#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 0.19 -0.07 4.37 -4.23 -1.26 -5.17 115.64 109.48 1jdf s THR 6 Ca 0.00 -1.53 -0.04 0.00 -1.18 0.00 0.00 61.69 58.94 1jdf s THR 6 Cb 0.00 -1.13 -0.04 0.00 1.34 0.00 0.00 72.50 72.68 1jdf s THR 6 CO 0.00 -0.84 0.12 0.42 -0.54 0.00 0.00 174.62 173.78 1jdf s THR 7 N -3.15 5.18 0.55 3.99 -4.23 -1.26 -5.09 115.64 111.63 1jdf s THR 7 Ca -0.00 -0.05 -0.20 0.00 -1.18 0.00 0.00 61.69 60.25 1jdf s THR 7 Cb 0.02 -3.31 -0.05 0.00 1.34 0.00 0.00 72.50 70.51 1jdf s THR 7 CO -0.07 0.50 1.22 -2.84 -0.54 0.00 0.00 174.62 172.89 1jdf s PRO 8 N -1.35 3.23 -0.09 3.99 0.02 -1.26 -4.91 135.00 134.63 1jdf s PRO 8 Ca 0.19 1.87 0.03 0.00 0.02 0.00 0.00 61.00 63.11 1jdf s PRO 8 Cb -0.12 -2.11 -0.02 0.00 0.02 0.00 0.00 34.50 32.27 1jdf s PRO 8 CO 0.09 -1.01 -0.17 0.08 -0.33 0.00 0.00 177.00 175.66 1jdf s VAL 9 N -1.54 2.75 0.17 3.83 1.01 -1.26 -2.11 120.40 123.25 1jdf s VAL 9 Ca 0.73 -0.80 -0.32 0.00 0.00 0.00 0.00 61.98 61.59 1jdf s VAL 9 Cb -0.31 -2.09 -0.10 0.00 0.00 0.00 0.00 36.38 33.87 1jdf s VAL 9 CO 0.36 0.56 1.58 -0.69 0.00 0.00 0.00 175.10 176.90 1jdf s VAL 10 N -0.10 2.55 -0.16 2.92 1.01 0.75 -1.12 120.40 126.25 1jdf s VAL 10 Ca -0.03 0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.38 1jdf s VAL 10 Cb -0.14 -3.25 -0.12 0.00 0.00 0.00 0.00 36.38 32.86 1jdf s VAL 10 CO 0.04 0.03 -0.11 0.35 0.00 0.00 0.00 175.10 175.42 1jdf n THR 11 N 3.87 0.96 -4.12 3.92 -2.24 0.16 -0.85 114.28 115.99 1jdf n THR 11 Ca 0.14 -0.42 -0.08 0.00 -2.27 0.00 0.00 64.05 61.42 1jdf n THR 11 Cb 0.38 -1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 67.51 1jdf n THR 11 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1jdf s GLU 12 N -2.34 0.72 -0.28 -0.78 2.02 -1.03 -4.80 118.70 112.21 1jdf s GLU 12 Ca -0.19 -1.29 -0.19 0.00 0.02 0.00 0.00 54.97 53.32 1jdf s GLU 12 Cb 0.05 0.12 0.11 0.00 0.10 0.00 0.00 34.13 34.51 1jdf s GLU 12 CO 0.43 -0.12 0.88 1.41 0.02 0.00 0.00 175.26 177.88 1jdf s MET 13 N -3.92 0.56 0.12 1.61 1.75 -1.26 -1.47 119.30 116.69 1jdf s MET 13 Ca 0.11 0.85 -0.10 0.00 -1.25 0.00 0.00 55.69 55.30 1jdf s MET 13 Cb 0.07 0.18 0.00 0.00 2.84 0.00 0.00 34.83 37.92 1jdf s MET 13 CO -0.07 -0.10 0.25 1.14 -0.65 0.00 0.00 175.02 175.60 1jdf s GLN 14 N 1.02 0.98 -0.07 4.11 -2.07 -0.58 -4.99 119.66 118.07 1jdf s GLN 14 Ca -0.05 -1.00 0.06 0.00 -1.82 0.00 0.00 55.36 52.55 1jdf s GLN 14 Cb -0.05 0.37 -0.01 0.00 -1.09 0.00 0.00 33.01 32.24 1jdf s GLN 14 CO -0.12 -0.34 -0.25 0.54 -1.32 0.00 0.00 175.29 173.80 1jdf s VAL 15 N -3.89 2.06 -0.21 3.63 0.11 -1.26 -2.10 120.40 118.74 1jdf s VAL 15 Ca 0.09 -1.05 0.00 0.00 -2.93 0.00 0.00 61.98 58.09 1jdf s VAL 15 Cb 0.04 -1.75 0.05 0.00 -1.53 0.00 0.00 36.38 33.19 1jdf s VAL 15 CO -0.07 0.57 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.57 1jdf s ILE 16 N -0.05 1.47 0.08 7.04 1.01 0.04 -4.96 121.20 125.83 1jdf s ILE 16 Ca -0.07 -1.05 -0.31 0.00 0.00 0.00 0.00 60.65 59.22 1jdf s ILE 16 Cb -0.15 -1.68 -0.06 0.00 0.01 0.00 0.00 42.46 40.58 1jdf s ILE 16 CO 0.05 0.01 1.27 -2.16 0.00 0.00 0.00 174.94 174.12 1jdf s PRO 17 N 1.44 4.38 0.22 2.79 0.04 -1.26 -1.24 135.00 141.37 1jdf s PRO 17 Ca -0.03 1.88 0.06 0.00 0.04 0.00 0.00 61.00 62.95 1jdf s PRO 17 Cb -0.17 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 1jdf s PRO 17 CO -0.07 -0.34 -0.08 0.14 0.04 0.00 0.00 177.00 176.69 1jdf s VAL 18 N 1.15 1.42 0.02 -0.36 -7.23 -0.04 -4.16 120.40 111.19 1jdf s VAL 18 Ca 0.61 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1jdf s VAL 18 Cb -0.32 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 1jdf s VAL 18 CO 0.29 -0.49 -0.03 0.00 -0.31 0.00 0.00 175.10 174.56 1jdf s ALA 19 N -3.17 0.18 0.17 1.32 0.00 -0.65 -1.52 121.76 118.09 1jdf s ALA 19 Ca 0.24 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.69 1jdf s ALA 19 Cb 0.03 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 1jdf s ALA 19 CO 0.07 -0.12 0.08 0.41 0.00 0.00 0.00 175.76 176.21 1jdf n GLY 20 N 1.79 3.67 3.81 0.00 0.00 -0.02 -4.61 105.19 109.82 1jdf n GLY 20 Ca -0.22 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.32 3.41 0.02 1.61 3.76 -1.26 -2.12 115.29 118.38 1jdf s HIS 21 Ca 0.11 0.35 -0.05 0.00 -0.15 0.00 0.00 55.06 55.33 1jdf s HIS 21 Cb 0.01 -1.85 -0.01 0.00 1.11 0.00 0.00 32.58 31.84 1jdf s HIS 21 CO 0.08 0.62 0.08 0.34 -0.85 0.00 0.00 174.74 175.01 1jdf s ASP 22 N -1.20 0.14 0.89 1.40 2.15 -0.74 -4.81 116.67 114.50 1jdf s ASP 22 Ca 0.17 -0.41 -0.13 0.00 0.43 0.00 0.00 52.55 52.61 1jdf s ASP 22 Cb -0.12 0.19 0.13 0.00 -0.30 0.00 0.00 42.92 42.83 1jdf s ASP 22 CO 0.07 -0.41 1.21 -0.44 -0.17 0.00 0.00 175.17 175.42 1jdf s SER 23 N -1.70 3.74 -1.42 -0.34 0.01 -1.26 -4.48 113.70 108.25 1jdf s SER 23 Ca -0.11 0.68 -0.12 0.00 1.31 0.00 0.00 55.95 57.70 1jdf s SER 23 Cb -0.06 -1.05 0.07 0.00 0.21 0.00 0.00 66.02 65.19 1jdf s SER 23 CO -0.01 -2.37 2.19 0.80 0.41 0.00 0.00 173.24 174.25 1jdf n MET 24 N -3.60 3.18 -2.44 12.44 1.56 -1.26 -4.64 117.12 122.36 1jdf n MET 24 Ca 0.10 -2.86 -0.42 0.00 -0.27 0.00 0.00 57.70 54.25 1jdf n MET 24 Cb 0.60 -3.13 -0.03 0.00 2.15 0.00 0.00 33.22 32.81 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 1.26 4.35 0.08 -0.89 1.43 -1.26 -1.68 118.68 121.96 1jdf s LEU 25 Ca 0.47 1.95 -0.11 0.00 -1.03 0.00 0.00 54.13 55.41 1jdf s LEU 25 Cb 0.13 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.72 1jdf s LEU 25 CO -0.06 -0.50 0.41 -0.04 0.23 0.00 0.00 176.35 176.40 1jdf s MET 26 N 1.40 3.79 0.25 1.70 -1.94 -0.85 -0.93 119.30 122.71 1jdf s MET 26 Ca 0.58 0.22 -0.21 0.00 -1.71 0.00 0.00 55.69 54.57 1jdf s MET 26 Cb -0.28 -3.01 0.05 0.00 2.01 0.00 0.00 34.83 33.61 1jdf s MET 26 CO 0.27 0.56 0.88 0.54 -0.01 0.00 0.00 175.02 177.27 1jdf s ASN 27 N -1.70 -0.10 0.36 3.03 2.20 -0.07 -4.56 114.94 114.10 1jdf s ASN 27 Ca 0.33 -0.71 0.13 0.00 -0.94 0.00 0.00 52.86 51.66 1jdf s ASN 27 Cb -0.14 0.64 0.94 0.00 -2.00 0.00 0.00 41.25 40.69 1jdf s ASN 27 CO 0.18 -1.24 1.79 0.25 -2.94 0.00 0.00 177.10 175.14 1jdf h LEU 28 N 2.00 0.59 0.00 3.54 5.85 -1.69 0.24 115.31 125.84 1jdf h LEU 28 Ca -0.26 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1jdf h LEU 28 Cb 1.24 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1jdf h LEU 28 CO 0.31 0.18 0.00 -1.20 -0.34 0.00 0.00 178.44 177.40 1jdf n SER 29 N -4.67 0.00 0.00 1.25 7.64 -1.26 -4.46 113.62 112.12 1jdf n SER 29 Ca 0.23 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 59.36 1jdf n SER 29 Cb 0.70 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.89 0.18 3.08 0.23 0.00 0.83 -3.82 105.19 106.59 1jdf n GLY 30 Ca 0.20 -1.46 -0.25 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.77 1.37 0.32 4.61 0.00 -0.42 -0.89 121.76 124.98 1jdf s ALA 31 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 1jdf s ALA 31 Cb 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 23.12 22.50 1jdf s ALA 31 CO 0.00 0.21 1.55 -1.01 0.00 0.00 0.00 175.76 176.50 1jdf s HIS 32 N 0.27 2.69 0.81 0.00 3.76 -0.11 -4.31 115.29 118.40 1jdf s HIS 32 Ca -0.08 0.94 -0.11 0.00 -0.15 0.00 0.00 55.06 55.66 1jdf s HIS 32 Cb -0.13 -4.04 0.08 0.00 1.11 0.00 0.00 32.58 29.60 1jdf s HIS 32 CO 0.03 -3.34 1.09 0.00 -0.85 0.00 0.00 174.74 171.67 1jdf s ALA 33 N -0.44 2.06 -0.82 -1.40 0.00 -1.26 -4.50 121.76 115.39 1jdf s ALA 33 Ca 0.59 0.19 0.15 0.00 0.00 0.00 0.00 51.96 52.89 1jdf s ALA 33 Cb -0.47 -3.26 0.64 0.00 0.00 0.00 0.00 23.12 20.03 1jdf s ALA 33 CO 0.54 -1.94 1.46 -0.35 0.00 0.00 0.00 175.76 175.46 1jdf n PRO 34 N -3.63 0.06 -4.10 0.00 -0.04 -1.26 -4.50 135.00 121.53 1jdf n PRO 34 Ca 0.09 0.36 -0.26 0.00 -0.04 0.00 0.00 63.50 63.65 1jdf n PRO 34 Cb 0.53 -1.62 -0.17 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 -3.12 1.45 0.05 0.54 0.08 -1.26 -1.79 117.98 113.93 1jdf s PHE 35 Ca 0.04 -0.67 0.00 0.00 0.12 0.00 0.00 56.93 56.43 1jdf s PHE 35 Cb 0.08 -1.17 -0.04 0.00 -0.57 0.00 0.00 43.02 41.32 1jdf s PHE 35 CO 0.24 -0.44 0.17 -0.59 -0.10 0.00 0.00 175.22 174.50 1jdf s PHE 36 N 1.40 3.43 0.19 0.36 -0.71 -0.90 -4.90 117.98 116.85 1jdf s PHE 36 Ca -0.01 0.22 0.09 0.00 -1.04 0.00 0.00 56.93 56.20 1jdf s PHE 36 Cb -0.13 -1.74 -0.04 0.00 -1.21 0.00 0.00 43.02 39.90 1jdf s PHE 36 CO -0.05 0.58 -0.11 0.95 -1.34 0.00 0.00 175.22 175.25 1jdf s THR 37 N -1.43 3.06 0.15 -4.49 -4.23 -1.26 -0.84 115.64 106.59 1jdf s THR 37 Ca 0.32 -1.74 -0.13 0.00 -1.18 0.00 0.00 61.69 58.95 1jdf s THR 37 Cb -0.13 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.21 1jdf s THR 37 CO 0.24 -0.13 0.36 -0.13 -0.54 0.00 0.00 174.62 174.42 1jdf s ARG 38 N -2.86 1.13 -0.11 3.99 1.81 -0.58 -2.56 118.95 119.77 1jdf s ARG 38 Ca 0.25 -0.92 0.03 0.00 -1.72 0.00 0.00 55.73 53.37 1jdf s ARG 38 Cb -0.08 0.44 -0.00 0.00 -0.45 0.00 0.00 34.95 34.85 1jdf s ARG 38 CO 0.15 -0.43 -0.22 -0.80 -0.68 0.00 0.00 175.30 173.31 1jdf s ASN 39 N -2.87 3.25 -0.14 0.23 -0.87 0.59 -0.86 114.94 114.27 1jdf s ASN 39 Ca 0.09 -0.52 -0.06 0.00 -1.57 0.00 0.00 52.86 50.80 1jdf s ASN 39 Cb 0.02 -1.44 -0.04 0.00 -0.02 0.00 0.00 41.25 39.77 1jdf s ASN 39 CO -0.06 0.16 0.07 -0.63 -2.57 0.00 0.00 177.10 174.07 1jdf s ILE 40 N 0.34 4.93 -0.11 0.60 -1.09 -0.38 -1.66 121.20 123.84 1jdf s ILE 40 Ca -0.18 -0.00 0.01 0.00 -2.23 0.00 0.00 60.65 58.25 1jdf s ILE 40 Cb -0.18 -3.16 -0.02 0.00 -1.58 0.00 0.00 42.46 37.53 1jdf s ILE 40 CO 0.08 0.55 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.53 1jdf s VAL 41 N -0.43 3.10 -0.07 2.92 1.01 0.12 -0.78 120.40 126.28 1jdf s VAL 41 Ca 0.10 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 1jdf s VAL 41 Cb -0.12 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 34.01 1jdf s VAL 41 CO 0.02 0.54 -0.04 -0.63 0.00 0.00 0.00 175.10 175.00 1jdf s ILE 42 N 0.02 0.59 -0.00 2.22 1.01 -0.89 -1.02 121.20 123.12 1jdf s ILE 42 Ca -0.04 -0.08 0.05 0.00 0.00 0.00 0.00 60.65 60.58 1jdf s ILE 42 Cb -0.14 -0.66 -0.01 0.00 0.01 0.00 0.00 42.46 41.65 1jdf s ILE 42 CO 0.04 0.27 -0.16 -0.63 0.00 0.00 0.00 174.94 174.47 1jdf s ILE 43 N 1.44 1.23 0.06 2.92 1.01 -0.47 -1.53 121.20 125.86 1jdf s ILE 43 Ca -0.02 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 59.94 1jdf s ILE 43 Cb -0.13 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 1jdf s ILE 43 CO -0.03 0.29 -0.16 -0.54 0.00 0.00 0.00 174.94 174.49 1jdf s LYS 44 N -0.53 1.00 0.41 2.79 1.02 -0.54 -0.33 119.74 123.56 1jdf s LYS 44 Ca 0.05 -0.93 0.07 0.00 0.02 0.00 0.00 55.97 55.18 1jdf s LYS 44 Cb -0.06 -1.08 -0.06 0.00 -0.52 0.00 0.00 37.83 36.10 1jdf s LYS 44 CO -0.00 0.26 0.12 0.16 -0.92 0.00 0.00 175.35 174.96 1jdf s ASP 45 N -1.50 4.23 0.00 2.83 3.84 -0.94 0.39 116.67 125.53 1jdf s ASP 45 Ca 0.02 -1.17 0.00 0.00 -0.00 0.00 0.00 52.55 51.40 1jdf s ASP 45 Cb -0.09 -0.46 0.00 0.00 -1.38 0.00 0.00 42.92 40.99 1jdf s ASP 45 CO 0.02 -0.50 0.65 -0.46 -0.00 0.00 0.00 175.17 174.89 1jdf n ASN 46 N -1.14 0.05 -0.89 2.11 6.94 -0.28 -2.33 115.26 119.73 1jdf n ASN 46 Ca -0.03 -1.36 0.10 0.00 -0.02 0.00 0.00 54.58 53.28 1jdf n ASN 46 Cb 0.65 -0.02 0.13 0.00 -2.36 0.00 0.00 39.78 38.18 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 -0.45 2.92 0.00 0.53 3.41 -1.26 -4.94 113.62 113.82 1jdf n SER 47 Ca 0.00 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 1jdf n SER 47 Cb 0.01 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 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 1.19 0.53 3.84 5.00 0.00 -0.98 -5.06 105.19 109.71 1jdf n GLY 48 Ca 0.14 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 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 3.30 -0.02 1.61 3.76 -1.25 -4.98 115.29 115.70 1jdf s HIS 49 Ca 0.00 0.10 0.06 0.00 -0.15 0.00 0.00 55.06 55.07 1jdf s HIS 49 Cb 0.00 -1.63 -0.02 0.00 1.11 0.00 0.00 32.58 32.05 1jdf s HIS 49 CO 0.00 0.53 -0.22 0.99 -0.85 0.00 0.00 174.74 175.20 1jdf s THR 50 N -1.57 1.71 0.01 1.30 2.01 -1.26 -2.21 115.64 115.63 1jdf s THR 50 Ca 0.32 -0.92 0.06 0.00 0.31 0.00 0.00 61.69 61.46 1jdf s THR 50 Cb -0.12 -1.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.95 1jdf s THR 50 CO 0.25 0.48 -0.20 -0.83 -0.69 0.00 0.00 174.62 173.64 1jdf s GLY 51 N -0.44 1.00 0.22 4.40 0.00 0.55 -4.68 107.32 108.37 1jdf s GLY 51 Ca 0.06 -0.91 0.07 0.00 0.00 0.00 0.00 44.72 43.95 1jdf s GLY 51 CO -0.00 -0.79 -0.12 -1.34 0.00 0.00 0.00 173.10 170.84 1jdf s VAL 52 N -0.58 1.68 0.08 1.40 -7.23 -1.26 -1.37 120.40 113.11 1jdf s VAL 52 Ca 0.07 -2.19 -0.15 0.00 -1.81 0.00 0.00 61.98 57.90 1jdf s VAL 52 Cb -0.08 -2.12 0.03 0.00 0.56 0.00 0.00 36.38 34.77 1jdf s VAL 52 CO 0.00 -0.54 0.36 -0.83 -0.31 0.00 0.00 175.10 173.78 1jdf s GLY 53 N -3.33 -0.19 -0.02 2.32 0.00 -0.19 -2.59 107.32 103.32 1jdf s GLY 53 Ca 0.24 0.01 -0.00 0.00 0.00 0.00 0.00 44.72 44.96 1jdf s GLY 53 CO 0.08 -0.23 0.03 1.85 0.00 0.00 0.00 173.10 174.82 1jdf s GLU 54 N -3.10 -0.02 0.20 2.90 2.12 -1.26 -0.70 118.70 118.85 1jdf s GLU 54 Ca -0.01 0.14 -0.06 0.00 0.36 0.00 0.00 54.97 55.40 1jdf s GLU 54 Cb 0.01 -0.16 -0.03 0.00 0.26 0.00 0.00 34.13 34.22 1jdf s GLU 54 CO -0.07 -0.11 0.24 0.96 -0.54 0.00 0.00 175.26 175.75 1jdf s ILE 55 N 0.71 0.02 0.64 -3.70 -4.36 -0.66 -4.76 121.20 109.08 1jdf s ILE 55 Ca -0.06 -1.73 -0.17 0.00 -0.26 0.00 0.00 60.65 58.43 1jdf s ILE 55 Cb -0.08 -2.27 -0.07 0.00 1.25 0.00 0.00 42.46 41.28 1jdf s ILE 55 CO -0.02 -0.09 0.48 -2.65 0.24 0.00 0.00 174.94 172.90 1jdf n PRO 56 N -0.28 0.40 -2.29 0.37 -0.02 -1.26 -0.30 135.00 131.62 1jdf n PRO 56 Ca -0.01 0.17 -0.25 0.00 -2.02 0.00 0.00 63.50 61.38 1jdf n PRO 56 Cb 0.64 -1.72 0.09 0.00 -0.02 0.00 0.00 33.50 32.49 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 -1.29 1.73 0.00 -1.23 0.00 -1.06 -3.76 107.32 101.71 1jdf s GLY 57 Ca 0.66 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 44.21 1jdf s GLY 57 CO 0.57 -0.70 0.00 0.61 0.00 0.00 0.00 173.10 173.58 1jdf n GLY 58 N -2.96 4.36 0.23 0.20 0.00 -1.26 -4.46 105.19 101.31 1jdf n GLY 58 Ca 0.10 -1.34 -0.06 0.00 0.00 0.00 0.00 46.02 44.73 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 0.55 -0.66 1.61 4.57 -1.92 -2.33 114.58 116.40 1jdf h GLU 59 Ca 0.00 -0.24 0.01 0.00 -1.18 0.00 0.00 59.36 57.95 1jdf h GLU 59 Cb 0.00 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 1jdf h GLU 59 CO 0.00 0.80 0.43 0.87 -1.18 0.00 0.00 179.01 179.93 1jdf h LYS 60 N 0.47 0.83 -0.18 1.92 6.56 -1.98 0.21 116.57 124.39 1jdf h LYS 60 Ca 0.06 -0.05 -0.09 0.00 -1.06 0.00 0.00 60.65 59.50 1jdf h LYS 60 Cb 0.79 -0.19 -0.00 0.00 -0.57 0.00 0.00 32.23 32.26 1jdf h LYS 60 CO 0.06 0.55 -0.25 0.82 -2.06 0.00 0.00 179.45 178.57 1jdf h ILE 61 N 0.86 1.34 0.06 1.86 2.04 -1.88 -1.28 117.51 120.51 1jdf h ILE 61 Ca 0.25 -1.46 0.01 0.00 1.00 0.00 0.00 64.86 64.65 1jdf h ILE 61 Cb -0.06 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1jdf h ILE 61 CO -0.07 0.44 -0.08 -0.09 0.00 0.00 0.00 178.15 178.36 1jdf h ARG 62 N 0.15 -0.16 -0.68 2.37 2.43 -1.18 -0.03 114.38 117.27 1jdf h ARG 62 Ca 0.02 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1jdf h ARG 62 Cb 0.82 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.37 1jdf h ARG 62 CO 0.06 -0.11 0.42 -0.22 -1.51 0.00 0.00 179.97 178.61 1jdf h LYS 63 N -0.17 0.79 -0.48 0.20 1.63 -0.61 -1.19 116.57 116.74 1jdf h LYS 63 Ca 0.01 -0.05 -0.10 0.00 -0.85 0.00 0.00 60.65 59.66 1jdf h LYS 63 Cb 0.17 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 1jdf h LYS 63 CO -0.04 0.53 -0.10 1.15 -3.45 0.00 0.00 179.45 177.54 1jdf h THR 64 N 0.82 1.26 -0.71 1.00 2.02 -0.95 0.17 112.91 116.53 1jdf h THR 64 Ca 0.28 -1.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 1jdf h THR 64 Cb 0.04 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 1jdf h THR 64 CO -0.12 0.42 0.34 -0.07 0.37 0.00 0.00 175.52 176.46 1jdf h LEU 65 N 0.79 0.91 -0.04 2.58 3.38 -0.48 -2.08 115.31 120.37 1jdf h LEU 65 Ca 0.13 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1jdf h LEU 65 Cb 0.61 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1jdf h LEU 65 CO 0.04 0.77 0.01 -0.08 0.09 0.00 0.00 178.44 179.26 1jdf h GLU 66 N 1.00 0.06 0.00 1.13 4.81 -0.63 -2.62 114.58 118.33 1jdf h GLU 66 Ca 0.25 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1jdf h GLU 66 Cb 0.10 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1jdf h GLU 66 CO -0.03 0.29 0.05 -0.44 -0.73 0.00 0.00 179.01 178.15 1jdf h ASP 67 N -0.18 0.00 0.65 1.04 3.45 -0.61 -1.93 116.42 118.84 1jdf h ASP 67 Ca 0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1jdf h ASP 67 Cb 0.26 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.03 1jdf h ASP 67 CO 0.00 0.00 -0.83 0.00 -1.57 0.00 0.00 179.24 176.85 1jdf n ALA 68 N -2.01 3.15 -0.23 3.45 0.00 -0.82 -4.46 120.51 119.59 1jdf n ALA 68 Ca -0.03 -0.32 0.01 0.00 0.00 0.00 0.00 53.44 53.10 1jdf n ALA 68 Cb 0.11 -1.07 0.09 0.00 0.00 0.00 0.00 19.45 18.58 1jdf n ALA 68 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1jdf h ILE 69 N 0.00 0.34 0.00 0.00 2.04 -1.20 0.06 117.51 118.74 1jdf h ILE 69 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1jdf h ILE 69 Cb 0.74 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1jdf h ILE 69 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 178.15 179.70 1jdf h PRO 70 N 0.03 0.00 0.00 2.37 0.13 -1.80 0.41 132.00 133.13 1jdf h PRO 70 Ca 0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.47 1jdf h PRO 70 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1jdf h PRO 70 CO -0.68 0.00 -0.50 -0.07 -0.23 0.00 0.00 178.00 176.53 1jdf h LEU 71 N 0.00 0.00 0.00 1.56 3.38 -1.28 -3.38 115.31 115.59 1jdf h LEU 71 Ca 0.00 -0.02 -0.39 0.00 0.09 0.00 0.00 57.88 57.56 1jdf h LEU 71 Cb 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 1jdf h LEU 71 CO 0.00 0.01 -2.21 0.52 0.09 0.00 0.00 178.44 176.85 1jdf n VAL 72 N -2.78 1.53 -1.73 1.22 0.31 -0.33 -4.90 118.33 111.66 1jdf n VAL 72 Ca 0.02 -0.28 -0.42 0.00 -0.01 0.00 0.00 64.34 63.65 1jdf n VAL 72 Cb 0.52 -1.95 -0.02 0.00 -0.91 0.00 0.00 33.84 31.48 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 -4.30 0.92 -0.41 2.52 0.31 -0.02 -2.67 118.33 114.69 1jdf n VAL 73 Ca -0.47 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 63.63 1jdf n VAL 73 Cb 0.82 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 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 2.32 0.78 3.66 2.92 0.00 -0.03 -4.90 105.19 109.94 1jdf n GLY 74 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.59 2.57 0.59 1.61 -0.14 -1.09 -4.83 119.74 117.85 1jdf s LYS 75 Ca 0.00 -0.78 -0.13 0.00 -1.36 0.00 0.00 55.97 53.70 1jdf s LYS 75 Cb 0.00 -2.54 -0.05 0.00 -1.68 0.00 0.00 37.83 33.56 1jdf s LYS 75 CO 0.00 0.57 1.02 0.95 -0.76 0.00 0.00 175.35 177.13 1jdf s THR 76 N -1.19 4.48 0.49 2.17 -4.23 -1.26 -0.18 115.64 115.92 1jdf s THR 76 Ca 0.22 0.97 0.16 0.00 -1.18 0.00 0.00 61.69 61.86 1jdf s THR 76 Cb -0.11 -3.71 0.24 0.00 1.34 0.00 0.00 72.50 70.25 1jdf s THR 76 CO 0.14 -0.89 2.09 -0.07 -0.54 0.00 0.00 174.62 175.35 1jdf h LEU 77 N 0.14 0.00 0.00 4.79 3.38 -1.78 -1.82 115.31 120.02 1jdf h LEU 77 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1jdf h LEU 77 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1jdf h LEU 77 CO 0.61 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.82 1jdf n GLY 78 N -1.34 -0.67 0.96 0.83 0.00 -1.26 -1.90 105.19 101.82 1jdf n GLY 78 Ca -0.03 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.38 2.76 -0.24 1.61 1.02 -0.68 -4.62 120.64 119.11 1jdf n GLU 79 Ca 0.03 -2.31 0.19 0.00 -0.02 0.00 0.00 57.16 55.06 1jdf n GLU 79 Cb 0.08 -1.40 0.52 0.00 -0.02 0.00 0.00 31.44 30.62 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 3.07 0.52 -0.21 -0.32 -0.00 -1.52 0.15 116.97 118.67 1jdf h TYR 80 Ca 0.00 0.02 -0.11 0.00 -0.00 0.00 0.00 58.73 58.64 1jdf h TYR 80 Cb 0.85 -0.16 -0.00 0.00 -0.00 0.00 0.00 36.73 37.41 1jdf h TYR 80 CO 0.34 0.14 -0.28 0.87 -0.00 0.00 0.00 178.16 179.22 1jdf h LYS 81 N 0.40 0.57 -0.28 0.10 1.57 -1.85 -1.24 116.57 115.84 1jdf h LYS 81 Ca 0.46 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 1jdf h LYS 81 Cb 1.17 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 1jdf h LYS 81 CO -0.17 0.93 -0.17 -0.91 -0.57 0.00 0.00 179.45 178.56 1jdf h ASN 82 N 0.25 0.49 -0.19 0.86 2.35 -1.39 -2.52 115.58 115.42 1jdf h ASN 82 Ca 0.02 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.59 1jdf h ASN 82 Cb 0.86 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 1jdf h ASN 82 CO 0.07 0.68 -0.06 0.58 -1.65 0.00 0.00 177.43 177.05 1jdf h VAL 83 N 0.45 1.29 -0.97 2.81 2.07 -0.70 -1.44 116.25 119.77 1jdf h VAL 83 Ca 0.08 -1.06 0.04 0.00 0.82 0.00 0.00 66.70 66.57 1jdf h VAL 83 Cb 0.56 1.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 1jdf h VAL 83 CO 0.04 0.32 0.63 -0.07 0.02 0.00 0.00 177.57 178.51 1jdf h LEU 84 N 0.08 1.06 -0.84 2.57 3.38 -1.10 0.80 115.31 121.24 1jdf h LEU 84 Ca 0.05 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1jdf h LEU 84 Cb 0.51 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1jdf h LEU 84 CO 0.02 0.72 -0.46 0.74 0.09 0.00 0.00 178.44 179.55 1jdf h THR 85 N 1.23 1.33 -0.24 0.22 2.02 -1.38 -0.26 112.91 115.82 1jdf h THR 85 Ca 0.39 -1.65 -0.05 0.00 0.77 0.00 0.00 66.41 65.86 1jdf h THR 85 Cb 0.00 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1jdf h THR 85 CO -0.12 0.49 -0.04 0.25 0.37 0.00 0.00 175.52 176.47 1jdf h LEU 86 N 0.21 0.45 -0.19 2.58 5.85 -0.09 -1.12 115.31 123.00 1jdf h LEU 86 Ca 0.01 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 1jdf h LEU 86 Cb 0.90 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1jdf h LEU 86 CO 0.07 0.69 0.12 0.58 -0.34 0.00 0.00 178.44 179.56 1jdf h VAL 87 N 0.21 1.08 0.02 1.05 2.07 -0.70 0.02 116.25 119.99 1jdf h VAL 87 Ca 0.06 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1jdf h VAL 87 Cb 0.48 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1jdf h VAL 87 CO 0.02 0.08 -0.13 -0.09 0.02 0.00 0.00 177.57 177.47 1jdf h ARG 88 N 0.23 -0.21 -0.63 1.57 2.43 -0.95 -2.23 114.38 114.59 1jdf h ARG 88 Ca 0.07 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 1jdf h ARG 88 Cb 0.02 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 1jdf h ARG 88 CO -0.01 -0.14 0.10 -0.91 -1.51 0.00 0.00 179.97 177.50 1jdf h ASN 89 N -0.22 0.97 -0.53 -3.80 2.35 -1.10 -0.47 115.58 112.78 1jdf h ASN 89 Ca 0.04 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.54 1jdf h ASN 89 Cb 0.27 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1jdf h ASN 89 CO -0.11 0.97 0.22 0.74 -1.65 0.00 0.00 177.43 177.60 1jdf h THR 90 N 0.96 1.21 -0.39 2.81 2.02 -0.80 -3.23 112.91 115.50 1jdf h THR 90 Ca 0.19 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1jdf h THR 90 Cb 0.41 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1jdf h THR 90 CO 0.01 0.25 0.00 0.49 0.37 0.00 0.00 175.52 176.64 1jdf n PHE 91 N -4.55 1.05 -0.33 3.16 3.72 -0.86 -4.70 117.46 114.96 1jdf n PHE 91 Ca 0.02 -0.72 0.11 0.00 -0.05 0.00 0.00 57.45 56.81 1jdf n PHE 91 Cb 0.15 -0.25 0.32 0.00 -0.94 0.00 0.00 39.48 38.75 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 2.53 1.70 -0.01 4.37 0.00 -1.09 -1.89 119.26 124.86 1jdf h ALA 92 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jdf h ALA 92 Cb 1.33 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1jdf h ALA 92 CO 0.20 0.01 0.08 0.38 0.00 0.00 0.00 179.25 179.92 1jdf h ASP 93 N 0.80 0.00 0.60 0.00 3.04 -1.85 -1.65 116.42 117.37 1jdf h ASP 93 Ca 0.51 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.30 1jdf h ASP 93 Cb 0.73 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.02 1jdf h ASP 93 CO -0.28 0.00 0.00 0.54 -2.04 0.00 0.00 179.24 177.46 1jdf n ARG 94 N -3.13 0.05 -0.45 4.15 1.74 -0.71 -2.36 116.66 115.96 1jdf n ARG 94 Ca -0.03 0.16 0.09 0.00 -0.77 0.00 0.00 57.85 57.30 1jdf n ARG 94 Cb 0.15 -1.50 0.26 0.00 -1.02 0.00 0.00 32.46 30.35 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 -1.46 3.91 0.02 0.55 8.00 -0.62 -4.53 116.55 122.42 1jdf n ASP 95 Ca 0.06 -2.99 0.09 0.00 0.71 0.00 0.00 54.79 52.65 1jdf n ASP 95 Cb 0.21 -0.54 0.52 0.00 -0.02 0.00 0.00 41.12 41.29 1jdf n ASP 95 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jdf h ALA 96 N 1.86 1.95 0.00 2.24 0.00 -1.61 -1.33 119.26 122.38 1jdf h ALA 96 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jdf h ALA 96 Cb 1.44 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1jdf h ALA 96 CO 0.22 -0.02 0.00 0.78 0.00 0.00 0.00 179.25 180.23 1jdf h GLY 97 N 0.34 0.00 0.00 0.00 0.00 -1.85 -3.49 103.07 98.06 1jdf h GLY 97 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1jdf h GLY 97 CO -0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.11 1jdf n GLY 98 N 0.17 -1.83 0.29 4.60 0.00 -0.50 -4.40 105.19 103.52 1jdf n GLY 98 Ca 0.02 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 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 1.01 0.00 1.61 2.43 -1.92 -3.33 114.38 114.19 1jdf h ARG 99 Ca 0.00 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1jdf h ARG 99 Cb 0.00 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1jdf h ARG 99 CO 0.00 1.01 0.00 0.41 -1.51 0.00 0.00 179.97 179.88 1jdf n GLY 100 N -0.38 -2.35 0.37 2.80 0.00 -1.26 -0.59 105.19 103.78 1jdf n GLY 100 Ca 0.02 -1.97 0.04 0.00 0.00 0.00 0.00 46.02 44.11 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 2.23 -4.76 0.99 4.77 -1.26 -4.96 117.00 114.01 1jdf n LEU 101 Ca 0.00 -1.63 -0.30 0.00 -0.03 0.00 0.00 56.01 54.05 1jdf n LEU 101 Cb 0.00 -0.09 0.22 0.00 -2.33 0.00 0.00 43.42 41.22 1jdf n LEU 101 CO 0.00 0.53 0.76 -1.10 -1.33 0.00 0.00 177.39 176.25 1jdf s GLN 102 N -0.85 -0.49 0.31 3.23 -1.52 -1.26 -4.88 119.66 114.20 1jdf s GLN 102 Ca 0.13 -0.32 0.26 0.00 -1.95 0.00 0.00 55.36 53.47 1jdf s GLN 102 Cb 0.07 -1.71 0.81 0.00 -0.22 0.00 0.00 33.01 31.97 1jdf s GLN 102 CO 0.10 -3.18 1.75 1.79 -0.25 0.00 0.00 175.29 175.50 1jdf h THR 103 N -2.19 0.00 -3.03 -0.19 1.35 -1.94 -3.45 112.91 103.46 1jdf h THR 103 Ca -0.44 -0.54 -0.63 0.00 -0.55 0.00 0.00 66.41 64.26 1jdf h THR 103 Cb 1.25 1.48 -0.14 0.00 -1.73 0.00 0.00 68.15 69.01 1jdf h THR 103 CO 0.32 0.00 -0.72 0.72 -0.25 0.00 0.00 175.52 175.59 1jdf s PHE 104 N -3.24 2.64 0.02 4.73 -0.12 -1.26 -5.02 117.98 115.72 1jdf s PHE 104 Ca 0.07 -0.22 -0.30 0.00 -0.05 0.00 0.00 56.93 56.43 1jdf s PHE 104 Cb 0.10 -1.29 -0.05 0.00 -0.63 0.00 0.00 43.02 41.14 1jdf s PHE 104 CO 0.56 0.51 1.26 0.34 -0.05 0.00 0.00 175.22 177.84 1jdf s ASP 105 N -2.80 7.00 0.00 1.98 -1.08 -1.26 -4.85 116.67 115.66 1jdf s ASP 105 Ca 0.25 2.00 0.19 0.00 -0.52 0.00 0.00 52.55 54.46 1jdf s ASP 105 Cb -0.09 -2.57 0.55 0.00 -1.46 0.00 0.00 42.92 39.36 1jdf s ASP 105 CO 0.15 -0.57 1.44 0.18 0.52 0.00 0.00 175.17 176.88 1jdf n LEU 106 N 4.65 2.32 -4.76 -1.34 4.77 0.24 -4.95 117.00 117.94 1jdf n LEU 106 Ca 0.11 -1.05 -0.30 0.00 -0.03 0.00 0.00 56.01 54.73 1jdf n LEU 106 Cb 0.45 -0.21 0.11 0.00 -2.33 0.00 0.00 43.42 41.44 1jdf n LEU 106 CO 0.56 0.53 0.69 -0.13 -1.33 0.00 0.00 177.39 177.71 1jdf s ARG 107 N -1.58 1.88 0.03 3.23 0.52 -1.25 -4.93 118.95 116.84 1jdf s ARG 107 Ca 0.33 0.94 0.00 0.00 -0.52 0.00 0.00 55.73 56.47 1jdf s ARG 107 Cb 0.18 -1.87 0.00 0.00 0.52 0.00 0.00 34.95 33.78 1jdf s ARG 107 CO 0.25 -1.84 0.00 2.41 0.02 0.00 0.00 175.30 176.14 1jdf n THR 108 N -3.63 0.34 -0.30 0.02 -1.04 -1.26 -4.75 114.28 103.65 1jdf n THR 108 Ca 0.08 0.11 0.11 0.00 -2.04 0.00 0.00 64.05 62.31 1jdf n THR 108 Cb 0.54 -1.14 0.34 0.00 -1.82 0.00 0.00 70.33 68.26 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 0.00 0.84 -0.75 12.58 2.02 -1.85 -1.44 112.91 124.31 1jdf h THR 109 Ca 0.00 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 1jdf h THR 109 Cb 0.00 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 1jdf h THR 109 CO 0.00 0.14 0.30 -0.29 0.37 0.00 0.00 175.52 176.04 1jdf h ILE 110 N 0.77 1.25 -0.39 3.11 6.09 -1.93 -1.11 117.51 125.29 1jdf h ILE 110 Ca 0.47 -0.80 -0.06 0.00 -1.37 0.00 0.00 64.86 63.11 1jdf h ILE 110 Cb 0.69 0.36 -0.01 0.00 0.47 0.00 0.00 36.82 38.32 1jdf h ILE 110 CO -0.23 0.32 0.03 0.45 -3.07 0.00 0.00 178.15 175.65 1jdf h HIS 111 N 1.09 0.72 -0.40 2.19 3.86 -1.45 -2.49 115.15 118.66 1jdf h HIS 111 Ca 0.25 -0.12 0.07 0.00 -1.16 0.00 0.00 60.37 59.41 1jdf h HIS 111 Cb 0.21 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.43 1jdf h HIS 111 CO 0.02 0.74 0.05 0.28 0.86 0.00 0.00 177.93 179.87 1jdf h VAL 112 N 0.50 0.75 -0.22 2.45 2.07 -0.92 -1.17 116.25 119.71 1jdf h VAL 112 Ca 0.11 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.62 1jdf h VAL 112 Cb 0.43 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1jdf h VAL 112 CO 0.01 0.03 -0.06 0.58 0.02 0.00 0.00 177.57 178.15 1jdf h VAL 113 N 0.17 0.76 -0.95 2.57 2.07 -1.06 -1.78 116.25 118.03 1jdf h VAL 113 Ca 0.20 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.75 1jdf h VAL 113 Cb 0.26 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1jdf h VAL 113 CO -0.29 0.00 0.62 0.74 0.02 0.00 0.00 177.57 178.66 1jdf h THR 114 N -0.02 1.17 -0.14 2.57 2.02 -0.97 0.14 112.91 117.69 1jdf h THR 114 Ca 0.11 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.88 1jdf h THR 114 Cb 0.18 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.44 1jdf h THR 114 CO -0.24 0.22 0.07 1.23 0.37 0.00 0.00 175.52 177.17 1jdf h GLY 115 N 1.21 0.18 1.30 2.16 0.00 -0.42 0.38 103.07 107.87 1jdf h GLY 115 Ca 0.37 -0.05 -0.15 0.00 0.00 0.00 0.00 47.33 47.50 1jdf h GLY 115 CO -0.11 0.04 -0.40 -2.22 0.00 0.00 0.00 176.54 173.86 1jdf h ILE 116 N 0.15 1.28 -0.20 2.60 2.04 -1.02 -3.03 117.51 119.34 1jdf h ILE 116 Ca 0.06 -1.58 0.05 0.00 1.00 0.00 0.00 64.86 64.39 1jdf h ILE 116 Cb 0.01 1.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 1jdf h ILE 116 CO -0.04 0.51 -0.11 -0.08 0.00 0.00 0.00 178.15 178.44 1jdf h GLU 117 N 0.63 -0.09 -0.07 2.37 4.81 -0.33 -0.24 114.58 121.66 1jdf h GLU 117 Ca 0.05 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1jdf h GLU 117 Cb 0.95 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.30 1jdf h GLU 117 CO 0.09 -0.06 -0.24 0.00 -0.73 0.00 0.00 179.01 178.07 1jdf h ALA 118 N 1.08 -0.26 -0.55 2.92 0.00 -0.88 0.14 119.26 121.71 1jdf h ALA 118 Ca 0.11 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1jdf h ALA 118 Cb 0.26 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1jdf h ALA 118 CO -0.26 -0.72 0.31 0.00 0.00 0.00 0.00 179.25 178.58 1jdf h ALA 119 N 0.57 0.72 -0.24 0.00 0.00 -1.21 0.39 119.26 119.50 1jdf h ALA 119 Ca 0.08 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1jdf h ALA 119 Cb 0.45 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1jdf h ALA 119 CO -0.26 -0.01 0.03 0.52 0.00 0.00 0.00 179.25 179.53 1jdf h MET 120 N 0.60 0.40 -0.35 0.00 2.07 -0.64 -1.73 114.93 115.28 1jdf h MET 120 Ca 0.24 -0.11 -0.02 0.00 -2.07 0.00 0.00 59.70 57.73 1jdf h MET 120 Cb 0.10 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 29.76 1jdf h MET 120 CO -0.14 0.54 0.13 -0.07 1.07 0.00 0.00 176.91 178.45 1jdf h LEU 121 N 0.19 0.44 -0.04 1.22 3.38 -0.44 0.19 115.31 120.25 1jdf h LEU 121 Ca 0.07 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1jdf h LEU 121 Cb 0.35 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1jdf h LEU 121 CO 0.01 0.41 0.02 -0.78 0.09 0.00 0.00 178.44 178.19 1jdf h ASP 122 N 0.49 0.05 -0.62 -0.43 3.58 -0.63 0.49 116.42 119.35 1jdf h ASP 122 Ca 0.12 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.43 1jdf h ASP 122 Cb 0.11 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.12 1jdf h ASP 122 CO -0.01 0.14 0.21 -0.07 -2.88 0.00 0.00 179.24 176.63 1jdf h LEU 123 N -0.03 0.88 -0.58 2.28 3.38 -0.50 -1.98 115.31 118.76 1jdf h LEU 123 Ca 0.01 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1jdf h LEU 123 Cb 0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1jdf h LEU 123 CO -0.00 0.84 0.09 0.25 0.09 0.00 0.00 178.44 179.70 1jdf h LEU 124 N 0.87 0.93 -0.62 1.67 5.85 -0.48 -0.18 115.31 123.35 1jdf h LEU 124 Ca 0.20 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1jdf h LEU 124 Cb 0.26 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1jdf h LEU 124 CO -0.01 0.95 0.23 1.23 -0.34 0.00 0.00 178.44 180.50 1jdf h GLY 125 N 0.86 1.01 0.97 3.75 0.00 -0.77 -0.26 103.07 108.63 1jdf h GLY 125 Ca 0.18 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1jdf h GLY 125 CO 0.01 0.53 0.22 1.46 0.00 0.00 0.00 176.54 178.77 1jdf h GLN 126 N 0.87 0.67 -0.62 4.80 4.20 -1.09 0.37 115.11 124.31 1jdf h GLN 126 Ca 0.20 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 1jdf h GLN 126 Cb 0.23 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1jdf h GLN 126 CO -0.01 0.56 0.11 1.25 -0.67 0.00 0.00 178.83 180.07 1jdf h HIS 127 N 0.61 1.06 -0.00 2.96 2.76 -0.74 -2.75 115.15 119.04 1jdf h HIS 127 Ca 0.16 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1jdf h HIS 127 Cb 0.12 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.78 1jdf h HIS 127 CO -0.01 0.89 -0.33 1.28 -1.30 0.00 0.00 177.93 178.46 1jdf n LEU 128 N -4.23 0.52 -0.64 0.26 4.77 -0.13 -4.95 117.00 112.59 1jdf n LEU 128 Ca 0.04 0.03 -0.06 0.00 -0.03 0.00 0.00 56.01 55.99 1jdf n LEU 128 Cb 0.27 -0.26 -0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1jdf n LEU 128 CO 0.42 0.11 -0.07 0.61 -1.33 0.00 0.00 177.39 177.13 1jdf n GLY 129 N 1.44 0.15 3.15 -0.72 0.00 0.11 -5.05 105.19 104.27 1jdf n GLY 129 Ca 0.08 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.28 0.68 0.73 1.61 -7.23 0.01 -4.66 120.40 109.26 1jdf s VAL 130 Ca 0.00 -1.71 -0.11 0.00 -1.81 0.00 0.00 61.98 58.35 1jdf s VAL 130 Cb 0.00 -1.40 0.03 0.00 0.56 0.00 0.00 36.38 35.57 1jdf s VAL 130 CO 0.00 -0.73 1.07 0.54 -0.31 0.00 0.00 175.10 175.67 1jdf s ASN 131 N -2.65 5.04 0.37 4.85 6.03 -1.24 -0.79 114.94 126.56 1jdf s ASN 131 Ca 0.06 1.50 0.04 0.00 -1.03 0.00 0.00 52.86 53.44 1jdf s ASN 131 Cb 0.01 -2.32 0.72 0.00 -3.03 0.00 0.00 41.25 36.63 1jdf s ASN 131 CO -0.03 -1.64 2.03 0.58 -2.03 0.00 0.00 177.10 176.00 1jdf h VAL 132 N -0.86 1.14 -0.88 3.54 2.07 -1.46 -2.04 116.25 117.75 1jdf h VAL 132 Ca -0.45 -0.27 0.16 0.00 0.82 0.00 0.00 66.70 66.96 1jdf h VAL 132 Cb 1.23 0.37 -0.10 0.00 -1.52 0.00 0.00 31.29 31.27 1jdf h VAL 132 CO 0.58 0.14 0.46 0.00 0.02 0.00 0.00 177.57 178.77 1jdf h ALA 133 N 1.66 1.37 0.00 1.67 0.00 -1.85 0.20 119.26 122.30 1jdf h ALA 133 Ca 0.19 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1jdf h ALA 133 Cb -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1jdf h ALA 133 CO -0.04 -0.11 0.00 0.43 0.00 0.00 0.00 179.25 179.53 1jdf n SER 134 N -4.87 0.31 -0.86 0.00 7.64 -0.77 -2.74 113.62 112.32 1jdf n SER 134 Ca 0.19 0.56 0.12 0.00 1.01 0.00 0.00 58.87 60.75 1jdf n SER 134 Cb 0.49 -0.63 0.23 0.00 -1.01 0.00 0.00 64.21 63.28 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 -1.82 2.65 -4.58 -3.43 4.77 0.68 -4.45 117.00 110.83 1jdf n LEU 135 Ca 0.04 -0.94 -0.30 0.00 -0.03 0.00 0.00 56.01 54.78 1jdf n LEU 135 Cb 0.25 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.20 1jdf n LEU 135 CO 0.20 0.47 -0.42 -0.76 -1.33 0.00 0.00 177.39 175.55 1jdf s LEU 136 N -1.91 3.05 0.00 2.23 1.43 -1.11 -4.96 118.68 117.42 1jdf s LEU 136 Ca 0.32 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1jdf s LEU 136 Cb 0.20 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.59 1jdf s LEU 136 CO 0.31 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.69 1jdf n GLY 137 N 0.81 2.62 1.92 -3.19 0.00 -1.26 -0.35 105.19 105.74 1jdf n GLY 137 Ca -0.14 0.31 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 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 4.09 3.67 0.00 1.61 10.43 -1.26 -5.06 116.55 130.02 1jdf n ASP 138 Ca 0.00 -3.57 0.00 0.00 2.57 0.00 0.00 54.79 53.79 1jdf n ASP 138 Cb 0.00 -0.77 0.00 0.00 1.84 0.00 0.00 41.12 42.19 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 -0.95 -3.04 3.74 0.44 0.00 0.52 -4.92 105.19 100.99 1jdf n GLY 139 Ca 0.50 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.73 4.37 -0.06 1.61 0.74 -1.21 -4.56 119.66 119.82 1jdf s GLN 140 Ca 0.00 2.11 0.09 0.00 0.05 0.00 0.00 55.36 57.61 1jdf s GLN 140 Cb 0.00 -3.16 -0.13 0.00 1.10 0.00 0.00 33.01 30.82 1jdf s GLN 140 CO 0.00 -0.25 0.11 1.04 -0.55 0.00 0.00 175.29 175.64 1jdf n GLN 141 N 2.22 1.54 -3.89 1.67 1.13 0.10 -4.98 117.38 115.17 1jdf n GLN 141 Ca 0.05 -0.04 -0.10 0.00 -1.94 0.00 0.00 57.00 54.97 1jdf n GLN 141 Cb 0.42 -1.24 -0.09 0.00 0.11 0.00 0.00 30.24 29.44 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 -2.43 0.63 0.00 -1.09 1.70 -1.05 -5.00 118.95 111.71 1jdf s ARG 142 Ca -0.04 -0.70 0.23 0.00 -0.47 0.00 0.00 55.73 54.75 1jdf s ARG 142 Cb 0.04 0.25 0.17 0.00 -0.57 0.00 0.00 34.95 34.84 1jdf s ARG 142 CO 0.40 -0.17 1.18 -1.13 -1.08 0.00 0.00 175.30 174.50 1jdf n SER 143 N 0.73 0.87 -3.76 -2.89 3.41 -1.26 -4.84 113.62 105.88 1jdf n SER 143 Ca -0.19 -0.72 -0.13 0.00 -0.26 0.00 0.00 58.87 57.57 1jdf n SER 143 Cb 0.59 0.58 -0.09 0.00 -0.26 0.00 0.00 64.21 65.03 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 -2.92 0.66 -0.13 4.33 -1.05 -1.26 -0.31 118.70 118.02 1jdf s GLU 144 Ca 0.11 -0.19 0.03 0.00 -0.15 0.00 0.00 54.97 54.77 1jdf s GLU 144 Cb 0.17 0.29 0.01 0.00 -0.44 0.00 0.00 34.13 34.16 1jdf s GLU 144 CO 0.75 -0.18 -0.22 0.08 0.95 0.00 0.00 175.26 176.64 1jdf s VAL 145 N -1.32 2.04 0.01 1.83 1.01 0.12 -4.91 120.40 119.17 1jdf s VAL 145 Ca -0.14 -0.98 -0.28 0.00 0.00 0.00 0.00 61.98 60.59 1jdf s VAL 145 Cb -0.05 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1jdf s VAL 145 CO 0.04 0.55 0.91 -0.70 0.00 0.00 0.00 175.10 175.90 1jdf s GLU 146 N 0.72 4.55 0.16 2.72 2.12 -1.26 -1.27 118.70 126.45 1jdf s GLU 146 Ca -0.09 1.30 0.06 0.00 0.36 0.00 0.00 54.97 56.60 1jdf s GLU 146 Cb -0.16 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 1jdf s GLU 146 CO 0.00 0.03 0.06 -1.64 -0.54 0.00 0.00 175.26 173.18 1jdf s MET 147 N 0.76 2.65 0.25 4.30 -1.94 0.12 -1.26 119.30 124.18 1jdf s MET 147 Ca 0.48 -0.98 0.06 0.00 -1.71 0.00 0.00 55.69 53.54 1jdf s MET 147 Cb -0.21 -2.50 -0.03 0.00 2.01 0.00 0.00 34.83 34.10 1jdf s MET 147 CO 0.26 0.47 0.26 -0.48 -0.01 0.00 0.00 175.02 175.53 1jdf s LEU 148 N -2.98 4.00 -0.32 -0.03 0.05 -0.56 -4.65 118.68 114.19 1jdf s LEU 148 Ca 0.29 -0.14 -0.22 0.00 0.05 0.00 0.00 54.13 54.12 1jdf s LEU 148 Cb -0.10 -2.54 -0.00 0.00 -2.05 0.00 0.00 46.19 41.50 1jdf s LEU 148 CO 0.21 -0.06 0.71 -0.83 -0.55 0.00 0.00 176.35 175.83 1jdf s GLY 149 N -3.90 1.73 -0.71 -3.48 0.00 0.11 -4.57 107.32 96.50 1jdf s GLY 149 Ca 0.34 -0.59 -0.22 0.00 0.00 0.00 0.00 44.72 44.24 1jdf s GLY 149 CO 0.27 1.61 1.02 -0.47 0.00 0.00 0.00 173.10 175.53 1jdf s TYR 150 N 2.82 2.70 0.23 1.90 6.14 -1.26 -0.65 117.35 129.23 1jdf s TYR 150 Ca 0.29 -0.63 -0.14 0.00 0.64 0.00 0.00 57.07 57.23 1jdf s TYR 150 Cb -0.14 -4.33 -0.08 0.00 0.42 0.00 0.00 41.96 37.83 1jdf s TYR 150 CO 0.13 -1.67 0.62 -0.51 0.64 0.00 0.00 175.55 174.77 1jdf s LEU 151 N 4.03 4.21 0.06 6.97 1.43 0.32 -4.97 118.68 130.73 1jdf s LEU 151 Ca 0.25 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 1jdf s LEU 151 Cb -0.14 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 1jdf s LEU 151 CO 0.07 -0.04 -0.04 -0.36 0.23 0.00 0.00 176.35 176.21 1jdf s PHE 152 N -1.72 0.60 -0.21 0.29 0.08 -1.26 -1.53 117.98 114.23 1jdf s PHE 152 Ca 0.46 -0.93 -0.21 0.00 0.12 0.00 0.00 56.93 56.37 1jdf s PHE 152 Cb -0.13 -0.40 -0.02 0.00 -0.57 0.00 0.00 43.02 41.90 1jdf s PHE 152 CO 0.20 -0.28 0.67 -0.06 -0.10 0.00 0.00 175.22 175.65 1jdf s PHE 153 N -3.38 3.35 -0.24 0.36 0.08 -1.26 -4.94 117.98 111.96 1jdf s PHE 153 Ca 0.04 0.96 -0.10 0.00 0.12 0.00 0.00 56.93 57.95 1jdf s PHE 153 Cb 0.04 -2.85 -0.05 0.00 -0.57 0.00 0.00 43.02 39.59 1jdf s PHE 153 CO -0.07 -0.23 0.14 0.08 -0.10 0.00 0.00 175.22 175.04 1jdf s VAL 154 N 2.13 5.13 0.70 -0.44 1.01 0.17 -2.01 120.40 127.10 1jdf s VAL 154 Ca 0.30 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.27 1jdf s VAL 154 Cb -0.16 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.84 1jdf s VAL 154 CO 0.10 0.35 1.07 -0.83 0.00 0.00 0.00 175.10 175.78 1jdf s GLY 155 N 1.15 1.65 -0.59 4.51 0.00 -0.68 0.12 107.32 113.49 1jdf s GLY 155 Ca 0.07 -0.10 -0.27 0.00 0.00 0.00 0.00 44.72 44.41 1jdf s GLY 155 CO 0.05 0.24 1.62 0.21 0.00 0.00 0.00 173.10 175.22 1jdf s ASN 156 N -4.01 5.74 0.53 1.64 3.84 -1.26 -4.11 114.94 117.31 1jdf s ASN 156 Ca 0.58 0.29 0.27 0.00 0.21 0.00 0.00 52.86 54.21 1jdf s ASN 156 Cb -0.13 -2.54 1.47 0.00 -0.55 0.00 0.00 41.25 39.51 1jdf s ASN 156 CO 0.54 -2.02 2.10 0.08 -2.79 0.00 0.00 177.10 175.01 1jdf h ARG 157 N 12.76 0.00 0.00 0.43 0.11 -1.92 -1.95 114.38 123.80 1jdf h ARG 157 Ca -0.27 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.78 1jdf h ARG 157 Cb 1.12 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.20 1jdf h ARG 157 CO 1.20 0.10 -0.13 0.87 0.10 0.00 0.00 179.97 182.11 1jdf h LYS 158 N 0.00 0.00 -0.07 0.08 1.79 -1.95 -1.64 116.57 114.78 1jdf h LYS 158 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1jdf h LYS 158 Cb 0.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1jdf h LYS 158 CO 0.01 0.13 0.00 0.00 -1.08 0.00 0.00 179.45 178.51 1jdf n ALA 159 N -2.23 2.35 -2.76 3.86 0.00 -0.73 -4.77 120.51 116.23 1jdf n ALA 159 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 1jdf n ALA 159 Cb 0.28 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.92 0.55 -1.30 0.00 -4.23 -0.62 -4.75 115.64 103.36 1jdf s THR 160 Ca 0.00 -1.20 0.07 0.00 -1.18 0.00 0.00 61.69 59.38 1jdf s THR 160 Cb 0.00 -0.76 0.30 0.00 1.34 0.00 0.00 72.50 73.38 1jdf s THR 160 CO 0.00 -0.46 1.10 -0.81 -0.54 0.00 0.00 174.62 173.91 1jdf n PRO 161 N 1.24 2.16 -3.04 3.99 -0.04 -1.26 -4.90 135.00 133.15 1jdf n PRO 161 Ca -0.21 -1.17 -0.34 0.00 -0.04 0.00 0.00 63.50 61.74 1jdf n PRO 161 Cb 0.56 -1.54 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.05 4.14 -0.73 1.53 1.43 -1.26 -4.98 118.68 117.75 1jdf s LEU 162 Ca 0.21 1.45 -0.08 0.00 -1.03 0.00 0.00 54.13 54.68 1jdf s LEU 162 Cb 0.14 -4.03 -0.18 0.00 0.03 0.00 0.00 46.19 42.14 1jdf s LEU 162 CO 0.10 -0.16 3.32 -0.81 0.23 0.00 0.00 176.35 179.03 1jdf n PRO 163 N -0.04 2.78 -2.15 1.29 -0.04 -1.26 -4.95 135.00 130.62 1jdf n PRO 163 Ca 0.02 -1.56 -0.42 0.00 -0.04 0.00 0.00 63.50 61.50 1jdf n PRO 163 Cb 0.52 -2.36 -0.03 0.00 -0.04 0.00 0.00 33.50 31.60 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 1.47 2.96 1.07 0.54 1.51 -1.26 -4.93 117.35 118.70 1jdf s TYR 164 Ca 0.68 0.80 -0.12 0.00 -1.01 0.00 0.00 57.07 57.42 1jdf s TYR 164 Cb 0.26 -3.72 0.23 0.00 -0.11 0.00 0.00 41.96 38.62 1jdf s TYR 164 CO -0.03 -2.65 1.06 1.14 -1.11 0.00 0.00 175.55 173.97 1jdf s GLN 165 N 1.86 -0.14 -0.16 -0.62 -2.07 -1.26 -5.06 119.66 112.21 1jdf s GLN 165 Ca 0.66 0.78 -0.30 0.00 -1.82 0.00 0.00 55.36 54.68 1jdf s GLN 165 Cb -0.35 -1.65 0.13 0.00 -1.09 0.00 0.00 33.01 30.05 1jdf s GLN 165 CO 0.29 -3.19 1.03 -1.54 -1.32 0.00 0.00 175.29 170.56 1jdf s SER 166 N -2.93 -0.33 -0.45 12.60 1.04 -1.26 -4.93 113.70 117.45 1jdf s SER 166 Ca 0.67 0.30 0.08 0.00 0.48 0.00 0.00 55.95 57.48 1jdf s SER 166 Cb -0.22 0.28 0.26 0.00 0.10 0.00 0.00 66.02 66.44 1jdf s SER 166 CO 0.61 -0.34 0.60 0.00 0.98 0.00 0.00 173.24 175.09 1jdf n GLN 167 N 0.55 1.22 -0.17 4.02 6.02 -1.26 -5.00 117.38 122.76 1jdf n GLN 167 Ca -0.09 -3.61 -0.01 0.00 -0.01 0.00 0.00 57.00 53.28 1jdf n GLN 167 Cb 0.58 -1.52 0.07 0.00 1.02 0.00 0.00 30.24 30.39 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 3.91 0.09 -0.95 -1.09 0.13 -1.90 -2.44 132.00 129.74 1jdf h PRO 168 Ca 0.10 -0.01 -0.51 0.00 -0.87 0.00 0.00 66.00 64.72 1jdf h PRO 168 Cb 0.83 -0.02 -0.30 0.00 0.13 0.00 0.00 31.00 31.64 1jdf h PRO 168 CO 0.56 0.06 0.62 -0.25 -0.23 0.00 0.00 178.00 178.75 1jdf n ASP 169 N -5.28 3.88 -4.68 1.44 9.92 -1.26 -4.95 116.55 115.63 1jdf n ASP 169 Ca 0.06 -3.63 -0.43 0.00 -0.53 0.00 0.00 54.79 50.26 1jdf n ASP 169 Cb 0.29 -0.83 -0.02 0.00 -0.64 0.00 0.00 41.12 39.92 1jdf n ASP 169 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1jdf s ASP 170 N -1.42 7.16 0.21 -2.24 3.68 -0.92 -4.92 116.67 118.21 1jdf s ASP 170 Ca 0.57 1.57 -0.14 0.00 2.13 0.00 0.00 52.55 56.68 1jdf s ASP 170 Cb 0.48 -2.55 0.24 0.00 -1.45 0.00 0.00 42.92 39.63 1jdf s ASP 170 CO 0.10 -0.54 1.35 -0.24 0.13 0.00 0.00 175.17 175.96 1jdf n SER 171 N 5.41 -0.53 -4.66 -0.34 2.88 -1.26 -4.37 113.62 110.75 1jdf n SER 171 Ca 0.10 1.51 -0.42 0.00 -1.33 0.00 0.00 58.87 58.73 1jdf n SER 171 Cb 0.47 -0.36 -0.03 0.00 -0.75 0.00 0.00 64.21 63.55 1jdf n SER 171 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jdf h ASP 173 N 8.88 -0.37 -0.06 0.00 3.45 -1.95 -2.18 116.42 124.19 1jdf h ASP 173 Ca -0.35 0.13 0.03 0.00 0.43 0.00 0.00 57.03 57.26 1jdf h ASP 173 Cb 1.16 0.25 -0.04 0.00 -0.56 0.00 0.00 39.33 40.14 1jdf h ASP 173 CO 0.95 -0.13 -0.14 -0.25 -1.57 0.00 0.00 179.24 178.10 1jdf h TRP 174 N 0.02 -0.36 -0.05 4.55 2.91 -1.92 0.25 115.95 121.34 1jdf h TRP 174 Ca 0.21 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.26 1jdf h TRP 174 Cb 0.32 0.17 -0.00 0.00 -0.51 0.00 0.00 29.16 29.14 1jdf h TRP 174 CO -0.36 -0.21 0.09 1.88 -1.03 0.00 0.00 178.44 178.80 1jdf h TYR 175 N -0.21 0.00 0.00 2.65 0.05 -1.79 -1.17 116.97 116.50 1jdf h TYR 175 Ca 0.07 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.67 1jdf h TYR 175 Cb 0.30 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.02 1jdf h TYR 175 CO -0.23 0.00 -1.18 -2.13 -1.05 0.00 0.00 178.16 173.57 1jdf n ARG 176 N -3.48 0.53 0.04 4.88 0.63 -0.68 -4.45 116.66 114.14 1jdf n ARG 176 Ca -0.02 0.50 0.02 0.00 -0.92 0.00 0.00 57.85 57.44 1jdf n ARG 176 Cb 0.17 -1.68 0.38 0.00 0.45 0.00 0.00 32.46 31.78 1jdf n ARG 176 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1jdf h LEU 177 N -1.00 0.39 0.00 6.15 3.38 -0.43 -2.77 115.31 121.03 1jdf h LEU 177 Ca -0.27 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1jdf h LEU 177 Cb 1.09 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1jdf h LEU 177 CO -0.16 0.41 0.00 -2.11 0.09 0.00 0.00 178.44 176.67 1jdf n ARG 178 N -4.36 0.00 0.00 1.13 1.85 -0.45 -0.50 116.66 114.33 1jdf n ARG 178 Ca 0.01 0.32 0.04 0.00 -1.00 0.00 0.00 57.85 57.22 1jdf n ARG 178 Cb 0.18 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.10 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 -1.32 0.00 -4.10 2.89 8.25 -1.04 -4.77 115.22 115.13 1jdf n HIS 179 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 1jdf n HIS 179 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 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 -0.83 3.03 0.12 -0.41 0.41 0.35 -4.81 118.70 116.55 1jdf s GLU 180 Ca 0.08 -0.52 -0.35 0.00 -0.41 0.00 0.00 54.97 53.77 1jdf s GLU 180 Cb 0.06 -2.84 -0.17 0.00 -1.78 0.00 0.00 34.13 29.41 1jdf s GLU 180 CO 0.13 0.63 1.22 -1.91 -0.49 0.00 0.00 175.26 174.84 1jdf n GLU 181 N 1.09 1.01 -3.43 1.61 2.13 -1.26 -4.72 120.64 117.07 1jdf n GLU 181 Ca -0.12 0.36 -0.21 0.00 0.66 0.00 0.00 57.16 57.85 1jdf n GLU 181 Cb 0.52 -1.91 -0.11 0.00 0.27 0.00 0.00 31.44 30.22 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 0.12 -0.10 -0.09 4.31 0.00 0.34 -4.91 121.76 121.43 1jdf s ALA 182 Ca 0.80 -0.77 0.14 0.00 0.00 0.00 0.00 51.96 52.13 1jdf s ALA 182 Cb -0.94 -1.75 0.21 0.00 0.00 0.00 0.00 23.12 20.63 1jdf s ALA 182 CO 0.50 -1.83 1.10 -1.33 0.00 0.00 0.00 175.76 174.20 1jdf n MET 183 N 4.95 1.02 -4.11 0.00 2.81 -1.26 -0.65 117.12 119.87 1jdf n MET 183 Ca 0.01 -2.14 -0.08 0.00 -1.81 0.00 0.00 57.70 53.68 1jdf n MET 183 Cb 0.44 -1.23 -0.10 0.00 -0.71 0.00 0.00 33.22 31.62 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 -2.09 0.24 0.20 2.03 -4.23 -1.26 -5.04 115.64 105.48 1jdf s THR 184 Ca 0.23 -1.84 -0.12 0.00 -1.18 0.00 0.00 61.69 58.78 1jdf s THR 184 Cb 0.20 -1.63 0.15 0.00 1.34 0.00 0.00 72.50 72.56 1jdf s THR 184 CO 0.02 -0.89 1.68 -0.65 -0.54 0.00 0.00 174.62 174.24 1jdf h PRO 185 N 3.08 0.14 -0.34 3.99 0.11 -1.93 -0.43 132.00 136.62 1jdf h PRO 185 Ca -0.34 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.82 1jdf h PRO 185 Cb 1.15 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 1jdf h PRO 185 CO 0.65 0.09 0.01 -0.44 -0.21 0.00 0.00 178.00 178.10 1jdf h ASP 186 N 0.15 -0.12 -0.82 -2.05 5.19 -1.96 0.15 116.42 116.95 1jdf h ASP 186 Ca 0.28 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.77 1jdf h ASP 186 Cb 0.44 0.13 -0.04 0.00 0.18 0.00 0.00 39.33 40.04 1jdf h ASP 186 CO -0.44 -0.03 0.50 0.00 -3.12 0.00 0.00 179.24 176.15 1jdf h ALA 187 N 1.29 1.04 -0.53 3.45 0.00 -1.70 -1.21 119.26 121.59 1jdf h ALA 187 Ca 0.16 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1jdf h ALA 187 Cb 0.22 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1jdf h ALA 187 CO -0.27 0.50 -0.08 0.28 0.00 0.00 0.00 179.25 179.68 1jdf h VAL 188 N 1.12 1.27 -0.55 0.00 2.07 -0.38 -1.14 116.25 118.64 1jdf h VAL 188 Ca 0.29 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 1jdf h VAL 188 Cb -0.05 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1jdf h VAL 188 CO -0.06 0.43 0.25 0.58 0.02 0.00 0.00 177.57 178.80 1jdf h VAL 189 N 0.87 1.21 -0.41 2.57 2.07 -0.37 -0.54 116.25 121.64 1jdf h VAL 189 Ca 0.14 -0.61 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 1jdf h VAL 189 Cb 0.64 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1jdf h VAL 189 CO 0.04 0.24 0.01 0.03 0.02 0.00 0.00 177.57 177.91 1jdf h ARG 190 N 0.75 0.66 -0.42 1.57 3.08 -1.07 0.65 114.38 119.61 1jdf h ARG 190 Ca 0.19 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1jdf h ARG 190 Cb 0.14 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1jdf h ARG 190 CO -0.02 0.67 0.13 1.25 -1.07 0.00 0.00 179.97 180.93 1jdf h LEU 191 N 0.62 0.61 -0.09 3.04 5.85 -0.66 -0.20 115.31 124.49 1jdf h LEU 191 Ca 0.13 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1jdf h LEU 191 Cb 0.38 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1jdf h LEU 191 CO 0.01 0.66 0.01 0.00 -0.34 0.00 0.00 178.44 178.78 1jdf h ALA 192 N 0.98 0.12 -0.51 1.25 0.00 -0.65 -0.96 119.26 119.48 1jdf h ALA 192 Ca 0.13 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1jdf h ALA 192 Cb 0.27 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 1jdf h ALA 192 CO -0.00 -0.22 0.08 0.93 0.00 0.00 0.00 179.25 180.04 1jdf h GLU 193 N -0.11 0.20 0.14 0.00 5.08 -0.74 0.40 114.58 119.56 1jdf h GLU 193 Ca 0.03 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1jdf h GLU 193 Cb 0.32 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1jdf h GLU 193 CO 0.00 0.13 -0.07 0.00 -1.00 0.00 0.00 179.01 178.08 1jdf h ALA 194 N 1.42 -0.19 -0.78 3.43 0.00 -0.87 -1.12 119.26 121.14 1jdf h ALA 194 Ca 0.26 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1jdf h ALA 194 Cb 0.37 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1jdf h ALA 194 CO -0.36 -0.60 0.51 0.00 0.00 0.00 0.00 179.25 178.79 1jdf h ALA 195 N 0.66 1.43 -0.35 0.00 0.00 -0.48 -2.31 119.26 118.20 1jdf h ALA 195 Ca -0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1jdf h ALA 195 Cb 0.15 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1jdf h ALA 195 CO 0.03 0.52 0.10 -0.92 0.00 0.00 0.00 179.25 178.99 1jdf h TYR 196 N 1.06 0.58 -0.47 0.00 3.20 0.11 0.40 116.97 121.85 1jdf h TYR 196 Ca 0.28 -0.06 0.02 0.00 3.14 0.00 0.00 58.73 62.11 1jdf h TYR 196 Cb -0.11 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 1jdf h TYR 196 CO 0.00 0.57 0.28 1.49 -1.64 0.00 0.00 178.16 178.86 1jdf h GLU 197 N 0.42 0.54 -0.05 1.82 4.81 -0.83 1.01 114.58 122.30 1jdf h GLU 197 Ca 0.11 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1jdf h GLU 197 Cb 0.27 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1jdf h GLU 197 CO -0.00 0.36 -0.10 -0.22 -0.73 0.00 0.00 179.01 178.32 1jdf h LYS 198 N 0.56 0.16 -0.01 1.92 1.63 -1.33 -3.38 116.57 116.13 1jdf h LYS 198 Ca 0.19 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1jdf h LYS 198 Cb 0.01 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1jdf h LYS 198 CO -0.09 0.68 -0.20 0.66 -3.45 0.00 0.00 179.45 177.05 1jdf n TYR 199 N -4.67 0.00 -3.53 1.91 4.02 0.12 -4.90 117.16 110.10 1jdf n TYR 199 Ca -0.08 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.59 1jdf n TYR 199 Cb 0.34 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.74 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 0.88 -0.47 3.74 2.72 0.00 0.35 -0.11 105.19 112.30 1jdf n GLY 200 Ca 0.04 0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.31 2.26 -0.20 1.61 0.08 -1.26 -2.05 117.98 115.11 1jdf s PHE 201 Ca 0.50 1.57 -0.02 0.00 0.12 0.00 0.00 56.93 59.10 1jdf s PHE 201 Cb -0.22 -3.41 -0.12 0.00 -0.57 0.00 0.00 43.02 38.71 1jdf s PHE 201 CO 0.70 -2.31 -0.20 0.09 -0.10 0.00 0.00 175.22 173.40 1jdf n ASN 202 N -2.38 2.18 -4.70 1.36 3.02 -1.26 -4.90 115.26 108.58 1jdf n ASN 202 Ca 0.13 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.41 1jdf n ASN 202 Cb 0.50 -0.40 -0.07 0.00 -0.61 0.00 0.00 39.78 39.20 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 -6.19 4.97 0.11 6.41 1.01 -1.26 -4.09 116.67 117.64 1jdf s ASP 203 Ca -0.27 -0.32 0.02 0.00 0.71 0.00 0.00 52.55 52.69 1jdf s ASP 203 Cb 0.08 -1.13 -0.04 0.00 1.01 0.00 0.00 42.92 42.84 1jdf s ASP 203 CO 0.42 0.09 -0.06 -0.36 0.21 0.00 0.00 175.17 175.47 1jdf s PHE 204 N -1.71 0.95 -0.01 4.23 0.08 -0.50 0.07 117.98 121.08 1jdf s PHE 204 Ca 0.28 -0.91 0.00 0.00 0.12 0.00 0.00 56.93 56.43 1jdf s PHE 204 Cb -0.10 -0.54 0.01 0.00 -0.57 0.00 0.00 43.02 41.83 1jdf s PHE 204 CO 0.20 -0.13 -0.00 0.21 -0.10 0.00 0.00 175.22 175.39 1jdf s LYS 205 N -3.83 0.15 -0.14 0.44 2.20 0.18 -3.09 119.74 115.65 1jdf s LYS 205 Ca 0.13 0.02 0.02 0.00 -0.36 0.00 0.00 55.97 55.78 1jdf s LYS 205 Cb 0.05 -0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.12 1jdf s LYS 205 CO -0.04 -0.05 -0.20 -1.17 -0.36 0.00 0.00 175.35 173.54 1jdf s LEU 206 N 0.45 2.23 -0.11 5.43 2.96 -0.77 0.12 118.68 128.99 1jdf s LEU 206 Ca -0.04 -0.55 -0.30 0.00 -0.22 0.00 0.00 54.13 53.03 1jdf s LEU 206 Cb -0.06 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.13 1jdf s LEU 206 CO -0.01 0.10 1.20 -0.75 -1.32 0.00 0.00 176.35 175.57 1jdf s LYS 207 N 0.70 4.30 0.00 1.98 2.47 -0.58 -1.66 119.74 126.95 1jdf s LYS 207 Ca -0.09 1.63 0.00 0.00 -1.56 0.00 0.00 55.97 55.95 1jdf s LYS 207 Cb -0.16 -3.64 0.00 0.00 -1.46 0.00 0.00 37.83 32.57 1jdf s LYS 207 CO 0.01 -0.55 0.00 0.41 0.16 0.00 0.00 175.35 175.38 1jdf n GLY 208 N 3.44 3.52 2.13 5.54 0.00 0.14 -4.45 105.19 115.51 1jdf n GLY 208 Ca 0.12 -1.99 -0.05 0.00 0.00 0.00 0.00 46.02 44.10 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 0.55 0.76 -0.02 0.00 -1.26 -4.15 105.19 106.08 1jdf n GLY 209 Ca 0.00 -0.78 -0.06 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.26 0.77 -3.70 1.61 0.31 -1.26 -1.90 118.33 110.91 1jdf n VAL 210 Ca -0.05 0.06 -0.24 0.00 -0.01 0.00 0.00 64.34 64.10 1jdf n VAL 210 Cb 0.30 -1.68 -0.01 0.00 -0.91 0.00 0.00 33.84 31.54 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 -6.75 2.96 0.29 7.52 1.43 -1.26 -1.21 118.68 121.67 1jdf s LEU 211 Ca -0.10 -1.05 -0.30 0.00 -1.03 0.00 0.00 54.13 51.65 1jdf s LEU 211 Cb 0.03 -1.49 -0.13 0.00 0.03 0.00 0.00 46.19 44.63 1jdf s LEU 211 CO 0.13 -0.99 1.39 0.00 0.23 0.00 0.00 176.35 177.12 1jdf n ALA 212 N -1.75 1.44 -0.27 4.21 0.00 -1.26 -4.72 120.51 118.17 1jdf n ALA 212 Ca 0.02 0.38 0.08 0.00 0.00 0.00 0.00 53.44 53.92 1jdf n ALA 212 Cb 0.63 -2.30 0.22 0.00 0.00 0.00 0.00 19.45 18.00 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 3.61 1.20 1.62 0.00 0.00 -1.99 0.20 103.07 107.71 1jdf h GLY 213 Ca -0.46 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 46.79 1jdf h GLY 213 CO 0.71 -0.19 0.22 1.05 0.00 0.00 0.00 176.54 178.32 1jdf h GLU 214 N 0.35 0.36 0.01 4.80 -0.00 -1.96 -2.20 114.58 115.95 1jdf h GLU 214 Ca 0.46 -0.02 -0.09 0.00 -0.00 0.00 0.00 59.36 59.70 1jdf h GLU 214 Cb 0.79 -0.08 0.01 0.00 -0.00 0.00 0.00 28.75 29.46 1jdf h GLU 214 CO -0.49 0.24 -0.36 1.49 -0.00 0.00 0.00 179.01 179.88 1jdf h GLU 215 N 0.37 0.22 -0.02 1.06 4.81 -0.99 -3.20 114.58 116.84 1jdf h GLU 215 Ca 0.13 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1jdf h GLU 215 Cb 0.06 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 1jdf h GLU 215 CO -0.03 1.00 0.02 0.93 -0.73 0.00 0.00 179.01 180.21 1jdf h GLU 216 N -0.44 0.00 -0.27 1.92 5.08 -1.02 -1.49 114.58 118.36 1jdf h GLU 216 Ca -0.05 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1jdf h GLU 216 Cb 1.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1jdf h GLU 216 CO 0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 179.01 178.05 1jdf h ALA 217 N 1.97 1.44 -0.20 3.43 0.00 -1.39 -2.42 119.26 122.08 1jdf h ALA 217 Ca 0.01 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1jdf h ALA 217 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1jdf h ALA 217 CO -0.00 0.39 -0.19 0.93 0.00 0.00 0.00 179.25 180.38 1jdf h GLU 218 N 0.40 0.35 -0.44 0.00 4.39 -1.37 -1.70 114.58 116.21 1jdf h GLU 218 Ca 0.09 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 1jdf h GLU 218 Cb 0.32 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1jdf h GLU 218 CO 0.01 0.53 0.03 0.77 -1.16 0.00 0.00 179.01 179.20 1jdf h SER 219 N 0.32 0.66 -0.29 1.42 0.02 -1.53 -0.40 113.55 113.74 1jdf h SER 219 Ca 0.06 -0.13 -0.15 0.00 -0.84 0.00 0.00 61.79 60.73 1jdf h SER 219 Cb 0.52 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1jdf h SER 219 CO 0.03 0.71 -0.36 0.40 -1.14 0.00 0.00 176.83 176.47 1jdf h ILE 220 N 0.66 1.28 -0.10 3.27 1.08 -1.31 -0.14 117.51 122.26 1jdf h ILE 220 Ca 0.14 -1.52 -0.01 0.00 -0.39 0.00 0.00 64.86 63.08 1jdf h ILE 220 Cb 0.36 1.38 -0.00 0.00 -3.07 0.00 0.00 36.82 35.49 1jdf h ILE 220 CO 0.01 0.50 0.04 0.58 -0.69 0.00 0.00 178.15 178.59 1jdf h VAL 221 N 0.68 1.14 -0.73 1.67 2.07 -0.85 0.12 116.25 120.36 1jdf h VAL 221 Ca 0.06 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.18 1jdf h VAL 221 Cb 0.92 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1jdf h VAL 221 CO 0.08 0.12 0.48 0.00 0.02 0.00 0.00 177.57 178.28 1jdf h ALA 222 N 0.89 0.93 -0.19 1.67 0.00 -0.98 -1.16 119.26 120.42 1jdf h ALA 222 Ca 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1jdf h ALA 222 Cb 0.16 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1jdf h ALA 222 CO -0.00 0.34 0.05 1.25 0.00 0.00 0.00 179.25 180.89 1jdf h LEU 223 N 0.98 0.28 -1.38 0.00 5.85 -0.80 -1.57 115.31 118.67 1jdf h LEU 223 Ca 0.27 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1jdf h LEU 223 Cb -0.10 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1jdf h LEU 223 CO -0.06 0.41 0.11 0.00 -0.34 0.00 0.00 178.44 178.56 1jdf h ALA 224 N 0.87 1.51 -0.35 1.25 0.00 -0.73 0.59 119.26 122.41 1jdf h ALA 224 Ca 0.06 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1jdf h ALA 224 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1jdf h ALA 224 CO -0.00 0.37 -0.08 1.96 0.00 0.00 0.00 179.25 181.50 1jdf h GLN 225 N 0.52 0.67 -0.42 0.00 4.20 -0.97 0.48 115.11 119.59 1jdf h GLN 225 Ca 0.12 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.47 1jdf h GLN 225 Cb 0.17 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1jdf h GLN 225 CO -0.01 0.83 -0.16 -0.09 -0.67 0.00 0.00 178.83 178.74 1jdf h ARG 226 N 0.46 0.84 -2.28 1.46 9.65 -0.75 -3.33 114.38 120.43 1jdf h ARG 226 Ca 0.09 -0.35 -0.60 0.00 -1.10 0.00 0.00 59.98 58.02 1jdf h ARG 226 Cb 0.58 -0.03 -0.42 0.00 -1.39 0.00 0.00 29.97 28.71 1jdf h ARG 226 CO 0.03 0.98 -0.61 1.19 2.80 0.00 0.00 179.97 184.37 1jdf n PHE 227 N -4.26 3.47 0.13 2.20 3.01 0.15 -4.95 117.46 117.22 1jdf n PHE 227 Ca -0.01 -4.15 0.06 0.00 1.01 0.00 0.00 57.45 54.36 1jdf n PHE 227 Cb 0.41 -0.56 0.33 0.00 -0.01 0.00 0.00 39.48 39.65 1jdf n PHE 227 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1jdf n PRO 228 N 0.98 0.08 -0.12 -1.08 -0.04 0.15 -1.71 135.00 133.26 1jdf n PRO 228 Ca 0.29 0.54 0.04 0.00 -0.04 0.00 0.00 63.50 64.32 1jdf n PRO 228 Cb 0.41 -1.97 0.10 0.00 -0.04 0.00 0.00 33.50 32.00 1jdf n PRO 228 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1jdf n GLN 229 N -1.94 2.73 -3.39 0.54 6.02 -1.26 -5.02 117.38 115.06 1jdf n GLN 229 Ca -0.01 -1.98 -0.33 0.00 -0.01 0.00 0.00 57.00 54.67 1jdf n GLN 229 Cb 0.23 -1.25 -0.06 0.00 1.02 0.00 0.00 30.24 30.18 1jdf n GLN 229 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jdf s ALA 230 N -1.45 3.56 -0.06 -1.58 0.00 -0.69 -4.96 121.76 116.57 1jdf s ALA 230 Ca 0.17 -0.21 -0.24 0.00 0.00 0.00 0.00 51.96 51.68 1jdf s ALA 230 Cb 0.12 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 1jdf s ALA 230 CO 0.07 0.48 0.72 1.03 0.00 0.00 0.00 175.76 178.06 1jdf s ARG 231 N -2.51 4.44 0.04 0.00 0.52 -1.26 -4.89 118.95 115.30 1jdf s ARG 231 Ca 0.44 0.92 0.02 0.00 -0.52 0.00 0.00 55.73 56.59 1jdf s ARG 231 Cb -0.13 -3.45 -0.02 0.00 0.52 0.00 0.00 34.95 31.87 1jdf s ARG 231 CO 0.20 0.05 -0.08 0.42 0.02 0.00 0.00 175.30 175.91 1jdf s ILE 232 N 0.84 0.57 0.08 1.52 1.01 -1.26 -1.41 121.20 122.55 1jdf s ILE 232 Ca 0.38 -1.11 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 1jdf s ILE 232 Cb -0.18 -0.66 -0.02 0.00 0.01 0.00 0.00 42.46 41.61 1jdf s ILE 232 CO 0.19 -0.39 0.09 0.28 0.00 0.00 0.00 174.94 175.11 1jdf s THR 233 N -1.43 0.17 -0.07 2.92 -1.32 -1.18 0.42 115.64 115.15 1jdf s THR 233 Ca -0.09 -1.51 0.04 0.00 -1.21 0.00 0.00 61.69 58.92 1jdf s THR 233 Cb -0.10 -1.48 0.00 0.00 -1.51 0.00 0.00 72.50 69.42 1jdf s THR 233 CO 0.00 -0.78 -0.18 -0.22 -2.21 0.00 0.00 174.62 171.24 1jdf s LEU 234 N -2.90 1.88 -0.35 9.08 2.96 -1.26 -1.84 118.68 126.25 1jdf s LEU 234 Ca 0.07 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.61 1jdf s LEU 234 Cb 0.06 -1.09 0.10 0.00 0.50 0.00 0.00 46.19 45.76 1jdf s LEU 234 CO -0.09 0.11 0.06 -0.62 -1.32 0.00 0.00 176.35 174.50 1jdf s ASP 235 N 0.37 4.77 0.00 3.68 3.68 -0.67 -3.64 116.67 124.87 1jdf s ASP 235 Ca -0.13 -2.19 0.17 0.00 2.13 0.00 0.00 52.55 52.52 1jdf s ASP 235 Cb -0.16 -1.64 0.54 0.00 -1.45 0.00 0.00 42.92 40.22 1jdf s ASP 235 CO 0.05 -0.38 1.41 -0.81 0.13 0.00 0.00 175.17 175.58 1jdf n PRO 236 N 4.22 1.84 -3.77 4.34 -0.04 -1.26 0.26 135.00 140.59 1jdf n PRO 236 Ca 0.04 -1.29 -0.25 0.00 -0.04 0.00 0.00 63.50 61.96 1jdf n PRO 236 Cb 0.42 -1.35 0.04 0.00 -0.04 0.00 0.00 33.50 32.56 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 0.52 -3.30 -0.13 3.54 4.13 -1.20 -2.20 115.26 116.62 1jdf n ASN 237 Ca 0.15 -0.76 -0.02 0.00 1.68 0.00 0.00 54.58 55.63 1jdf n ASN 237 Cb 0.34 -4.15 -0.01 0.00 -1.54 0.00 0.00 39.78 34.43 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 -1.65 0.37 0.28 7.41 0.00 0.32 -4.92 105.19 107.00 1jdf n GLY 238 Ca -0.12 -0.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 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 0.97 -2.49 4.61 0.00 -1.56 -3.20 119.26 117.60 1jdf h ALA 239 Ca -0.04 -0.32 -0.51 0.00 0.00 0.00 0.00 54.91 54.05 1jdf h ALA 239 Cb 0.61 -0.17 0.10 0.00 0.00 0.00 0.00 17.79 18.32 1jdf h ALA 239 CO 0.05 0.61 0.39 -1.58 0.00 0.00 0.00 179.25 178.72 1jdf s TRP 240 N -4.79 2.63 0.68 0.00 0.51 -1.23 -4.34 118.94 112.41 1jdf s TRP 240 Ca -0.09 1.55 -0.11 0.00 -2.12 0.00 0.00 56.10 55.32 1jdf s TRP 240 Cb 0.14 -3.20 0.00 0.00 -0.81 0.00 0.00 33.47 29.60 1jdf s TRP 240 CO 0.83 -1.67 1.07 -1.54 -0.51 0.00 0.00 176.95 175.13 1jdf s SER 241 N -2.40 5.62 0.21 2.95 1.04 -1.26 -4.25 113.70 115.61 1jdf s SER 241 Ca 0.68 1.28 -0.09 0.00 0.48 0.00 0.00 55.95 58.30 1jdf s SER 241 Cb -0.21 -2.16 0.25 0.00 0.10 0.00 0.00 66.02 64.00 1jdf s SER 241 CO 0.38 -1.25 1.79 0.25 0.98 0.00 0.00 173.24 175.40 1jdf h LEU 242 N -0.59 0.47 0.08 2.42 5.85 -1.92 0.29 115.31 121.92 1jdf h LEU 242 Ca -0.45 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1jdf h LEU 242 Cb 1.23 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1jdf h LEU 242 CO 0.62 0.29 -0.04 0.78 -0.34 0.00 0.00 178.44 179.76 1jdf h ASN 243 N 0.61 -0.09 0.71 1.25 -0.26 -1.99 -0.43 115.58 115.37 1jdf h ASN 243 Ca 0.30 -0.08 -0.06 0.00 -0.56 0.00 0.00 56.30 55.90 1jdf h ASN 243 Cb 0.24 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.52 1jdf h ASN 243 CO -0.21 0.02 -0.29 1.05 -1.06 0.00 0.00 177.43 176.94 1jdf h GLU 244 N -0.20 0.00 -0.25 0.81 4.11 -1.89 -1.78 114.58 115.38 1jdf h GLU 244 Ca -0.01 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.33 1jdf h GLU 244 Cb 0.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1jdf h GLU 244 CO 0.02 0.29 -0.21 0.00 0.07 0.00 0.00 179.01 179.18 1jdf h ALA 245 N 1.71 0.36 -0.87 1.06 0.00 -0.68 -1.11 119.26 119.73 1jdf h ALA 245 Ca -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1jdf h ALA 245 Cb 0.72 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1jdf h ALA 245 CO 0.04 0.30 0.46 0.82 0.00 0.00 0.00 179.25 180.87 1jdf h ILE 246 N 0.29 1.26 -0.37 0.00 2.04 -0.82 0.32 117.51 120.23 1jdf h ILE 246 Ca 0.04 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 1jdf h ILE 246 Cb 0.75 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1jdf h ILE 246 CO 0.05 0.30 0.17 0.50 0.00 0.00 0.00 178.15 179.17 1jdf h LYS 247 N 1.22 0.54 -0.08 2.37 3.64 -1.16 -0.56 116.57 122.54 1jdf h LYS 247 Ca 0.30 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1jdf h LYS 247 Cb 0.06 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1jdf h LYS 247 CO -0.05 0.49 -0.04 0.82 -2.27 0.00 0.00 179.45 178.41 1jdf h ILE 248 N 0.46 1.33 -0.82 2.00 2.04 -0.87 -2.20 117.51 119.45 1jdf h ILE 248 Ca 0.13 -1.06 0.07 0.00 1.00 0.00 0.00 64.86 64.99 1jdf h ILE 248 Cb 0.14 1.87 -0.06 0.00 -0.74 0.00 0.00 36.82 38.03 1jdf h ILE 248 CO -0.01 0.30 0.49 1.23 0.00 0.00 0.00 178.15 180.15 1jdf h GLY 249 N -0.21 1.24 1.06 5.37 0.00 -0.28 0.65 103.07 110.90 1jdf h GLY 249 Ca 0.02 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 1jdf h GLY 249 CO 0.01 0.21 -0.00 0.50 0.00 0.00 0.00 176.54 177.26 1jdf h LYS 250 N 0.87 1.02 -0.62 4.80 1.57 -1.08 -0.08 116.57 123.06 1jdf h LYS 250 Ca 0.37 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1jdf h LYS 250 Cb 0.23 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1jdf h LYS 250 CO -0.20 1.01 0.31 -0.92 -0.57 0.00 0.00 179.45 179.09 1jdf h TYR 251 N 0.91 0.88 -0.44 -1.35 5.03 -0.66 -2.53 116.97 118.82 1jdf h TYR 251 Ca 0.16 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.44 1jdf h TYR 251 Cb 0.56 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.56 1jdf h TYR 251 CO 0.04 0.66 0.00 1.28 -1.32 0.00 0.00 178.16 178.82 1jdf n LEU 252 N -4.52 2.95 -0.32 2.82 4.77 0.13 -4.58 117.00 118.25 1jdf n LEU 252 Ca 0.04 -1.48 0.20 0.00 -0.03 0.00 0.00 56.01 54.74 1jdf n LEU 252 Cb 0.11 -0.41 0.41 0.00 -2.33 0.00 0.00 43.42 41.20 1jdf n LEU 252 CO 0.38 0.58 1.05 0.50 -1.33 0.00 0.00 177.39 178.57 1jdf h LYS 253 N 2.66 0.27 -0.01 3.23 1.63 -0.55 0.96 116.57 124.77 1jdf h LYS 253 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1jdf h LYS 253 Cb 0.87 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 1jdf h LYS 253 CO 0.10 0.18 -0.15 0.41 -3.45 0.00 0.00 179.45 176.53 1jdf n GLY 254 N -1.32 -0.65 0.03 5.01 0.00 -1.26 -4.12 105.19 102.88 1jdf n GLY 254 Ca 0.28 -0.35 0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.64 1.84 -4.74 1.61 7.64 0.25 -4.99 113.62 114.58 1jdf n SER 255 Ca 0.15 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.65 1jdf n SER 255 Cb 0.31 1.26 -0.06 0.00 -1.01 0.00 0.00 64.21 64.71 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 -4.41 4.29 0.09 -3.43 1.43 -0.68 -4.39 118.68 111.58 1jdf s LEU 256 Ca -0.06 0.73 -0.02 0.00 -1.03 0.00 0.00 54.13 53.76 1jdf s LEU 256 Cb 0.07 -2.57 -0.24 0.00 0.03 0.00 0.00 46.19 43.47 1jdf s LEU 256 CO 0.55 0.08 1.19 0.00 0.23 0.00 0.00 176.35 178.40 1jdf h ALA 257 N 6.44 0.19 -2.87 4.21 0.00 -0.38 -3.47 119.26 123.37 1jdf h ALA 257 Ca -0.42 -0.87 0.08 0.00 0.00 0.00 0.00 54.91 53.70 1jdf h ALA 257 Cb 1.18 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1jdf h ALA 257 CO 0.74 1.01 0.28 1.52 0.00 0.00 0.00 179.25 182.79 1jdf s TYR 258 N -2.75 -0.22 -0.25 0.00 1.13 -1.22 -4.45 117.35 109.59 1jdf s TYR 258 Ca -0.03 -0.17 0.02 0.00 -1.41 0.00 0.00 57.07 55.47 1jdf s TYR 258 Cb 0.08 0.68 0.05 0.00 -1.10 0.00 0.00 41.96 41.67 1jdf s TYR 258 CO 0.87 -1.11 -0.11 0.00 -2.51 0.00 0.00 175.55 172.69 1jdf s ALA 259 N -3.78 2.56 -0.27 9.51 0.00 -0.07 -4.35 121.76 125.36 1jdf s ALA 259 Ca 0.10 -1.65 -0.23 0.00 0.00 0.00 0.00 51.96 50.18 1jdf s ALA 259 Cb -0.05 -1.56 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 1jdf s ALA 259 CO 0.04 -1.03 0.75 -2.00 0.00 0.00 0.00 175.76 173.51 1jdf s GLU 260 N 1.16 4.06 -1.08 0.00 2.12 -1.24 -1.22 118.70 122.50 1jdf s GLU 260 Ca -0.06 0.66 -0.28 0.00 0.36 0.00 0.00 54.97 55.66 1jdf s GLU 260 Cb -0.19 -3.68 0.04 0.00 0.26 0.00 0.00 34.13 30.56 1jdf s GLU 260 CO -0.06 -0.55 0.52 -0.25 -0.54 0.00 0.00 175.26 174.38 1jdf n ASP 261 N 5.99 -3.05 0.24 -1.70 8.00 -0.00 -4.07 116.55 121.97 1jdf n ASP 261 Ca 0.03 -1.14 0.11 0.00 0.71 0.00 0.00 54.79 54.50 1jdf n ASP 261 Cb 0.48 -1.36 0.59 0.00 -0.02 0.00 0.00 41.12 40.81 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 -1.85 0.00 -3.07 -0.24 0.13 -1.87 0.93 132.00 126.03 1jdf h PRO 262 Ca -0.62 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.55 1jdf h PRO 262 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1jdf h PRO 262 CO 0.47 0.18 0.20 0.00 -0.23 0.00 0.00 178.00 178.63 1jdf n GLY 264 N -0.47 4.36 3.67 0.00 0.00 -1.21 -4.56 105.19 106.98 1jdf n GLY 264 Ca -0.05 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 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 0.96 -3.64 4.61 0.00 -1.26 -4.63 120.51 113.55 1jdf n ALA 265 Ca 0.00 0.31 -0.02 0.00 0.00 0.00 0.00 53.44 53.72 1jdf n ALA 265 Cb 0.00 -2.21 -0.04 0.00 0.00 0.00 0.00 19.45 17.21 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 -1.99 0.08 -1.33 0.00 -1.05 -0.80 -4.92 118.70 108.69 1jdf s GLU 266 Ca 0.59 0.01 0.00 0.00 -0.15 0.00 0.00 54.97 55.42 1jdf s GLU 266 Cb -0.56 0.04 0.00 0.00 -0.44 0.00 0.00 34.13 33.17 1jdf s GLU 266 CO 0.60 -0.03 0.00 1.04 0.95 0.00 0.00 175.26 177.82 1jdf n GLN 267 N 0.41 -2.02 -0.36 -4.83 6.02 -1.26 -1.13 117.38 114.22 1jdf n GLN 267 Ca 0.01 0.75 0.00 0.00 -0.01 0.00 0.00 57.00 57.75 1jdf n GLN 267 Cb 0.58 -5.38 0.00 0.00 1.02 0.00 0.00 30.24 26.47 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 -0.88 1.08 3.89 1.08 0.00 -1.26 -5.04 105.19 104.06 1jdf n GLY 268 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.91 3.57 0.82 1.61 0.08 -0.28 -5.09 117.98 115.77 1jdf s PHE 269 Ca 0.00 0.52 -0.12 0.00 0.12 0.00 0.00 56.93 57.46 1jdf s PHE 269 Cb 0.00 -1.95 0.08 0.00 -0.57 0.00 0.00 43.02 40.58 1jdf s PHE 269 CO 0.00 0.62 1.11 -1.54 -0.10 0.00 0.00 175.22 175.31 1jdf s SER 270 N -1.77 4.33 0.48 1.36 1.04 -1.26 -1.90 113.70 115.97 1jdf s SER 270 Ca 0.28 1.19 0.14 0.00 0.48 0.00 0.00 55.95 58.04 1jdf s SER 270 Cb -0.13 -1.88 1.12 0.00 0.10 0.00 0.00 66.02 65.23 1jdf s SER 270 CO 0.17 -2.06 2.08 1.23 0.98 0.00 0.00 173.24 175.63 1jdf h GLY 271 N -1.15 0.06 1.36 7.32 0.00 -1.91 -1.38 103.07 107.36 1jdf h GLY 271 Ca -0.48 -0.03 -0.18 0.00 0.00 0.00 0.00 47.33 46.64 1jdf h GLY 271 CO 0.61 0.02 -0.63 3.21 0.00 0.00 0.00 176.54 179.75 1jdf h ARG 272 N 0.05 0.65 -0.27 4.80 3.08 -1.92 -1.04 114.38 119.74 1jdf h ARG 272 Ca 0.01 -0.46 -0.12 0.00 0.07 0.00 0.00 59.98 59.48 1jdf h ARG 272 Cb 0.13 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1jdf h ARG 272 CO 0.01 1.08 -0.31 0.93 -1.07 0.00 0.00 179.97 180.61 1jdf h GLU 273 N 0.48 0.69 -0.24 0.04 5.08 -1.75 -2.43 114.58 116.46 1jdf h GLU 273 Ca -0.01 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 57.93 1jdf h GLU 273 Cb 1.21 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1jdf h GLU 273 CO 0.12 0.99 -0.01 0.28 -1.00 0.00 0.00 179.01 179.39 1jdf h VAL 274 N 0.42 1.26 0.00 3.13 2.07 -1.27 -2.71 116.25 119.15 1jdf h VAL 274 Ca 0.04 -0.93 -0.06 0.00 0.82 0.00 0.00 66.70 66.57 1jdf h VAL 274 Cb 0.88 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1jdf h VAL 274 CO 0.07 0.29 -0.30 0.24 0.02 0.00 0.00 177.57 177.90 1jdf h MET 275 N 0.19 0.00 -0.63 1.57 2.86 -1.23 0.08 114.93 117.77 1jdf h MET 275 Ca 0.07 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 1jdf h MET 275 Cb 0.43 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1jdf h MET 275 CO 0.01 0.30 0.07 0.00 1.06 0.00 0.00 176.91 178.35 1jdf h ALA 276 N 1.70 0.84 -0.40 6.32 0.00 -1.34 0.88 119.26 127.26 1jdf h ALA 276 Ca -0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1jdf h ALA 276 Cb 0.58 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1jdf h ALA 276 CO 0.04 0.63 0.08 0.93 0.00 0.00 0.00 179.25 180.93 1jdf h GLU 277 N 0.98 0.66 -0.76 0.00 5.08 -0.98 -1.72 114.58 117.84 1jdf h GLU 277 Ca 0.19 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1jdf h GLU 277 Cb 0.48 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1jdf h GLU 277 CO 0.02 0.69 0.48 0.35 -1.00 0.00 0.00 179.01 179.55 1jdf h PHE 278 N 0.51 0.98 -0.35 4.33 3.04 -0.63 -1.30 116.94 123.52 1jdf h PHE 278 Ca 0.12 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.08 1jdf h PHE 278 Cb 0.34 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 38.51 1jdf h PHE 278 CO 0.02 0.64 0.21 -0.09 -2.02 0.00 0.00 178.31 177.07 1jdf h ARG 279 N 1.03 0.47 -0.01 1.11 2.43 -0.61 -1.74 114.38 117.07 1jdf h ARG 279 Ca 0.28 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.28 1jdf h ARG 279 Cb -0.08 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1jdf h ARG 279 CO -0.06 0.35 -0.59 -0.09 -1.51 0.00 0.00 179.97 178.07 1jdf h ARG 280 N 0.46 0.03 0.00 0.20 2.43 -1.07 -0.80 114.38 115.63 1jdf h ARG 280 Ca 0.13 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 59.10 1jdf h ARG 280 Cb -0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1jdf h ARG 280 CO -0.02 0.62 -0.84 0.00 -1.51 0.00 0.00 179.97 178.22 1jdf h ALA 281 N 1.38 0.60 0.00 2.80 0.00 -1.04 -3.36 119.26 119.63 1jdf h ALA 281 Ca -0.01 -0.76 -0.29 0.00 0.00 0.00 0.00 54.91 53.85 1jdf h ALA 281 Cb 1.06 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1jdf h ALA 281 CO 0.08 1.05 -2.19 0.25 0.00 0.00 0.00 179.25 178.43 1jdf n THR 282 N -3.52 1.08 -0.80 0.00 -2.24 -0.67 -4.99 114.28 103.15 1jdf n THR 282 Ca -0.00 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1jdf n THR 282 Cb 0.81 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 1.82 0.68 3.82 3.38 0.00 -0.31 -4.90 105.19 109.68 1jdf n GLY 283 Ca -0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 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 4.47 0.67 0.99 1.43 -1.25 -5.07 118.68 119.92 1jdf s LEU 284 Ca 0.00 1.05 -0.15 0.00 -1.03 0.00 0.00 54.13 54.00 1jdf s LEU 284 Cb 0.00 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.52 1jdf s LEU 284 CO 0.00 0.27 1.14 -2.84 0.23 0.00 0.00 176.35 175.15 1jdf s PRO 285 N -0.91 2.68 0.14 1.29 0.02 -1.26 -4.69 135.00 132.27 1jdf s PRO 285 Ca 0.26 1.51 0.11 0.00 0.02 0.00 0.00 61.00 62.89 1jdf s PRO 285 Cb -0.17 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 1jdf s PRO 285 CO 0.15 -1.36 -0.25 0.95 -0.33 0.00 0.00 177.00 176.15 1jdf s THR 286 N -2.19 2.18 0.13 0.99 -4.23 -1.26 -0.89 115.64 110.37 1jdf s THR 286 Ca 0.69 -1.78 0.05 0.00 -1.18 0.00 0.00 61.69 59.47 1jdf s THR 286 Cb -0.23 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 1jdf s THR 286 CO 0.41 0.02 -0.11 0.00 -0.54 0.00 0.00 174.62 174.40 1jdf s ALA 287 N -1.22 1.42 0.02 3.99 0.00 -0.36 -0.33 121.76 125.28 1jdf s ALA 287 Ca 0.14 -1.40 -0.27 0.00 0.00 0.00 0.00 51.96 50.43 1jdf s ALA 287 Cb -0.09 0.01 0.06 0.00 0.00 0.00 0.00 23.12 23.10 1jdf s ALA 287 CO 0.06 -0.04 0.61 -0.08 0.00 0.00 0.00 175.76 176.32 1jdf s THR 288 N -2.91 0.01 0.00 0.00 -1.32 -0.93 -0.82 115.64 109.67 1jdf s THR 288 Ca 0.13 -0.07 0.11 0.00 -1.21 0.00 0.00 61.69 60.65 1jdf s THR 288 Cb -0.00 -0.98 0.19 0.00 -1.51 0.00 0.00 72.50 70.20 1jdf s THR 288 CO 0.01 -0.04 1.07 -0.46 -2.21 0.00 0.00 174.62 172.99 1jdf n ASN 289 N 0.55 0.42 0.00 8.08 6.94 -1.26 -1.04 115.26 128.95 1jdf n ASN 289 Ca -0.19 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 52.39 1jdf n ASN 289 Cb 0.59 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.78 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 0.75 0.00 -3.83 2.81 -1.26 -4.88 117.12 110.92 1jdf n MET 290 Ca 0.02 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 55.99 1jdf n MET 290 Cb 0.89 -0.74 -0.07 0.00 -0.71 0.00 0.00 33.22 32.60 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 -1.67 0.00 -3.39 2.02 -5.35 -1.26 -4.63 119.36 105.08 1jdf n ILE 291 Ca 0.00 -0.17 -0.27 0.00 -0.27 0.00 0.00 62.75 62.04 1jdf n ILE 291 Cb 0.24 1.05 -0.10 0.00 -1.74 0.00 0.00 39.64 39.09 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 -1.04 2.84 0.24 -1.28 0.00 -1.26 -4.72 120.51 115.29 1jdf n ALA 292 Ca 0.04 -3.28 0.04 0.00 0.00 0.00 0.00 53.44 50.24 1jdf n ALA 292 Cb 0.28 -0.78 0.04 0.00 0.00 0.00 0.00 19.45 18.99 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 2.49 0.16 -3.91 0.00 -2.24 -1.26 -4.79 114.28 104.73 1jdf n THR 293 Ca 0.28 -0.58 -0.08 0.00 -2.27 0.00 0.00 64.05 61.39 1jdf n THR 293 Cb 0.48 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.67 -0.10 0.33 3.42 1.47 -1.26 -4.81 116.67 115.06 1jdf s ASP 294 Ca 0.10 -0.85 0.05 0.00 1.18 0.00 0.00 52.55 53.03 1jdf s ASP 294 Cb 0.06 0.70 0.59 0.00 -0.34 0.00 0.00 42.92 43.93 1jdf s ASP 294 CO 0.09 -1.33 1.84 -0.50 0.68 0.00 0.00 175.17 175.96 1jdf h TRP 295 N 2.09 0.48 -0.46 2.11 4.06 -1.98 -0.72 115.95 121.53 1jdf h TRP 295 Ca -0.24 -0.06 -0.01 0.00 2.06 0.00 0.00 58.89 60.64 1jdf h TRP 295 Cb 1.25 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 29.25 1jdf h TRP 295 CO 0.62 0.54 0.25 -0.09 -3.56 0.00 0.00 178.44 176.21 1jdf h ARG 296 N 0.43 0.64 -0.09 0.49 2.43 -2.00 -0.38 114.38 115.88 1jdf h ARG 296 Ca 0.08 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 1jdf h ARG 296 Cb 0.43 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1jdf h ARG 296 CO 0.02 0.50 -0.37 1.96 -1.51 0.00 0.00 179.97 180.57 1jdf h GLN 297 N 0.60 0.19 -0.55 0.20 4.20 -1.81 -2.95 115.11 114.99 1jdf h GLN 297 Ca 0.16 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.68 1jdf h GLN 297 Cb 0.05 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1jdf h GLN 297 CO -0.03 0.54 -0.07 1.98 -0.67 0.00 0.00 178.83 180.58 1jdf h MET 298 N 0.17 1.02 -0.21 1.46 4.05 -0.36 -1.43 114.93 119.62 1jdf h MET 298 Ca 0.02 -0.36 0.04 0.00 -0.28 0.00 0.00 59.70 59.11 1jdf h MET 298 Cb 0.74 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.43 1jdf h MET 298 CO 0.06 1.05 -0.03 0.78 0.23 0.00 0.00 176.91 179.00 1jdf h GLY 299 N 0.90 0.18 1.89 1.39 0.00 -0.92 0.56 103.07 107.07 1jdf h GLY 299 Ca 0.15 0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.42 1jdf h GLY 299 CO 0.04 -0.06 -0.44 0.45 0.00 0.00 0.00 176.54 176.53 1jdf h HIS 300 N 0.03 0.14 -0.61 5.60 -0.00 -1.52 -2.25 115.15 116.54 1jdf h HIS 300 Ca 0.10 -0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.41 1jdf h HIS 300 Cb 0.14 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.50 1jdf h HIS 300 CO -0.21 0.54 0.29 1.15 -0.00 0.00 0.00 177.93 179.70 1jdf h THR 301 N 0.10 1.21 -0.34 2.45 2.02 -0.52 -1.14 112.91 116.70 1jdf h THR 301 Ca 0.01 -0.61 -0.10 0.00 0.77 0.00 0.00 66.41 66.48 1jdf h THR 301 Cb 0.82 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1jdf h THR 301 CO 0.06 0.25 -0.19 -0.07 0.37 0.00 0.00 175.52 175.94 1jdf h LEU 302 N 0.83 0.64 -0.52 2.58 3.38 -0.57 0.55 115.31 122.19 1jdf h LEU 302 Ca 0.21 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1jdf h LEU 302 Cb 0.12 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1jdf h LEU 302 CO -0.03 0.83 -0.20 0.28 0.09 0.00 0.00 178.44 179.42 1jdf h SER 303 N 0.57 1.01 0.74 -0.43 0.02 -1.05 -3.09 113.55 111.32 1jdf h SER 303 Ca 0.09 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1jdf h SER 303 Cb 0.65 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1jdf h SER 303 CO 0.05 1.17 -0.58 0.18 -1.14 0.00 0.00 176.83 176.51 1jdf n LEU 304 N -4.12 0.60 -3.66 5.07 4.77 -0.46 -4.97 117.00 114.24 1jdf n LEU 304 Ca 0.00 0.16 -0.23 0.00 -0.03 0.00 0.00 56.01 55.92 1jdf n LEU 304 Cb 0.45 -0.21 0.04 0.00 -2.33 0.00 0.00 43.42 41.36 1jdf n LEU 304 CO 0.46 0.01 -0.06 0.00 -1.33 0.00 0.00 177.39 176.47 1jdf n GLN 305 N -1.89 -3.95 0.13 3.23 6.02 0.19 -4.82 117.38 116.29 1jdf n GLN 305 Ca 0.04 0.61 0.11 0.00 -0.01 0.00 0.00 57.00 57.75 1jdf n GLN 305 Cb 0.40 -5.04 0.03 0.00 1.02 0.00 0.00 30.24 26.65 1jdf n GLN 305 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1jdf h SER 306 N -1.79 0.00 -3.38 1.08 0.02 -1.70 -3.44 113.55 104.33 1jdf h SER 306 Ca -0.62 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 59.88 1jdf h SER 306 Cb 1.35 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 63.55 1jdf h SER 306 CO 0.54 0.05 -0.78 -0.69 -1.14 0.00 0.00 176.83 174.80 1jdf s VAL 307 N -3.29 0.71 -0.07 2.27 1.01 -1.26 -4.43 120.40 115.33 1jdf s VAL 307 Ca 0.01 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.84 1jdf s VAL 307 Cb 0.08 -0.73 -0.25 0.00 0.00 0.00 0.00 36.38 35.49 1jdf s VAL 307 CO 0.76 0.28 0.55 0.44 0.00 0.00 0.00 175.10 177.13 1jdf h ASP 308 N 7.44 0.21 -3.83 3.32 5.19 -1.59 -3.44 116.42 123.71 1jdf h ASP 308 Ca -0.33 -0.45 -0.63 0.00 -0.62 0.00 0.00 57.03 55.00 1jdf h ASP 308 Cb 1.15 -0.07 -0.40 0.00 0.18 0.00 0.00 39.33 40.19 1jdf h ASP 308 CO 0.43 1.40 -0.70 -0.63 -3.12 0.00 0.00 179.24 176.63 1jdf s ILE 309 N -2.58 2.05 -0.20 0.35 1.01 0.56 -1.18 121.20 121.20 1jdf s ILE 309 Ca -0.13 -2.59 -0.28 0.00 0.00 0.00 0.00 60.65 57.65 1jdf s ILE 309 Cb 0.07 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 40.07 1jdf s ILE 309 CO 0.80 -0.73 0.98 -2.16 0.00 0.00 0.00 174.94 173.84 1jdf s PRO 310 N 0.49 4.28 -1.12 2.79 0.04 -1.23 -2.20 135.00 138.05 1jdf s PRO 310 Ca 0.14 1.27 -0.18 0.00 0.04 0.00 0.00 61.00 62.28 1jdf s PRO 310 Cb -0.22 -3.62 0.12 0.00 0.04 0.00 0.00 34.50 30.82 1jdf s PRO 310 CO -0.06 -0.53 1.43 -0.51 0.04 0.00 0.00 177.00 177.37 1jdf s LEU 311 N 2.83 4.51 -1.38 -3.56 1.43 -0.21 -2.66 118.68 119.64 1jdf s LEU 311 Ca 0.43 -2.36 -0.16 0.00 -1.03 0.00 0.00 54.13 51.02 1jdf s LEU 311 Cb -0.16 -2.47 0.04 0.00 0.03 0.00 0.00 46.19 43.63 1jdf s LEU 311 CO 0.09 -1.06 2.07 0.00 0.23 0.00 0.00 176.35 177.68 1jdf n ALA 312 N 7.07 4.80 -1.65 4.21 0.00 -0.70 -3.84 120.51 130.40 1jdf n ALA 312 Ca 0.36 -3.84 -0.47 0.00 0.00 0.00 0.00 53.44 49.49 1jdf n ALA 312 Cb 0.47 -3.56 -0.04 0.00 0.00 0.00 0.00 19.45 16.31 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 6.98 3.46 0.30 0.00 4.64 -1.26 -4.59 116.55 126.08 1jdf n ASP 313 Ca 0.51 0.85 0.20 0.00 -1.38 0.00 0.00 54.79 54.97 1jdf n ASP 313 Cb 0.41 -1.41 1.09 0.00 -1.04 0.00 0.00 41.12 40.18 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 10.26 0.00 -0.61 -0.67 0.13 -1.83 -1.89 132.00 137.39 1jdf h PRO 314 Ca -0.46 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.58 1jdf h PRO 314 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1jdf h PRO 314 CO 0.95 0.00 0.04 0.45 -0.23 0.00 0.00 178.00 179.21 1jdf h HIS 315 N 0.00 1.12 -0.05 1.56 3.86 -1.87 0.59 115.15 120.36 1jdf h HIS 315 Ca 0.00 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1jdf h HIS 315 Cb 0.00 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.17 1jdf h HIS 315 CO 0.00 0.98 0.00 1.97 0.86 0.00 0.00 177.93 181.74 1jdf n PHE 316 N -4.19 0.04 0.18 2.45 -1.74 -0.98 -4.14 117.46 109.08 1jdf n PHE 316 Ca 0.03 -0.03 0.05 0.00 -0.56 0.00 0.00 57.45 56.94 1jdf n PHE 316 Cb 0.32 -0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.25 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 0.88 0.00 0.00 2.97 7.02 -0.75 -4.90 117.44 122.66 1jdf n TRP 317 Ca 0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.58 1jdf n TRP 317 Cb 0.40 -0.15 0.00 0.00 -2.42 0.00 0.00 31.31 29.14 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 -1.63 0.00 -0.08 -0.99 -2.24 0.20 -3.65 114.28 105.89 1jdf n THR 318 Ca -0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1jdf n THR 318 Cb 0.23 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.41 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 0.00 0.54 -0.03 -0.78 0.00 -1.90 0.35 114.93 113.12 1jdf h MET 319 Ca 0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 59.70 59.29 1jdf h MET 319 Cb 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 31.60 31.58 1jdf h MET 319 CO 0.00 0.83 -0.66 1.96 0.00 0.00 0.00 176.91 179.04 1jdf h GLN 320 N 0.25 0.11 -0.24 1.72 4.20 -1.93 -2.44 115.11 116.78 1jdf h GLN 320 Ca 0.05 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 1jdf h GLN 320 Cb 0.70 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 1jdf h GLN 320 CO 0.05 0.73 -0.14 0.78 -0.67 0.00 0.00 178.83 179.57 1jdf h GLY 321 N 1.75 0.56 1.06 3.46 0.00 -1.60 -1.68 103.07 106.62 1jdf h GLY 321 Ca -0.01 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 46.81 1jdf h GLY 321 CO 0.09 0.47 0.62 0.23 0.00 0.00 0.00 176.54 177.96 1jdf h SER 322 N 0.23 1.07 -0.22 0.19 0.87 -0.87 -1.68 113.55 113.14 1jdf h SER 322 Ca 0.05 -0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.48 1jdf h SER 322 Cb 0.65 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1jdf h SER 322 CO 0.04 0.77 -0.23 0.58 -0.53 0.00 0.00 176.83 177.46 1jdf h VAL 323 N 1.26 1.27 -0.29 2.23 2.07 -1.30 -1.46 116.25 120.03 1jdf h VAL 323 Ca 0.35 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 1jdf h VAL 323 Cb -0.13 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1jdf h VAL 323 CO -0.08 0.43 0.02 0.03 0.02 0.00 0.00 177.57 177.99 1jdf h ARG 324 N 0.60 0.43 -0.30 1.57 3.08 -0.43 0.18 114.38 119.51 1jdf h ARG 324 Ca 0.09 -0.08 -0.16 0.00 0.07 0.00 0.00 59.98 59.90 1jdf h ARG 324 Cb 0.71 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1jdf h ARG 324 CO 0.05 0.44 -0.44 0.28 -1.07 0.00 0.00 179.97 179.24 1jdf h VAL 325 N 0.42 1.29 -0.62 2.04 2.07 -0.86 -0.77 116.25 119.81 1jdf h VAL 325 Ca 0.10 -1.63 -0.04 0.00 0.82 0.00 0.00 66.70 65.95 1jdf h VAL 325 Cb 0.25 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 1jdf h VAL 325 CO 0.00 0.53 0.23 0.00 0.02 0.00 0.00 177.57 178.36 1jdf h ALA 326 N 0.89 0.80 -0.29 1.67 0.00 -0.19 0.14 119.26 122.28 1jdf h ALA 326 Ca 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1jdf h ALA 326 Cb 1.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1jdf h ALA 326 CO 0.10 0.43 0.12 1.96 0.00 0.00 0.00 179.25 181.86 1jdf h GLN 327 N 0.87 0.43 -0.85 0.00 4.20 -0.55 -1.94 115.11 117.26 1jdf h GLN 327 Ca 0.20 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1jdf h GLN 327 Cb 0.22 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 1jdf h GLN 327 CO -0.01 0.45 0.51 1.98 -0.67 0.00 0.00 178.83 181.08 1jdf h MET 328 N 0.32 1.16 -0.30 1.46 4.05 -0.73 -0.02 114.93 120.87 1jdf h MET 328 Ca 0.10 -0.10 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1jdf h MET 328 Cb 0.17 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 30.71 1jdf h MET 328 CO -0.01 0.81 0.17 0.00 0.23 0.00 0.00 176.91 178.11 1jdf h HIS 330 N 0.37 0.96 0.00 0.00 6.17 -0.87 0.16 115.15 121.94 1jdf h HIS 330 Ca 0.11 -0.05 -0.10 0.00 0.71 0.00 0.00 60.37 61.04 1jdf h HIS 330 Cb 0.05 -0.30 -0.01 0.00 2.52 0.00 0.00 27.41 29.67 1jdf h HIS 330 CO -0.03 0.72 -0.48 0.93 0.71 0.00 0.00 177.93 179.78 1jdf h GLU 331 N 0.92 0.00 -0.01 5.26 5.08 -0.72 -3.24 114.58 121.86 1jdf h GLU 331 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1jdf h GLU 331 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1jdf h GLU 331 CO -0.03 0.48 -0.34 1.19 -1.00 0.00 0.00 179.01 179.31 1jdf n PHE 332 N -3.67 0.00 -0.45 4.33 3.72 0.31 -4.99 117.46 116.72 1jdf n PHE 332 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1jdf n PHE 332 Cb 0.55 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 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 1.22 0.77 0.00 1.37 0.00 -0.07 -5.05 105.19 103.43 1jdf n GLY 333 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.78 0.99 4.77 0.38 -5.00 117.00 114.36 1jdf n LEU 334 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 1jdf n LEU 334 Cb 0.00 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 1jdf n LEU 334 CO 0.00 -0.47 -0.39 -0.89 -1.33 0.00 0.00 177.39 174.32 1jdf s THR 335 N -0.27 0.47 0.50 -5.08 2.01 -0.33 -4.40 115.64 108.54 1jdf s THR 335 Ca 0.00 -0.03 -0.19 0.00 0.31 0.00 0.00 61.69 61.78 1jdf s THR 335 Cb 0.00 -0.67 -0.08 0.00 0.01 0.00 0.00 72.50 71.77 1jdf s THR 335 CO 0.00 0.20 1.04 0.86 -0.69 0.00 0.00 174.62 176.02 1jdf s TRP 336 N 1.93 3.01 0.35 4.92 -0.00 -1.26 -3.56 118.94 124.32 1jdf s TRP 336 Ca 0.04 1.57 -0.07 0.00 -0.00 0.00 0.00 56.10 57.64 1jdf s TRP 336 Cb -0.13 -3.05 0.03 0.00 -0.00 0.00 0.00 33.47 30.32 1jdf s TRP 336 CO -0.06 -0.85 0.58 0.41 -0.00 0.00 0.00 176.95 177.02 1jdf n GLY 337 N -0.39 1.69 2.98 5.86 0.00 -1.09 -2.53 105.19 111.71 1jdf n GLY 337 Ca 0.09 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.99 -0.13 0.31 1.61 0.15 -1.26 -1.71 113.70 109.67 1jdf s SER 338 Ca 0.22 0.29 -0.02 0.00 0.70 0.00 0.00 55.95 57.13 1jdf s SER 338 Cb -0.02 0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 1jdf s SER 338 CO 0.16 -0.09 0.54 -2.28 1.20 0.00 0.00 173.24 172.78 1jdf s HIS 339 N 0.49 3.49 0.14 3.44 5.65 -1.25 -2.39 115.29 124.86 1jdf s HIS 339 Ca -0.03 0.51 -0.00 0.00 0.25 0.00 0.00 55.06 55.78 1jdf s HIS 339 Cb -0.05 -2.01 -0.04 0.00 -1.18 0.00 0.00 32.58 29.30 1jdf s HIS 339 CO -0.02 0.16 0.03 0.45 -0.65 0.00 0.00 174.74 174.70 1jdf s SER 340 N -3.53 0.65 0.06 9.88 0.15 -1.26 -4.37 113.70 115.29 1jdf s SER 340 Ca 0.42 -1.18 0.02 0.00 0.70 0.00 0.00 55.95 55.90 1jdf s SER 340 Cb -0.10 0.23 -0.03 0.00 -1.71 0.00 0.00 66.02 64.40 1jdf s SER 340 CO 0.33 -0.66 -0.06 -1.81 1.20 0.00 0.00 173.24 172.23 1jdf s ASP 341 N -3.09 0.89 0.03 5.45 1.01 -1.26 -4.93 116.67 114.77 1jdf s ASP 341 Ca 0.23 -0.77 -0.38 0.00 0.71 0.00 0.00 52.55 52.34 1jdf s ASP 341 Cb 0.07 0.08 -0.18 0.00 1.01 0.00 0.00 42.92 43.90 1jdf s ASP 341 CO 0.02 -0.35 1.29 0.59 0.21 0.00 0.00 175.17 176.93 1jdf n ASN 342 N 0.74 1.22 -3.98 0.27 4.13 -1.26 -4.63 115.26 111.75 1jdf n ASN 342 Ca -0.18 1.13 -0.10 0.00 1.68 0.00 0.00 54.58 57.11 1jdf n ASN 342 Cb 0.58 -1.11 -0.06 0.00 -1.54 0.00 0.00 39.78 37.65 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 0.57 0.62 0.03 3.10 -3.43 -1.26 -4.96 115.29 109.96 1jdf s HIS 343 Ca 0.87 -0.94 0.00 0.00 -0.80 0.00 0.00 55.06 54.20 1jdf s HIS 343 Cb -1.06 -0.02 0.01 0.00 -1.43 0.00 0.00 32.58 30.08 1jdf s HIS 343 CO 0.51 -0.92 0.04 1.19 -2.00 0.00 0.00 174.74 173.57 1jdf n PHE 344 N -0.37 -3.10 0.37 0.38 3.01 -1.26 -4.73 117.46 111.77 1jdf n PHE 344 Ca -0.00 -0.10 0.14 0.00 1.01 0.00 0.00 57.45 58.49 1jdf n PHE 344 Cb 0.63 -0.03 0.53 0.00 -0.01 0.00 0.00 39.48 40.59 1jdf n PHE 344 CO 0.00 0.00 0.00 0.38 1.01 0.00 0.00 176.76 178.15 1jdf h ASP 345 N -0.01 0.00 -0.12 4.37 -0.00 -1.95 -3.00 116.42 115.71 1jdf h ASP 345 Ca -0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 57.03 56.95 1jdf h ASP 345 Cb 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.39 1jdf h ASP 345 CO 0.02 0.00 -0.18 0.40 -0.00 0.00 0.00 179.24 179.48 1jdf h ILE 346 N 0.00 1.37 -0.80 4.15 2.04 -1.95 -2.24 117.51 120.07 1jdf h ILE 346 Ca 0.00 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.45 1jdf h ILE 346 Cb 0.50 1.99 -0.04 0.00 -0.74 0.00 0.00 36.82 38.53 1jdf h ILE 346 CO 0.00 0.41 0.44 0.28 0.00 0.00 0.00 178.15 179.28 1jdf h SER 347 N -0.07 1.00 -0.65 1.72 0.02 -1.85 0.04 113.55 113.76 1jdf h SER 347 Ca 0.01 -0.09 0.12 0.00 -0.84 0.00 0.00 61.79 60.98 1jdf h SER 347 Cb 0.73 -0.25 -0.09 0.00 0.14 0.00 0.00 62.40 62.94 1jdf h SER 347 CO 0.04 0.80 0.20 0.25 -1.14 0.00 0.00 176.83 176.99 1jdf h LEU 348 N 1.11 0.14 -0.41 5.07 5.85 -1.42 0.72 115.31 126.36 1jdf h LEU 348 Ca 0.28 0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.99 1jdf h LEU 348 Cb 0.03 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1jdf h LEU 348 CO -0.05 0.07 -0.17 0.00 -0.34 0.00 0.00 178.44 177.95 1jdf h ALA 349 N 1.48 0.58 0.16 1.25 0.00 -0.77 -1.99 119.26 119.97 1jdf h ALA 349 Ca 0.34 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1jdf h ALA 349 Cb 0.49 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1jdf h ALA 349 CO -0.38 0.52 -0.50 0.52 0.00 0.00 0.00 179.25 179.41 1jdf h MET 350 N 0.66 -0.73 0.00 0.00 2.86 0.10 -1.60 114.93 116.22 1jdf h MET 350 Ca 0.10 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1jdf h MET 350 Cb 0.72 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.55 1jdf h MET 350 CO 0.05 -0.49 0.00 0.27 1.06 0.00 0.00 176.91 177.81 1jdf h PHE 351 N -0.76 0.00 -0.37 -0.22 -0.00 -1.13 -2.42 116.94 112.04 1jdf h PHE 351 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 57.93 1jdf h PHE 351 Cb 0.76 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.69 1jdf h PHE 351 CO -0.41 0.00 0.10 1.15 -0.00 0.00 0.00 178.31 179.15 1jdf h THR 352 N 0.00 1.22 -0.03 0.88 2.02 -0.85 0.11 112.91 116.26 1jdf h THR 352 Ca 0.00 -0.74 -0.12 0.00 0.77 0.00 0.00 66.41 66.32 1jdf h THR 352 Cb 0.68 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1jdf h THR 352 CO 0.00 0.25 -0.55 0.45 0.37 0.00 0.00 175.52 176.04 1jdf h HIS 353 N 0.45 0.12 0.12 3.16 3.86 -1.11 -0.77 115.15 120.98 1jdf h HIS 353 Ca 0.12 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1jdf h HIS 353 Cb 0.28 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1jdf h HIS 353 CO 0.01 0.63 -0.06 0.28 0.86 0.00 0.00 177.93 179.65 1jdf h VAL 354 N 0.08 1.06 -0.15 2.45 2.07 -1.14 -2.83 116.25 117.78 1jdf h VAL 354 Ca -0.00 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.68 1jdf h VAL 354 Cb 1.00 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1jdf h VAL 354 CO 0.08 0.20 0.10 0.00 0.02 0.00 0.00 177.57 177.97 1jdf h ALA 355 N 0.22 1.97 0.00 1.67 0.00 -0.75 0.33 119.26 122.71 1jdf h ALA 355 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jdf h ALA 355 Cb 0.45 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1jdf h ALA 355 CO 0.03 0.02 -0.06 0.00 0.00 0.00 0.00 179.25 179.24 1jdf h ALA 356 N 1.92 1.13 -0.33 0.00 0.00 -0.95 -2.23 119.26 118.80 1jdf h ALA 356 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jdf h ALA 356 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1jdf h ALA 356 CO -0.01 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1jdf n ALA 357 N -2.18 2.41 -2.63 0.00 0.00 0.09 0.01 120.51 118.22 1jdf n ALA 357 Ca -0.01 -0.95 -0.42 0.00 0.00 0.00 0.00 53.44 52.05 1jdf n ALA 357 Cb 0.22 -0.80 -0.04 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.46 3.57 0.71 0.00 0.00 -0.84 -4.64 121.76 119.09 1jdf s ALA 358 Ca 0.35 -0.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.98 1jdf s ALA 358 Cb 0.21 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.95 1jdf s ALA 358 CO 0.29 -1.18 1.06 -1.25 0.00 0.00 0.00 175.76 174.69 1jdf s PRO 359 N 3.09 2.84 3.15 0.00 0.04 -1.26 -4.82 135.00 138.05 1jdf s PRO 359 Ca 0.37 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1jdf s PRO 359 Cb -0.14 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1jdf s PRO 359 CO 0.11 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.39 1jdf n GLY 360 N -1.91 0.09 3.67 0.56 0.00 -1.26 -4.73 105.19 101.61 1jdf n GLY 360 Ca 0.08 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 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 4.22 0.19 1.61 2.36 -1.26 -5.07 119.74 121.78 1jdf s LYS 361 Ca 0.00 0.47 0.11 0.00 -2.55 0.00 0.00 55.97 54.00 1jdf s LYS 361 Cb 0.00 -3.55 -0.04 0.00 -1.05 0.00 0.00 37.83 33.19 1jdf s LYS 361 CO 0.00 -0.13 -0.24 0.96 1.55 0.00 0.00 175.35 177.49 1jdf s ILE 362 N 1.57 2.35 0.66 5.43 -4.36 -1.26 -4.48 121.20 121.11 1jdf s ILE 362 Ca 0.26 -2.01 -0.08 0.00 -0.26 0.00 0.00 60.65 58.55 1jdf s ILE 362 Cb -0.16 -2.12 0.02 0.00 1.25 0.00 0.00 42.46 41.46 1jdf s ILE 362 CO 0.10 -0.10 1.00 0.28 0.24 0.00 0.00 174.94 176.46 1jdf s THR 363 N -1.63 3.36 0.27 8.37 -1.32 -1.05 -4.99 115.64 118.65 1jdf s THR 363 Ca 0.20 0.16 -0.31 0.00 -1.21 0.00 0.00 61.69 60.54 1jdf s THR 363 Cb -0.08 -3.39 -0.13 0.00 -1.51 0.00 0.00 72.50 67.39 1jdf s THR 363 CO 0.10 -0.46 1.47 0.00 -2.21 0.00 0.00 174.62 173.52 1jdf n ALA 364 N -2.82 1.67 -2.65 11.08 0.00 -1.26 -4.83 120.51 121.70 1jdf n ALA 364 Ca 0.06 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.47 1jdf n ALA 364 Cb 0.58 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 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 -0.10 4.74 0.41 0.00 -1.09 -0.39 -4.63 121.20 120.14 1jdf s ILE 365 Ca 0.66 1.99 -0.25 0.00 -2.23 0.00 0.00 60.65 60.81 1jdf s ILE 365 Cb -0.59 -4.27 -0.08 0.00 -1.58 0.00 0.00 42.46 35.94 1jdf s ILE 365 CO 0.50 0.16 1.23 -1.81 -1.23 0.00 0.00 174.94 173.79 1jdf s ASP 366 N 0.95 6.39 -0.28 3.58 1.11 -1.00 -1.49 116.67 125.92 1jdf s ASP 366 Ca 0.52 2.48 -0.24 0.00 0.18 0.00 0.00 52.55 55.50 1jdf s ASP 366 Cb -0.22 -2.62 0.12 0.00 1.07 0.00 0.00 42.92 41.27 1jdf s ASP 366 CO 0.28 -0.78 1.03 0.28 1.18 0.00 0.00 175.17 177.16 1jdf s THR 367 N -1.35 0.00 -1.31 -1.27 -1.32 -1.26 -4.51 115.64 104.61 1jdf s THR 367 Ca 0.58 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.30 1jdf s THR 367 Cb -0.34 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.71 1jdf s THR 367 CO 0.43 0.00 1.37 1.41 -2.21 0.00 0.00 174.62 175.62 1jdf n HIS 368 N 2.37 0.00 -0.30 9.09 8.25 -1.26 -4.32 115.22 129.04 1jdf n HIS 368 Ca -0.13 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.27 1jdf n HIS 368 Cb 0.56 -0.16 -0.04 0.00 1.12 0.00 0.00 29.99 31.47 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 -1.12 -0.22 -0.52 4.41 -0.00 -1.26 -0.18 117.44 118.54 1jdf n TRP 369 Ca 0.08 0.92 0.44 0.00 -0.00 0.00 0.00 57.50 58.94 1jdf n TRP 369 Cb 0.35 -0.62 0.78 0.00 -0.00 0.00 0.00 31.31 31.81 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 0.20 0.00 5.87 3.07 -1.94 1.49 117.51 126.20 1jdf h ILE 370 Ca 0.16 -0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.55 1jdf h ILE 370 Cb 0.34 0.19 -0.00 0.00 -0.27 0.00 0.00 36.82 37.08 1jdf h ILE 370 CO -0.71 0.00 -0.08 -0.50 -1.05 0.00 0.00 178.15 175.82 1jdf h TRP 371 N 0.01 0.00 0.00 0.16 4.06 -0.93 -3.30 115.95 115.95 1jdf h TRP 371 Ca 0.76 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.71 1jdf h TRP 371 Cb 3.01 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 31.17 1jdf h TRP 371 CO -0.00 0.08 -1.28 1.04 -3.56 0.00 0.00 178.44 174.72 1jdf n GLN 372 N -3.14 0.83 -1.88 0.49 3.00 0.46 -4.78 117.38 112.35 1jdf n GLN 372 Ca 0.02 -0.07 -0.39 0.00 -0.01 0.00 0.00 57.00 56.55 1jdf n GLN 372 Cb 0.48 -1.18 0.02 0.00 0.00 0.00 0.00 30.24 29.55 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 -2.54 3.55 0.00 -1.09 -6.30 0.18 -3.41 118.70 109.09 1jdf s GLU 373 Ca -0.02 2.24 0.00 0.00 -2.50 0.00 0.00 54.97 54.69 1jdf s GLU 373 Cb 0.06 -2.51 0.00 0.00 0.00 0.00 0.00 34.13 31.68 1jdf s GLU 373 CO 0.39 -0.86 0.00 0.41 0.02 0.00 0.00 175.26 175.22 1jdf n GLY 374 N 0.63 2.08 1.51 -1.50 0.00 -1.26 -4.72 105.19 101.93 1jdf n GLY 374 Ca 0.07 -0.69 0.10 0.00 0.00 0.00 0.00 46.02 45.50 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 2.34 4.45 -3.87 1.61 6.94 -1.26 -4.95 115.26 120.53 1jdf n ASN 375 Ca 0.00 -2.26 -0.11 0.00 -0.02 0.00 0.00 54.58 52.18 1jdf n ASN 375 Cb 0.00 -0.55 -0.11 0.00 -2.36 0.00 0.00 39.78 36.77 1jdf n ASN 375 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1jdf s GLN 376 N -1.51 0.39 -0.28 -3.83 -0.21 -1.22 -5.09 119.66 107.92 1jdf s GLN 376 Ca 0.51 -0.27 -0.31 0.00 0.02 0.00 0.00 55.36 55.31 1jdf s GLN 376 Cb 0.30 0.16 0.18 0.00 1.00 0.00 0.00 33.01 34.66 1jdf s GLN 376 CO 0.28 -0.09 1.35 -0.98 -2.12 0.00 0.00 175.29 173.73 1jdf s ARG 377 N -1.04 0.08 0.00 2.91 1.70 -1.26 -4.76 118.95 116.58 1jdf s ARG 377 Ca -0.11 0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.16 1jdf s ARG 377 Cb -0.06 0.04 0.00 0.00 -0.57 0.00 0.00 34.95 34.36 1jdf s ARG 377 CO 0.01 -0.03 0.14 1.28 -1.08 0.00 0.00 175.30 175.63 1jdf n LEU 378 N 0.43 0.29 -4.54 -1.89 4.77 -1.26 -4.76 117.00 110.04 1jdf n LEU 378 Ca 0.00 -0.58 -0.24 0.00 -0.03 0.00 0.00 56.01 55.16 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 0.07 0.07 -0.42 0.42 -1.33 0.00 0.00 177.39 176.21 1jdf s THR 379 N -0.59 2.72 0.26 -5.08 -4.23 -1.26 -0.48 115.64 106.98 1jdf s THR 379 Ca 0.00 -2.22 -0.01 0.00 -1.18 0.00 0.00 61.69 58.28 1jdf s THR 379 Cb 0.00 -2.52 0.09 0.00 1.34 0.00 0.00 72.50 71.41 1jdf s THR 379 CO 0.00 -0.36 1.73 0.11 -0.54 0.00 0.00 174.62 175.57 1jdf h LYS 380 N 2.11 0.71 -2.54 3.99 1.57 -1.31 -3.38 116.57 117.72 1jdf h LYS 380 Ca -0.42 -0.22 -0.60 0.00 -1.87 0.00 0.00 60.65 57.55 1jdf h LYS 380 Cb 1.26 -0.07 -0.39 0.00 0.08 0.00 0.00 32.23 33.11 1jdf h LYS 380 CO 0.62 0.79 -0.89 -1.21 -0.57 0.00 0.00 179.45 178.19 1jdf s GLU 381 N -4.81 1.15 0.30 3.15 2.02 -1.26 -5.10 118.70 114.15 1jdf s GLU 381 Ca -0.09 -2.24 -0.28 0.00 0.02 0.00 0.00 54.97 52.39 1jdf s GLU 381 Cb 0.14 -1.79 -0.14 0.00 0.10 0.00 0.00 34.13 32.45 1jdf s GLU 381 CO 0.81 -1.34 1.00 -2.30 0.02 0.00 0.00 175.26 173.44 1jdf n PRO 382 N 2.85 1.33 -0.73 0.39 -0.02 -1.26 -4.90 135.00 132.66 1jdf n PRO 382 Ca 0.25 0.47 -0.32 0.00 -2.02 0.00 0.00 63.50 61.89 1jdf n PRO 382 Cb 0.44 -1.85 0.16 0.00 -0.02 0.00 0.00 33.50 32.23 1jdf n PRO 382 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1jdf n PHE 383 N 0.13 0.58 -4.54 6.00 0.99 -1.26 -5.00 117.46 114.35 1jdf n PHE 383 Ca 0.10 0.38 -0.28 0.00 -0.00 0.00 0.00 57.45 57.65 1jdf n PHE 383 Cb 0.33 -1.98 -0.14 0.00 -1.00 0.00 0.00 39.48 36.69 1jdf n PHE 383 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1jdf s GLU 384 N -4.44 1.44 -0.35 -1.08 2.02 -1.26 -5.10 118.70 109.92 1jdf s GLU 384 Ca 0.66 -1.18 -0.12 0.00 0.02 0.00 0.00 54.97 54.35 1jdf s GLU 384 Cb -0.23 -1.74 -0.00 0.00 0.10 0.00 0.00 34.13 32.26 1jdf s GLU 384 CO 0.59 0.43 0.23 0.42 0.02 0.00 0.00 175.26 176.94 1jdf s ILE 385 N -0.97 5.03 -0.09 -1.63 1.01 -1.26 -4.27 121.20 119.02 1jdf s ILE 385 Ca 0.11 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 1jdf s ILE 385 Cb -0.10 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.74 1jdf s ILE 385 CO 0.04 -0.09 -0.04 -0.54 0.00 0.00 0.00 174.94 174.31 1jdf s LYS 386 N 1.67 1.11 -1.28 2.79 -0.14 -0.21 -4.63 119.74 119.05 1jdf s LYS 386 Ca 0.05 -0.09 0.00 0.00 -1.36 0.00 0.00 55.97 54.57 1jdf s LYS 386 Cb -0.18 -1.30 0.00 0.00 -1.68 0.00 0.00 37.83 34.67 1jdf s LYS 386 CO 0.09 -0.28 0.00 0.41 -0.76 0.00 0.00 175.35 174.81 1jdf n GLY 387 N 5.02 -0.16 3.31 -3.33 0.00 -0.24 -1.53 105.19 108.26 1jdf n GLY 387 Ca -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.02 0.67 3.63 -0.02 0.00 0.84 -4.70 105.19 104.59 1jdf n GLY 388 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 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 3.30 -0.10 0.99 1.43 -0.58 0.15 118.68 123.86 1jdf s LEU 389 Ca 0.00 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 1jdf s LEU 389 Cb 0.00 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.28 1jdf s LEU 389 CO 0.00 0.25 -0.21 -0.69 0.23 0.00 0.00 176.35 175.93 1jdf s VAL 390 N -1.11 1.89 0.27 -1.59 1.01 -0.39 -1.04 120.40 119.44 1jdf s VAL 390 Ca 0.20 -0.91 -0.28 0.00 0.00 0.00 0.00 61.98 60.99 1jdf s VAL 390 Cb -0.11 -1.65 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 1jdf s VAL 390 CO 0.11 0.52 0.93 -1.10 0.00 0.00 0.00 175.10 175.56 1jdf s GLN 391 N 0.52 4.71 -0.34 2.72 -1.52 -1.26 0.12 119.66 124.61 1jdf s GLN 391 Ca -0.15 1.39 -0.20 0.00 -1.95 0.00 0.00 55.36 54.45 1jdf s GLN 391 Cb -0.17 -3.06 -0.00 0.00 -0.22 0.00 0.00 33.01 29.56 1jdf s GLN 391 CO 0.05 0.41 0.61 0.08 -0.25 0.00 0.00 175.29 176.20 1jdf s VAL 392 N -1.38 4.93 0.30 1.09 1.01 0.58 -4.90 120.40 122.03 1jdf s VAL 392 Ca 0.45 0.61 -0.29 0.00 0.00 0.00 0.00 61.98 62.76 1jdf s VAL 392 Cb -0.22 -4.03 -0.13 0.00 0.00 0.00 0.00 36.38 31.99 1jdf s VAL 392 CO 0.28 -0.25 1.16 -2.65 0.00 0.00 0.00 175.10 173.65 1jdf n PRO 393 N 5.94 1.71 0.08 2.72 -0.02 -1.26 -4.89 135.00 139.28 1jdf n PRO 393 Ca -0.02 0.60 -0.01 0.00 -2.02 0.00 0.00 63.50 62.05 1jdf n PRO 393 Cb 0.49 -2.09 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 1jdf n PRO 393 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1jdf h GLU 394 N 2.49 0.00 -7.25 -0.52 4.57 -1.97 -3.46 114.58 108.44 1jdf h GLU 394 Ca -0.43 0.00 -0.50 0.00 -1.18 0.00 0.00 59.36 57.25 1jdf h GLU 394 Cb 1.31 0.00 0.19 0.00 -0.16 0.00 0.00 28.75 30.09 1jdf h GLU 394 CO 0.63 0.55 0.19 -1.59 -1.18 0.00 0.00 179.01 177.62 1jdf s LYS 395 N -2.87 0.74 0.69 1.92 -2.85 -1.26 -4.41 119.74 111.69 1jdf s LYS 395 Ca 0.01 1.36 -0.16 0.00 -1.00 0.00 0.00 55.97 56.17 1jdf s LYS 395 Cb 0.08 -1.71 0.02 0.00 -2.06 0.00 0.00 37.83 34.16 1jdf s LYS 395 CO 0.78 -2.76 1.23 -2.14 0.10 0.00 0.00 175.35 172.56 1jdf s PRO 396 N -4.64 2.37 4.42 1.78 0.02 -1.26 -3.67 135.00 134.01 1jdf s PRO 396 Ca 0.66 1.85 0.00 0.00 0.02 0.00 0.00 61.00 63.53 1jdf s PRO 396 Cb -0.23 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.44 1jdf s PRO 396 CO 0.59 -1.68 0.00 0.41 -0.33 0.00 0.00 177.00 175.99 1jdf n GLY 397 N 0.54 1.26 0.22 0.52 0.00 0.03 -2.96 105.19 104.82 1jdf n GLY 397 Ca 0.14 -0.67 0.14 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.21 0.99 3.38 -1.86 -0.94 115.31 116.66 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 0.02 0.00 0.09 0.00 0.00 40.66 40.77 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 0.67 0.38 3.22 0.83 0.00 -1.15 -4.91 105.19 104.24 1jdf n GLY 399 Ca 0.03 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.74 1.02 -0.18 1.61 -7.23 -1.26 -5.01 120.40 106.61 1jdf s VAL 400 Ca 0.09 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.27 1jdf s VAL 400 Cb -0.04 -1.76 0.04 0.00 0.56 0.00 0.00 36.38 35.17 1jdf s VAL 400 CO 0.11 -0.77 -0.11 -1.61 -0.31 0.00 0.00 175.10 172.42 1jdf s GLU 401 N -3.70 2.04 0.24 4.82 2.02 -1.26 -5.05 118.70 117.82 1jdf s GLU 401 Ca 0.14 -0.75 -0.30 0.00 0.02 0.00 0.00 54.97 54.09 1jdf s GLU 401 Cb 0.03 -2.31 -0.10 0.00 0.10 0.00 0.00 34.13 31.85 1jdf s GLU 401 CO -0.01 -0.38 1.42 -1.50 0.02 0.00 0.00 175.26 174.81 1jdf s ILE 402 N 1.44 2.76 -0.59 -1.63 1.10 -1.26 -0.88 121.20 122.13 1jdf s ILE 402 Ca 0.00 0.63 -0.05 0.00 -0.51 0.00 0.00 60.65 60.73 1jdf s ILE 402 Cb -0.15 -3.40 0.15 0.00 0.15 0.00 0.00 42.46 39.21 1jdf s ILE 402 CO -0.09 0.10 0.42 -0.62 -2.11 0.00 0.00 174.94 172.64 1jdf s ASP 403 N 0.38 5.45 0.60 4.50 3.68 0.37 -4.76 116.67 126.89 1jdf s ASP 403 Ca 0.59 -2.60 0.30 0.00 2.13 0.00 0.00 52.55 52.97 1jdf s ASP 403 Cb -0.41 -1.90 1.64 0.00 -1.45 0.00 0.00 42.92 40.80 1jdf s ASP 403 CO 0.42 -0.46 2.03 0.24 0.13 0.00 0.00 175.17 177.54 1jdf h MET 404 N 7.43 0.00 -0.18 4.34 2.86 -1.93 -0.66 114.93 126.79 1jdf h MET 404 Ca -0.04 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.46 1jdf h MET 404 Cb 0.99 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.65 1jdf h MET 404 CO 0.73 0.00 -0.43 -0.44 1.06 0.00 0.00 176.91 177.83 1jdf h ASP 405 N 0.00 0.69 -0.60 1.22 3.32 -1.95 -1.09 116.42 118.01 1jdf h ASP 405 Ca 0.11 -0.57 -0.08 0.00 0.02 0.00 0.00 57.03 56.51 1jdf h ASP 405 Cb 0.68 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 1jdf h ASP 405 CO -0.00 1.13 0.08 1.56 -1.72 0.00 0.00 179.24 180.29 1jdf h GLN 406 N 0.28 1.03 0.45 3.56 1.08 -1.49 -2.37 115.11 117.66 1jdf h GLN 406 Ca -0.00 -0.27 -0.02 0.00 -1.45 0.00 0.00 58.65 56.90 1jdf h GLN 406 Cb 1.04 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 1jdf h GLN 406 CO 0.09 0.96 -0.22 0.28 -0.95 0.00 0.00 178.83 178.99 1jdf h VAL 407 N 0.96 0.55 -0.27 -0.54 2.07 -1.13 -1.68 116.25 116.21 1jdf h VAL 407 Ca 0.19 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1jdf h VAL 407 Cb 0.44 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1jdf h VAL 407 CO 0.01 0.02 0.18 0.24 0.02 0.00 0.00 177.57 178.05 1jdf h MET 408 N -0.67 0.32 -0.34 1.57 2.86 -1.16 0.26 114.93 117.77 1jdf h MET 408 Ca -0.06 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1jdf h MET 408 Cb 0.50 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1jdf h MET 408 CO 0.10 0.21 0.04 0.87 1.06 0.00 0.00 176.91 179.20 1jdf h LYS 409 N 0.33 0.57 -0.47 1.72 1.57 -1.19 0.17 116.57 119.26 1jdf h LYS 409 Ca 0.11 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 1jdf h LYS 409 Cb 0.02 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1jdf h LYS 409 CO -0.02 0.66 -0.03 0.00 -0.57 0.00 0.00 179.45 179.49 1jdf h ALA 410 N 0.89 1.07 -0.27 3.86 0.00 -0.23 -0.92 119.26 123.66 1jdf h ALA 410 Ca 0.10 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1jdf h ALA 410 Cb 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1jdf h ALA 410 CO 0.01 0.58 -0.33 1.25 0.00 0.00 0.00 179.25 180.76 1jdf h HIS 411 N 0.74 0.66 -0.24 0.00 -0.00 -0.24 -1.53 115.15 114.54 1jdf h HIS 411 Ca 0.14 -0.17 -0.14 0.00 -0.00 0.00 0.00 60.37 60.20 1jdf h HIS 411 Cb 0.49 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.74 1jdf h HIS 411 CO 0.03 0.83 -0.44 0.93 -0.00 0.00 0.00 177.93 179.27 1jdf h GLU 412 N 0.49 0.60 -0.50 5.26 5.08 -0.28 -1.02 114.58 124.20 1jdf h GLU 412 Ca 0.06 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 58.03 1jdf h GLU 412 Cb 0.81 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1jdf h GLU 412 CO 0.07 0.92 0.05 1.25 -1.00 0.00 0.00 179.01 180.30 1jdf h LEU 413 N 0.48 0.75 -0.19 1.33 5.85 -0.94 0.46 115.31 123.06 1jdf h LEU 413 Ca 0.03 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 1jdf h LEU 413 Cb 0.96 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1jdf h LEU 413 CO 0.09 0.78 -0.05 0.22 -0.34 0.00 0.00 178.44 179.14 1jdf h TYR 414 N 0.75 0.41 -0.26 1.25 5.03 -1.06 -2.66 116.97 120.43 1jdf h TYR 414 Ca 0.16 -0.09 -0.07 0.00 2.58 0.00 0.00 58.73 61.31 1jdf h TYR 414 Cb 0.38 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 1jdf h TYR 414 CO 0.02 0.63 -0.10 1.96 -1.32 0.00 0.00 178.16 179.35 1jdf h GLN 415 N 0.08 0.53 -0.31 1.82 1.08 -0.91 -0.44 115.11 116.96 1jdf h GLN 415 Ca 0.05 -0.22 0.07 0.00 -1.45 0.00 0.00 58.65 57.10 1jdf h GLN 415 Cb 0.50 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.84 1jdf h GLN 415 CO 0.02 0.77 -0.17 -0.22 -0.95 0.00 0.00 178.83 178.28 1jdf h LYS 416 N 0.27 -0.13 -0.01 1.46 3.64 -0.08 -1.53 116.57 120.18 1jdf h LYS 416 Ca 0.06 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1jdf h LYS 416 Cb 0.59 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1jdf h LYS 416 CO 0.03 -0.09 -0.04 0.72 -2.27 0.00 0.00 179.45 177.80 1jdf n HIS 417 N -5.34 0.00 -3.75 1.91 8.25 -1.01 -4.96 115.22 110.33 1jdf n HIS 417 Ca 0.01 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 1jdf n HIS 417 Cb 0.26 -0.03 0.02 0.00 1.12 0.00 0.00 29.99 31.36 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 1.19 -0.57 3.97 -1.41 0.00 -0.24 -4.98 105.19 103.14 1jdf n GLY 418 Ca 0.18 0.28 -0.27 0.00 0.00 0.00 0.00 46.02 46.21 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 -6.63 2.84 0.00 0.99 1.43 -0.79 -5.04 118.68 111.48 1jdf s LEU 419 Ca 0.20 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 1jdf s LEU 419 Cb -0.07 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.13 1jdf s LEU 419 CO 0.85 -2.40 0.00 0.61 0.23 0.00 0.00 176.35 175.64 1jdf n GLY 420 N -3.36 2.21 3.68 -3.19 0.00 -1.26 -4.94 105.19 98.33 1jdf n GLY 420 Ca 0.16 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1jdf n GLY 420 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdf n ALA 421 N -3.00 0.76 -1.77 4.61 0.00 -1.26 -4.14 120.51 115.72 1jdf n ALA 421 Ca 0.00 0.03 -0.40 0.00 0.00 0.00 0.00 53.44 53.07 1jdf n ALA 421 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.22 1jdf n ALA 421 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1jdf s ARG 422 N -3.00 3.91 -0.31 0.00 3.52 -1.26 -4.94 118.95 116.87 1jdf s ARG 422 Ca 0.78 2.36 0.03 0.00 -0.13 0.00 0.00 55.73 58.77 1jdf s ARG 422 Cb -0.41 -2.79 0.17 0.00 -1.56 0.00 0.00 34.95 30.36 1jdf s ARG 422 CO 0.45 -0.61 0.45 0.34 -0.81 0.00 0.00 175.30 175.12 1jdf s ASP 423 N -0.50 0.02 0.00 -2.12 2.15 -1.26 -5.01 116.67 109.95 1jdf s ASP 423 Ca 0.57 -0.49 0.29 0.00 0.43 0.00 0.00 52.55 53.34 1jdf s ASP 423 Cb -0.42 1.25 1.36 0.00 -0.30 0.00 0.00 42.92 44.81 1jdf s ASP 423 CO 0.55 -0.32 1.96 0.47 -0.17 0.00 0.00 175.17 177.67 1jdf n ASP 424 N 5.14 0.00 0.16 -0.34 10.43 -1.26 -3.21 116.55 127.46 1jdf n ASP 424 Ca 0.04 0.12 0.02 0.00 2.57 0.00 0.00 54.79 57.53 1jdf n ASP 424 Cb 0.50 -0.37 0.23 0.00 1.84 0.00 0.00 41.12 43.33 1jdf n ASP 424 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1jdf h ALA 425 N 3.21 0.98 0.28 2.24 0.00 -1.80 -1.12 119.26 123.04 1jdf h ALA 425 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1jdf h ALA 425 Cb 0.36 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1jdf h ALA 425 CO 0.00 0.65 -0.49 1.98 0.00 0.00 0.00 179.25 181.39 1jdf h MET 426 N 0.00 -0.80 -0.67 0.00 -1.53 -1.85 -2.92 114.93 107.16 1jdf h MET 426 Ca -0.01 0.05 0.01 0.00 -3.44 0.00 0.00 59.70 56.32 1jdf h MET 426 Cb 1.02 0.18 -0.04 0.00 -0.55 0.00 0.00 31.60 32.22 1jdf h MET 426 CO 0.07 -0.53 0.44 0.78 0.14 0.00 0.00 176.91 177.80 1jdf h GLY 427 N -0.83 0.95 0.96 1.39 0.00 -1.75 -2.54 103.07 101.25 1jdf h GLY 427 Ca -0.02 -0.34 0.12 0.00 0.00 0.00 0.00 47.33 47.09 1jdf h GLY 427 CO -0.18 0.32 0.40 -0.33 0.00 0.00 0.00 176.54 176.75 1jdf h MET 428 N 0.88 0.00 -0.42 4.80 2.86 -1.58 -0.94 114.93 120.53 1jdf h MET 428 Ca 0.25 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.96 1jdf h MET 428 Cb -0.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1jdf h MET 428 CO -0.07 0.00 0.28 1.96 1.06 0.00 0.00 176.91 180.15 1jdf h GLN 429 N 0.00 0.28 0.00 1.72 1.08 -1.27 0.38 115.11 117.29 1jdf h GLN 429 Ca 0.19 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 1jdf h GLN 429 Cb 1.00 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.37 1jdf h GLN 429 CO -0.00 0.18 -0.11 1.88 -0.95 0.00 0.00 178.83 179.83 1jdf h TYR 430 N 0.28 0.00 0.02 2.96 -1.99 -1.34 -2.82 116.97 114.08 1jdf h TYR 430 Ca 0.19 0.00 -0.38 0.00 2.00 0.00 0.00 58.73 60.54 1jdf h TYR 430 Cb 0.37 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.05 1jdf h TYR 430 CO -0.00 0.00 -2.13 1.28 -0.00 0.00 0.00 178.16 177.31 1jdf n LEU 431 N -2.60 2.26 -3.66 3.88 4.77 -0.33 -4.81 117.00 116.52 1jdf n LEU 431 Ca 0.04 0.24 -0.29 0.00 -0.03 0.00 0.00 56.01 55.97 1jdf n LEU 431 Cb 0.48 -0.92 -0.14 0.00 -2.33 0.00 0.00 43.42 40.50 1jdf n LEU 431 CO 0.33 0.62 -0.30 -0.63 -1.33 0.00 0.00 177.39 176.08 1jdf s ILE 432 N -2.48 0.78 0.09 -0.08 1.01 0.12 -5.11 121.20 115.53 1jdf s ILE 432 Ca -0.33 -1.71 -0.36 0.00 0.00 0.00 0.00 60.65 58.25 1jdf s ILE 432 Cb 0.10 -1.58 -0.16 0.00 0.01 0.00 0.00 42.46 40.83 1jdf s ILE 432 CO 0.58 -0.80 1.39 -2.65 0.00 0.00 0.00 174.94 173.46 1jdf n PRO 433 N 4.38 1.30 -0.99 2.79 -0.02 -1.06 -0.58 135.00 140.82 1jdf n PRO 433 Ca 0.03 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1jdf n PRO 433 Cb 0.39 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 2.70 0.71 3.58 -1.23 0.00 -1.26 -4.98 105.19 104.71 1jdf n GLY 434 Ca 0.18 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.47 1.31 -4.30 1.61 -0.00 0.25 -4.99 117.44 108.84 1jdf n TRP 435 Ca 0.00 0.68 -0.19 0.00 -0.00 0.00 0.00 57.50 57.98 1jdf n TRP 435 Cb 0.01 -2.28 -0.11 0.00 -0.00 0.00 0.00 31.31 28.93 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 -0.21 1.59 0.20 5.87 -4.23 -1.26 -4.87 115.64 112.73 1jdf s THR 436 Ca 0.73 -1.92 -0.30 0.00 -1.18 0.00 0.00 61.69 59.02 1jdf s THR 436 Cb -0.85 -1.78 -0.08 0.00 1.34 0.00 0.00 72.50 71.14 1jdf s THR 436 CO 0.52 -0.44 1.16 0.12 -0.54 0.00 0.00 174.62 175.44 1jdf s PHE 437 N -2.36 3.49 -0.25 3.99 5.36 -1.26 -5.03 117.98 121.92 1jdf s PHE 437 Ca 0.15 1.52 -0.04 0.00 -0.96 0.00 0.00 56.93 57.59 1jdf s PHE 437 Cb -0.04 -3.37 0.09 0.00 -0.34 0.00 0.00 43.02 39.36 1jdf s PHE 437 CO 0.05 -0.95 0.11 0.34 -1.46 0.00 0.00 175.22 173.32 1jdf s ASP 438 N -0.10 3.12 0.00 6.13 3.68 -1.26 -5.01 116.67 123.23 1jdf s ASP 438 Ca 0.50 -1.05 0.08 0.00 2.13 0.00 0.00 52.55 54.21 1jdf s ASP 438 Cb -0.32 -0.33 0.47 0.00 -1.45 0.00 0.00 42.92 41.30 1jdf s ASP 438 CO 0.37 -0.41 0.90 -0.46 0.13 0.00 0.00 175.17 175.71 1jdf n ASN 439 N 5.25 0.00 -0.69 -0.34 6.94 -1.26 -1.91 115.26 123.25 1jdf n ASN 439 Ca -0.06 -0.31 0.05 0.00 -0.02 0.00 0.00 54.58 54.24 1jdf n ASN 439 Cb 0.45 0.00 0.10 0.00 -2.36 0.00 0.00 39.78 37.97 1jdf n ASN 439 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1jdf n LYS 440 N -0.95 0.78 -3.45 -3.83 4.76 -1.26 -3.94 118.16 110.27 1jdf n LYS 440 Ca 0.06 -2.32 -0.05 0.00 -2.87 0.00 0.00 58.31 53.13 1jdf n LYS 440 Cb 0.03 -0.94 -0.06 0.00 -1.84 0.00 0.00 35.03 32.21 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 -1.65 0.43 0.16 1.97 3.52 -0.80 -4.81 118.95 117.76 1jdf s ARG 441 Ca 0.28 0.95 -0.31 0.00 -0.13 0.00 0.00 55.73 56.51 1jdf s ARG 441 Cb 0.28 0.23 -0.17 0.00 -1.56 0.00 0.00 34.95 33.72 1jdf s ARG 441 CO -0.06 -0.45 0.76 -2.30 -0.81 0.00 0.00 175.30 172.45 1jdf n PRO 442 N 5.40 0.24 -0.34 5.12 -0.02 -1.26 -4.64 135.00 139.51 1jdf n PRO 442 Ca -0.06 0.08 0.18 0.00 -2.02 0.00 0.00 63.50 61.68 1jdf n PRO 442 Cb 0.50 -1.29 0.41 0.00 -0.02 0.00 0.00 33.50 33.10 1jdf n PRO 442 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jdf n MET 444 N -4.76 0.18 -2.69 0.00 2.81 -0.35 -4.60 117.12 107.71 1jdf n MET 444 Ca 0.25 0.09 -0.42 0.00 -1.81 0.00 0.00 57.70 55.81 1jdf n MET 444 Cb 0.73 -1.65 -0.03 0.00 -0.71 0.00 0.00 33.22 31.56 1jdf n MET 444 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1jdf s VAL 445 N -3.09 4.20 0.00 2.03 1.01 -0.42 -5.04 120.40 119.09 1jdf s VAL 445 Ca 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1jdf s VAL 445 Cb 0.15 -4.96 0.00 0.00 0.00 0.00 0.00 36.38 31.57 1jdf s VAL 445 CO 0.64 -1.78 0.00 0.54 0.00 0.00 0.00 175.10 174.50