#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 4.39 -0.17 0.00 1.43 -1.10 -4.83 118.68 118.41 3kdm s LEU 4 Ca 0.00 2.69 -0.29 0.00 -1.03 0.00 0.00 54.13 55.50 3kdm s LEU 4 Cb 0.00 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 3kdm s LEU 4 CO 0.00 -0.66 1.18 -0.89 0.23 0.00 0.00 176.35 176.21 3kdm s THR 5 N -0.36 4.41 0.13 5.49 2.01 -0.51 -0.75 115.64 126.06 3kdm s THR 5 Ca 0.56 1.71 0.09 0.00 0.31 0.00 0.00 61.69 64.36 3kdm s THR 5 Cb -0.41 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 67.96 3kdm s THR 5 CO 0.47 -0.12 -0.21 -1.10 -0.69 0.00 0.00 174.62 172.97 3kdm s GLN 6 N 3.18 1.22 0.50 4.92 -0.21 -1.26 0.04 119.66 128.04 3kdm s GLN 6 Ca 0.52 -1.28 -0.23 0.00 0.02 0.00 0.00 55.36 54.39 3kdm s GLN 6 Cb -0.20 -1.43 -0.06 0.00 1.00 0.00 0.00 33.01 32.31 3kdm s GLN 6 CO 0.13 0.32 1.32 -1.25 -2.12 0.00 0.00 175.29 173.70 3kdm s PRO 7 N -2.25 3.41 0.23 2.91 0.05 -1.26 -4.85 135.00 133.24 3kdm s PRO 7 Ca 0.11 2.16 -0.07 0.00 0.05 0.00 0.00 61.00 63.24 3kdm s PRO 7 Cb -0.08 -2.39 0.24 0.00 0.05 0.00 0.00 34.50 32.32 3kdm s PRO 7 CO 0.05 -0.95 1.89 0.00 0.05 0.00 0.00 177.00 178.05 3kdm h ALA 8 N 1.81 1.13 -2.80 8.56 0.00 -1.96 -3.36 119.26 122.63 3kdm h ALA 8 Ca -0.50 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.22 3kdm h ALA 8 Cb 1.28 -0.32 -0.22 0.00 0.00 0.00 0.00 17.79 18.53 3kdm h ALA 8 CO 0.59 0.45 -0.41 -1.54 0.00 0.00 0.00 179.25 178.34 3kdm s SER 9 N -5.94 -0.13 -0.04 0.00 1.04 -1.26 -1.51 113.70 105.86 3kdm s SER 9 Ca -0.13 0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.41 3kdm s SER 9 Cb 0.17 0.33 0.02 0.00 0.10 0.00 0.00 66.02 66.64 3kdm s SER 9 CO 0.80 -0.30 -0.04 -0.69 0.98 0.00 0.00 173.24 173.98 3kdm s VAL 10 N -0.89 0.51 0.14 5.02 1.01 -0.37 -4.91 120.40 120.91 3kdm s VAL 10 Ca -0.10 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 61.84 3kdm s VAL 10 Cb -0.05 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 3kdm s VAL 10 CO 0.02 0.22 -0.17 -0.94 0.00 0.00 0.00 175.10 174.23 3kdm s SER 11 N 0.87 2.39 0.24 3.32 1.04 -1.26 -0.98 113.70 119.32 3kdm s SER 11 Ca -0.12 -0.82 -0.22 0.00 0.48 0.00 0.00 55.95 55.27 3kdm s SER 11 Cb -0.14 -0.12 0.05 0.00 0.10 0.00 0.00 66.02 65.91 3kdm s SER 11 CO 0.00 -0.07 0.86 -0.83 0.98 0.00 0.00 173.24 174.18 3kdm s GLY 12 N -2.50 -0.04 0.26 7.32 0.00 -0.94 -4.97 107.32 106.44 3kdm s GLY 12 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.62 3kdm s GLY 12 CO 0.05 0.20 0.44 -0.56 0.00 0.00 0.00 173.10 173.23 3kdm s SER 13 N -3.01 6.35 0.29 1.64 0.01 -1.26 -0.41 113.70 117.31 3kdm s SER 13 Ca 0.13 0.37 -0.30 0.00 1.31 0.00 0.00 55.95 57.46 3kdm s SER 13 Cb -0.04 -2.00 -0.12 0.00 0.21 0.00 0.00 66.02 64.08 3kdm s SER 13 CO 0.06 -0.13 1.56 -2.65 0.41 0.00 0.00 173.24 172.49 3kdm n PRO 14 N -1.14 2.61 0.00 12.44 -0.02 -1.26 -0.87 135.00 146.75 3kdm n PRO 14 Ca -0.05 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 3kdm n PRO 14 Cb 0.55 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 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 2.01 3.39 3.58 -1.23 0.00 -0.06 -4.82 105.19 108.06 3kdm n GLY 15 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.78 0.03 -0.14 1.61 -0.21 -0.05 -4.08 119.66 116.04 3kdm s GLN 16 Ca 0.00 1.14 -0.02 0.00 0.02 0.00 0.00 55.36 56.50 3kdm s GLN 16 Cb 0.00 -1.64 -0.02 0.00 1.00 0.00 0.00 33.01 32.35 3kdm s GLN 16 CO 0.00 -3.17 -0.09 -1.12 -2.12 0.00 0.00 175.29 168.79 3kdm s SER 17 N -2.64 4.39 0.20 5.90 0.01 -1.26 0.07 113.70 120.37 3kdm s SER 17 Ca 0.67 -0.23 0.10 0.00 1.31 0.00 0.00 55.95 57.80 3kdm s SER 17 Cb -0.24 -1.67 -0.04 0.00 0.21 0.00 0.00 66.02 64.28 3kdm s SER 17 CO 0.61 0.17 -0.19 0.27 0.41 0.00 0.00 173.24 174.52 3kdm s ILE 18 N 0.31 2.03 -0.02 1.44 -4.36 -0.29 -4.98 121.20 115.33 3kdm s ILE 18 Ca -0.07 -2.09 0.03 0.00 -0.26 0.00 0.00 60.65 58.26 3kdm s ILE 18 Cb -0.15 -2.02 -0.00 0.00 1.25 0.00 0.00 42.46 41.54 3kdm s ILE 18 CO 0.04 -0.35 -0.10 -0.89 0.24 0.00 0.00 174.94 173.88 3kdm s THR 19 N -2.23 0.86 -0.17 8.37 2.01 -1.26 -0.83 115.64 122.40 3kdm s THR 19 Ca 0.21 -0.43 -0.00 0.00 0.31 0.00 0.00 61.69 61.77 3kdm s THR 19 Cb -0.05 -0.75 -0.00 0.00 0.01 0.00 0.00 72.50 71.71 3kdm s THR 19 CO 0.09 0.26 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.51 3kdm s ILE 20 N 0.01 2.73 0.42 1.82 1.01 0.59 -4.97 121.20 122.82 3kdm s ILE 20 Ca -0.00 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 59.94 3kdm s ILE 20 Cb -0.07 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.23 3kdm s ILE 20 CO 0.00 0.50 0.60 -0.94 0.00 0.00 0.00 174.94 175.11 3kdm s SER 21 N 0.94 5.79 -0.27 3.58 1.04 -1.26 -0.93 113.70 122.58 3kdm s SER 21 Ca -0.03 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.40 3kdm s SER 21 Cb -0.15 -1.24 0.16 0.00 0.10 0.00 0.00 66.02 64.89 3kdm s SER 21 CO -0.02 -0.67 0.42 0.00 0.98 0.00 0.00 173.24 173.95 3kdm s THR 23 N 2.58 4.05 0.00 0.00 2.01 0.11 -1.27 115.64 123.11 3kdm s THR 23 Ca 0.12 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.78 3kdm s THR 23 Cb -0.13 -2.92 0.00 0.00 0.01 0.00 0.00 72.50 69.46 3kdm s THR 23 CO -0.24 0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 3kdm n GLY 24 N 4.89 5.23 3.42 4.40 0.00 0.03 -1.42 105.19 121.75 3kdm n GLY 24 Ca -0.16 -1.56 -0.21 0.00 0.00 0.00 0.00 46.02 44.09 3kdm n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kdm s THR 25 N 3.31 0.87 0.64 2.61 -4.23 -1.26 -4.86 115.64 112.71 3kdm s THR 25 Ca 0.00 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 58.87 3kdm s THR 25 Cb 0.00 -2.65 0.39 0.00 1.34 0.00 0.00 72.50 71.57 3kdm s THR 25 CO 0.00 0.00 2.20 0.77 -0.54 0.00 0.00 174.62 177.05 3kdm h SER 26 N 2.12 0.00 0.30 3.99 4.64 -1.94 -0.49 113.55 122.17 3kdm h SER 26 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3kdm h SER 26 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3kdm h SER 26 CO 0.64 0.00 -0.11 -1.54 -0.87 0.00 0.00 176.83 174.95 3kdm n SER 27 N -3.27 0.56 0.00 4.97 3.41 -1.26 -2.29 113.62 115.73 3kdm n SER 27 Ca -0.02 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.90 3kdm n SER 27 Cb 0.20 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3kdm n SER 27 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kdm n ASP 28 N -0.85 0.00 -0.33 4.04 5.68 -0.35 -0.88 116.55 123.86 3kdm n ASP 28 Ca 0.15 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.49 3kdm n ASP 28 Cb 0.28 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.49 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 1.03 -0.06 2.12 2.07 -1.78 -2.08 116.25 117.55 3kdm h VAL 29 Ca 0.00 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.04 3kdm h VAL 29 Cb 0.00 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.65 3kdm h VAL 29 CO 0.00 0.19 -0.53 1.23 0.02 0.00 0.00 177.57 178.48 3kdm h GLY 30 N 1.04 0.17 -0.10 2.17 0.00 -1.32 -3.36 103.07 101.66 3kdm h GLY 30 Ca 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3kdm h GLY 30 CO -0.18 0.17 -0.47 0.61 0.00 0.00 0.00 176.54 176.67 3kdm n GLY 31 N 0.07 -0.06 3.10 4.60 0.00 -0.97 -4.79 105.19 107.14 3kdm n GLY 31 Ca -0.02 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.94 0.71 -0.67 1.61 1.51 -0.81 -5.00 117.35 112.75 3kdm s TYR 32 Ca 0.05 -0.72 0.00 0.00 -1.01 0.00 0.00 57.07 55.40 3kdm s TYR 32 Cb 0.09 -0.43 0.40 0.00 -0.11 0.00 0.00 41.96 41.91 3kdm s TYR 32 CO 0.42 -0.15 1.79 0.09 -1.11 0.00 0.00 175.55 176.60 3kdm n ASN 33 N 0.77 6.86 -2.66 2.29 3.02 -1.26 -4.61 115.26 119.67 3kdm n ASN 33 Ca -0.18 -3.80 -0.27 0.00 -0.03 0.00 0.00 54.58 50.30 3kdm n ASN 33 Cb 0.58 -0.86 -0.01 0.00 -0.61 0.00 0.00 39.78 38.87 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 -0.67 3.66 -3.48 3.10 4.02 -1.26 -3.84 117.16 118.69 3kdm n TYR 34 Ca 0.53 -3.45 -0.37 0.00 -0.01 0.00 0.00 57.90 54.61 3kdm n TYR 34 Cb 0.51 -0.24 -0.07 0.00 -0.02 0.00 0.00 39.34 39.52 3kdm n TYR 34 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3kdm s VAL 35 N -5.14 5.28 0.22 -0.72 1.01 -1.26 -3.02 120.40 116.77 3kdm s VAL 35 Ca 0.48 0.63 0.10 0.00 0.00 0.00 0.00 61.98 63.19 3kdm s VAL 35 Cb 0.35 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3kdm s VAL 35 CO -0.17 0.37 -0.09 -0.44 0.00 0.00 0.00 175.10 174.76 3kdm s SER 36 N 0.55 4.18 -0.03 3.32 0.01 -0.51 -0.65 113.70 120.57 3kdm s SER 36 Ca 0.18 -0.69 0.03 0.00 1.31 0.00 0.00 55.95 56.79 3kdm s SER 36 Cb -0.13 -0.66 -0.00 0.00 0.21 0.00 0.00 66.02 65.44 3kdm s SER 36 CO 0.05 0.06 -0.12 0.26 0.41 0.00 0.00 173.24 173.90 3kdm s TRP 37 N -2.00 1.23 0.09 2.43 0.52 0.15 -0.38 118.94 120.98 3kdm s TRP 37 Ca 0.27 -0.31 0.10 0.00 0.02 0.00 0.00 56.10 56.18 3kdm s TRP 37 Cb -0.07 -0.85 -0.03 0.00 -1.15 0.00 0.00 33.47 31.37 3kdm s TRP 37 CO 0.16 -0.11 -0.26 0.71 0.02 0.00 0.00 176.95 177.48 3kdm s TYR 38 N 0.06 2.22 -0.14 -1.98 1.51 0.11 0.14 117.35 119.26 3kdm s TYR 38 Ca -0.02 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.63 3kdm s TYR 38 Cb -0.09 -1.25 -0.02 0.00 -0.11 0.00 0.00 41.96 40.49 3kdm s TYR 38 CO 0.01 0.24 -0.08 -1.14 -1.11 0.00 0.00 175.55 173.46 3kdm s GLN 39 N -1.72 3.51 -0.16 -0.62 0.74 -0.16 -1.36 119.66 119.88 3kdm s GLN 39 Ca 0.12 -0.60 -0.00 0.00 0.05 0.00 0.00 55.36 54.93 3kdm s GLN 39 Cb -0.10 -2.77 0.04 0.00 1.10 0.00 0.00 33.01 31.28 3kdm s GLN 39 CO 0.04 0.24 -0.06 -1.14 -0.55 0.00 0.00 175.29 173.82 3kdm s GLN 40 N 0.32 1.55 0.42 1.67 0.74 0.58 -0.67 119.66 124.26 3kdm s GLN 40 Ca -0.07 -0.53 -0.19 0.00 0.05 0.00 0.00 55.36 54.62 3kdm s GLN 40 Cb -0.15 -2.01 -0.10 0.00 1.10 0.00 0.00 33.01 31.84 3kdm s GLN 40 CO 0.04 -0.41 0.91 -1.01 -0.55 0.00 0.00 175.29 174.28 3kdm s HIS 41 N 1.61 3.34 -0.20 1.67 3.76 -1.26 -0.71 115.29 123.49 3kdm s HIS 41 Ca 0.01 1.51 -0.42 0.00 -0.15 0.00 0.00 55.06 56.01 3kdm s HIS 41 Cb -0.15 -2.78 -0.19 0.00 1.11 0.00 0.00 32.58 30.57 3kdm s HIS 41 CO -0.08 -0.09 1.38 -2.30 -0.85 0.00 0.00 174.74 172.80 3kdm n PRO 42 N -0.68 0.30 -0.97 8.40 -0.02 -1.26 -1.63 135.00 139.14 3kdm n PRO 42 Ca 0.06 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3kdm n PRO 42 Cb 0.54 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 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 2.87 0.43 3.71 -1.23 0.00 -1.26 -5.01 105.19 104.69 3kdm n GLY 43 Ca 0.25 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.53 2.14 0.49 1.61 1.02 -0.65 -5.13 119.74 118.69 3kdm s LYS 44 Ca 0.00 -1.96 -0.21 0.00 0.02 0.00 0.00 55.97 53.82 3kdm s LYS 44 Cb 0.00 -1.85 -0.07 0.00 -0.52 0.00 0.00 37.83 35.38 3kdm s LYS 44 CO 0.00 -0.12 1.10 0.00 -0.92 0.00 0.00 175.35 175.41 3kdm s ALA 45 N -2.65 2.86 0.90 5.17 0.00 -1.26 -4.70 121.76 122.07 3kdm s ALA 45 Ca 0.37 0.77 -0.10 0.00 0.00 0.00 0.00 51.96 53.00 3kdm s ALA 45 Cb 0.06 -3.32 0.13 0.00 0.00 0.00 0.00 23.12 19.99 3kdm s ALA 45 CO 0.20 -0.54 1.13 -2.14 0.00 0.00 0.00 175.76 174.40 3kdm s PRO 46 N -3.04 1.18 -0.03 0.00 0.02 -1.26 -4.66 135.00 127.21 3kdm s PRO 46 Ca 0.67 1.40 0.05 0.00 0.02 0.00 0.00 61.00 63.13 3kdm s PRO 46 Cb -0.23 -1.76 -0.01 0.00 0.02 0.00 0.00 34.50 32.53 3kdm s PRO 46 CO 0.27 -2.47 -0.17 0.21 -0.33 0.00 0.00 177.00 174.51 3kdm s LYS 47 N -4.71 1.64 -0.33 5.54 2.20 0.15 -4.95 119.74 119.29 3kdm s LYS 47 Ca 0.65 -0.61 -0.29 0.00 -0.36 0.00 0.00 55.97 55.37 3kdm s LYS 47 Cb -0.21 -1.48 0.01 0.00 -1.51 0.00 0.00 37.83 34.64 3kdm s LYS 47 CO 0.58 0.28 1.21 -1.17 -0.36 0.00 0.00 175.35 175.90 3kdm s LEU 48 N -0.10 3.86 -0.19 5.43 2.96 -1.26 -0.99 118.68 128.39 3kdm s LEU 48 Ca -0.00 1.05 0.10 0.00 -0.22 0.00 0.00 54.13 55.06 3kdm s LEU 48 Cb -0.10 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.82 3kdm s LEU 48 CO 0.01 -1.05 0.10 0.23 -1.32 0.00 0.00 176.35 174.32 3kdm n MET 49 N 7.27 0.68 -3.74 1.98 2.81 0.12 -4.70 117.12 121.54 3kdm n MET 49 Ca 0.14 0.11 -0.13 0.00 -1.81 0.00 0.00 57.70 56.01 3kdm n MET 49 Cb 0.47 -1.58 -0.11 0.00 -0.71 0.00 0.00 33.22 31.29 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 -2.52 -0.01 0.19 2.02 -1.09 -1.01 -4.15 121.20 114.63 3kdm s ILE 50 Ca -0.18 0.03 0.04 0.00 -2.23 0.00 0.00 60.65 58.31 3kdm s ILE 50 Cb 0.07 -0.51 -0.05 0.00 -1.58 0.00 0.00 42.46 40.39 3kdm s ILE 50 CO 0.75 0.01 -0.06 -0.72 -1.23 0.00 0.00 174.94 173.69 3kdm s TYR 51 N 0.47 1.44 -1.48 3.97 1.13 -0.18 -0.67 117.35 122.04 3kdm s TYR 51 Ca -0.02 -0.81 -0.12 0.00 -1.41 0.00 0.00 57.07 54.70 3kdm s TYR 51 Cb -0.04 -0.78 0.06 0.00 -1.10 0.00 0.00 41.96 40.10 3kdm s TYR 51 CO -0.02 0.06 1.02 0.41 -2.51 0.00 0.00 175.55 174.51 3kdm n GLY 52 N -0.32 -0.51 5.00 5.49 0.00 -1.00 -1.21 105.19 112.64 3kdm n GLY 52 Ca -0.08 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.76 0.00 -0.13 1.61 0.31 0.18 -4.21 118.33 111.32 3kdm n VAL 53 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3kdm n VAL 53 Cb 0.54 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 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 -3.14 2.52 -2.24 -1.20 -3.25 114.28 106.96 3kdm n THR 54 Ca 0.00 -0.39 -0.39 0.00 -2.27 0.00 0.00 64.05 61.00 3kdm n THR 54 Cb 0.00 1.13 -0.05 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.30 6.94 -0.29 3.42 0.02 -0.35 -4.52 114.94 119.86 3kdm s ASN 55 Ca 0.00 1.12 -0.10 0.00 -1.02 0.00 0.00 52.86 52.86 3kdm s ASN 55 Cb 0.00 -2.38 -0.03 0.00 0.02 0.00 0.00 41.25 38.86 3kdm s ASN 55 CO 0.00 -0.02 0.17 -0.13 0.02 0.00 0.00 177.10 177.14 3kdm s ARG 56 N 0.40 3.69 0.26 -0.60 0.52 -1.26 -1.01 118.95 120.95 3kdm s ARG 56 Ca 0.33 -0.49 -0.28 0.00 -0.52 0.00 0.00 55.73 54.78 3kdm s ARG 56 Cb -0.18 -3.60 -0.15 0.00 0.52 0.00 0.00 34.95 31.55 3kdm s ARG 56 CO 0.17 -0.27 0.78 -2.30 0.02 0.00 0.00 175.30 173.69 3kdm n PRO 57 N 5.02 0.75 -1.64 3.54 -0.02 -1.26 -4.79 135.00 136.61 3kdm n PRO 57 Ca -0.14 0.26 -0.58 0.00 -2.02 0.00 0.00 63.50 61.03 3kdm n PRO 57 Cb 0.51 -1.47 -0.07 0.00 -0.02 0.00 0.00 33.50 32.44 3kdm n PRO 57 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kdm n SER 58 N 1.55 1.53 0.00 2.55 2.88 -1.26 -1.46 113.62 119.41 3kdm n SER 58 Ca 0.13 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 3kdm n SER 58 Cb 0.29 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 3kdm n SER 58 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kdm n GLY 59 N 3.13 2.66 3.73 0.46 0.00 -1.26 -5.04 105.19 108.86 3kdm n GLY 59 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.53 3.47 0.25 1.61 1.01 -0.54 -4.92 120.40 118.75 3kdm s VAL 60 Ca 0.00 1.14 -0.31 0.00 0.00 0.00 0.00 61.98 62.81 3kdm s VAL 60 Cb 0.00 -3.73 -0.13 0.00 0.00 0.00 0.00 36.38 32.53 3kdm s VAL 60 CO 0.00 0.14 1.53 -0.24 0.00 0.00 0.00 175.10 176.52 3kdm n SER 61 N 3.19 3.32 0.00 3.32 2.88 -1.26 -4.83 113.62 120.25 3kdm n SER 61 Ca 0.08 1.13 0.04 0.00 -1.33 0.00 0.00 58.87 58.78 3kdm n SER 61 Cb 0.44 -1.50 0.22 0.00 -0.75 0.00 0.00 64.21 62.61 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 2.45 0.00 0.23 -3.46 0.23 -1.26 -1.76 115.26 111.69 3kdm n ASN 62 Ca 0.11 -0.25 0.11 0.00 -0.53 0.00 0.00 54.58 54.03 3kdm n ASN 62 Cb 0.33 0.00 0.52 0.00 -2.08 0.00 0.00 39.78 38.55 3kdm n ASN 62 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 3kdm h ARG 63 N 0.00 0.00 -5.43 -3.83 3.08 -1.89 -3.42 114.38 102.89 3kdm h ARG 63 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 3kdm h ARG 63 Cb 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 29.94 3kdm h ARG 63 CO 0.00 0.20 -0.16 -0.06 -1.07 0.00 0.00 179.97 178.88 3kdm s PHE 64 N -3.74 3.36 0.01 3.04 0.40 -0.72 -0.33 117.98 120.00 3kdm s PHE 64 Ca -0.00 0.64 0.03 0.00 -0.60 0.00 0.00 56.93 57.01 3kdm s PHE 64 Cb 0.11 -2.57 -0.01 0.00 0.51 0.00 0.00 43.02 41.05 3kdm s PHE 64 CO 0.62 -0.05 -0.10 -1.54 0.70 0.00 0.00 175.22 174.85 3kdm s SER 65 N 1.12 1.20 0.12 1.36 1.04 0.05 -4.96 113.70 113.64 3kdm s SER 65 Ca 0.20 -0.29 0.06 0.00 0.48 0.00 0.00 55.95 56.41 3kdm s SER 65 Cb -0.15 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.83 3kdm s SER 65 CO 0.09 0.06 -0.00 -0.83 0.98 0.00 0.00 173.24 173.53 3kdm s GLY 66 N -0.61 1.83 0.33 7.32 0.00 -1.26 -0.64 107.32 114.28 3kdm s GLY 66 Ca 0.01 -1.22 -0.18 0.00 0.00 0.00 0.00 44.72 43.33 3kdm s GLY 66 CO 0.00 -1.21 0.78 -1.35 0.00 0.00 0.00 173.10 171.32 3kdm s SER 67 N -2.56 -0.11 0.16 1.64 1.04 -0.47 -4.31 113.70 109.09 3kdm s SER 67 Ca 0.26 -0.88 -0.15 0.00 0.48 0.00 0.00 55.95 55.66 3kdm s SER 67 Cb -0.11 0.78 0.02 0.00 0.10 0.00 0.00 66.02 66.81 3kdm s SER 67 CO 0.18 -1.50 0.42 -1.59 0.98 0.00 0.00 173.24 171.73 3kdm s LYS 68 N -2.99 1.19 -0.13 4.02 -2.85 -1.26 -0.13 119.74 117.58 3kdm s LYS 68 Ca 0.14 -0.86 -0.06 0.00 -1.00 0.00 0.00 55.97 54.19 3kdm s LYS 68 Cb -0.05 0.47 0.06 0.00 -2.06 0.00 0.00 37.83 36.24 3kdm s LYS 68 CO 0.09 -0.47 0.29 0.45 0.10 0.00 0.00 175.35 175.80 3kdm s SER 69 N -2.86 -0.08 1.14 0.03 0.15 0.87 -4.96 113.70 107.99 3kdm s SER 69 Ca 0.08 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.36 3kdm s SER 69 Cb 0.01 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 3kdm s SER 69 CO -0.06 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.78 3kdm n GLY 70 N 4.72 2.99 1.45 9.45 0.00 -1.26 -1.31 105.19 121.22 3kdm n GLY 70 Ca -0.17 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 45.69 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 2.34 4.02 -3.92 1.61 6.94 -1.26 -4.20 115.26 120.80 3kdm n ASN 71 Ca 0.00 -2.65 -0.27 0.00 -0.02 0.00 0.00 54.58 51.64 3kdm n ASN 71 Cb 0.00 -0.63 -0.17 0.00 -2.36 0.00 0.00 39.78 36.62 3kdm n ASN 71 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3kdm s THR 72 N -2.14 1.08 0.16 5.53 2.01 -0.43 -0.79 115.64 121.06 3kdm s THR 72 Ca 0.36 -0.32 -0.07 0.00 0.31 0.00 0.00 61.69 61.96 3kdm s THR 72 Cb 0.27 -1.09 -0.06 0.00 0.01 0.00 0.00 72.50 71.63 3kdm s THR 72 CO 0.10 0.38 0.42 0.00 -0.69 0.00 0.00 174.62 174.83 3kdm s ALA 73 N 1.69 3.72 -0.02 7.40 0.00 -0.40 -0.09 121.76 134.06 3kdm s ALA 73 Ca 0.05 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.57 3kdm s ALA 73 Cb -0.13 -2.23 -0.00 0.00 0.00 0.00 0.00 23.12 20.77 3kdm s ALA 73 CO -0.09 0.62 -0.10 -1.12 0.00 0.00 0.00 175.76 175.08 3kdm s SER 74 N -2.33 1.22 -0.19 0.00 0.01 0.81 -0.93 113.70 112.29 3kdm s SER 74 Ca 0.42 -0.19 -0.11 0.00 1.31 0.00 0.00 55.95 57.37 3kdm s SER 74 Cb -0.12 -0.26 -0.05 0.00 0.21 0.00 0.00 66.02 65.80 3kdm s SER 74 CO 0.23 0.09 0.18 -0.22 0.41 0.00 0.00 173.24 173.93 3kdm s LEU 75 N 0.04 4.22 -0.16 2.44 2.96 -0.11 -1.37 118.68 126.71 3kdm s LEU 75 Ca -0.01 0.32 0.01 0.00 -0.22 0.00 0.00 54.13 54.23 3kdm s LEU 75 Cb -0.07 -2.18 0.01 0.00 0.50 0.00 0.00 46.19 44.44 3kdm s LEU 75 CO 0.00 0.15 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.11 3kdm s THR 76 N 0.41 2.37 -0.26 3.68 2.01 0.18 -0.30 115.64 123.74 3kdm s THR 76 Ca 0.11 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.17 3kdm s THR 76 Cb -0.12 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 3kdm s THR 76 CO -0.00 0.53 0.09 -0.63 -0.69 0.00 0.00 174.62 173.92 3kdm s ILE 77 N 0.95 4.42 0.28 1.82 1.01 -0.01 -0.77 121.20 128.90 3kdm s ILE 77 Ca -0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.40 3kdm s ILE 77 Cb -0.15 -3.10 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 3kdm s ILE 77 CO -0.03 0.29 0.52 -0.94 0.00 0.00 0.00 174.94 174.78 3kdm s SER 78 N 1.62 6.42 -1.21 3.58 1.04 0.56 -1.14 113.70 124.56 3kdm s SER 78 Ca 0.06 0.62 -0.16 0.00 0.48 0.00 0.00 55.95 56.95 3kdm s SER 78 Cb -0.15 -2.10 -0.00 0.00 0.10 0.00 0.00 66.02 63.86 3kdm s SER 78 CO 0.05 -0.17 0.70 0.61 0.98 0.00 0.00 173.24 175.40 3kdm n GLY 79 N -0.96 -0.78 3.58 7.32 0.00 0.38 -4.74 105.19 109.99 3kdm n GLY 79 Ca -0.03 0.36 -0.58 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.28 0.86 -4.87 0.99 7.94 0.11 -4.23 117.00 113.52 3kdm n LEU 80 Ca -0.15 1.14 -0.24 0.00 -1.11 0.00 0.00 56.01 55.65 3kdm n LEU 80 Cb 0.61 -1.02 -0.04 0.00 0.53 0.00 0.00 43.42 43.51 3kdm n LEU 80 CO 0.69 -1.39 -0.15 -1.10 -1.11 0.00 0.00 177.39 174.34 3kdm s GLN 81 N 0.81 3.11 0.29 1.96 -0.21 -1.26 -0.88 119.66 123.48 3kdm s GLN 81 Ca 0.91 -0.85 -0.00 0.00 0.02 0.00 0.00 55.36 55.44 3kdm s GLN 81 Cb -1.18 -2.73 0.50 0.00 1.00 0.00 0.00 33.01 30.60 3kdm s GLN 81 CO 0.58 0.46 1.88 0.00 -2.12 0.00 0.00 175.29 176.08 3kdm h ALA 82 N 1.87 1.48 0.00 6.09 0.00 -1.93 -1.64 119.26 125.14 3kdm h ALA 82 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3kdm h ALA 82 Cb 1.22 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3kdm h ALA 82 CO 0.63 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.63 3kdm n GLY 83 N -1.37 -0.92 0.02 0.00 0.00 -1.21 -2.50 105.19 99.21 3kdm n GLY 83 Ca 0.16 -0.12 0.15 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.17 0.07 -4.71 1.61 8.00 -0.62 -4.80 116.55 114.93 3kdm n ASP 84 Ca 0.14 -0.34 -0.42 0.00 0.71 0.00 0.00 54.79 54.87 3kdm n ASP 84 Cb 0.14 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 3kdm n ASP 84 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3kdm s GLU 85 N -2.47 4.22 0.00 -1.24 1.03 -1.04 -4.86 118.70 114.34 3kdm s GLU 85 Ca 0.32 2.34 0.00 0.00 0.03 0.00 0.00 54.97 57.66 3kdm s GLU 85 Cb 0.21 -3.25 0.00 0.00 -0.80 0.00 0.00 34.13 30.28 3kdm s GLU 85 CO 0.45 -0.62 0.00 0.00 -1.33 0.00 0.00 175.26 173.75 3kdm n ALA 86 N 4.32 0.00 -2.38 -0.84 0.00 -1.24 -4.83 120.51 115.53 3kdm n ALA 86 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.21 3kdm n ALA 86 Cb 0.39 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 3kdm n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kdm s ASP 87 N 0.00 6.89 -0.07 0.00 1.01 0.11 -0.98 116.67 123.63 3kdm s ASP 87 Ca 0.00 1.10 0.03 0.00 0.71 0.00 0.00 52.55 54.39 3kdm s ASP 87 Cb 0.00 -2.30 0.01 0.00 1.01 0.00 0.00 42.92 41.64 3kdm s ASP 87 CO 0.00 0.22 -0.17 -0.31 0.21 0.00 0.00 175.17 175.12 3kdm s TYR 88 N -1.24 1.87 -0.09 4.23 1.51 0.10 -0.31 117.35 123.42 3kdm s TYR 88 Ca 0.31 -0.70 0.04 0.00 -1.01 0.00 0.00 57.07 55.71 3kdm s TYR 88 Cb -0.17 -1.30 -0.00 0.00 -0.11 0.00 0.00 41.96 40.38 3kdm s TYR 88 CO 0.18 -0.30 -0.23 0.71 -1.11 0.00 0.00 175.55 174.79 3kdm s TYR 89 N 0.45 2.56 0.57 2.71 2.02 -0.46 0.07 117.35 125.25 3kdm s TYR 89 Ca -0.14 -0.97 -0.01 0.00 -0.37 0.00 0.00 57.07 55.58 3kdm s TYR 89 Cb -0.16 -1.70 0.03 0.00 -0.40 0.00 0.00 41.96 39.73 3kdm s TYR 89 CO 0.05 -0.37 0.82 0.00 -1.57 0.00 0.00 175.55 174.48 3kdm s SER 91 N -4.40 0.03 -0.04 0.00 1.04 0.48 -0.44 113.70 110.38 3kdm s SER 91 Ca 0.56 -0.83 -0.11 0.00 0.48 0.00 0.00 55.95 56.05 3kdm s SER 91 Cb -0.10 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.47 3kdm s SER 91 CO 0.40 -0.88 0.25 -0.55 0.98 0.00 0.00 173.24 173.44 3kdm s SER 92 N -2.95 -0.16 0.59 7.02 0.15 -0.16 -1.43 113.70 116.76 3kdm s SER 92 Ca 0.16 0.15 -0.19 0.00 0.70 0.00 0.00 55.95 56.77 3kdm s SER 92 Cb 0.03 0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 64.67 3kdm s SER 92 CO -0.01 -0.31 1.21 -0.47 1.20 0.00 0.00 173.24 174.85 3kdm s TYR 93 N -0.88 2.38 0.02 3.44 5.04 -1.17 -0.37 117.35 125.81 3kdm s TYR 93 Ca -0.10 1.51 0.03 0.00 -2.44 0.00 0.00 57.07 56.07 3kdm s TYR 93 Cb -0.05 -3.49 -0.01 0.00 0.35 0.00 0.00 41.96 38.76 3kdm s TYR 93 CO 0.02 -2.24 -0.08 0.95 -1.34 0.00 0.00 175.55 172.86 3kdm s THR 94 N -1.58 0.63 -2.00 4.34 -4.23 -1.19 -4.44 115.64 107.17 3kdm s THR 94 Ca 0.78 -0.66 0.01 0.00 -1.18 0.00 0.00 61.69 60.63 3kdm s THR 94 Cb -0.31 -0.59 0.02 0.00 1.34 0.00 0.00 72.50 72.96 3kdm s THR 94 CO 0.33 -0.05 0.82 -1.54 -0.54 0.00 0.00 174.62 173.65 3kdm n SER 95 N 2.28 0.00 -3.19 3.99 3.41 -0.06 -4.51 113.62 115.54 3kdm n SER 95 Ca -0.17 -1.58 -0.09 0.00 -0.26 0.00 0.00 58.87 56.77 3kdm n SER 95 Cb 0.56 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.55 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 -0.51 0.00 -0.28 6.66 -2.24 -1.26 -4.94 114.28 111.71 3kdm n THR 96 Ca 0.00 -0.76 0.18 0.00 -2.27 0.00 0.00 64.05 61.20 3kdm n THR 96 Cb 0.00 -0.99 0.46 0.00 -2.10 0.00 0.00 70.33 67.70 3kdm n THR 96 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3kdm h ARG 97 N 0.00 0.50 -6.28 -0.78 2.43 -2.02 -3.39 114.38 104.84 3kdm h ARG 97 Ca -0.13 -0.03 -0.54 0.00 -0.81 0.00 0.00 59.98 58.46 3kdm h ARG 97 Cb 0.54 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3kdm h ARG 97 CO 0.16 0.33 1.29 0.99 -1.51 0.00 0.00 179.97 181.23 3kdm s THR 98 N -5.55 3.04 -0.20 0.20 2.01 -1.26 -4.90 115.64 108.97 3kdm s THR 98 Ca -0.09 0.04 0.19 0.00 0.31 0.00 0.00 61.69 62.14 3kdm s THR 98 Cb 0.23 -3.03 0.02 0.00 0.01 0.00 0.00 72.50 69.73 3kdm s THR 98 CO 0.79 -0.01 1.15 1.55 -0.69 0.00 0.00 174.62 177.42 3kdm h PRO 99 N 11.53 0.00 -1.98 4.92 0.13 -1.79 -3.30 132.00 141.51 3kdm h PRO 99 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 3kdm h PRO 99 Cb 1.24 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.15 3kdm h PRO 99 CO 0.95 0.23 0.12 -0.47 -0.23 0.00 0.00 178.00 178.60 3kdm s TYR 100 N -3.09 -0.84 -0.01 1.56 5.04 -1.26 -3.14 117.35 115.61 3kdm s TYR 100 Ca 0.01 1.94 -0.06 0.00 -2.44 0.00 0.00 57.07 56.52 3kdm s TYR 100 Cb 0.08 0.36 0.00 0.00 0.35 0.00 0.00 41.96 42.75 3kdm s TYR 100 CO 0.77 -0.41 0.12 0.54 -1.34 0.00 0.00 175.55 175.24 3kdm s VAL 101 N 0.66 0.06 0.27 3.14 0.11 0.50 -4.95 120.40 120.19 3kdm s VAL 101 Ca -0.02 -0.50 -0.05 0.00 -2.93 0.00 0.00 61.98 58.48 3kdm s VAL 101 Cb -0.05 -0.35 -0.05 0.00 -1.53 0.00 0.00 36.38 34.40 3kdm s VAL 101 CO -0.04 -0.27 0.53 -0.36 -3.33 0.00 0.00 175.10 171.62 3kdm s PHE 102 N -0.94 3.47 0.78 1.54 0.40 -1.26 -0.99 117.98 120.98 3kdm s PHE 102 Ca -0.10 0.64 -0.10 0.00 -0.60 0.00 0.00 56.93 56.76 3kdm s PHE 102 Cb -0.06 -2.09 0.09 0.00 0.51 0.00 0.00 43.02 41.47 3kdm s PHE 102 CO 0.01 0.21 1.12 0.20 0.70 0.00 0.00 175.22 177.47 3kdm s GLY 103 N -3.03 1.66 0.00 4.36 0.00 0.41 -2.70 107.32 108.01 3kdm s GLY 103 Ca 0.44 -0.88 0.25 0.00 0.00 0.00 0.00 44.72 44.53 3kdm s GLY 103 CO 0.29 -0.39 1.83 -1.30 0.00 0.00 0.00 173.10 173.53 3kdm n THR 104 N -3.19 0.22 0.00 0.90 -2.24 0.07 -4.71 114.28 105.34 3kdm n THR 104 Ca 0.09 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 3kdm n THR 104 Cb 0.61 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 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 0.92 -1.62 2.99 3.38 0.00 -1.26 -4.96 105.19 104.63 3kdm n GLY 105 Ca 0.10 -1.32 -0.22 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.37 0.90 -0.18 2.61 2.01 0.11 -4.49 115.64 114.24 3kdm s THR 106 Ca 0.00 -0.36 -0.19 0.00 0.31 0.00 0.00 61.69 61.44 3kdm s THR 106 Cb 0.00 -0.84 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 3kdm s THR 106 CO 0.00 0.30 0.56 -0.75 -0.69 0.00 0.00 174.62 174.03 3kdm s LYS 107 N 0.62 4.24 -0.26 4.92 2.20 -0.57 0.03 119.74 130.92 3kdm s LYS 107 Ca -0.11 0.51 -0.19 0.00 -0.36 0.00 0.00 55.97 55.82 3kdm s LYS 107 Cb -0.14 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.62 3kdm s LYS 107 CO 0.02 -0.11 0.57 0.08 -0.36 0.00 0.00 175.35 175.56 3kdm s VAL 108 N 1.48 5.03 -0.15 4.02 1.01 -0.16 -1.24 120.40 130.39 3kdm s VAL 108 Ca 0.27 1.01 -0.05 0.00 0.00 0.00 0.00 61.98 63.20 3kdm s VAL 108 Cb -0.16 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 3kdm s VAL 108 CO 0.10 0.06 0.02 -0.70 0.00 0.00 0.00 175.10 174.59 3kdm s GLU 109 N 2.39 3.68 -0.25 2.72 2.12 -0.16 -3.71 118.70 125.50 3kdm s GLU 109 Ca 0.24 -0.40 -0.18 0.00 0.36 0.00 0.00 54.97 54.99 3kdm s GLU 109 Cb -0.16 -3.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.16 3kdm s GLU 109 CO 0.09 0.37 0.53 0.42 -0.54 0.00 0.00 175.26 176.13 3kdm s ILE 110 N 0.06 5.07 0.45 -3.70 -1.09 -1.26 -2.22 121.20 118.51 3kdm s ILE 110 Ca 0.03 0.92 -0.23 0.00 -2.23 0.00 0.00 60.65 59.15 3kdm s ILE 110 Cb -0.13 -3.84 -0.08 0.00 -1.58 0.00 0.00 42.46 36.84 3kdm s ILE 110 CO 0.01 0.10 1.12 -0.54 -1.23 0.00 0.00 174.94 174.41 3kdm s LYS 111 N 2.16 3.83 0.31 2.79 1.02 0.45 -4.94 119.74 125.36 3kdm s LYS 111 Ca 0.22 1.65 -0.14 0.00 0.02 0.00 0.00 55.97 57.73 3kdm s LYS 111 Cb -0.16 -2.37 0.02 0.00 -0.52 0.00 0.00 37.83 34.80 3kdm s LYS 111 CO 0.09 -0.46 0.62 -0.98 -0.92 0.00 0.00 175.35 173.70 3kdm s ARG 112 N -2.75 1.85 0.67 1.68 1.70 -1.26 -4.41 118.95 116.43 3kdm s ARG 112 Ca 0.63 -1.31 -0.17 0.00 -0.47 0.00 0.00 55.73 54.41 3kdm s ARG 112 Cb -0.25 0.54 0.00 0.00 -0.57 0.00 0.00 34.95 34.67 3kdm s ARG 112 CO 0.31 -0.82 1.24 0.25 -1.08 0.00 0.00 175.30 175.20 3kdm n THR 113 N -0.47 4.34 -1.72 4.99 -2.24 -1.26 -4.90 114.28 113.02 3kdm n THR 113 Ca -0.04 -0.45 -0.43 0.00 -2.27 0.00 0.00 64.05 60.87 3kdm n THR 113 Cb 0.61 -1.40 -0.02 0.00 -2.10 0.00 0.00 70.33 67.41 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 -2.15 0.82 -3.69 2.28 0.31 -1.26 -4.77 118.33 109.87 3kdm n VAL 114 Ca 0.15 -0.20 -0.24 0.00 -0.01 0.00 0.00 64.34 64.04 3kdm n VAL 114 Cb 0.48 -1.83 -0.17 0.00 -0.91 0.00 0.00 33.84 31.41 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 0.19 0.54 0.55 3.52 0.00 0.07 -4.93 121.76 121.70 3kdm s ALA 115 Ca 0.67 -0.19 -0.21 0.00 0.00 0.00 0.00 51.96 52.24 3kdm s ALA 115 Cb -0.54 -0.87 -0.05 0.00 0.00 0.00 0.00 23.12 21.66 3kdm s ALA 115 CO 0.46 -0.80 1.24 0.00 0.00 0.00 0.00 175.76 176.67 3kdm s ALA 116 N 2.06 2.72 0.34 0.00 0.00 -1.26 -0.77 121.76 124.84 3kdm s ALA 116 Ca 0.03 1.09 -0.29 0.00 0.00 0.00 0.00 51.96 52.80 3kdm s ALA 116 Cb -0.14 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.40 3kdm s ALA 116 CO -0.06 -1.12 1.36 -2.14 0.00 0.00 0.00 175.76 173.80 3kdm s PRO 117 N -3.06 4.29 -0.04 0.00 0.02 -1.26 -4.54 135.00 130.40 3kdm s PRO 117 Ca 0.73 2.32 -0.21 0.00 0.02 0.00 0.00 61.00 63.85 3kdm s PRO 117 Cb -0.33 -3.04 -0.05 0.00 0.02 0.00 0.00 34.50 31.10 3kdm s PRO 117 CO 0.38 -0.29 0.63 -1.54 -0.33 0.00 0.00 177.00 175.85 3kdm s SER 118 N -0.38 6.95 -0.05 2.53 1.04 -0.70 -4.83 113.70 118.27 3kdm s SER 118 Ca 0.50 1.14 0.05 0.00 0.48 0.00 0.00 55.95 58.12 3kdm s SER 118 Cb -0.42 -2.38 -0.02 0.00 0.10 0.00 0.00 66.02 63.31 3kdm s SER 118 CO 0.56 0.00 -0.20 -0.69 0.98 0.00 0.00 173.24 173.89 3kdm s VAL 119 N 0.30 2.59 0.01 5.02 1.01 -1.26 0.39 120.40 128.46 3kdm s VAL 119 Ca 0.33 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.42 3kdm s VAL 119 Cb -0.18 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 3kdm s VAL 119 CO 0.17 0.58 -0.03 -0.36 0.00 0.00 0.00 175.10 175.46 3kdm s PHE 120 N -0.55 0.28 -0.03 5.22 0.08 0.02 -4.98 117.98 118.01 3kdm s PHE 120 Ca 0.08 -0.27 0.07 0.00 0.12 0.00 0.00 56.93 56.92 3kdm s PHE 120 Cb -0.11 -0.18 -0.02 0.00 -0.57 0.00 0.00 43.02 42.14 3kdm s PHE 120 CO 0.01 -0.08 -0.24 -1.50 -0.10 0.00 0.00 175.22 173.32 3kdm s ILE 121 N -0.73 2.25 -0.10 0.64 2.07 -1.26 -0.58 121.20 123.49 3kdm s ILE 121 Ca -0.06 -1.03 0.03 0.00 -1.41 0.00 0.00 60.65 58.18 3kdm s ILE 121 Cb -0.05 -1.81 0.01 0.00 0.13 0.00 0.00 42.46 40.74 3kdm s ILE 121 CO -0.00 0.58 -0.19 -0.36 -1.91 0.00 0.00 174.94 173.05 3kdm s PHE 122 N -0.54 2.24 0.83 3.50 0.08 0.23 -5.01 117.98 119.32 3kdm s PHE 122 Ca 0.07 -0.99 -0.11 0.00 0.12 0.00 0.00 56.93 56.03 3kdm s PHE 122 Cb -0.11 -1.55 0.09 0.00 -0.57 0.00 0.00 43.02 40.89 3kdm s PHE 122 CO 0.00 -0.45 1.09 -2.14 -0.10 0.00 0.00 175.22 173.63 3kdm s PRO 123 N 0.65 1.77 0.67 0.24 0.02 -1.26 -2.15 135.00 134.94 3kdm s PRO 123 Ca -0.13 1.05 -0.17 0.00 0.02 0.00 0.00 61.00 61.77 3kdm s PRO 123 Cb -0.16 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.51 3kdm s PRO 123 CO 0.03 -1.95 1.22 -1.25 -0.33 0.00 0.00 177.00 174.73 3kdm s PRO 124 N -4.90 2.50 0.54 5.54 0.04 -1.08 -4.82 135.00 132.83 3kdm s PRO 124 Ca 0.62 1.82 -0.13 0.00 0.04 0.00 0.00 61.00 63.35 3kdm s PRO 124 Cb -0.18 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 3kdm s PRO 124 CO 0.57 -1.57 0.96 -1.54 0.04 0.00 0.00 177.00 175.46 3kdm s SER 125 N -1.80 6.45 0.18 6.66 1.04 -1.26 -4.95 113.70 120.01 3kdm s SER 125 Ca 0.77 1.43 -0.14 0.00 0.48 0.00 0.00 55.95 58.49 3kdm s SER 125 Cb -0.31 -2.46 0.14 0.00 0.10 0.00 0.00 66.02 63.49 3kdm s SER 125 CO 0.40 -0.66 1.76 0.44 0.98 0.00 0.00 173.24 176.16 3kdm h ASP 126 N 0.48 0.21 -0.84 7.02 5.19 -2.02 -2.38 116.42 124.09 3kdm h ASP 126 Ca -0.46 0.05 0.14 0.00 -0.62 0.00 0.00 57.03 56.14 3kdm h ASP 126 Cb 1.19 0.02 -0.15 0.00 0.18 0.00 0.00 39.33 40.57 3kdm h ASP 126 CO 0.62 0.16 -0.33 -0.08 -3.12 0.00 0.00 179.24 176.49 3kdm h GLU 127 N 0.37 -0.05 -0.36 3.56 4.81 -2.02 -2.89 114.58 117.99 3kdm h GLU 127 Ca 0.22 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 3kdm h GLU 127 Cb 0.20 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3kdm h GLU 127 CO -0.20 -0.03 -0.11 0.37 -0.73 0.00 0.00 179.01 178.31 3kdm h GLN 128 N -0.05 0.71 -0.89 1.92 4.15 -1.78 -3.09 115.11 116.07 3kdm h GLN 128 Ca 0.33 -0.28 0.26 0.00 0.77 0.00 0.00 58.65 59.73 3kdm h GLN 128 Cb 0.59 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.21 3kdm h GLN 128 CO -0.87 0.87 0.64 -0.07 -1.93 0.00 0.00 178.83 177.47 3kdm h LEU 129 N 0.50 0.03 -0.52 -2.39 3.38 -1.26 0.12 115.31 115.18 3kdm h LEU 129 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3kdm h LEU 129 Cb 0.62 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3kdm h LEU 129 CO 0.04 0.01 0.00 0.29 0.09 0.00 0.00 178.44 178.87 3kdm n LYS 130 N -4.29 0.06 0.00 1.13 5.02 -1.17 -1.07 118.16 117.84 3kdm n LYS 130 Ca 0.19 0.52 0.12 0.00 -2.02 0.00 0.00 58.31 57.11 3kdm n LYS 130 Cb 0.94 -1.67 0.16 0.00 -0.02 0.00 0.00 35.03 34.44 3kdm n LYS 130 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3kdm n SER 131 N -1.80 1.78 0.00 4.39 3.41 0.44 -4.95 113.62 116.89 3kdm n SER 131 Ca -0.00 -1.37 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 3kdm n SER 131 Cb 0.04 0.29 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 1.37 0.68 2.94 5.00 0.00 -0.24 -5.03 105.19 109.91 3kdm n GLY 132 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.10 0.30 -0.08 2.61 2.01 -1.26 -2.03 115.64 115.09 3kdm s THR 133 Ca 0.00 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 61.79 3kdm s THR 133 Cb 0.00 -0.27 -0.02 0.00 0.01 0.00 0.00 72.50 72.22 3kdm s THR 133 CO 0.00 0.04 -0.17 0.00 -0.69 0.00 0.00 174.62 173.79 3kdm s ALA 134 N -0.21 2.49 -0.16 7.40 0.00 0.42 -4.02 121.76 127.69 3kdm s ALA 134 Ca 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 3kdm s ALA 134 Cb -0.02 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 3kdm s ALA 134 CO -0.00 0.41 -0.09 -1.12 0.00 0.00 0.00 175.76 174.95 3kdm s SER 135 N -0.19 4.20 -0.13 0.00 0.01 -1.26 -0.91 113.70 115.42 3kdm s SER 135 Ca -0.01 -0.32 0.01 0.00 1.31 0.00 0.00 55.95 56.94 3kdm s SER 135 Cb -0.13 -1.67 -0.01 0.00 0.21 0.00 0.00 66.02 64.42 3kdm s SER 135 CO 0.03 0.12 -0.15 -0.69 0.41 0.00 0.00 173.24 172.96 3kdm s VAL 136 N 0.65 2.86 -0.07 3.43 1.01 -0.39 -2.62 120.40 125.29 3kdm s VAL 136 Ca -0.05 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.24 3kdm s VAL 136 Cb -0.15 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 3kdm s VAL 136 CO 0.02 0.53 -0.20 -0.69 0.00 0.00 0.00 175.10 174.77 3kdm s VAL 137 N 0.40 2.54 -0.14 2.92 1.01 -0.91 -0.03 120.40 126.19 3kdm s VAL 137 Ca -0.12 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 60.98 3kdm s VAL 137 Cb -0.16 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 3kdm s VAL 137 CO 0.06 0.57 -0.16 0.00 0.00 0.00 0.00 175.10 175.57 3kdm s LEU 139 N 0.57 3.30 -0.40 0.00 2.96 0.25 -0.07 118.68 125.29 3kdm s LEU 139 Ca -0.10 -0.24 -0.12 0.00 -0.22 0.00 0.00 54.13 53.45 3kdm s LEU 139 Cb -0.16 -1.87 0.04 0.00 0.50 0.00 0.00 46.19 44.70 3kdm s LEU 139 CO 0.04 -0.01 0.27 -0.76 -1.32 0.00 0.00 176.35 174.56 3kdm s LEU 140 N 1.48 5.01 -0.16 -0.68 1.02 0.35 -0.80 118.68 124.90 3kdm s LEU 140 Ca 0.06 -1.09 -0.06 0.00 0.02 0.00 0.00 54.13 53.06 3kdm s LEU 140 Cb -0.15 -2.08 -0.04 0.00 0.02 0.00 0.00 46.19 43.95 3kdm s LEU 140 CO 0.02 -0.46 0.05 0.21 0.02 0.00 0.00 176.35 176.18 3kdm s ASN 141 N 1.80 5.54 -1.19 2.29 3.04 0.16 -0.38 114.94 126.20 3kdm s ASN 141 Ca 0.03 0.11 -0.17 0.00 0.04 0.00 0.00 52.86 52.87 3kdm s ASN 141 Cb -0.20 -1.87 -0.01 0.00 -1.54 0.00 0.00 41.25 37.63 3kdm s ASN 141 CO 0.07 0.23 0.72 0.59 -3.04 0.00 0.00 177.10 175.68 3kdm n ASN 142 N 3.14 -4.22 -4.93 -4.21 4.13 -0.77 -1.72 115.26 106.68 3kdm n ASN 142 Ca -0.17 -1.01 -0.20 0.00 1.68 0.00 0.00 54.58 54.88 3kdm n ASN 142 Cb 0.53 -3.33 -0.02 0.00 -1.54 0.00 0.00 39.78 35.42 3kdm n ASN 142 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3kdm s PHE 143 N -3.56 2.98 -0.28 3.10 -0.71 0.42 -4.66 117.98 115.27 3kdm s PHE 143 Ca 0.37 -0.28 -0.19 0.00 -1.04 0.00 0.00 56.93 55.78 3kdm s PHE 143 Cb -0.13 -1.95 0.08 0.00 -1.21 0.00 0.00 43.02 39.81 3kdm s PHE 143 CO 0.87 0.03 0.73 -0.47 -1.34 0.00 0.00 175.22 175.04 3kdm s TYR 144 N -2.26 -0.93 1.17 3.49 5.04 0.05 -1.07 117.35 122.84 3kdm s TYR 144 Ca 0.44 1.98 -0.19 0.00 -2.44 0.00 0.00 57.07 56.86 3kdm s TYR 144 Cb -0.08 0.49 0.28 0.00 0.35 0.00 0.00 41.96 43.00 3kdm s TYR 144 CO 0.29 -0.45 1.16 -1.25 -1.34 0.00 0.00 175.55 173.96 3kdm s PRO 145 N 1.14 -1.01 0.32 4.97 0.04 -1.26 -0.75 135.00 138.45 3kdm s PRO 145 Ca -0.06 -0.22 0.02 0.00 0.04 0.00 0.00 61.00 60.78 3kdm s PRO 145 Cb -0.05 -1.64 0.53 0.00 0.04 0.00 0.00 34.50 33.39 3kdm s PRO 145 CO -0.12 -3.54 1.89 -0.09 0.04 0.00 0.00 177.00 175.17 3kdm h ARG 146 N -2.46 0.71 -6.50 4.56 2.43 -1.97 -3.44 114.38 107.72 3kdm h ARG 146 Ca -0.44 -0.12 -0.56 0.00 -0.81 0.00 0.00 59.98 58.06 3kdm h ARG 146 Cb 1.27 -0.12 0.05 0.00 -0.42 0.00 0.00 29.97 30.75 3kdm h ARG 146 CO 0.32 0.63 1.01 -1.91 -1.51 0.00 0.00 179.97 178.50 3kdm n GLU 147 N -4.31 2.52 -3.90 0.20 0.00 -1.26 -4.99 120.64 108.90 3kdm n GLU 147 Ca 0.03 0.92 -0.09 0.00 0.00 0.00 0.00 57.16 58.02 3kdm n GLU 147 Cb 0.19 -2.76 -0.09 0.00 0.00 0.00 0.00 31.44 28.79 3kdm n GLU 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kdm s ALA 148 N 2.19 -0.15 0.01 4.31 0.00 -1.26 -4.69 121.76 122.16 3kdm s ALA 148 Ca 0.82 -0.54 0.05 0.00 0.00 0.00 0.00 51.96 52.29 3kdm s ALA 148 Cb -0.57 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 3kdm s ALA 148 CO 0.39 -0.38 -0.16 0.15 0.00 0.00 0.00 175.76 175.75 3kdm s LYS 149 N -3.01 1.20 -0.03 0.00 -0.14 -0.81 -5.02 119.74 111.93 3kdm s LYS 149 Ca -0.02 -0.68 -0.01 0.00 -1.36 0.00 0.00 55.97 53.90 3kdm s LYS 149 Cb 0.01 -1.20 0.03 0.00 -1.68 0.00 0.00 37.83 34.99 3kdm s LYS 149 CO -0.06 0.32 0.05 0.54 -0.76 0.00 0.00 175.35 175.43 3kdm s VAL 150 N -0.58 -0.08 0.22 3.17 0.11 -1.26 -1.10 120.40 120.88 3kdm s VAL 150 Ca 0.05 0.30 0.06 0.00 -2.93 0.00 0.00 61.98 59.46 3kdm s VAL 150 Cb -0.07 -0.12 -0.05 0.00 -1.53 0.00 0.00 36.38 34.61 3kdm s VAL 150 CO 0.00 0.12 -0.07 -1.10 -3.33 0.00 0.00 175.10 170.72 3kdm s GLN 151 N 1.53 1.34 -0.06 1.54 -0.21 -0.90 -4.98 119.66 117.90 3kdm s GLN 151 Ca -0.03 -1.64 0.01 0.00 0.02 0.00 0.00 55.36 53.72 3kdm s GLN 151 Cb -0.13 -0.89 -0.03 0.00 1.00 0.00 0.00 33.01 32.96 3kdm s GLN 151 CO -0.03 0.05 -0.08 -1.58 -2.12 0.00 0.00 175.29 171.52 3kdm s TRP 152 N -3.17 2.90 -0.09 0.91 0.52 -1.26 -2.03 118.94 116.71 3kdm s TRP 152 Ca 0.25 -0.00 0.01 0.00 0.02 0.00 0.00 56.10 56.38 3kdm s TRP 152 Cb 0.03 -1.70 0.02 0.00 -1.15 0.00 0.00 33.47 30.67 3kdm s TRP 152 CO 0.07 0.31 -0.12 0.15 0.02 0.00 0.00 176.95 177.39 3kdm s LYS 153 N -0.81 1.81 -0.21 4.98 1.02 -0.40 -0.26 119.74 125.87 3kdm s LYS 153 Ca 0.12 -0.41 -0.02 0.00 0.02 0.00 0.00 55.97 55.68 3kdm s LYS 153 Cb -0.11 -1.60 0.01 0.00 -0.52 0.00 0.00 37.83 35.61 3kdm s LYS 153 CO 0.01 -0.08 -0.10 0.08 -0.92 0.00 0.00 175.35 174.34 3kdm s VAL 154 N 1.05 2.83 -1.38 3.17 1.01 -0.90 -1.76 120.40 124.41 3kdm s VAL 154 Ca -0.07 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 3kdm s VAL 154 Cb -0.15 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 33.98 3kdm s VAL 154 CO -0.01 0.42 0.41 0.47 0.00 0.00 0.00 175.10 176.39 3kdm n ASP 155 N 4.71 -4.80 0.00 3.32 8.00 -0.46 -1.90 116.55 125.42 3kdm n ASP 155 Ca -0.19 -0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.09 3kdm n ASP 155 Cb 0.50 -3.95 0.00 0.00 -0.02 0.00 0.00 41.12 37.65 3kdm n ASP 155 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3kdm n ASN 156 N -2.27 -0.56 -4.54 -2.24 4.13 -1.26 -5.02 115.26 103.50 3kdm n ASN 156 Ca -0.09 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 55.79 3kdm n ASN 156 Cb 0.59 -0.09 -0.11 0.00 -1.54 0.00 0.00 39.78 38.63 3kdm n ASN 156 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kdm s ALA 157 N -3.62 3.43 0.20 5.41 0.00 -0.80 -4.99 121.76 121.38 3kdm s ALA 157 Ca 0.00 -1.17 -0.33 0.00 0.00 0.00 0.00 51.96 50.46 3kdm s ALA 157 Cb 0.00 -2.41 -0.13 0.00 0.00 0.00 0.00 23.12 20.57 3kdm s ALA 157 CO 0.00 -0.63 1.58 -0.11 0.00 0.00 0.00 175.76 176.59 3kdm n LEU 158 N 5.03 3.40 -4.83 0.00 7.94 -1.26 -2.11 117.00 125.18 3kdm n LEU 158 Ca -0.14 1.10 -0.36 0.00 -1.11 0.00 0.00 56.01 55.49 3kdm n LEU 158 Cb 0.51 -1.47 -0.06 0.00 0.53 0.00 0.00 43.42 42.93 3kdm n LEU 158 CO 0.33 -0.19 0.32 -1.10 -1.11 0.00 0.00 177.39 175.65 3kdm s GLN 159 N 0.57 4.13 -0.05 1.96 -1.52 0.65 -4.94 119.66 120.44 3kdm s GLN 159 Ca 0.75 0.69 0.05 0.00 -1.95 0.00 0.00 55.36 54.89 3kdm s GLN 159 Cb -0.62 -2.94 -0.01 0.00 -0.22 0.00 0.00 33.01 29.23 3kdm s GLN 159 CO 0.40 0.45 -0.21 0.45 -0.25 0.00 0.00 175.29 176.13 3kdm s SER 160 N -1.63 2.65 -0.63 5.90 0.15 -1.26 -4.64 113.70 114.23 3kdm s SER 160 Ca 0.39 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.60 3kdm s SER 160 Cb -0.16 -0.78 0.00 0.00 -1.71 0.00 0.00 66.02 63.37 3kdm s SER 160 CO 0.20 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.44 3kdm n GLY 161 N 3.09 0.70 0.61 9.45 0.00 -1.26 -4.84 105.19 112.94 3kdm n GLY 161 Ca -0.18 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.58 2.61 -4.07 1.61 0.23 -1.26 -5.03 115.26 108.77 3kdm n ASN 162 Ca -0.06 -3.39 -0.10 0.00 -0.53 0.00 0.00 54.58 50.50 3kdm n ASN 162 Cb 0.41 -0.52 -0.11 0.00 -2.08 0.00 0.00 39.78 37.48 3kdm n ASN 162 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3kdm s SER 163 N -2.66 0.68 0.04 0.53 1.04 -1.26 -1.34 113.70 110.74 3kdm s SER 163 Ca 0.38 -0.70 0.03 0.00 0.48 0.00 0.00 55.95 56.14 3kdm s SER 163 Cb 0.34 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 3kdm s SER 163 CO 0.02 -0.35 -0.09 -1.10 0.98 0.00 0.00 173.24 172.70 3kdm s GLN 164 N -2.37 0.57 0.06 4.02 -0.21 -0.74 -4.96 119.66 116.03 3kdm s GLN 164 Ca -0.05 -0.73 0.08 0.00 0.02 0.00 0.00 55.36 54.69 3kdm s GLN 164 Cb -0.04 -0.40 -0.03 0.00 1.00 0.00 0.00 33.01 33.54 3kdm s GLN 164 CO -0.03 0.08 -0.19 -1.21 -2.12 0.00 0.00 175.29 171.82 3kdm s GLU 165 N -1.44 1.95 -0.02 2.91 8.01 -1.26 -0.56 118.70 128.29 3kdm s GLU 165 Ca -0.07 -1.05 0.02 0.00 0.01 0.00 0.00 54.97 53.87 3kdm s GLU 165 Cb -0.09 -2.14 0.00 0.00 -4.31 0.00 0.00 34.13 27.60 3kdm s GLU 165 CO 0.01 0.52 -0.06 0.45 0.01 0.00 0.00 175.26 176.19 3kdm s SER 166 N -1.59 0.82 0.01 -0.19 0.15 -0.54 -4.98 113.70 107.38 3kdm s SER 166 Ca 0.15 -0.12 0.07 0.00 0.70 0.00 0.00 55.95 56.75 3kdm s SER 166 Cb -0.10 -0.21 -0.03 0.00 -1.71 0.00 0.00 66.02 63.97 3kdm s SER 166 CO 0.06 0.03 -0.21 -0.69 1.20 0.00 0.00 173.24 173.63 3kdm s VAL 167 N 0.23 2.53 0.59 4.45 1.01 -1.26 -0.20 120.40 127.76 3kdm s VAL 167 Ca -0.03 -1.14 -0.12 0.00 0.00 0.00 0.00 61.98 60.69 3kdm s VAL 167 Cb -0.07 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 3kdm s VAL 167 CO -0.00 0.43 1.01 0.42 0.00 0.00 0.00 175.10 176.97 3kdm s THR 168 N -0.80 4.68 0.77 3.92 -4.23 -0.74 -5.01 115.64 114.24 3kdm s THR 168 Ca 0.12 0.93 -0.13 0.00 -1.18 0.00 0.00 61.69 61.44 3kdm s THR 168 Cb -0.10 -3.84 0.06 0.00 1.34 0.00 0.00 72.50 69.96 3kdm s THR 168 CO 0.02 -1.04 1.15 -1.61 -0.54 0.00 0.00 174.62 172.60 3kdm s GLU 169 N -4.93 2.00 0.10 3.99 0.41 -1.26 -4.62 118.70 114.39 3kdm s GLU 169 Ca 0.56 1.51 -0.35 0.00 -0.41 0.00 0.00 54.97 56.28 3kdm s GLU 169 Cb -0.11 -1.84 -0.15 0.00 -1.78 0.00 0.00 34.13 30.25 3kdm s GLU 169 CO 0.49 -1.89 1.52 0.94 -0.49 0.00 0.00 175.26 175.82 3kdm n GLN 170 N -3.22 1.76 -1.88 1.61 7.27 -1.26 -4.80 117.38 116.86 3kdm n GLN 170 Ca 0.12 0.64 -0.41 0.00 0.07 0.00 0.00 57.00 57.41 3kdm n GLN 170 Cb 0.52 -2.36 -0.01 0.00 2.41 0.00 0.00 30.24 30.79 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 1.05 6.48 0.51 1.69 -1.08 0.12 -4.89 116.67 120.55 3kdm s ASP 171 Ca 0.82 2.87 0.29 0.00 -0.52 0.00 0.00 52.55 56.02 3kdm s ASP 171 Cb -0.79 -2.64 1.29 0.00 -1.46 0.00 0.00 42.92 39.32 3kdm s ASP 171 CO 0.43 -0.81 1.97 0.77 0.52 0.00 0.00 175.17 178.05 3kdm h SER 172 N 4.28 0.00 0.00 -0.34 4.64 -1.89 -1.76 113.55 118.49 3kdm h SER 172 Ca -0.48 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.45 3kdm h SER 172 Cb 1.22 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.25 3kdm h SER 172 CO 0.74 0.11 -2.34 0.29 -0.87 0.00 0.00 176.83 174.76 3kdm n LYS 173 N -3.33 0.52 0.00 4.77 5.02 -1.26 -3.31 118.16 120.57 3kdm n LYS 173 Ca -0.00 0.20 0.10 0.00 -2.02 0.00 0.00 58.31 56.59 3kdm n LYS 173 Cb 0.32 -1.38 0.05 0.00 -0.02 0.00 0.00 35.03 34.00 3kdm n LYS 173 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3kdm n ASP 174 N -3.87 2.41 -1.20 4.39 5.68 -1.26 -4.96 116.55 117.75 3kdm n ASP 174 Ca -0.46 -1.71 -0.15 0.00 -0.50 0.00 0.00 54.79 51.97 3kdm n ASP 174 Cb 0.86 0.21 -0.06 0.00 -1.14 0.00 0.00 41.12 40.98 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 0.67 -4.82 -5.00 -1.12 7.64 -0.66 -4.95 113.62 105.37 3kdm n SER 175 Ca 0.11 0.35 -0.18 0.00 1.01 0.00 0.00 58.87 60.16 3kdm n SER 175 Cb 0.49 -3.68 0.02 0.00 -1.01 0.00 0.00 64.21 60.03 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 -2.58 2.69 0.26 0.44 -4.23 -1.26 -4.62 115.64 106.35 3kdm s THR 176 Ca 0.00 -1.04 0.12 0.00 -1.18 0.00 0.00 61.69 59.58 3kdm s THR 176 Cb 0.00 -2.73 -0.05 0.00 1.34 0.00 0.00 72.50 71.06 3kdm s THR 176 CO 0.00 0.00 -0.21 -0.31 -0.54 0.00 0.00 174.62 173.56 3kdm s TYR 177 N -2.46 2.29 0.11 3.99 2.02 -0.23 -0.71 117.35 122.36 3kdm s TYR 177 Ca 0.56 -0.34 0.05 0.00 -0.37 0.00 0.00 57.07 56.97 3kdm s TYR 177 Cb -0.08 -1.02 -0.04 0.00 -0.40 0.00 0.00 41.96 40.42 3kdm s TYR 177 CO 0.34 0.67 -0.13 -1.12 -1.57 0.00 0.00 175.55 173.74 3kdm s SER 178 N -3.33 1.81 -0.01 2.29 0.01 -1.26 -0.44 113.70 112.76 3kdm s SER 178 Ca 0.28 -0.80 0.02 0.00 1.31 0.00 0.00 55.95 56.76 3kdm s SER 178 Cb -0.06 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.13 3kdm s SER 178 CO 0.14 -0.18 -0.05 -0.22 0.41 0.00 0.00 173.24 173.34 3kdm s LEU 179 N -2.40 1.85 -0.07 2.44 2.96 0.49 -1.78 118.68 122.17 3kdm s LEU 179 Ca 0.07 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.86 3kdm s LEU 179 Cb -0.05 -0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.31 3kdm s LEU 179 CO 0.02 0.04 0.04 -0.94 -1.32 0.00 0.00 176.35 174.18 3kdm s SER 180 N 0.10 5.48 -0.14 3.68 1.04 0.73 -0.49 113.70 124.10 3kdm s SER 180 Ca -0.01 0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.62 3kdm s SER 180 Cb -0.05 -1.58 0.02 0.00 0.10 0.00 0.00 66.02 64.51 3kdm s SER 180 CO -0.00 0.36 -0.18 -0.55 0.98 0.00 0.00 173.24 173.85 3kdm s SER 181 N -1.11 2.80 -0.18 7.02 0.15 0.90 -1.47 113.70 121.81 3kdm s SER 181 Ca 0.16 -0.52 -0.01 0.00 0.70 0.00 0.00 55.95 56.27 3kdm s SER 181 Cb -0.12 -1.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.92 3kdm s SER 181 CO 0.05 0.02 -0.13 -0.89 1.20 0.00 0.00 173.24 173.50 3kdm s THR 182 N 1.06 2.77 -0.25 6.45 2.01 0.28 -0.23 115.64 127.73 3kdm s THR 182 Ca -0.03 -0.71 -0.10 0.00 0.31 0.00 0.00 61.69 61.15 3kdm s THR 182 Cb -0.14 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.12 3kdm s THR 182 CO -0.05 0.49 0.16 -0.22 -0.69 0.00 0.00 174.62 174.31 3kdm s LEU 183 N 1.14 4.04 -0.21 4.42 2.96 0.95 -1.78 118.68 130.20 3kdm s LEU 183 Ca 0.01 0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.94 3kdm s LEU 183 Cb -0.14 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 3kdm s LEU 183 CO -0.04 0.04 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.12 3kdm s THR 184 N 1.20 3.72 0.06 3.68 2.01 -0.45 -1.26 115.64 124.59 3kdm s THR 184 Ca 0.07 -0.38 0.05 0.00 0.31 0.00 0.00 61.69 61.73 3kdm s THR 184 Cb -0.14 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 3kdm s THR 184 CO 0.06 0.42 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.51 3kdm s LEU 185 N 1.24 2.24 0.63 4.42 1.43 -0.09 -4.88 118.68 123.66 3kdm s LEU 185 Ca 0.03 -0.55 -0.18 0.00 -1.03 0.00 0.00 54.13 52.40 3kdm s LEU 185 Cb -0.15 -0.50 -0.03 0.00 0.03 0.00 0.00 46.19 45.54 3kdm s LEU 185 CO 0.00 -0.05 1.05 -1.54 0.23 0.00 0.00 176.35 176.04 3kdm n SER 186 N 1.52 1.08 -0.17 2.29 3.41 -1.26 0.16 113.62 120.65 3kdm n SER 186 Ca -0.20 0.80 -0.04 0.00 -0.26 0.00 0.00 58.87 59.16 3kdm n SER 186 Cb 0.54 -1.44 0.05 0.00 -0.26 0.00 0.00 64.21 63.11 3kdm n SER 186 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3kdm h LYS 187 N 0.42 0.49 0.02 4.33 3.64 -1.68 0.11 116.57 123.90 3kdm h LYS 187 Ca -0.49 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 58.89 3kdm h LYS 187 Cb 1.36 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 3kdm h LYS 187 CO 0.51 0.32 -0.40 0.00 -2.27 0.00 0.00 179.45 177.62 3kdm h ALA 188 N 1.27 -0.63 -0.51 5.00 0.00 -1.90 0.38 119.26 122.87 3kdm h ALA 188 Ca 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kdm h ALA 188 Cb 0.13 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3kdm h ALA 188 CO -0.15 -0.93 0.34 -0.44 0.00 0.00 0.00 179.25 178.06 3kdm h ASP 189 N -0.56 0.59 -0.51 0.00 5.19 -1.87 -2.46 116.42 116.79 3kdm h ASP 189 Ca 0.05 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.42 3kdm h ASP 189 Cb 0.64 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 3kdm h ASP 189 CO -0.29 0.43 0.22 0.22 -3.12 0.00 0.00 179.24 176.70 3kdm h TYR 190 N 0.69 0.76 0.00 4.55 3.20 0.11 -2.99 116.97 123.29 3kdm h TYR 190 Ca 0.19 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 3kdm h TYR 190 Cb -0.08 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 37.96 3kdm h TYR 190 CO 0.00 0.62 -0.14 0.93 -1.64 0.00 0.00 178.16 177.93 3kdm h GLU 191 N 0.69 0.00 -0.94 1.82 4.39 0.12 -3.14 114.58 117.51 3kdm h GLU 191 Ca 0.17 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.68 3kdm h GLU 191 Cb 0.16 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.70 3kdm h GLU 191 CO -0.02 0.14 0.25 0.36 -1.16 0.00 0.00 179.01 178.59 3kdm n LYS 192 N -3.24 2.02 -3.78 2.33 2.85 -1.01 -4.85 118.16 112.47 3kdm n LYS 192 Ca 0.01 -1.58 -0.09 0.00 -1.05 0.00 0.00 58.31 55.59 3kdm n LYS 192 Cb 0.43 -1.69 -0.06 0.00 -0.65 0.00 0.00 35.03 33.06 3kdm n LYS 192 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 3kdm s HIS 193 N -1.77 0.04 -0.05 5.58 3.76 -1.19 -5.07 115.29 116.59 3kdm s HIS 193 Ca 0.29 -0.42 -0.07 0.00 -0.15 0.00 0.00 55.06 54.71 3kdm s HIS 193 Cb 0.24 0.07 -0.03 0.00 1.11 0.00 0.00 32.58 33.97 3kdm s HIS 193 CO 0.06 -0.63 -0.15 1.17 -0.85 0.00 0.00 174.74 174.34 3kdm n LYS 194 N -0.14 0.24 -3.35 1.40 0.00 -1.26 -4.73 118.16 110.31 3kdm n LYS 194 Ca -0.15 0.10 -0.38 0.00 0.00 0.00 0.00 58.31 57.88 3kdm n LYS 194 Cb 0.63 -0.91 -0.06 0.00 0.00 0.00 0.00 35.03 34.68 3kdm n LYS 194 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3kdm s VAL 195 N -2.35 5.20 -0.17 3.15 1.01 -1.26 0.12 120.40 126.10 3kdm s VAL 195 Ca -0.14 0.87 0.01 0.00 0.00 0.00 0.00 61.98 62.72 3kdm s VAL 195 Cb 0.03 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.64 3kdm s VAL 195 CO 0.19 0.32 -0.19 -0.31 0.00 0.00 0.00 175.10 175.12 3kdm s TYR 196 N 0.71 2.76 -0.00 5.22 2.02 0.11 -1.36 117.35 126.81 3kdm s TYR 196 Ca 0.24 -1.43 0.00 0.00 -0.37 0.00 0.00 57.07 55.52 3kdm s TYR 196 Cb -0.15 -1.90 -0.00 0.00 -0.40 0.00 0.00 41.96 39.51 3kdm s TYR 196 CO 0.09 -0.69 -0.02 0.00 -1.57 0.00 0.00 175.55 173.36 3kdm s ALA 197 N 1.11 0.13 -0.22 3.71 0.00 -0.72 -1.05 121.76 124.73 3kdm s ALA 197 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 3kdm s ALA 197 Cb -0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 3kdm s ALA 197 CO -0.07 0.03 -0.03 0.00 0.00 0.00 0.00 175.76 175.68 3kdm s GLU 199 N 1.41 3.49 -0.10 0.00 2.12 -0.86 -1.51 118.70 123.24 3kdm s GLU 199 Ca 0.05 -0.57 -0.02 0.00 0.36 0.00 0.00 54.97 54.79 3kdm s GLU 199 Cb -0.14 -3.07 -0.03 0.00 0.26 0.00 0.00 34.13 31.15 3kdm s GLU 199 CO -0.02 -0.13 -0.04 0.08 -0.54 0.00 0.00 175.26 174.62 3kdm s VAL 200 N 1.34 3.95 -0.11 3.70 1.01 0.87 -2.13 120.40 129.03 3kdm s VAL 200 Ca 0.04 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.69 3kdm s VAL 200 Cb -0.14 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.57 3kdm s VAL 200 CO -0.00 0.56 -0.23 0.42 0.00 0.00 0.00 175.10 175.85 3kdm s THR 201 N -0.42 2.05 -0.24 3.92 -4.23 -0.26 -1.56 115.64 114.91 3kdm s THR 201 Ca 0.07 -1.00 -0.22 0.00 -1.18 0.00 0.00 61.69 59.36 3kdm s THR 201 Cb -0.12 -1.79 0.06 0.00 1.34 0.00 0.00 72.50 71.99 3kdm s THR 201 CO 0.02 0.56 0.64 -2.28 -0.54 0.00 0.00 174.62 173.01 3kdm s HIS 202 N 0.49 -0.71 0.20 3.99 2.46 -1.26 -1.93 115.29 118.52 3kdm s HIS 202 Ca -0.15 1.72 -0.11 0.00 0.47 0.00 0.00 55.06 56.98 3kdm s HIS 202 Cb -0.17 0.25 0.25 0.00 -0.13 0.00 0.00 32.58 32.78 3kdm s HIS 202 CO 0.06 -0.34 1.23 0.94 -2.47 0.00 0.00 174.74 174.15 3kdm n GLN 203 N 2.80 -0.15 0.00 2.88 7.27 -1.26 -0.49 117.38 128.43 3kdm n GLN 203 Ca -0.14 1.22 0.07 0.00 0.07 0.00 0.00 57.00 58.22 3kdm n GLN 203 Cb 0.56 -1.82 0.40 0.00 2.41 0.00 0.00 30.24 31.79 3kdm n GLN 203 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kdm n GLY 204 N -1.42 -0.55 3.13 1.69 0.00 -1.26 -4.69 105.19 102.08 3kdm n GLY 204 Ca 0.10 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.76 1.92 0.10 0.99 1.43 0.35 -4.42 118.68 117.30 3kdm s LEU 205 Ca 0.20 -0.51 -0.25 0.00 -1.03 0.00 0.00 54.13 52.55 3kdm s LEU 205 Cb 0.09 -1.26 -0.08 0.00 0.03 0.00 0.00 46.19 44.97 3kdm s LEU 205 CO 0.16 0.07 1.42 0.28 0.23 0.00 0.00 176.35 178.50 3kdm h SER 206 N 7.20 -1.44 -2.20 2.29 0.02 -1.83 -3.43 113.55 114.16 3kdm h SER 206 Ca -0.29 0.19 -0.58 0.00 -0.84 0.00 0.00 61.79 60.28 3kdm h SER 206 Cb 1.19 0.59 -0.13 0.00 0.14 0.00 0.00 62.40 64.19 3kdm h SER 206 CO 0.51 -0.30 -0.57 -0.44 -1.14 0.00 0.00 176.83 174.89 3kdm s SER 207 N -4.52 3.21 0.27 3.07 0.01 -1.26 -5.08 113.70 109.41 3kdm s SER 207 Ca -0.11 -1.50 -0.27 0.00 1.31 0.00 0.00 55.95 55.38 3kdm s SER 207 Cb 0.06 0.11 -0.15 0.00 0.21 0.00 0.00 66.02 66.25 3kdm s SER 207 CO 0.47 -0.70 0.64 -2.65 0.41 0.00 0.00 173.24 171.41 3kdm n PRO 208 N -0.93 0.50 -3.73 12.44 -0.02 -1.26 -4.88 135.00 137.11 3kdm n PRO 208 Ca -0.07 0.18 -0.35 0.00 -2.02 0.00 0.00 63.50 61.23 3kdm n PRO 208 Cb 0.66 -1.33 -0.08 0.00 -0.02 0.00 0.00 33.50 32.73 3kdm n PRO 208 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kdm s VAL 209 N -1.13 5.41 -0.04 -1.45 1.01 -0.60 -4.93 120.40 118.67 3kdm s VAL 209 Ca 0.62 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.82 3kdm s VAL 209 Cb -0.79 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 3kdm s VAL 209 CO 0.58 0.45 -0.10 -0.89 0.00 0.00 0.00 175.10 175.14 3kdm s THR 210 N 0.29 3.45 -0.05 3.92 2.01 -1.26 -0.09 115.64 123.90 3kdm s THR 210 Ca 0.09 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.46 3kdm s THR 210 Cb -0.11 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 69.99 3kdm s THR 210 CO -0.02 0.54 -0.16 -0.54 -0.69 0.00 0.00 174.62 173.76 3kdm s LYS 211 N -0.95 1.78 0.22 4.92 -0.14 -0.57 -5.00 119.74 120.00 3kdm s LYS 211 Ca 0.13 -0.55 -0.05 0.00 -1.36 0.00 0.00 55.97 54.15 3kdm s LYS 211 Cb -0.11 -1.51 -0.03 0.00 -1.68 0.00 0.00 37.83 34.51 3kdm s LYS 211 CO 0.03 0.16 0.25 -1.54 -0.76 0.00 0.00 175.35 173.49 3kdm s SER 212 N 0.25 0.08 0.11 2.83 1.04 -1.26 -0.76 113.70 116.00 3kdm s SER 212 Ca -0.08 -1.23 -0.01 0.00 0.48 0.00 0.00 55.95 55.11 3kdm s SER 212 Cb -0.13 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 3kdm s SER 212 CO 0.03 -0.95 0.02 0.72 0.98 0.00 0.00 173.24 174.04 3kdm s PHE 213 N -4.10 0.82 -0.18 5.02 -0.71 -0.21 -4.98 117.98 113.63 3kdm s PHE 213 Ca 0.33 -1.15 -0.08 0.00 -1.04 0.00 0.00 56.93 54.99 3kdm s PHE 213 Cb 0.04 -0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 41.33 3kdm s PHE 213 CO 0.11 -0.43 0.08 -0.80 -1.34 0.00 0.00 175.22 172.84 3kdm s ASN 214 N -3.03 5.79 -0.15 1.98 0.02 -1.26 -0.71 114.94 117.57 3kdm s ASN 214 Ca 0.19 0.13 -0.29 0.00 -1.02 0.00 0.00 52.86 51.87 3kdm s ASN 214 Cb 0.07 -1.99 -0.05 0.00 0.02 0.00 0.00 41.25 39.30 3kdm s ASN 214 CO -0.01 0.18 1.86 -0.60 0.02 0.00 0.00 177.10 178.55 3kdm s ARG 215 N 0.32 3.72 0.00 -0.60 3.52 0.32 -1.15 118.95 125.08 3kdm s ARG 215 Ca 0.05 2.01 0.00 0.00 -0.13 0.00 0.00 55.73 57.66 3kdm s ARG 215 Cb -0.12 -4.15 0.00 0.00 -1.56 0.00 0.00 34.95 29.12 3kdm s ARG 215 CO -0.00 -1.41 0.00 0.41 -0.81 0.00 0.00 175.30 173.49 3kdm n GLY 216 N 4.90 0.98 3.72 8.12 0.00 -1.26 -4.91 105.19 116.75 3kdm n GLY 216 Ca 0.22 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 3kdm n GLY 216 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kdm s GLU 217 N -0.58 2.65 0.00 1.61 2.56 -0.30 -5.27 118.70 119.37 3kdm s GLU 217 Ca 0.00 -0.88 0.28 0.00 0.00 0.00 0.00 54.97 54.36 3kdm s GLU 217 Cb 0.00 -2.55 0.98 0.00 2.00 0.00 0.00 34.13 34.56 3kdm s GLU 217 CO 0.00 0.51 1.71 0.00 -0.56 0.00 0.00 175.26 176.92