#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdm s LEU 4 N 0.00 1.86 -0.17 0.00 1.43 -1.24 -4.80 118.68 115.76 3kdm s LEU 4 Ca 0.00 -0.49 -0.19 0.00 -1.03 0.00 0.00 54.13 52.42 3kdm s LEU 4 Cb 0.00 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 3kdm s LEU 4 CO 0.00 0.04 0.53 -0.89 0.23 0.00 0.00 176.35 176.26 3kdm s THR 5 N 0.89 5.12 0.12 5.49 2.01 0.05 -1.92 115.64 127.40 3kdm s THR 5 Ca -0.08 1.00 0.10 0.00 0.31 0.00 0.00 61.69 63.03 3kdm s THR 5 Cb -0.15 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 3kdm s THR 5 CO -0.01 0.21 -0.25 -1.10 -0.69 0.00 0.00 174.62 172.78 3kdm s GLN 6 N 1.37 1.33 0.57 4.92 -0.21 -1.26 -0.93 119.66 125.45 3kdm s GLN 6 Ca 0.26 -1.28 -0.21 0.00 0.02 0.00 0.00 55.36 54.15 3kdm s GLN 6 Cb -0.15 -1.74 -0.04 0.00 1.00 0.00 0.00 33.01 32.07 3kdm s GLN 6 CO 0.10 0.41 1.32 -1.25 -2.12 0.00 0.00 175.29 173.76 3kdm s PRO 7 N -1.97 2.99 0.25 2.91 0.04 -1.26 -4.78 135.00 133.18 3kdm s PRO 7 Ca 0.12 2.15 0.06 0.00 0.04 0.00 0.00 61.00 63.36 3kdm s PRO 7 Cb -0.10 -2.13 0.29 0.00 0.04 0.00 0.00 34.50 32.61 3kdm s PRO 7 CO 0.05 -1.28 1.59 0.00 0.04 0.00 0.00 177.00 177.39 3kdm h ALA 8 N 1.19 0.90 -2.54 8.56 0.00 -1.95 -3.35 119.26 122.06 3kdm h ALA 8 Ca -0.51 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 53.78 3kdm h ALA 8 Cb 1.31 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.86 3kdm h ALA 8 CO 0.56 0.72 -0.35 -1.54 0.00 0.00 0.00 179.25 178.64 3kdm s SER 9 N -6.89 0.05 0.03 0.00 1.04 -1.26 -0.61 113.70 106.06 3kdm s SER 9 Ca -0.04 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 55.90 3kdm s SER 9 Cb 0.12 0.33 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 3kdm s SER 9 CO 0.79 -0.67 -0.04 0.68 0.98 0.00 0.00 173.24 174.98 3kdm s VAL 10 N -3.30 0.24 0.06 5.02 -7.23 -0.68 -4.91 120.40 109.61 3kdm s VAL 10 Ca 0.01 -1.03 0.07 0.00 -1.81 0.00 0.00 61.98 59.22 3kdm s VAL 10 Cb 0.02 -0.45 -0.03 0.00 0.56 0.00 0.00 36.38 36.48 3kdm s VAL 10 CO -0.08 -0.50 -0.19 -0.44 -0.31 0.00 0.00 175.10 173.58 3kdm s SER 11 N -1.61 2.24 -0.15 4.85 0.01 -1.26 -0.67 113.70 117.11 3kdm s SER 11 Ca -0.13 -0.56 -0.12 0.00 1.31 0.00 0.00 55.95 56.45 3kdm s SER 11 Cb -0.09 -0.15 0.04 0.00 0.21 0.00 0.00 66.02 66.04 3kdm s SER 11 CO -0.01 0.08 0.40 -0.83 0.41 0.00 0.00 173.24 173.29 3kdm s GLY 12 N -1.43 -0.30 0.47 3.44 0.00 -0.72 -4.96 107.32 103.82 3kdm s GLY 12 Ca 0.05 1.24 -0.23 0.00 0.00 0.00 0.00 44.72 45.78 3kdm s GLY 12 CO 0.02 1.19 1.17 -0.56 0.00 0.00 0.00 173.10 174.92 3kdm s SER 13 N 0.59 6.10 0.61 1.64 0.01 -1.26 -0.51 113.70 120.88 3kdm s SER 13 Ca -0.03 2.31 -0.18 0.00 1.31 0.00 0.00 55.95 59.35 3kdm s SER 13 Cb -0.05 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 3kdm s SER 13 CO -0.04 -0.96 1.03 -2.65 0.41 0.00 0.00 173.24 171.04 3kdm n PRO 14 N -0.57 0.95 0.00 12.44 -0.02 -1.26 -2.13 135.00 144.42 3kdm n PRO 14 Ca 0.08 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3kdm n PRO 14 Cb 0.48 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3kdm n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kdm n GLY 15 N 1.21 2.82 3.80 -1.23 0.00 0.79 -4.90 105.19 107.68 3kdm n GLY 15 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3kdm n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kdm s GLN 16 N -0.08 1.75 -0.05 1.61 -0.21 -0.90 -3.33 119.66 118.45 3kdm s GLN 16 Ca 0.00 0.53 -0.10 0.00 0.02 0.00 0.00 55.36 55.81 3kdm s GLN 16 Cb 0.00 -1.89 -0.05 0.00 1.00 0.00 0.00 33.01 32.07 3kdm s GLN 16 CO 0.00 -1.83 0.27 -1.12 -2.12 0.00 0.00 175.29 170.49 3kdm s SER 17 N -3.93 6.58 0.09 5.90 0.01 -1.25 -1.82 113.70 119.28 3kdm s SER 17 Ca 0.62 0.69 0.03 0.00 1.31 0.00 0.00 55.95 58.60 3kdm s SER 17 Cb -0.15 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 3kdm s SER 17 CO 0.54 0.35 -0.09 0.27 0.41 0.00 0.00 173.24 174.72 3kdm s ILE 18 N -1.09 0.83 0.04 1.44 -4.36 -0.26 -4.99 121.20 112.82 3kdm s ILE 18 Ca 0.20 -1.63 0.08 0.00 -0.26 0.00 0.00 60.65 59.04 3kdm s ILE 18 Cb -0.14 -1.33 -0.03 0.00 1.25 0.00 0.00 42.46 42.21 3kdm s ILE 18 CO 0.09 -0.61 -0.22 -0.89 0.24 0.00 0.00 174.94 173.56 3kdm s THR 19 N -2.57 1.78 -0.12 8.37 2.01 -1.26 -1.26 115.64 122.58 3kdm s THR 19 Ca 0.05 -1.24 0.02 0.00 0.31 0.00 0.00 61.69 60.82 3kdm s THR 19 Cb -0.02 -1.54 0.01 0.00 0.01 0.00 0.00 72.50 70.97 3kdm s THR 19 CO -0.01 0.24 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.37 3kdm s ILE 20 N -0.80 1.63 0.41 1.82 1.01 -0.30 -4.98 121.20 119.99 3kdm s ILE 20 Ca 0.08 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 3kdm s ILE 20 Cb -0.09 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 3kdm s ILE 20 CO 0.02 0.47 0.67 -0.94 0.00 0.00 0.00 174.94 175.15 3kdm s SER 21 N 0.98 6.29 -0.30 3.58 1.04 -1.26 -1.49 113.70 122.54 3kdm s SER 21 Ca -0.06 0.70 0.02 0.00 0.48 0.00 0.00 55.95 57.09 3kdm s SER 21 Cb -0.15 -2.15 0.15 0.00 0.10 0.00 0.00 66.02 63.98 3kdm s SER 21 CO -0.02 -0.43 0.38 0.00 0.98 0.00 0.00 173.24 174.14 3kdm s THR 23 N 2.40 4.55 0.00 0.00 2.01 -0.11 -0.16 115.64 124.33 3kdm s THR 23 Ca 0.10 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.00 3kdm s THR 23 Cb -0.13 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.28 3kdm s THR 23 CO -0.29 0.38 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 3kdm n GLY 24 N 4.38 4.84 3.02 4.40 0.00 0.61 -0.77 105.19 121.67 3kdm n GLY 24 Ca -0.16 -1.37 -0.16 0.00 0.00 0.00 0.00 46.02 44.33 3kdm n GLY 24 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kdm n THR 25 N 0.00 0.00 0.31 2.61 -2.24 -1.26 -4.87 114.28 108.83 3kdm n THR 25 Ca 0.00 -1.95 0.21 0.00 -2.27 0.00 0.00 64.05 60.04 3kdm n THR 25 Cb 0.00 1.07 1.10 0.00 -2.10 0.00 0.00 70.33 70.40 3kdm n THR 25 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3kdm h SER 26 N 1.85 0.00 -0.33 3.42 4.64 -1.94 0.48 113.55 121.67 3kdm h SER 26 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3kdm h SER 26 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3kdm h SER 26 CO 0.33 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.09 3kdm n SER 27 N -2.95 2.81 0.00 4.97 7.64 -1.26 -2.35 113.62 122.48 3kdm n SER 27 Ca -0.03 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 57.95 3kdm n SER 27 Cb 0.08 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 3kdm n SER 27 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3kdm n ASP 28 N 1.07 0.00 -0.14 6.43 5.68 -0.68 -1.10 116.55 127.81 3kdm n ASP 28 Ca 0.18 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.43 3kdm n ASP 28 Cb 0.50 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.52 3kdm n ASP 28 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 3kdm h VAL 29 N 0.00 0.72 -0.10 2.12 2.07 -1.78 -2.15 116.25 117.14 3kdm h VAL 29 Ca 0.00 -0.06 -0.13 0.00 0.82 0.00 0.00 66.70 67.33 3kdm h VAL 29 Cb 0.00 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3kdm h VAL 29 CO 0.00 0.03 -0.52 1.23 0.02 0.00 0.00 177.57 178.33 3kdm h GLY 30 N 0.17 0.29 0.44 2.17 0.00 -1.11 -3.28 103.07 101.75 3kdm h GLY 30 Ca 0.22 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3kdm h GLY 30 CO -0.32 0.29 -1.19 0.61 0.00 0.00 0.00 176.54 175.93 3kdm n GLY 31 N 0.08 -1.16 3.12 4.60 0.00 -0.99 -4.85 105.19 105.99 3kdm n GLY 31 Ca -0.02 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 3kdm n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kdm s TYR 32 N -3.24 0.76 -0.71 1.61 1.51 -0.82 -5.00 117.35 111.46 3kdm s TYR 32 Ca 0.02 -0.79 -0.01 0.00 -1.01 0.00 0.00 57.07 55.27 3kdm s TYR 32 Cb 0.14 -0.45 0.41 0.00 -0.11 0.00 0.00 41.96 41.95 3kdm s TYR 32 CO 0.83 -0.16 1.97 0.09 -1.11 0.00 0.00 175.55 177.17 3kdm n ASN 33 N 0.50 7.45 -2.58 2.29 3.02 -1.26 -4.65 115.26 120.03 3kdm n ASN 33 Ca -0.16 -3.80 -0.28 0.00 -0.03 0.00 0.00 54.58 50.30 3kdm n ASN 33 Cb 0.59 -0.97 -0.00 0.00 -0.61 0.00 0.00 39.78 38.79 3kdm n ASN 33 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3kdm n TYR 34 N -0.76 3.44 -3.29 3.10 0.53 -1.26 -4.08 117.16 114.83 3kdm n TYR 34 Ca 0.58 -3.13 -0.39 0.00 -1.02 0.00 0.00 57.90 53.94 3kdm n TYR 34 Cb 0.52 -0.24 -0.08 0.00 -1.03 0.00 0.00 39.34 38.51 3kdm n TYR 34 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3kdm s VAL 35 N -5.38 5.12 0.25 -0.72 1.01 -1.26 -2.74 120.40 116.68 3kdm s VAL 35 Ca 0.48 0.79 0.10 0.00 0.00 0.00 0.00 61.98 63.36 3kdm s VAL 35 Cb 0.39 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 3kdm s VAL 35 CO -0.21 0.14 -0.06 -0.44 0.00 0.00 0.00 175.10 174.54 3kdm s SER 36 N 1.44 4.32 -0.04 3.32 0.01 -0.75 -1.36 113.70 120.64 3kdm s SER 36 Ca 0.20 -0.70 0.02 0.00 1.31 0.00 0.00 55.95 56.78 3kdm s SER 36 Cb -0.15 -0.73 0.01 0.00 0.21 0.00 0.00 66.02 65.36 3kdm s SER 36 CO 0.09 0.03 -0.10 0.26 0.41 0.00 0.00 173.24 173.92 3kdm s TRP 37 N -2.24 1.19 0.06 2.43 0.52 -0.34 -0.78 118.94 119.78 3kdm s TRP 37 Ca 0.30 -0.37 0.08 0.00 0.02 0.00 0.00 56.10 56.13 3kdm s TRP 37 Cb -0.07 -0.87 -0.03 0.00 -1.15 0.00 0.00 33.47 31.35 3kdm s TRP 37 CO 0.18 -0.19 -0.21 0.71 0.02 0.00 0.00 176.95 177.47 3kdm s TYR 38 N 0.46 2.48 -0.13 -1.98 1.51 0.12 -0.59 117.35 119.21 3kdm s TYR 38 Ca -0.09 -0.30 -0.04 0.00 -1.01 0.00 0.00 57.07 55.63 3kdm s TYR 38 Cb -0.13 -1.41 -0.03 0.00 -0.11 0.00 0.00 41.96 40.28 3kdm s TYR 38 CO 0.02 0.25 0.01 -1.14 -1.11 0.00 0.00 175.55 173.57 3kdm s GLN 39 N -1.54 3.48 -0.17 -0.62 0.74 0.10 -0.93 119.66 120.71 3kdm s GLN 39 Ca 0.14 -0.43 -0.03 0.00 0.05 0.00 0.00 55.36 55.10 3kdm s GLN 39 Cb -0.10 -2.95 0.05 0.00 1.10 0.00 0.00 33.01 31.12 3kdm s GLN 39 CO 0.05 0.44 0.04 -1.14 -0.55 0.00 0.00 175.29 174.13 3kdm s GLN 40 N -0.15 0.53 -0.14 1.67 0.74 0.94 -0.05 119.66 123.20 3kdm s GLN 40 Ca 0.05 -0.27 -0.29 0.00 0.05 0.00 0.00 55.36 54.89 3kdm s GLN 40 Cb -0.13 -1.88 -0.02 0.00 1.10 0.00 0.00 33.01 32.09 3kdm s GLN 40 CO 0.02 -0.59 1.30 -1.01 -0.55 0.00 0.00 175.29 174.46 3kdm s HIS 41 N 1.93 2.79 0.16 1.67 3.76 -1.26 -1.73 115.29 122.60 3kdm s HIS 41 Ca 0.01 0.94 -0.33 0.00 -0.15 0.00 0.00 55.06 55.52 3kdm s HIS 41 Cb -0.16 -3.54 -0.16 0.00 1.11 0.00 0.00 32.58 29.83 3kdm s HIS 41 CO -0.08 -1.90 1.23 -2.30 -0.85 0.00 0.00 174.74 170.84 3kdm n PRO 42 N 6.49 1.27 -0.07 8.40 -0.02 -1.26 -0.50 135.00 149.31 3kdm n PRO 42 Ca 0.14 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3kdm n PRO 42 Cb 0.45 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3kdm n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kdm n GLY 43 N 2.17 0.50 3.19 -1.23 0.00 -1.26 -5.06 105.19 103.51 3kdm n GLY 43 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 3kdm n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kdm s LYS 44 N -0.86 0.91 0.66 1.61 -0.14 0.35 -5.15 119.74 117.12 3kdm s LYS 44 Ca 0.00 -1.38 -0.13 0.00 -1.36 0.00 0.00 55.97 53.10 3kdm s LYS 44 Cb 0.00 -0.30 -0.01 0.00 -1.68 0.00 0.00 37.83 35.84 3kdm s LYS 44 CO 0.00 -0.01 1.06 0.00 -0.76 0.00 0.00 175.35 175.64 3kdm s ALA 45 N -3.57 2.67 0.67 5.17 0.00 -1.26 -4.56 121.76 120.88 3kdm s ALA 45 Ca 0.14 0.25 -0.17 0.00 0.00 0.00 0.00 51.96 52.18 3kdm s ALA 45 Cb 0.05 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.96 3kdm s ALA 45 CO -0.03 -1.09 1.23 -2.14 0.00 0.00 0.00 175.76 173.74 3kdm s PRO 46 N -4.58 2.46 -0.09 0.00 0.02 -1.26 -4.65 135.00 126.89 3kdm s PRO 46 Ca 0.61 1.87 0.04 0.00 0.02 0.00 0.00 61.00 63.54 3kdm s PRO 46 Cb -0.15 -1.86 -0.00 0.00 0.02 0.00 0.00 34.50 32.51 3kdm s PRO 46 CO 0.47 -1.62 -0.24 0.21 -0.33 0.00 0.00 177.00 175.50 3kdm s LYS 47 N -3.62 2.89 -0.14 5.54 2.20 0.93 -4.94 119.74 122.60 3kdm s LYS 47 Ca 0.78 -0.86 -0.29 0.00 -0.36 0.00 0.00 55.97 55.23 3kdm s LYS 47 Cb -0.32 -2.22 -0.03 0.00 -1.51 0.00 0.00 37.83 33.74 3kdm s LYS 47 CO 0.41 0.21 1.54 -1.17 -0.36 0.00 0.00 175.35 175.97 3kdm s LEU 48 N 0.27 4.13 -0.19 5.43 2.96 -1.26 -0.72 118.68 129.30 3kdm s LEU 48 Ca -0.16 1.87 0.13 0.00 -0.22 0.00 0.00 54.13 55.76 3kdm s LEU 48 Cb -0.17 -3.53 -0.21 0.00 0.50 0.00 0.00 46.19 42.77 3kdm s LEU 48 CO 0.08 -1.00 0.01 0.23 -1.32 0.00 0.00 176.35 174.34 3kdm n MET 49 N 7.19 0.93 -3.79 1.98 2.81 0.24 -4.71 117.12 121.79 3kdm n MET 49 Ca 0.17 0.02 -0.13 0.00 -1.81 0.00 0.00 57.70 55.95 3kdm n MET 49 Cb 0.44 -1.47 -0.10 0.00 -0.71 0.00 0.00 33.22 31.38 3kdm n MET 49 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3kdm s ILE 50 N -2.45 0.03 0.07 2.02 -1.09 -1.07 -4.09 121.20 114.62 3kdm s ILE 50 Ca -0.14 -0.28 -0.09 0.00 -2.23 0.00 0.00 60.65 57.92 3kdm s ILE 50 Cb 0.06 -0.48 0.00 0.00 -1.58 0.00 0.00 42.46 40.46 3kdm s ILE 50 CO 0.71 -0.15 0.20 -0.72 -1.23 0.00 0.00 174.94 173.74 3kdm s TYR 51 N -0.60 0.10 -1.21 3.97 1.13 -0.32 -1.20 117.35 119.22 3kdm s TYR 51 Ca -0.07 -0.44 -0.00 0.00 -1.41 0.00 0.00 57.07 55.14 3kdm s TYR 51 Cb -0.04 -0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.78 3kdm s TYR 51 CO 0.02 -0.50 0.05 0.41 -2.51 0.00 0.00 175.55 173.02 3kdm n GLY 52 N 0.24 -0.21 4.72 5.49 0.00 -1.07 -0.53 105.19 113.82 3kdm n GLY 52 Ca -0.17 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3kdm n GLY 52 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kdm n VAL 53 N -4.03 0.00 -0.02 1.61 0.31 -0.46 -4.19 118.33 111.55 3kdm n VAL 53 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3kdm n VAL 53 Cb 0.62 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 3kdm n VAL 53 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3kdm n THR 54 N 0.00 0.00 -3.13 2.52 -2.24 -1.22 -3.76 114.28 106.45 3kdm n THR 54 Ca 0.00 -0.41 -0.40 0.00 -2.27 0.00 0.00 64.05 60.97 3kdm n THR 54 Cb 0.00 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.20 3kdm n THR 54 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3kdm s ASN 55 N -0.71 6.70 0.07 3.42 -0.87 0.31 -4.58 114.94 119.27 3kdm s ASN 55 Ca 0.00 0.85 -0.25 0.00 -1.57 0.00 0.00 52.86 51.89 3kdm s ASN 55 Cb 0.00 -2.35 -0.06 0.00 -0.02 0.00 0.00 41.25 38.83 3kdm s ASN 55 CO 0.00 -0.23 0.78 -0.13 -2.57 0.00 0.00 177.10 174.95 3kdm s ARG 56 N 1.70 4.52 0.18 -0.60 0.52 -1.26 -1.18 118.95 122.83 3kdm s ARG 56 Ca 0.29 1.11 -0.03 0.00 -0.52 0.00 0.00 55.73 56.58 3kdm s ARG 56 Cb -0.16 -3.35 0.04 0.00 0.52 0.00 0.00 34.95 32.01 3kdm s ARG 56 CO 0.11 0.32 0.14 -2.30 0.02 0.00 0.00 175.30 173.59 3kdm n PRO 57 N 2.64 -1.65 -2.97 3.54 -0.02 -1.26 -5.00 135.00 130.28 3kdm n PRO 57 Ca -0.03 -0.23 -0.36 0.00 -2.02 0.00 0.00 63.50 60.87 3kdm n PRO 57 Cb 0.50 -0.23 -0.06 0.00 -0.02 0.00 0.00 33.50 33.68 3kdm n PRO 57 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kdm s SER 58 N -1.99 7.16 0.00 2.55 0.15 -1.26 -4.00 113.70 116.31 3kdm s SER 58 Ca 0.09 1.58 0.00 0.00 0.70 0.00 0.00 55.95 58.33 3kdm s SER 58 Cb -0.01 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 3kdm s SER 58 CO 0.07 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.10 3kdm n GLY 59 N 0.60 0.74 3.49 9.45 0.00 -1.26 -5.05 105.19 113.16 3kdm n GLY 59 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3kdm n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kdm s VAL 60 N -2.26 3.70 0.52 1.61 1.01 -1.26 -5.08 120.40 118.64 3kdm s VAL 60 Ca 0.00 -0.44 -0.22 0.00 0.00 0.00 0.00 61.98 61.32 3kdm s VAL 60 Cb 0.00 -2.59 -0.06 0.00 0.00 0.00 0.00 36.38 33.73 3kdm s VAL 60 CO 0.00 0.52 1.27 -0.24 0.00 0.00 0.00 175.10 176.65 3kdm n SER 61 N 3.27 2.35 -0.14 3.32 2.88 -1.26 -4.89 113.62 119.15 3kdm n SER 61 Ca -0.18 0.99 0.07 0.00 -1.33 0.00 0.00 58.87 58.42 3kdm n SER 61 Cb 0.53 -1.53 0.34 0.00 -0.75 0.00 0.00 64.21 62.80 3kdm n SER 61 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3kdm n ASN 62 N -0.64 0.42 0.00 -3.46 0.23 -1.26 -3.02 115.26 107.53 3kdm n ASN 62 Ca 0.10 -1.67 0.14 0.00 -0.53 0.00 0.00 54.58 52.62 3kdm n ASN 62 Cb 0.44 -0.04 0.75 0.00 -2.08 0.00 0.00 39.78 38.85 3kdm n ASN 62 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3kdm n ARG 63 N -0.43 0.54 -4.15 -3.83 1.74 -1.26 -4.67 116.66 104.60 3kdm n ARG 63 Ca 0.10 0.02 -0.35 0.00 -0.77 0.00 0.00 57.85 56.86 3kdm n ARG 63 Cb 0.11 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 29.92 3kdm n ARG 63 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kdm s PHE 64 N -2.41 3.00 0.08 -1.55 0.40 -1.17 -1.51 117.98 114.82 3kdm s PHE 64 Ca 0.31 -0.54 0.01 0.00 -0.60 0.00 0.00 56.93 56.11 3kdm s PHE 64 Cb 0.19 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.63 3kdm s PHE 64 CO 0.40 -0.27 -0.05 -1.54 0.70 0.00 0.00 175.22 174.46 3kdm s SER 65 N 0.94 0.92 0.11 1.36 1.04 -0.79 -4.95 113.70 112.33 3kdm s SER 65 Ca 0.00 -1.00 0.08 0.00 0.48 0.00 0.00 55.95 55.52 3kdm s SER 65 Cb -0.14 0.13 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 3kdm s SER 65 CO 0.01 -0.51 -0.21 -0.83 0.98 0.00 0.00 173.24 172.68 3kdm s GLY 66 N -2.99 1.29 0.34 7.32 0.00 -1.26 -0.49 107.32 111.53 3kdm s GLY 66 Ca 0.10 -1.30 -0.04 0.00 0.00 0.00 0.00 44.72 43.48 3kdm s GLY 66 CO -0.06 -1.30 0.50 -1.35 0.00 0.00 0.00 173.10 170.88 3kdm s SER 67 N -2.01 0.76 -0.16 1.64 1.04 -0.66 -4.52 113.70 109.77 3kdm s SER 67 Ca 0.08 -1.42 -0.28 0.00 0.48 0.00 0.00 55.95 54.82 3kdm s SER 67 Cb -0.09 0.67 0.08 0.00 0.10 0.00 0.00 66.02 66.77 3kdm s SER 67 CO 0.05 -1.31 0.74 -0.75 0.98 0.00 0.00 173.24 172.94 3kdm s LYS 68 N -3.08 0.91 -0.12 4.02 2.20 -1.26 -1.47 119.74 120.94 3kdm s LYS 68 Ca 0.29 0.59 -0.06 0.00 -0.36 0.00 0.00 55.97 56.43 3kdm s LYS 68 Cb -0.01 0.43 0.06 0.00 -1.51 0.00 0.00 37.83 36.80 3kdm s LYS 68 CO 0.19 -0.21 0.27 0.45 -0.36 0.00 0.00 175.35 175.69 3kdm s SER 69 N -0.44 -0.07 1.01 1.43 0.15 -0.57 -5.00 113.70 110.20 3kdm s SER 69 Ca -0.05 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.20 3kdm s SER 69 Cb -0.02 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 3kdm s SER 69 CO 0.05 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.90 3kdm n GLY 70 N 4.67 2.68 1.15 9.45 0.00 -1.26 -2.37 105.19 119.52 3kdm n GLY 70 Ca -0.18 -0.41 0.05 0.00 0.00 0.00 0.00 46.02 45.48 3kdm n GLY 70 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kdm n ASN 71 N 2.10 3.29 -3.95 1.61 0.23 -1.26 -4.23 115.26 113.05 3kdm n ASN 71 Ca 0.00 -2.39 -0.28 0.00 -0.53 0.00 0.00 54.58 51.38 3kdm n ASN 71 Cb 0.00 -0.52 -0.17 0.00 -2.08 0.00 0.00 39.78 37.01 3kdm n ASN 71 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3kdm s THR 72 N -1.85 1.25 0.36 5.53 2.01 -1.00 -0.28 115.64 121.66 3kdm s THR 72 Ca 0.30 -0.46 -0.02 0.00 0.31 0.00 0.00 61.69 61.82 3kdm s THR 72 Cb 0.21 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 3kdm s THR 72 CO 0.11 0.37 0.60 0.00 -0.69 0.00 0.00 174.62 175.01 3kdm s ALA 73 N 1.61 3.62 -0.02 7.40 0.00 0.78 -1.51 121.76 133.64 3kdm s ALA 73 Ca 0.04 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 3kdm s ALA 73 Cb -0.13 -2.24 0.01 0.00 0.00 0.00 0.00 23.12 20.76 3kdm s ALA 73 CO -0.09 -0.04 0.05 -1.12 0.00 0.00 0.00 175.76 174.56 3kdm s SER 74 N -3.90 -0.03 -0.19 0.00 0.01 -0.54 -0.60 113.70 108.45 3kdm s SER 74 Ca 0.42 0.10 -0.06 0.00 1.31 0.00 0.00 55.95 57.73 3kdm s SER 74 Cb -0.10 0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.17 3kdm s SER 74 CO 0.37 -0.05 0.01 -0.22 0.41 0.00 0.00 173.24 173.77 3kdm s LEU 75 N 0.30 3.44 -0.11 2.44 2.96 -0.56 -1.66 118.68 125.50 3kdm s LEU 75 Ca -0.02 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 3kdm s LEU 75 Cb -0.03 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 3kdm s LEU 75 CO -0.01 0.12 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.13 3kdm s THR 76 N 0.68 3.24 -0.26 3.68 2.01 0.35 -1.16 115.64 124.19 3kdm s THR 76 Ca 0.01 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.39 3kdm s THR 76 Cb -0.14 -2.34 0.04 0.00 0.01 0.00 0.00 72.50 70.07 3kdm s THR 76 CO 0.02 0.55 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.79 3kdm s ILE 77 N -0.05 2.57 0.30 1.82 1.01 -0.39 -1.88 121.20 124.59 3kdm s ILE 77 Ca -0.02 -1.32 0.04 0.00 0.00 0.00 0.00 60.65 59.35 3kdm s ILE 77 Cb -0.14 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 3kdm s ILE 77 CO 0.04 0.08 0.45 -0.94 0.00 0.00 0.00 174.94 174.56 3kdm s SER 78 N 1.22 6.18 -1.50 3.58 1.04 -0.57 -1.10 113.70 122.56 3kdm s SER 78 Ca -0.04 0.08 -0.12 0.00 0.48 0.00 0.00 55.95 56.35 3kdm s SER 78 Cb -0.18 -1.68 0.07 0.00 0.10 0.00 0.00 66.02 64.33 3kdm s SER 78 CO -0.05 -0.26 0.94 0.61 0.98 0.00 0.00 173.24 175.47 3kdm n GLY 79 N -1.59 -0.46 3.65 7.32 0.00 -1.17 -4.79 105.19 108.15 3kdm n GLY 79 Ca -0.05 0.19 -0.49 0.00 0.00 0.00 0.00 46.02 45.67 3kdm n GLY 79 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kdm n LEU 80 N -4.64 2.67 -4.39 0.99 7.94 -0.76 -4.57 117.00 114.24 3kdm n LEU 80 Ca -0.01 1.08 -0.20 0.00 -1.11 0.00 0.00 56.01 55.76 3kdm n LEU 80 Cb 0.55 -1.33 -0.10 0.00 0.53 0.00 0.00 43.42 43.07 3kdm n LEU 80 CO 0.74 -0.49 -0.42 -1.10 -1.11 0.00 0.00 177.39 175.02 3kdm s GLN 81 N 1.49 1.46 0.29 1.96 -0.21 -1.26 -0.15 119.66 123.23 3kdm s GLN 81 Ca 0.84 -1.68 0.02 0.00 0.02 0.00 0.00 55.36 54.56 3kdm s GLN 81 Cb -0.79 -1.22 0.70 0.00 1.00 0.00 0.00 33.01 32.70 3kdm s GLN 81 CO 0.45 0.15 1.64 0.00 -2.12 0.00 0.00 175.29 175.41 3kdm h ALA 82 N 2.42 1.26 0.00 6.09 0.00 -1.89 -0.05 119.26 127.08 3kdm h ALA 82 Ca -0.39 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kdm h ALA 82 Cb 1.23 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3kdm h ALA 82 CO 0.64 -0.47 0.00 0.41 0.00 0.00 0.00 179.25 179.82 3kdm n GLY 83 N -1.38 -0.75 0.05 0.00 0.00 -1.16 -2.46 105.19 99.50 3kdm n GLY 83 Ca 0.21 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.23 3kdm n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kdm n ASP 84 N -0.90 0.64 -4.63 1.61 8.00 -0.03 -4.84 116.55 116.40 3kdm n ASP 84 Ca 0.14 0.07 -0.54 0.00 0.71 0.00 0.00 54.79 55.18 3kdm n ASP 84 Cb 0.07 0.14 -0.07 0.00 -0.02 0.00 0.00 41.12 41.24 3kdm n ASP 84 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kdm n GLU 85 N -1.98 1.37 -3.90 -1.24 1.02 -1.03 -4.86 120.64 110.01 3kdm n GLU 85 Ca 0.04 0.48 0.04 0.00 -0.02 0.00 0.00 57.16 57.69 3kdm n GLU 85 Cb 0.42 -2.32 0.01 0.00 -0.02 0.00 0.00 31.44 29.53 3kdm n GLU 85 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kdm s ALA 86 N 4.66 -2.59 -0.14 0.62 0.00 -1.25 -4.82 121.76 118.24 3kdm s ALA 86 Ca 1.00 0.30 -0.06 0.00 0.00 0.00 0.00 51.96 53.19 3kdm s ALA 86 Cb -0.93 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 3kdm s ALA 86 CO 0.58 -1.14 0.08 -0.51 0.00 0.00 0.00 175.76 174.77 3kdm s ASP 87 N -3.67 5.86 -0.10 0.00 1.01 -0.71 -1.62 116.67 117.45 3kdm s ASP 87 Ca 0.27 0.24 0.01 0.00 0.71 0.00 0.00 52.55 53.78 3kdm s ASP 87 Cb 0.02 -1.90 -0.02 0.00 1.01 0.00 0.00 42.92 42.02 3kdm s ASP 87 CO -0.03 0.30 -0.14 -0.31 0.21 0.00 0.00 175.17 175.20 3kdm s TYR 88 N -0.38 2.76 -0.09 4.23 1.51 0.05 -0.04 117.35 125.39 3kdm s TYR 88 Ca 0.10 -0.45 0.04 0.00 -1.01 0.00 0.00 57.07 55.75 3kdm s TYR 88 Cb -0.12 -1.75 -0.00 0.00 -0.11 0.00 0.00 41.96 39.98 3kdm s TYR 88 CO 0.02 -0.05 -0.24 0.71 -1.11 0.00 0.00 175.55 174.87 3kdm s TYR 89 N -0.09 2.52 0.53 2.71 2.02 -0.11 -0.93 117.35 124.00 3kdm s TYR 89 Ca -0.02 -0.99 -0.04 0.00 -0.37 0.00 0.00 57.07 55.64 3kdm s TYR 89 Cb -0.14 -1.68 -0.01 0.00 -0.40 0.00 0.00 41.96 39.73 3kdm s TYR 89 CO 0.04 -0.39 0.82 0.00 -1.57 0.00 0.00 175.55 174.45 3kdm s SER 91 N -4.23 -0.07 -0.07 0.00 1.04 0.04 0.10 113.70 110.52 3kdm s SER 91 Ca 0.51 -0.75 -0.21 0.00 0.48 0.00 0.00 55.95 55.98 3kdm s SER 91 Cb -0.10 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.55 3kdm s SER 91 CO 0.44 -0.96 0.48 -0.55 0.98 0.00 0.00 173.24 173.62 3kdm s SER 92 N -2.94 -0.43 0.67 7.02 0.15 -0.52 -1.81 113.70 115.84 3kdm s SER 92 Ca 0.15 0.54 -0.17 0.00 0.70 0.00 0.00 55.95 57.17 3kdm s SER 92 Cb 0.02 0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 64.87 3kdm s SER 92 CO -0.00 -0.42 0.68 0.00 1.20 0.00 0.00 173.24 174.69 3kdm n TYR 93 N 1.59 -0.25 -4.26 3.44 9.36 -1.11 -2.38 117.16 123.56 3kdm n TYR 93 Ca -0.18 0.39 -0.15 0.00 3.32 0.00 0.00 57.90 61.28 3kdm n TYR 93 Cb 0.56 -1.99 -0.10 0.00 -0.63 0.00 0.00 39.34 37.18 3kdm n TYR 93 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 3kdm s THR 94 N -1.78 1.23 -2.02 2.97 -4.23 -1.13 -4.46 115.64 106.23 3kdm s THR 94 Ca 0.70 -2.03 0.25 0.00 -1.18 0.00 0.00 61.69 59.43 3kdm s THR 94 Cb -0.38 -1.81 0.16 0.00 1.34 0.00 0.00 72.50 71.80 3kdm s THR 94 CO 0.54 -0.69 1.35 -1.54 -0.54 0.00 0.00 174.62 173.73 3kdm n SER 95 N -0.11 1.64 -2.84 3.99 3.41 -0.26 -4.71 113.62 114.74 3kdm n SER 95 Ca -0.11 -1.29 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 3kdm n SER 95 Cb 0.60 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.82 3kdm n SER 95 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kdm n THR 96 N -0.18 0.00 1.25 6.66 -2.24 -1.26 -4.96 114.28 113.55 3kdm n THR 96 Ca 0.11 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.04 3kdm n THR 96 Cb 0.42 -1.89 0.61 0.00 -2.10 0.00 0.00 70.33 67.37 3kdm n THR 96 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3kdm n ARG 97 N -0.22 0.34 -2.92 -0.78 0.63 -1.26 -4.63 116.66 107.82 3kdm n ARG 97 Ca 0.00 -0.08 -0.43 0.00 -0.92 0.00 0.00 57.85 56.43 3kdm n ARG 97 Cb 0.00 -1.50 -0.05 0.00 0.45 0.00 0.00 32.46 31.36 3kdm n ARG 97 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3kdm s THR 98 N -2.71 4.66 -0.36 5.15 2.01 -1.26 -4.94 115.64 118.19 3kdm s THR 98 Ca 0.22 0.82 0.21 0.00 0.31 0.00 0.00 61.69 63.26 3kdm s THR 98 Cb 0.19 -4.28 0.27 0.00 0.01 0.00 0.00 72.50 68.69 3kdm s THR 98 CO 0.51 -0.56 1.58 1.55 -0.69 0.00 0.00 174.62 177.01 3kdm h PRO 99 N 8.66 0.00 -2.37 4.92 0.13 -1.84 -3.33 132.00 138.17 3kdm h PRO 99 Ca -0.24 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.81 3kdm h PRO 99 Cb 1.09 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.01 3kdm h PRO 99 CO 0.95 0.13 -0.02 -0.47 -0.23 0.00 0.00 178.00 178.36 3kdm s TYR 100 N -3.16 -0.56 -0.18 1.56 5.04 -1.26 -2.83 117.35 115.95 3kdm s TYR 100 Ca 0.06 1.23 -0.19 0.00 -2.44 0.00 0.00 57.07 55.73 3kdm s TYR 100 Cb 0.06 0.25 0.05 0.00 0.35 0.00 0.00 41.96 42.67 3kdm s TYR 100 CO 0.69 -0.40 0.53 0.54 -1.34 0.00 0.00 175.55 175.57 3kdm s VAL 101 N -0.36 0.00 0.17 3.14 0.11 -1.00 -4.98 120.40 117.48 3kdm s VAL 101 Ca -0.05 -0.02 -0.06 0.00 -2.93 0.00 0.00 61.98 58.92 3kdm s VAL 101 Cb -0.03 -0.75 -0.06 0.00 -1.53 0.00 0.00 36.38 34.01 3kdm s VAL 101 CO 0.04 -0.01 0.42 -0.36 -3.33 0.00 0.00 175.10 171.86 3kdm s PHE 102 N 0.13 3.46 0.94 1.54 0.40 -1.26 -1.43 117.98 121.76 3kdm s PHE 102 Ca -0.01 0.63 -0.14 0.00 -0.60 0.00 0.00 56.93 56.81 3kdm s PHE 102 Cb -0.04 -2.07 0.16 0.00 0.51 0.00 0.00 43.02 41.59 3kdm s PHE 102 CO 0.01 0.39 1.17 0.20 0.70 0.00 0.00 175.22 177.69 3kdm s GLY 103 N -2.43 1.61 0.12 4.36 0.00 0.11 -3.70 107.32 107.40 3kdm s GLY 103 Ca 0.43 -0.69 0.26 0.00 0.00 0.00 0.00 44.72 44.72 3kdm s GLY 103 CO 0.24 -0.07 1.82 -1.30 0.00 0.00 0.00 173.10 173.78 3kdm n THR 104 N -3.84 0.40 0.00 0.90 -2.24 -0.81 -4.75 114.28 103.94 3kdm n THR 104 Ca 0.09 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3kdm n THR 104 Cb 0.59 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 3kdm n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kdm n GLY 105 N 1.22 1.46 2.96 3.38 0.00 -1.26 -4.99 105.19 107.96 3kdm n GLY 105 Ca 0.06 -1.55 -0.25 0.00 0.00 0.00 0.00 46.02 44.28 3kdm n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kdm s THR 106 N -1.37 0.99 -0.22 2.61 2.01 -0.10 -4.41 115.64 115.15 3kdm s THR 106 Ca 0.00 -0.35 -0.23 0.00 0.31 0.00 0.00 61.69 61.43 3kdm s THR 106 Cb 0.00 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 3kdm s THR 106 CO 0.00 0.34 0.72 -0.75 -0.69 0.00 0.00 174.62 174.24 3kdm s LYS 107 N 1.09 4.20 -0.15 4.92 2.20 0.22 -0.77 119.74 131.44 3kdm s LYS 107 Ca -0.07 0.77 -0.24 0.00 -0.36 0.00 0.00 55.97 56.07 3kdm s LYS 107 Cb -0.14 -3.61 -0.02 0.00 -1.51 0.00 0.00 37.83 32.54 3kdm s LYS 107 CO -0.01 -0.37 0.77 0.08 -0.36 0.00 0.00 175.35 175.46 3kdm s VAL 108 N 2.35 4.94 -0.08 4.02 1.01 -0.64 -1.69 120.40 130.31 3kdm s VAL 108 Ca 0.32 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.81 3kdm s VAL 108 Cb -0.16 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 3kdm s VAL 108 CO 0.09 0.08 -0.06 -0.70 0.00 0.00 0.00 175.10 174.52 3kdm s GLU 109 N 1.85 2.88 -0.19 2.72 2.12 0.15 -3.79 118.70 124.44 3kdm s GLU 109 Ca 0.36 -0.53 -0.12 0.00 0.36 0.00 0.00 54.97 55.05 3kdm s GLU 109 Cb -0.17 -2.65 -0.05 0.00 0.26 0.00 0.00 34.13 31.53 3kdm s GLU 109 CO 0.13 0.63 0.22 0.42 -0.54 0.00 0.00 175.26 176.12 3kdm s ILE 110 N -0.70 5.35 -0.12 -3.70 -1.09 -1.26 -1.76 121.20 117.92 3kdm s ILE 110 Ca 0.11 0.38 -0.22 0.00 -2.23 0.00 0.00 60.65 58.69 3kdm s ILE 110 Cb -0.11 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 3kdm s ILE 110 CO 0.02 0.39 0.64 -0.54 -1.23 0.00 0.00 174.94 174.22 3kdm s LYS 111 N 0.55 4.35 0.40 2.79 1.02 0.33 -4.89 119.74 124.30 3kdm s LYS 111 Ca 0.12 0.72 0.03 0.00 0.02 0.00 0.00 55.97 56.87 3kdm s LYS 111 Cb -0.12 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.67 3kdm s LYS 111 CO 0.02 -0.01 0.08 -0.98 -0.92 0.00 0.00 175.35 173.54 3kdm s ARG 112 N 1.10 1.90 0.64 1.68 1.70 -1.26 -4.03 118.95 120.69 3kdm s ARG 112 Ca 0.33 -2.14 -0.18 0.00 -0.47 0.00 0.00 55.73 53.27 3kdm s ARG 112 Cb -0.17 -0.90 -0.01 0.00 -0.57 0.00 0.00 34.95 33.30 3kdm s ARG 112 CO 0.14 -0.35 1.30 0.25 -1.08 0.00 0.00 175.30 175.56 3kdm n THR 113 N -0.91 4.90 -1.69 4.99 -2.24 -1.26 -4.91 114.28 113.16 3kdm n THR 113 Ca -0.07 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.78 3kdm n THR 113 Cb 0.66 -1.50 -0.01 0.00 -2.10 0.00 0.00 70.33 67.37 3kdm n THR 113 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3kdm n VAL 114 N -1.86 1.66 -3.85 2.28 0.31 -1.26 -4.75 118.33 110.85 3kdm n VAL 114 Ca 0.16 -0.41 -0.23 0.00 -0.01 0.00 0.00 64.34 63.84 3kdm n VAL 114 Cb 0.48 -1.57 -0.17 0.00 -0.91 0.00 0.00 33.84 31.66 3kdm n VAL 114 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kdm s ALA 115 N -0.75 0.80 0.42 3.52 0.00 0.36 -4.91 121.76 121.21 3kdm s ALA 115 Ca 0.59 -0.19 -0.25 0.00 0.00 0.00 0.00 51.96 52.12 3kdm s ALA 115 Cb -0.58 -0.73 -0.08 0.00 0.00 0.00 0.00 23.12 21.72 3kdm s ALA 115 CO 0.58 -0.39 1.19 0.00 0.00 0.00 0.00 175.76 177.13 3kdm s ALA 116 N 1.79 3.11 0.57 0.00 0.00 -1.26 -1.43 121.76 124.54 3kdm s ALA 116 Ca 0.03 0.99 -0.18 0.00 0.00 0.00 0.00 51.96 52.80 3kdm s ALA 116 Cb -0.13 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 3kdm s ALA 116 CO -0.05 -0.61 1.10 -1.25 0.00 0.00 0.00 175.76 174.95 3kdm s PRO 117 N -2.40 3.29 -0.15 0.00 0.04 -1.26 -4.64 135.00 129.87 3kdm s PRO 117 Ca 0.59 1.44 -0.16 0.00 0.04 0.00 0.00 61.00 62.91 3kdm s PRO 117 Cb -0.31 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 3kdm s PRO 117 CO 0.39 -0.87 0.41 -1.12 0.04 0.00 0.00 177.00 175.85 3kdm s SER 118 N -2.18 6.55 -0.14 6.66 0.01 -0.78 -4.84 113.70 118.99 3kdm s SER 118 Ca 0.69 0.65 -0.04 0.00 1.31 0.00 0.00 55.95 58.55 3kdm s SER 118 Cb -0.20 -2.24 -0.03 0.00 0.21 0.00 0.00 66.02 63.75 3kdm s SER 118 CO 0.31 0.00 0.02 -0.69 0.41 0.00 0.00 173.24 173.29 3kdm s VAL 119 N 0.79 4.42 0.02 3.43 1.01 -1.26 -0.57 120.40 128.24 3kdm s VAL 119 Ca 0.22 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.06 3kdm s VAL 119 Cb -0.14 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 3kdm s VAL 119 CO 0.08 0.53 -0.13 -0.36 0.00 0.00 0.00 175.10 175.21 3kdm s PHE 120 N -0.14 1.16 -0.02 5.22 0.08 -0.25 -4.96 117.98 119.06 3kdm s PHE 120 Ca 0.05 -0.29 0.06 0.00 0.12 0.00 0.00 56.93 56.87 3kdm s PHE 120 Cb -0.12 -0.72 -0.02 0.00 -0.57 0.00 0.00 43.02 41.58 3kdm s PHE 120 CO 0.02 0.01 -0.19 -1.50 -0.10 0.00 0.00 175.22 173.45 3kdm s ILE 121 N -0.59 2.65 -0.14 0.64 2.07 -1.26 -0.50 121.20 124.06 3kdm s ILE 121 Ca 0.03 -0.94 0.00 0.00 -1.41 0.00 0.00 60.65 58.33 3kdm s ILE 121 Cb -0.06 -2.01 0.03 0.00 0.13 0.00 0.00 42.46 40.54 3kdm s ILE 121 CO 0.00 0.54 -0.10 -0.36 -1.91 0.00 0.00 174.94 173.11 3kdm s PHE 122 N -0.72 1.90 0.86 3.50 0.08 0.11 -5.00 117.98 118.71 3kdm s PHE 122 Ca 0.11 -1.08 -0.11 0.00 0.12 0.00 0.00 56.93 55.97 3kdm s PHE 122 Cb -0.10 -1.44 0.11 0.00 -0.57 0.00 0.00 43.02 41.02 3kdm s PHE 122 CO 0.01 -0.62 1.09 -1.25 -0.10 0.00 0.00 175.22 174.35 3kdm s PRO 123 N 1.57 1.53 0.56 0.24 0.04 -1.26 -2.29 135.00 135.40 3kdm s PRO 123 Ca 0.04 0.91 -0.18 0.00 0.04 0.00 0.00 61.00 61.81 3kdm s PRO 123 Cb -0.13 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 3kdm s PRO 123 CO -0.09 -2.08 1.08 -1.25 0.04 0.00 0.00 177.00 174.71 3kdm s PRO 124 N -4.93 3.35 0.50 0.56 0.05 -1.24 -4.86 135.00 128.44 3kdm s PRO 124 Ca 0.63 1.41 -0.20 0.00 0.05 0.00 0.00 61.00 62.88 3kdm s PRO 124 Cb -0.18 -2.02 -0.07 0.00 0.05 0.00 0.00 34.50 32.28 3kdm s PRO 124 CO 0.57 -0.81 1.08 -1.54 0.05 0.00 0.00 177.00 176.35 3kdm s SER 125 N -2.23 6.12 0.31 6.66 1.04 -1.26 -4.95 113.70 119.39 3kdm s SER 125 Ca 0.68 2.06 0.01 0.00 0.48 0.00 0.00 55.95 59.18 3kdm s SER 125 Cb -0.19 -2.57 0.55 0.00 0.10 0.00 0.00 66.02 63.91 3kdm s SER 125 CO 0.30 -0.94 1.94 0.44 0.98 0.00 0.00 173.24 175.96 3kdm h ASP 126 N 1.51 0.86 -0.20 7.02 3.32 -1.98 -1.71 116.42 125.24 3kdm h ASP 126 Ca -0.50 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.59 3kdm h ASP 126 Cb 1.24 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.56 3kdm h ASP 126 CO 0.58 0.57 -0.05 -0.08 -1.72 0.00 0.00 179.24 178.55 3kdm h GLU 127 N 0.99 0.00 -0.07 3.56 4.81 -2.00 0.41 114.58 122.29 3kdm h GLU 127 Ca 0.35 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.52 3kdm h GLU 127 Cb 0.12 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3kdm h GLU 127 CO -0.11 0.00 -0.23 0.37 -0.73 0.00 0.00 179.01 178.31 3kdm h GLN 128 N 0.00 0.12 -0.58 1.92 4.15 -1.80 -2.17 115.11 116.75 3kdm h GLN 128 Ca 0.10 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.41 3kdm h GLN 128 Cb 0.15 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 3kdm h GLN 128 CO -0.21 0.36 0.06 -0.07 -1.93 0.00 0.00 178.83 177.04 3kdm h LEU 129 N 0.12 0.95 -0.74 -2.39 3.38 -0.29 -2.03 115.31 114.31 3kdm h LEU 129 Ca 0.02 -0.28 0.17 0.00 0.09 0.00 0.00 57.88 57.88 3kdm h LEU 129 Cb 0.48 -0.25 -0.13 0.00 0.09 0.00 0.00 40.66 40.85 3kdm h LEU 129 CO 0.03 1.00 0.03 0.11 0.09 0.00 0.00 178.44 179.70 3kdm h LYS 130 N 0.88 0.12 -0.20 1.13 1.57 0.43 -0.86 116.57 119.64 3kdm h LYS 130 Ca 0.17 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3kdm h LYS 130 Cb 0.47 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3kdm h LYS 130 CO 0.02 0.08 0.00 -1.13 -0.57 0.00 0.00 179.45 177.85 3kdm n SER 131 N -5.31 1.03 0.00 0.86 3.41 -0.78 -4.91 113.62 107.92 3kdm n SER 131 Ca 0.13 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 3kdm n SER 131 Cb 0.46 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 3kdm n SER 131 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kdm n GLY 132 N 0.79 0.88 3.12 5.00 0.00 -0.33 -5.05 105.19 109.60 3kdm n GLY 132 Ca 0.06 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 3kdm n GLY 132 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kdm s THR 133 N -2.00 0.05 -0.21 2.61 2.01 -1.21 -1.27 115.64 115.62 3kdm s THR 133 Ca 0.00 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.56 3kdm s THR 133 Cb 0.00 -0.42 0.02 0.00 0.01 0.00 0.00 72.50 72.11 3kdm s THR 133 CO 0.00 -0.24 -0.14 0.00 -0.69 0.00 0.00 174.62 173.55 3kdm s ALA 134 N -0.91 2.50 -0.22 7.40 0.00 -0.35 -3.79 121.76 126.39 3kdm s ALA 134 Ca -0.10 -1.34 -0.09 0.00 0.00 0.00 0.00 51.96 50.43 3kdm s ALA 134 Cb -0.05 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 3kdm s ALA 134 CO 0.02 -0.58 0.11 -1.12 0.00 0.00 0.00 175.76 174.18 3kdm s SER 135 N 1.29 5.79 -0.13 0.00 0.01 -1.26 -1.17 113.70 118.23 3kdm s SER 135 Ca 0.02 0.06 -0.01 0.00 1.31 0.00 0.00 55.95 57.32 3kdm s SER 135 Cb -0.15 -2.02 -0.02 0.00 0.21 0.00 0.00 66.02 64.03 3kdm s SER 135 CO -0.09 0.09 -0.08 -0.69 0.41 0.00 0.00 173.24 172.88 3kdm s VAL 136 N 0.87 3.52 -0.12 3.43 1.01 0.91 -3.59 120.40 126.43 3kdm s VAL 136 Ca 0.06 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.56 3kdm s VAL 136 Cb -0.13 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.75 3kdm s VAL 136 CO 0.03 0.52 -0.21 -0.69 0.00 0.00 0.00 175.10 174.75 3kdm s VAL 137 N 0.14 2.29 -0.10 2.92 1.01 -0.97 0.15 120.40 125.85 3kdm s VAL 137 Ca -0.04 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.05 3kdm s VAL 137 Cb -0.14 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 3kdm s VAL 137 CO 0.04 0.55 -0.20 0.00 0.00 0.00 0.00 175.10 175.49 3kdm s LEU 139 N 0.15 3.44 -0.39 0.00 2.96 0.34 -0.60 118.68 124.59 3kdm s LEU 139 Ca -0.11 -0.10 -0.11 0.00 -0.22 0.00 0.00 54.13 53.60 3kdm s LEU 139 Cb -0.16 -1.86 0.04 0.00 0.50 0.00 0.00 46.19 44.71 3kdm s LEU 139 CO 0.06 0.12 0.22 -0.76 -1.32 0.00 0.00 176.35 174.67 3kdm s LEU 140 N 0.67 4.84 -0.21 -0.68 1.02 0.22 -1.09 118.68 123.44 3kdm s LEU 140 Ca 0.00 -1.11 -0.08 0.00 0.02 0.00 0.00 54.13 52.96 3kdm s LEU 140 Cb -0.14 -2.02 -0.04 0.00 0.02 0.00 0.00 46.19 44.01 3kdm s LEU 140 CO 0.02 -0.43 0.10 0.21 0.02 0.00 0.00 176.35 176.27 3kdm s ASN 141 N 1.70 5.69 -0.95 2.29 3.84 0.27 -0.67 114.94 127.11 3kdm s ASN 141 Ca 0.02 0.04 -0.06 0.00 0.21 0.00 0.00 52.86 53.07 3kdm s ASN 141 Cb -0.20 -2.00 -0.03 0.00 -0.55 0.00 0.00 41.25 38.46 3kdm s ASN 141 CO 0.06 0.10 0.81 0.59 -2.79 0.00 0.00 177.10 175.87 3kdm n ASN 142 N 4.04 -6.77 -4.37 -4.21 3.02 -0.93 -1.86 115.26 104.18 3kdm n ASN 142 Ca -0.16 -0.55 -0.20 0.00 -0.03 0.00 0.00 54.58 53.64 3kdm n ASN 142 Cb 0.52 -4.82 -0.10 0.00 -0.61 0.00 0.00 39.78 34.77 3kdm n ASN 142 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3kdm s PHE 143 N -3.25 1.83 -0.14 3.10 -0.71 0.53 -4.66 117.98 114.68 3kdm s PHE 143 Ca 0.29 -0.51 -0.15 0.00 -1.04 0.00 0.00 56.93 55.51 3kdm s PHE 143 Cb -0.05 -0.84 0.04 0.00 -1.21 0.00 0.00 43.02 40.95 3kdm s PHE 143 CO 0.77 0.42 0.43 -0.47 -1.34 0.00 0.00 175.22 175.03 3kdm s TYR 144 N -2.78 -0.45 0.00 3.49 5.04 -0.51 -0.08 117.35 122.06 3kdm s TYR 144 Ca 0.23 1.07 0.00 0.00 -2.44 0.00 0.00 57.07 55.93 3kdm s TYR 144 Cb -0.02 0.16 0.00 0.00 0.35 0.00 0.00 41.96 42.45 3kdm s TYR 144 CO 0.08 -0.25 0.00 -0.35 -1.34 0.00 0.00 175.55 173.69 3kdm n PRO 145 N 2.65 -0.12 0.11 4.97 -0.04 -1.26 -0.48 135.00 140.82 3kdm n PRO 145 Ca -0.14 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.31 3kdm n PRO 145 Cb 0.57 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.00 3kdm n PRO 145 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3kdm h ARG 146 N 0.00 0.00 -6.63 0.54 2.43 -1.98 -3.45 114.38 105.29 3kdm h ARG 146 Ca 0.00 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.64 3kdm h ARG 146 Cb 0.00 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.58 3kdm h ARG 146 CO 0.00 0.67 0.64 -2.00 -1.51 0.00 0.00 179.97 177.77 3kdm s GLU 147 N -2.87 4.40 0.23 0.20 -6.30 -1.26 -5.00 118.70 108.10 3kdm s GLU 147 Ca 0.03 2.00 -0.21 0.00 -2.50 0.00 0.00 54.97 54.29 3kdm s GLU 147 Cb 0.08 -3.23 0.03 0.00 0.00 0.00 0.00 34.13 31.02 3kdm s GLU 147 CO 0.77 -0.26 0.64 0.00 0.02 0.00 0.00 175.26 176.43 3kdm s ALA 148 N 0.37 -1.24 -0.01 6.30 0.00 -1.26 -4.53 121.76 121.39 3kdm s ALA 148 Ca 0.58 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.47 3kdm s ALA 148 Cb -0.35 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.63 3kdm s ALA 148 CO 0.35 -0.92 -0.10 0.15 0.00 0.00 0.00 175.76 175.24 3kdm s LYS 149 N -3.87 0.88 -0.07 0.00 -0.14 -0.55 -5.00 119.74 110.99 3kdm s LYS 149 Ca 0.08 -0.36 0.04 0.00 -1.36 0.00 0.00 55.97 54.38 3kdm s LYS 149 Cb -0.04 -0.84 -0.00 0.00 -1.68 0.00 0.00 37.83 35.27 3kdm s LYS 149 CO -0.00 0.20 -0.19 0.08 -0.76 0.00 0.00 175.35 174.67 3kdm s VAL 150 N -0.13 1.65 -0.01 3.17 1.01 -1.26 -1.65 120.40 123.19 3kdm s VAL 150 Ca 0.02 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.21 3kdm s VAL 150 Cb -0.05 -1.43 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 3kdm s VAL 150 CO -0.00 0.47 -0.09 -1.10 0.00 0.00 0.00 175.10 174.38 3kdm s GLN 151 N 0.20 0.74 -0.16 2.72 -0.21 0.21 -4.96 119.66 118.21 3kdm s GLN 151 Ca -0.10 -0.31 -0.09 0.00 0.02 0.00 0.00 55.36 54.89 3kdm s GLN 151 Cb -0.14 -0.72 -0.05 0.00 1.00 0.00 0.00 33.01 33.10 3kdm s GLN 151 CO 0.05 0.17 0.13 -1.58 -2.12 0.00 0.00 175.29 171.94 3kdm s TRP 152 N -0.13 3.50 -0.07 0.91 0.52 -1.26 0.15 118.94 122.56 3kdm s TRP 152 Ca 0.02 0.43 0.05 0.00 0.02 0.00 0.00 56.10 56.62 3kdm s TRP 152 Cb -0.04 -2.05 -0.00 0.00 -1.15 0.00 0.00 33.47 30.22 3kdm s TRP 152 CO -0.00 0.51 -0.23 0.15 0.02 0.00 0.00 176.95 177.40 3kdm s LYS 153 N -0.32 2.53 -0.19 4.98 1.02 0.77 -1.60 119.74 126.94 3kdm s LYS 153 Ca 0.11 -0.82 -0.00 0.00 0.02 0.00 0.00 55.97 55.28 3kdm s LYS 153 Cb -0.11 -2.07 0.01 0.00 -0.52 0.00 0.00 37.83 35.14 3kdm s LYS 153 CO 0.01 0.28 -0.16 0.08 -0.92 0.00 0.00 175.35 174.64 3kdm s VAL 154 N 0.06 2.43 -1.48 3.17 1.01 -0.06 -0.18 120.40 125.36 3kdm s VAL 154 Ca -0.09 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 3kdm s VAL 154 Cb -0.15 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.19 3kdm s VAL 154 CO 0.05 0.51 0.15 0.47 0.00 0.00 0.00 175.10 176.28 3kdm n ASP 155 N 4.64 0.10 -2.11 3.32 8.00 0.13 -0.46 116.55 130.16 3kdm n ASP 155 Ca -0.20 -1.24 -0.19 0.00 0.71 0.00 0.00 54.79 53.87 3kdm n ASP 155 Cb 0.50 -1.85 -0.04 0.00 -0.02 0.00 0.00 41.12 39.72 3kdm n ASP 155 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3kdm n ASN 156 N -2.82 -5.38 -4.49 -2.24 5.15 -1.26 -4.95 115.26 99.27 3kdm n ASN 156 Ca -0.30 0.18 -0.35 0.00 -0.60 0.00 0.00 54.58 53.51 3kdm n ASN 156 Cb 0.68 -4.59 -0.12 0.00 -0.53 0.00 0.00 39.78 35.22 3kdm n ASN 156 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kdm s ALA 157 N -2.85 3.14 0.08 5.20 0.00 0.39 -5.03 121.76 122.69 3kdm s ALA 157 Ca 0.00 -0.97 -0.31 0.00 0.00 0.00 0.00 51.96 50.68 3kdm s ALA 157 Cb 0.00 -1.88 -0.09 0.00 0.00 0.00 0.00 23.12 21.15 3kdm s ALA 157 CO 0.00 -0.17 1.67 -1.17 0.00 0.00 0.00 175.76 176.10 3kdm s LEU 158 N 1.03 4.37 0.43 0.00 2.96 -1.26 -0.88 118.68 125.33 3kdm s LEU 158 Ca 0.03 2.52 -0.06 0.00 -0.22 0.00 0.00 54.13 56.40 3kdm s LEU 158 Cb -0.14 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 3kdm s LEU 158 CO 0.02 -0.90 0.73 -1.10 -1.32 0.00 0.00 176.35 173.79 3kdm s GLN 159 N 2.63 3.60 -0.08 1.98 -1.52 -0.63 -4.97 119.66 120.67 3kdm s GLN 159 Ca 0.75 0.19 -0.04 0.00 -1.95 0.00 0.00 55.36 54.31 3kdm s GLN 159 Cb -0.41 -2.44 0.04 0.00 -0.22 0.00 0.00 33.01 29.99 3kdm s GLN 159 CO 0.33 -0.09 0.18 0.45 -0.25 0.00 0.00 175.29 175.91 3kdm s SER 160 N -3.77 -0.11 0.00 5.90 0.15 -1.26 -4.81 113.70 109.81 3kdm s SER 160 Ca 0.47 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.50 3kdm s SER 160 Cb -0.10 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 3kdm s SER 160 CO 0.39 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.28 3kdm n GLY 161 N 4.30 0.65 0.64 9.45 0.00 -1.26 -4.87 105.19 114.10 3kdm n GLY 161 Ca -0.25 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.82 3kdm n GLY 161 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kdm n ASN 162 N -0.07 2.43 -4.08 1.61 6.94 -1.26 -5.01 115.26 115.83 3kdm n ASN 162 Ca 0.00 -3.50 -0.19 0.00 -0.02 0.00 0.00 54.58 50.87 3kdm n ASN 162 Cb 0.03 -0.53 -0.14 0.00 -2.36 0.00 0.00 39.78 36.79 3kdm n ASN 162 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3kdm s SER 163 N -2.75 1.30 0.01 0.53 1.04 -1.26 -1.38 113.70 111.19 3kdm s SER 163 Ca 0.39 -0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.51 3kdm s SER 163 Cb 0.35 -0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.36 3kdm s SER 163 CO 0.00 0.05 -0.07 -1.10 0.98 0.00 0.00 173.24 173.10 3kdm s GLN 164 N -0.74 0.52 0.13 4.02 -0.21 -0.40 -4.93 119.66 118.04 3kdm s GLN 164 Ca 0.01 -0.38 0.09 0.00 0.02 0.00 0.00 55.36 55.10 3kdm s GLN 164 Cb -0.06 -0.45 -0.04 0.00 1.00 0.00 0.00 33.01 33.46 3kdm s GLN 164 CO 0.00 0.11 -0.19 -1.21 -2.12 0.00 0.00 175.29 171.89 3kdm s GLU 165 N -0.56 1.73 -0.02 2.91 8.01 -1.26 -0.65 118.70 128.86 3kdm s GLU 165 Ca -0.01 -1.23 0.02 0.00 0.01 0.00 0.00 54.97 53.76 3kdm s GLU 165 Cb -0.05 -2.07 0.01 0.00 -4.31 0.00 0.00 34.13 27.71 3kdm s GLU 165 CO 0.00 0.47 -0.06 0.45 0.01 0.00 0.00 175.26 176.13 3kdm s SER 166 N -2.21 0.89 -0.07 -0.19 0.15 -0.58 -4.99 113.70 106.70 3kdm s SER 166 Ca 0.18 -0.13 0.02 0.00 0.70 0.00 0.00 55.95 56.72 3kdm s SER 166 Cb -0.10 -0.28 -0.03 0.00 -1.71 0.00 0.00 66.02 63.90 3kdm s SER 166 CO 0.10 0.02 -0.11 0.54 1.20 0.00 0.00 173.24 174.99 3kdm s VAL 167 N 0.37 3.32 0.77 4.45 0.11 -1.26 -0.85 120.40 127.31 3kdm s VAL 167 Ca -0.05 -0.62 -0.12 0.00 -2.93 0.00 0.00 61.98 58.27 3kdm s VAL 167 Cb -0.09 -2.34 0.05 0.00 -1.53 0.00 0.00 36.38 32.48 3kdm s VAL 167 CO 0.00 0.59 1.11 0.42 -3.33 0.00 0.00 175.10 173.89 3kdm s THR 168 N -0.65 3.06 0.46 5.04 -4.23 0.08 -5.00 115.64 114.40 3kdm s THR 168 Ca 0.10 0.34 -0.22 0.00 -1.18 0.00 0.00 61.69 60.73 3kdm s THR 168 Cb -0.11 -3.23 -0.08 0.00 1.34 0.00 0.00 72.50 70.42 3kdm s THR 168 CO 0.01 -0.45 1.12 -1.61 -0.54 0.00 0.00 174.62 173.15 3kdm s GLU 169 N -5.30 3.80 0.10 3.99 0.41 -1.26 -4.64 118.70 115.79 3kdm s GLU 169 Ca 0.60 1.64 -0.36 0.00 -0.41 0.00 0.00 54.97 56.44 3kdm s GLU 169 Cb -0.13 -2.34 -0.16 0.00 -1.78 0.00 0.00 34.13 29.72 3kdm s GLU 169 CO 0.52 -0.49 1.34 0.94 -0.49 0.00 0.00 175.26 177.09 3kdm n GLN 170 N -0.56 1.22 -2.01 1.61 7.27 -1.26 -4.81 117.38 118.83 3kdm n GLN 170 Ca 0.08 0.44 -0.41 0.00 0.07 0.00 0.00 57.00 57.17 3kdm n GLN 170 Cb 0.49 -2.08 -0.02 0.00 2.41 0.00 0.00 30.24 31.04 3kdm n GLN 170 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3kdm s ASP 171 N 0.47 6.65 0.00 1.69 -1.08 0.14 -4.89 116.67 119.65 3kdm s ASP 171 Ca 0.83 2.71 0.26 0.00 -0.52 0.00 0.00 52.55 55.83 3kdm s ASP 171 Cb -0.93 -2.63 1.18 0.00 -1.46 0.00 0.00 42.92 39.08 3kdm s ASP 171 CO 0.47 -0.69 1.86 -1.54 0.52 0.00 0.00 175.17 175.79 3kdm n SER 172 N 1.87 0.00 -0.09 -0.34 3.41 -1.26 -1.53 113.62 115.68 3kdm n SER 172 Ca 0.05 0.34 -0.17 0.00 -0.26 0.00 0.00 58.87 58.83 3kdm n SER 172 Cb 0.40 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 63.86 3kdm n SER 172 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kdm n LYS 173 N -1.44 0.46 0.00 4.33 4.76 -1.26 -2.97 118.16 122.04 3kdm n LYS 173 Ca 0.08 0.20 0.09 0.00 -2.87 0.00 0.00 58.31 55.81 3kdm n LYS 173 Cb 0.28 -1.29 0.07 0.00 -1.84 0.00 0.00 35.03 32.25 3kdm n LYS 173 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3kdm n ASP 174 N -4.15 2.50 -1.84 4.39 5.68 -1.25 -4.87 116.55 117.00 3kdm n ASP 174 Ca -0.30 -1.75 -0.20 0.00 -0.50 0.00 0.00 54.79 52.05 3kdm n ASP 174 Cb 0.64 0.03 -0.05 0.00 -1.14 0.00 0.00 41.12 40.60 3kdm n ASP 174 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3kdm n SER 175 N 0.97 -5.47 -4.97 -1.12 7.64 -0.58 -4.96 113.62 105.13 3kdm n SER 175 Ca 0.11 0.25 -0.19 0.00 1.01 0.00 0.00 58.87 60.04 3kdm n SER 175 Cb 0.46 -4.60 0.00 0.00 -1.01 0.00 0.00 64.21 59.06 3kdm n SER 175 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3kdm s THR 176 N -2.84 2.75 0.24 0.44 -4.23 -1.26 -4.65 115.64 106.08 3kdm s THR 176 Ca 0.00 -1.12 0.11 0.00 -1.18 0.00 0.00 61.69 59.50 3kdm s THR 176 Cb 0.00 -2.86 -0.05 0.00 1.34 0.00 0.00 72.50 70.93 3kdm s THR 176 CO 0.00 0.00 -0.13 -0.31 -0.54 0.00 0.00 174.62 173.64 3kdm s TYR 177 N -2.44 2.47 0.11 3.99 2.02 0.89 -0.69 117.35 123.71 3kdm s TYR 177 Ca 0.53 -0.28 0.05 0.00 -0.37 0.00 0.00 57.07 57.00 3kdm s TYR 177 Cb -0.07 -1.13 -0.04 0.00 -0.40 0.00 0.00 41.96 40.32 3kdm s TYR 177 CO 0.32 0.61 -0.13 -1.12 -1.57 0.00 0.00 175.55 173.66 3kdm s SER 178 N -3.25 1.81 -0.02 2.29 0.01 -1.26 -0.35 113.70 112.92 3kdm s SER 178 Ca 0.28 -0.80 0.02 0.00 1.31 0.00 0.00 55.95 56.75 3kdm s SER 178 Cb -0.07 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.13 3kdm s SER 178 CO 0.15 -0.18 -0.06 -0.22 0.41 0.00 0.00 173.24 173.34 3kdm s LEU 179 N -2.42 1.73 -0.08 2.44 2.96 0.15 -0.74 118.68 122.72 3kdm s LEU 179 Ca 0.07 -0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 53.82 3kdm s LEU 179 Cb -0.04 -0.42 -0.04 0.00 0.50 0.00 0.00 46.19 46.19 3kdm s LEU 179 CO 0.02 0.03 0.05 -0.94 -1.32 0.00 0.00 176.35 174.19 3kdm s SER 180 N 0.28 5.58 -0.07 3.68 1.04 -0.03 -0.61 113.70 123.56 3kdm s SER 180 Ca -0.04 0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.66 3kdm s SER 180 Cb -0.08 -1.64 0.00 0.00 0.10 0.00 0.00 66.02 64.40 3kdm s SER 180 CO 0.00 0.37 -0.20 -0.55 0.98 0.00 0.00 173.24 173.84 3kdm s SER 181 N -1.05 2.56 -0.13 7.02 0.15 0.23 -1.53 113.70 120.96 3kdm s SER 181 Ca 0.15 -0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.37 3kdm s SER 181 Cb -0.12 -0.98 0.02 0.00 -1.71 0.00 0.00 66.02 63.23 3kdm s SER 181 CO 0.04 0.14 -0.16 -0.89 1.20 0.00 0.00 173.24 173.58 3kdm s THR 182 N 0.25 1.65 -0.24 6.45 2.01 0.18 -1.20 115.64 124.73 3kdm s THR 182 Ca -0.12 -0.71 -0.08 0.00 0.31 0.00 0.00 61.69 61.09 3kdm s THR 182 Cb -0.15 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 3kdm s THR 182 CO 0.05 0.47 0.10 -0.22 -0.69 0.00 0.00 174.62 174.34 3kdm s LEU 183 N 1.19 3.68 -0.15 4.42 2.96 0.12 -1.27 118.68 129.63 3kdm s LEU 183 Ca -0.01 -0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 3kdm s LEU 183 Cb -0.14 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 3kdm s LEU 183 CO -0.06 0.00 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.99 3kdm s THR 184 N 1.40 3.30 0.11 3.68 2.01 -0.48 -0.06 115.64 125.60 3kdm s THR 184 Ca 0.06 -0.57 0.06 0.00 0.31 0.00 0.00 61.69 61.55 3kdm s THR 184 Cb -0.15 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 3kdm s THR 184 CO 0.05 0.50 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.58 3kdm s LEU 185 N 0.49 2.38 0.58 4.42 1.43 -0.32 -4.88 118.68 122.78 3kdm s LEU 185 Ca -0.07 -0.77 -0.19 0.00 -1.03 0.00 0.00 54.13 52.06 3kdm s LEU 185 Cb -0.15 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.47 3kdm s LEU 185 CO 0.04 -0.12 1.22 -0.94 0.23 0.00 0.00 176.35 176.77 3kdm s SER 186 N -2.31 5.27 0.45 2.29 1.04 -1.26 -1.21 113.70 117.98 3kdm s SER 186 Ca 0.07 2.42 0.12 0.00 0.48 0.00 0.00 55.95 59.03 3kdm s SER 186 Cb -0.06 -2.60 1.03 0.00 0.10 0.00 0.00 66.02 64.49 3kdm s SER 186 CO 0.03 -1.54 2.07 0.50 0.98 0.00 0.00 173.24 175.28 3kdm h LYS 187 N 1.03 0.23 -0.37 4.02 3.64 -1.48 -1.18 116.57 122.46 3kdm h LYS 187 Ca -0.50 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3kdm h LYS 187 Cb 1.29 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 3kdm h LYS 187 CO 0.56 0.20 0.23 0.00 -2.27 0.00 0.00 179.45 178.16 3kdm h ALA 188 N 1.84 0.47 -0.59 5.00 0.00 -1.91 -1.44 119.26 122.63 3kdm h ALA 188 Ca 0.06 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3kdm h ALA 188 Cb 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3kdm h ALA 188 CO -0.01 -0.04 0.09 -0.44 0.00 0.00 0.00 179.25 178.86 3kdm h ASP 189 N 0.49 0.91 0.07 0.00 3.32 -1.63 -2.68 116.42 116.89 3kdm h ASP 189 Ca 0.13 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3kdm h ASP 189 Cb -0.01 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 3kdm h ASP 189 CO -0.03 0.91 -0.07 0.22 -1.72 0.00 0.00 179.24 178.56 3kdm h TYR 190 N 0.90 0.00 0.00 4.55 3.20 -1.04 -2.43 116.97 122.15 3kdm h TYR 190 Ca 0.18 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3kdm h TYR 190 Cb 0.40 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.67 3kdm h TYR 190 CO 0.03 0.07 0.00 0.93 -1.64 0.00 0.00 178.16 177.54 3kdm h GLU 191 N 0.00 0.00 0.00 1.82 4.39 -0.95 -3.33 114.58 116.52 3kdm h GLU 191 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kdm h GLU 191 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3kdm h GLU 191 CO 0.01 0.00 -0.38 1.57 -1.16 0.00 0.00 179.01 179.05 3kdm h LYS 192 N 0.00 0.00 -5.50 2.33 2.10 -1.14 -3.47 116.57 110.88 3kdm h LYS 192 Ca 0.00 0.00 -0.43 0.00 -2.00 0.00 0.00 60.65 58.22 3kdm h LYS 192 Cb 0.88 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.06 3kdm h LYS 192 CO 0.00 0.00 -0.74 -1.01 -2.00 0.00 0.00 179.45 175.70 3kdm s HIS 193 N -3.16 1.62 -0.11 0.07 3.76 -1.24 -5.07 115.29 111.16 3kdm s HIS 193 Ca 0.07 -0.59 0.04 0.00 -0.15 0.00 0.00 55.06 54.43 3kdm s HIS 193 Cb 0.12 -0.77 -0.09 0.00 1.11 0.00 0.00 32.58 32.94 3kdm s HIS 193 CO 0.68 0.30 -0.05 1.17 -0.85 0.00 0.00 174.74 175.99 3kdm n LYS 194 N -0.23 1.18 -3.61 1.40 4.81 -1.26 -4.77 118.16 115.68 3kdm n LYS 194 Ca -0.09 0.04 -0.39 0.00 -0.87 0.00 0.00 58.31 56.99 3kdm n LYS 194 Cb 0.60 -1.24 -0.11 0.00 0.02 0.00 0.00 35.03 34.30 3kdm n LYS 194 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3kdm s VAL 195 N -2.23 4.87 -0.21 3.15 1.01 -1.26 0.44 120.40 126.17 3kdm s VAL 195 Ca -0.11 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 3kdm s VAL 195 Cb 0.04 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 3kdm s VAL 195 CO 0.32 0.05 -0.02 -0.31 0.00 0.00 0.00 175.10 175.13 3kdm s TYR 196 N 1.66 2.99 -0.01 5.22 2.02 -0.77 0.18 117.35 128.63 3kdm s TYR 196 Ca 0.05 -0.68 0.03 0.00 -0.37 0.00 0.00 57.07 56.10 3kdm s TYR 196 Cb -0.17 -2.09 -0.01 0.00 -0.40 0.00 0.00 41.96 39.29 3kdm s TYR 196 CO 0.08 -0.39 -0.10 0.00 -1.57 0.00 0.00 175.55 173.57 3kdm s ALA 197 N 1.24 0.84 -0.23 3.71 0.00 0.75 -1.87 121.76 126.20 3kdm s ALA 197 Ca 0.03 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.55 3kdm s ALA 197 Cb -0.14 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.76 3kdm s ALA 197 CO -0.00 0.19 -0.07 0.00 0.00 0.00 0.00 175.76 175.88 3kdm s GLU 199 N 1.38 3.67 -0.11 0.00 2.12 0.40 -1.50 118.70 124.65 3kdm s GLU 199 Ca 0.03 -0.51 0.01 0.00 0.36 0.00 0.00 54.97 54.87 3kdm s GLU 199 Cb -0.15 -3.03 0.02 0.00 0.26 0.00 0.00 34.13 31.23 3kdm s GLU 199 CO -0.05 0.12 -0.13 0.08 -0.54 0.00 0.00 175.26 174.74 3kdm s VAL 200 N 0.70 1.37 0.04 3.70 1.01 0.55 0.67 120.40 128.43 3kdm s VAL 200 Ca -0.01 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.51 3kdm s VAL 200 Cb -0.14 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 3kdm s VAL 200 CO 0.02 0.42 -0.25 0.42 0.00 0.00 0.00 175.10 175.71 3kdm s THR 201 N 1.11 2.02 0.12 3.92 -4.23 -0.66 -0.48 115.64 117.46 3kdm s THR 201 Ca -0.05 -1.32 -0.15 0.00 -1.18 0.00 0.00 61.69 59.00 3kdm s THR 201 Cb -0.14 -1.73 0.03 0.00 1.34 0.00 0.00 72.50 71.99 3kdm s THR 201 CO -0.03 0.35 0.37 -2.28 -0.54 0.00 0.00 174.62 172.49 3kdm s HIS 202 N -0.78 -0.12 0.52 3.99 2.46 -1.26 -1.48 115.29 118.62 3kdm s HIS 202 Ca 0.11 -0.22 0.35 0.00 0.47 0.00 0.00 55.06 55.76 3kdm s HIS 202 Cb -0.10 0.20 1.90 0.00 -0.13 0.00 0.00 32.58 34.45 3kdm s HIS 202 CO 0.02 -0.69 2.22 0.37 -2.47 0.00 0.00 174.74 174.19 3kdm h GLN 203 N 2.42 0.00 -0.00 2.88 4.15 -1.93 -1.69 115.11 120.94 3kdm h GLN 203 Ca -0.34 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.08 3kdm h GLN 203 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 3kdm h GLN 203 CO 0.48 0.03 -0.09 0.41 -1.93 0.00 0.00 178.83 177.73 3kdm n GLY 204 N -0.93 -1.39 3.34 2.39 0.00 -1.26 -4.62 105.19 102.73 3kdm n GLY 204 Ca -0.02 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 3kdm n GLY 204 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kdm s LEU 205 N -2.91 3.39 -0.02 0.99 1.43 -0.64 -4.61 118.68 116.31 3kdm s LEU 205 Ca 0.16 -0.51 -0.24 0.00 -1.03 0.00 0.00 54.13 52.52 3kdm s LEU 205 Cb 0.19 -1.83 -0.18 0.00 0.03 0.00 0.00 46.19 44.40 3kdm s LEU 205 CO 0.55 -0.10 1.13 0.28 0.23 0.00 0.00 176.35 178.44 3kdm h SER 206 N 8.18 -0.15 -3.36 2.29 0.02 -1.81 -3.41 113.55 115.31 3kdm h SER 206 Ca -0.36 -0.37 -0.66 0.00 -0.84 0.00 0.00 61.79 59.56 3kdm h SER 206 Cb 1.15 0.04 -0.17 0.00 0.14 0.00 0.00 62.40 63.55 3kdm h SER 206 CO 0.59 0.33 -0.64 -0.94 -1.14 0.00 0.00 176.83 175.04 3kdm s SER 207 N -5.46 5.07 0.33 3.07 1.04 -1.26 -5.08 113.70 111.41 3kdm s SER 207 Ca -0.14 0.04 -0.29 0.00 0.48 0.00 0.00 55.95 56.04 3kdm s SER 207 Cb 0.01 -1.56 -0.11 0.00 0.10 0.00 0.00 66.02 64.47 3kdm s SER 207 CO 0.58 0.30 1.44 -2.84 0.98 0.00 0.00 173.24 173.70 3kdm s PRO 208 N -0.42 4.21 -0.19 4.02 0.02 -1.26 -4.99 135.00 136.40 3kdm s PRO 208 Ca 0.07 2.42 -0.13 0.00 0.02 0.00 0.00 61.00 63.38 3kdm s PRO 208 Cb -0.12 -3.03 -0.05 0.00 0.02 0.00 0.00 34.50 31.32 3kdm s PRO 208 CO 0.02 -0.42 0.26 0.08 -0.33 0.00 0.00 177.00 176.62 3kdm s VAL 209 N -0.79 5.31 -0.19 3.83 1.01 0.37 -4.84 120.40 125.11 3kdm s VAL 209 Ca 0.54 0.46 -0.02 0.00 0.00 0.00 0.00 61.98 62.96 3kdm s VAL 209 Cb -0.44 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 3kdm s VAL 209 CO 0.55 0.37 -0.09 -0.89 0.00 0.00 0.00 175.10 175.03 3kdm s THR 210 N 0.70 3.14 -0.10 3.92 2.01 -1.25 -0.33 115.64 123.72 3kdm s THR 210 Ca 0.14 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 61.53 3kdm s THR 210 Cb -0.13 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 3kdm s THR 210 CO 0.04 0.47 -0.01 -0.54 -0.69 0.00 0.00 174.62 173.88 3kdm s LYS 211 N 1.10 3.09 0.23 4.92 -0.14 -0.57 -4.94 119.74 123.43 3kdm s LYS 211 Ca 0.01 -0.44 -0.08 0.00 -1.36 0.00 0.00 55.97 54.09 3kdm s LYS 211 Cb -0.15 -2.80 -0.02 0.00 -1.68 0.00 0.00 37.83 33.19 3kdm s LYS 211 CO -0.02 0.61 0.34 -1.54 -0.76 0.00 0.00 175.35 173.99 3kdm s SER 212 N -0.64 0.00 0.07 2.83 1.04 -1.26 -1.27 113.70 114.47 3kdm s SER 212 Ca 0.10 -1.11 -0.13 0.00 0.48 0.00 0.00 55.95 55.30 3kdm s SER 212 Cb -0.12 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.52 3kdm s SER 212 CO 0.02 -1.02 0.29 0.72 0.98 0.00 0.00 173.24 174.23 3kdm s PHE 213 N -4.07 -0.05 -0.24 5.02 -0.71 -0.78 -5.00 117.98 112.15 3kdm s PHE 213 Ca 0.29 -0.19 -0.11 0.00 -1.04 0.00 0.00 56.93 55.88 3kdm s PHE 213 Cb 0.02 0.08 -0.05 0.00 -1.21 0.00 0.00 43.02 41.86 3kdm s PHE 213 CO 0.10 -0.54 0.18 -0.80 -1.34 0.00 0.00 175.22 172.82 3kdm s ASN 214 N -2.38 6.14 0.14 1.98 0.02 -1.26 -1.85 114.94 117.74 3kdm s ASN 214 Ca -0.01 0.14 -0.34 0.00 -1.02 0.00 0.00 52.86 51.63 3kdm s ASN 214 Cb 0.01 -2.12 -0.14 0.00 0.02 0.00 0.00 41.25 39.02 3kdm s ASN 214 CO -0.07 0.05 1.54 -1.14 0.02 0.00 0.00 177.10 177.50 3kdm n ARG 215 N 4.33 1.95 0.00 -0.60 0.63 0.17 -2.93 116.66 120.21 3kdm n ARG 215 Ca -0.14 0.71 0.00 0.00 -0.92 0.00 0.00 57.85 57.49 3kdm n ARG 215 Cb 0.52 -2.45 0.00 0.00 0.45 0.00 0.00 32.46 30.98 3kdm n ARG 215 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kdm n GLY 216 N 3.26 2.17 1.65 5.14 0.00 -1.26 -4.96 105.19 111.19 3kdm n GLY 216 Ca 0.17 -0.65 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 3kdm n GLY 216 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kdm n GLU 217 N 0.00 0.00 0.00 1.61 4.71 -1.15 -5.28 120.64 120.53 3kdm n GLU 217 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3kdm n GLU 217 Cb 0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 31.44 29.89 3kdm n GLU 217 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22