 0.56 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 3mly n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mly n GLY 16 N 0.63 2.33 0.00 0.55 0.00 -0.08 -4.86 105.19 103.76 3mly n GLY 16 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3mly n GLY 16 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mly n GLN 17 N -2.00 0.93 -4.27 1.61 6.02 -0.61 -3.98 117.38 115.08 3mly n GLN 17 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 3mly n GLN 17 Cb 0.00 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.16 3mly n GLN 17 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3mly s LYS 18 N -1.64 1.13 0.12 -1.09 -2.85 -1.26 -1.65 119.74 112.51 3mly s LYS 18 Ca 0.00 -1.52 0.00 0.00 -1.00 0.00 0.00 55.97 53.46 3mly s LYS 18 Cb 0.00 -0.58 -0.04 0.00 -2.06 0.00 0.00 37.83 35.15 3mly s LYS 18 CO 0.00 0.01 -0.01 0.14 0.10 0.00 0.00 175.35 175.59 3mly s VAL 19 N -3.39 0.43 -0.02 1.79 -7.23 -0.24 -4.84 120.40 106.90 3mly s VAL 19 Ca 0.20 -1.91 0.05 0.00 -1.81 0.00 0.00 61.98 58.51 3mly s VAL 19 Cb 0.04 -1.87 -0.01 0.00 0.56 0.00 0.00 36.38 35.10 3mly s VAL 19 CO 0.03 -0.68 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.08 3mly s THR 20 N -3.81 1.37 -0.18 5.32 2.01 -1.26 -1.75 115.64 117.34 3mly s THR 20 Ca 0.17 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 61.45 3mly s THR 20 Cb 0.07 -1.14 0.03 0.00 0.01 0.00 0.00 72.50 71.47 3mly s THR 20 CO -0.02 0.39 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.56 3mly s ILE 21 N -0.32 1.57 0.32 1.82 1.01 0.74 -4.98 121.20 121.36 3mly s ILE 21 Ca 0.05 -0.83 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 3mly s ILE 21 Cb -0.08 -1.59 -0.07 0.00 0.01 0.00 0.00 42.46 40.74 3mly s ILE 21 CO -0.00 0.28 0.66 -0.94 0.00 0.00 0.00 174.94 174.93 3mly s SER 22 N 1.45 6.56 -0.19 3.58 1.04 -1.26 -0.95 113.70 123.92 3mly s SER 22 Ca 0.01 0.99 -0.05 0.00 0.48 0.00 0.00 55.95 57.39 3mly s SER 22 Cb -0.15 -2.26 0.07 0.00 0.10 0.00 0.00 66.02 63.78 3mly s SER 22 CO -0.09 -0.24 0.10 0.00 0.98 0.00 0.00 173.24 173.98 3mly s SER 24 N 2.13 5.10 0.00 0.00 0.15 -0.09 -0.42 113.70 120.58 3mly s SER 24 Ca 0.03 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.68 3mly s SER 24 Cb -0.16 -1.73 0.00 0.00 -1.71 0.00 0.00 66.02 62.42 3mly s SER 24 CO -0.15 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.13 3mly n GLY 25 N 3.15 5.43 0.00 9.45 0.00 -0.06 -0.85 105.19 122.31 3mly n GLY 25 Ca -0.17 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3mly n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mly n SER 26 N 0.00 0.00 0.00 1.61 3.41 -1.25 -4.88 113.62 112.50 3mly n SER 26 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3mly n SER 26 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3mly n SER 26 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mly n SER 27 N 0.00 0.00 0.00 4.04 3.41 -1.26 -1.53 113.62 118.28 3mly n SER 27 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3mly n SER 27 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3mly n SER 27 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3mly n ASN 27 N 0.00 0.00 0.07 4.04 0.23 -1.26 -0.93 115.26 117.42 3mly n ASN 27 Ca 0.00 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 54.10 3mly n ASN 27 Cb 0.00 0.00 0.48 0.00 -2.08 0.00 0.00 39.78 38.18 3mly n ASN 27 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 3mly h ILE 28 N 0.00 1.08 -0.87 1.53 2.04 -1.75 -0.31 117.51 119.23 3mly h ILE 28 Ca 0.00 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 3mly h ILE 28 Cb 0.00 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 3mly h ILE 28 CO 0.00 0.09 0.51 1.23 0.00 0.00 0.00 178.15 179.98 3mly h GLY 29 N 0.43 1.27 0.17 5.37 0.00 -1.42 -3.28 103.07 105.61 3mly h GLY 29 Ca 0.10 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3mly h GLY 29 CO -0.02 0.52 -1.70 0.70 0.00 0.00 0.00 176.54 176.04 3mly n ASN 30 N -4.40 0.26 -4.12 0.19 5.03 -0.78 -4.99 115.26 106.45 3mly n ASN 30 Ca 0.09 -0.08 -0.09 0.00 0.87 0.00 0.00 54.58 55.36 3mly n ASN 30 Cb 0.07 1.61 -0.10 0.00 -1.02 0.00 0.00 39.78 40.34 3mly n ASN 30 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3mly s ASN 31 N -4.41 0.80 0.13 6.41 0.01 -0.20 -5.06 114.94 112.62 3mly s ASN 31 Ca -0.04 -0.94 -0.28 0.00 -0.71 0.00 0.00 52.86 50.89 3mly s ASN 31 Cb 0.14 0.13 -0.07 0.00 0.41 0.00 0.00 41.25 41.86 3mly s ASN 31 CO 0.88 -0.49 0.86 -0.04 -1.51 0.00 0.00 177.10 176.80 3mly s MET 32 N -3.55 4.64 0.04 -0.60 -1.94 -1.26 -4.51 119.30 112.12 3mly s MET 32 Ca 0.06 1.28 -0.18 0.00 -1.71 0.00 0.00 55.69 55.15 3mly s MET 32 Cb 0.04 -3.33 -0.06 0.00 2.01 0.00 0.00 34.83 33.49 3mly s MET 32 CO -0.06 0.38 0.51 0.08 -0.01 0.00 0.00 175.02 175.92 3mly s VAL 33 N -0.51 4.86 0.24 -6.03 1.01 -1.26 -4.63 120.40 114.07 3mly s VAL 33 Ca 0.41 1.09 0.11 0.00 0.00 0.00 0.00 61.98 63.59 3mly s VAL 33 Cb -0.23 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 3mly s VAL 33 CO 0.28 0.55 -0.17 -0.94 0.00 0.00 0.00 175.10 174.81 3mly s SER 34 N -0.97 3.76 0.09 3.32 1.04 -0.01 -0.85 113.70 120.08 3mly s SER 34 Ca 0.27 -0.86 0.06 0.00 0.48 0.00 0.00 55.95 55.90 3mly s SER 34 Cb -0.18 -0.42 -0.03 0.00 0.10 0.00 0.00 66.02 65.49 3mly s SER 34 CO 0.17 0.07 -0.15 0.26 0.98 0.00 0.00 173.24 174.57 3mly s TRP 35 N -2.10 1.33 0.03 5.02 0.52 -0.18 -0.75 118.94 122.81 3mly s TRP 35 Ca 0.27 -0.48 0.04 0.00 0.02 0.00 0.00 56.10 55.94 3mly s TRP 35 Cb -0.07 -0.73 -0.02 0.00 -1.15 0.00 0.00 33.47 31.50 3mly s TRP 35 CO 0.14 0.10 -0.12 0.71 0.02 0.00 0.00 176.95 177.79 3mly s TYR 36 N -1.51 1.08 -0.17 -1.98 1.51 0.25 -0.52 117.35 116.02 3mly s TYR 36 Ca 0.02 -0.33 -0.04 0.00 -1.01 0.00 0.00 57.07 55.71 3mly s TYR 36 Cb -0.09 -0.65 -0.02 0.00 -0.11 0.00 0.00 41.96 41.09 3mly s TYR 36 CO 0.03 0.01 -0.04 -1.14 -1.11 0.00 0.00 175.55 173.30 3mly s GLN 37 N -1.03 3.60 -0.18 -0.62 0.74 -0.11 -1.50 119.66 120.58 3mly s GLN 37 Ca 0.01 -0.54 -0.00 0.00 0.05 0.00 0.00 55.36 54.87 3mly s GLN 37 Cb -0.07 -2.94 0.04 0.00 1.10 0.00 0.00 33.01 31.14 3mly s GLN 37 CO 0.01 0.14 -0.06 -1.14 -0.55 0.00 0.00 175.29 173.69 3mly s GLN 38 N 0.63 1.54 0.20 1.67 0.74 0.51 -0.36 119.66 124.59 3mly s GLN 38 Ca -0.02 -0.61 -0.24 0.00 0.05 0.00 0.00 55.36 54.54 3mly s GLN 38 Cb -0.14 -2.13 -0.08 0.00 1.10 0.00 0.00 33.01 31.75 3mly s GLN 38 CO 0.02 -0.45 0.79 -1.01 -0.55 0.00 0.00 175.29 174.09 3mly s HIS 39 N 1.58 3.81 0.24 1.67 3.76 -1.26 -1.02 115.29 124.07 3mly s HIS 39 Ca -0.00 1.59 -0.31 0.00 -0.15 0.00 0.00 55.06 56.19 3mly s HIS 39 Cb -0.16 -2.75 -0.13 0.00 1.11 0.00 0.00 32.58 30.65 3mly s HIS 39 CO -0.08 0.43 1.39 -0.35 -0.85 0.00 0.00 174.74 175.28 3mly n PRO 40 N 1.22 2.00 -0.91 8.40 -0.04 -1.26 -1.78 135.00 142.63 3mly n PRO 40 Ca -0.04 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 3mly n PRO 40 Cb 0.49 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 3mly n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mly n GLY 41 N 2.11 0.71 3.30 0.55 0.00 -1.26 -5.03 105.19 105.57 3mly n GLY 41 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 3mly n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mly s THR 42 N -2.75 1.39 0.60 2.61 -4.23 -0.74 -5.14 115.64 107.39 3mly s THR 42 Ca 0.00 -2.12 -0.19 0.00 -1.18 0.00 0.00 61.69 58.20 3mly s THR 42 Cb 0.00 -1.97 -0.03 0.00 1.34 0.00 0.00 72.50 71.84 3mly s THR 42 CO 0.00 -0.65 1.24 0.00 -0.54 0.00 0.00 174.62 174.67 3mly s ALA 43 N -3.19 2.52 0.48 3.99 0.00 -1.26 -4.62 121.76 119.68 3mly s ALA 43 Ca 0.20 1.08 -0.23 0.00 0.00 0.00 0.00 51.96 53.01 3mly s ALA 43 Cb 0.02 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.57 3mly s ALA 43 CO 0.04 -1.28 1.17 -2.30 0.00 0.00 0.00 175.76 173.39 3mly n PRO 44 N -1.63 1.57 -4.84 0.00 -0.02 -1.26 -4.67 135.00 124.14 3mly n PRO 44 Ca 0.14 0.57 -0.33 0.00 -2.02 0.00 0.00 63.50 61.86 3mly n PRO 44 Cb 0.49 -2.31 -0.15 0.00 -0.02 0.00 0.00 33.50 31.51 3mly n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3mly s LYS 45 N -2.41 3.33 0.10 -0.52 2.20 0.51 -4.92 119.74 118.04 3mly s LYS 45 Ca 0.66 -0.72 -0.31 0.00 -0.36 0.00 0.00 55.97 55.25 3mly s LYS 45 Cb -0.48 -2.58 -0.10 0.00 -1.51 0.00 0.00 37.83 33.16 3mly s LYS 45 CO 0.54 0.20 1.78 -1.17 -0.36 0.00 0.00 175.35 176.35 3mly s LEU 46 N 0.36 4.39 -0.17 5.43 2.96 -1.26 -0.93 118.68 129.46 3mly s LEU 46 Ca -0.12 2.68 -0.04 0.00 -0.22 0.00 0.00 54.13 56.43 3mly s LEU 46 Cb -0.16 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.88 3mly s LEU 46 CO 0.06 -0.97 -0.18 0.18 -1.32 0.00 0.00 176.35 174.12 3mly n LEU 47 N 5.73 2.07 -3.90 -0.68 4.77 0.32 -4.84 117.00 120.48 3mly n LEU 47 Ca 0.17 0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 56.11 3mly n LEU 47 Cb 0.39 -0.53 -0.13 0.00 -2.33 0.00 0.00 43.42 40.82 3mly n LEU 47 CO 0.65 0.56 -0.35 -0.63 -1.33 0.00 0.00 177.39 176.29 3mly s ILE 48 N -2.31 0.03 0.06 -0.08 -1.09 -1.10 -4.23 121.20 112.48 3mly s ILE 48 Ca -0.23 -0.28 -0.00 0.00 -2.23 0.00 0.00 60.65 57.92 3mly s ILE 48 Cb 0.07 -0.10 -0.04 0.00 -1.58 0.00 0.00 42.46 40.81 3mly s ILE 48 CO 0.33 -0.15 -0.04 -0.72 -1.23 0.00 0.00 174.94 173.13 3mly s TYR 49 N -0.45 0.63 -1.38 3.97 -0.85 0.31 -1.01 117.35 118.58 3mly s TYR 49 Ca -0.05 -1.00 -0.03 0.00 -0.52 0.00 0.00 57.07 55.46 3mly s TYR 49 Cb -0.03 -0.42 0.02 0.00 0.38 0.00 0.00 41.96 41.91 3mly s TYR 49 CO -0.00 -0.30 0.69 0.39 -1.52 0.00 0.00 175.55 174.81 3mly n GLU 50 N 0.11 -4.62 0.00 -3.49 1.02 -1.16 -0.98 120.64 111.53 3mly n GLU 50 Ca -0.14 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 3mly n GLU 50 Cb 0.61 -5.09 0.00 0.00 -0.02 0.00 0.00 31.44 26.94 3mly n GLU 50 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3mly n ASN 51 N -2.99 0.00 0.00 1.62 3.02 -0.03 -4.07 115.26 112.81 3mly n ASN 51 Ca -0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 3mly n ASN 51 Cb 0.65 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 3mly n ASN 51 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3mly n SER 52 N 1.77 0.00 -4.83 6.41 3.41 -1.16 -2.55 113.62 116.67 3mly n SER 52 Ca 0.00 -0.73 -0.36 0.00 -0.26 0.00 0.00 58.87 57.52 3mly n SER 52 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3mly n SER 52 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3mly s LYS 53 N 0.00 4.10 -0.19 4.33 1.02 -0.15 -4.45 119.74 124.40 3mly s LYS 53 Ca 0.00 0.64 -0.05 0.00 0.02 0.00 0.00 55.97 56.59 3mly s LYS 53 Cb 0.00 -2.95 -0.03 0.00 -0.52 0.00 0.00 37.83 34.33 3mly s LYS 53 CO 0.00 0.47 -0.01 1.03 -0.92 0.00 0.00 175.35 175.93 3mly s ARG 54 N -1.85 3.66 0.92 1.68 0.52 -1.26 -0.53 118.95 122.09 3mly s ARG 54 Ca 0.38 -0.51 -0.11 0.00 -0.52 0.00 0.00 55.73 54.98 3mly s ARG 54 Cb -0.16 -3.04 0.14 0.00 0.52 0.00 0.00 34.95 32.41 3mly s ARG 54 CO 0.20 0.10 1.11 -1.25 0.02 0.00 0.00 175.30 175.49 3mly s PRO 55 N 0.75 1.03 0.28 3.54 0.04 -1.26 -4.91 135.00 134.47 3mly s PRO 55 Ca -0.00 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.05 3mly s PRO 55 Cb -0.14 -1.75 -0.12 0.00 0.04 0.00 0.00 34.50 32.53 3mly s PRO 55 CO 0.02 -2.54 1.55 0.45 0.04 0.00 0.00 177.00 176.51 3mly n SER 56 N -4.15 3.55 0.00 6.66 2.88 -1.26 -2.37 113.62 118.92 3mly n SER 56 Ca 0.10 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 3mly n SER 56 Cb 0.53 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 3mly n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mly n GLY 57 N 2.22 0.79 3.62 0.46 0.00 -1.26 -5.05 105.19 105.97 3mly n GLY 57 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3mly n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mly s ILE 58 N -2.21 5.19 0.62 -0.61 -1.09 -1.00 -5.07 121.20 117.03 3mly s ILE 58 Ca 0.00 0.56 -0.16 0.00 -2.23 0.00 0.00 60.65 58.82 3mly s ILE 58 Cb 0.00 -3.69 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 3mly s ILE 58 CO 0.00 0.19 1.10 -2.16 -1.23 0.00 0.00 174.94 172.83 3mly s PRO 59 N 1.87 3.05 0.00 2.79 0.04 -1.26 -4.86 135.00 136.62 3mly s PRO 59 Ca 0.15 1.37 0.08 0.00 0.04 0.00 0.00 61.00 62.64 3mly s PRO 59 Cb -0.15 -1.98 0.49 0.00 0.04 0.00 0.00 34.50 32.89 3mly s PRO 59 CO 0.09 -1.05 0.97 -0.40 0.04 0.00 0.00 177.00 176.66 3mly n ASP 60 N -2.11 0.00 0.25 6.66 5.68 -1.26 -1.67 116.55 124.10 3mly n ASP 60 Ca 0.10 -0.21 0.11 0.00 -0.50 0.00 0.00 54.79 54.28 3mly n ASP 60 Cb 0.52 -0.03 0.66 0.00 -1.14 0.00 0.00 41.12 41.13 3mly n ASP 60 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3mly h ARG 61 N 0.00 0.00 -5.56 0.11 3.08 -1.90 -3.41 114.38 106.71 3mly h ARG 61 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 3mly h ARG 61 Cb 0.01 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 29.97 3mly h ARG 61 CO 0.00 0.15 -0.33 -0.06 -1.07 0.00 0.00 179.97 178.66 3mly s PHE 62 N -4.28 3.50 0.01 3.04 0.40 -0.67 -1.95 117.98 118.04 3mly s PHE 62 Ca -0.03 0.62 -0.03 0.00 -0.60 0.00 0.00 56.93 56.89 3mly s PHE 62 Cb 0.14 -2.29 -0.01 0.00 0.51 0.00 0.00 43.02 41.36 3mly s PHE 62 CO 0.62 0.33 0.05 -1.54 0.70 0.00 0.00 175.22 175.38 3mly s SER 63 N 0.15 0.13 0.12 1.36 1.04 -0.42 -4.96 113.70 111.14 3mly s SER 63 Ca 0.17 -0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.30 3mly s SER 63 Cb -0.13 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 3mly s SER 63 CO 0.05 -0.33 -0.12 -0.83 0.98 0.00 0.00 173.24 172.99 3mly s GLY 64 N -1.40 1.02 0.10 7.32 0.00 -1.26 -0.31 107.32 112.79 3mly s GLY 64 Ca -0.15 -1.32 -0.16 0.00 0.00 0.00 0.00 44.72 43.09 3mly s GLY 64 CO 0.00 -1.39 0.39 -1.35 0.00 0.00 0.00 173.10 170.75 3mly s SER 65 N -2.64 -0.23 -0.06 1.64 1.04 -0.70 -4.11 113.70 108.64 3mly s SER 65 Ca 0.10 -0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.30 3mly s SER 65 Cb -0.03 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.56 3mly s SER 65 CO 0.02 -0.80 -0.14 -0.60 0.98 0.00 0.00 173.24 172.70 3mly s ARG 66 N -3.49 1.73 -0.11 4.02 3.00 -1.26 -1.08 118.95 121.76 3mly s ARG 66 Ca 0.01 -0.48 -0.03 0.00 -1.00 0.00 0.00 55.73 54.23 3mly s ARG 66 Cb 0.01 -1.45 0.05 0.00 0.00 0.00 0.00 34.95 33.57 3mly s ARG 66 CO -0.10 0.10 0.09 0.45 0.00 0.00 0.00 175.30 175.84 3mly s SER 67 N 0.44 1.65 1.82 -2.12 0.15 -0.11 -5.01 113.70 110.53 3mly s SER 67 Ca -0.11 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.32 3mly s SER 67 Cb -0.14 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 3mly s SER 67 CO 0.03 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.79 3mly n GLY 68 N 5.29 3.83 1.28 9.45 0.00 -1.26 -2.15 105.19 121.63 3mly n GLY 68 Ca -0.05 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.05 3mly n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mly n THR 69 N 0.00 1.97 -4.31 2.61 -2.24 -1.26 -4.05 114.28 107.01 3mly n THR 69 Ca 0.00 -1.40 -0.20 0.00 -2.27 0.00 0.00 64.05 60.19 3mly n THR 69 Cb 0.00 0.02 -0.11 0.00 -2.10 0.00 0.00 70.33 68.14 3mly n THR 69 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3mly s SER 70 N -1.20 2.44 0.09 3.42 0.01 -0.92 -0.88 113.70 116.67 3mly s SER 70 Ca 0.45 -0.88 0.03 0.00 1.31 0.00 0.00 55.95 56.85 3mly s SER 70 Cb 0.31 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 66.38 3mly s SER 70 CO 0.17 -0.10 -0.08 0.00 0.41 0.00 0.00 173.24 173.64 3mly s ALA 71 N -2.29 0.97 -0.02 1.44 0.00 0.44 -0.93 121.76 121.37 3mly s ALA 71 Ca 0.15 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.96 3mly s ALA 71 Cb -0.04 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.16 3mly s ALA 71 CO 0.05 -0.10 -0.05 0.99 0.00 0.00 0.00 175.76 176.65 3mly s THR 72 N -2.65 0.48 -0.17 0.00 2.01 -0.24 -0.22 115.64 114.85 3mly s THR 72 Ca 0.05 -0.18 -0.06 0.00 0.31 0.00 0.00 61.69 61.81 3mly s THR 72 Cb -0.01 -0.46 -0.03 0.00 0.01 0.00 0.00 72.50 72.01 3mly s THR 72 CO -0.01 0.17 0.02 -0.22 -0.69 0.00 0.00 174.62 173.88 3mly s LEU 73 N 0.34 3.53 -0.07 4.42 2.96 -0.12 -1.72 118.68 128.02 3mly s LEU 73 Ca -0.04 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 3mly s LEU 73 Cb -0.08 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 3mly s LEU 73 CO -0.00 0.16 -0.09 -0.83 -1.32 0.00 0.00 176.35 174.27 3mly s GLY 74 N 0.42 1.64 -0.09 7.98 0.00 0.57 -0.19 107.32 117.65 3mly s GLY 74 Ca -0.00 -0.92 -0.00 0.00 0.00 0.00 0.00 44.72 43.80 3mly s GLY 74 CO 0.02 -0.66 -0.06 -0.42 0.00 0.00 0.00 173.10 171.98 3mly s ILE 75 N -0.69 0.84 0.43 0.90 1.01 -0.72 -1.30 121.20 121.68 3mly s ILE 75 Ca 0.10 -0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.62 3mly s ILE 75 Cb -0.11 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 3mly s ILE 75 CO 0.01 0.33 0.20 0.27 0.00 0.00 0.00 174.94 175.75 3mly s ILE 76 N 1.55 2.20 -1.41 2.92 -4.36 -0.82 -1.08 121.20 120.20 3mly s ILE 76 Ca 0.01 -1.68 -0.04 0.00 -0.26 0.00 0.00 60.65 58.67 3mly s ILE 76 Cb -0.13 -2.88 0.03 0.00 1.25 0.00 0.00 42.46 40.73 3mly s ILE 76 CO -0.05 0.00 0.70 0.61 0.24 0.00 0.00 174.94 176.44 3mly n GLY 77 N -1.30 -0.33 3.62 6.27 0.00 -0.86 -4.81 105.19 107.79 3mly n GLY 77 Ca -0.02 0.15 -0.47 0.00 0.00 0.00 0.00 46.02 45.68 3mly n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mly n LEU 78 N -4.41 2.18 -4.39 0.99 4.77 -0.66 -4.49 117.00 111.00 3mly n LEU 78 Ca -0.20 1.14 -0.28 0.00 -0.03 0.00 0.00 56.01 56.64 3mly n LEU 78 Cb 0.63 -1.30 -0.13 0.00 -2.33 0.00 0.00 43.42 40.30 3mly n LEU 78 CO 0.73 -0.96 -0.55 -1.10 -1.33 0.00 0.00 177.39 174.18 3mly s GLN 79 N -0.35 1.41 0.37 3.23 -0.21 -1.26 -0.90 119.66 121.94 3mly s GLN 79 Ca 0.71 -1.38 0.14 0.00 0.02 0.00 0.00 55.36 54.85 3mly s GLN 79 Cb -0.77 -1.83 0.97 0.00 1.00 0.00 0.00 33.01 32.38 3mly s GLN 79 CO 0.51 0.42 1.79 1.15 -2.12 0.00 0.00 175.29 177.04 3mly h THR 80 N 3.70 0.62 0.00 -0.19 2.02 -1.94 0.56 112.91 117.69 3mly h THR 80 Ca -0.49 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.51 3mly h THR 80 Cb 1.18 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3mly h THR 80 CO 0.42 0.10 0.00 0.61 0.37 0.00 0.00 175.52 177.01 3mly n GLY 81 N -1.43 -0.87 0.10 2.16 0.00 -1.26 -1.74 105.19 102.15 3mly n GLY 81 Ca 0.23 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.37 3mly n GLY 81 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mly n ASP 82 N -1.60 0.76 -4.68 1.61 8.00 0.19 -4.80 116.55 116.03 3mly n ASP 82 Ca 0.02 0.58 -0.45 0.00 0.71 0.00 0.00 54.79 55.65 3mly n ASP 82 Cb 0.12 -0.78 -0.04 0.00 -0.02 0.00 0.00 41.12 40.40 3mly n ASP 82 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3mly n GLU 83 N -2.22 2.44 -3.75 -1.24 1.02 -0.71 -4.86 120.64 111.30 3mly n GLU 83 Ca 0.05 0.89 0.04 0.00 -0.02 0.00 0.00 57.16 58.12 3mly n GLU 83 Cb 0.41 -2.75 0.00 0.00 -0.02 0.00 0.00 31.44 29.09 3mly n GLU 83 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mly s ALA 84 N 3.11 -2.54 -0.11 0.62 0.00 -1.21 -4.86 121.76 116.77 3mly s ALA 84 Ca 0.86 0.58 -0.11 0.00 0.00 0.00 0.00 51.96 53.30 3mly s ALA 84 Cb -0.60 0.54 -0.05 0.00 0.00 0.00 0.00 23.12 23.01 3mly s ALA 84 CO 0.44 -1.11 0.23 -2.00 0.00 0.00 0.00 175.76 173.32 3mly s GLU 85 N -2.08 3.82 -0.09 0.00 2.56 -0.19 -1.54 118.70 121.19 3mly s GLU 85 Ca 0.22 0.03 0.03 0.00 0.00 0.00 0.00 54.97 55.25 3mly s GLU 85 Cb 0.04 -3.28 -0.01 0.00 2.00 0.00 0.00 34.13 32.88 3mly s GLU 85 CO -0.04 0.58 -0.20 0.71 -0.56 0.00 0.00 175.26 175.74 3mly s TYR 86 N -0.53 2.61 0.02 5.30 1.51 0.21 -0.36 117.35 126.11 3mly s TYR 86 Ca 0.16 -0.72 0.08 0.00 -1.01 0.00 0.00 57.07 55.58 3mly s TYR 86 Cb -0.13 -1.70 -0.02 0.00 -0.11 0.00 0.00 41.96 39.99 3mly s TYR 86 CO 0.05 -0.22 -0.22 0.71 -1.11 0.00 0.00 175.55 174.75 3mly s TYR 87 N 0.06 1.98 0.21 2.71 1.51 -0.56 -1.03 117.35 122.22 3mly s TYR 87 Ca -0.08 -0.38 0.06 0.00 -1.01 0.00 0.00 57.07 55.65 3mly s TYR 87 Cb -0.15 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 3mly s TYR 87 CO 0.05 0.06 0.20 0.00 -1.11 0.00 0.00 175.55 174.75 3mly s ALA 89 N -1.95 -1.39 0.30 0.00 0.00 0.07 -0.98 121.76 117.82 3mly s ALA 89 Ca 0.32 0.93 -0.12 0.00 0.00 0.00 0.00 51.96 53.09 3mly s ALA 89 Cb -0.09 0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.12 3mly s ALA 89 CO 0.25 -0.33 0.66 -2.37 0.00 0.00 0.00 175.76 173.96 3mly n THR 90 N 1.03 0.00 -3.06 0.00 5.66 -0.91 -0.83 114.28 116.16 3mly n THR 90 Ca -0.20 -0.76 -0.39 0.00 -3.05 0.00 0.00 64.05 59.64 3mly n THR 90 Cb 0.57 0.78 -0.06 0.00 -1.55 0.00 0.00 70.33 70.07 3mly n THR 90 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 3mly s TRP 91 N -3.43 3.81 0.06 1.09 -0.11 -1.26 -0.76 118.94 118.34 3mly s TRP 91 Ca 0.13 1.47 0.04 0.00 1.22 0.00 0.00 56.10 58.96 3mly s TRP 91 Cb -0.04 -2.71 -0.04 0.00 -1.50 0.00 0.00 33.47 29.18 3mly s TRP 91 CO 0.09 0.44 0.01 0.34 -4.62 0.00 0.00 176.95 173.21 3mly s ASP 92 N -0.70 5.09 0.28 5.86 -1.08 0.09 -4.34 116.67 121.88 3mly s ASP 92 Ca 0.35 -0.11 0.22 0.00 -0.52 0.00 0.00 52.55 52.48 3mly s ASP 92 Cb -0.21 -1.26 1.05 0.00 -1.46 0.00 0.00 42.92 41.04 3mly s ASP 92 CO 0.23 0.21 1.66 0.61 0.52 0.00 0.00 175.17 178.39 3mly n GLY 93 N 0.80 -1.02 0.00 2.66 0.00 -0.10 -0.82 105.19 106.71 3mly n GLY 93 Ca -0.12 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.16 3mly n GLY 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mly n SER 94 N -2.22 0.00 -0.93 1.61 3.41 -1.26 -4.87 113.62 109.37 3mly n SER 94 Ca 0.00 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 3mly n SER 94 Cb 0.11 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 3mly n SER 94 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3mly n LEU 95 N -1.01 -1.51 -3.52 1.04 4.77 0.00 -5.10 117.00 111.68 3mly n LEU 95 Ca 0.16 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.02 3mly n LEU 95 Cb 0.08 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 3mly n LEU 95 CO 0.13 0.00 0.60 0.00 -1.33 0.00 0.00 177.39 176.78 3mly s ARG 95 N -2.77 0.89 0.11 3.23 1.70 -1.16 -5.02 118.95 115.93 3mly s ARG 95 Ca 0.00 -0.01 -0.30 0.00 -0.47 0.00 0.00 55.73 54.95 3mly s ARG 95 Cb 0.00 0.42 -0.06 0.00 -0.57 0.00 0.00 34.95 34.74 3mly s ARG 95 CO 0.00 -0.33 0.97 0.99 -1.08 0.00 0.00 175.30 175.85 3mly s THR 96 N -2.00 4.48 -0.00 4.99 2.01 -1.26 -0.73 115.64 123.13 3mly s THR 96 Ca -0.03 2.06 0.06 0.00 0.31 0.00 0.00 61.69 64.10 3mly s THR 96 Cb -0.01 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 3mly s THR 96 CO -0.00 0.32 -0.19 0.68 -0.69 0.00 0.00 174.62 174.74 3mly s VAL 97 N -0.02 2.71 0.05 3.82 -7.23 0.06 -4.92 120.40 114.86 3mly s VAL 97 Ca 0.47 -1.01 0.05 0.00 -1.81 0.00 0.00 61.98 59.68 3mly s VAL 97 Cb -0.24 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 3mly s VAL 97 CO 0.30 0.48 -0.08 -0.36 -0.31 0.00 0.00 175.10 175.13 3mly s PHE 98 N -0.79 2.82 0.96 2.82 0.08 -1.26 -2.15 117.98 120.46 3mly s PHE 98 Ca 0.12 -0.10 -0.12 0.00 0.12 0.00 0.00 56.93 56.96 3mly s PHE 98 Cb -0.10 -1.53 0.17 0.00 -0.57 0.00 0.00 43.02 40.98 3mly s PHE 98 CO 0.02 0.39 1.09 0.20 -0.10 0.00 0.00 175.22 176.82 3mly s GLY 99 N -1.80 1.61 0.01 4.36 0.00 -0.15 -4.31 107.32 107.04 3mly s GLY 99 Ca 0.19 -0.01 0.22 0.00 0.00 0.00 0.00 44.72 45.12 3mly s GLY 99 CO 0.11 0.52 1.70 0.61 0.00 0.00 0.00 173.10 176.04 3mly n GLY 100 N -0.59 -1.26 0.00 0.20 0.00 -1.18 -4.72 105.19 97.65 3mly n GLY 100 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3mly n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mly n GLY 101 N 0.75 2.15 3.07 -0.02 0.00 -1.26 -4.74 105.19 105.14 3mly n GLY 101 Ca 0.05 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 3mly n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mly s THR 102 N -1.27 1.55 -0.18 2.61 2.01 -0.20 -4.41 115.64 115.74 3mly s THR 102 Ca 0.00 -0.67 -0.25 0.00 0.31 0.00 0.00 61.69 61.08 3mly s THR 102 Cb 0.00 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 71.09 3mly s THR 102 CO 0.00 0.45 0.82 -0.75 -0.69 0.00 0.00 174.62 174.45 3mly s LYS 103 N 0.97 4.28 -0.25 4.92 2.20 -0.44 -0.62 119.74 130.81 3mly s LYS 103 Ca -0.07 0.99 -0.12 0.00 -0.36 0.00 0.00 55.97 56.42 3mly s LYS 103 Cb -0.15 -3.58 -0.05 0.00 -1.51 0.00 0.00 37.83 32.54 3mly s LYS 103 CO -0.02 -0.35 0.22 -1.17 -0.36 0.00 0.00 175.35 173.67 3mly s LEU 104 N 2.23 4.09 -0.14 5.43 2.96 -0.59 -1.16 118.68 131.51 3mly s LEU 104 Ca 0.37 0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 54.42 3mly s LEU 104 Cb -0.16 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.32 3mly s LEU 104 CO 0.12 -0.00 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.15 3mly s THR 105 N 1.35 3.23 -0.45 3.68 2.01 -0.75 -3.36 115.64 121.35 3mly s THR 105 Ca 0.09 -0.59 -0.19 0.00 0.31 0.00 0.00 61.69 61.31 3mly s THR 105 Cb -0.14 -2.38 0.03 0.00 0.01 0.00 0.00 72.50 70.02 3mly s THR 105 CO 0.07 0.51 0.54 -0.69 -0.69 0.00 0.00 174.62 174.37 3mly s VAL 106 N 0.40 4.96 -0.01 3.82 1.01 -1.26 -2.60 120.40 126.73 3mly s VAL 106 Ca -0.09 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 3mly s VAL 106 Cb -0.15 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 3mly s VAL 106 CO 0.05 -0.59 1.73 -0.76 0.00 0.00 0.00 175.10 175.53 3mly s LEU 106 N 2.44 4.36 0.00 3.92 1.43 0.14 -4.88 118.68 126.09 3mly s LEU 106 Ca 0.15 2.40 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 3mly s LEU 106 Cb -0.17 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.51 3mly s LEU 106 CO 0.14 -0.95 0.69 -1.54 0.23 0.00 0.00 176.35 174.92 3mly n SER 107 N 6.90 1.26 -3.84 2.29 3.41 -1.26 -4.39 113.62 117.99 3mly n SER 107 Ca 0.18 -1.46 -0.09 0.00 -0.26 0.00 0.00 58.87 57.23 3mly n SER 107 Cb 0.42 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 3mly n SER 107 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mly s GLN 108 N -0.46 1.54 0.62 4.33 -2.07 -1.26 -5.15 119.66 117.21 3mly s GLN 108 Ca 0.00 -1.00 -0.19 0.00 -1.82 0.00 0.00 55.36 52.36 3mly s GLN 108 Cb 0.00 0.53 -0.02 0.00 -1.09 0.00 0.00 33.01 32.43 3mly s GLN 108 CO 0.00 -0.66 1.29 -2.14 -1.32 0.00 0.00 175.29 172.46 3mly s PRO 109 N -3.92 2.70 0.44 9.60 0.02 -1.26 -4.94 135.00 137.63 3mly s PRO 109 Ca 0.13 2.06 -0.25 0.00 0.02 0.00 0.00 61.00 62.96 3mly s PRO 109 Cb -0.02 -1.92 -0.08 0.00 0.02 0.00 0.00 34.50 32.50 3mly s PRO 109 CO 0.03 -1.48 1.34 0.15 -0.33 0.00 0.00 177.00 176.71 3mly s LYS 110 N -3.30 3.78 -0.07 5.54 1.02 -1.26 -4.86 119.74 120.60 3mly s LYS 110 Ca 0.80 2.23 -0.00 0.00 0.02 0.00 0.00 55.97 59.02 3mly s LYS 110 Cb -0.37 -2.66 0.03 0.00 -0.52 0.00 0.00 37.83 34.31 3mly s LYS 110 CO 0.40 -0.67 -0.03 0.00 -0.92 0.00 0.00 175.35 174.13 3mly s ALA 111 N -1.26 0.79 0.48 5.17 0.00 0.49 -4.93 121.76 122.50 3mly s ALA 111 Ca 0.60 -0.17 -0.21 0.00 0.00 0.00 0.00 51.96 52.18 3mly s ALA 111 Cb -0.40 -0.66 -0.08 0.00 0.00 0.00 0.00 23.12 21.98 3mly s ALA 111 CO 0.51 -0.29 1.05 0.00 0.00 0.00 0.00 175.76 177.03 3mly s ALA 112 N 1.55 2.88 0.38 0.00 0.00 -1.26 -1.32 121.76 123.99 3mly s ALA 112 Ca -0.01 0.65 -0.26 0.00 0.00 0.00 0.00 51.96 52.35 3mly s ALA 112 Cb -0.13 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 3mly s ALA 112 CO -0.04 -0.36 1.15 -1.25 0.00 0.00 0.00 175.76 175.26 3mly s PRO 113 N -3.13 4.18 -0.08 0.00 0.04 -1.26 -4.47 135.00 130.28 3mly s PRO 113 Ca 0.67 1.81 -0.18 0.00 0.04 0.00 0.00 61.00 63.34 3mly s PRO 113 Cb -0.18 -2.76 -0.05 0.00 0.04 0.00 0.00 34.50 31.55 3mly s PRO 113 CO 0.22 -0.20 0.47 -1.12 0.04 0.00 0.00 177.00 176.41 3mly s SER 114 N -1.11 6.74 -0.10 6.66 0.01 0.04 -4.89 113.70 121.05 3mly s SER 114 Ca 0.55 0.88 0.04 0.00 1.31 0.00 0.00 55.95 58.73 3mly s SER 114 Cb -0.30 -2.28 -0.00 0.00 0.21 0.00 0.00 66.02 63.64 3mly s SER 114 CO 0.38 0.09 -0.24 -0.69 0.41 0.00 0.00 173.24 173.20 3mly s VAL 115 N 0.13 2.04 -0.09 3.43 1.01 -1.26 -1.04 120.40 124.63 3mly s VAL 115 Ca 0.26 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.25 3mly s VAL 115 Cb -0.16 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.47 3mly s VAL 115 CO 0.12 0.56 -0.16 -0.89 0.00 0.00 0.00 175.10 174.73 3mly s THR 116 N 0.33 1.44 -0.13 3.92 2.01 -0.40 -4.96 115.64 117.85 3mly s THR 116 Ca -0.18 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.20 3mly s THR 116 Cb -0.18 -1.29 0.01 0.00 0.01 0.00 0.00 72.50 71.05 3mly s THR 116 CO 0.09 0.42 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.01 3mly s LEU 117 N 0.71 2.07 -0.10 4.42 2.96 -1.26 -0.21 118.68 127.27 3mly s LEU 117 Ca -0.13 -0.58 -0.03 0.00 -0.22 0.00 0.00 54.13 53.17 3mly s LEU 117 Cb -0.16 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 3mly s LEU 117 CO 0.03 0.08 0.00 -0.36 -1.32 0.00 0.00 176.35 174.78 3mly s PHE 118 N 0.80 3.15 0.82 5.38 0.08 -0.04 -4.94 117.98 123.23 3mly s PHE 118 Ca -0.08 0.11 -0.12 0.00 0.12 0.00 0.00 56.93 56.96 3mly s PHE 118 Cb -0.16 -1.84 0.08 0.00 -0.57 0.00 0.00 43.02 40.54 3mly s PHE 118 CO -0.01 0.36 1.15 -1.25 -0.10 0.00 0.00 175.22 175.38 3mly s PRO 119 N -0.58 1.91 0.33 0.24 0.04 -1.26 -1.82 135.00 133.85 3mly s PRO 119 Ca 0.10 0.23 -0.28 0.00 0.04 0.00 0.00 61.00 61.08 3mly s PRO 119 Cb -0.12 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 32.37 3mly s PRO 119 CO 0.02 -1.66 1.34 -2.30 0.04 0.00 0.00 177.00 174.44 3mly n PRO 120 N -3.38 2.21 -2.27 0.56 -0.02 -1.17 -4.82 135.00 126.10 3mly n PRO 120 Ca 0.07 0.78 -0.33 0.00 -2.02 0.00 0.00 63.50 62.00 3mly n PRO 120 Cb 0.60 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.68 3mly n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3mly s SER 121 N -0.19 6.09 0.38 2.55 1.04 -1.26 -4.93 113.70 117.38 3mly s SER 121 Ca 0.57 1.83 0.08 0.00 0.48 0.00 0.00 55.95 58.90 3mly s SER 121 Cb -0.56 -2.54 0.81 0.00 0.10 0.00 0.00 66.02 63.83 3mly s SER 121 CO 0.60 -0.95 1.97 0.77 0.98 0.00 0.00 173.24 176.62 3mly h SER 122 N 0.91 0.58 -0.36 7.02 4.64 -1.99 -1.85 113.55 122.51 3mly h SER 122 Ca -0.48 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 3mly h SER 122 Cb 1.22 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 3mly h SER 122 CO 0.58 0.38 0.17 -0.33 -0.87 0.00 0.00 176.83 176.76 3mly h GLU 123 N 0.66 0.52 -0.61 4.77 3.07 -1.99 -1.49 114.58 119.51 3mly h GLU 123 Ca 0.29 -0.08 -0.06 0.00 -0.50 0.00 0.00 59.36 59.01 3mly h GLU 123 Cb 0.28 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 3mly h GLU 123 CO -0.09 0.48 0.15 1.49 -1.40 0.00 0.00 179.01 179.64 3mly h GLU 124 N 0.44 0.97 -0.43 2.33 4.81 -1.71 -2.29 114.58 118.70 3mly h GLU 124 Ca 0.12 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3mly h GLU 124 Cb 0.13 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3mly h GLU 124 CO -0.01 0.88 0.26 -0.07 -0.73 0.00 0.00 179.01 179.34 3mly h LEU 125 N 0.88 0.50 -1.63 1.64 3.38 -1.11 0.30 115.31 119.27 3mly h LEU 125 Ca 0.19 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3mly h LEU 125 Cb 0.34 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3mly h LEU 125 CO 0.00 0.39 -0.21 1.56 0.09 0.00 0.00 178.44 180.27 3mly h GLN 126 N 0.59 0.00 -0.47 1.13 4.20 -0.72 -1.69 115.11 118.14 3mly h GLN 126 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3mly h GLN 126 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 3mly h GLN 126 CO -0.03 0.21 0.00 0.00 -0.67 0.00 0.00 178.83 178.34 3mly n ALA 127 N -2.42 2.63 -2.49 3.87 0.00 0.05 -4.91 120.51 117.25 3mly n ALA 127 Ca -0.02 -0.72 -0.15 0.00 0.00 0.00 0.00 53.44 52.55 3mly n ALA 127 Cb 0.28 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.75 3mly n ALA 127 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3mly n ASN 128 N 0.51 -4.53 -4.23 0.00 5.15 -0.64 -5.02 115.26 106.50 3mly n ASN 128 Ca 0.13 -0.09 -0.13 0.00 -0.60 0.00 0.00 54.58 53.88 3mly n ASN 128 Cb 0.41 -3.57 -0.10 0.00 -0.53 0.00 0.00 39.78 36.00 3mly n ASN 128 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3mly s LYS 129 N -4.98 1.17 -0.16 1.20 -0.14 -0.94 -4.68 119.74 111.20 3mly s LYS 129 Ca 0.09 -1.59 -0.08 0.00 -1.36 0.00 0.00 55.97 53.03 3mly s LYS 129 Cb -0.04 -0.07 0.06 0.00 -1.68 0.00 0.00 37.83 36.10 3mly s LYS 129 CO 0.11 -0.25 0.37 0.00 -0.76 0.00 0.00 175.35 174.82 3mly s ALA 130 N -3.85 -0.93 -0.06 5.17 0.00 -1.07 -2.98 121.76 118.04 3mly s ALA 130 Ca 0.30 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.66 3mly s ALA 130 Cb 0.07 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.32 3mly s ALA 130 CO 0.07 -0.30 -0.04 0.99 0.00 0.00 0.00 175.76 176.49 3mly s THR 131 N 1.49 0.56 -0.13 0.00 2.01 -1.26 -1.28 115.64 117.03 3mly s THR 131 Ca -0.09 -0.09 -0.12 0.00 0.31 0.00 0.00 61.69 61.70 3mly s THR 131 Cb -0.09 -0.61 -0.05 0.00 0.01 0.00 0.00 72.50 71.76 3mly s THR 131 CO -0.12 0.25 0.24 -0.76 -0.69 0.00 0.00 174.62 173.55 3mly s LEU 132 N 1.20 4.32 -0.20 4.42 1.02 -0.28 -3.07 118.68 126.09 3mly s LEU 132 Ca -0.06 0.53 0.01 0.00 0.02 0.00 0.00 54.13 54.62 3mly s LEU 132 Cb -0.14 -2.28 0.02 0.00 0.02 0.00 0.00 46.19 43.81 3mly s LEU 132 CO -0.02 0.23 -0.17 -0.69 0.02 0.00 0.00 176.35 175.73 3mly s VAL 133 N -0.21 2.20 -0.28 -1.59 1.01 -0.76 -1.30 120.40 119.48 3mly s VAL 133 Ca 0.16 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 3mly s VAL 133 Cb -0.13 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.29 3mly s VAL 133 CO 0.05 0.44 0.01 0.00 0.00 0.00 0.00 175.10 175.60 3mly s LEU 135 N 1.37 3.84 -0.15 0.00 2.01 0.71 -0.88 118.68 125.59 3mly s LEU 135 Ca -0.00 0.11 0.00 0.00 0.01 0.00 0.00 54.13 54.25 3mly s LEU 135 Cb -0.18 -1.96 0.03 0.00 0.01 0.00 0.00 46.19 44.09 3mly s LEU 135 CO -0.01 0.20 -0.11 -0.63 1.01 0.00 0.00 176.35 176.81 3mly s ILE 136 N 0.22 1.38 0.08 -0.59 1.01 0.15 -1.27 121.20 122.17 3mly s ILE 136 Ca 0.04 -0.61 -0.00 0.00 0.00 0.00 0.00 60.65 60.09 3mly s ILE 136 Cb -0.12 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 3mly s ILE 136 CO 0.00 0.34 -0.03 -0.94 0.00 0.00 0.00 174.94 174.32 3mly s SER 137 N 1.55 0.66 -1.39 3.58 1.04 -0.21 -0.18 113.70 118.76 3mly s SER 137 Ca 0.03 -1.03 -0.05 0.00 0.48 0.00 0.00 55.95 55.38 3mly s SER 137 Cb -0.14 0.18 0.01 0.00 0.10 0.00 0.00 66.02 66.17 3mly s SER 137 CO -0.09 -0.58 0.66 0.47 0.98 0.00 0.00 173.24 174.68 3mly n ASP 138 N 0.04 -5.80 -4.78 7.02 8.00 -0.46 -0.78 116.55 119.78 3mly n ASP 138 Ca -0.12 -0.31 -0.31 0.00 0.71 0.00 0.00 54.79 54.76 3mly n ASP 138 Cb 0.61 -4.59 -0.06 0.00 -0.02 0.00 0.00 41.12 37.06 3mly n ASP 138 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3mly s PHE 139 N -3.16 3.21 -0.22 1.24 -0.71 -0.79 -4.51 117.98 113.04 3mly s PHE 139 Ca 0.33 0.09 -0.13 0.00 -1.04 0.00 0.00 56.93 56.18 3mly s PHE 139 Cb -0.14 -1.63 0.07 0.00 -1.21 0.00 0.00 43.02 40.10 3mly s PHE 139 CO 0.41 0.53 0.55 -0.47 -1.34 0.00 0.00 175.22 174.89 3mly s TYR 140 N -1.38 -0.81 0.89 3.49 5.04 -0.43 -0.51 117.35 123.63 3mly s TYR 140 Ca 0.29 1.69 -0.12 0.00 -2.44 0.00 0.00 57.07 56.49 3mly s TYR 140 Cb -0.12 0.43 0.09 0.00 0.35 0.00 0.00 41.96 42.70 3mly s TYR 140 CO 0.22 -0.42 0.92 -2.30 -1.34 0.00 0.00 175.55 172.62 3mly n PRO 141 N 4.14 -0.20 -1.70 4.97 -0.02 -1.26 -0.38 135.00 140.55 3mly n PRO 141 Ca -0.21 0.01 -0.41 0.00 -2.02 0.00 0.00 63.50 60.87 3mly n PRO 141 Cb 0.57 -2.21 -0.01 0.00 -0.02 0.00 0.00 33.50 31.82 3mly n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mly n GLY 142 N 0.77 4.55 3.22 -1.23 0.00 -1.26 -4.80 105.19 106.44 3mly n GLY 142 Ca 0.11 -1.71 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 3mly n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mly s ALA 143 N 1.61 -1.00 0.09 4.61 0.00 -1.26 -4.78 121.76 121.03 3mly s ALA 143 Ca 0.56 1.41 0.02 0.00 0.00 0.00 0.00 51.96 53.95 3mly s ALA 143 Cb 0.16 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 3mly s ALA 143 CO -0.07 -0.50 -0.06 0.14 0.00 0.00 0.00 175.76 175.27 3mly s VAL 144 N 1.99 0.65 -0.08 0.00 -7.23 -1.26 -4.67 120.40 109.80 3mly s VAL 144 Ca -0.05 -1.85 0.04 0.00 -1.81 0.00 0.00 61.98 58.31 3mly s VAL 144 Cb -0.10 -1.57 -0.01 0.00 0.56 0.00 0.00 36.38 35.25 3mly s VAL 144 CO -0.12 -0.83 -0.21 -0.89 -0.31 0.00 0.00 175.10 172.74 3mly s THR 145 N -3.43 2.41 -0.10 5.32 2.01 -0.76 -4.98 115.64 116.11 3mly s THR 145 Ca 0.09 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.19 3mly s THR 145 Cb 0.04 -1.92 -0.01 0.00 0.01 0.00 0.00 72.50 70.62 3mly s THR 145 CO -0.05 0.56 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.59 3mly s VAL 146 N -0.09 2.76 -0.01 3.82 1.01 -1.26 -0.69 120.40 125.94 3mly s VAL 146 Ca -0.04 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.20 3mly s VAL 146 Cb -0.14 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 3mly s VAL 146 CO 0.04 0.55 -0.15 0.00 0.00 0.00 0.00 175.10 175.54 3mly s ALA 147 N 0.09 1.23 0.05 5.51 0.00 -0.29 -5.00 121.76 123.35 3mly s ALA 147 Ca -0.07 -0.63 0.05 0.00 0.00 0.00 0.00 51.96 51.31 3mly s ALA 147 Cb -0.15 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 3mly s ALA 147 CO 0.05 0.29 -0.07 -1.58 0.00 0.00 0.00 175.76 174.45 3mly s TRP 148 N -0.31 2.84 -0.03 0.00 0.52 -1.26 -0.36 118.94 120.34 3mly s TRP 148 Ca 0.05 -0.08 0.05 0.00 0.02 0.00 0.00 56.10 56.14 3mly s TRP 148 Cb -0.06 -1.53 -0.01 0.00 -1.15 0.00 0.00 33.47 30.72 3mly s TRP 148 CO -0.00 0.40 -0.18 0.15 0.02 0.00 0.00 176.95 177.34 3mly s LYS 149 N -1.82 1.59 -0.29 4.98 -0.14 -0.41 -1.26 119.74 122.40 3mly s LYS 149 Ca 0.20 -0.63 -0.08 0.00 -1.36 0.00 0.00 55.97 54.10 3mly s LYS 149 Cb -0.11 -1.47 -0.01 0.00 -1.68 0.00 0.00 37.83 34.56 3mly s LYS 149 CO 0.11 0.33 0.10 0.00 -0.76 0.00 0.00 175.35 175.13 3mly s ALA 150 N -0.23 3.16 0.00 5.17 0.00 0.45 -0.97 121.76 129.34 3mly s ALA 150 Ca 0.02 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.64 3mly s ALA 150 Cb -0.09 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.83 3mly s ALA 150 CO 0.00 -0.80 0.00 -0.25 0.00 0.00 0.00 175.76 174.71 3mly n ASP 151 N 4.92 0.00 -0.69 0.00 8.00 0.37 -1.24 116.55 127.91 3mly n ASP 151 Ca -0.15 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.42 3mly n ASP 151 Cb 0.49 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.73 3mly n ASP 151 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3mly n SER 152 N 6.76 2.76 -4.84 -2.24 3.41 -1.26 -4.77 113.62 113.44 3mly n SER 152 Ca 0.00 -1.84 -0.36 0.00 -0.26 0.00 0.00 58.87 56.41 3mly n SER 152 Cb 0.00 -0.18 -0.06 0.00 -0.26 0.00 0.00 64.21 63.71 3mly n SER 152 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3mly s SER 153 N -1.05 6.84 0.32 4.04 0.01 -0.38 -5.05 113.70 118.45 3mly s SER 153 Ca 0.24 1.07 -0.28 0.00 1.31 0.00 0.00 55.95 58.28 3mly s SER 153 Cb 0.13 -2.28 -0.09 0.00 0.21 0.00 0.00 66.02 63.99 3mly s SER 153 CO 0.18 0.16 1.14 -2.16 0.41 0.00 0.00 173.24 172.98 3mly s PRO 154 N -1.71 4.43 -0.14 12.44 0.04 -1.26 -0.41 135.00 148.39 3mly s PRO 154 Ca 0.34 1.86 0.03 0.00 0.04 0.00 0.00 61.00 63.27 3mly s PRO 154 Cb -0.16 -3.01 0.01 0.00 0.04 0.00 0.00 34.50 31.38 3mly s PRO 154 CO 0.18 0.01 -0.22 0.54 0.04 0.00 0.00 177.00 177.55 3mly s VAL 155 N -1.25 2.04 -0.13 -0.36 0.11 -0.39 -4.78 120.40 115.64 3mly s VAL 155 Ca 0.49 -0.97 0.08 0.00 -2.93 0.00 0.00 61.98 58.65 3mly s VAL 155 Cb -0.32 -1.80 -0.13 0.00 -1.53 0.00 0.00 36.38 32.59 3mly s VAL 155 CO 0.41 0.55 -0.01 0.54 -3.33 0.00 0.00 175.10 173.26 3mly n ARG 156 N 4.04 1.58 -2.20 1.54 1.74 -1.26 -4.26 116.66 117.84 3mly n ARG 156 Ca -0.20 0.02 -0.41 0.00 -0.77 0.00 0.00 57.85 56.49 3mly n ARG 156 Cb 0.52 -1.31 -0.03 0.00 -1.02 0.00 0.00 32.46 30.62 3mly n ARG 156 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mly s ALA 157 N -2.29 3.50 0.00 7.54 0.00 -1.26 -3.30 121.76 125.95 3mly s ALA 157 Ca -0.10 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.01 3mly s ALA 157 Cb 0.04 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3mly s ALA 157 CO 0.45 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.09 3mly n GLY 158 N 1.49 0.73 3.78 0.00 0.00 -1.26 -4.85 105.19 105.08 3mly n GLY 158 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3mly n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mly s VAL 159 N -2.16 5.41 -0.05 1.61 1.01 -1.21 -0.95 120.40 124.07 3mly s VAL 159 Ca 0.00 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.26 3mly s VAL 159 Cb 0.00 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.92 3mly s VAL 159 CO 0.00 0.49 -0.06 -1.61 0.00 0.00 0.00 175.10 173.92 3mly s GLU 160 N -0.11 1.03 -0.05 2.72 0.41 -0.48 -5.00 118.70 117.23 3mly s GLU 160 Ca 0.12 -0.17 0.04 0.00 -0.41 0.00 0.00 54.97 54.54 3mly s GLU 160 Cb -0.12 -0.98 -0.00 0.00 -1.78 0.00 0.00 34.13 31.25 3mly s GLU 160 CO 0.01 -0.06 -0.18 0.99 -0.49 0.00 0.00 175.26 175.53 3mly s THR 161 N 0.89 1.48 0.69 3.63 2.01 -1.26 -0.45 115.64 122.63 3mly s THR 161 Ca -0.11 -0.73 -0.11 0.00 0.31 0.00 0.00 61.69 61.04 3mly s THR 161 Cb -0.15 -1.28 0.00 0.00 0.01 0.00 0.00 72.50 71.08 3mly s THR 161 CO 0.01 0.43 1.07 0.42 -0.69 0.00 0.00 174.62 175.86 3mly s THR 162 N 0.15 3.90 0.83 -0.82 -4.23 0.02 -5.01 115.64 110.48 3mly s THR 162 Ca -0.07 0.62 -0.11 0.00 -1.18 0.00 0.00 61.69 60.95 3mly s THR 162 Cb -0.13 -3.55 0.10 0.00 1.34 0.00 0.00 72.50 70.25 3mly s THR 162 CO 0.03 -0.81 1.12 0.42 -0.54 0.00 0.00 174.62 174.85 3mly s THR 163 N -3.24 2.68 0.36 3.99 -4.23 -1.26 -4.65 115.64 109.28 3mly s THR 163 Ca 0.57 0.23 -0.26 0.00 -1.18 0.00 0.00 61.69 61.05 3mly s THR 163 Cb -0.12 -2.50 -0.09 0.00 1.34 0.00 0.00 72.50 71.13 3mly s THR 163 CO 0.53 -0.28 1.06 -2.16 -0.54 0.00 0.00 174.62 173.24 3mly s PRO 164 N -4.71 4.34 -0.04 3.99 0.04 -1.26 -4.68 135.00 132.68 3mly s PRO 164 Ca 0.65 1.61 0.05 0.00 0.04 0.00 0.00 61.00 63.34 3mly s PRO 164 Cb -0.21 -2.78 -0.01 0.00 0.04 0.00 0.00 34.50 31.55 3mly s PRO 164 CO 0.56 -0.01 -0.18 -1.54 0.04 0.00 0.00 177.00 175.87 3mly s SER 165 N -1.33 2.25 -0.02 6.66 1.04 0.17 -4.92 113.70 117.55 3mly s SER 165 Ca 0.53 -0.36 -0.30 0.00 0.48 0.00 0.00 55.95 56.29 3mly s SER 165 Cb -0.25 -0.54 -0.06 0.00 0.10 0.00 0.00 66.02 65.27 3mly s SER 165 CO 0.32 0.18 1.56 -0.75 0.98 0.00 0.00 173.24 175.53 3mly s LYS 166 N -0.09 4.21 0.82 4.02 2.20 -1.26 -1.27 119.74 128.38 3mly s LYS 166 Ca -0.01 2.13 -0.12 0.00 -0.36 0.00 0.00 55.97 57.61 3mly s LYS 166 Cb -0.11 -3.78 0.10 0.00 -1.51 0.00 0.00 37.83 32.53 3mly s LYS 166 CO 0.02 -0.74 1.18 -0.65 -0.36 0.00 0.00 175.35 174.80 3mly s GLN 167 N 3.26 1.78 0.32 4.03 -0.21 0.41 -4.95 119.66 124.30 3mly s GLN 167 Ca 0.70 -0.03 0.07 0.00 0.02 0.00 0.00 55.36 56.13 3mly s GLN 167 Cb -0.34 -1.96 0.55 0.00 1.00 0.00 0.00 33.01 32.26 3mly s GLN 167 CO 0.28 -1.68 1.77 0.66 -2.12 0.00 0.00 175.29 174.20 3mly h SER 168 N -1.09 0.25 0.00 5.90 4.64 -1.95 -2.19 113.55 119.11 3mly h SER 168 Ca -0.45 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 3mly h SER 168 Cb 1.31 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3mly h SER 168 CO 0.61 0.56 0.00 -0.46 -0.87 0.00 0.00 176.83 176.67 3mly n ASN 169 N -4.10 0.00 0.00 4.97 2.04 -1.26 -4.85 115.26 112.06 3mly n ASN 169 Ca -0.01 -1.72 0.00 0.00 -0.44 0.00 0.00 54.58 52.41 3mly n ASN 169 Cb 0.41 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.66 3mly n ASN 169 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3mly n ASN 170 N -0.52 0.00 -2.54 0.53 3.02 -0.82 -5.01 115.26 109.92 3mly n ASN 170 Ca 0.01 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.52 3mly n ASN 170 Cb 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 3mly n ASN 170 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3mly n LYS 171 N -2.00 0.80 -4.35 3.52 5.02 -1.26 -4.77 118.16 115.12 3mly n LYS 171 Ca 0.00 -0.57 -0.20 0.00 -2.02 0.00 0.00 58.31 55.52 3mly n LYS 171 Cb 0.00 -0.07 -0.10 0.00 -0.02 0.00 0.00 35.03 34.84 3mly n LYS 171 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3mly s TYR 172 N 0.12 1.80 0.05 2.13 1.51 0.33 0.15 117.35 123.46 3mly s TYR 172 Ca 0.12 -0.51 0.03 0.00 -1.01 0.00 0.00 57.07 55.70 3mly s TYR 172 Cb -0.01 -0.86 -0.03 0.00 -0.11 0.00 0.00 41.96 40.96 3mly s TYR 172 CO 0.08 0.38 -0.10 0.00 -1.11 0.00 0.00 175.55 174.80 3mly s ALA 173 N -2.55 0.79 0.24 3.71 0.00 -0.40 -1.35 121.76 122.20 3mly s ALA 173 Ca 0.20 -0.87 -0.10 0.00 0.00 0.00 0.00 51.96 51.19 3mly s ALA 173 Cb -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 3mly s ALA 173 CO 0.07 0.03 0.40 0.00 0.00 0.00 0.00 175.76 176.27 3mly s ALA 174 N -1.44 0.05 0.05 0.00 0.00 0.75 -0.66 121.76 120.52 3mly s ALA 174 Ca -0.06 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 50.80 3mly s ALA 174 Cb -0.09 1.13 -0.01 0.00 0.00 0.00 0.00 23.12 24.14 3mly s ALA 174 CO 0.01 -0.80 0.09 -1.54 0.00 0.00 0.00 175.76 173.52 3mly s SER 175 N -3.05 0.23 -0.01 0.00 1.04 -1.26 -0.68 113.70 109.98 3mly s SER 175 Ca 0.26 -0.64 0.02 0.00 0.48 0.00 0.00 55.95 56.07 3mly s SER 175 Cb 0.01 0.24 -0.00 0.00 0.10 0.00 0.00 66.02 66.36 3mly s SER 175 CO 0.09 -0.56 -0.05 -0.55 0.98 0.00 0.00 173.24 173.15 3mly s SER 176 N -2.38 0.66 -0.07 7.02 0.15 -0.06 -0.80 113.70 118.22 3mly s SER 176 Ca -0.01 -0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.58 3mly s SER 176 Cb 0.01 -0.08 -0.00 0.00 -1.71 0.00 0.00 66.02 64.24 3mly s SER 176 CO -0.07 0.06 -0.21 -0.31 1.20 0.00 0.00 173.24 173.92 3mly s TYR 177 N -0.10 2.18 -0.27 3.44 1.51 0.40 -0.50 117.35 124.02 3mly s TYR 177 Ca 0.02 -0.77 -0.02 0.00 -1.01 0.00 0.00 57.07 55.29 3mly s TYR 177 Cb -0.03 -1.47 0.03 0.00 -0.11 0.00 0.00 41.96 40.39 3mly s TYR 177 CO -0.00 -0.29 -0.04 -1.17 -1.11 0.00 0.00 175.55 172.94 3mly s LEU 178 N 0.18 3.45 -0.15 -1.29 0.20 -0.42 -1.38 118.68 119.27 3mly s LEU 178 Ca -0.11 -1.01 -0.19 0.00 0.69 0.00 0.00 54.13 53.51 3mly s LEU 178 Cb -0.15 -1.68 -0.04 0.00 -0.43 0.00 0.00 46.19 43.89 3mly s LEU 178 CO 0.05 -0.17 0.53 -0.44 -0.29 0.00 0.00 176.35 176.03 3mly s SER 179 N 1.30 6.67 0.17 3.68 0.01 -0.12 -1.13 113.70 124.28 3mly s SER 179 Ca -0.02 0.81 0.03 0.00 1.31 0.00 0.00 55.95 58.08 3mly s SER 179 Cb -0.18 -2.31 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 3mly s SER 179 CO -0.03 -0.11 -0.04 -0.76 0.41 0.00 0.00 173.24 172.70 3mly s LEU 180 N 1.17 2.32 0.55 2.44 1.43 -0.41 -4.64 118.68 121.54 3mly s LEU 180 Ca 0.27 -1.11 -0.14 0.00 -1.03 0.00 0.00 54.13 52.12 3mly s LEU 180 Cb -0.16 -0.22 -0.06 0.00 0.03 0.00 0.00 46.19 45.79 3mly s LEU 180 CO 0.11 -0.46 0.99 0.42 0.23 0.00 0.00 176.35 177.64 3mly s THR 181 N -3.48 4.61 0.43 5.49 -4.23 -1.26 -2.60 115.64 114.61 3mly s THR 181 Ca 0.21 1.05 0.13 0.00 -1.18 0.00 0.00 61.69 61.91 3mly s THR 181 Cb 0.05 -3.78 0.32 0.00 1.34 0.00 0.00 72.50 70.43 3mly s THR 181 CO 0.03 -0.85 1.98 -0.65 -0.54 0.00 0.00 174.62 174.60 3mly h PRO 182 N 0.48 0.40 -0.45 3.99 0.11 -1.83 -1.77 132.00 132.94 3mly h PRO 182 Ca -0.46 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 3mly h PRO 182 Cb 1.19 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3mly h PRO 182 CO 0.62 0.27 0.17 0.93 -0.21 0.00 0.00 178.00 179.78 3mly h GLU 183 N 0.42 0.67 -0.19 1.05 3.07 -1.98 -0.16 114.58 117.46 3mly h GLU 183 Ca 0.27 -0.13 0.02 0.00 -0.50 0.00 0.00 59.36 59.02 3mly h GLU 183 Cb 0.51 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 3mly h GLU 183 CO -0.07 0.62 0.08 1.96 -1.40 0.00 0.00 179.01 180.20 3mly h GLN 184 N 0.58 0.18 -0.80 2.33 4.20 -1.81 0.16 115.11 119.95 3mly h GLN 184 Ca 0.15 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.91 3mly h GLN 184 Cb 0.21 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.89 3mly h GLN 184 CO -0.01 0.12 0.48 2.35 -0.67 0.00 0.00 178.83 181.10 3mly h TRP 185 N 0.18 0.89 0.00 2.96 2.91 -1.09 -2.25 115.95 119.55 3mly h TRP 185 Ca 0.08 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.13 3mly h TRP 185 Cb 0.04 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 28.40 3mly h TRP 185 CO -0.11 0.45 -0.15 0.87 -1.03 0.00 0.00 178.44 178.47 3mly h LYS 186 N 0.89 0.00 0.00 2.65 1.57 -0.67 -3.29 116.57 117.73 3mly h LYS 186 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3mly h LYS 186 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3mly h LYS 186 CO -0.17 0.00 0.00 0.77 -0.57 0.00 0.00 179.45 179.48 3mly h SER 187 N 0.00 0.00 -2.22 0.86 0.02 -0.05 -3.46 113.55 108.71 3mly h SER 187 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 3mly h SER 187 Cb 0.86 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.32 3mly h SER 187 CO 0.00 0.00 -0.61 -1.00 -1.14 0.00 0.00 176.83 174.08 3mly s HIS 188 N -3.19 2.83 0.14 3.45 3.76 -1.21 -5.03 115.29 116.04 3mly s HIS 188 Ca 0.08 -0.18 -0.04 0.00 -0.15 0.00 0.00 55.06 54.77 3mly s HIS 188 Cb 0.10 -1.26 -0.06 0.00 1.11 0.00 0.00 32.58 32.47 3mly s HIS 188 CO 0.57 0.59 1.34 -0.09 -0.85 0.00 0.00 174.74 176.30 3mly h ARG 189 N 1.78 0.44 -3.06 1.40 2.43 -1.88 -3.44 114.38 112.05 3mly h ARG 189 Ca -0.46 -0.43 -0.01 0.00 -0.81 0.00 0.00 59.98 58.27 3mly h ARG 189 Cb 1.25 0.11 -0.11 0.00 -0.42 0.00 0.00 29.97 30.80 3mly h ARG 189 CO 0.60 1.08 0.18 -1.54 -1.51 0.00 0.00 179.97 178.78 3mly s SER 190 N -7.06 -0.46 0.11 -3.80 1.04 -1.26 -4.35 113.70 97.92 3mly s SER 190 Ca -0.06 -0.17 0.08 0.00 0.48 0.00 0.00 55.95 56.27 3mly s SER 190 Cb 0.09 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.79 3mly s SER 190 CO 0.86 -1.03 -0.19 -0.31 0.98 0.00 0.00 173.24 173.55 3mly s TYR 191 N -3.79 1.68 0.03 5.02 1.51 -0.29 -0.48 117.35 121.03 3mly s TYR 191 Ca 0.04 -0.45 0.04 0.00 -1.01 0.00 0.00 57.07 55.69 3mly s TYR 191 Cb -0.02 -0.90 -0.02 0.00 -0.11 0.00 0.00 41.96 40.91 3mly s TYR 191 CO -0.09 0.20 -0.12 -1.12 -1.11 0.00 0.00 175.55 173.32 3mly s SER 192 N -2.10 1.39 -0.22 2.29 0.01 -0.14 -1.20 113.70 113.73 3mly s SER 192 Ca 0.07 -0.43 -0.04 0.00 1.31 0.00 0.00 55.95 56.86 3mly s SER 192 Cb -0.09 -0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.06 3mly s SER 192 CO 0.04 -0.01 -0.02 0.00 0.41 0.00 0.00 173.24 173.66 3mly s GLN 194 N 1.48 3.11 -0.22 0.00 -0.21 0.51 -1.46 119.66 122.88 3mly s GLN 194 Ca 0.06 -0.80 -0.05 0.00 0.02 0.00 0.00 55.36 54.59 3mly s GLN 194 Cb -0.14 -3.01 -0.02 0.00 1.00 0.00 0.00 33.01 30.84 3mly s GLN 194 CO -0.02 -0.30 -0.00 0.08 -2.12 0.00 0.00 175.29 172.93 3mly s VAL 195 N 1.41 3.76 -0.17 1.09 1.01 0.14 -1.14 120.40 126.49 3mly s VAL 195 Ca 0.03 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 3mly s VAL 195 Cb -0.15 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 3mly s VAL 195 CO -0.04 0.40 0.08 -0.89 0.00 0.00 0.00 175.10 174.65 3mly s THR 196 N 1.41 4.94 -0.12 3.92 2.01 0.13 0.30 115.64 128.23 3mly s THR 196 Ca 0.05 0.02 -0.05 0.00 0.31 0.00 0.00 61.69 62.02 3mly s THR 196 Cb -0.15 -3.21 0.06 0.00 0.01 0.00 0.00 72.50 69.21 3mly s THR 196 CO -0.00 0.49 0.25 -2.28 -0.69 0.00 0.00 174.62 172.38 3mly s HIS 197 N 0.10 -0.37 -1.42 4.92 5.04 0.89 -1.83 115.29 122.63 3mly s HIS 197 Ca 0.06 0.88 -0.02 0.00 -1.54 0.00 0.00 55.06 54.44 3mly s HIS 197 Cb -0.12 -0.04 0.02 0.00 0.04 0.00 0.00 32.58 32.48 3mly s HIS 197 CO 0.00 -0.31 0.51 0.39 -2.34 0.00 0.00 174.74 172.99 3mly n GLU 198 N 5.05 -3.62 0.00 2.88 -0.58 -1.26 -1.23 120.64 121.87 3mly n GLU 198 Ca -0.11 0.44 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 3mly n GLU 198 Cb 0.51 -4.71 0.00 0.00 -0.57 0.00 0.00 31.44 26.67 3mly n GLU 198 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mly n GLY 199 N -1.87 2.60 3.75 0.62 0.00 -1.26 -4.98 105.19 104.04 3mly n GLY 199 Ca -0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 3mly n GLY 199 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mly s SER 200 N -3.23 5.49 -0.12 1.61 0.01 -0.37 -5.11 113.70 111.99 3mly s SER 200 Ca 0.00 0.08 -0.00 0.00 1.31 0.00 0.00 55.95 57.34 3mly s SER 200 Cb 0.00 -1.52 -0.02 0.00 0.21 0.00 0.00 66.02 64.69 3mly s SER 200 CO 0.00 0.26 -0.12 -0.89 0.41 0.00 0.00 173.24 172.91 3mly s THR 201 N -1.18 3.21 -0.14 1.44 2.01 -1.26 -0.07 115.64 119.64 3mly s THR 201 Ca 0.22 -0.62 -0.02 0.00 0.31 0.00 0.00 61.69 61.59 3mly s THR 201 Cb -0.12 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 3mly s THR 201 CO 0.14 0.53 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.82 3mly s VAL 202 N 0.12 3.42 -0.01 3.82 1.01 0.15 -4.94 120.40 123.97 3mly s VAL 202 Ca -0.05 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.46 3mly s VAL 202 Cb -0.15 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 3mly s VAL 202 CO 0.04 0.51 -0.18 -0.70 0.00 0.00 0.00 175.10 174.77 3mly s GLU 203 N 0.37 1.47 0.09 2.72 2.12 -1.26 0.24 118.70 124.45 3mly s GLU 203 Ca -0.08 -0.66 0.07 0.00 0.36 0.00 0.00 54.97 54.65 3mly s GLU 203 Cb -0.15 -1.43 -0.03 0.00 0.26 0.00 0.00 34.13 32.78 3mly s GLU 203 CO 0.04 0.39 -0.18 0.15 -0.54 0.00 0.00 175.26 175.13 3mly s LYS 204 N -0.46 0.98 0.00 4.30 -0.14 -0.53 -5.01 119.74 118.88 3mly s LYS 204 Ca 0.07 -1.05 0.03 0.00 -1.36 0.00 0.00 55.97 53.66 3mly s LYS 204 Cb -0.07 -1.11 -0.01 0.00 -1.68 0.00 0.00 37.83 34.96 3mly s LYS 204 CO -0.01 0.25 -0.09 0.99 -0.76 0.00 0.00 175.35 175.73 3mly s THR 205 N -1.21 0.74 0.09 2.17 2.01 -1.26 -0.84 115.64 117.35 3mly s THR 205 Ca 0.02 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.55 3mly s THR 205 Cb -0.10 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 3mly s THR 205 CO 0.03 0.14 -0.08 0.68 -0.69 0.00 0.00 174.62 174.71 3mly s VAL 206 N -0.35 0.76 0.05 3.82 -7.23 -0.34 -5.00 120.40 112.11 3mly s VAL 206 Ca 0.02 -1.72 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 3mly s VAL 206 Cb -0.04 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.44 3mly s VAL 206 CO -0.00 -0.70 -0.05 0.00 -0.31 0.00 0.00 175.10 174.03 3mly s ALA 207 N -2.91 0.53 0.60 1.32 0.00 -1.26 -1.13 121.76 118.90 3mly s ALA 207 Ca 0.07 -0.92 -0.19 0.00 0.00 0.00 0.00 51.96 50.92 3mly s ALA 207 Cb 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 3mly s ALA 207 CO -0.02 -0.16 1.22 -2.30 0.00 0.00 0.00 175.76 174.49 3mly n PRO 208 N 0.95 1.22 0.00 0.00 -0.02 -1.26 -4.47 135.00 131.42 3mly n PRO 208 Ca -0.19 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3mly n PRO 208 Cb 0.57 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3mly n PRO 208 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3mly n THR 209 N -1.59 0.00 0.00 3.45 -1.04 -1.26 -4.88 114.28 108.96 3mly n THR 209 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 3mly n THR 209 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 3mly n THR 209 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3mly n GLU 210 N 0.00 0.00 -0.66 -2.82 2.13 -1.26 -5.17 120.64 112.86 3mly n GLU 210 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3mly n GLU 210 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3mly n GLU 210 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72