#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jdf s THR 6 N 0.00 5.14 -0.11 4.37 2.01 -1.26 -5.10 115.64 120.69 1jdf s THR 6 Ca 0.00 -0.44 -0.03 0.00 0.31 0.00 0.00 61.69 61.53 1jdf s THR 6 Cb 0.00 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1jdf s THR 6 CO 0.00 -0.41 -0.00 0.42 -0.69 0.00 0.00 174.62 173.93 1jdf s THR 7 N -2.14 4.24 0.75 -0.82 -4.23 -1.26 -5.10 115.64 107.07 1jdf s THR 7 Ca 0.39 -0.26 -0.15 0.00 -1.18 0.00 0.00 61.69 60.49 1jdf s THR 7 Cb -0.10 -2.81 0.05 0.00 1.34 0.00 0.00 72.50 70.98 1jdf s THR 7 CO 0.33 0.57 1.23 -2.84 -0.54 0.00 0.00 174.62 173.37 1jdf s PRO 8 N -0.47 1.96 -0.06 3.99 0.02 -1.26 -4.90 135.00 134.28 1jdf s PRO 8 Ca 0.08 1.85 0.05 0.00 0.02 0.00 0.00 61.00 63.00 1jdf s PRO 8 Cb -0.12 -1.80 -0.00 0.00 0.02 0.00 0.00 34.50 32.59 1jdf s PRO 8 CO 0.02 -2.00 -0.21 0.08 -0.33 0.00 0.00 177.00 174.57 1jdf s VAL 9 N -1.91 1.71 0.09 3.83 1.01 -1.26 -2.39 120.40 121.49 1jdf s VAL 9 Ca 0.76 -0.87 -0.31 0.00 0.00 0.00 0.00 61.98 61.57 1jdf s VAL 9 Cb -0.31 -1.46 -0.09 0.00 0.00 0.00 0.00 36.38 34.51 1jdf s VAL 9 CO 0.47 0.48 1.68 -0.69 0.00 0.00 0.00 175.10 177.04 1jdf s VAL 10 N 0.02 2.87 -0.19 2.92 1.01 -0.20 -0.93 120.40 125.91 1jdf s VAL 10 Ca -0.06 0.39 0.18 0.00 0.00 0.00 0.00 61.98 62.49 1jdf s VAL 10 Cb -0.13 -3.25 -0.25 0.00 0.00 0.00 0.00 36.38 32.75 1jdf s VAL 10 CO 0.03 0.00 0.12 0.35 0.00 0.00 0.00 175.10 175.61 1jdf n THR 11 N 4.62 1.40 -3.46 3.92 -2.24 0.10 -0.69 114.28 117.94 1jdf n THR 11 Ca 0.16 -0.85 -0.11 0.00 -2.27 0.00 0.00 64.05 60.98 1jdf n THR 11 Cb 0.40 -0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 68.10 1jdf n THR 11 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1jdf s GLU 12 N -2.50 1.18 -0.19 -0.78 -1.05 -1.14 -4.84 118.70 109.38 1jdf s GLU 12 Ca -0.10 -0.45 -0.16 0.00 -0.15 0.00 0.00 54.97 54.11 1jdf s GLU 12 Cb 0.06 0.54 0.05 0.00 -0.44 0.00 0.00 34.13 34.34 1jdf s GLU 12 CO 0.83 -0.52 0.49 1.41 0.95 0.00 0.00 175.26 178.43 1jdf s MET 13 N -3.60 0.57 0.06 -4.83 1.75 -1.26 -1.67 119.30 110.33 1jdf s MET 13 Ca 0.02 0.71 -0.08 0.00 -1.25 0.00 0.00 55.69 55.10 1jdf s MET 13 Cb -0.01 0.25 -0.00 0.00 2.84 0.00 0.00 34.83 37.90 1jdf s MET 13 CO -0.11 -0.08 0.17 1.14 -0.65 0.00 0.00 175.02 175.48 1jdf s GLN 14 N 0.41 0.74 -0.09 4.11 -2.07 -0.78 -5.00 119.66 116.98 1jdf s GLN 14 Ca -0.01 -0.83 0.04 0.00 -1.82 0.00 0.00 55.36 52.74 1jdf s GLN 14 Cb -0.04 0.30 -0.00 0.00 -1.09 0.00 0.00 33.01 32.18 1jdf s GLN 14 CO -0.01 -0.22 -0.23 0.54 -1.32 0.00 0.00 175.29 174.05 1jdf s VAL 15 N -3.24 2.00 -0.25 3.63 0.11 -1.26 -1.82 120.40 119.58 1jdf s VAL 15 Ca 0.00 -0.99 0.01 0.00 -2.93 0.00 0.00 61.98 58.07 1jdf s VAL 15 Cb 0.02 -1.73 0.06 0.00 -1.53 0.00 0.00 36.38 33.21 1jdf s VAL 15 CO -0.08 0.55 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.57 1jdf s ILE 16 N 0.28 1.55 0.30 7.04 1.01 0.09 -4.95 121.20 126.52 1jdf s ILE 16 Ca -0.16 -1.31 -0.29 0.00 0.00 0.00 0.00 60.65 58.89 1jdf s ILE 16 Cb -0.17 -1.85 -0.10 0.00 0.01 0.00 0.00 42.46 40.34 1jdf s ILE 16 CO 0.08 -0.17 1.28 -2.16 0.00 0.00 0.00 174.94 173.97 1jdf s PRO 17 N 1.37 4.40 0.14 2.79 0.04 -1.26 -1.79 135.00 140.69 1jdf s PRO 17 Ca -0.04 2.14 0.01 0.00 0.04 0.00 0.00 61.00 63.14 1jdf s PRO 17 Cb -0.19 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1jdf s PRO 17 CO -0.07 -0.14 0.01 0.14 0.04 0.00 0.00 177.00 176.97 1jdf s VAL 18 N -0.93 0.47 0.06 -0.36 -7.23 -0.36 -4.19 120.40 107.86 1jdf s VAL 18 Ca 0.50 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 1jdf s VAL 18 Cb -0.38 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 1jdf s VAL 18 CO 0.49 -0.56 -0.05 0.00 -0.31 0.00 0.00 175.10 174.67 1jdf s ALA 19 N -3.79 0.61 0.24 1.32 0.00 -0.86 -1.46 121.76 117.83 1jdf s ALA 19 Ca 0.21 -1.14 0.05 0.00 0.00 0.00 0.00 51.96 51.08 1jdf s ALA 19 Cb 0.07 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.37 1jdf s ALA 19 CO 0.01 -0.27 0.22 0.41 0.00 0.00 0.00 175.76 176.13 1jdf n GLY 20 N 0.37 3.13 3.89 0.00 0.00 0.30 -4.67 105.19 108.20 1jdf n GLY 20 Ca -0.15 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 1jdf n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jdf s HIS 21 N -3.03 3.56 0.02 1.61 3.76 -1.26 -1.63 115.29 118.32 1jdf s HIS 21 Ca 0.28 0.42 -0.05 0.00 -0.15 0.00 0.00 55.06 55.57 1jdf s HIS 21 Cb 0.01 -1.87 -0.01 0.00 1.11 0.00 0.00 32.58 31.82 1jdf s HIS 21 CO 0.20 0.68 0.07 0.34 -0.85 0.00 0.00 174.74 175.18 1jdf s ASP 22 N -1.58 0.16 0.88 1.40 2.15 -0.38 -4.79 116.67 114.51 1jdf s ASP 22 Ca 0.22 -0.44 -0.14 0.00 0.43 0.00 0.00 52.55 52.62 1jdf s ASP 22 Cb -0.12 0.19 0.13 0.00 -0.30 0.00 0.00 42.92 42.82 1jdf s ASP 22 CO 0.13 -0.42 1.24 -0.44 -0.17 0.00 0.00 175.17 175.52 1jdf s SER 23 N -1.76 3.86 -1.52 -0.34 0.01 -1.26 -4.44 113.70 108.26 1jdf s SER 23 Ca -0.10 0.55 -0.10 0.00 1.31 0.00 0.00 55.95 57.61 1jdf s SER 23 Cb -0.05 -0.84 -0.01 0.00 0.21 0.00 0.00 66.02 65.33 1jdf s SER 23 CO -0.02 -2.29 2.65 0.80 0.41 0.00 0.00 173.24 174.80 1jdf n MET 24 N -3.53 3.68 -2.07 12.44 1.56 -1.26 -4.61 117.12 123.33 1jdf n MET 24 Ca 0.11 -2.58 -0.42 0.00 -0.27 0.00 0.00 57.70 54.54 1jdf n MET 24 Cb 0.60 -2.88 -0.03 0.00 2.15 0.00 0.00 33.22 33.07 1jdf n MET 24 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1jdf s LEU 25 N 0.18 4.33 0.09 -0.89 1.43 -1.26 -0.95 118.68 121.60 1jdf s LEU 25 Ca 0.61 2.25 -0.14 0.00 -1.03 0.00 0.00 54.13 55.82 1jdf s LEU 25 Cb 0.17 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.77 1jdf s LEU 25 CO -0.07 -0.84 0.49 -0.04 0.23 0.00 0.00 176.35 176.13 1jdf s MET 26 N 3.06 3.95 0.36 1.70 -1.94 -0.78 -0.72 119.30 124.93 1jdf s MET 26 Ca 0.70 0.44 -0.15 0.00 -1.71 0.00 0.00 55.69 54.97 1jdf s MET 26 Cb -0.34 -3.04 0.04 0.00 2.01 0.00 0.00 34.83 33.50 1jdf s MET 26 CO 0.29 0.56 0.74 0.54 -0.01 0.00 0.00 175.02 177.14 1jdf s ASN 27 N -1.52 0.03 0.38 3.03 2.20 0.20 -4.52 114.94 114.75 1jdf s ASN 27 Ca 0.33 -1.07 0.11 0.00 -0.94 0.00 0.00 52.86 51.29 1jdf s ASN 27 Cb -0.16 0.81 0.91 0.00 -2.00 0.00 0.00 41.25 40.81 1jdf s ASN 27 CO 0.18 -1.58 1.89 0.25 -2.94 0.00 0.00 177.10 174.90 1jdf h LEU 28 N 2.02 0.55 -0.13 3.54 5.85 -1.68 0.80 115.31 126.25 1jdf h LEU 28 Ca -0.29 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1jdf h LEU 28 Cb 1.25 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1jdf h LEU 28 CO 0.37 0.28 0.00 -1.20 -0.34 0.00 0.00 178.44 177.55 1jdf n SER 29 N -4.52 0.23 0.00 1.25 7.64 -1.26 -4.36 113.62 112.59 1jdf n SER 29 Ca 0.16 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.58 1jdf n SER 29 Cb 0.49 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 1jdf n SER 29 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jdf n GLY 30 N 0.62 0.36 3.14 0.23 0.00 0.27 -3.99 105.19 105.83 1jdf n GLY 30 Ca 0.05 -1.26 -0.28 0.00 0.00 0.00 0.00 46.02 44.53 1jdf n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdf s ALA 31 N -1.42 1.67 0.46 4.61 0.00 -0.71 -0.63 121.76 125.75 1jdf s ALA 31 Ca 0.00 -0.73 -0.25 0.00 0.00 0.00 0.00 51.96 50.98 1jdf s ALA 31 Cb 0.00 -0.60 -0.08 0.00 0.00 0.00 0.00 23.12 22.44 1jdf s ALA 31 CO 0.00 0.26 1.41 -1.01 0.00 0.00 0.00 175.76 176.43 1jdf s HIS 32 N 0.21 2.44 0.71 0.00 3.76 0.10 -4.38 115.29 118.12 1jdf s HIS 32 Ca -0.09 1.28 -0.11 0.00 -0.15 0.00 0.00 55.06 55.99 1jdf s HIS 32 Cb -0.14 -3.90 0.02 0.00 1.11 0.00 0.00 32.58 29.67 1jdf s HIS 32 CO 0.04 -2.92 1.06 0.00 -0.85 0.00 0.00 174.74 172.08 1jdf s ALA 33 N -1.22 2.62 -0.78 -1.40 0.00 -1.26 -4.50 121.76 115.22 1jdf s ALA 33 Ca 0.63 0.07 0.13 0.00 0.00 0.00 0.00 51.96 52.78 1jdf s ALA 33 Cb -0.43 -3.17 0.57 0.00 0.00 0.00 0.00 23.12 20.09 1jdf s ALA 33 CO 0.55 -1.30 1.39 -0.35 0.00 0.00 0.00 175.76 176.05 1jdf n PRO 34 N -3.18 0.06 -4.60 0.00 -0.04 -1.26 -4.52 135.00 121.46 1jdf n PRO 34 Ca 0.08 0.43 -0.23 0.00 -0.04 0.00 0.00 63.50 63.73 1jdf n PRO 34 Cb 0.54 -1.64 -0.16 0.00 -0.04 0.00 0.00 33.50 32.20 1jdf n PRO 34 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1jdf s PHE 35 N -3.15 1.34 0.19 0.54 0.08 -1.26 -1.25 117.98 114.47 1jdf s PHE 35 Ca 0.03 -0.39 0.09 0.00 0.12 0.00 0.00 56.93 56.78 1jdf s PHE 35 Cb 0.06 -0.93 -0.04 0.00 -0.57 0.00 0.00 43.02 41.53 1jdf s PHE 35 CO 0.19 -0.16 -0.06 -0.59 -0.10 0.00 0.00 175.22 174.50 1jdf s PHE 36 N 0.22 2.69 0.10 0.36 -0.71 -0.64 -4.90 117.98 115.09 1jdf s PHE 36 Ca -0.05 -0.20 0.09 0.00 -1.04 0.00 0.00 56.93 55.72 1jdf s PHE 36 Cb -0.11 -1.29 -0.03 0.00 -1.21 0.00 0.00 43.02 40.37 1jdf s PHE 36 CO 0.02 0.53 -0.23 0.95 -1.34 0.00 0.00 175.22 175.15 1jdf s THR 37 N -1.81 1.90 0.17 -4.49 -4.23 -1.26 -0.54 115.64 105.38 1jdf s THR 37 Ca 0.26 -1.54 -0.04 0.00 -1.18 0.00 0.00 61.69 59.20 1jdf s THR 37 Cb -0.08 -1.69 -0.03 0.00 1.34 0.00 0.00 72.50 72.03 1jdf s THR 37 CO 0.17 0.06 0.16 -0.13 -0.54 0.00 0.00 174.62 174.34 1jdf s ARG 38 N -1.78 1.11 -0.11 3.99 1.81 -0.54 -1.96 118.95 121.48 1jdf s ARG 38 Ca 0.09 -1.43 0.03 0.00 -1.72 0.00 0.00 55.73 52.70 1jdf s ARG 38 Cb -0.10 0.30 0.01 0.00 -0.45 0.00 0.00 34.95 34.71 1jdf s ARG 38 CO 0.04 -0.37 -0.19 -0.80 -0.68 0.00 0.00 175.30 173.30 1jdf s ASN 39 N -3.06 2.69 -0.18 0.23 -0.87 0.53 -1.23 114.94 113.05 1jdf s ASN 39 Ca 0.27 -0.49 -0.07 0.00 -1.57 0.00 0.00 52.86 51.00 1jdf s ASN 39 Cb 0.06 -1.23 -0.04 0.00 -0.02 0.00 0.00 41.25 40.02 1jdf s ASN 39 CO 0.05 0.08 0.07 -0.63 -2.57 0.00 0.00 177.10 174.10 1jdf s ILE 40 N 0.68 4.83 -0.12 0.60 -1.09 -0.74 -1.64 121.20 123.72 1jdf s ILE 40 Ca -0.12 -0.02 -0.02 0.00 -2.23 0.00 0.00 60.65 58.26 1jdf s ILE 40 Cb -0.16 -3.17 -0.03 0.00 -1.58 0.00 0.00 42.46 37.52 1jdf s ILE 40 CO 0.03 0.47 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.48 1jdf s VAL 41 N 0.28 3.92 -0.08 2.92 1.01 0.47 -0.73 120.40 128.19 1jdf s VAL 41 Ca 0.04 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 1jdf s VAL 41 Cb -0.12 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.61 1jdf s VAL 41 CO 0.00 0.54 -0.04 -0.63 0.00 0.00 0.00 175.10 174.97 1jdf s ILE 42 N -0.19 0.66 -0.02 2.22 1.01 -0.75 -0.97 121.20 123.15 1jdf s ILE 42 Ca 0.04 -0.10 0.05 0.00 0.00 0.00 0.00 60.65 60.63 1jdf s ILE 42 Cb -0.13 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 1jdf s ILE 42 CO 0.02 0.29 -0.16 -0.63 0.00 0.00 0.00 174.94 174.46 1jdf s ILE 43 N 1.52 1.31 0.12 2.92 1.01 -0.06 -1.87 121.20 126.15 1jdf s ILE 43 Ca -0.01 -0.69 0.08 0.00 0.00 0.00 0.00 60.65 60.03 1jdf s ILE 43 Cb -0.13 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1jdf s ILE 43 CO -0.04 0.37 -0.19 -0.54 0.00 0.00 0.00 174.94 174.55 1jdf s LYS 44 N -0.27 1.15 0.40 2.79 1.02 -0.67 0.37 119.74 124.53 1jdf s LYS 44 Ca 0.04 -1.25 0.05 0.00 0.02 0.00 0.00 55.97 54.83 1jdf s LYS 44 Cb -0.08 -1.28 -0.06 0.00 -0.52 0.00 0.00 37.83 35.90 1jdf s LYS 44 CO -0.00 0.28 0.03 0.16 -0.92 0.00 0.00 175.35 174.90 1jdf s ASP 45 N -2.23 3.36 0.00 2.83 3.84 -0.98 0.02 116.67 123.51 1jdf s ASP 45 Ca 0.09 -1.43 0.00 0.00 -0.00 0.00 0.00 52.55 51.22 1jdf s ASP 45 Cb -0.08 -0.12 0.00 0.00 -1.38 0.00 0.00 42.92 41.34 1jdf s ASP 45 CO 0.05 -0.58 0.59 -0.46 -0.00 0.00 0.00 175.17 174.77 1jdf n ASN 46 N -0.94 0.44 -0.76 2.11 6.94 -0.11 -2.27 115.26 120.68 1jdf n ASN 46 Ca -0.06 -1.63 0.08 0.00 -0.02 0.00 0.00 54.58 52.96 1jdf n ASN 46 Cb 0.67 -0.22 0.12 0.00 -2.36 0.00 0.00 39.78 37.99 1jdf n ASN 46 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1jdf n SER 47 N -0.18 2.72 0.00 0.53 3.41 -1.26 -4.92 113.62 113.92 1jdf n SER 47 Ca 0.00 -1.79 0.00 0.00 -0.26 0.00 0.00 58.87 56.82 1jdf n SER 47 Cb 0.11 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1jdf n SER 47 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jdf n GLY 48 N 0.95 0.41 3.60 5.00 0.00 -0.96 -5.06 105.19 109.12 1jdf n GLY 48 Ca 0.12 -0.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 1jdf n GLY 48 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jdf s HIS 49 N -2.00 2.72 -0.10 1.61 3.76 -1.25 -4.99 115.29 115.04 1jdf s HIS 49 Ca 0.00 -0.18 0.02 0.00 -0.15 0.00 0.00 55.06 54.75 1jdf s HIS 49 Cb 0.00 -1.35 0.01 0.00 1.11 0.00 0.00 32.58 32.35 1jdf s HIS 49 CO 0.00 0.49 -0.17 0.99 -0.85 0.00 0.00 174.74 175.21 1jdf s THR 50 N -1.59 1.54 -0.04 1.30 2.01 -1.26 -2.32 115.64 115.29 1jdf s THR 50 Ca 0.25 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.59 1jdf s THR 50 Cb -0.09 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 1jdf s THR 50 CO 0.16 0.45 -0.15 -0.83 -0.69 0.00 0.00 174.62 173.56 1jdf s GLY 51 N 0.76 1.54 0.19 4.40 0.00 0.16 -4.78 107.32 109.60 1jdf s GLY 51 Ca -0.11 -1.01 0.08 0.00 0.00 0.00 0.00 44.72 43.69 1jdf s GLY 51 CO 0.02 -0.81 -0.17 -1.34 0.00 0.00 0.00 173.10 170.80 1jdf s VAL 52 N -0.76 1.84 0.02 1.40 -7.23 -1.26 -0.89 120.40 113.52 1jdf s VAL 52 Ca 0.12 -2.10 -0.14 0.00 -1.81 0.00 0.00 61.98 58.05 1jdf s VAL 52 Cb -0.11 -1.97 0.02 0.00 0.56 0.00 0.00 36.38 34.88 1jdf s VAL 52 CO 0.01 -0.45 0.30 -0.83 -0.31 0.00 0.00 175.10 173.83 1jdf s GLY 53 N -3.04 -0.13 -0.02 2.32 0.00 -0.15 -2.84 107.32 103.46 1jdf s GLY 53 Ca 0.20 0.15 0.01 0.00 0.00 0.00 0.00 44.72 45.08 1jdf s GLY 53 CO 0.07 -0.06 -0.01 1.85 0.00 0.00 0.00 173.10 174.96 1jdf s GLU 54 N -1.96 0.28 0.23 2.90 2.12 -1.26 -0.40 118.70 120.62 1jdf s GLU 54 Ca -0.09 0.03 -0.04 0.00 0.36 0.00 0.00 54.97 55.23 1jdf s GLU 54 Cb -0.03 -0.41 -0.03 0.00 0.26 0.00 0.00 34.13 33.92 1jdf s GLU 54 CO 0.00 -0.08 0.25 0.96 -0.54 0.00 0.00 175.26 175.86 1jdf s ILE 55 N 0.72 0.00 0.59 -3.70 -4.36 -0.65 -4.72 121.20 109.08 1jdf s ILE 55 Ca -0.07 -1.82 -0.18 0.00 -0.26 0.00 0.00 60.65 58.32 1jdf s ILE 55 Cb -0.10 -2.43 -0.08 0.00 1.25 0.00 0.00 42.46 41.10 1jdf s ILE 55 CO -0.01 0.00 0.50 -2.65 0.24 0.00 0.00 174.94 173.02 1jdf n PRO 56 N -0.34 0.47 -2.28 0.37 -0.02 -1.26 -0.34 135.00 131.59 1jdf n PRO 56 Ca 0.01 0.19 -0.26 0.00 -2.02 0.00 0.00 63.50 61.42 1jdf n PRO 56 Cb 0.64 -1.70 0.13 0.00 -0.02 0.00 0.00 33.50 32.56 1jdf n PRO 56 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1jdf s GLY 57 N -1.21 1.76 0.00 -1.23 0.00 -0.83 -3.74 107.32 102.08 1jdf s GLY 57 Ca 0.68 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.98 1jdf s GLY 57 CO 0.55 -0.79 0.00 0.61 0.00 0.00 0.00 173.10 173.47 1jdf n GLY 58 N -3.22 4.14 0.21 0.20 0.00 -1.26 -4.53 105.19 100.73 1jdf n GLY 58 Ca 0.14 -1.41 -0.03 0.00 0.00 0.00 0.00 46.02 44.72 1jdf n GLY 58 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jdf h GLU 59 N 0.00 0.36 -0.23 1.61 4.57 -1.92 -2.05 114.58 116.93 1jdf h GLU 59 Ca 0.00 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 1jdf h GLU 59 Cb 0.00 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1jdf h GLU 59 CO 0.00 0.67 0.11 -0.22 -1.18 0.00 0.00 179.01 178.39 1jdf h LYS 60 N 0.31 0.33 -0.48 1.92 1.63 -1.99 0.10 116.57 118.39 1jdf h LYS 60 Ca 0.04 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.74 1jdf h LYS 60 Cb 0.77 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 1jdf h LYS 60 CO 0.06 0.35 0.13 0.82 -3.45 0.00 0.00 179.45 177.37 1jdf h ILE 61 N 0.23 1.23 -0.03 2.00 2.04 -1.87 -0.35 117.51 120.76 1jdf h ILE 61 Ca 0.08 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1jdf h ILE 61 Cb 0.13 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1jdf h ILE 61 CO -0.01 0.29 0.02 -0.09 0.00 0.00 0.00 178.15 178.36 1jdf h ARG 62 N 0.65 0.04 -0.59 2.37 2.43 -1.14 -0.91 114.38 117.23 1jdf h ARG 62 Ca 0.15 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1jdf h ARG 62 Cb 0.30 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 1jdf h ARG 62 CO -0.00 0.03 0.23 -0.22 -1.51 0.00 0.00 179.97 178.49 1jdf h LYS 63 N 0.04 0.89 -0.78 0.20 1.63 -0.69 -1.72 116.57 116.13 1jdf h LYS 63 Ca 0.01 -0.17 -0.03 0.00 -0.85 0.00 0.00 60.65 59.62 1jdf h LYS 63 Cb -0.00 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.45 1jdf h LYS 63 CO -0.00 0.77 0.39 1.15 -3.45 0.00 0.00 179.45 178.30 1jdf h THR 64 N 0.82 1.24 -0.71 1.00 2.02 -0.87 0.10 112.91 116.50 1jdf h THR 64 Ca 0.20 -0.66 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 1jdf h THR 64 Cb 0.22 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 1jdf h THR 64 CO -0.01 0.28 0.32 -0.07 0.37 0.00 0.00 175.52 176.41 1jdf h LEU 65 N 1.11 0.96 -0.66 2.58 3.38 -0.81 -1.84 115.31 120.02 1jdf h LEU 65 Ca 0.27 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1jdf h LEU 65 Cb 0.09 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1jdf h LEU 65 CO -0.04 0.84 0.20 -0.08 0.09 0.00 0.00 178.44 179.45 1jdf h GLU 66 N 1.01 1.03 0.00 1.13 4.81 -0.47 -2.36 114.58 119.73 1jdf h GLU 66 Ca 0.24 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1jdf h GLU 66 Cb 0.15 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1jdf h GLU 66 CO -0.03 0.91 -0.16 -0.44 -0.73 0.00 0.00 179.01 178.56 1jdf h ASP 67 N 0.96 0.00 1.87 1.04 3.45 -0.67 -2.77 116.42 120.30 1jdf h ASP 67 Ca 0.21 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.67 1jdf h ASP 67 Cb 0.31 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.08 1jdf h ASP 67 CO -0.00 0.16 0.00 0.00 -1.57 0.00 0.00 179.24 177.82 1jdf h ALA 68 N 1.84 1.00 -0.82 3.45 0.00 -0.81 -3.37 119.26 120.54 1jdf h ALA 68 Ca -0.00 0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.09 1jdf h ALA 68 Cb 0.30 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.94 1jdf h ALA 68 CO 0.02 0.00 -0.08 0.82 0.00 0.00 0.00 179.25 180.01 1jdf h ILE 69 N 0.00 0.22 -0.06 0.00 2.04 -1.26 0.20 117.51 118.66 1jdf h ILE 69 Ca 0.00 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 65.86 1jdf h ILE 69 Cb 0.93 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1jdf h ILE 69 CO 0.00 0.01 0.06 -0.65 0.00 0.00 0.00 178.15 177.57 1jdf h PRO 70 N 0.05 0.00 0.00 2.37 0.11 -1.81 -0.34 132.00 132.38 1jdf h PRO 70 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1jdf h PRO 70 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1jdf h PRO 70 CO -0.79 0.00 -0.04 1.28 -0.21 0.00 0.00 178.00 178.24 1jdf n LEU 71 N -3.92 0.41 -0.09 2.35 4.77 0.71 -4.27 117.00 116.97 1jdf n LEU 71 Ca -0.02 0.51 -0.17 0.00 -0.03 0.00 0.00 56.01 56.30 1jdf n LEU 71 Cb 0.16 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 40.79 1jdf n LEU 71 CO 0.28 -0.08 -0.99 0.52 -1.33 0.00 0.00 177.39 175.79 1jdf n VAL 72 N -1.87 1.27 -1.75 4.08 0.31 -0.23 -4.89 118.33 115.26 1jdf n VAL 72 Ca 0.06 -0.12 -0.42 0.00 -0.01 0.00 0.00 64.34 63.85 1jdf n VAL 72 Cb 0.38 -1.93 -0.01 0.00 -0.91 0.00 0.00 33.84 31.38 1jdf n VAL 72 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1jdf n VAL 73 N -4.06 1.28 -0.34 2.52 0.31 -0.66 -2.36 118.33 115.02 1jdf n VAL 73 Ca -0.31 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 1jdf n VAL 73 Cb 0.66 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1jdf n VAL 73 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jdf n GLY 74 N 1.72 0.67 3.85 2.92 0.00 0.13 -4.93 105.19 109.55 1jdf n GLY 74 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1jdf n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jdf s LYS 75 N -0.66 3.25 0.50 1.61 -0.14 -0.99 -4.82 119.74 118.48 1jdf s LYS 75 Ca 0.00 -0.41 -0.18 0.00 -1.36 0.00 0.00 55.97 54.02 1jdf s LYS 75 Cb 0.00 -2.98 -0.08 0.00 -1.68 0.00 0.00 37.83 33.09 1jdf s LYS 75 CO 0.00 0.66 0.99 0.95 -0.76 0.00 0.00 175.35 177.19 1jdf s THR 76 N -1.27 4.30 0.45 2.17 -4.23 -1.26 -1.03 115.64 114.76 1jdf s THR 76 Ca 0.26 1.24 0.16 0.00 -1.18 0.00 0.00 61.69 62.17 1jdf s THR 76 Cb -0.12 -3.60 0.35 0.00 1.34 0.00 0.00 72.50 70.46 1jdf s THR 76 CO 0.17 -0.50 1.96 -0.07 -0.54 0.00 0.00 174.62 175.64 1jdf h LEU 77 N 1.23 0.31 -0.28 4.79 3.38 -1.82 -0.31 115.31 122.62 1jdf h LEU 77 Ca -0.48 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1jdf h LEU 77 Cb 1.19 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1jdf h LEU 77 CO 0.60 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.92 1jdf n GLY 78 N -1.54 -0.92 1.11 0.83 0.00 -1.26 -1.69 105.19 101.72 1jdf n GLY 78 Ca 0.11 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1jdf n GLY 78 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jdf n GLU 79 N -1.72 2.41 -0.27 1.61 1.02 -0.13 -4.54 120.64 119.03 1jdf n GLU 79 Ca 0.02 -2.18 0.10 0.00 -0.02 0.00 0.00 57.16 55.08 1jdf n GLU 79 Cb 0.13 -1.49 0.34 0.00 -0.02 0.00 0.00 31.44 30.40 1jdf n GLU 79 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 1jdf h TYR 80 N 3.76 0.88 -0.50 -0.32 -0.00 -1.45 0.29 116.97 119.63 1jdf h TYR 80 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 58.73 58.63 1jdf h TYR 80 Cb 0.85 -0.28 -0.01 0.00 0.00 0.00 0.00 36.73 37.28 1jdf h TYR 80 CO 0.35 0.37 -0.18 0.87 -0.00 0.00 0.00 178.16 179.57 1jdf h LYS 81 N 0.78 1.00 -0.20 0.10 1.57 -1.85 -0.40 116.57 117.58 1jdf h LYS 81 Ca 0.43 -0.41 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 1jdf h LYS 81 Cb 0.56 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1jdf h LYS 81 CO -0.19 1.09 -0.42 -0.91 -0.57 0.00 0.00 179.45 178.45 1jdf h ASN 82 N 0.86 0.50 -0.27 0.86 2.35 -1.48 -2.50 115.58 115.91 1jdf h ASN 82 Ca 0.12 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.58 1jdf h ASN 82 Cb 0.76 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1jdf h ASN 82 CO 0.06 0.86 -0.06 0.58 -1.65 0.00 0.00 177.43 177.22 1jdf h VAL 83 N 0.39 1.28 -0.78 2.81 2.07 -0.26 -1.14 116.25 120.62 1jdf h VAL 83 Ca 0.03 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1jdf h VAL 83 Cb 0.90 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 1jdf h VAL 83 CO 0.08 0.34 0.46 -0.07 0.02 0.00 0.00 177.57 178.40 1jdf h LEU 84 N 0.27 0.94 -0.83 2.57 3.38 -1.02 -0.11 115.31 120.51 1jdf h LEU 84 Ca 0.07 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1jdf h LEU 84 Cb 0.54 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1jdf h LEU 84 CO 0.03 0.74 -0.21 0.74 0.09 0.00 0.00 178.44 179.83 1jdf h THR 85 N 1.07 1.26 -0.33 0.22 2.02 -1.35 -0.21 112.91 115.60 1jdf h THR 85 Ca 0.28 -1.26 -0.08 0.00 0.77 0.00 0.00 66.41 66.11 1jdf h THR 85 Cb -0.02 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1jdf h THR 85 CO -0.05 0.41 -0.11 0.25 0.37 0.00 0.00 175.52 176.39 1jdf h LEU 86 N 0.57 0.67 -0.90 2.58 5.85 -0.68 -1.48 115.31 121.93 1jdf h LEU 86 Ca 0.09 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1jdf h LEU 86 Cb 0.67 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1jdf h LEU 86 CO 0.05 0.90 0.47 0.58 -0.34 0.00 0.00 178.44 180.11 1jdf h VAL 87 N 0.44 1.26 -0.07 1.05 2.07 -0.80 -1.08 116.25 119.12 1jdf h VAL 87 Ca 0.08 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1jdf h VAL 87 Cb 0.63 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1jdf h VAL 87 CO 0.04 0.30 0.01 -0.09 0.02 0.00 0.00 177.57 177.85 1jdf h ARG 88 N 1.25 0.11 -0.25 1.57 2.43 -0.84 -2.88 114.38 115.78 1jdf h ARG 88 Ca 0.31 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.34 1jdf h ARG 88 Cb 0.05 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1jdf h ARG 88 CO -0.05 0.33 -0.31 -0.91 -1.51 0.00 0.00 179.97 177.52 1jdf h ASN 89 N -0.13 0.52 -0.87 -3.80 2.35 -1.17 -1.58 115.58 110.91 1jdf h ASN 89 Ca 0.02 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.55 1jdf h ASN 89 Cb 0.27 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 1jdf h ASN 89 CO 0.00 0.81 0.48 0.74 -1.65 0.00 0.00 177.43 177.81 1jdf h THR 90 N 0.44 1.25 -0.28 2.81 2.02 -1.16 -3.19 112.91 114.80 1jdf h THR 90 Ca 0.05 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1jdf h THR 90 Cb 0.76 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1jdf h THR 90 CO 0.06 0.28 0.00 0.49 0.37 0.00 0.00 175.52 176.72 1jdf n PHE 91 N -4.37 0.74 -0.31 3.16 3.72 -1.09 -4.78 117.46 114.53 1jdf n PHE 91 Ca 0.09 -0.74 0.12 0.00 -0.05 0.00 0.00 57.45 56.87 1jdf n PHE 91 Cb 0.09 -0.21 0.30 0.00 -0.94 0.00 0.00 39.48 38.72 1jdf n PHE 91 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jdf h ALA 92 N 1.83 1.47 0.00 4.37 0.00 -1.27 -2.11 119.26 123.54 1jdf h ALA 92 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1jdf h ALA 92 Cb 1.17 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1jdf h ALA 92 CO 0.14 -0.23 0.00 0.38 0.00 0.00 0.00 179.25 179.53 1jdf h ASP 93 N 0.52 0.00 0.48 0.00 3.04 -1.86 -2.07 116.42 116.54 1jdf h ASP 93 Ca 0.55 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.34 1jdf h ASP 93 Cb 0.96 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.25 1jdf h ASP 93 CO -0.46 0.00 0.00 0.54 -2.04 0.00 0.00 179.24 177.28 1jdf n ARG 94 N -2.50 0.13 -0.25 4.15 1.74 -0.79 -1.64 116.66 117.51 1jdf n ARG 94 Ca -0.01 0.15 0.07 0.00 -0.77 0.00 0.00 57.85 57.30 1jdf n ARG 94 Cb 0.10 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.25 1jdf n ARG 94 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1jdf n ASP 95 N -1.39 3.28 -0.32 0.55 9.92 -0.78 -4.47 116.55 123.35 1jdf n ASP 95 Ca 0.07 -2.04 0.17 0.00 -0.53 0.00 0.00 54.79 52.46 1jdf n ASP 95 Cb 0.18 -0.32 0.36 0.00 -0.64 0.00 0.00 41.12 40.70 1jdf n ASP 95 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jdf h ALA 96 N 2.69 1.61 0.00 2.24 0.00 -1.45 0.13 119.26 124.48 1jdf h ALA 96 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1jdf h ALA 96 Cb 0.84 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1jdf h ALA 96 CO 0.01 -0.42 0.00 0.78 0.00 0.00 0.00 179.25 179.63 1jdf h GLY 97 N 0.37 0.00 0.00 0.00 0.00 -1.84 -3.49 103.07 98.12 1jdf h GLY 97 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.95 1jdf h GLY 97 CO -0.57 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.58 1jdf n GLY 98 N -0.20 -1.79 0.14 4.60 0.00 0.43 -4.41 105.19 103.95 1jdf n GLY 98 Ca 0.01 -1.34 -0.07 0.00 0.00 0.00 0.00 46.02 44.62 1jdf n GLY 98 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1jdf h ARG 99 N 0.00 0.22 0.00 1.61 2.43 -1.92 -3.34 114.38 113.39 1jdf h ARG 99 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1jdf h ARG 99 Cb 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1jdf h ARG 99 CO 0.00 0.15 0.00 0.41 -1.51 0.00 0.00 179.97 179.02 1jdf n GLY 100 N -1.20 -3.95 0.82 2.80 0.00 -1.26 0.06 105.19 102.47 1jdf n GLY 100 Ca -0.00 -2.13 0.09 0.00 0.00 0.00 0.00 46.02 43.98 1jdf n GLY 100 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jdf n LEU 101 N 0.00 2.86 -4.77 0.99 4.77 -1.26 -4.94 117.00 114.64 1jdf n LEU 101 Ca 0.00 -1.39 -0.30 0.00 -0.03 0.00 0.00 56.01 54.29 1jdf n LEU 101 Cb 0.00 -0.14 0.20 0.00 -2.33 0.00 0.00 43.42 41.15 1jdf n LEU 101 CO 0.00 0.60 0.75 -1.10 -1.33 0.00 0.00 177.39 176.31 1jdf s GLN 102 N -1.29 -0.01 0.48 3.23 -1.52 -1.26 -4.88 119.66 114.42 1jdf s GLN 102 Ca 0.27 -0.15 0.29 0.00 -1.95 0.00 0.00 55.36 53.83 1jdf s GLN 102 Cb 0.16 -1.75 1.02 0.00 -0.22 0.00 0.00 33.01 32.23 1jdf s GLN 102 CO 0.23 -2.89 1.85 1.79 -0.25 0.00 0.00 175.29 176.02 1jdf h THR 103 N -1.99 0.00 -3.53 -0.19 1.35 -1.94 -3.44 112.91 103.17 1jdf h THR 103 Ca -0.46 -0.62 -0.66 0.00 -0.55 0.00 0.00 66.41 64.11 1jdf h THR 103 Cb 1.28 1.60 -0.17 0.00 -1.73 0.00 0.00 68.15 69.13 1jdf h THR 103 CO 0.41 0.00 -0.78 0.72 -0.25 0.00 0.00 175.52 175.62 1jdf s PHE 104 N -3.48 2.58 0.08 4.73 -0.12 -1.26 -5.03 117.98 115.48 1jdf s PHE 104 Ca 0.03 -0.24 -0.31 0.00 -0.05 0.00 0.00 56.93 56.37 1jdf s PHE 104 Cb 0.08 -1.34 -0.07 0.00 -0.63 0.00 0.00 43.02 41.06 1jdf s PHE 104 CO 0.57 0.42 1.39 0.34 -0.05 0.00 0.00 175.22 177.89 1jdf s ASP 105 N -2.31 6.84 0.00 1.98 -1.08 -1.26 -4.87 116.67 115.96 1jdf s ASP 105 Ca 0.20 2.26 0.21 0.00 -0.52 0.00 0.00 52.55 54.70 1jdf s ASP 105 Cb -0.10 -2.58 0.54 0.00 -1.46 0.00 0.00 42.92 39.32 1jdf s ASP 105 CO 0.12 -0.67 1.45 0.18 0.52 0.00 0.00 175.17 176.77 1jdf n LEU 106 N 4.35 2.76 -4.73 -1.34 4.77 0.11 -4.98 117.00 117.95 1jdf n LEU 106 Ca 0.12 -1.23 -0.30 0.00 -0.03 0.00 0.00 56.01 54.57 1jdf n LEU 106 Cb 0.43 -0.23 0.13 0.00 -2.33 0.00 0.00 43.42 41.41 1jdf n LEU 106 CO 0.59 0.61 0.67 -0.13 -1.33 0.00 0.00 177.39 177.80 1jdf s ARG 107 N -1.54 1.48 0.04 3.23 0.52 -1.25 -4.93 118.95 116.49 1jdf s ARG 107 Ca 0.36 0.92 -0.00 0.00 -0.52 0.00 0.00 55.73 56.49 1jdf s ARG 107 Cb 0.20 -1.83 -0.00 0.00 0.52 0.00 0.00 34.95 33.84 1jdf s ARG 107 CO 0.28 -2.12 -0.01 2.41 0.02 0.00 0.00 175.30 175.89 1jdf n THR 108 N -3.81 0.57 -0.30 0.02 -1.04 -1.26 -4.79 114.28 103.67 1jdf n THR 108 Ca 0.08 0.19 0.09 0.00 -2.04 0.00 0.00 64.05 62.37 1jdf n THR 108 Cb 0.55 -1.29 0.32 0.00 -1.82 0.00 0.00 70.33 68.09 1jdf n THR 108 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1jdf h THR 109 N -0.02 0.89 -0.19 12.58 2.02 -1.85 -1.74 112.91 124.60 1jdf h THR 109 Ca 0.00 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 1jdf h THR 109 Cb 0.02 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.42 1jdf h THR 109 CO 0.00 0.15 -0.18 -0.29 0.37 0.00 0.00 175.52 175.57 1jdf h ILE 110 N 0.82 1.22 -0.26 3.11 6.09 -1.93 -0.32 117.51 126.24 1jdf h ILE 110 Ca 0.45 -1.00 -0.10 0.00 -1.37 0.00 0.00 64.86 62.84 1jdf h ILE 110 Cb 0.58 1.27 -0.00 0.00 0.47 0.00 0.00 36.82 39.14 1jdf h ILE 110 CO -0.21 0.31 -0.21 0.45 -3.07 0.00 0.00 178.15 175.42 1jdf h HIS 111 N 0.30 0.71 -0.21 2.19 3.86 -1.50 -2.36 115.15 118.16 1jdf h HIS 111 Ca 0.06 -0.20 0.03 0.00 -1.16 0.00 0.00 60.37 59.09 1jdf h HIS 111 Cb 0.50 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.78 1jdf h HIS 111 CO 0.01 0.90 0.02 0.28 0.86 0.00 0.00 177.93 180.00 1jdf h VAL 112 N 0.32 0.88 -0.39 2.45 2.07 -0.91 -0.86 116.25 119.80 1jdf h VAL 112 Ca 0.05 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.62 1jdf h VAL 112 Cb 0.76 0.78 -0.08 0.00 -1.52 0.00 0.00 31.29 31.23 1jdf h VAL 112 CO 0.06 0.02 -0.13 0.58 0.02 0.00 0.00 177.57 178.11 1jdf h VAL 113 N 0.09 0.53 -0.62 2.57 2.07 -1.00 -1.61 116.25 118.28 1jdf h VAL 113 Ca 0.10 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.64 1jdf h VAL 113 Cb 0.11 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1jdf h VAL 113 CO -0.15 0.00 0.39 0.74 0.02 0.00 0.00 177.57 178.57 1jdf h THR 114 N -0.05 1.09 -0.52 2.57 2.02 -0.91 0.24 112.91 117.35 1jdf h THR 114 Ca 0.19 -0.26 0.06 0.00 0.77 0.00 0.00 66.41 67.17 1jdf h THR 114 Cb 0.34 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 1jdf h THR 114 CO -0.43 0.14 0.22 1.23 0.37 0.00 0.00 175.52 177.05 1jdf h GLY 115 N 0.77 0.72 1.39 2.16 0.00 -0.26 0.29 103.07 108.15 1jdf h GLY 115 Ca 0.25 -0.14 -0.14 0.00 0.00 0.00 0.00 47.33 47.30 1jdf h GLY 115 CO -0.09 0.05 -0.40 -2.22 0.00 0.00 0.00 176.54 173.89 1jdf h ILE 116 N 0.43 1.29 -0.06 2.60 2.04 -1.01 -2.96 117.51 119.85 1jdf h ILE 116 Ca 0.24 -1.56 -0.00 0.00 1.00 0.00 0.00 64.86 64.54 1jdf h ILE 116 Cb 0.22 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1jdf h ILE 116 CO -0.21 0.50 0.03 -0.08 0.00 0.00 0.00 178.15 178.39 1jdf h GLU 117 N 0.55 0.08 -0.36 2.37 4.81 -0.03 0.91 114.58 122.91 1jdf h GLU 117 Ca 0.05 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1jdf h GLU 117 Cb 0.92 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.23 1jdf h GLU 117 CO 0.08 0.12 0.03 0.00 -0.73 0.00 0.00 179.01 178.52 1jdf h ALA 118 N 0.95 0.35 -0.52 2.92 0.00 -0.44 0.17 119.26 122.70 1jdf h ALA 118 Ca 0.02 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1jdf h ALA 118 Cb 0.07 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1jdf h ALA 118 CO -0.00 -0.37 0.01 0.00 0.00 0.00 0.00 179.25 178.89 1jdf h ALA 119 N 1.29 0.70 -0.52 0.00 0.00 -1.34 -1.31 119.26 118.08 1jdf h ALA 119 Ca 0.17 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1jdf h ALA 119 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1jdf h ALA 119 CO -0.26 0.50 0.03 0.52 0.00 0.00 0.00 179.25 180.05 1jdf h MET 120 N 0.78 0.89 0.00 0.00 2.07 -0.39 -1.88 114.93 116.41 1jdf h MET 120 Ca 0.15 -0.27 -0.07 0.00 -2.07 0.00 0.00 59.70 57.44 1jdf h MET 120 Cb 0.51 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 30.14 1jdf h MET 120 CO 0.02 0.90 -0.32 -0.07 1.07 0.00 0.00 176.91 178.52 1jdf h LEU 121 N 0.77 0.00 -0.36 1.22 3.38 -0.58 -0.57 115.31 119.17 1jdf h LEU 121 Ca 0.15 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1jdf h LEU 121 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1jdf h LEU 121 CO 0.02 0.32 -0.00 -0.78 0.09 0.00 0.00 178.44 178.09 1jdf h ASP 122 N 0.00 0.62 -0.38 -0.43 3.58 -0.79 -0.84 116.42 118.18 1jdf h ASP 122 Ca -0.00 -0.31 -0.11 0.00 0.42 0.00 0.00 57.03 57.03 1jdf h ASP 122 Cb 0.62 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 1jdf h ASP 122 CO 0.04 0.78 -0.20 -0.07 -2.88 0.00 0.00 179.24 176.92 1jdf h LEU 123 N 0.45 0.82 -0.40 2.28 3.38 -0.81 -2.39 115.31 118.64 1jdf h LEU 123 Ca 0.10 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1jdf h LEU 123 Cb 0.46 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1jdf h LEU 123 CO 0.02 1.05 0.17 0.25 0.09 0.00 0.00 178.44 180.02 1jdf h LEU 124 N 0.59 0.56 -0.72 1.67 5.85 -1.06 -0.75 115.31 121.44 1jdf h LEU 124 Ca 0.08 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1jdf h LEU 124 Cb 0.75 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1jdf h LEU 124 CO 0.06 0.57 0.47 1.23 -0.34 0.00 0.00 178.44 180.42 1jdf h GLY 125 N 0.51 1.02 1.00 3.75 0.00 -1.12 0.16 103.07 108.39 1jdf h GLY 125 Ca 0.14 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1jdf h GLY 125 CO -0.01 0.39 0.19 1.46 0.00 0.00 0.00 176.54 178.56 1jdf h GLN 126 N 0.98 0.91 -0.14 4.80 4.20 -1.23 0.19 115.11 124.82 1jdf h GLN 126 Ca 0.26 -0.19 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 1jdf h GLN 126 Cb -0.09 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 1jdf h GLN 126 CO -0.05 0.81 -0.34 1.25 -0.67 0.00 0.00 178.83 179.82 1jdf h HIS 127 N 0.82 0.33 -0.00 2.96 2.76 -0.60 -3.03 115.15 118.39 1jdf h HIS 127 Ca 0.19 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1jdf h HIS 127 Cb 0.28 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.16 1jdf h HIS 127 CO 0.02 0.60 -0.59 1.28 -1.30 0.00 0.00 177.93 177.94 1jdf n LEU 128 N -4.08 0.70 -0.05 0.26 4.77 0.51 -4.97 117.00 114.15 1jdf n LEU 128 Ca -0.01 -0.16 -0.01 0.00 -0.03 0.00 0.00 56.01 55.81 1jdf n LEU 128 Cb 0.44 -0.18 -0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1jdf n LEU 128 CO 0.41 0.17 -0.01 0.61 -1.33 0.00 0.00 177.39 177.24 1jdf n GLY 129 N 1.48 0.41 3.21 -0.72 0.00 0.53 -5.05 105.19 105.05 1jdf n GLY 129 Ca 0.06 -1.04 -0.16 0.00 0.00 0.00 0.00 46.02 44.88 1jdf n GLY 129 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jdf s VAL 130 N -2.02 1.11 0.85 1.61 -7.23 -0.35 -4.62 120.40 109.74 1jdf s VAL 130 Ca 0.00 -1.70 -0.11 0.00 -1.81 0.00 0.00 61.98 58.36 1jdf s VAL 130 Cb 0.00 -1.46 0.10 0.00 0.56 0.00 0.00 36.38 35.58 1jdf s VAL 130 CO 0.00 -0.52 1.09 0.54 -0.31 0.00 0.00 175.10 175.91 1jdf s ASN 131 N -2.50 3.94 0.38 4.85 2.20 -1.25 -1.30 114.94 121.25 1jdf s ASN 131 Ca 0.08 1.48 0.06 0.00 -0.94 0.00 0.00 52.86 53.53 1jdf s ASN 131 Cb -0.03 -2.19 0.76 0.00 -2.00 0.00 0.00 41.25 37.79 1jdf s ASN 131 CO 0.01 -2.35 2.00 0.58 -2.94 0.00 0.00 177.10 174.41 1jdf h VAL 132 N -1.35 1.14 -0.96 3.54 2.07 -1.49 -2.20 116.25 117.00 1jdf h VAL 132 Ca -0.48 -0.37 0.16 0.00 0.82 0.00 0.00 66.70 66.84 1jdf h VAL 132 Cb 1.27 0.59 -0.08 0.00 -1.52 0.00 0.00 31.29 31.54 1jdf h VAL 132 CO 0.55 0.16 0.61 0.00 0.02 0.00 0.00 177.57 178.91 1jdf h ALA 133 N 1.66 1.77 0.00 1.67 0.00 -1.86 0.91 119.26 123.42 1jdf h ALA 133 Ca 0.15 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1jdf h ALA 133 Cb 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1jdf h ALA 133 CO -0.02 -0.07 0.00 0.43 0.00 0.00 0.00 179.25 179.59 1jdf n SER 134 N -4.63 0.00 -0.46 0.00 7.64 -0.83 -2.81 113.62 112.53 1jdf n SER 134 Ca 0.20 0.23 0.10 0.00 1.01 0.00 0.00 58.87 60.41 1jdf n SER 134 Cb 0.52 -0.39 -0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1jdf n SER 134 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1jdf n LEU 135 N -1.39 1.91 -4.73 -3.43 4.77 0.30 -4.49 117.00 109.94 1jdf n LEU 135 Ca 0.08 -0.76 -0.32 0.00 -0.03 0.00 0.00 56.01 54.98 1jdf n LEU 135 Cb 0.22 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.23 1jdf n LEU 135 CO 0.19 0.36 -0.29 -0.76 -1.33 0.00 0.00 177.39 175.56 1jdf s LEU 136 N -2.32 3.69 0.00 2.23 1.43 -1.12 -4.95 118.68 117.64 1jdf s LEU 136 Ca 0.17 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1jdf s LEU 136 Cb 0.16 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1jdf s LEU 136 CO 0.51 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.95 1jdf n GLY 137 N 1.04 3.04 1.85 -3.19 0.00 -1.26 -1.05 105.19 105.62 1jdf n GLY 137 Ca -0.12 0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 1jdf n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jdf n ASP 138 N 5.03 3.74 0.00 1.61 10.43 -1.26 -5.06 116.55 131.03 1jdf n ASP 138 Ca 0.00 -3.70 0.00 0.00 2.57 0.00 0.00 54.79 53.66 1jdf n ASP 138 Cb 0.00 -0.76 0.00 0.00 1.84 0.00 0.00 41.12 42.20 1jdf n ASP 138 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1jdf n GLY 139 N -1.10 -2.52 3.73 0.44 0.00 -0.21 -4.91 105.19 100.62 1jdf n GLY 139 Ca 0.50 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 1jdf n GLY 139 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jdf s GLN 140 N -0.43 4.43 -0.03 1.61 0.74 -1.22 -4.57 119.66 120.19 1jdf s GLN 140 Ca 0.00 1.96 0.13 0.00 0.05 0.00 0.00 55.36 57.50 1jdf s GLN 140 Cb 0.00 -3.23 -0.20 0.00 1.10 0.00 0.00 33.01 30.68 1jdf s GLN 140 CO 0.00 -0.20 0.26 1.04 -0.55 0.00 0.00 175.29 175.83 1jdf n GLN 141 N 2.82 0.62 -3.81 1.67 1.13 0.11 -4.99 117.38 114.94 1jdf n GLN 141 Ca 0.06 -0.11 -0.09 0.00 -1.94 0.00 0.00 57.00 54.92 1jdf n GLN 141 Cb 0.44 -1.32 -0.06 0.00 0.11 0.00 0.00 30.24 29.41 1jdf n GLN 141 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 1jdf s ARG 142 N -2.84 1.04 0.00 -1.09 1.70 -1.10 -4.96 118.95 111.71 1jdf s ARG 142 Ca -0.05 -0.93 0.17 0.00 -0.47 0.00 0.00 55.73 54.45 1jdf s ARG 142 Cb 0.08 0.41 -0.06 0.00 -0.57 0.00 0.00 34.95 34.81 1jdf s ARG 142 CO 0.55 -0.38 0.84 -1.13 -1.08 0.00 0.00 175.30 174.10 1jdf n SER 143 N -0.18 1.43 -3.77 -2.89 3.41 -1.26 -4.85 113.62 105.51 1jdf n SER 143 Ca -0.13 -1.22 -0.13 0.00 -0.26 0.00 0.00 58.87 57.13 1jdf n SER 143 Cb 0.63 0.63 -0.09 0.00 -0.26 0.00 0.00 64.21 65.12 1jdf n SER 143 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1jdf s GLU 144 N -2.18 0.62 -0.13 4.33 -1.05 -1.26 -0.70 118.70 118.33 1jdf s GLU 144 Ca 0.12 -0.15 0.02 0.00 -0.15 0.00 0.00 54.97 54.81 1jdf s GLU 144 Cb 0.14 0.28 0.01 0.00 -0.44 0.00 0.00 34.13 34.11 1jdf s GLU 144 CO 0.51 -0.16 -0.21 0.08 0.95 0.00 0.00 175.26 176.43 1jdf s VAL 145 N -1.19 1.92 0.10 1.83 1.01 0.24 -4.92 120.40 119.39 1jdf s VAL 145 Ca -0.12 -0.90 -0.28 0.00 0.00 0.00 0.00 61.98 60.67 1jdf s VAL 145 Cb -0.05 -1.71 -0.06 0.00 0.00 0.00 0.00 36.38 34.56 1jdf s VAL 145 CO 0.04 0.52 0.89 -0.70 0.00 0.00 0.00 175.10 175.85 1jdf s GLU 146 N 0.81 4.64 0.18 2.72 2.12 -1.26 -1.00 118.70 126.91 1jdf s GLU 146 Ca -0.08 1.33 0.09 0.00 0.36 0.00 0.00 54.97 56.67 1jdf s GLU 146 Cb -0.16 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 1jdf s GLU 146 CO -0.01 0.26 -0.11 -1.64 -0.54 0.00 0.00 175.26 173.22 1jdf s MET 147 N -0.11 2.00 0.29 4.30 -1.94 0.88 -1.34 119.30 123.39 1jdf s MET 147 Ca 0.44 -1.29 0.07 0.00 -1.71 0.00 0.00 55.69 53.20 1jdf s MET 147 Cb -0.23 -2.13 -0.03 0.00 2.01 0.00 0.00 34.83 34.46 1jdf s MET 147 CO 0.28 0.43 0.32 -0.48 -0.01 0.00 0.00 175.02 175.56 1jdf s LEU 148 N -2.78 3.89 -0.38 -0.03 0.05 -0.25 -4.65 118.68 114.52 1jdf s LEU 148 Ca 0.24 -0.24 -0.21 0.00 0.05 0.00 0.00 54.13 53.97 1jdf s LEU 148 Cb -0.09 -2.51 0.01 0.00 -2.05 0.00 0.00 46.19 41.55 1jdf s LEU 148 CO 0.14 -0.23 0.65 -0.83 -0.55 0.00 0.00 176.35 175.54 1jdf s GLY 149 N -3.99 1.73 -0.79 -3.48 0.00 0.12 -4.54 107.32 96.36 1jdf s GLY 149 Ca 0.38 -0.92 -0.23 0.00 0.00 0.00 0.00 44.72 43.95 1jdf s GLY 149 CO 0.28 1.53 1.15 -0.47 0.00 0.00 0.00 173.10 175.58 1jdf s TYR 150 N 2.78 2.66 0.24 1.90 6.14 -1.26 -1.29 117.35 128.52 1jdf s TYR 150 Ca 0.25 -0.66 -0.17 0.00 0.64 0.00 0.00 57.07 57.12 1jdf s TYR 150 Cb -0.14 -4.43 -0.08 0.00 0.42 0.00 0.00 41.96 37.73 1jdf s TYR 150 CO 0.16 -1.76 0.69 -0.51 0.64 0.00 0.00 175.55 174.78 1jdf s LEU 151 N 4.29 4.25 0.05 6.97 1.43 0.20 -4.98 118.68 130.89 1jdf s LEU 151 Ca 0.31 1.30 0.01 0.00 -1.03 0.00 0.00 54.13 54.71 1jdf s LEU 151 Cb -0.10 -3.69 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 1jdf s LEU 151 CO 0.04 -0.04 -0.05 -0.36 0.23 0.00 0.00 176.35 176.18 1jdf s PHE 152 N -1.67 0.55 0.03 0.29 0.08 -1.26 -1.08 117.98 114.91 1jdf s PHE 152 Ca 0.46 -0.75 -0.28 0.00 0.12 0.00 0.00 56.93 56.47 1jdf s PHE 152 Cb -0.14 -0.36 -0.04 0.00 -0.57 0.00 0.00 43.02 41.91 1jdf s PHE 152 CO 0.20 -0.21 0.90 -0.06 -0.10 0.00 0.00 175.22 175.94 1jdf s PHE 153 N -2.57 3.70 -0.22 0.36 0.08 -1.26 -4.94 117.98 113.13 1jdf s PHE 153 Ca -0.03 1.62 -0.06 0.00 0.12 0.00 0.00 56.93 58.58 1jdf s PHE 153 Cb -0.02 -3.00 -0.02 0.00 -0.57 0.00 0.00 43.02 39.40 1jdf s PHE 153 CO -0.04 0.11 0.03 0.08 -0.10 0.00 0.00 175.22 175.30 1jdf s VAL 154 N 0.51 4.07 0.89 -0.44 1.01 0.61 -1.86 120.40 125.19 1jdf s VAL 154 Ca 0.46 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 62.06 1jdf s VAL 154 Cb -0.21 -2.87 0.12 0.00 0.00 0.00 0.00 36.38 33.42 1jdf s VAL 154 CO 0.26 0.39 1.09 -0.83 0.00 0.00 0.00 175.10 176.01 1jdf s GLY 155 N 1.30 1.62 -0.68 4.51 0.00 -0.13 -0.14 107.32 113.81 1jdf s GLY 155 Ca 0.04 -0.02 -0.27 0.00 0.00 0.00 0.00 44.72 44.48 1jdf s GLY 155 CO 0.02 0.46 1.21 0.21 0.00 0.00 0.00 173.10 174.99 1jdf s ASN 156 N -3.39 6.24 0.66 1.64 3.04 -1.26 -4.16 114.94 117.70 1jdf s ASN 156 Ca 0.63 -0.37 0.37 0.00 0.04 0.00 0.00 52.86 53.53 1jdf s ASN 156 Cb -0.18 -2.54 2.01 0.00 -1.54 0.00 0.00 41.25 39.00 1jdf s ASN 156 CO 0.57 -1.68 2.16 0.08 -3.04 0.00 0.00 177.10 175.19 1jdf h ARG 157 N 9.83 0.00 0.00 0.43 0.11 -1.92 -0.38 114.38 122.45 1jdf h ARG 157 Ca -0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.81 1jdf h ARG 157 Cb 1.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.13 1jdf h ARG 157 CO 1.24 0.00 0.00 1.63 0.10 0.00 0.00 179.97 182.94 1jdf n LYS 158 N -3.13 0.18 -0.00 0.08 5.02 -1.26 -2.65 118.16 116.40 1jdf n LYS 158 Ca -0.02 0.19 0.12 0.00 -2.02 0.00 0.00 58.31 56.58 1jdf n LYS 158 Cb 0.23 -1.73 0.69 0.00 -0.02 0.00 0.00 35.03 34.20 1jdf n LYS 158 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jdf n ALA 159 N -1.71 2.64 -2.39 7.82 0.00 -0.15 -4.78 120.51 121.93 1jdf n ALA 159 Ca 0.05 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 1jdf n ALA 159 Cb 0.37 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.35 1jdf n ALA 159 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jdf s THR 160 N -2.00 0.77 -2.28 0.00 -4.23 -1.09 -4.71 115.64 102.10 1jdf s THR 160 Ca 0.35 -1.70 0.22 0.00 -1.18 0.00 0.00 61.69 59.37 1jdf s THR 160 Cb 0.16 -1.41 0.48 0.00 1.34 0.00 0.00 72.50 73.07 1jdf s THR 160 CO 0.27 -0.68 1.59 -0.81 -0.54 0.00 0.00 174.62 174.44 1jdf n PRO 161 N 0.39 1.67 -2.03 3.99 -0.04 -1.26 -4.93 135.00 132.79 1jdf n PRO 161 Ca -0.15 -1.01 -0.37 0.00 -0.04 0.00 0.00 63.50 61.93 1jdf n PRO 161 Cb 0.59 -1.40 0.02 0.00 -0.04 0.00 0.00 33.50 32.67 1jdf n PRO 161 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jdf s LEU 162 N -1.62 3.86 -1.58 1.53 1.43 -1.26 -4.92 118.68 116.11 1jdf s LEU 162 Ca 0.33 2.48 -0.10 0.00 -1.03 0.00 0.00 54.13 55.81 1jdf s LEU 162 Cb 0.18 -4.36 -0.05 0.00 0.03 0.00 0.00 46.19 41.98 1jdf s LEU 162 CO 0.27 -1.33 2.82 -0.81 0.23 0.00 0.00 176.35 177.53 1jdf n PRO 163 N -0.98 3.66 -2.54 1.29 -0.04 -1.26 -4.95 135.00 130.17 1jdf n PRO 163 Ca 0.10 -2.36 -0.40 0.00 -0.04 0.00 0.00 63.50 60.80 1jdf n PRO 163 Cb 0.47 -2.85 -0.05 0.00 -0.04 0.00 0.00 33.50 31.03 1jdf n PRO 163 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1jdf s TYR 164 N 2.04 3.66 0.85 0.54 1.51 -1.26 -4.89 117.35 119.81 1jdf s TYR 164 Ca 0.65 1.75 -0.12 0.00 -1.01 0.00 0.00 57.07 58.34 1jdf s TYR 164 Cb 0.17 -3.21 0.10 0.00 -0.11 0.00 0.00 41.96 38.92 1jdf s TYR 164 CO -0.07 -0.31 1.13 -0.65 -1.11 0.00 0.00 175.55 174.54 1jdf s GLN 165 N -1.43 1.62 0.04 -0.62 -1.52 -1.26 -5.10 119.66 111.38 1jdf s GLN 165 Ca 0.44 0.36 -0.25 0.00 -1.95 0.00 0.00 55.36 53.96 1jdf s GLN 165 Cb -0.30 -1.89 0.06 0.00 -0.22 0.00 0.00 33.01 30.66 1jdf s GLN 165 CO 0.38 -1.88 0.58 -1.54 -0.25 0.00 0.00 175.29 172.58 1jdf s SER 166 N -4.10 -0.53 -0.39 5.90 1.04 -1.26 -4.85 113.70 109.51 1jdf s SER 166 Ca 0.62 0.31 0.10 0.00 0.48 0.00 0.00 55.95 57.47 1jdf s SER 166 Cb -0.14 0.52 0.32 0.00 0.10 0.00 0.00 66.02 66.82 1jdf s SER 166 CO 0.53 -0.73 0.67 0.00 0.98 0.00 0.00 173.24 174.69 1jdf n GLN 167 N 0.43 0.96 0.32 4.02 6.02 -1.26 -4.97 117.38 122.90 1jdf n GLN 167 Ca -0.18 -3.38 0.20 0.00 -0.01 0.00 0.00 57.00 53.62 1jdf n GLN 167 Cb 0.60 -1.57 1.06 0.00 1.02 0.00 0.00 30.24 31.35 1jdf n GLN 167 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1jdf h PRO 168 N 3.35 0.00 0.00 -1.09 0.13 -1.90 -2.91 132.00 129.57 1jdf h PRO 168 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1jdf h PRO 168 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1jdf h PRO 168 CO 0.50 0.01 -1.23 -0.25 -0.23 0.00 0.00 178.00 176.80 1jdf n ASP 169 N -3.27 0.76 -4.70 1.44 10.43 -1.26 -4.99 116.55 114.96 1jdf n ASP 169 Ca -0.02 -0.76 -0.43 0.00 2.57 0.00 0.00 54.79 56.15 1jdf n ASP 169 Cb 0.12 1.23 -0.01 0.00 1.84 0.00 0.00 41.12 44.30 1jdf n ASP 169 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1jdf n ASP 170 N -1.68 2.91 0.25 -2.24 -0.08 -1.10 -4.88 116.55 109.72 1jdf n ASP 170 Ca 0.02 1.20 0.14 0.00 -1.51 0.00 0.00 54.79 54.64 1jdf n ASP 170 Cb 0.39 -1.49 0.42 0.00 2.34 0.00 0.00 41.12 42.77 1jdf n ASP 170 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1jdf h SER 171 N 2.99 0.00 -3.62 1.67 4.64 -1.94 -3.42 113.55 113.86 1jdf h SER 171 Ca -0.46 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.26 1jdf h SER 171 Cb 1.28 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.27 1jdf h SER 171 CO 0.66 0.01 0.61 0.00 -0.87 0.00 0.00 176.83 177.24 1jdf h ASP 173 N 8.94 0.51 0.06 0.00 3.32 -1.92 -2.07 116.42 125.25 1jdf h ASP 173 Ca -0.24 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 1jdf h ASP 173 Cb 1.08 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1jdf h ASP 173 CO 1.02 0.16 -0.03 -0.25 -1.72 0.00 0.00 179.24 178.43 1jdf h TRP 174 N 0.48 -0.07 -0.36 4.55 2.91 -1.92 0.24 115.95 121.79 1jdf h TRP 174 Ca 0.54 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.62 1jdf h TRP 174 Cb 1.23 0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.89 1jdf h TRP 174 CO -0.00 0.15 0.25 1.88 -1.03 0.00 0.00 178.44 179.69 1jdf h TYR 175 N -0.29 0.20 0.00 2.65 0.99 -1.77 -1.37 116.97 117.37 1jdf h TYR 175 Ca -0.01 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 1jdf h TYR 175 Cb 0.26 -0.07 -0.00 0.00 1.00 0.00 0.00 36.73 37.92 1jdf h TYR 175 CO -0.00 0.11 -0.22 -0.09 -0.00 0.00 0.00 178.16 177.95 1jdf h ARG 176 N 0.20 0.00 0.00 4.88 2.43 -1.28 -3.38 114.38 117.23 1jdf h ARG 176 Ca 0.16 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1jdf h ARG 176 Cb 0.38 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1jdf h ARG 176 CO -0.03 0.51 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.77 1jdf h LEU 177 N -1.00 0.00 0.00 3.80 3.38 -0.42 -3.04 115.31 118.02 1jdf h LEU 177 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1jdf h LEU 177 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1jdf h LEU 177 CO -0.03 0.10 0.00 -2.11 0.09 0.00 0.00 178.44 176.49 1jdf n ARG 178 N -3.55 0.08 0.00 1.13 1.85 -0.53 -1.66 116.66 113.98 1jdf n ARG 178 Ca -0.02 0.24 0.06 0.00 -1.00 0.00 0.00 57.85 57.13 1jdf n ARG 178 Cb 0.23 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.16 1jdf n ARG 178 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1jdf n HIS 179 N -1.40 0.00 -4.04 2.89 8.25 -1.15 -4.77 115.22 115.00 1jdf n HIS 179 Ca 0.04 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.18 1jdf n HIS 179 Cb 0.12 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.16 1jdf n HIS 179 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1jdf s GLU 180 N -1.25 3.11 0.12 -0.41 0.41 -0.67 -4.75 118.70 115.26 1jdf s GLU 180 Ca 0.12 -0.51 -0.35 0.00 -0.41 0.00 0.00 54.97 53.82 1jdf s GLU 180 Cb 0.10 -2.88 -0.16 0.00 -1.78 0.00 0.00 34.13 29.41 1jdf s GLU 180 CO 0.22 0.63 1.26 -1.91 -0.49 0.00 0.00 175.26 174.97 1jdf n GLU 181 N 0.87 1.10 -3.42 1.61 2.13 -1.26 -4.75 120.64 116.92 1jdf n GLU 181 Ca -0.11 0.40 -0.23 0.00 0.66 0.00 0.00 57.16 57.88 1jdf n GLU 181 Cb 0.52 -1.98 -0.10 0.00 0.27 0.00 0.00 31.44 30.15 1jdf n GLU 181 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jdf s ALA 182 N 0.21 0.20 -0.11 4.31 0.00 0.80 -4.92 121.76 122.26 1jdf s ALA 182 Ca 0.80 -1.25 0.15 0.00 0.00 0.00 0.00 51.96 51.67 1jdf s ALA 182 Cb -0.93 -1.77 0.24 0.00 0.00 0.00 0.00 23.12 20.66 1jdf s ALA 182 CO 0.49 -2.02 1.12 -1.33 0.00 0.00 0.00 175.76 174.02 1jdf n MET 183 N 4.41 1.04 -4.12 0.00 2.81 -1.26 -0.28 117.12 119.71 1jdf n MET 183 Ca 0.08 -2.29 -0.09 0.00 -1.81 0.00 0.00 57.70 53.59 1jdf n MET 183 Cb 0.42 -1.31 -0.10 0.00 -0.71 0.00 0.00 33.22 31.52 1jdf n MET 183 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1jdf s THR 184 N -2.33 0.44 0.16 2.03 -4.23 -1.26 -5.04 115.64 105.42 1jdf s THR 184 Ca 0.26 -1.82 -0.16 0.00 -1.18 0.00 0.00 61.69 58.79 1jdf s THR 184 Cb 0.23 -1.54 0.05 0.00 1.34 0.00 0.00 72.50 72.58 1jdf s THR 184 CO 0.02 -0.91 1.72 -0.65 -0.54 0.00 0.00 174.62 174.26 1jdf h PRO 185 N 3.14 0.18 -0.48 3.99 0.11 -1.93 0.23 132.00 137.24 1jdf h PRO 185 Ca -0.35 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.84 1jdf h PRO 185 Cb 1.16 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 1jdf h PRO 185 CO 0.64 0.12 0.08 -0.44 -0.21 0.00 0.00 178.00 178.19 1jdf h ASP 186 N 0.19 -0.03 -0.42 -2.05 3.45 -1.96 0.60 116.42 116.19 1jdf h ASP 186 Ca 0.19 0.09 -0.02 0.00 0.43 0.00 0.00 57.03 57.72 1jdf h ASP 186 Cb 0.23 0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.11 1jdf h ASP 186 CO -0.25 0.01 0.20 0.00 -1.57 0.00 0.00 179.24 177.63 1jdf h ALA 187 N 1.38 0.55 -0.80 3.45 0.00 -1.71 -1.21 119.26 120.92 1jdf h ALA 187 Ca 0.24 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1jdf h ALA 187 Cb 0.32 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1jdf h ALA 187 CO -0.33 0.11 0.36 0.28 0.00 0.00 0.00 179.25 179.68 1jdf h VAL 188 N 0.54 1.26 -0.80 0.00 2.07 0.15 -1.71 116.25 117.75 1jdf h VAL 188 Ca 0.15 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 1jdf h VAL 188 Cb 0.12 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 1jdf h VAL 188 CO -0.02 0.32 0.34 0.58 0.02 0.00 0.00 177.57 178.80 1jdf h VAL 189 N 1.15 1.26 -0.92 2.57 2.07 -0.65 -1.33 116.25 120.39 1jdf h VAL 189 Ca 0.27 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1jdf h VAL 189 Cb 0.16 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 1jdf h VAL 189 CO -0.03 0.33 0.53 -0.09 0.02 0.00 0.00 177.57 178.33 1jdf h ARG 190 N 1.16 1.27 -0.53 1.57 2.43 -0.65 0.87 114.38 120.50 1jdf h ARG 190 Ca 0.27 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 1jdf h ARG 190 Cb 0.19 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1jdf h ARG 190 CO -0.03 0.91 0.09 -0.07 -1.51 0.00 0.00 179.97 179.36 1jdf h LEU 191 N 1.29 0.84 -0.48 3.80 3.38 -0.74 -1.79 115.31 121.61 1jdf h LEU 191 Ca 0.33 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1jdf h LEU 191 Cb -0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1jdf h LEU 191 CO -0.06 0.89 0.03 0.00 0.09 0.00 0.00 178.44 179.38 1jdf h ALA 192 N 0.98 0.64 -0.72 1.53 0.00 -0.73 0.53 119.26 121.50 1jdf h ALA 192 Ca 0.16 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1jdf h ALA 192 Cb 0.40 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1jdf h ALA 192 CO 0.01 0.42 0.48 0.93 0.00 0.00 0.00 179.25 181.09 1jdf h GLU 193 N 0.69 0.94 -0.49 0.00 5.08 -0.71 0.23 114.58 120.32 1jdf h GLU 193 Ca 0.14 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 1jdf h GLU 193 Cb 0.47 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1jdf h GLU 193 CO 0.02 0.62 -0.01 0.00 -1.00 0.00 0.00 179.01 178.64 1jdf h ALA 194 N 1.27 0.66 -0.62 3.43 0.00 -1.07 -1.68 119.26 121.25 1jdf h ALA 194 Ca 0.27 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1jdf h ALA 194 Cb -0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1jdf h ALA 194 CO -0.06 0.48 0.09 0.00 0.00 0.00 0.00 179.25 179.75 1jdf h ALA 195 N 0.92 0.82 -0.69 0.00 0.00 -0.43 -2.35 119.26 117.54 1jdf h ALA 195 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1jdf h ALA 195 Cb 0.53 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1jdf h ALA 195 CO 0.03 0.59 0.44 -0.92 0.00 0.00 0.00 179.25 179.39 1jdf h TYR 196 N 0.94 0.88 -0.68 0.00 3.20 -0.31 0.29 116.97 121.30 1jdf h TYR 196 Ca 0.19 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 1jdf h TYR 196 Cb 0.44 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1jdf h TYR 196 CO 0.03 0.57 0.24 1.49 -1.64 0.00 0.00 178.16 178.86 1jdf h GLU 197 N 0.94 1.04 0.21 1.82 4.81 -1.13 0.38 114.58 122.65 1jdf h GLU 197 Ca 0.25 -0.21 -0.31 0.00 -0.13 0.00 0.00 59.36 58.96 1jdf h GLU 197 Cb -0.08 -0.16 0.04 0.00 0.63 0.00 0.00 28.75 29.18 1jdf h GLU 197 CO -0.05 0.88 -1.36 -0.22 -0.73 0.00 0.00 179.01 177.53 1jdf h LYS 198 N 0.98 0.55 0.00 1.92 1.63 -1.06 -3.40 116.57 117.19 1jdf h LYS 198 Ca 0.22 -0.87 0.00 0.00 -0.85 0.00 0.00 60.65 59.15 1jdf h LYS 198 Cb 0.26 0.31 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1jdf h LYS 198 CO -0.01 1.41 -0.94 0.66 -3.45 0.00 0.00 179.45 177.12 1jdf n TYR 199 N -3.78 0.00 -2.40 1.91 4.02 1.00 -4.94 117.16 112.97 1jdf n TYR 199 Ca -0.16 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.65 1jdf n TYR 199 Cb 1.05 -0.08 0.01 0.00 -0.02 0.00 0.00 39.34 40.29 1jdf n TYR 199 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jdf n GLY 200 N 1.87 0.17 3.75 2.72 0.00 0.13 -0.79 105.19 113.04 1jdf n GLY 200 Ca -0.00 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 1jdf n GLY 200 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jdf s PHE 201 N -2.62 2.29 -0.12 1.61 0.08 -1.26 -2.07 117.98 115.89 1jdf s PHE 201 Ca 0.07 1.46 0.10 0.00 0.12 0.00 0.00 56.93 58.68 1jdf s PHE 201 Cb -0.03 -3.66 -0.14 0.00 -0.57 0.00 0.00 43.02 38.62 1jdf s PHE 201 CO 0.09 -2.64 0.03 0.09 -0.10 0.00 0.00 175.22 172.69 1jdf n ASN 202 N -1.41 2.11 -4.51 1.36 3.02 -1.26 -4.90 115.26 109.67 1jdf n ASN 202 Ca 0.13 -0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.35 1jdf n ASN 202 Cb 0.47 0.75 -0.12 0.00 -0.61 0.00 0.00 39.78 40.27 1jdf n ASN 202 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1jdf s ASP 203 N -4.50 4.17 0.09 6.41 1.01 -1.26 -3.61 116.67 118.98 1jdf s ASP 203 Ca -0.07 -0.22 0.06 0.00 0.71 0.00 0.00 52.55 53.03 1jdf s ASP 203 Cb 0.04 -0.88 -0.03 0.00 1.01 0.00 0.00 42.92 43.06 1jdf s ASP 203 CO 0.48 0.31 -0.15 -0.36 0.21 0.00 0.00 175.17 175.66 1jdf s PHE 204 N -0.85 1.35 -0.04 4.23 0.08 -0.25 0.13 117.98 122.63 1jdf s PHE 204 Ca 0.14 -0.48 0.02 0.00 0.12 0.00 0.00 56.93 56.73 1jdf s PHE 204 Cb -0.11 -0.74 0.01 0.00 -0.57 0.00 0.00 43.02 41.61 1jdf s PHE 204 CO 0.03 0.10 -0.08 0.21 -0.10 0.00 0.00 175.22 175.38 1jdf s LYS 205 N -1.99 1.03 -0.15 0.44 2.20 -0.41 -2.39 119.74 118.46 1jdf s LYS 205 Ca 0.02 -0.27 -0.01 0.00 -0.36 0.00 0.00 55.97 55.35 1jdf s LYS 205 Cb -0.09 -0.95 -0.01 0.00 -1.51 0.00 0.00 37.83 35.27 1jdf s LYS 205 CO 0.03 0.05 -0.12 -1.17 -0.36 0.00 0.00 175.35 173.78 1jdf s LEU 206 N 0.45 2.68 -0.10 5.43 2.96 -0.48 0.63 118.68 130.24 1jdf s LEU 206 Ca -0.07 -0.38 -0.30 0.00 -0.22 0.00 0.00 54.13 53.16 1jdf s LEU 206 Cb -0.11 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 1jdf s LEU 206 CO 0.01 0.11 1.23 -0.75 -1.32 0.00 0.00 176.35 175.62 1jdf s LYS 207 N 0.70 4.30 0.00 1.98 2.47 -0.24 -1.63 119.74 127.31 1jdf s LYS 207 Ca -0.06 1.67 0.00 0.00 -1.56 0.00 0.00 55.97 56.02 1jdf s LYS 207 Cb -0.15 -3.64 0.00 0.00 -1.46 0.00 0.00 37.83 32.58 1jdf s LYS 207 CO 0.02 -0.55 0.00 0.41 0.16 0.00 0.00 175.35 175.39 1jdf n GLY 208 N 3.47 3.98 2.18 5.54 0.00 -0.01 -4.39 105.19 115.95 1jdf n GLY 208 Ca 0.12 -1.99 -0.07 0.00 0.00 0.00 0.00 46.02 44.08 1jdf n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdf n GLY 209 N 5.00 0.70 0.56 -0.02 0.00 -1.26 -4.05 105.19 106.12 1jdf n GLY 209 Ca 0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 1jdf n GLY 209 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1jdf n VAL 210 N -3.09 1.10 -3.86 1.61 0.31 -1.26 -1.92 118.33 111.22 1jdf n VAL 210 Ca -0.07 0.05 -0.24 0.00 -0.01 0.00 0.00 64.34 64.07 1jdf n VAL 210 Cb 0.30 -1.85 -0.03 0.00 -0.91 0.00 0.00 33.84 31.35 1jdf n VAL 210 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1jdf s LEU 211 N -7.15 3.05 0.16 7.52 1.43 -1.26 -1.55 118.68 120.87 1jdf s LEU 211 Ca -0.17 -1.04 -0.34 0.00 -1.03 0.00 0.00 54.13 51.55 1jdf s LEU 211 Cb 0.05 -1.54 -0.14 0.00 0.03 0.00 0.00 46.19 44.58 1jdf s LEU 211 CO 0.24 -0.79 1.52 0.00 0.23 0.00 0.00 176.35 177.55 1jdf n ALA 212 N -1.54 0.96 -0.30 4.21 0.00 -1.26 -4.69 120.51 117.90 1jdf n ALA 212 Ca 0.00 0.46 0.14 0.00 0.00 0.00 0.00 53.44 54.03 1jdf n ALA 212 Cb 0.64 -2.30 0.31 0.00 0.00 0.00 0.00 19.45 18.09 1jdf n ALA 212 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jdf h GLY 213 N 5.56 1.47 1.04 0.00 0.00 -1.98 0.52 103.07 109.68 1jdf h GLY 213 Ca -0.45 -0.11 0.09 0.00 0.00 0.00 0.00 47.33 46.86 1jdf h GLY 213 CO 0.86 -0.33 0.43 1.05 0.00 0.00 0.00 176.54 178.55 1jdf h GLU 214 N 0.30 0.52 -0.01 4.80 9.09 -1.97 -0.63 114.58 126.69 1jdf h GLU 214 Ca 0.56 -0.03 -0.13 0.00 0.05 0.00 0.00 59.36 59.81 1jdf h GLU 214 Cb 1.12 -0.12 0.01 0.00 -1.65 0.00 0.00 28.75 28.11 1jdf h GLU 214 CO -0.59 0.34 -0.49 1.49 0.05 0.00 0.00 179.01 179.81 1jdf h GLU 215 N 0.54 0.35 -0.01 1.06 4.81 -0.36 -3.15 114.58 117.82 1jdf h GLU 215 Ca 0.29 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1jdf h GLU 215 Cb 0.44 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 1jdf h GLU 215 CO -0.09 1.04 0.02 0.93 -0.73 0.00 0.00 179.01 180.19 1jdf h GLU 216 N -0.21 0.00 -0.05 1.92 5.08 -0.51 -1.42 114.58 119.39 1jdf h GLU 216 Ca -0.06 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1jdf h GLU 216 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1jdf h GLU 216 CO 0.10 0.00 -0.37 0.00 -1.00 0.00 0.00 179.01 177.73 1jdf h ALA 217 N 1.97 1.28 -0.07 3.43 0.00 -1.09 -2.68 119.26 122.10 1jdf h ALA 217 Ca 0.01 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1jdf h ALA 217 Cb 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1jdf h ALA 217 CO -0.00 0.51 -0.32 0.93 0.00 0.00 0.00 179.25 180.37 1jdf h GLU 218 N 0.09 0.13 -0.11 0.00 4.39 -1.35 -1.52 114.58 116.20 1jdf h GLU 218 Ca 0.01 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 1jdf h GLU 218 Cb 0.70 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1jdf h GLU 218 CO 0.05 0.44 -0.41 0.77 -1.16 0.00 0.00 179.01 178.70 1jdf h SER 219 N 0.11 0.27 -0.12 1.42 0.02 -1.57 -0.80 113.55 112.88 1jdf h SER 219 Ca 0.01 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 1jdf h SER 219 Cb 0.63 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 1jdf h SER 219 CO 0.05 0.65 -0.12 0.40 -1.14 0.00 0.00 176.83 176.67 1jdf h ILE 220 N 0.21 1.36 -0.42 3.27 1.08 -1.30 -0.95 117.51 120.75 1jdf h ILE 220 Ca 0.02 -1.28 0.05 0.00 -0.39 0.00 0.00 64.86 63.26 1jdf h ILE 220 Cb 0.82 1.94 -0.04 0.00 -3.07 0.00 0.00 36.82 36.46 1jdf h ILE 220 CO 0.06 0.37 0.16 0.58 -0.69 0.00 0.00 178.15 178.64 1jdf h VAL 221 N -0.11 0.89 -0.76 1.67 2.07 -1.12 0.12 116.25 119.01 1jdf h VAL 221 Ca 0.02 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.45 1jdf h VAL 221 Cb 0.64 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 1jdf h VAL 221 CO 0.03 0.06 0.48 0.00 0.02 0.00 0.00 177.57 178.16 1jdf h ALA 222 N 1.27 1.00 -0.54 1.67 0.00 -1.08 -0.01 119.26 121.56 1jdf h ALA 222 Ca 0.19 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1jdf h ALA 222 Cb 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1jdf h ALA 222 CO -0.19 0.27 -0.12 -0.07 0.00 0.00 0.00 179.25 179.14 1jdf h LEU 223 N 0.93 1.05 -0.59 0.00 3.38 -0.38 -1.30 115.31 118.39 1jdf h LEU 223 Ca 0.31 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1jdf h LEU 223 Cb 0.03 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1jdf h LEU 223 CO -0.12 1.16 0.14 0.00 0.09 0.00 0.00 178.44 179.72 1jdf h ALA 224 N 0.92 0.78 -0.66 1.53 0.00 -0.28 0.22 119.26 121.78 1jdf h ALA 224 Ca 0.14 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1jdf h ALA 224 Cb 0.70 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1jdf h ALA 224 CO 0.05 0.49 0.10 1.96 0.00 0.00 0.00 179.25 181.85 1jdf h GLN 225 N 0.86 1.09 -0.18 0.00 4.20 -0.87 -1.29 115.11 118.92 1jdf h GLN 225 Ca 0.19 -0.29 -0.20 0.00 0.06 0.00 0.00 58.65 58.41 1jdf h GLN 225 Cb 0.35 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1jdf h GLN 225 CO 0.00 1.00 -0.67 -0.09 -0.67 0.00 0.00 178.83 178.40 1jdf h ARG 226 N 1.01 0.70 -2.92 1.46 9.65 -0.97 -3.37 114.38 119.94 1jdf h ARG 226 Ca 0.20 -0.51 -0.61 0.00 -1.10 0.00 0.00 59.98 57.95 1jdf h ARG 226 Cb 0.44 0.09 -0.41 0.00 -1.39 0.00 0.00 29.97 28.71 1jdf h ARG 226 CO 0.01 1.13 -0.70 -0.06 2.80 0.00 0.00 179.97 183.16 1jdf s PHE 227 N -3.87 2.68 -0.03 2.20 0.40 0.76 -4.96 117.98 115.16 1jdf s PHE 227 Ca -0.09 -2.93 0.30 0.00 -0.60 0.00 0.00 56.93 53.61 1jdf s PHE 227 Cb 0.10 -2.15 1.41 0.00 0.51 0.00 0.00 43.02 42.89 1jdf s PHE 227 CO 0.88 -0.67 1.91 -1.00 0.70 0.00 0.00 175.22 177.04 1jdf h PRO 228 N 5.77 0.00 -0.59 0.24 0.13 -1.41 -2.82 132.00 133.32 1jdf h PRO 228 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1jdf h PRO 228 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1jdf h PRO 228 CO 0.59 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.40 1jdf n GLN 229 N -2.67 2.90 -3.74 0.86 3.00 -1.26 -4.98 117.38 111.48 1jdf n GLN 229 Ca 0.00 -2.50 -0.35 0.00 -0.01 0.00 0.00 57.00 54.14 1jdf n GLN 229 Cb 0.19 -1.52 -0.05 0.00 0.00 0.00 0.00 30.24 28.86 1jdf n GLN 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jdf s ALA 230 N -1.14 3.84 -0.15 -1.58 0.00 -1.06 -4.95 121.76 116.71 1jdf s ALA 230 Ca 0.41 -0.56 -0.24 0.00 0.00 0.00 0.00 51.96 51.57 1jdf s ALA 230 Cb 0.22 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 1jdf s ALA 230 CO 0.26 0.64 0.77 1.03 0.00 0.00 0.00 175.76 178.46 1jdf s ARG 231 N -1.77 4.31 0.05 0.00 0.52 -1.24 -4.90 118.95 115.92 1jdf s ARG 231 Ca 0.28 0.91 0.06 0.00 -0.52 0.00 0.00 55.73 56.46 1jdf s ARG 231 Cb -0.13 -3.55 -0.02 0.00 0.52 0.00 0.00 34.95 31.76 1jdf s ARG 231 CO 0.16 -0.23 -0.17 0.42 0.02 0.00 0.00 175.30 175.50 1jdf s ILE 232 N 1.82 1.33 0.11 1.52 1.01 -1.25 -1.09 121.20 124.65 1jdf s ILE 232 Ca 0.36 -1.14 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 1jdf s ILE 232 Cb -0.17 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 1jdf s ILE 232 CO 0.13 0.04 0.06 0.28 0.00 0.00 0.00 174.94 175.45 1jdf s THR 233 N -0.90 0.13 -0.04 2.92 -1.32 -1.01 0.39 115.64 115.82 1jdf s THR 233 Ca 0.03 -1.79 0.03 0.00 -1.21 0.00 0.00 61.69 58.76 1jdf s THR 233 Cb -0.09 -1.84 0.00 0.00 -1.51 0.00 0.00 72.50 69.07 1jdf s THR 233 CO 0.02 -0.61 -0.13 -0.22 -2.21 0.00 0.00 174.62 171.46 1jdf s LEU 234 N -2.99 1.82 -0.42 9.08 2.96 -1.26 -1.38 118.68 126.49 1jdf s LEU 234 Ca 0.18 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.83 1jdf s LEU 234 Cb 0.07 -0.80 0.12 0.00 0.50 0.00 0.00 46.19 46.08 1jdf s LEU 234 CO -0.02 0.10 0.17 -0.62 -1.32 0.00 0.00 176.35 174.66 1jdf s ASP 235 N 0.22 4.20 0.00 3.68 3.68 -0.65 -3.11 116.67 124.69 1jdf s ASP 235 Ca -0.06 -2.46 0.07 0.00 2.13 0.00 0.00 52.55 52.23 1jdf s ASP 235 Cb -0.11 -1.34 0.22 0.00 -1.45 0.00 0.00 42.92 40.23 1jdf s ASP 235 CO 0.02 -0.31 1.18 -0.81 0.13 0.00 0.00 175.17 175.38 1jdf n PRO 236 N 3.81 1.51 -3.90 4.34 -0.04 -1.25 -0.83 135.00 138.62 1jdf n PRO 236 Ca 0.05 -0.79 -0.25 0.00 -0.04 0.00 0.00 63.50 62.47 1jdf n PRO 236 Cb 0.37 -1.18 -0.01 0.00 -0.04 0.00 0.00 33.50 32.65 1jdf n PRO 236 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jdf n ASN 237 N 0.13 -0.84 -0.28 3.54 4.13 -1.21 -2.19 115.26 118.54 1jdf n ASN 237 Ca 0.08 -0.95 -0.04 0.00 1.68 0.00 0.00 54.58 55.35 1jdf n ASN 237 Cb 0.19 -3.33 -0.02 0.00 -1.54 0.00 0.00 39.78 35.08 1jdf n ASN 237 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jdf n GLY 238 N -1.84 0.51 0.24 7.41 0.00 0.29 -4.92 105.19 106.88 1jdf n GLY 238 Ca -0.28 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 1jdf n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdf h ALA 239 N 0.00 0.63 -2.62 4.61 0.00 -1.55 -3.19 119.26 117.14 1jdf h ALA 239 Ca -0.07 -0.25 -0.51 0.00 0.00 0.00 0.00 54.91 54.07 1jdf h ALA 239 Cb 0.72 -0.18 0.09 0.00 0.00 0.00 0.00 17.79 18.43 1jdf h ALA 239 CO 0.11 0.39 0.42 -1.58 0.00 0.00 0.00 179.25 178.60 1jdf s TRP 240 N -5.11 2.57 0.70 0.00 0.51 -1.21 -4.36 118.94 112.04 1jdf s TRP 240 Ca -0.13 1.54 -0.11 0.00 -2.12 0.00 0.00 56.10 55.29 1jdf s TRP 240 Cb 0.11 -3.31 0.01 0.00 -0.81 0.00 0.00 33.47 29.47 1jdf s TRP 240 CO 0.81 -1.79 1.07 -1.54 -0.51 0.00 0.00 176.95 174.98 1jdf s SER 241 N -1.94 5.40 0.20 2.95 1.04 -1.26 -4.18 113.70 115.90 1jdf s SER 241 Ca 0.72 1.42 -0.11 0.00 0.48 0.00 0.00 55.95 58.46 1jdf s SER 241 Cb -0.25 -2.29 0.23 0.00 0.10 0.00 0.00 66.02 63.81 1jdf s SER 241 CO 0.33 -1.41 1.74 0.25 0.98 0.00 0.00 173.24 175.13 1jdf h LEU 242 N -0.70 0.19 -0.89 2.42 5.85 -1.92 0.34 115.31 120.60 1jdf h LEU 242 Ca -0.45 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.30 1jdf h LEU 242 Cb 1.23 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 1jdf h LEU 242 CO 0.60 0.12 0.26 0.78 -0.34 0.00 0.00 178.44 179.86 1jdf h ASN 243 N 0.37 0.99 -0.38 1.25 2.35 -1.99 -0.43 115.58 117.74 1jdf h ASN 243 Ca 0.27 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 1jdf h ASN 243 Cb 0.32 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1jdf h ASN 243 CO -0.28 0.90 -0.02 -0.33 -1.65 0.00 0.00 177.43 176.05 1jdf h GLU 244 N 1.04 0.69 -0.72 0.81 5.08 -1.74 -1.87 114.58 117.87 1jdf h GLU 244 Ca 0.24 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1jdf h GLU 244 Cb 0.24 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1jdf h GLU 244 CO -0.02 0.80 0.38 0.00 -1.00 0.00 0.00 179.01 179.18 1jdf h ALA 245 N 0.86 0.93 -0.65 3.43 0.00 -0.65 -0.81 119.26 122.37 1jdf h ALA 245 Ca 0.10 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1jdf h ALA 245 Cb 0.50 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1jdf h ALA 245 CO 0.02 0.46 0.10 0.82 0.00 0.00 0.00 179.25 180.66 1jdf h ILE 246 N 1.00 1.26 0.44 0.00 2.04 -0.98 0.72 117.51 122.00 1jdf h ILE 246 Ca 0.25 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 1jdf h ILE 246 Cb 0.06 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1jdf h ILE 246 CO -0.04 0.38 -0.21 0.50 0.00 0.00 0.00 178.15 178.78 1jdf h LYS 247 N 1.00 -0.57 -0.66 2.37 3.64 -0.82 -0.16 116.57 121.35 1jdf h LYS 247 Ca 0.20 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1jdf h LYS 247 Cb 0.43 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 1jdf h LYS 247 CO 0.01 -0.35 0.30 0.82 -2.27 0.00 0.00 179.45 177.96 1jdf h ILE 248 N -0.65 1.23 -0.39 2.00 2.04 -1.06 -1.96 117.51 118.73 1jdf h ILE 248 Ca -0.06 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.17 1jdf h ILE 248 Cb 0.49 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1jdf h ILE 248 CO 0.10 0.27 0.14 1.23 0.00 0.00 0.00 178.15 179.90 1jdf h GLY 249 N 0.93 0.50 1.01 5.37 0.00 0.68 0.82 103.07 112.37 1jdf h GLY 249 Ca 0.23 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.40 1jdf h GLY 249 CO -0.03 0.04 0.07 0.50 0.00 0.00 0.00 176.54 177.12 1jdf h LYS 250 N 0.30 0.91 -0.96 4.80 1.57 -0.87 0.11 116.57 122.44 1jdf h LYS 250 Ca 0.18 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1jdf h LYS 250 Cb 0.15 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1jdf h LYS 250 CO -0.17 0.89 0.63 -0.92 -0.57 0.00 0.00 179.45 179.31 1jdf h TYR 251 N 0.80 1.19 -0.37 -1.35 3.20 -0.82 -2.32 116.97 117.30 1jdf h TYR 251 Ca 0.16 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1jdf h TYR 251 Cb 0.44 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1jdf h TYR 251 CO 0.03 0.73 0.00 1.28 -1.64 0.00 0.00 178.16 178.56 1jdf n LEU 252 N -4.44 2.63 -0.31 2.82 4.77 0.23 -4.61 117.00 118.09 1jdf n LEU 252 Ca 0.12 -1.20 0.08 0.00 -0.03 0.00 0.00 56.01 54.98 1jdf n LEU 252 Cb 0.04 -0.24 0.16 0.00 -2.33 0.00 0.00 43.42 41.05 1jdf n LEU 252 CO 0.36 0.60 0.60 1.17 -1.33 0.00 0.00 177.39 178.79 1jdf n LYS 253 N 0.94 -0.07 0.00 3.23 3.00 0.00 0.28 118.16 125.54 1jdf n LYS 253 Ca 0.18 1.32 0.14 0.00 -0.00 0.00 0.00 58.31 59.95 1jdf n LYS 253 Cb 0.45 -2.01 0.61 0.00 0.00 0.00 0.00 35.03 34.08 1jdf n LYS 253 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jdf n GLY 254 N -1.51 -0.50 0.09 3.14 0.00 -1.26 -4.13 105.19 101.02 1jdf n GLY 254 Ca 0.16 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1jdf n GLY 254 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jdf n SER 255 N -0.44 1.30 -4.80 1.61 7.64 0.14 -4.98 113.62 114.09 1jdf n SER 255 Ca 0.18 -0.04 -0.38 0.00 1.01 0.00 0.00 58.87 59.64 1jdf n SER 255 Cb 0.29 0.46 -0.06 0.00 -1.01 0.00 0.00 64.21 63.89 1jdf n SER 255 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1jdf s LEU 256 N -5.64 4.50 0.01 -3.43 1.43 -0.77 -4.39 118.68 110.38 1jdf s LEU 256 Ca -0.16 1.38 0.03 0.00 -1.03 0.00 0.00 54.13 54.35 1jdf s LEU 256 Cb 0.06 -3.17 -0.25 0.00 0.03 0.00 0.00 46.19 42.86 1jdf s LEU 256 CO 0.64 0.20 0.86 0.00 0.23 0.00 0.00 176.35 178.27 1jdf h ALA 257 N 4.18 0.43 -2.47 4.21 0.00 -0.41 -3.47 119.26 121.74 1jdf h ALA 257 Ca -0.48 -1.18 0.12 0.00 0.00 0.00 0.00 54.91 53.36 1jdf h ALA 257 Cb 1.21 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 19.16 1jdf h ALA 257 CO 0.65 1.29 0.43 1.52 0.00 0.00 0.00 179.25 183.14 1jdf s TYR 258 N -2.63 -0.27 -0.18 0.00 1.13 -1.24 -4.49 117.35 109.69 1jdf s TYR 258 Ca -0.07 0.02 -0.01 0.00 -1.41 0.00 0.00 57.07 55.60 1jdf s TYR 258 Cb 0.08 0.60 -0.00 0.00 -1.10 0.00 0.00 41.96 41.54 1jdf s TYR 258 CO 0.83 -0.77 -0.12 0.00 -2.51 0.00 0.00 175.55 172.98 1jdf s ALA 259 N -3.35 2.58 -0.26 9.51 0.00 -0.27 -4.27 121.76 125.72 1jdf s ALA 259 Ca 0.08 -1.10 -0.16 0.00 0.00 0.00 0.00 51.96 50.78 1jdf s ALA 259 Cb -0.02 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 1jdf s ALA 259 CO -0.03 -0.19 0.43 -2.00 0.00 0.00 0.00 175.76 173.97 1jdf s GLU 260 N 1.07 4.06 -1.00 0.00 2.12 -1.18 -0.65 118.70 123.12 1jdf s GLU 260 Ca -0.00 0.17 -0.23 0.00 0.36 0.00 0.00 54.97 55.27 1jdf s GLU 260 Cb -0.15 -3.64 0.03 0.00 0.26 0.00 0.00 34.13 30.64 1jdf s GLU 260 CO -0.03 -0.27 0.43 -0.25 -0.54 0.00 0.00 175.26 174.60 1jdf n ASP 261 N 5.28 -2.47 0.22 -1.70 8.00 -0.35 -3.95 116.55 121.59 1jdf n ASP 261 Ca -0.07 -1.03 0.07 0.00 0.71 0.00 0.00 54.79 54.48 1jdf n ASP 261 Cb 0.50 -1.24 0.53 0.00 -0.02 0.00 0.00 41.12 40.89 1jdf n ASP 261 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1jdf h PRO 262 N -1.39 0.00 -3.64 -0.24 0.13 -1.87 0.83 132.00 125.81 1jdf h PRO 262 Ca -0.56 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.51 1jdf h PRO 262 Cb 1.10 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.15 1jdf h PRO 262 CO 0.44 0.23 -0.10 0.00 -0.23 0.00 0.00 178.00 178.33 1jdf n GLY 264 N -0.40 4.44 3.67 0.00 0.00 -1.21 -4.53 105.19 107.16 1jdf n GLY 264 Ca -0.02 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 1jdf n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdf n ALA 265 N -3.00 0.87 -3.63 4.61 0.00 -1.26 -4.68 120.51 113.42 1jdf n ALA 265 Ca 0.00 0.33 -0.04 0.00 0.00 0.00 0.00 53.44 53.73 1jdf n ALA 265 Cb 0.00 -2.19 -0.04 0.00 0.00 0.00 0.00 19.45 17.22 1jdf n ALA 265 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1jdf s GLU 266 N -1.90 0.17 -1.56 0.00 -1.05 -0.80 -4.92 118.70 108.64 1jdf s GLU 266 Ca 0.58 0.03 -0.00 0.00 -0.15 0.00 0.00 54.97 55.43 1jdf s GLU 266 Cb -0.58 0.08 0.00 0.00 -0.44 0.00 0.00 34.13 33.19 1jdf s GLU 266 CO 0.60 -0.05 0.02 1.04 0.95 0.00 0.00 175.26 177.82 1jdf n GLN 267 N 0.51 -1.94 -0.14 -4.83 6.02 -1.26 -1.53 117.38 114.20 1jdf n GLN 267 Ca -0.02 0.88 0.00 0.00 -0.01 0.00 0.00 57.00 57.85 1jdf n GLN 267 Cb 0.59 -5.53 0.00 0.00 1.02 0.00 0.00 30.24 26.31 1jdf n GLN 267 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jdf n GLY 268 N -0.97 1.42 3.87 1.08 0.00 -1.26 -5.04 105.19 104.29 1jdf n GLY 268 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1jdf n GLY 268 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jdf s PHE 269 N -2.69 3.58 0.84 1.61 0.08 -0.58 -5.09 117.98 115.73 1jdf s PHE 269 Ca 0.00 0.78 -0.12 0.00 0.12 0.00 0.00 56.93 57.71 1jdf s PHE 269 Cb 0.00 -2.15 0.09 0.00 -0.57 0.00 0.00 43.02 40.39 1jdf s PHE 269 CO 0.00 0.53 1.11 -1.54 -0.10 0.00 0.00 175.22 175.22 1jdf s SER 270 N -1.75 4.16 0.47 1.36 1.04 -1.26 -1.90 113.70 115.82 1jdf s SER 270 Ca 0.33 1.17 0.14 0.00 0.48 0.00 0.00 55.95 58.07 1jdf s SER 270 Cb -0.14 -1.84 1.09 0.00 0.10 0.00 0.00 66.02 65.22 1jdf s SER 270 CO 0.18 -2.16 2.06 1.23 0.98 0.00 0.00 173.24 175.52 1jdf h GLY 271 N -1.23 0.06 1.28 7.32 0.00 -1.91 -1.58 103.07 107.01 1jdf h GLY 271 Ca -0.48 -0.03 -0.19 0.00 0.00 0.00 0.00 47.33 46.63 1jdf h GLY 271 CO 0.60 0.03 -0.61 3.21 0.00 0.00 0.00 176.54 179.77 1jdf h ARG 272 N 0.05 0.74 -0.47 4.80 3.08 -1.92 -1.41 114.38 119.26 1jdf h ARG 272 Ca 0.01 -0.51 -0.14 0.00 0.07 0.00 0.00 59.98 59.42 1jdf h ARG 272 Cb 0.17 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1jdf h ARG 272 CO 0.01 1.13 -0.24 0.93 -1.07 0.00 0.00 179.97 180.73 1jdf h GLU 273 N 0.55 0.99 -0.21 0.04 5.08 -1.77 -2.31 114.58 116.96 1jdf h GLU 273 Ca -0.00 -0.44 -0.11 0.00 -1.00 0.00 0.00 59.36 57.81 1jdf h GLU 273 Cb 1.21 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1jdf h GLU 273 CO 0.13 1.11 -0.30 0.28 -1.00 0.00 0.00 179.01 179.23 1jdf h VAL 274 N 0.85 1.33 -0.86 3.13 2.07 -1.28 -2.81 116.25 118.67 1jdf h VAL 274 Ca 0.10 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 1jdf h VAL 274 Cb 0.82 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 32.35 1jdf h VAL 274 CO 0.07 0.46 0.50 0.24 0.02 0.00 0.00 177.57 178.86 1jdf h MET 275 N 0.24 1.18 -0.74 1.57 2.86 -1.28 -0.59 114.93 118.17 1jdf h MET 275 Ca 0.02 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1jdf h MET 275 Cb 0.87 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 1jdf h MET 275 CO 0.07 0.84 0.49 0.00 1.06 0.00 0.00 176.91 179.37 1jdf h ALA 276 N 1.35 0.94 -0.52 6.32 0.00 -1.36 0.12 119.26 126.11 1jdf h ALA 276 Ca 0.31 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1jdf h ALA 276 Cb -0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1jdf h ALA 276 CO -0.05 0.35 0.07 0.93 0.00 0.00 0.00 179.25 180.54 1jdf h GLU 277 N 0.99 0.87 -0.60 0.00 5.08 -1.10 -1.48 114.58 118.34 1jdf h GLU 277 Ca 0.27 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1jdf h GLU 277 Cb -0.11 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 1jdf h GLU 277 CO -0.06 0.87 0.35 0.35 -1.00 0.00 0.00 179.01 179.51 1jdf h PHE 278 N 0.75 0.81 -0.39 4.33 3.04 -0.59 -0.08 116.94 124.82 1jdf h PHE 278 Ca 0.15 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1jdf h PHE 278 Cb 0.43 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.66 1jdf h PHE 278 CO 0.03 0.57 0.25 -0.09 -2.02 0.00 0.00 178.31 177.05 1jdf h ARG 279 N 0.82 0.52 -0.11 1.11 2.43 -0.58 -0.94 114.38 117.62 1jdf h ARG 279 Ca 0.21 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.20 1jdf h ARG 279 Cb 0.01 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1jdf h ARG 279 CO -0.04 0.35 -0.58 -0.09 -1.51 0.00 0.00 179.97 178.11 1jdf h ARG 280 N 0.52 0.34 -0.01 0.20 2.43 -1.01 -1.08 114.38 115.77 1jdf h ARG 280 Ca 0.14 -0.22 -0.17 0.00 -0.81 0.00 0.00 59.98 58.92 1jdf h ARG 280 Cb -0.04 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1jdf h ARG 280 CO -0.03 0.82 -0.75 0.00 -1.51 0.00 0.00 179.97 178.50 1jdf h ALA 281 N 1.13 0.72 0.00 2.80 0.00 -0.75 -3.36 119.26 119.80 1jdf h ALA 281 Ca -0.00 -0.66 -0.20 0.00 0.00 0.00 0.00 54.91 54.05 1jdf h ALA 281 Cb 1.09 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1jdf h ALA 281 CO 0.10 0.87 -2.10 0.25 0.00 0.00 0.00 179.25 178.37 1jdf n THR 282 N -3.71 0.74 -1.00 0.00 -2.24 -0.38 -4.98 114.28 102.71 1jdf n THR 282 Ca -0.02 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1jdf n THR 282 Cb 0.72 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1jdf n THR 282 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jdf n GLY 283 N 1.69 0.49 3.78 3.38 0.00 -0.41 -4.90 105.19 109.22 1jdf n GLY 283 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1jdf n GLY 283 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jdf s LEU 284 N 0.00 4.39 0.61 0.99 1.43 -1.25 -5.06 118.68 119.79 1jdf s LEU 284 Ca 0.00 0.94 -0.18 0.00 -1.03 0.00 0.00 54.13 53.85 1jdf s LEU 284 Cb 0.00 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 1jdf s LEU 284 CO 0.00 0.17 1.21 -2.84 0.23 0.00 0.00 176.35 175.11 1jdf s PRO 285 N -0.29 2.90 0.14 1.29 0.02 -1.26 -4.70 135.00 133.09 1jdf s PRO 285 Ca 0.25 1.81 0.10 0.00 0.02 0.00 0.00 61.00 63.19 1jdf s PRO 285 Cb -0.16 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.40 1jdf s PRO 285 CO 0.13 -1.26 -0.25 0.95 -0.33 0.00 0.00 177.00 176.24 1jdf s THR 286 N -1.65 2.14 0.20 0.99 -4.23 -1.26 -1.11 115.64 110.71 1jdf s THR 286 Ca 0.77 -1.77 0.04 0.00 -1.18 0.00 0.00 61.69 59.55 1jdf s THR 286 Cb -0.30 -1.92 -0.05 0.00 1.34 0.00 0.00 72.50 71.57 1jdf s THR 286 CO 0.34 0.00 -0.04 0.00 -0.54 0.00 0.00 174.62 174.39 1jdf s ALA 287 N -1.24 1.65 -0.06 3.99 0.00 0.18 -0.33 121.76 125.95 1jdf s ALA 287 Ca 0.14 -1.66 -0.30 0.00 0.00 0.00 0.00 51.96 50.14 1jdf s ALA 287 Cb -0.09 0.33 0.09 0.00 0.00 0.00 0.00 23.12 23.45 1jdf s ALA 287 CO 0.06 -0.20 0.79 -0.08 0.00 0.00 0.00 175.76 176.33 1jdf s THR 288 N -3.40 0.00 0.00 0.00 -1.32 -0.91 -1.21 115.64 108.80 1jdf s THR 288 Ca 0.24 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.83 1jdf s THR 288 Cb 0.04 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.22 1jdf s THR 288 CO 0.05 0.00 1.07 -0.46 -2.21 0.00 0.00 174.62 173.08 1jdf n ASN 289 N 0.61 0.43 0.00 8.08 6.94 -1.26 -1.45 115.26 128.61 1jdf n ASN 289 Ca -0.15 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 52.41 1jdf n ASN 289 Cb 0.59 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.77 1jdf n ASN 289 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1jdf n MET 290 N 0.22 1.18 0.00 -3.83 2.81 -1.26 -4.88 117.12 111.35 1jdf n MET 290 Ca 0.02 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 55.99 1jdf n MET 290 Cb 0.89 -0.75 -0.08 0.00 -0.71 0.00 0.00 33.22 32.57 1jdf n MET 290 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1jdf n ILE 291 N -1.55 0.00 -3.31 2.02 -5.35 -1.26 -4.65 119.36 105.26 1jdf n ILE 291 Ca 0.00 -0.15 -0.25 0.00 -0.27 0.00 0.00 62.75 62.07 1jdf n ILE 291 Cb 0.25 1.01 -0.08 0.00 -1.74 0.00 0.00 39.64 39.08 1jdf n ILE 291 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jdf n ALA 292 N -1.28 2.77 0.60 -1.28 0.00 -1.26 -4.70 120.51 115.35 1jdf n ALA 292 Ca 0.03 -3.50 0.07 0.00 0.00 0.00 0.00 53.44 50.04 1jdf n ALA 292 Cb 0.24 -0.81 0.05 0.00 0.00 0.00 0.00 19.45 18.94 1jdf n ALA 292 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jdf n THR 293 N 1.82 0.00 -3.97 0.00 -2.24 -1.26 -4.85 114.28 103.78 1jdf n THR 293 Ca 0.25 -0.49 -0.09 0.00 -2.27 0.00 0.00 64.05 61.45 1jdf n THR 293 Cb 0.49 1.29 -0.04 0.00 -2.10 0.00 0.00 70.33 69.97 1jdf n THR 293 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1jdf s ASP 294 N -1.24 -0.01 0.34 3.42 1.47 -1.26 -4.84 116.67 114.55 1jdf s ASP 294 Ca 0.16 -0.95 0.04 0.00 1.18 0.00 0.00 52.55 52.97 1jdf s ASP 294 Cb 0.12 0.64 0.60 0.00 -0.34 0.00 0.00 42.92 43.94 1jdf s ASP 294 CO 0.20 -1.23 1.90 -0.50 0.68 0.00 0.00 175.17 176.21 1jdf h TRP 295 N 2.18 0.60 -0.23 2.11 4.06 -1.98 -0.20 115.95 122.49 1jdf h TRP 295 Ca -0.26 -0.05 -0.00 0.00 2.06 0.00 0.00 58.89 60.64 1jdf h TRP 295 Cb 1.25 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 1jdf h TRP 295 CO 0.59 0.54 0.13 -0.09 -3.56 0.00 0.00 178.44 176.04 1jdf h ARG 296 N 0.57 0.33 -0.10 0.49 2.43 -2.00 0.41 114.38 116.51 1jdf h ARG 296 Ca 0.13 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 1jdf h ARG 296 Cb 0.26 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1jdf h ARG 296 CO 0.00 0.30 -0.30 1.96 -1.51 0.00 0.00 179.97 180.41 1jdf h GLN 297 N 0.27 0.19 -0.59 0.20 4.20 -1.82 -2.82 115.11 114.74 1jdf h GLN 297 Ca 0.08 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.64 1jdf h GLN 297 Cb 0.07 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1jdf h GLN 297 CO -0.01 0.48 0.03 1.98 -0.67 0.00 0.00 178.83 180.64 1jdf h MET 298 N 0.17 1.02 -0.21 1.46 4.05 -0.19 -1.23 114.93 120.00 1jdf h MET 298 Ca 0.02 -0.31 0.05 0.00 -0.28 0.00 0.00 59.70 59.18 1jdf h MET 298 Cb 0.63 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.28 1jdf h MET 298 CO 0.05 0.99 -0.08 0.78 0.23 0.00 0.00 176.91 178.88 1jdf h GLY 299 N 0.92 0.12 2.00 1.39 0.00 -0.69 -0.49 103.07 106.32 1jdf h GLY 299 Ca 0.17 0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.52 1jdf h GLY 299 CO 0.02 -0.10 -0.40 0.45 0.00 0.00 0.00 176.54 176.52 1jdf h HIS 300 N -0.04 0.00 -0.40 5.60 -0.00 -1.49 -2.43 115.15 116.39 1jdf h HIS 300 Ca 0.11 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.38 1jdf h HIS 300 Cb 0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.59 1jdf h HIS 300 CO -0.24 0.40 -0.14 1.15 -0.00 0.00 0.00 177.93 179.10 1jdf h THR 301 N 0.00 1.26 -0.30 2.45 2.02 -0.32 -1.44 112.91 116.58 1jdf h THR 301 Ca -0.00 -1.18 -0.18 0.00 0.77 0.00 0.00 66.41 65.82 1jdf h THR 301 Cb 0.72 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1jdf h THR 301 CO 0.05 0.40 -0.51 -0.07 0.37 0.00 0.00 175.52 175.76 1jdf h LEU 302 N 0.66 0.93 -0.46 2.58 3.38 -0.80 0.34 115.31 121.95 1jdf h LEU 302 Ca 0.11 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 1jdf h LEU 302 Cb 0.60 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1jdf h LEU 302 CO 0.04 1.27 0.16 0.28 0.09 0.00 0.00 178.44 180.28 1jdf h SER 303 N 0.66 0.65 1.09 -0.43 0.02 -1.22 -2.93 113.55 111.40 1jdf h SER 303 Ca 0.03 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1jdf h SER 303 Cb 1.10 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1jdf h SER 303 CO 0.11 0.67 -0.31 0.18 -1.14 0.00 0.00 176.83 176.35 1jdf n LEU 304 N -4.56 0.66 -3.56 5.07 4.77 -0.56 -4.95 117.00 113.87 1jdf n LEU 304 Ca 0.01 0.37 -0.23 0.00 -0.03 0.00 0.00 56.01 56.13 1jdf n LEU 304 Cb 0.18 -0.27 0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1jdf n LEU 304 CO 0.38 -0.08 -0.04 0.00 -1.33 0.00 0.00 177.39 176.32 1jdf n GLN 305 N -2.06 -2.95 0.07 3.23 6.02 0.12 -4.81 117.38 117.00 1jdf n GLN 305 Ca 0.05 0.64 0.12 0.00 -0.01 0.00 0.00 57.00 57.79 1jdf n GLN 305 Cb 0.42 -5.01 0.03 0.00 1.02 0.00 0.00 30.24 26.70 1jdf n GLN 305 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1jdf n SER 306 N -2.97 0.70 -3.79 1.08 7.64 -0.85 -4.69 113.62 110.74 1jdf n SER 306 Ca -0.17 0.14 -0.22 0.00 1.01 0.00 0.00 58.87 59.64 1jdf n SER 306 Cb 0.63 0.57 -0.17 0.00 -1.01 0.00 0.00 64.21 64.23 1jdf n SER 306 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1jdf s VAL 307 N -3.29 0.37 -0.01 0.44 1.01 -1.26 -4.40 120.40 113.25 1jdf s VAL 307 Ca 0.01 0.09 0.12 0.00 0.00 0.00 0.00 61.98 62.20 1jdf s VAL 307 Cb 0.12 -0.50 -0.16 0.00 0.00 0.00 0.00 36.38 35.83 1jdf s VAL 307 CO 0.79 0.24 1.03 0.44 0.00 0.00 0.00 175.10 177.60 1jdf h ASP 308 N 8.09 0.00 -3.37 3.32 5.19 -1.63 -3.43 116.42 124.58 1jdf h ASP 308 Ca -0.24 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.57 1jdf h ASP 308 Cb 1.13 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 40.24 1jdf h ASP 308 CO 0.30 0.86 -0.74 -0.63 -3.12 0.00 0.00 179.24 175.91 1jdf s ILE 309 N -2.74 1.28 -0.17 0.35 1.01 0.55 -1.43 121.20 120.04 1jdf s ILE 309 Ca -0.01 -1.96 -0.29 0.00 0.00 0.00 0.00 60.65 58.39 1jdf s ILE 309 Cb 0.09 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 1jdf s ILE 309 CO 0.81 -0.74 1.10 -2.84 0.00 0.00 0.00 174.94 173.26 1jdf s PRO 310 N 1.05 4.30 -1.04 2.79 0.02 -1.22 -2.14 135.00 138.77 1jdf s PRO 310 Ca 0.13 1.46 -0.14 0.00 0.02 0.00 0.00 61.00 62.47 1jdf s PRO 310 Cb -0.20 -3.63 0.19 0.00 0.02 0.00 0.00 34.50 30.88 1jdf s PRO 310 CO -0.13 -0.55 1.15 -0.51 -0.33 0.00 0.00 177.00 176.63 1jdf s LEU 311 N 2.85 5.67 -1.29 -5.54 1.43 -0.53 -2.02 118.68 119.26 1jdf s LEU 311 Ca 0.49 -2.83 -0.17 0.00 -1.03 0.00 0.00 54.13 50.59 1jdf s LEU 311 Cb -0.18 -2.32 0.09 0.00 0.03 0.00 0.00 46.19 43.81 1jdf s LEU 311 CO 0.12 -0.69 1.71 0.00 0.23 0.00 0.00 176.35 177.73 1jdf n ALA 312 N 4.89 3.75 -1.62 4.21 0.00 -0.75 -3.85 120.51 127.14 1jdf n ALA 312 Ca 0.26 -3.93 -0.45 0.00 0.00 0.00 0.00 53.44 49.32 1jdf n ALA 312 Cb 0.44 -3.49 -0.04 0.00 0.00 0.00 0.00 19.45 16.36 1jdf n ALA 312 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jdf n ASP 313 N 7.70 3.46 0.29 0.00 4.64 -1.26 -4.61 116.55 126.77 1jdf n ASP 313 Ca 0.47 0.64 0.19 0.00 -1.38 0.00 0.00 54.79 54.70 1jdf n ASP 313 Cb 0.45 -1.47 0.97 0.00 -1.04 0.00 0.00 41.12 40.03 1jdf n ASP 313 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1jdf h PRO 314 N 11.92 0.00 -0.41 -0.67 0.13 -1.84 -1.64 132.00 139.49 1jdf h PRO 314 Ca -0.44 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.61 1jdf h PRO 314 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1jdf h PRO 314 CO 0.96 0.00 -0.07 0.45 -0.23 0.00 0.00 178.00 179.10 1jdf h HIS 315 N 0.00 0.75 -0.18 1.56 3.86 -1.88 0.54 115.15 119.81 1jdf h HIS 315 Ca 0.03 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1jdf h HIS 315 Cb 0.37 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1jdf h HIS 315 CO 0.00 0.75 0.00 1.97 0.86 0.00 0.00 177.93 181.51 1jdf n PHE 316 N -4.19 0.23 0.16 2.45 -1.74 -0.69 -4.17 117.46 109.50 1jdf n PHE 316 Ca 0.02 -0.20 0.02 0.00 -0.56 0.00 0.00 57.45 56.73 1jdf n PHE 316 Cb 0.33 -0.01 -0.03 0.00 1.52 0.00 0.00 39.48 41.29 1jdf n PHE 316 CO 0.00 0.00 0.00 0.91 -0.56 0.00 0.00 176.76 177.11 1jdf n TRP 317 N 0.78 0.00 -0.17 2.97 7.02 -0.76 -4.92 117.44 122.37 1jdf n TRP 317 Ca 0.11 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.60 1jdf n TRP 317 Cb 0.40 -0.02 -0.01 0.00 -2.42 0.00 0.00 31.31 29.26 1jdf n TRP 317 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1jdf n THR 318 N -1.22 -0.16 -0.10 -0.99 -2.24 0.19 -3.52 114.28 106.25 1jdf n THR 318 Ca 0.00 0.12 -0.11 0.00 -2.27 0.00 0.00 64.05 61.80 1jdf n THR 318 Cb 0.08 -0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 1jdf n THR 318 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1jdf h MET 319 N -0.12 0.51 0.00 -0.78 0.00 -1.90 -0.47 114.93 112.16 1jdf h MET 319 Ca -0.02 -0.15 -0.10 0.00 0.00 0.00 0.00 59.70 59.43 1jdf h MET 319 Cb 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 31.60 31.68 1jdf h MET 319 CO 0.01 0.63 -0.48 1.96 0.00 0.00 0.00 176.91 179.03 1jdf h GLN 320 N 0.31 0.00 -0.09 1.72 4.20 -1.93 -2.44 115.11 116.88 1jdf h GLN 320 Ca 0.09 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 1jdf h GLN 320 Cb 0.39 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 1jdf h GLN 320 CO 0.01 0.48 -0.05 0.78 -0.67 0.00 0.00 178.83 179.38 1jdf h GLY 321 N 1.71 0.21 0.80 3.46 0.00 -1.54 -1.49 103.07 106.22 1jdf h GLY 321 Ca -0.00 -0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.18 1jdf h GLY 321 CO 0.06 0.17 0.63 0.23 0.00 0.00 0.00 176.54 177.64 1jdf h SER 322 N -0.17 1.04 -0.26 0.19 0.87 -1.01 -0.94 113.55 113.26 1jdf h SER 322 Ca 0.02 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.47 1jdf h SER 322 Cb 0.50 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1jdf h SER 322 CO 0.01 0.68 -0.22 0.58 -0.53 0.00 0.00 176.83 177.36 1jdf h VAL 323 N 1.19 1.27 -0.36 2.23 2.07 -1.37 -0.40 116.25 120.88 1jdf h VAL 323 Ca 0.41 -1.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 1jdf h VAL 323 Cb 0.09 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1jdf h VAL 323 CO -0.15 0.44 0.10 0.03 0.02 0.00 0.00 177.57 178.01 1jdf h ARG 324 N 0.64 0.53 -0.16 1.57 3.08 -0.15 0.13 114.38 120.02 1jdf h ARG 324 Ca 0.09 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 1jdf h ARG 324 Cb 0.71 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1jdf h ARG 324 CO 0.05 0.47 -0.51 0.28 -1.07 0.00 0.00 179.97 179.20 1jdf h VAL 325 N 0.52 1.33 -0.42 2.04 2.07 -0.54 -1.94 116.25 119.31 1jdf h VAL 325 Ca 0.12 -1.75 -0.07 0.00 0.82 0.00 0.00 66.70 65.83 1jdf h VAL 325 Cb 0.18 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1jdf h VAL 325 CO -0.01 0.54 0.00 0.00 0.02 0.00 0.00 177.57 178.12 1jdf h ALA 326 N 1.10 0.57 -0.27 1.67 0.00 0.23 -0.36 119.26 122.19 1jdf h ALA 326 Ca 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1jdf h ALA 326 Cb 1.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1jdf h ALA 326 CO 0.09 0.35 0.11 1.96 0.00 0.00 0.00 179.25 181.76 1jdf h GLN 327 N 0.58 0.40 -0.84 0.00 4.20 -0.74 -2.01 115.11 116.69 1jdf h GLN 327 Ca 0.12 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.78 1jdf h GLN 327 Cb 0.48 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.15 1jdf h GLN 327 CO 0.02 0.43 0.55 1.98 -0.67 0.00 0.00 178.83 181.14 1jdf h MET 328 N 0.29 1.07 -0.49 1.46 4.05 -1.19 0.11 114.93 120.24 1jdf h MET 328 Ca 0.09 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.46 1jdf h MET 328 Cb 0.17 -0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 30.71 1jdf h MET 328 CO -0.01 0.71 0.31 0.00 0.23 0.00 0.00 176.91 178.15 1jdf h HIS 330 N 0.63 0.87 -0.02 0.00 6.17 -0.77 0.70 115.15 122.73 1jdf h HIS 330 Ca 0.18 -0.11 -0.11 0.00 0.71 0.00 0.00 60.37 61.05 1jdf h HIS 330 Cb -0.05 -0.24 -0.01 0.00 2.52 0.00 0.00 27.41 29.63 1jdf h HIS 330 CO -0.05 0.77 -0.51 0.93 0.71 0.00 0.00 177.93 179.78 1jdf h GLU 331 N 0.71 0.05 -0.03 5.26 5.08 -0.30 -3.19 114.58 122.17 1jdf h GLU 331 Ca 0.16 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1jdf h GLU 331 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1jdf h GLU 331 CO 0.00 0.55 -0.12 1.19 -1.00 0.00 0.00 179.01 179.63 1jdf n PHE 332 N -3.94 0.00 -0.57 4.33 3.72 0.93 -4.97 117.46 116.97 1jdf n PHE 332 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1jdf n PHE 332 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1jdf n PHE 332 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jdf n GLY 333 N 1.32 0.69 2.20 1.37 0.00 -0.28 -5.05 105.19 105.44 1jdf n GLY 333 Ca 0.12 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 1jdf n GLY 333 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jdf n LEU 334 N 0.00 0.00 -3.89 0.99 4.77 0.23 -5.00 117.00 114.10 1jdf n LEU 334 Ca 0.00 -1.16 -0.28 0.00 -0.03 0.00 0.00 56.01 54.55 1jdf n LEU 334 Cb 0.00 -0.39 -0.16 0.00 -2.33 0.00 0.00 43.42 40.53 1jdf n LEU 334 CO 0.00 -0.81 -0.43 -0.89 -1.33 0.00 0.00 177.39 173.94 1jdf s THR 335 N -1.77 1.09 0.44 -5.08 2.01 -0.52 -4.27 115.64 107.54 1jdf s THR 335 Ca 0.38 -0.58 -0.22 0.00 0.31 0.00 0.00 61.69 61.58 1jdf s THR 335 Cb -0.02 -1.25 -0.09 0.00 0.01 0.00 0.00 72.50 71.14 1jdf s THR 335 CO 0.26 0.16 1.01 0.86 -0.69 0.00 0.00 174.62 176.22 1jdf s TRP 336 N 1.64 3.19 0.31 4.92 -0.00 -1.26 -3.40 118.94 124.34 1jdf s TRP 336 Ca 0.01 1.62 -0.03 0.00 -0.00 0.00 0.00 56.10 57.70 1jdf s TRP 336 Cb -0.15 -3.02 0.01 0.00 -0.00 0.00 0.00 33.47 30.31 1jdf s TRP 336 CO -0.08 -0.53 0.46 0.41 -0.00 0.00 0.00 176.95 177.21 1jdf n GLY 337 N -0.14 2.08 2.95 5.86 0.00 -0.85 -2.00 105.19 113.09 1jdf n GLY 337 Ca 0.07 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 1jdf n GLY 337 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jdf s SER 338 N -2.86 -0.08 0.28 1.61 0.15 -1.26 -1.81 113.70 109.74 1jdf s SER 338 Ca 0.23 0.15 0.05 0.00 0.70 0.00 0.00 55.95 57.09 1jdf s SER 338 Cb -0.01 0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.42 1jdf s SER 338 CO 0.17 -0.03 0.41 -2.28 1.20 0.00 0.00 173.24 172.71 1jdf s HIS 339 N 0.07 3.33 0.28 3.44 5.65 -1.25 -2.18 115.29 124.63 1jdf s HIS 339 Ca -0.00 -0.07 -0.06 0.00 0.25 0.00 0.00 55.06 55.17 1jdf s HIS 339 Cb -0.01 -1.74 -0.01 0.00 -1.18 0.00 0.00 32.58 29.65 1jdf s HIS 339 CO -0.00 0.26 0.42 -1.54 -0.65 0.00 0.00 174.74 173.23 1jdf s SER 340 N -4.05 0.41 0.09 9.88 1.04 -1.26 -4.43 113.70 115.38 1jdf s SER 340 Ca 0.38 -1.26 -0.01 0.00 0.48 0.00 0.00 55.95 55.54 1jdf s SER 340 Cb -0.09 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 1jdf s SER 340 CO 0.30 -1.16 0.00 -1.81 0.98 0.00 0.00 173.24 171.55 1jdf s ASP 341 N -3.14 0.49 0.04 7.02 1.01 -1.26 -4.93 116.67 115.91 1jdf s ASP 341 Ca 0.29 -1.10 -0.37 0.00 0.71 0.00 0.00 52.55 52.08 1jdf s ASP 341 Cb 0.01 0.23 -0.16 0.00 1.01 0.00 0.00 42.92 44.00 1jdf s ASP 341 CO 0.15 -0.64 1.43 0.59 0.21 0.00 0.00 175.17 176.90 1jdf n ASN 342 N -0.00 1.93 -3.88 0.27 4.13 -1.26 -4.56 115.26 111.89 1jdf n ASN 342 Ca -0.10 1.11 -0.11 0.00 1.68 0.00 0.00 54.58 57.16 1jdf n ASN 342 Cb 0.62 -1.21 -0.06 0.00 -1.54 0.00 0.00 39.78 37.59 1jdf n ASN 342 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 1jdf s HIS 343 N 1.00 0.73 0.09 3.10 -3.43 -1.26 -4.94 115.29 110.58 1jdf s HIS 343 Ca 0.86 -1.02 0.01 0.00 -0.80 0.00 0.00 55.06 54.11 1jdf s HIS 343 Cb -0.94 -0.06 0.02 0.00 -1.43 0.00 0.00 32.58 30.17 1jdf s HIS 343 CO 0.48 -0.94 0.13 1.19 -2.00 0.00 0.00 174.74 173.61 1jdf n PHE 344 N -0.40 -2.93 0.80 0.38 3.01 -1.26 -4.73 117.46 112.34 1jdf n PHE 344 Ca -0.00 -0.33 0.10 0.00 1.01 0.00 0.00 57.45 58.23 1jdf n PHE 344 Cb 0.63 -0.09 0.46 0.00 -0.01 0.00 0.00 39.48 40.47 1jdf n PHE 344 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1jdf n ASP 345 N -2.90 0.00 -0.00 4.37 3.85 -1.26 -2.69 116.55 117.91 1jdf n ASP 345 Ca 0.03 0.29 -0.17 0.00 -0.71 0.00 0.00 54.79 54.23 1jdf n ASP 345 Cb 0.09 -0.41 -0.13 0.00 -1.35 0.00 0.00 41.12 39.32 1jdf n ASP 345 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 1jdf h ILE 346 N 0.00 1.60 -0.79 2.12 2.04 -1.96 -2.80 117.51 117.72 1jdf h ILE 346 Ca 0.00 -2.34 0.02 0.00 1.00 0.00 0.00 64.86 63.54 1jdf h ILE 346 Cb 0.28 3.14 -0.04 0.00 -0.74 0.00 0.00 36.82 39.46 1jdf h ILE 346 CO 0.00 0.64 0.53 0.28 0.00 0.00 0.00 178.15 179.60 1jdf h SER 347 N -0.57 0.89 -0.63 1.72 0.02 -1.83 -0.39 113.55 112.76 1jdf h SER 347 Ca -0.07 -0.02 0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1jdf h SER 347 Cb 1.31 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 63.57 1jdf h SER 347 CO 0.08 0.63 0.29 0.25 -1.14 0.00 0.00 176.83 176.94 1jdf h LEU 348 N 1.04 0.37 -0.52 5.07 5.85 -1.51 -0.26 115.31 125.35 1jdf h LEU 348 Ca 0.30 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.99 1jdf h LEU 348 Cb -0.06 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1jdf h LEU 348 CO -0.07 0.23 0.00 0.00 -0.34 0.00 0.00 178.44 178.25 1jdf h ALA 349 N 1.38 0.70 0.39 1.25 0.00 -0.96 -2.19 119.26 119.83 1jdf h ALA 349 Ca 0.30 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jdf h ALA 349 Cb 0.30 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1jdf h ALA 349 CO -0.25 0.51 -0.41 0.52 0.00 0.00 0.00 179.25 179.62 1jdf h MET 350 N 0.78 -0.80 0.00 0.00 2.86 0.48 -1.54 114.93 116.71 1jdf h MET 350 Ca 0.15 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1jdf h MET 350 Cb 0.52 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1jdf h MET 350 CO 0.03 -0.53 0.00 1.97 1.06 0.00 0.00 176.91 179.43 1jdf n PHE 351 N -5.50 0.68 -0.04 -0.22 -1.74 -0.28 -1.92 117.46 108.43 1jdf n PHE 351 Ca -0.10 0.23 -0.13 0.00 -0.56 0.00 0.00 57.45 56.89 1jdf n PHE 351 Cb 0.40 -0.87 -0.07 0.00 1.52 0.00 0.00 39.48 40.46 1jdf n PHE 351 CO 0.00 0.00 0.00 1.15 -0.56 0.00 0.00 176.76 177.35 1jdf h THR 352 N 0.00 1.32 -0.08 1.97 2.02 -0.82 0.40 112.91 117.72 1jdf h THR 352 Ca 0.00 -1.07 -0.10 0.00 0.77 0.00 0.00 66.41 66.02 1jdf h THR 352 Cb 0.53 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 1jdf h THR 352 CO 0.00 0.30 -0.39 0.45 0.37 0.00 0.00 175.52 176.25 1jdf h HIS 353 N -0.12 0.19 0.09 3.16 3.86 -1.11 -0.15 115.15 121.07 1jdf h HIS 353 Ca 0.02 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1jdf h HIS 353 Cb 0.50 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.93 1jdf h HIS 353 CO 0.07 0.54 -0.04 0.28 0.86 0.00 0.00 177.93 179.63 1jdf h VAL 354 N 0.14 1.06 -0.13 2.45 2.07 -1.23 -2.59 116.25 118.02 1jdf h VAL 354 Ca 0.01 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1jdf h VAL 354 Cb 0.76 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1jdf h VAL 354 CO 0.06 0.14 -0.02 0.00 0.02 0.00 0.00 177.57 177.77 1jdf h ALA 355 N 0.49 1.73 0.00 1.67 0.00 -0.77 -0.79 119.26 121.59 1jdf h ALA 355 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jdf h ALA 355 Cb 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1jdf h ALA 355 CO 0.02 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1jdf h ALA 356 N 1.80 1.00 -0.18 0.00 0.00 -0.65 -2.14 119.26 119.09 1jdf h ALA 356 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jdf h ALA 356 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1jdf h ALA 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1jdf n ALA 357 N -1.91 2.40 -2.63 0.00 0.00 -0.32 0.07 120.51 118.13 1jdf n ALA 357 Ca -0.00 -0.82 -0.43 0.00 0.00 0.00 0.00 53.44 52.19 1jdf n ALA 357 Cb 0.16 -0.56 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 1jdf n ALA 357 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jdf s ALA 358 N -1.21 3.46 0.63 0.00 0.00 -0.81 -4.64 121.76 119.19 1jdf s ALA 358 Ca 0.23 -0.22 -0.16 0.00 0.00 0.00 0.00 51.96 51.82 1jdf s ALA 358 Cb 0.14 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1jdf s ALA 358 CO 0.21 -1.53 1.10 -1.25 0.00 0.00 0.00 175.76 174.28 1jdf s PRO 359 N 3.59 3.01 3.47 0.00 0.04 -1.26 -4.82 135.00 139.02 1jdf s PRO 359 Ca 0.42 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1jdf s PRO 359 Cb -0.12 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1jdf s PRO 359 CO 0.17 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 176.54 1jdf n GLY 360 N -0.61 0.20 3.63 0.56 0.00 -1.26 -4.71 105.19 103.01 1jdf n GLY 360 Ca 0.10 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 1jdf n GLY 360 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jdf s LYS 361 N 0.00 4.12 0.31 1.61 2.36 -1.26 -5.06 119.74 121.82 1jdf s LYS 361 Ca 0.00 0.44 0.10 0.00 -2.55 0.00 0.00 55.97 53.96 1jdf s LYS 361 Cb 0.00 -3.62 -0.05 0.00 -1.05 0.00 0.00 37.83 33.10 1jdf s LYS 361 CO 0.00 -0.31 -0.08 0.96 1.55 0.00 0.00 175.35 177.48 1jdf s ILE 362 N 2.16 2.63 0.49 5.43 -4.36 -1.26 -4.43 121.20 121.85 1jdf s ILE 362 Ca 0.24 -2.14 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 1jdf s ILE 362 Cb -0.16 -2.63 0.01 0.00 1.25 0.00 0.00 42.46 40.94 1jdf s ILE 362 CO 0.09 -0.29 0.71 0.28 0.24 0.00 0.00 174.94 175.98 1jdf s THR 363 N -2.51 3.64 0.19 8.37 -1.32 -0.85 -4.99 115.64 118.17 1jdf s THR 363 Ca 0.32 -0.50 -0.33 0.00 -1.21 0.00 0.00 61.69 59.97 1jdf s THR 363 Cb -0.02 -3.36 -0.13 0.00 -1.51 0.00 0.00 72.50 67.48 1jdf s THR 363 CO 0.18 -0.26 1.65 0.00 -2.21 0.00 0.00 174.62 173.97 1jdf n ALA 364 N -2.18 2.13 -2.00 11.08 0.00 -1.26 -4.81 120.51 123.46 1jdf n ALA 364 Ca 0.03 0.42 -0.41 0.00 0.00 0.00 0.00 53.44 53.48 1jdf n ALA 364 Cb 0.58 -2.44 -0.04 0.00 0.00 0.00 0.00 19.45 17.56 1jdf n ALA 364 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jdf s ILE 365 N 1.01 3.56 0.40 0.00 -1.09 -0.45 -4.61 121.20 120.01 1jdf s ILE 365 Ca 0.76 1.36 -0.24 0.00 -2.23 0.00 0.00 60.65 60.30 1jdf s ILE 365 Cb -0.59 -3.87 -0.09 0.00 -1.58 0.00 0.00 42.46 36.34 1jdf s ILE 365 CO 0.35 0.24 1.09 -1.81 -1.23 0.00 0.00 174.94 173.59 1jdf s ASP 366 N -0.07 6.66 -0.28 3.58 1.11 -0.93 -1.09 116.67 125.65 1jdf s ASP 366 Ca 0.51 2.15 -0.20 0.00 0.18 0.00 0.00 52.55 55.19 1jdf s ASP 366 Cb -0.32 -2.60 0.11 0.00 1.07 0.00 0.00 42.92 41.18 1jdf s ASP 366 CO 0.38 -0.57 0.88 0.28 1.18 0.00 0.00 175.17 177.32 1jdf s THR 367 N -1.56 0.00 -1.74 -1.27 -1.32 -1.26 -4.57 115.64 103.92 1jdf s THR 367 Ca 0.58 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.32 1jdf s THR 367 Cb -0.25 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.00 1jdf s THR 367 CO 0.32 0.00 1.56 1.41 -2.21 0.00 0.00 174.62 175.69 1jdf n HIS 368 N 3.21 0.00 -0.36 9.09 8.25 -1.26 -4.35 115.22 129.80 1jdf n HIS 368 Ca -0.16 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.32 1jdf n HIS 368 Cb 0.57 -0.12 0.09 0.00 1.12 0.00 0.00 29.99 31.65 1jdf n HIS 368 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 1jdf n TRP 369 N -0.66 0.19 -0.32 4.41 -0.00 -1.26 -1.04 117.44 118.76 1jdf n TRP 369 Ca 0.12 1.19 0.35 0.00 -0.00 0.00 0.00 57.50 59.16 1jdf n TRP 369 Cb 0.35 -0.97 0.74 0.00 -0.00 0.00 0.00 31.31 31.44 1jdf n TRP 369 CO 0.00 0.00 0.00 -0.84 -0.00 0.00 0.00 177.69 176.85 1jdf h ILE 370 N 0.00 0.36 0.00 5.87 3.07 -1.95 0.41 117.51 125.28 1jdf h ILE 370 Ca 0.40 0.00 -0.11 0.00 1.55 0.00 0.00 64.86 66.70 1jdf h ILE 370 Cb 0.65 0.38 -0.02 0.00 -0.27 0.00 0.00 36.82 37.56 1jdf h ILE 370 CO -0.98 0.00 -0.52 -0.50 -1.05 0.00 0.00 178.15 175.09 1jdf h TRP 371 N 0.00 0.00 0.00 0.16 4.06 -1.45 -3.29 115.95 115.42 1jdf h TRP 371 Ca 0.56 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.51 1jdf h TRP 371 Cb 2.32 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.48 1jdf h TRP 371 CO 0.00 0.52 -1.25 1.04 -3.56 0.00 0.00 178.44 175.19 1jdf n GLN 372 N -3.43 1.16 -2.01 0.49 3.00 0.11 -4.82 117.38 111.88 1jdf n GLN 372 Ca 0.00 -0.08 -0.38 0.00 -0.01 0.00 0.00 57.00 56.54 1jdf n GLN 372 Cb 0.65 -1.31 0.01 0.00 0.00 0.00 0.00 30.24 29.60 1jdf n GLN 372 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1jdf s GLU 373 N -2.79 3.55 0.00 -1.09 -6.30 0.89 -3.30 118.70 109.65 1jdf s GLU 373 Ca -0.00 2.06 0.00 0.00 -2.50 0.00 0.00 54.97 54.53 1jdf s GLU 373 Cb 0.11 -2.42 0.00 0.00 0.00 0.00 0.00 34.13 31.82 1jdf s GLU 373 CO 0.65 -0.81 0.00 0.41 0.02 0.00 0.00 175.26 175.53 1jdf n GLY 374 N 0.60 2.22 1.06 -1.50 0.00 -1.26 -4.70 105.19 101.62 1jdf n GLY 374 Ca 0.08 -0.71 0.09 0.00 0.00 0.00 0.00 46.02 45.47 1jdf n GLY 374 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jdf n ASN 375 N 1.86 3.64 -3.86 1.61 0.23 -1.26 -4.96 115.26 112.52 1jdf n ASN 375 Ca 0.00 -2.12 -0.12 0.00 -0.53 0.00 0.00 54.58 51.81 1jdf n ASN 375 Cb 0.00 -0.40 -0.13 0.00 -2.08 0.00 0.00 39.78 37.17 1jdf n ASN 375 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1jdf s GLN 376 N -1.22 0.11 -0.21 -3.83 -0.21 -1.21 -5.10 119.66 107.99 1jdf s GLN 376 Ca 0.38 -0.01 -0.32 0.00 0.02 0.00 0.00 55.36 55.43 1jdf s GLN 376 Cb 0.21 0.05 0.15 0.00 1.00 0.00 0.00 33.01 34.42 1jdf s GLN 376 CO 0.23 -0.02 1.21 -0.98 -2.12 0.00 0.00 175.29 173.62 1jdf s ARG 377 N -0.18 0.29 0.00 2.91 1.70 -1.26 -4.68 118.95 117.73 1jdf s ARG 377 Ca -0.02 -0.03 0.00 0.00 -0.47 0.00 0.00 55.73 55.21 1jdf s ARG 377 Cb -0.02 0.14 0.00 0.00 -0.57 0.00 0.00 34.95 34.50 1jdf s ARG 377 CO 0.00 -0.11 0.19 1.28 -1.08 0.00 0.00 175.30 175.57 1jdf n LEU 378 N 0.24 0.37 -4.51 -1.89 4.77 -1.26 -4.75 117.00 109.97 1jdf n LEU 378 Ca -0.02 -0.62 -0.24 0.00 -0.03 0.00 0.00 56.01 55.10 1jdf n LEU 378 Cb 0.58 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.58 1jdf n LEU 378 CO 0.10 0.09 -0.44 0.42 -1.33 0.00 0.00 177.39 176.23 1jdf s THR 379 N -0.49 2.69 0.19 -5.08 -4.23 -1.26 0.32 115.64 107.78 1jdf s THR 379 Ca 0.00 -2.29 -0.11 0.00 -1.18 0.00 0.00 61.69 58.10 1jdf s THR 379 Cb 0.00 -2.43 0.11 0.00 1.34 0.00 0.00 72.50 71.52 1jdf s THR 379 CO 0.00 -0.39 1.78 0.11 -0.54 0.00 0.00 174.62 175.58 1jdf h LYS 380 N 2.18 0.50 -2.68 3.99 1.79 -0.46 -3.38 116.57 118.51 1jdf h LYS 380 Ca -0.41 -0.03 -0.59 0.00 -2.18 0.00 0.00 60.65 57.44 1jdf h LYS 380 Cb 1.26 -0.11 -0.39 0.00 -1.58 0.00 0.00 32.23 31.40 1jdf h LYS 380 CO 0.60 0.33 -0.83 -1.21 -1.08 0.00 0.00 179.45 177.27 1jdf s GLU 381 N -6.11 0.84 0.43 3.15 2.02 -1.26 -5.09 118.70 112.68 1jdf s GLU 381 Ca -0.13 -1.65 -0.25 0.00 0.02 0.00 0.00 54.97 52.95 1jdf s GLU 381 Cb 0.15 -1.65 -0.09 0.00 0.10 0.00 0.00 34.13 32.64 1jdf s GLU 381 CO 0.74 -1.22 1.33 -0.35 0.02 0.00 0.00 175.26 175.79 1jdf n PRO 382 N 3.72 2.06 -1.77 0.39 -0.04 -1.26 -4.92 135.00 133.17 1jdf n PRO 382 Ca 0.13 0.73 -0.38 0.00 -0.04 0.00 0.00 63.50 63.94 1jdf n PRO 382 Cb 0.38 -2.48 0.05 0.00 -0.04 0.00 0.00 33.50 31.40 1jdf n PRO 382 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1jdf s PHE 383 N -1.19 2.24 0.13 0.54 0.40 -1.26 -5.00 117.98 113.84 1jdf s PHE 383 Ca 0.61 1.39 0.06 0.00 -0.60 0.00 0.00 56.93 58.39 1jdf s PHE 383 Cb -0.49 -3.79 -0.04 0.00 0.51 0.00 0.00 43.02 39.21 1jdf s PHE 383 CO 0.58 -2.93 -0.01 -1.21 0.70 0.00 0.00 175.22 172.35 1jdf s GLU 384 N -2.98 2.45 -0.35 0.44 2.02 -1.26 -5.09 118.70 113.92 1jdf s GLU 384 Ca 0.73 -0.97 -0.10 0.00 0.02 0.00 0.00 54.97 54.65 1jdf s GLU 384 Cb -0.40 -2.44 0.02 0.00 0.10 0.00 0.00 34.13 31.40 1jdf s GLU 384 CO 0.47 0.50 0.19 0.42 0.02 0.00 0.00 175.26 176.85 1jdf s ILE 385 N -1.48 4.57 -0.12 -1.63 1.01 -1.26 -4.34 121.20 117.94 1jdf s ILE 385 Ca 0.26 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.20 1jdf s ILE 385 Cb -0.11 -3.48 0.02 0.00 0.01 0.00 0.00 42.46 38.90 1jdf s ILE 385 CO 0.18 -0.13 -0.14 -0.54 0.00 0.00 0.00 174.94 174.31 1jdf s LYS 386 N 1.57 2.14 -1.52 2.79 1.02 -0.20 -4.61 119.74 120.93 1jdf s LYS 386 Ca 0.03 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.50 1jdf s LYS 386 Cb -0.18 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1jdf s LYS 386 CO 0.06 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 1jdf n GLY 387 N 4.49 -0.30 2.30 -3.33 0.00 -0.22 -1.36 105.19 106.77 1jdf n GLY 387 Ca -0.18 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1jdf n GLY 387 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdf n GLY 388 N -1.01 0.36 3.39 -0.02 0.00 0.03 -4.68 105.19 103.26 1jdf n GLY 388 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 1jdf n GLY 388 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jdf s LEU 389 N 0.00 2.36 -0.13 0.99 1.43 -0.46 -0.08 118.68 122.79 1jdf s LEU 389 Ca 0.00 -0.79 0.01 0.00 -1.03 0.00 0.00 54.13 52.32 1jdf s LEU 389 Cb 0.00 -1.17 0.02 0.00 0.03 0.00 0.00 46.19 45.07 1jdf s LEU 389 CO 0.00 0.14 -0.16 -0.69 0.23 0.00 0.00 176.35 175.87 1jdf s VAL 390 N -1.32 1.65 0.23 -1.59 1.01 -0.17 -1.03 120.40 119.18 1jdf s VAL 390 Ca 0.16 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 1jdf s VAL 390 Cb -0.09 -1.51 -0.09 0.00 0.00 0.00 0.00 36.38 34.70 1jdf s VAL 390 CO 0.07 0.47 1.10 -1.10 0.00 0.00 0.00 175.10 175.64 1jdf s GLN 391 N 1.09 4.62 -0.33 2.72 -1.52 -1.26 -0.59 119.66 124.39 1jdf s GLN 391 Ca -0.03 1.76 -0.22 0.00 -1.95 0.00 0.00 55.36 54.92 1jdf s GLN 391 Cb -0.14 -3.23 0.00 0.00 -0.22 0.00 0.00 33.01 29.42 1jdf s GLN 391 CO -0.04 0.16 0.73 0.08 -0.25 0.00 0.00 175.29 175.96 1jdf s VAL 392 N -0.74 4.82 0.63 1.09 1.01 0.12 -4.93 120.40 122.40 1jdf s VAL 392 Ca 0.47 0.93 -0.18 0.00 0.00 0.00 0.00 61.98 63.19 1jdf s VAL 392 Cb -0.31 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 1jdf s VAL 392 CO 0.38 -0.29 1.21 -2.65 0.00 0.00 0.00 175.10 173.74 1jdf n PRO 393 N 6.17 1.10 0.05 2.72 -0.02 -1.26 -4.90 135.00 138.86 1jdf n PRO 393 Ca 0.02 0.43 0.07 0.00 -2.02 0.00 0.00 63.50 61.99 1jdf n PRO 393 Cb 0.48 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 1jdf n PRO 393 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1jdf n GLU 394 N -1.59 0.62 -1.56 -0.52 -0.58 -1.26 -4.85 120.64 110.90 1jdf n GLU 394 Ca 0.15 0.10 -0.35 0.00 -0.42 0.00 0.00 57.16 56.63 1jdf n GLU 394 Cb 0.48 -1.76 0.08 0.00 -0.57 0.00 0.00 31.44 29.67 1jdf n GLU 394 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1jdf s LYS 395 N -3.20 2.31 0.81 3.49 -2.85 -1.26 -4.17 119.74 114.87 1jdf s LYS 395 Ca -0.03 1.87 -0.15 0.00 -1.00 0.00 0.00 55.97 56.67 1jdf s LYS 395 Cb 0.10 -1.84 -0.01 0.00 -2.06 0.00 0.00 37.83 34.02 1jdf s LYS 395 CO 0.82 -1.73 0.52 -2.30 0.10 0.00 0.00 175.35 172.75 1jdf n PRO 396 N -2.39 0.09 0.00 1.78 -0.02 -1.26 -3.83 135.00 129.37 1jdf n PRO 396 Ca 0.14 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1jdf n PRO 396 Cb 0.49 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1jdf n PRO 396 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jdf n GLY 397 N 1.54 1.15 0.15 -1.23 0.00 -0.42 -2.84 105.19 103.54 1jdf n GLY 397 Ca 0.09 -0.62 0.13 0.00 0.00 0.00 0.00 46.02 45.61 1jdf n GLY 397 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jdf h LEU 398 N 0.00 0.00 0.14 0.99 3.38 -1.86 -1.15 115.31 116.81 1jdf h LEU 398 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1jdf h LEU 398 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1jdf h LEU 398 CO 0.00 0.00 -0.16 0.61 0.09 0.00 0.00 178.44 178.98 1jdf n GLY 399 N 0.68 0.30 3.29 0.83 0.00 -1.13 -4.93 105.19 104.22 1jdf n GLY 399 Ca 0.04 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 1jdf n GLY 399 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jdf s VAL 400 N -2.58 1.15 -0.18 1.61 -7.23 -1.26 -5.02 120.40 106.89 1jdf s VAL 400 Ca 0.06 -2.06 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 1jdf s VAL 400 Cb -0.03 -2.05 0.05 0.00 0.56 0.00 0.00 36.38 34.91 1jdf s VAL 400 CO 0.07 -0.57 -0.01 -1.61 -0.31 0.00 0.00 175.10 172.67 1jdf s GLU 401 N -3.79 1.08 0.23 4.82 2.02 -1.26 -5.05 118.70 116.76 1jdf s GLU 401 Ca 0.22 -0.49 -0.30 0.00 0.02 0.00 0.00 54.97 54.42 1jdf s GLU 401 Cb 0.04 -2.03 -0.09 0.00 0.10 0.00 0.00 34.13 32.14 1jdf s GLU 401 CO 0.04 -0.52 1.29 -1.50 0.02 0.00 0.00 175.26 174.59 1jdf s ILE 402 N 1.72 3.15 -0.77 -1.63 2.07 -1.26 0.28 121.20 124.75 1jdf s ILE 402 Ca -0.01 0.99 -0.14 0.00 -1.41 0.00 0.00 60.65 60.09 1jdf s ILE 402 Cb -0.16 -3.63 0.20 0.00 0.13 0.00 0.00 42.46 39.00 1jdf s ILE 402 CO -0.07 0.17 0.71 -0.62 -1.91 0.00 0.00 174.94 173.22 1jdf s ASP 403 N 0.08 6.63 0.56 4.50 3.68 0.15 -4.72 116.67 127.54 1jdf s ASP 403 Ca 0.54 -2.52 0.27 0.00 2.13 0.00 0.00 52.55 52.96 1jdf s ASP 403 Cb -0.37 -2.20 1.48 0.00 -1.45 0.00 0.00 42.92 40.38 1jdf s ASP 403 CO 0.41 -0.62 2.01 0.24 0.13 0.00 0.00 175.17 177.34 1jdf h MET 404 N 7.97 0.00 -0.27 4.34 2.86 -1.93 0.30 114.93 128.20 1jdf h MET 404 Ca 0.03 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.49 1jdf h MET 404 Cb 1.05 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.71 1jdf h MET 404 CO 0.81 0.00 -0.52 -0.44 1.06 0.00 0.00 176.91 177.82 1jdf h ASP 405 N 0.00 0.86 -0.46 1.22 3.45 -1.95 -0.38 116.42 119.16 1jdf h ASP 405 Ca 0.19 -0.45 -0.14 0.00 0.43 0.00 0.00 57.03 57.06 1jdf h ASP 405 Cb 0.88 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.39 1jdf h ASP 405 CO -0.00 1.22 -0.26 1.56 -1.57 0.00 0.00 179.24 180.19 1jdf h GLN 406 N 0.61 0.99 0.34 3.56 1.08 -1.34 -2.53 115.11 117.81 1jdf h GLN 406 Ca 0.02 -0.45 -0.02 0.00 -1.45 0.00 0.00 58.65 56.76 1jdf h GLN 406 Cb 1.10 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 1jdf h GLN 406 CO 0.11 1.12 -0.16 0.28 -0.95 0.00 0.00 178.83 179.23 1jdf h VAL 407 N 0.84 0.68 -0.51 -0.54 2.07 -0.88 -1.33 116.25 116.58 1jdf h VAL 407 Ca 0.10 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1jdf h VAL 407 Cb 0.84 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1jdf h VAL 407 CO 0.07 0.02 0.34 0.24 0.02 0.00 0.00 177.57 178.26 1jdf h MET 408 N -0.50 0.68 -0.41 1.57 2.86 -1.09 0.28 114.93 118.32 1jdf h MET 408 Ca -0.05 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.46 1jdf h MET 408 Cb 0.38 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1jdf h MET 408 CO 0.08 0.45 -0.13 0.87 1.06 0.00 0.00 176.91 179.23 1jdf h LYS 409 N 0.70 0.74 -0.55 1.72 1.57 -1.23 0.12 116.57 119.63 1jdf h LYS 409 Ca 0.19 -0.25 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 1jdf h LYS 409 Cb -0.08 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1jdf h LYS 409 CO -0.04 0.84 -0.10 0.00 -0.57 0.00 0.00 179.45 179.58 1jdf h ALA 410 N 1.19 0.76 -0.75 3.86 0.00 0.13 -1.69 119.26 122.74 1jdf h ALA 410 Ca 0.11 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1jdf h ALA 410 Cb 0.60 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1jdf h ALA 410 CO 0.04 0.67 0.24 1.25 0.00 0.00 0.00 179.25 181.45 1jdf h HIS 411 N 0.92 1.20 -0.69 0.00 -0.00 -0.07 -1.99 115.15 114.53 1jdf h HIS 411 Ca 0.14 -0.12 -0.06 0.00 -0.00 0.00 0.00 60.37 60.34 1jdf h HIS 411 Cb 0.67 -0.35 -0.03 0.00 -0.00 0.00 0.00 27.41 27.70 1jdf h HIS 411 CO 0.05 0.94 0.21 0.93 -0.00 0.00 0.00 177.93 180.06 1jdf h GLU 412 N 1.11 1.07 -0.94 5.26 5.08 -0.54 -0.63 114.58 125.00 1jdf h GLU 412 Ca 0.24 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1jdf h GLU 412 Cb 0.30 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1jdf h GLU 412 CO -0.01 0.93 0.60 1.25 -1.00 0.00 0.00 179.01 180.78 1jdf h LEU 413 N 1.01 1.09 0.35 1.33 5.85 -0.96 0.25 115.31 124.24 1jdf h LEU 413 Ca 0.22 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1jdf h LEU 413 Cb 0.31 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1jdf h LEU 413 CO -0.01 0.80 -0.17 0.22 -0.34 0.00 0.00 178.44 178.95 1jdf h TYR 414 N 1.28 -0.43 -0.00 1.25 5.03 -0.81 -2.79 116.97 120.49 1jdf h TYR 414 Ca 0.34 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.65 1jdf h TYR 414 Cb -0.12 0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.29 1jdf h TYR 414 CO 0.00 -0.15 -0.07 1.96 -1.32 0.00 0.00 178.16 178.59 1jdf h GLN 415 N -0.69 -0.11 -0.62 1.82 1.08 -0.86 -1.90 115.11 113.82 1jdf h GLN 415 Ca -0.05 0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.29 1jdf h GLN 415 Cb 0.48 0.03 -0.11 0.00 -0.05 0.00 0.00 27.48 27.83 1jdf h GLN 415 CO 0.08 -0.08 -0.05 -0.22 -0.95 0.00 0.00 178.83 177.61 1jdf h LYS 416 N -0.12 0.07 -0.36 1.46 3.64 -0.52 -1.45 116.57 119.29 1jdf h LYS 416 Ca 0.03 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1jdf h LYS 416 Cb 0.15 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1jdf h LYS 416 CO -0.07 0.05 0.00 0.72 -2.27 0.00 0.00 179.45 177.88 1jdf n HIS 417 N -5.33 0.47 -3.94 1.91 8.25 -1.06 -4.95 115.22 110.57 1jdf n HIS 417 Ca 0.09 -0.23 -0.26 0.00 -0.26 0.00 0.00 57.72 57.06 1jdf n HIS 417 Cb 0.35 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.45 1jdf n HIS 417 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jdf n GLY 418 N 1.28 -0.25 3.92 -1.41 0.00 -0.55 -4.95 105.19 103.23 1jdf n GLY 418 Ca 0.17 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 1jdf n GLY 418 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jdf s LEU 419 N -6.96 2.66 0.00 0.99 1.43 -1.02 -5.06 118.68 110.72 1jdf s LEU 419 Ca 0.06 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 1jdf s LEU 419 Cb -0.03 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.44 1jdf s LEU 419 CO 0.88 -2.24 0.00 0.61 0.23 0.00 0.00 176.35 175.84 1jdf n GLY 420 N -3.44 2.00 3.76 -3.19 0.00 -1.26 -4.94 105.19 98.11 1jdf n GLY 420 Ca 0.12 0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1jdf n GLY 420 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdf s ALA 421 N -1.00 2.88 0.40 4.61 0.00 -1.26 -4.22 121.76 123.17 1jdf s ALA 421 Ca 0.00 1.16 -0.26 0.00 0.00 0.00 0.00 51.96 52.86 1jdf s ALA 421 Cb 0.00 -3.49 -0.10 0.00 0.00 0.00 0.00 23.12 19.53 1jdf s ALA 421 CO 0.00 -1.07 1.26 -2.13 0.00 0.00 0.00 175.76 173.82 1jdf n ARG 422 N -0.82 1.93 -3.31 0.00 0.63 -1.26 -4.99 116.66 108.84 1jdf n ARG 422 Ca 0.09 0.68 -0.10 0.00 -0.92 0.00 0.00 57.85 57.60 1jdf n ARG 422 Cb 0.46 -2.35 -0.06 0.00 0.45 0.00 0.00 32.46 30.97 1jdf n ARG 422 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1jdf s ASP 423 N -0.50 0.32 0.00 6.15 3.68 -1.26 -5.01 116.67 120.05 1jdf s ASP 423 Ca 0.60 -1.01 0.25 0.00 2.13 0.00 0.00 52.55 54.52 1jdf s ASP 423 Cb -0.52 1.05 1.19 0.00 -1.45 0.00 0.00 42.92 43.18 1jdf s ASP 423 CO 0.59 -0.27 1.83 0.47 0.13 0.00 0.00 175.17 177.91 1jdf n ASP 424 N 4.65 0.00 0.11 -0.34 9.92 -1.26 -3.37 116.55 126.26 1jdf n ASP 424 Ca 0.08 0.15 -0.03 0.00 -0.53 0.00 0.00 54.79 54.45 1jdf n ASP 424 Cb 0.49 -0.37 0.09 0.00 -0.64 0.00 0.00 41.12 40.69 1jdf n ASP 424 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jdf h ALA 425 N 3.06 0.80 0.14 2.24 0.00 -1.82 -1.88 119.26 121.80 1jdf h ALA 425 Ca 0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 1jdf h ALA 425 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1jdf h ALA 425 CO 0.00 0.90 -0.21 1.98 0.00 0.00 0.00 179.25 181.93 1jdf h MET 426 N 0.01 -0.35 -0.29 0.00 -1.53 -1.88 -2.50 114.93 108.40 1jdf h MET 426 Ca -0.01 0.02 0.08 0.00 -3.44 0.00 0.00 59.70 56.36 1jdf h MET 426 Cb 1.28 0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 32.40 1jdf h MET 426 CO 0.10 -0.23 0.30 0.78 0.14 0.00 0.00 176.91 178.00 1jdf h GLY 427 N -0.36 0.00 2.00 1.39 0.00 -1.78 -1.34 103.07 102.98 1jdf h GLY 427 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 1jdf h GLY 427 CO -0.06 0.00 -0.27 -0.33 0.00 0.00 0.00 176.54 175.88 1jdf h MET 428 N 0.00 0.00 -0.93 4.80 2.86 -1.54 -3.23 114.93 116.90 1jdf h MET 428 Ca 0.14 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.82 1jdf h MET 428 Cb 0.74 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.34 1jdf h MET 428 CO -0.00 0.27 0.61 1.96 1.06 0.00 0.00 176.91 180.80 1jdf h GLN 429 N 0.00 1.11 -0.15 1.72 1.08 -1.04 0.36 115.11 118.18 1jdf h GLN 429 Ca -0.00 -0.07 -0.09 0.00 -1.45 0.00 0.00 58.65 57.04 1jdf h GLN 429 Cb 0.77 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 1jdf h GLN 429 CO 0.03 0.73 -0.31 1.88 -0.95 0.00 0.00 178.83 180.21 1jdf h TYR 430 N 1.14 0.32 0.05 2.96 -1.99 -1.73 -1.83 116.97 115.88 1jdf h TYR 430 Ca 0.38 -0.07 -0.09 0.00 2.00 0.00 0.00 58.73 60.94 1jdf h TYR 430 Cb 0.06 -0.08 0.01 0.00 2.00 0.00 0.00 36.73 38.72 1jdf h TYR 430 CO -0.00 0.57 -0.39 -0.07 -0.00 0.00 0.00 178.16 178.27 1jdf h LEU 431 N 0.25 0.26 -6.92 3.88 3.38 -1.40 -3.43 115.31 111.34 1jdf h LEU 431 Ca 0.03 -0.90 -0.55 0.00 0.09 0.00 0.00 57.88 56.55 1jdf h LEU 431 Cb 0.68 -0.08 -0.40 0.00 0.09 0.00 0.00 40.66 40.95 1jdf h LEU 431 CO 0.05 1.13 -0.77 -0.63 0.09 0.00 0.00 178.44 178.31 1jdf s ILE 432 N -2.65 0.30 0.08 1.22 1.01 0.12 -5.12 121.20 116.16 1jdf s ILE 432 Ca -0.16 -1.04 -0.37 0.00 0.00 0.00 0.00 60.65 59.09 1jdf s ILE 432 Cb -0.00 -1.25 -0.16 0.00 0.01 0.00 0.00 42.46 41.06 1jdf s ILE 432 CO 0.76 -0.72 1.37 -2.65 0.00 0.00 0.00 174.94 173.70 1jdf n PRO 433 N 5.05 1.22 -1.08 2.79 -0.02 -0.70 -0.91 135.00 141.35 1jdf n PRO 433 Ca -0.04 0.44 -0.03 0.00 -2.02 0.00 0.00 63.50 61.85 1jdf n PRO 433 Cb 0.42 -2.09 -0.01 0.00 -0.02 0.00 0.00 33.50 31.79 1jdf n PRO 433 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jdf n GLY 434 N 2.62 0.54 3.65 -1.23 0.00 -1.26 -4.97 105.19 104.55 1jdf n GLY 434 Ca 0.18 -0.24 -0.45 0.00 0.00 0.00 0.00 46.02 45.51 1jdf n GLY 434 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1jdf n TRP 435 N -2.68 1.90 -4.41 1.61 -0.00 -0.09 -5.00 117.44 108.77 1jdf n TRP 435 Ca -0.03 0.53 -0.21 0.00 -0.00 0.00 0.00 57.50 57.79 1jdf n TRP 435 Cb 0.21 -2.40 -0.13 0.00 -0.00 0.00 0.00 31.31 28.99 1jdf n TRP 435 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1jdf s THR 436 N -0.30 1.24 0.35 5.87 -4.23 -1.26 -4.88 115.64 112.43 1jdf s THR 436 Ca 0.67 -1.06 -0.29 0.00 -1.18 0.00 0.00 61.69 59.83 1jdf s THR 436 Cb -0.69 -1.11 -0.11 0.00 1.34 0.00 0.00 72.50 71.93 1jdf s THR 436 CO 0.53 0.04 1.44 0.12 -0.54 0.00 0.00 174.62 176.20 1jdf s PHE 437 N -0.86 2.77 -0.28 3.99 5.99 -1.26 -5.02 117.98 123.32 1jdf s PHE 437 Ca 0.03 1.20 -0.02 0.00 0.00 0.00 0.00 56.93 58.14 1jdf s PHE 437 Cb -0.08 -3.91 0.12 0.00 0.00 0.00 0.00 43.02 39.15 1jdf s PHE 437 CO 0.01 -2.68 0.24 0.34 -0.00 0.00 0.00 175.22 173.13 1jdf s ASP 438 N -0.16 2.22 0.00 6.13 3.68 -1.26 -5.03 116.67 122.25 1jdf s ASP 438 Ca 0.53 -0.86 0.05 0.00 2.13 0.00 0.00 52.55 54.39 1jdf s ASP 438 Cb -0.44 0.23 0.28 0.00 -1.45 0.00 0.00 42.92 41.54 1jdf s ASP 438 CO 0.57 -0.40 0.75 -0.46 0.13 0.00 0.00 175.17 175.77 1jdf n ASN 439 N 5.29 0.00 -0.06 -0.34 2.04 -1.26 -1.60 115.26 119.33 1jdf n ASN 439 Ca -0.04 -0.15 0.05 0.00 -0.44 0.00 0.00 54.58 54.00 1jdf n ASN 439 Cb 0.45 0.00 0.07 0.00 -2.53 0.00 0.00 39.78 37.77 1jdf n ASN 439 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1jdf n LYS 440 N -1.00 1.85 -3.61 -3.83 4.76 -1.26 -3.89 118.16 111.18 1jdf n LYS 440 Ca 0.04 -1.95 -0.15 0.00 -2.87 0.00 0.00 58.31 53.37 1jdf n LYS 440 Cb 0.02 -1.19 -0.13 0.00 -1.84 0.00 0.00 35.03 31.88 1jdf n LYS 440 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1jdf s ARG 441 N -1.82 0.15 0.10 1.97 6.06 -0.63 -4.71 118.95 120.07 1jdf s ARG 441 Ca 0.16 0.59 -0.35 0.00 -2.50 0.00 0.00 55.73 53.63 1jdf s ARG 441 Cb 0.14 -0.34 -0.18 0.00 0.06 0.00 0.00 34.95 34.62 1jdf s ARG 441 CO 0.01 -0.38 1.00 -2.30 -2.50 0.00 0.00 175.30 171.13 1jdf n PRO 442 N 5.34 0.42 -0.30 5.12 -0.02 -1.26 -4.67 135.00 139.63 1jdf n PRO 442 Ca -0.06 0.15 0.14 0.00 -2.02 0.00 0.00 63.50 61.72 1jdf n PRO 442 Cb 0.50 -1.56 0.31 0.00 -0.02 0.00 0.00 33.50 32.73 1jdf n PRO 442 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jdf h MET 444 N 0.26 0.00 -6.30 0.00 2.86 -1.57 -3.42 114.93 106.75 1jdf h MET 444 Ca 0.57 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.63 1jdf h MET 444 Cb 1.15 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.74 1jdf h MET 444 CO -0.62 0.36 0.79 0.08 1.06 0.00 0.00 176.91 178.58 1jdf s VAL 445 N -3.40 4.49 0.00 -2.22 1.01 0.02 -5.07 120.40 115.23 1jdf s VAL 445 Ca 0.02 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.53 1jdf s VAL 445 Cb 0.09 -4.42 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1jdf s VAL 445 CO 0.69 -0.56 0.00 0.54 0.00 0.00 0.00 175.10 175.77