#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 2.43 -0.08 4.37 -1.32 -1.26 -5.05 115.64 114.73 1jdf s THR 6 Ca 0.00 0.14 0.05 0.00 -1.21 0.00 0.00 61.69 60.67 1jdf s THR 6 Cb 0.00 -2.49 -0.01 0.00 -1.51 0.00 0.00 72.50 68.49 1jdf s THR 6 CO 0.00 -0.18 -0.24 0.42 -2.21 0.00 0.00 174.62 172.41 1jdf s THR 7 N -2.82 2.10 0.87 5.08 -4.23 -1.26 -5.13 115.64 110.26 1jdf s THR 7 Ca 0.65 -1.03 -0.14 0.00 -1.18 0.00 0.00 61.69 59.99 1jdf s THR 7 Cb -0.20 -1.78 0.02 0.00 1.34 0.00 0.00 72.50 71.88 1jdf s THR 7 CO 0.58 0.57 0.52 -2.65 -0.54 0.00 0.00 174.62 173.10 1jdf n PRO 8 N 3.18 -0.07 -4.48 3.99 -0.02 -1.26 -4.86 135.00 131.48 1jdf n PRO 8 Ca -0.18 0.03 -0.23 0.00 -2.02 0.00 0.00 63.50 61.10 1jdf n PRO 8 Cb 0.52 -1.90 -0.16 0.00 -0.02 0.00 0.00 33.50 31.94 1jdf n PRO 8 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jdf s VAL 9 N -2.22 0.98 -0.05 -1.45 1.01 -1.26 -2.50 120.40 114.90 1jdf s VAL 9 Ca 0.61 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1jdf s VAL 9 Cb -0.26 -0.91 -0.08 0.00 0.00 0.00 0.00 36.38 35.13 1jdf s VAL 9 CO 0.63 0.32 2.05 0.52 0.00 0.00 0.00 175.10 178.62 1jdf n VAL 10 N 3.82 0.63 0.01 2.92 0.31 0.90 -0.52 118.33 126.39 1jdf n VAL 10 Ca -0.23 -0.24 -0.05 0.00 -0.01 0.00 0.00 64.34 63.81 1jdf n VAL 10 Cb 0.52 -2.37 -0.11 0.00 -0.91 0.00 0.00 33.84 30.97 1jdf n VAL 10 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1jdf h THR 11 N 6.11 0.78 -2.32 2.52 1.35 -0.98 0.69 112.91 121.05 1jdf h THR 11 Ca -0.47 -2.48 0.08 0.00 -0.55 0.00 0.00 66.41 63.00 1jdf h THR 11 Cb 1.24 2.31 -0.15 0.00 -1.73 0.00 0.00 68.15 69.82 1jdf h THR 11 CO 0.95 0.44 0.45 -1.83 -0.25 0.00 0.00 175.52 175.28 1jdf s GLU 12 N -2.73 0.88 -0.05 4.72 -1.05 -1.20 -4.82 118.70 114.45 1jdf s GLU 12 Ca -0.03 -0.27 -0.05 0.00 -0.15 0.00 0.00 54.97 54.47 1jdf s GLU 12 Cb 0.08 0.40 0.01 0.00 -0.44 0.00 0.00 34.13 34.19 1jdf s GLU 12 CO 0.82 -0.37 0.13 1.41 0.95 0.00 0.00 175.26 178.19 1jdf s MET 13 N -2.99 0.17 0.00 -4.83 1.75 -1.26 -1.81 119.30 110.32 1jdf s MET 13 Ca 0.03 0.16 -0.04 0.00 -1.25 0.00 0.00 55.69 54.59 1jdf s MET 13 Cb -0.01 0.08 -0.00 0.00 2.84 0.00 0.00 34.83 37.74 1jdf s MET 13 CO -0.08 -0.02 0.07 -1.14 -0.65 0.00 0.00 175.02 173.20 1jdf s GLN 14 N 0.01 0.34 -0.10 4.11 0.74 -0.47 -5.02 119.66 119.27 1jdf s GLN 14 Ca -0.01 -0.35 0.03 0.00 0.05 0.00 0.00 55.36 55.08 1jdf s GLN 14 Cb -0.01 0.14 0.01 0.00 1.10 0.00 0.00 33.01 34.24 1jdf s GLN 14 CO 0.00 -0.07 -0.19 0.54 -0.55 0.00 0.00 175.29 175.02 1jdf s VAL 15 N -1.10 1.74 -0.17 1.34 0.11 -1.26 -1.45 120.40 119.61 1jdf s VAL 15 Ca -0.12 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.12 1jdf s VAL 15 Cb -0.07 -1.54 0.03 0.00 -1.53 0.00 0.00 36.38 33.27 1jdf s VAL 15 CO 0.00 0.49 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.52 1jdf s ILE 16 N 0.67 1.53 0.04 7.04 1.01 0.18 -4.95 121.20 126.73 1jdf s ILE 16 Ca -0.12 -0.80 -0.30 0.00 0.00 0.00 0.00 60.65 59.43 1jdf s ILE 16 Cb -0.16 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 1jdf s ILE 16 CO 0.03 0.28 1.06 -2.16 0.00 0.00 0.00 174.94 174.15 1jdf s PRO 17 N 1.47 4.53 0.24 2.79 0.04 -1.26 -0.70 135.00 142.11 1jdf s PRO 17 Ca 0.02 1.56 0.04 0.00 0.04 0.00 0.00 61.00 62.66 1jdf s PRO 17 Cb -0.15 -3.40 -0.05 0.00 0.04 0.00 0.00 34.50 30.94 1jdf s PRO 17 CO -0.09 -0.09 -0.03 0.14 0.04 0.00 0.00 177.00 176.97 1jdf s VAL 18 N 0.86 1.22 0.09 -0.36 -7.23 -0.38 -4.32 120.40 110.29 1jdf s VAL 18 Ca 0.54 -2.06 0.03 0.00 -1.81 0.00 0.00 61.98 58.67 1jdf s VAL 18 Cb -0.25 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 1jdf s VAL 18 CO 0.29 -0.34 -0.08 0.00 -0.31 0.00 0.00 175.10 174.66 1jdf s ALA 19 N -3.29 0.96 0.30 1.32 0.00 -0.42 -1.55 121.76 119.07 1jdf s ALA 19 Ca 0.28 -1.19 0.04 0.00 0.00 0.00 0.00 51.96 51.09 1jdf s ALA 19 Cb 0.05 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 1jdf s ALA 19 CO 0.09 -0.12 0.27 0.20 0.00 0.00 0.00 175.76 176.20 1jdf s GLY 20 N -2.56 1.98 0.01 0.00 0.00 -0.60 -4.60 107.32 101.53 1jdf s GLY 20 Ca 0.06 -1.89 -0.05 0.00 0.00 0.00 0.00 44.72 42.83 1jdf s GLY 20 CO -0.02 -1.38 0.25 0.30 0.00 0.00 0.00 173.10 172.25 1jdf s HIS 21 N -3.59 3.57 0.08 1.90 3.76 -1.26 -1.91 115.29 117.83 1jdf s HIS 21 Ca 0.39 0.51 -0.01 0.00 -0.15 0.00 0.00 55.06 55.80 1jdf s HIS 21 Cb 0.03 -1.94 -0.04 0.00 1.11 0.00 0.00 32.58 31.74 1jdf s HIS 21 CO 0.23 0.62 -0.01 0.34 -0.85 0.00 0.00 174.74 175.06 1jdf s ASP 22 N -1.79 0.55 0.67 1.40 2.15 -0.40 -4.80 116.67 114.45 1jdf s ASP 22 Ca 0.28 -1.06 -0.05 0.00 0.43 0.00 0.00 52.55 52.15 1jdf s ASP 22 Cb -0.13 0.21 0.06 0.00 -0.30 0.00 0.00 42.92 42.76 1jdf s ASP 22 CO 0.17 -0.62 0.97 -0.44 -0.17 0.00 0.00 175.17 175.08 1jdf s SER 23 N -2.98 4.89 -1.51 -0.34 0.01 -1.26 -4.55 113.70 107.97 1jdf s SER 23 Ca 0.13 0.34 -0.11 0.00 1.31 0.00 0.00 55.95 57.61 1jdf s SER 23 Cb 0.07 -1.03 0.00 0.00 0.21 0.00 0.00 66.02 65.28 1jdf s SER 23 CO -0.06 -1.52 2.51 0.80 0.41 0.00 0.00 173.24 175.38 1jdf n MET 24 N -2.80 3.37 -2.12 12.44 1.56 -1.26 -4.59 117.12 123.72 1jdf n MET 24 Ca 0.08 -2.57 -0.42 0.00 -0.27 0.00 0.00 57.70 54.52 1jdf n MET 24 Cb 0.60 -3.02 -0.03 0.00 2.15 0.00 0.00 33.22 32.92 1jdf n MET 24 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1jdf s LEU 25 N 0.91 4.36 0.03 -0.89 1.43 -1.26 -1.01 118.68 122.24 1jdf s LEU 25 Ca 0.56 2.33 -0.13 0.00 -1.03 0.00 0.00 54.13 55.85 1jdf s LEU 25 Cb 0.16 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.74 1jdf s LEU 25 CO -0.07 -0.72 0.41 -0.04 0.23 0.00 0.00 176.35 176.15 1jdf s MET 26 N 1.69 3.87 0.33 1.70 -1.94 -0.50 -1.19 119.30 123.26 1jdf s MET 26 Ca 0.66 0.34 -0.18 0.00 -1.71 0.00 0.00 55.69 54.80 1jdf s MET 26 Cb -0.37 -3.14 0.04 0.00 2.01 0.00 0.00 34.83 33.38 1jdf s MET 26 CO 0.30 0.65 0.78 0.54 -0.01 0.00 0.00 175.02 177.27 1jdf s ASN 27 N -1.31 -0.10 0.38 3.03 6.03 -0.03 -4.51 114.94 118.44 1jdf s ASN 27 Ca 0.27 -0.91 0.12 0.00 -1.03 0.00 0.00 52.86 51.30 1jdf s ASN 27 Cb -0.16 0.78 0.91 0.00 -3.03 0.00 0.00 41.25 39.76 1jdf s ASN 27 CO 0.15 -1.52 1.89 0.25 -2.03 0.00 0.00 177.10 175.84 1jdf h LEU 28 N 2.00 0.55 -0.04 3.54 5.85 -1.69 0.12 115.31 125.64 1jdf h LEU 28 Ca -0.27 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1jdf h LEU 28 Cb 1.25 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1jdf h LEU 28 CO 0.34 0.28 0.00 -1.20 -0.34 0.00 0.00 178.44 177.51 1jdf n SER 29 N -4.53 0.09 0.00 1.25 7.64 -1.26 -4.42 113.62 112.38 1jdf n SER 29 Ca 0.16 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.56 1jdf n SER 29 Cb 0.50 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 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 0.77 0.42 3.04 0.23 0.00 0.40 -3.89 105.19 106.16 1jdf n GLY 30 Ca 0.05 -1.13 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.38 1.15 0.39 4.61 0.00 -0.77 -0.85 121.76 124.92 1jdf s ALA 31 Ca 0.00 -0.43 -0.27 0.00 0.00 0.00 0.00 51.96 51.26 1jdf s ALA 31 Cb 0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 23.12 22.57 1jdf s ALA 31 CO 0.00 0.16 1.42 -1.01 0.00 0.00 0.00 175.76 176.33 1jdf s HIS 32 N 0.35 2.65 0.72 0.00 3.76 -0.33 -4.36 115.29 118.08 1jdf s HIS 32 Ca -0.08 1.26 -0.11 0.00 -0.15 0.00 0.00 55.06 55.99 1jdf s HIS 32 Cb -0.12 -3.90 0.02 0.00 1.11 0.00 0.00 32.58 29.69 1jdf s HIS 32 CO 0.02 -2.69 1.07 0.00 -0.85 0.00 0.00 174.74 172.29 1jdf s ALA 33 N -1.16 2.60 0.63 -1.40 0.00 -1.26 -4.48 121.76 116.68 1jdf s ALA 33 Ca 0.55 0.01 0.32 0.00 0.00 0.00 0.00 51.96 52.84 1jdf s ALA 33 Cb -0.44 -3.15 1.78 0.00 0.00 0.00 0.00 23.12 21.31 1jdf s ALA 33 CO 0.58 -1.32 2.07 -1.35 0.00 0.00 0.00 175.76 175.73 1jdf h PRO 34 N -0.79 0.00 -5.20 0.00 0.11 -1.89 -3.41 132.00 120.82 1jdf h PRO 34 Ca -0.45 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.15 1jdf h PRO 34 Cb 1.22 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.03 1jdf h PRO 34 CO 0.58 0.00 -0.82 -0.06 -0.21 0.00 0.00 178.00 177.48 1jdf s PHE 35 N -4.37 1.44 0.27 0.65 0.08 -1.26 -1.27 117.98 113.52 1jdf s PHE 35 Ca -0.04 -0.36 0.09 0.00 0.12 0.00 0.00 56.93 56.74 1jdf s PHE 35 Cb 0.13 -0.96 -0.04 0.00 -0.57 0.00 0.00 43.02 41.57 1jdf s PHE 35 CO 0.43 -0.10 0.03 -0.59 -0.10 0.00 0.00 175.22 174.89 1jdf s PHE 36 N -0.06 2.74 0.14 0.36 -0.71 -0.80 -4.92 117.98 114.72 1jdf s PHE 36 Ca -0.00 -0.23 0.08 0.00 -1.04 0.00 0.00 56.93 55.73 1jdf s PHE 36 Cb -0.09 -1.27 -0.04 0.00 -1.21 0.00 0.00 43.02 40.41 1jdf s PHE 36 CO 0.01 0.58 -0.18 0.95 -1.34 0.00 0.00 175.22 175.24 1jdf s THR 37 N -2.32 1.68 0.16 -4.49 -4.23 -1.26 -1.56 115.64 103.61 1jdf s THR 37 Ca 0.32 -1.77 -0.06 0.00 -1.18 0.00 0.00 61.69 59.00 1jdf s THR 37 Cb -0.06 -1.69 -0.02 0.00 1.34 0.00 0.00 72.50 72.06 1jdf s THR 37 CO 0.21 -0.27 0.20 -0.13 -0.54 0.00 0.00 174.62 174.09 1jdf s ARG 38 N -2.53 1.09 -0.12 3.99 1.81 -0.59 -2.04 118.95 120.56 1jdf s ARG 38 Ca 0.12 -1.30 0.03 0.00 -1.72 0.00 0.00 55.73 52.86 1jdf s ARG 38 Cb -0.07 0.33 0.00 0.00 -0.45 0.00 0.00 34.95 34.76 1jdf s ARG 38 CO 0.05 -0.37 -0.22 -0.80 -0.68 0.00 0.00 175.30 173.28 1jdf s ASN 39 N -3.01 3.22 -0.13 0.23 0.02 0.33 -1.25 114.94 114.35 1jdf s ASN 39 Ca 0.21 -0.55 -0.06 0.00 -1.02 0.00 0.00 52.86 51.45 1jdf s ASN 39 Cb 0.05 -1.45 -0.04 0.00 0.02 0.00 0.00 41.25 39.83 1jdf s ASN 39 CO 0.02 0.13 0.08 -0.63 0.02 0.00 0.00 177.10 176.71 1jdf s ILE 40 N 0.53 4.95 -0.12 0.60 -1.09 0.13 -1.78 121.20 124.42 1jdf s ILE 40 Ca -0.13 0.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.30 1jdf s ILE 40 Cb -0.17 -3.17 -0.01 0.00 -1.58 0.00 0.00 42.46 37.53 1jdf s ILE 40 CO 0.05 0.56 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.48 1jdf s VAL 41 N -0.47 2.92 -0.12 2.92 1.01 -0.06 -0.64 120.40 125.94 1jdf s VAL 41 Ca 0.10 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1jdf s VAL 41 Cb -0.12 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.09 1jdf s VAL 41 CO 0.02 0.53 -0.04 -0.63 0.00 0.00 0.00 175.10 174.98 1jdf s ILE 42 N 0.30 0.84 0.06 2.22 1.01 -0.53 -0.65 121.20 124.46 1jdf s ILE 42 Ca -0.11 -0.29 0.09 0.00 0.00 0.00 0.00 60.65 60.34 1jdf s ILE 42 Cb -0.16 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.31 1jdf s ILE 42 CO 0.06 0.24 -0.25 -0.63 0.00 0.00 0.00 174.94 174.36 1jdf s ILE 43 N 1.77 2.02 0.11 2.92 1.01 0.09 -1.37 121.20 127.75 1jdf s ILE 43 Ca 0.03 -1.41 0.06 0.00 0.00 0.00 0.00 60.65 59.34 1jdf s ILE 43 Cb -0.13 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 1jdf s ILE 43 CO -0.07 0.27 -0.14 -0.54 0.00 0.00 0.00 174.94 174.45 1jdf s LYS 44 N -1.37 0.97 0.29 2.79 1.02 -0.75 0.32 119.74 123.00 1jdf s LYS 44 Ca 0.11 -1.16 0.08 0.00 0.02 0.00 0.00 55.97 55.01 1jdf s LYS 44 Cb -0.10 -0.90 -0.06 0.00 -0.52 0.00 0.00 37.83 36.26 1jdf s LYS 44 CO 0.03 0.18 -0.09 0.16 -0.92 0.00 0.00 175.35 174.70 1jdf s ASP 45 N -2.25 3.08 0.00 2.83 3.84 -1.09 -0.36 116.67 122.72 1jdf s ASP 45 Ca 0.06 -1.16 0.00 0.00 -0.00 0.00 0.00 52.55 51.45 1jdf s ASP 45 Cb -0.06 -0.23 0.00 0.00 -1.38 0.00 0.00 42.92 41.25 1jdf s ASP 45 CO 0.03 -0.25 0.27 -0.46 -0.00 0.00 0.00 175.17 174.76 1jdf n ASN 46 N -0.62 0.39 -0.44 2.11 6.94 0.32 -1.97 115.26 121.99 1jdf n ASN 46 Ca -0.06 -0.92 0.07 0.00 -0.02 0.00 0.00 54.58 53.65 1jdf n ASN 46 Cb 0.63 -0.19 0.03 0.00 -2.36 0.00 0.00 39.78 37.88 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 0.15 1.82 0.00 0.53 3.41 -1.26 -4.90 113.62 113.36 1jdf n SER 47 Ca 0.00 -1.41 0.00 0.00 -0.26 0.00 0.00 58.87 57.20 1jdf n SER 47 Cb 0.10 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1jdf n SER 47 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jdf n GLY 48 N 0.90 0.90 3.84 5.00 0.00 -0.83 -5.06 105.19 109.93 1jdf n GLY 48 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.40 3.40 -0.07 1.61 3.76 -1.26 -4.94 115.29 115.39 1jdf s HIS 49 Ca 0.00 1.49 0.03 0.00 -0.15 0.00 0.00 55.06 56.43 1jdf s HIS 49 Cb 0.00 -2.79 0.01 0.00 1.11 0.00 0.00 32.58 30.91 1jdf s HIS 49 CO 0.00 -0.24 -0.16 0.99 -0.85 0.00 0.00 174.74 174.48 1jdf s THR 50 N -2.42 1.38 0.01 1.30 2.01 -1.26 -2.67 115.64 113.99 1jdf s THR 50 Ca 0.59 -0.63 0.06 0.00 0.31 0.00 0.00 61.69 62.02 1jdf s THR 50 Cb -0.10 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 1jdf s THR 50 CO 0.24 0.41 -0.15 -0.83 -0.69 0.00 0.00 174.62 173.59 1jdf s GLY 51 N 0.47 1.59 0.18 4.40 0.00 0.15 -4.78 107.32 109.33 1jdf s GLY 51 Ca -0.13 -1.12 0.07 0.00 0.00 0.00 0.00 44.72 43.54 1jdf s GLY 51 CO 0.05 -0.98 -0.15 -1.34 0.00 0.00 0.00 173.10 170.68 1jdf s VAL 52 N -0.89 1.66 0.09 1.40 -7.23 -1.26 -0.73 120.40 113.44 1jdf s VAL 52 Ca 0.14 -2.04 -0.11 0.00 -1.81 0.00 0.00 61.98 58.16 1jdf s VAL 52 Cb -0.11 -1.89 0.01 0.00 0.56 0.00 0.00 36.38 34.95 1jdf s VAL 52 CO 0.05 -0.50 0.26 -0.83 -0.31 0.00 0.00 175.10 173.77 1jdf s GLY 53 N -2.99 -0.04 -0.03 2.32 0.00 0.18 -2.77 107.32 103.98 1jdf s GLY 53 Ca 0.18 -0.36 -0.02 0.00 0.00 0.00 0.00 44.72 44.52 1jdf s GLY 53 CO 0.06 -0.57 0.08 1.85 0.00 0.00 0.00 173.10 174.52 1jdf s GLU 54 N -3.61 0.07 0.21 2.90 2.12 -1.26 -0.88 118.70 118.24 1jdf s GLU 54 Ca 0.03 0.16 -0.10 0.00 0.36 0.00 0.00 54.97 55.42 1jdf s GLU 54 Cb 0.03 -0.04 -0.01 0.00 0.26 0.00 0.00 34.13 34.37 1jdf s GLU 54 CO -0.10 -0.06 0.36 0.96 -0.54 0.00 0.00 175.26 175.88 1jdf s ILE 55 N 0.38 0.02 0.63 -3.70 -4.36 -0.73 -4.78 121.20 108.66 1jdf s ILE 55 Ca -0.03 -1.47 -0.17 0.00 -0.26 0.00 0.00 60.65 58.72 1jdf s ILE 55 Cb -0.04 -2.11 -0.09 0.00 1.25 0.00 0.00 42.46 41.47 1jdf s ILE 55 CO -0.01 -0.10 0.31 -2.65 0.24 0.00 0.00 174.94 172.73 1jdf n PRO 56 N -0.31 0.30 -2.58 0.37 -0.02 -1.26 -0.52 135.00 130.98 1jdf n PRO 56 Ca -0.03 0.13 -0.25 0.00 -2.02 0.00 0.00 63.50 61.32 1jdf n PRO 56 Cb 0.63 -1.56 0.03 0.00 -0.02 0.00 0.00 33.50 32.58 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 -1.23 1.62 0.00 -1.23 0.00 -0.87 -3.71 107.32 101.90 1jdf s GLY 57 Ca 0.63 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 44.49 1jdf s GLY 57 CO 0.60 -0.61 0.00 0.61 0.00 0.00 0.00 173.10 173.69 1jdf n GLY 58 N -2.43 4.60 0.27 0.20 0.00 -1.26 -4.45 105.19 102.11 1jdf n GLY 58 Ca 0.04 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 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 0.93 -0.21 1.61 4.57 -1.92 -1.85 114.58 117.70 1jdf h GLU 59 Ca 0.00 -0.33 0.05 0.00 -1.18 0.00 0.00 59.36 57.90 1jdf h GLU 59 Cb 0.00 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.47 1jdf h GLU 59 CO 0.00 0.98 -0.14 0.87 -1.18 0.00 0.00 179.01 179.54 1jdf h LYS 60 N 0.79 -0.13 -0.67 1.92 1.57 -1.99 0.27 116.57 118.34 1jdf h LYS 60 Ca 0.13 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 1jdf h LYS 60 Cb 0.60 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 1jdf h LYS 60 CO 0.04 -0.08 0.09 0.82 -0.57 0.00 0.00 179.45 179.75 1jdf h ILE 61 N -0.13 1.26 -0.04 1.86 2.04 -1.88 -0.41 117.51 120.22 1jdf h ILE 61 Ca 0.12 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 1jdf h ILE 61 Cb 0.31 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1jdf h ILE 61 CO -0.29 0.40 0.02 -0.09 0.00 0.00 0.00 178.15 178.18 1jdf h ARG 62 N 1.04 0.05 -0.01 2.37 2.43 -0.68 -0.46 114.38 119.12 1jdf h ARG 62 Ca 0.20 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1jdf h ARG 62 Cb 0.46 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1jdf h ARG 62 CO 0.02 0.18 -0.01 -0.22 -1.51 0.00 0.00 179.97 178.43 1jdf h LYS 63 N -0.09 -0.00 -0.87 0.20 1.63 -0.41 -1.16 116.57 115.87 1jdf h LYS 63 Ca 0.01 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.87 1jdf h LYS 63 Cb 0.15 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.72 1jdf h LYS 63 CO -0.00 -0.00 0.57 1.15 -3.45 0.00 0.00 179.45 177.71 1jdf h THR 64 N -0.00 1.09 -0.65 1.00 2.02 -0.98 0.27 112.91 115.65 1jdf h THR 64 Ca 0.01 -0.35 -0.07 0.00 0.77 0.00 0.00 66.41 66.77 1jdf h THR 64 Cb 0.01 -0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.39 1jdf h THR 64 CO -0.01 0.18 0.15 -0.07 0.37 0.00 0.00 175.52 176.14 1jdf h LEU 65 N 1.01 1.00 -0.03 2.58 3.38 -0.71 -2.19 115.31 120.35 1jdf h LEU 65 Ca 0.36 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1jdf h LEU 65 Cb 0.14 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1jdf h LEU 65 CO -0.12 0.98 0.01 -0.08 0.09 0.00 0.00 178.44 179.32 1jdf h GLU 66 N 0.97 0.04 -0.01 1.13 4.81 0.22 -2.62 114.58 119.13 1jdf h GLU 66 Ca 0.20 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1jdf h GLU 66 Cb 0.38 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 1jdf h GLU 66 CO 0.00 0.13 0.01 -0.44 -0.73 0.00 0.00 179.01 177.99 1jdf h ASP 67 N -0.07 0.00 0.90 1.04 3.45 -0.39 -2.02 116.42 119.34 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 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.88 1jdf h ASP 67 CO -0.00 0.00 -0.43 0.00 -1.57 0.00 0.00 179.24 177.24 1jdf n ALA 68 N -2.30 2.89 -0.20 3.45 0.00 -0.84 -4.36 120.51 119.14 1jdf n ALA 68 Ca -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 53.44 53.18 1jdf n ALA 68 Cb 0.10 -1.24 0.06 0.00 0.00 0.00 0.00 19.45 18.36 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 0.39 -0.06 0.00 2.04 -1.17 -0.34 117.51 118.37 1jdf h ILE 69 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1jdf h ILE 69 Cb 0.66 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1jdf h ILE 69 CO 0.00 0.00 0.11 1.55 0.00 0.00 0.00 178.15 179.81 1jdf h PRO 70 N -0.01 0.00 0.00 2.37 0.13 -1.80 -0.05 132.00 132.65 1jdf h PRO 70 Ca 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.42 1jdf h PRO 70 Cb 0.44 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.57 1jdf h PRO 70 CO -0.62 0.00 -0.17 1.28 -0.23 0.00 0.00 178.00 178.26 1jdf n LEU 71 N -3.51 0.35 -0.12 1.56 4.77 -0.15 -4.26 117.00 115.64 1jdf n LEU 71 Ca -0.01 0.38 -0.26 0.00 -0.03 0.00 0.00 56.01 56.09 1jdf n LEU 71 Cb 0.20 -0.37 -0.09 0.00 -2.33 0.00 0.00 43.42 40.83 1jdf n LEU 71 CO 0.24 -0.02 -1.34 0.52 -1.33 0.00 0.00 177.39 175.46 1jdf n VAL 72 N -1.73 1.35 -1.78 4.08 0.31 -0.08 -4.88 118.33 115.60 1jdf n VAL 72 Ca 0.06 -0.34 -0.40 0.00 -0.01 0.00 0.00 64.34 63.65 1jdf n VAL 72 Cb 0.37 -1.84 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 -0.69 -1.32 0.00 0.00 176.83 174.82 1jdf s VAL 73 N -2.45 2.03 0.00 2.52 1.01 -0.90 -2.35 120.40 120.25 1jdf s VAL 73 Ca -0.34 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1jdf s VAL 73 Cb 0.13 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1jdf s VAL 73 CO 0.43 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1jdf n GLY 74 N 0.57 3.22 3.79 4.51 0.00 0.24 -4.96 105.19 112.55 1jdf n GLY 74 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.49 4.17 0.56 1.61 -0.14 -0.99 -4.60 119.74 119.86 1jdf s LYS 75 Ca 0.00 1.39 -0.09 0.00 -1.36 0.00 0.00 55.97 55.91 1jdf s LYS 75 Cb 0.00 -2.44 -0.04 0.00 -1.68 0.00 0.00 37.83 33.67 1jdf s LYS 75 CO 0.00 -0.11 0.94 -0.08 -0.76 0.00 0.00 175.35 175.33 1jdf s THR 76 N -1.80 4.78 0.20 2.17 -1.32 -1.26 -0.07 115.64 118.34 1jdf s THR 76 Ca 0.59 0.63 -0.10 0.00 -1.21 0.00 0.00 61.69 61.60 1jdf s THR 76 Cb -0.18 -3.86 0.14 0.00 -1.51 0.00 0.00 72.50 67.08 1jdf s THR 76 CO 0.23 -1.02 1.83 -0.07 -2.21 0.00 0.00 174.62 173.38 1jdf h LEU 77 N -0.08 0.89 -0.04 9.08 3.38 -1.82 -2.43 115.31 124.30 1jdf h LEU 77 Ca -0.45 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1jdf h LEU 77 Cb 1.20 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1jdf h LEU 77 CO 0.62 0.71 0.10 0.61 0.09 0.00 0.00 178.44 180.56 1jdf n GLY 78 N -1.15 -0.41 1.08 0.83 0.00 -1.26 -0.71 105.19 103.57 1jdf n GLY 78 Ca 0.06 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.42 2.69 -0.35 1.61 1.02 -0.91 -4.63 120.64 118.64 1jdf n GLU 79 Ca -0.00 -2.39 0.15 0.00 -0.02 0.00 0.00 57.16 54.90 1jdf n GLU 79 Cb 0.10 -1.46 0.35 0.00 -0.02 0.00 0.00 31.44 30.41 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 3.54 1.04 -0.19 -0.32 -0.00 -1.06 0.19 116.97 120.18 1jdf h TYR 80 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 58.73 58.75 1jdf h TYR 80 Cb 0.89 -0.31 -0.01 0.00 0.00 0.00 0.00 36.73 37.31 1jdf h TYR 80 CO 0.37 0.18 0.07 0.87 -0.00 0.00 0.00 178.16 179.65 1jdf h LYS 81 N 0.70 0.28 -0.40 0.10 1.57 -1.84 -0.53 116.57 116.46 1jdf h LYS 81 Ca 0.60 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 59.29 1jdf h LYS 81 Cb 1.01 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 1jdf h LYS 81 CO -0.41 0.36 0.08 -0.91 -0.57 0.00 0.00 179.45 178.01 1jdf h ASN 82 N 0.14 0.55 -0.23 0.86 2.35 -1.54 -1.94 115.58 115.76 1jdf h ASN 82 Ca 0.06 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.67 1jdf h ASN 82 Cb 0.19 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1jdf h ASN 82 CO -0.00 0.56 -0.06 0.58 -1.65 0.00 0.00 177.43 176.86 1jdf h VAL 83 N 0.58 1.28 -0.72 2.81 2.07 -0.73 -1.43 116.25 120.11 1jdf h VAL 83 Ca 0.13 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 1jdf h VAL 83 Cb 0.25 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1jdf h VAL 83 CO -0.00 0.33 0.40 -0.07 0.02 0.00 0.00 177.57 178.25 1jdf h LEU 84 N 0.19 0.89 -0.72 2.57 3.38 -0.86 -0.90 115.31 119.86 1jdf h LEU 84 Ca 0.06 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1jdf h LEU 84 Cb 0.52 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1jdf h LEU 84 CO 0.02 0.72 -0.23 0.74 0.09 0.00 0.00 178.44 179.79 1jdf h THR 85 N 0.99 1.27 -0.06 0.22 2.02 -1.30 -1.23 112.91 114.82 1jdf h THR 85 Ca 0.25 -1.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.10 1jdf h THR 85 Cb 0.02 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1jdf h THR 85 CO -0.04 0.44 0.02 0.25 0.37 0.00 0.00 175.52 176.56 1jdf h LEU 86 N 0.64 0.09 -0.61 2.58 6.46 -0.86 -0.97 115.31 122.64 1jdf h LEU 86 Ca 0.09 -0.20 0.07 0.00 -0.12 0.00 0.00 57.88 57.72 1jdf h LEU 86 Cb 0.73 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.58 1jdf h LEU 86 CO 0.06 0.26 0.30 0.58 -0.62 0.00 0.00 178.44 179.02 1jdf h VAL 87 N -0.09 0.89 -0.31 1.05 2.07 -1.05 -0.09 116.25 118.73 1jdf h VAL 87 Ca 0.02 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1jdf h VAL 87 Cb 0.20 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1jdf h VAL 87 CO -0.00 0.10 0.14 -0.09 0.02 0.00 0.00 177.57 177.74 1jdf h ARG 88 N 0.55 0.46 -0.46 1.57 2.43 -1.00 -2.61 114.38 115.30 1jdf h ARG 88 Ca 0.29 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.33 1jdf h ARG 88 Cb 0.25 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1jdf h ARG 88 CO -0.22 0.44 0.06 -0.91 -1.51 0.00 0.00 179.97 177.83 1jdf h ASN 89 N 0.36 0.75 -0.22 -3.80 2.35 -0.79 -1.69 115.58 112.54 1jdf h ASN 89 Ca 0.11 -0.27 0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1jdf h ASN 89 Cb 0.14 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 1jdf h ASN 89 CO -0.01 0.83 0.04 0.74 -1.65 0.00 0.00 177.43 177.37 1jdf h THR 90 N 0.64 0.89 -0.46 2.81 2.02 -0.94 -3.15 112.91 114.71 1jdf h THR 90 Ca 0.14 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1jdf h THR 90 Cb 0.41 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1jdf h THR 90 CO 0.01 0.02 0.00 0.49 0.37 0.00 0.00 175.52 176.41 1jdf n PHE 91 N -5.09 1.50 -0.19 3.16 3.72 -0.99 -4.71 117.46 114.86 1jdf n PHE 91 Ca -0.02 -0.75 0.17 0.00 -0.05 0.00 0.00 57.45 56.80 1jdf n PHE 91 Cb 0.10 -0.38 0.52 0.00 -0.94 0.00 0.00 39.48 38.78 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 3.12 2.17 0.00 4.37 0.00 -1.26 -2.50 119.26 125.17 1jdf h ALA 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jdf h ALA 92 Cb 1.64 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1jdf h ALA 92 CO 0.33 -0.40 0.00 0.38 0.00 0.00 0.00 179.25 179.56 1jdf h ASP 93 N 0.39 0.00 0.45 0.00 3.04 -1.85 -2.77 116.42 115.68 1jdf h ASP 93 Ca 0.40 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.19 1jdf h ASP 93 Cb 0.98 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.27 1jdf h ASP 93 CO -0.13 0.00 0.00 0.54 -2.04 0.00 0.00 179.24 177.61 1jdf n ARG 94 N -2.42 0.22 -0.59 4.15 1.74 -0.94 -2.38 116.66 116.44 1jdf n ARG 94 Ca 0.01 0.11 0.03 0.00 -0.77 0.00 0.00 57.85 57.22 1jdf n ARG 94 Cb 0.20 -1.50 0.22 0.00 -1.02 0.00 0.00 32.46 30.36 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 -1.33 3.15 -0.03 0.55 8.00 -1.04 -4.51 116.55 121.34 1jdf n ASP 95 Ca 0.09 -3.37 0.01 0.00 0.71 0.00 0.00 54.79 52.23 1jdf n ASP 95 Cb 0.18 -0.58 0.33 0.00 -0.02 0.00 0.00 41.12 41.03 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 1.31 1.50 0.00 2.24 0.00 -1.65 -2.48 119.26 120.17 1jdf h ALA 96 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jdf h ALA 96 Cb 1.53 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1jdf h ALA 96 CO 0.29 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.34 1jdf n GLY 97 N -1.15 -1.08 7.00 0.00 0.00 -1.26 -5.01 105.19 103.69 1jdf n GLY 97 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1jdf n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdf n GLY 98 N 0.48 -1.46 0.28 -0.02 0.00 -0.94 -4.29 105.19 99.25 1jdf n GLY 98 Ca 0.07 -1.26 -0.03 0.00 0.00 0.00 0.00 46.02 44.80 1jdf n GLY 98 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1jdf h ARG 99 N 0.00 0.72 0.00 1.61 2.43 -1.92 -3.32 114.38 113.89 1jdf h ARG 99 Ca 0.00 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 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 0.72 0.00 0.41 -1.51 0.00 0.00 179.97 179.59 1jdf n GLY 100 N -0.74 -2.89 0.59 2.80 0.00 -1.26 -0.67 105.19 103.00 1jdf n GLY 100 Ca 0.02 -1.90 0.07 0.00 0.00 0.00 0.00 46.02 44.21 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 2.33 -4.82 0.99 4.77 -1.26 -4.95 117.00 114.06 1jdf n LEU 101 Ca 0.00 -1.22 -0.29 0.00 -0.03 0.00 0.00 56.01 54.47 1jdf n LEU 101 Cb 0.00 -0.06 0.13 0.00 -2.33 0.00 0.00 43.42 41.16 1jdf n LEU 101 CO 0.00 0.47 0.74 -1.10 -1.33 0.00 0.00 177.39 176.18 1jdf s GLN 102 N -1.09 1.22 0.46 3.23 -1.52 -1.26 -4.90 119.66 115.79 1jdf s GLN 102 Ca 0.18 0.18 0.31 0.00 -1.95 0.00 0.00 55.36 54.08 1jdf s GLN 102 Cb 0.12 -1.86 1.32 0.00 -0.22 0.00 0.00 33.01 32.37 1jdf s GLN 102 CO 0.17 -2.12 1.91 1.79 -0.25 0.00 0.00 175.29 176.80 1jdf h THR 103 N -1.44 0.00 -3.22 -0.19 1.35 -1.95 -3.43 112.91 104.03 1jdf h THR 103 Ca -0.49 -0.36 -0.64 0.00 -0.55 0.00 0.00 66.41 64.37 1jdf h THR 103 Cb 1.32 1.26 -0.16 0.00 -1.73 0.00 0.00 68.15 68.84 1jdf h THR 103 CO 0.60 0.00 -0.75 0.72 -0.25 0.00 0.00 175.52 175.84 1jdf s PHE 104 N -3.59 2.60 0.05 4.73 -0.71 -1.26 -5.04 117.98 114.76 1jdf s PHE 104 Ca 0.02 -0.23 -0.31 0.00 -1.04 0.00 0.00 56.93 55.37 1jdf s PHE 104 Cb 0.09 -1.30 -0.06 0.00 -1.21 0.00 0.00 43.02 40.54 1jdf s PHE 104 CO 0.47 0.48 1.29 0.34 -1.34 0.00 0.00 175.22 176.46 1jdf s ASP 105 N -2.61 6.96 0.00 1.98 -1.08 -1.26 -4.86 116.67 115.80 1jdf s ASP 105 Ca 0.23 2.09 0.27 0.00 -0.52 0.00 0.00 52.55 54.61 1jdf s ASP 105 Cb -0.09 -2.57 0.87 0.00 -1.46 0.00 0.00 42.92 39.66 1jdf s ASP 105 CO 0.14 -0.59 1.64 0.18 0.52 0.00 0.00 175.17 177.06 1jdf n LEU 106 N 4.43 1.80 -4.65 -1.34 4.77 0.15 -4.96 117.00 117.20 1jdf n LEU 106 Ca 0.11 -0.62 -0.30 0.00 -0.03 0.00 0.00 56.01 55.17 1jdf n LEU 106 Cb 0.45 -0.01 0.17 0.00 -2.33 0.00 0.00 43.42 41.69 1jdf n LEU 106 CO 0.57 0.31 0.64 -0.13 -1.33 0.00 0.00 177.39 177.45 1jdf s ARG 107 N -1.97 0.75 0.09 3.23 0.52 -1.25 -4.96 118.95 115.36 1jdf s ARG 107 Ca 0.36 1.09 0.00 0.00 -0.52 0.00 0.00 55.73 56.66 1jdf s ARG 107 Cb 0.21 -1.73 0.00 0.00 0.52 0.00 0.00 34.95 33.95 1jdf s ARG 107 CO 0.32 -2.67 0.00 2.41 0.02 0.00 0.00 175.30 175.38 1jdf n THR 108 N -4.21 0.84 -0.03 0.02 -1.04 -1.26 -4.79 114.28 103.80 1jdf n THR 108 Ca 0.08 0.28 0.04 0.00 -2.04 0.00 0.00 64.05 62.40 1jdf n THR 108 Cb 0.54 -1.34 0.40 0.00 -1.82 0.00 0.00 70.33 68.11 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 1.11 -0.84 12.58 2.02 -1.85 -2.04 112.91 123.90 1jdf h THR 109 Ca 0.00 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 1jdf h THR 109 Cb 0.00 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 66.81 1jdf h THR 109 CO 0.00 0.11 0.43 -0.29 0.37 0.00 0.00 175.52 176.15 1jdf h ILE 110 N 0.62 1.25 -0.31 3.11 6.09 -1.93 -1.06 117.51 125.28 1jdf h ILE 110 Ca 0.17 -0.65 -0.05 0.00 -1.37 0.00 0.00 64.86 62.95 1jdf h ILE 110 Cb -0.06 0.14 -0.01 0.00 0.47 0.00 0.00 36.82 37.36 1jdf h ILE 110 CO -0.04 0.29 -0.01 0.45 -3.07 0.00 0.00 178.15 175.77 1jdf h HIS 111 N 1.18 0.61 -0.32 2.19 3.86 -1.55 -2.73 115.15 118.38 1jdf h HIS 111 Ca 0.29 -0.11 0.06 0.00 -1.16 0.00 0.00 60.37 59.45 1jdf h HIS 111 Cb 0.06 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 28.32 1jdf h HIS 111 CO 0.01 0.69 -0.03 0.28 0.86 0.00 0.00 177.93 179.75 1jdf h VAL 112 N 0.35 0.73 -0.65 2.45 2.07 -0.85 -1.95 116.25 118.41 1jdf h VAL 112 Ca 0.09 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.67 1jdf h VAL 112 Cb 0.46 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 1jdf h VAL 112 CO 0.02 0.01 0.29 0.58 0.02 0.00 0.00 177.57 178.49 1jdf h VAL 113 N 0.06 0.82 -0.81 2.57 2.07 -1.14 -1.81 116.25 118.01 1jdf h VAL 113 Ca 0.16 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1jdf h VAL 113 Cb 0.22 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1jdf h VAL 113 CO -0.29 0.09 0.46 0.74 0.02 0.00 0.00 177.57 178.60 1jdf h THR 114 N 0.51 1.23 -0.47 2.57 2.02 -1.06 -0.92 112.91 116.79 1jdf h THR 114 Ca 0.32 -0.56 0.04 0.00 0.77 0.00 0.00 66.41 66.98 1jdf h THR 114 Cb 0.35 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 1jdf h THR 114 CO -0.28 0.26 0.23 1.23 0.37 0.00 0.00 175.52 177.33 1jdf h GLY 115 N 1.12 0.65 1.30 2.16 0.00 -0.62 0.17 103.07 107.84 1jdf h GLY 115 Ca 0.29 -0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.33 1jdf h GLY 115 CO -0.05 0.11 -0.26 -2.22 0.00 0.00 0.00 176.54 174.12 1jdf h ILE 116 N 0.46 1.27 -0.04 2.60 2.04 -1.23 -3.04 117.51 119.58 1jdf h ILE 116 Ca 0.20 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.67 1jdf h ILE 116 Cb 0.11 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1jdf h ILE 116 CO -0.15 0.46 0.02 -0.08 0.00 0.00 0.00 178.15 178.41 1jdf h GLU 117 N 0.68 0.05 -0.41 2.37 4.81 -0.51 0.88 114.58 122.46 1jdf h GLU 117 Ca 0.09 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1jdf h GLU 117 Cb 0.79 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.11 1jdf h GLU 117 CO 0.06 0.11 0.15 0.00 -0.73 0.00 0.00 179.01 178.60 1jdf h ALA 118 N 0.94 0.49 -0.30 2.92 0.00 -0.99 0.25 119.26 122.57 1jdf h ALA 118 Ca 0.01 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1jdf h ALA 118 Cb 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1jdf h ALA 118 CO -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.01 1jdf h ALA 119 N 1.26 0.40 -0.69 0.00 0.00 -1.38 -0.54 119.26 118.31 1jdf h ALA 119 Ca 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1jdf h ALA 119 Cb 0.17 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1jdf h ALA 119 CO -0.19 0.15 0.34 0.52 0.00 0.00 0.00 179.25 180.07 1jdf h MET 120 N 0.32 0.99 -0.13 0.00 2.07 -0.47 -0.69 114.93 117.02 1jdf h MET 120 Ca 0.09 -0.14 -0.10 0.00 -2.07 0.00 0.00 59.70 57.47 1jdf h MET 120 Cb 0.43 -0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 29.97 1jdf h MET 120 CO 0.02 0.78 -0.36 -0.07 1.07 0.00 0.00 176.91 178.34 1jdf h LEU 121 N 0.96 0.29 -0.12 1.22 3.38 -0.42 0.85 115.31 121.47 1jdf h LEU 121 Ca 0.24 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1jdf h LEU 121 Cb 0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1jdf h LEU 121 CO -0.03 0.63 0.06 -0.78 0.09 0.00 0.00 178.44 178.41 1jdf h ASP 122 N 0.24 0.16 -0.29 -0.43 3.58 -0.40 0.68 116.42 119.95 1jdf h ASP 122 Ca 0.03 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 1jdf h ASP 122 Cb 0.75 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.74 1jdf h ASP 122 CO 0.06 0.22 0.11 -0.07 -2.88 0.00 0.00 179.24 176.68 1jdf h LEU 123 N 0.09 0.41 -1.05 2.28 3.38 -0.75 -1.93 115.31 117.74 1jdf h LEU 123 Ca 0.04 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1jdf h LEU 123 Cb 0.10 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1jdf h LEU 123 CO -0.01 0.47 0.60 0.25 0.09 0.00 0.00 178.44 179.85 1jdf h LEU 124 N 0.32 1.09 -0.64 1.67 5.85 -0.66 -0.52 115.31 122.42 1jdf h LEU 124 Ca 0.10 -0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.65 1jdf h LEU 124 Cb 0.19 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1jdf h LEU 124 CO -0.01 0.81 -0.29 1.23 -0.34 0.00 0.00 178.44 179.84 1jdf h GLY 125 N 1.28 0.81 1.36 3.75 0.00 -0.68 -0.35 103.07 109.24 1jdf h GLY 125 Ca 0.34 -0.74 -0.10 0.00 0.00 0.00 0.00 47.33 46.83 1jdf h GLY 125 CO -0.07 0.67 -0.17 1.46 0.00 0.00 0.00 176.54 178.43 1jdf h GLN 126 N 0.64 0.75 -0.30 4.80 4.20 -0.85 0.10 115.11 124.45 1jdf h GLN 126 Ca 0.08 -0.28 -0.13 0.00 0.06 0.00 0.00 58.65 58.38 1jdf h GLN 126 Cb 0.81 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.54 1jdf h GLN 126 CO 0.07 0.87 -0.33 1.25 -0.67 0.00 0.00 178.83 180.03 1jdf h HIS 127 N 0.67 0.91 -0.00 2.96 2.76 -0.83 -3.15 115.15 118.46 1jdf h HIS 127 Ca 0.10 -0.28 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 1jdf h HIS 127 Cb 0.66 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.43 1jdf h HIS 127 CO 0.03 1.05 -0.16 1.28 -1.30 0.00 0.00 177.93 178.83 1jdf n LEU 128 N -4.21 0.61 -1.78 0.26 4.77 -0.16 -4.95 117.00 111.53 1jdf n LEU 128 Ca -0.04 -0.05 -0.11 0.00 -0.03 0.00 0.00 56.01 55.78 1jdf n LEU 128 Cb 0.50 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1jdf n LEU 128 CO 0.46 0.11 0.06 0.61 -1.33 0.00 0.00 177.39 177.30 1jdf n GLY 129 N 1.31 0.16 3.13 -0.72 0.00 0.19 -5.04 105.19 104.22 1jdf n GLY 129 Ca 0.13 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.99 0.14 0.75 1.61 -7.23 -0.25 -4.77 120.40 107.65 1jdf s VAL 130 Ca 0.21 -1.14 -0.11 0.00 -1.81 0.00 0.00 61.98 59.13 1jdf s VAL 130 Cb -0.09 -1.00 0.04 0.00 0.56 0.00 0.00 36.38 35.89 1jdf s VAL 130 CO 0.26 -0.63 1.08 0.54 -0.31 0.00 0.00 175.10 176.04 1jdf s ASN 131 N -2.27 4.85 0.37 4.85 6.03 -1.22 -0.53 114.94 127.02 1jdf s ASN 131 Ca -0.03 1.62 0.06 0.00 -1.03 0.00 0.00 52.86 53.48 1jdf s ASN 131 Cb 0.00 -2.41 0.75 0.00 -3.03 0.00 0.00 41.25 36.56 1jdf s ASN 131 CO -0.06 -1.78 1.98 0.58 -2.03 0.00 0.00 177.10 175.79 1jdf h VAL 132 N -0.95 1.05 -0.98 3.54 2.07 -1.58 -1.84 116.25 117.56 1jdf h VAL 132 Ca -0.45 -0.25 0.14 0.00 0.82 0.00 0.00 66.70 66.96 1jdf h VAL 132 Cb 1.23 0.25 -0.09 0.00 -1.52 0.00 0.00 31.29 31.16 1jdf h VAL 132 CO 0.55 0.13 0.60 0.00 0.02 0.00 0.00 177.57 178.88 1jdf h ALA 133 N 1.62 1.50 0.00 1.67 0.00 -1.86 -0.10 119.26 122.10 1jdf h ALA 133 Ca 0.28 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1jdf h ALA 133 Cb 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1jdf h ALA 133 CO -0.08 0.13 0.00 0.77 0.00 0.00 0.00 179.25 180.07 1jdf h SER 134 N 0.90 0.00 0.03 0.00 0.02 -1.64 -2.74 113.55 110.13 1jdf h SER 134 Ca 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 1jdf h SER 134 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1jdf h SER 134 CO -0.30 0.00 -0.10 0.18 -1.14 0.00 0.00 176.83 175.47 1jdf n LEU 135 N -2.82 1.80 -4.70 5.07 4.77 -0.07 -4.36 117.00 116.70 1jdf n LEU 135 Ca 0.01 -0.59 -0.33 0.00 -0.03 0.00 0.00 56.01 55.07 1jdf n LEU 135 Cb 0.28 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.26 1jdf n LEU 135 CO 0.25 0.31 -0.31 -0.76 -1.33 0.00 0.00 177.39 175.55 1jdf s LEU 136 N -2.16 3.58 0.00 2.23 1.43 -1.04 -4.95 118.68 117.77 1jdf s LEU 136 Ca 0.31 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1jdf s LEU 136 Cb 0.20 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1jdf s LEU 136 CO 0.39 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.88 1jdf n GLY 137 N 1.52 2.36 1.70 -3.19 0.00 -1.26 -0.50 105.19 105.82 1jdf n GLY 137 Ca -0.15 0.38 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 1jdf n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jdf n ASP 138 N 5.22 3.87 0.00 1.61 10.43 -1.26 -5.06 116.55 131.35 1jdf n ASP 138 Ca 0.00 -3.43 0.00 0.00 2.57 0.00 0.00 54.79 53.93 1jdf n ASP 138 Cb 0.00 -0.72 0.00 0.00 1.84 0.00 0.00 41.12 42.24 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 -0.68 -3.49 3.74 0.44 0.00 0.34 -4.92 105.19 100.62 1jdf n GLY 139 Ca 0.41 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.92 4.31 -0.01 1.61 0.74 -1.19 -4.55 119.66 119.66 1jdf s GLN 140 Ca 0.00 2.22 0.08 0.00 0.05 0.00 0.00 55.36 57.71 1jdf s GLN 140 Cb 0.00 -3.14 -0.11 0.00 1.10 0.00 0.00 33.01 30.86 1jdf s GLN 140 CO 0.00 -0.36 0.18 1.04 -0.55 0.00 0.00 175.29 175.60 1jdf n GLN 141 N 2.39 0.58 -3.85 1.67 1.13 0.17 -4.98 117.38 114.49 1jdf n GLN 141 Ca 0.06 -0.06 -0.10 0.00 -1.94 0.00 0.00 57.00 54.96 1jdf n GLN 141 Cb 0.41 -1.15 -0.08 0.00 0.11 0.00 0.00 30.24 29.53 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 -2.46 0.78 0.00 -1.09 1.70 -1.08 -4.99 118.95 111.81 1jdf s ARG 142 Ca -0.02 -0.80 0.22 0.00 -0.47 0.00 0.00 55.73 54.66 1jdf s ARG 142 Cb 0.05 0.32 -0.06 0.00 -0.57 0.00 0.00 34.95 34.69 1jdf s ARG 142 CO 0.31 -0.24 1.03 -1.13 -1.08 0.00 0.00 175.30 174.20 1jdf n SER 143 N 0.29 1.41 -3.73 -2.89 3.41 -1.26 -4.86 113.62 105.98 1jdf n SER 143 Ca -0.17 -1.18 -0.14 0.00 -0.26 0.00 0.00 58.87 57.13 1jdf n SER 143 Cb 0.61 0.71 -0.09 0.00 -0.26 0.00 0.00 64.21 65.18 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 -2.76 0.68 -0.16 4.33 -1.05 -1.26 -0.87 118.70 117.61 1jdf s GLU 144 Ca 0.13 -0.04 0.02 0.00 -0.15 0.00 0.00 54.97 54.93 1jdf s GLU 144 Cb 0.17 0.31 0.01 0.00 -0.44 0.00 0.00 34.13 34.18 1jdf s GLU 144 CO 0.72 -0.18 -0.21 0.08 0.95 0.00 0.00 175.26 176.62 1jdf s VAL 145 N -1.10 2.03 0.10 1.83 1.01 0.69 -4.90 120.40 120.06 1jdf s VAL 145 Ca -0.11 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.62 1jdf s VAL 145 Cb -0.04 -1.82 -0.06 0.00 0.00 0.00 0.00 36.38 34.46 1jdf s VAL 145 CO 0.04 0.54 1.02 -0.70 0.00 0.00 0.00 175.10 176.00 1jdf s GLU 146 N 1.03 4.62 0.16 2.72 2.12 -1.26 -1.11 118.70 126.98 1jdf s GLU 146 Ca -0.02 1.54 0.08 0.00 0.36 0.00 0.00 54.97 56.93 1jdf s GLU 146 Cb -0.14 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1jdf s GLU 146 CO -0.07 0.09 -0.10 -1.64 -0.54 0.00 0.00 175.26 173.00 1jdf s MET 147 N 0.21 2.07 0.22 4.30 -1.94 0.68 -1.11 119.30 123.74 1jdf s MET 147 Ca 0.50 -1.21 0.05 0.00 -1.71 0.00 0.00 55.69 53.32 1jdf s MET 147 Cb -0.25 -2.20 -0.03 0.00 2.01 0.00 0.00 34.83 34.36 1jdf s MET 147 CO 0.31 0.45 0.26 -0.48 -0.01 0.00 0.00 175.02 175.55 1jdf s LEU 148 N -2.66 4.08 -0.30 -0.03 0.05 -0.32 -4.66 118.68 114.83 1jdf s LEU 148 Ca 0.24 -0.06 -0.22 0.00 0.05 0.00 0.00 54.13 54.14 1jdf s LEU 148 Cb -0.09 -2.62 -0.00 0.00 -2.05 0.00 0.00 46.19 41.42 1jdf s LEU 148 CO 0.15 -0.03 0.73 -0.83 -0.55 0.00 0.00 176.35 175.82 1jdf s GLY 149 N -3.73 1.74 -0.83 -3.48 0.00 0.31 -4.49 107.32 96.83 1jdf s GLY 149 Ca 0.33 -0.47 -0.21 0.00 0.00 0.00 0.00 44.72 44.37 1jdf s GLY 149 CO 0.27 1.64 1.11 -0.47 0.00 0.00 0.00 173.10 175.65 1jdf s TYR 150 N 2.81 2.84 0.41 1.90 6.14 -1.26 -1.19 117.35 129.00 1jdf s TYR 150 Ca 0.30 -0.95 -0.18 0.00 0.64 0.00 0.00 57.07 56.87 1jdf s TYR 150 Cb -0.15 -4.35 -0.10 0.00 0.42 0.00 0.00 41.96 37.78 1jdf s TYR 150 CO 0.12 -1.63 0.89 -0.51 0.64 0.00 0.00 175.55 175.06 1jdf s LEU 151 N 3.61 3.92 0.03 6.97 1.43 0.21 -4.98 118.68 129.88 1jdf s LEU 151 Ca 0.30 1.54 -0.08 0.00 -1.03 0.00 0.00 54.13 54.87 1jdf s LEU 151 Cb -0.09 -4.39 -0.00 0.00 0.03 0.00 0.00 46.19 41.74 1jdf s LEU 151 CO -0.01 -0.35 0.16 -0.36 0.23 0.00 0.00 176.35 176.01 1jdf s PHE 152 N -2.20 0.09 0.11 0.29 0.08 -1.26 -1.37 117.98 113.73 1jdf s PHE 152 Ca 0.59 -0.31 -0.27 0.00 0.12 0.00 0.00 56.93 57.06 1jdf s PHE 152 Cb -0.09 -0.06 -0.07 0.00 -0.57 0.00 0.00 43.02 42.22 1jdf s PHE 152 CO 0.18 -0.39 0.82 -0.06 -0.10 0.00 0.00 175.22 175.67 1jdf s PHE 153 N -2.37 3.83 -0.18 0.36 0.08 -1.26 -4.94 117.98 113.50 1jdf s PHE 153 Ca -0.07 1.63 -0.02 0.00 0.12 0.00 0.00 56.93 58.60 1jdf s PHE 153 Cb -0.02 -2.87 -0.01 0.00 -0.57 0.00 0.00 43.02 39.55 1jdf s PHE 153 CO -0.03 0.35 -0.09 0.08 -0.10 0.00 0.00 175.22 175.43 1jdf s VAL 154 N -0.49 3.12 0.92 -0.44 1.01 0.23 -1.41 120.40 123.34 1jdf s VAL 154 Ca 0.40 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 1jdf s VAL 154 Cb -0.22 -2.37 0.14 0.00 0.00 0.00 0.00 36.38 33.93 1jdf s VAL 154 CO 0.26 0.48 1.09 -0.83 0.00 0.00 0.00 175.10 176.10 1jdf s GLY 155 N 1.00 1.61 -0.74 4.51 0.00 -0.18 -0.01 107.32 113.52 1jdf s GLY 155 Ca -0.01 -0.06 -0.24 0.00 0.00 0.00 0.00 44.72 44.41 1jdf s GLY 155 CO -0.01 0.44 1.11 0.21 0.00 0.00 0.00 173.10 174.86 1jdf s ASN 156 N -3.34 6.23 0.54 1.64 3.04 -1.26 -4.06 114.94 117.72 1jdf s ASN 156 Ca 0.64 -0.96 0.28 0.00 0.04 0.00 0.00 52.86 52.87 1jdf s ASN 156 Cb -0.19 -2.47 1.45 0.00 -1.54 0.00 0.00 41.25 38.50 1jdf s ASN 156 CO 0.57 -1.54 1.94 0.08 -3.04 0.00 0.00 177.10 175.12 1jdf h ARG 157 N 9.66 0.00 0.00 0.43 0.11 -1.92 0.22 114.38 122.88 1jdf h ARG 157 Ca -0.21 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.87 1jdf h ARG 157 Cb 1.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.14 1jdf h ARG 157 CO 1.22 0.00 0.00 1.63 0.10 0.00 0.00 179.97 182.92 1jdf n LYS 158 N -4.25 0.11 -0.01 0.08 5.02 -1.26 -1.49 118.16 116.36 1jdf n LYS 158 Ca 0.13 0.36 0.13 0.00 -2.02 0.00 0.00 58.31 56.92 1jdf n LYS 158 Cb 0.76 -1.72 0.64 0.00 -0.02 0.00 0.00 35.03 34.69 1jdf n LYS 158 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jdf n ALA 159 N -1.66 2.61 -2.29 7.82 0.00 0.76 -4.84 120.51 122.90 1jdf n ALA 159 Ca 0.02 -0.31 -0.15 0.00 0.00 0.00 0.00 53.44 53.00 1jdf n ALA 159 Cb 0.20 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.96 1.28 -2.55 0.00 -4.23 -0.55 -4.76 115.64 102.86 1jdf s THR 160 Ca 0.38 -2.06 0.24 0.00 -1.18 0.00 0.00 61.69 59.08 1jdf s THR 160 Cb 0.19 -1.85 0.42 0.00 1.34 0.00 0.00 72.50 72.60 1jdf s THR 160 CO 0.31 -0.69 1.53 -0.81 -0.54 0.00 0.00 174.62 174.41 1jdf n PRO 161 N -0.16 1.97 -2.04 3.99 -0.04 -1.26 -4.95 135.00 132.50 1jdf n PRO 161 Ca -0.10 -1.43 -0.38 0.00 -0.04 0.00 0.00 63.50 61.56 1jdf n PRO 161 Cb 0.60 -1.46 0.01 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.80 3.94 -1.16 1.53 1.43 -1.26 -4.92 118.68 116.44 1jdf s LEU 162 Ca 0.34 2.51 -0.08 0.00 -1.03 0.00 0.00 54.13 55.87 1jdf s LEU 162 Cb 0.20 -4.25 -0.12 0.00 0.03 0.00 0.00 46.19 42.05 1jdf s LEU 162 CO 0.30 -1.21 2.91 -0.81 0.23 0.00 0.00 176.35 177.78 1jdf n PRO 163 N -0.73 3.04 -2.34 1.29 -0.04 -1.26 -4.95 135.00 130.01 1jdf n PRO 163 Ca 0.09 -1.80 -0.41 0.00 -0.04 0.00 0.00 63.50 61.33 1jdf n PRO 163 Cb 0.47 -2.56 -0.03 0.00 -0.04 0.00 0.00 33.50 31.33 1jdf n PRO 163 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1jdf s TYR 164 N 2.15 3.39 1.05 0.54 1.51 -1.26 -4.88 117.35 119.85 1jdf s TYR 164 Ca 0.63 1.35 -0.13 0.00 -1.01 0.00 0.00 57.07 57.91 1jdf s TYR 164 Cb 0.19 -3.47 0.22 0.00 -0.11 0.00 0.00 41.96 38.79 1jdf s TYR 164 CO -0.04 -1.39 1.08 1.14 -1.11 0.00 0.00 175.55 175.22 1jdf s GLN 165 N 0.04 0.00 0.03 -0.62 -2.07 -1.26 -5.07 119.66 110.71 1jdf s GLN 165 Ca 0.55 0.57 -0.27 0.00 -1.82 0.00 0.00 55.36 54.39 1jdf s GLN 165 Cb -0.33 -1.68 0.09 0.00 -1.09 0.00 0.00 33.01 30.00 1jdf s GLN 165 CO 0.35 -3.03 0.84 -1.54 -1.32 0.00 0.00 175.29 170.59 1jdf s SER 166 N -3.22 -0.39 -0.39 12.60 1.04 -1.26 -4.90 113.70 117.19 1jdf s SER 166 Ca 0.66 -0.03 0.11 0.00 0.48 0.00 0.00 55.95 57.17 1jdf s SER 166 Cb -0.20 0.43 0.38 0.00 0.10 0.00 0.00 66.02 66.72 1jdf s SER 166 CO 0.59 -0.70 1.00 0.00 0.98 0.00 0.00 173.24 175.11 1jdf n GLN 167 N -0.28 1.07 0.30 4.02 6.02 -1.26 -5.01 117.38 122.23 1jdf n GLN 167 Ca -0.10 -2.70 0.15 0.00 -0.01 0.00 0.00 57.00 54.35 1jdf n GLN 167 Cb 0.62 -1.12 0.78 0.00 1.02 0.00 0.00 30.24 31.54 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 2.82 0.00 -0.09 -1.09 0.13 -1.90 -2.12 132.00 129.75 1jdf h PRO 168 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1jdf h PRO 168 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1jdf h PRO 168 CO 0.30 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.82 1jdf n ASP 169 N -2.98 2.00 -4.71 1.44 8.00 -1.26 -5.03 116.55 114.01 1jdf n ASP 169 Ca -0.01 -1.55 -0.42 0.00 0.71 0.00 0.00 54.79 53.52 1jdf n ASP 169 Cb 0.44 -0.05 -0.01 0.00 -0.02 0.00 0.00 41.12 41.48 1jdf n ASP 169 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1jdf n ASP 170 N 0.39 2.98 0.24 -2.24 2.03 -0.80 -4.87 116.55 114.28 1jdf n ASP 170 Ca 0.06 1.21 0.11 0.00 0.52 0.00 0.00 54.79 56.69 1jdf n ASP 170 Cb 0.26 -1.51 0.61 0.00 -0.72 0.00 0.00 41.12 39.76 1jdf n ASP 170 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1jdf h SER 171 N 2.76 0.00 -3.44 1.67 4.64 -1.96 -3.41 113.55 113.81 1jdf h SER 171 Ca -0.47 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.25 1jdf h SER 171 Cb 1.27 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.26 1jdf h SER 171 CO 0.64 0.18 0.45 0.00 -0.87 0.00 0.00 176.83 177.22 1jdf h ASP 173 N 8.17 -0.19 -0.31 0.00 3.45 -1.92 -1.88 116.42 123.75 1jdf h ASP 173 Ca -0.24 0.14 -0.01 0.00 0.43 0.00 0.00 57.03 57.36 1jdf h ASP 173 Cb 1.09 0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 40.09 1jdf h ASP 173 CO 0.91 -0.08 0.16 -0.25 -1.57 0.00 0.00 179.24 178.40 1jdf h TRP 174 N 0.16 0.43 0.00 4.55 2.91 -1.93 0.67 115.95 122.74 1jdf h TRP 174 Ca 0.33 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.30 1jdf h TRP 174 Cb 0.53 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.04 1jdf h TRP 174 CO -0.33 0.36 -0.19 1.88 -1.03 0.00 0.00 178.44 179.13 1jdf h TYR 175 N 0.37 0.00 0.03 2.65 0.05 -1.80 -2.37 116.97 115.90 1jdf h TYR 175 Ca 0.11 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.76 1jdf h TYR 175 Cb 0.08 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 1jdf h TYR 175 CO -0.03 0.19 -0.67 -0.09 -1.05 0.00 0.00 178.16 176.51 1jdf h ARG 176 N 0.00 0.05 0.00 4.88 2.43 -1.08 -3.38 114.38 117.28 1jdf h ARG 176 Ca -0.00 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 1jdf h ARG 176 Cb 0.36 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1jdf h ARG 176 CO 0.02 1.04 -0.12 -0.07 -1.51 0.00 0.00 179.97 179.34 1jdf h LEU 177 N -0.86 0.00 0.00 3.80 3.38 -0.86 -3.20 115.31 117.57 1jdf h LEU 177 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1jdf h LEU 177 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1jdf h LEU 177 CO -0.05 0.12 0.00 -2.11 0.09 0.00 0.00 178.44 176.48 1jdf n ARG 178 N -3.31 0.19 0.00 1.13 1.85 -0.90 -1.97 116.66 113.65 1jdf n ARG 178 Ca -0.00 0.16 0.03 0.00 -1.00 0.00 0.00 57.85 57.04 1jdf n ARG 178 Cb 0.34 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.26 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 -1.29 0.00 -3.90 2.89 8.25 -1.21 -4.77 115.22 115.19 1jdf n HIS 179 Ca 0.06 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.22 1jdf n HIS 179 Cb 0.11 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 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 -0.72 3.45 0.28 -0.41 0.41 -0.83 -4.73 118.70 116.15 1jdf s GLU 180 Ca 0.06 -0.42 -0.29 0.00 -0.41 0.00 0.00 54.97 53.90 1jdf s GLU 180 Cb 0.05 -3.02 -0.13 0.00 -1.78 0.00 0.00 34.13 29.24 1jdf s GLU 180 CO 0.11 0.59 1.21 -1.91 -0.49 0.00 0.00 175.26 174.77 1jdf n GLU 181 N 0.22 1.75 -3.37 1.61 2.13 -1.26 -4.74 120.64 116.98 1jdf n GLU 181 Ca -0.05 0.62 -0.16 0.00 0.66 0.00 0.00 57.16 58.22 1jdf n GLU 181 Cb 0.51 -2.13 -0.08 0.00 0.27 0.00 0.00 31.44 30.01 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 -0.76 -0.50 -0.05 4.31 0.00 0.99 -4.90 121.76 120.84 1jdf s ALA 182 Ca 0.61 -0.62 0.08 0.00 0.00 0.00 0.00 51.96 52.03 1jdf s ALA 182 Cb -0.66 -1.95 0.12 0.00 0.00 0.00 0.00 23.12 20.63 1jdf s ALA 182 CO 0.58 -1.94 1.01 -1.33 0.00 0.00 0.00 175.76 174.08 1jdf n MET 183 N 4.76 1.68 -4.20 0.00 2.81 -1.26 -0.60 117.12 120.31 1jdf n MET 183 Ca 0.05 -1.78 -0.12 0.00 -1.81 0.00 0.00 57.70 54.04 1jdf n MET 183 Cb 0.46 -1.10 -0.10 0.00 -0.71 0.00 0.00 33.22 31.77 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 -1.56 0.77 0.24 2.03 -4.23 -1.26 -5.04 115.64 106.59 1jdf s THR 184 Ca 0.13 -1.97 -0.05 0.00 -1.18 0.00 0.00 61.69 58.62 1jdf s THR 184 Cb 0.11 -1.81 0.21 0.00 1.34 0.00 0.00 72.50 72.36 1jdf s THR 184 CO 0.01 -0.77 1.84 -0.65 -0.54 0.00 0.00 174.62 174.52 1jdf h PRO 185 N 2.88 0.90 -0.57 3.99 0.11 -1.92 -0.70 132.00 136.69 1jdf h PRO 185 Ca -0.36 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.72 1jdf h PRO 185 Cb 1.18 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 1jdf h PRO 185 CO 0.64 0.60 0.35 -0.44 -0.21 0.00 0.00 178.00 178.93 1jdf h ASP 186 N 0.93 0.56 -0.39 -2.05 5.19 -1.96 0.78 116.42 119.48 1jdf h ASP 186 Ca 0.37 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.70 1jdf h ASP 186 Cb 0.20 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 1jdf h ASP 186 CO -0.18 0.39 -0.07 0.00 -3.12 0.00 0.00 179.24 176.26 1jdf h ALA 187 N 1.25 1.00 -0.37 3.45 0.00 -1.76 -1.03 119.26 121.79 1jdf h ALA 187 Ca 0.23 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1jdf h ALA 187 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1jdf h ALA 187 CO -0.10 0.60 -0.33 0.28 0.00 0.00 0.00 179.25 179.71 1jdf h VAL 188 N 0.75 1.28 -0.48 0.00 2.07 -0.64 -1.86 116.25 117.37 1jdf h VAL 188 Ca 0.13 -1.49 -0.09 0.00 0.82 0.00 0.00 66.70 66.07 1jdf h VAL 188 Cb 0.56 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1jdf h VAL 188 CO 0.03 0.49 -0.06 0.58 0.02 0.00 0.00 177.57 178.64 1jdf h VAL 189 N 0.70 1.25 -0.58 2.57 2.07 -0.62 -0.98 116.25 120.66 1jdf h VAL 189 Ca 0.07 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.48 1jdf h VAL 189 Cb 0.88 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1jdf h VAL 189 CO 0.08 0.39 0.38 -0.09 0.02 0.00 0.00 177.57 178.35 1jdf h ARG 190 N 0.76 0.75 -0.69 1.57 2.43 -0.96 0.13 114.38 118.37 1jdf h ARG 190 Ca 0.14 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1jdf h ARG 190 Cb 0.55 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1jdf h ARG 190 CO 0.03 0.49 0.25 -0.07 -1.51 0.00 0.00 179.97 179.16 1jdf h LEU 191 N 0.77 0.98 -0.81 3.80 3.38 -0.90 -1.10 115.31 121.42 1jdf h LEU 191 Ca 0.22 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1jdf h LEU 191 Cb -0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 1jdf h LEU 191 CO -0.06 0.90 -0.26 0.00 0.09 0.00 0.00 178.44 179.11 1jdf h ALA 192 N 1.11 0.98 -0.37 1.53 0.00 -0.54 0.98 119.26 122.96 1jdf h ALA 192 Ca 0.23 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1jdf h ALA 192 Cb 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1jdf h ALA 192 CO -0.01 0.60 -0.11 0.93 0.00 0.00 0.00 179.25 180.65 1jdf h GLU 193 N 0.52 0.72 -0.48 0.00 5.08 -0.46 -0.51 114.58 119.45 1jdf h GLU 193 Ca 0.07 -0.29 -0.12 0.00 -1.00 0.00 0.00 59.36 58.02 1jdf h GLU 193 Cb 0.73 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1jdf h GLU 193 CO 0.06 0.89 -0.17 0.00 -1.00 0.00 0.00 179.01 178.79 1jdf h ALA 194 N 0.81 0.79 -0.40 3.43 0.00 -1.04 -1.98 119.26 120.89 1jdf h ALA 194 Ca 0.09 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1jdf h ALA 194 Cb 0.64 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1jdf h ALA 194 CO 0.04 0.66 -0.09 0.00 0.00 0.00 0.00 179.25 179.86 1jdf h ALA 195 N 0.98 1.09 -0.35 0.00 0.00 -0.70 -2.57 119.26 117.70 1jdf h ALA 195 Ca 0.12 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1jdf h ALA 195 Cb 0.72 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1jdf h ALA 195 CO 0.06 0.56 -0.15 -0.92 0.00 0.00 0.00 179.25 178.80 1jdf h TYR 196 N 0.64 0.83 -0.71 0.00 3.20 -0.78 -0.42 116.97 119.73 1jdf h TYR 196 Ca 0.11 -0.20 -0.02 0.00 3.14 0.00 0.00 58.73 61.76 1jdf h TYR 196 Cb 0.53 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 1jdf h TYR 196 CO 0.02 0.91 0.36 1.49 -1.64 0.00 0.00 178.16 179.31 1jdf h GLU 197 N 0.51 1.00 0.03 1.82 4.81 -1.27 0.50 114.58 121.99 1jdf h GLU 197 Ca 0.08 -0.13 -0.21 0.00 -0.13 0.00 0.00 59.36 58.97 1jdf h GLU 197 Cb 0.68 -0.19 0.02 0.00 0.63 0.00 0.00 28.75 29.89 1jdf h GLU 197 CO 0.05 0.77 -0.83 -0.22 -0.73 0.00 0.00 179.01 178.05 1jdf h LYS 198 N 0.98 0.51 -0.00 1.92 1.63 -1.41 -3.39 116.57 116.81 1jdf h LYS 198 Ca 0.25 -0.58 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 1jdf h LYS 198 Cb 0.08 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1jdf h LYS 198 CO -0.04 1.21 -0.22 0.66 -3.45 0.00 0.00 179.45 177.62 1jdf n TYR 199 N -4.06 0.00 -2.40 1.91 4.02 -0.17 -4.94 117.16 111.51 1jdf n TYR 199 Ca -0.11 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.63 1jdf n TYR 199 Cb 0.79 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.11 1jdf n TYR 199 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jdf n GLY 200 N 1.05 -0.22 3.75 2.72 0.00 0.18 -0.77 105.19 111.91 1jdf n GLY 200 Ca 0.01 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 1jdf n GLY 200 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jdf n PHE 201 N -4.04 2.52 -0.09 1.61 3.72 -1.26 -2.45 117.46 117.46 1jdf n PHE 201 Ca -0.15 0.44 -0.10 0.00 -0.05 0.00 0.00 57.45 57.59 1jdf n PHE 201 Cb 0.62 -2.42 -0.14 0.00 -0.94 0.00 0.00 39.48 36.60 1jdf n PHE 201 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1jdf n ASN 202 N -0.38 0.84 -4.59 4.37 3.02 -1.26 -4.89 115.26 112.37 1jdf n ASN 202 Ca 0.07 -0.02 -0.31 0.00 -0.03 0.00 0.00 54.58 54.29 1jdf n ASN 202 Cb 0.42 0.72 -0.10 0.00 -0.61 0.00 0.00 39.78 40.21 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 -5.38 4.50 0.04 6.41 -0.00 -1.26 -3.77 116.67 117.20 1jdf s ASP 203 Ca -0.13 -0.28 0.02 0.00 -0.00 0.00 0.00 52.55 52.17 1jdf s ASP 203 Cb 0.06 -0.95 -0.02 0.00 -0.00 0.00 0.00 42.92 42.01 1jdf s ASP 203 CO 0.70 0.22 -0.07 -0.36 -0.00 0.00 0.00 175.17 175.66 1jdf s PHE 204 N -1.12 0.62 -0.03 4.23 0.08 -0.47 -0.53 117.98 120.76 1jdf s PHE 204 Ca 0.20 -0.46 0.03 0.00 0.12 0.00 0.00 56.93 56.83 1jdf s PHE 204 Cb -0.11 -0.38 -0.00 0.00 -0.57 0.00 0.00 43.02 41.96 1jdf s PHE 204 CO 0.11 -0.08 -0.13 0.21 -0.10 0.00 0.00 175.22 175.24 1jdf s LYS 205 N -1.41 1.23 -0.11 0.44 2.20 -0.34 -2.43 119.74 119.32 1jdf s LYS 205 Ca -0.09 -0.44 0.01 0.00 -0.36 0.00 0.00 55.97 55.09 1jdf s LYS 205 Cb -0.09 -1.13 -0.01 0.00 -1.51 0.00 0.00 37.83 35.09 1jdf s LYS 205 CO 0.00 0.20 -0.16 -1.17 -0.36 0.00 0.00 175.35 173.86 1jdf s LEU 206 N 0.02 2.55 -0.22 5.43 2.96 -0.50 0.66 118.68 129.58 1jdf s LEU 206 Ca -0.01 -0.38 -0.29 0.00 -0.22 0.00 0.00 54.13 53.23 1jdf s LEU 206 Cb -0.09 -1.55 -0.00 0.00 0.50 0.00 0.00 46.19 45.05 1jdf s LEU 206 CO 0.01 0.18 1.20 -0.75 -1.32 0.00 0.00 176.35 175.66 1jdf s LYS 207 N 0.25 4.17 0.00 1.98 2.47 -0.47 -1.48 119.74 126.66 1jdf s LYS 207 Ca -0.11 1.46 0.00 0.00 -1.56 0.00 0.00 55.97 55.76 1jdf s LYS 207 Cb -0.16 -3.75 0.00 0.00 -1.46 0.00 0.00 37.83 32.46 1jdf s LYS 207 CO 0.06 -0.78 0.00 0.41 0.16 0.00 0.00 175.35 175.21 1jdf n GLY 208 N 3.68 2.61 2.19 5.54 0.00 0.11 -4.45 105.19 114.86 1jdf n GLY 208 Ca 0.13 -2.00 -0.07 0.00 0.00 0.00 0.00 46.02 44.08 1jdf n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdf n GLY 209 N 5.00 0.73 0.69 -0.02 0.00 -1.26 -4.14 105.19 106.19 1jdf n GLY 209 Ca 0.00 -0.70 -0.07 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.07 0.96 -3.62 1.61 0.31 -1.26 -1.85 118.33 111.41 1jdf n VAL 210 Ca -0.07 0.08 -0.21 0.00 -0.01 0.00 0.00 64.34 64.13 1jdf n VAL 210 Cb 0.31 -1.76 0.02 0.00 -0.91 0.00 0.00 33.84 31.49 1jdf n VAL 210 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1jdf n LEU 211 N -3.66 0.00 -4.76 7.52 4.77 -1.26 -1.16 117.00 118.44 1jdf n LEU 211 Ca -0.13 -2.45 -0.41 0.00 -0.03 0.00 0.00 56.01 52.99 1jdf n LEU 211 Cb 0.42 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 1jdf n LEU 211 CO 0.04 -0.59 1.13 0.00 -1.33 0.00 0.00 177.39 176.65 1jdf s ALA 212 N -2.68 3.61 0.32 -1.18 0.00 -1.26 -4.76 121.76 115.81 1jdf s ALA 212 Ca 0.35 1.47 0.09 0.00 0.00 0.00 0.00 51.96 53.87 1jdf s ALA 212 Cb -0.03 -3.59 0.88 0.00 0.00 0.00 0.00 23.12 20.38 1jdf s ALA 212 CO 0.22 -0.91 1.73 0.78 0.00 0.00 0.00 175.76 177.59 1jdf h GLY 213 N 3.91 1.91 1.80 0.00 0.00 -1.98 0.37 103.07 109.07 1jdf h GLY 213 Ca -0.49 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 46.49 1jdf h GLY 213 CO 0.71 -0.23 -0.05 1.05 0.00 0.00 0.00 176.54 178.01 1jdf h GLU 214 N 0.59 0.26 0.09 4.80 -0.00 -1.98 -0.54 114.58 117.80 1jdf h GLU 214 Ca 0.64 -0.05 -0.24 0.00 -0.00 0.00 0.00 59.36 59.71 1jdf h GLU 214 Cb 1.21 -0.04 0.02 0.00 -0.00 0.00 0.00 28.75 29.94 1jdf h GLU 214 CO -0.47 0.33 -1.00 1.49 -0.00 0.00 0.00 179.01 179.36 1jdf h GLU 215 N 0.25 0.52 0.00 1.06 4.81 -0.66 -3.17 114.58 117.39 1jdf h GLU 215 Ca 0.06 -0.68 -0.03 0.00 -0.13 0.00 0.00 59.36 58.58 1jdf h GLU 215 Cb 0.26 0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1jdf h GLU 215 CO 0.01 1.29 -0.15 0.93 -0.73 0.00 0.00 179.01 180.36 1jdf h GLU 216 N 0.07 0.00 -0.26 1.92 5.08 -0.92 -2.18 114.58 118.28 1jdf h GLU 216 Ca -0.15 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 1jdf h GLU 216 Cb 1.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.94 1jdf h GLU 216 CO 0.19 0.15 -0.14 0.00 -1.00 0.00 0.00 179.01 178.21 1jdf h ALA 217 N 1.85 1.27 -0.22 3.43 0.00 -1.08 -2.59 119.26 121.92 1jdf h ALA 217 Ca -0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1jdf h ALA 217 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1jdf h ALA 217 CO 0.02 0.48 -0.22 0.93 0.00 0.00 0.00 179.25 180.46 1jdf h GLU 218 N 0.41 0.40 -0.53 0.00 4.39 -1.42 -1.90 114.58 115.94 1jdf h GLU 218 Ca 0.08 -0.14 -0.08 0.00 0.34 0.00 0.00 59.36 59.56 1jdf h GLU 218 Cb 0.50 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1jdf h GLU 218 CO 0.03 0.61 0.00 0.77 -1.16 0.00 0.00 179.01 179.26 1jdf h SER 219 N 0.37 0.88 -0.36 1.42 0.02 -1.51 -0.45 113.55 113.92 1jdf h SER 219 Ca 0.06 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.74 1jdf h SER 219 Cb 0.59 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1jdf h SER 219 CO 0.04 0.94 0.08 0.40 -1.14 0.00 0.00 176.83 177.15 1jdf h ILE 220 N 0.84 1.23 -0.76 3.27 1.08 -1.25 0.26 117.51 122.17 1jdf h ILE 220 Ca 0.16 -0.79 -0.02 0.00 -0.39 0.00 0.00 64.86 63.82 1jdf h ILE 220 Cb 0.50 1.05 -0.04 0.00 -3.07 0.00 0.00 36.82 35.26 1jdf h ILE 220 CO 0.02 0.27 0.40 0.58 -0.69 0.00 0.00 178.15 178.73 1jdf h VAL 221 N 0.44 1.24 -0.44 1.67 2.07 -1.09 0.13 116.25 120.26 1jdf h VAL 221 Ca 0.11 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 1jdf h VAL 221 Cb 0.32 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1jdf h VAL 221 CO 0.00 0.27 0.14 0.00 0.02 0.00 0.00 177.57 178.00 1jdf h ALA 222 N 1.20 0.58 -0.49 1.67 0.00 -0.82 -1.56 119.26 119.84 1jdf h ALA 222 Ca 0.27 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1jdf h ALA 222 Cb 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1jdf h ALA 222 CO -0.04 0.23 0.13 -0.07 0.00 0.00 0.00 179.25 179.50 1jdf h LEU 223 N 0.58 0.74 -1.12 0.00 3.38 -0.57 -0.89 115.31 117.43 1jdf h LEU 223 Ca 0.14 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1jdf h LEU 223 Cb 0.27 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1jdf h LEU 223 CO -0.00 0.77 -0.07 0.00 0.09 0.00 0.00 178.44 179.23 1jdf h ALA 224 N 1.00 1.28 -0.15 1.53 0.00 -0.88 0.35 119.26 122.37 1jdf h ALA 224 Ca 0.16 -0.24 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 1jdf h ALA 224 Cb 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1jdf h ALA 224 CO 0.00 0.48 -0.72 1.96 0.00 0.00 0.00 179.25 180.97 1jdf h GLN 225 N 0.50 0.69 -0.11 0.00 4.20 -1.06 -2.17 115.11 117.16 1jdf h GLN 225 Ca 0.10 -0.54 -0.15 0.00 0.06 0.00 0.00 58.65 58.12 1jdf h GLN 225 Cb 0.43 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1jdf h GLN 225 CO 0.02 1.16 -0.59 -0.09 -0.67 0.00 0.00 178.83 178.65 1jdf h ARG 226 N 0.48 0.36 -2.57 1.46 9.65 -0.74 -3.36 114.38 119.66 1jdf h ARG 226 Ca -0.04 -0.24 -0.60 0.00 -1.10 0.00 0.00 59.98 58.00 1jdf h ARG 226 Cb 1.33 0.03 -0.41 0.00 -1.39 0.00 0.00 29.97 29.54 1jdf h ARG 226 CO 0.14 0.85 -0.74 1.19 2.80 0.00 0.00 179.97 184.21 1jdf n PHE 227 N -3.90 1.95 0.28 2.20 3.01 0.12 -4.97 117.46 116.15 1jdf n PHE 227 Ca -0.03 -3.96 0.18 0.00 1.01 0.00 0.00 57.45 54.66 1jdf n PHE 227 Cb 0.62 -0.37 0.97 0.00 -0.01 0.00 0.00 39.48 40.68 1jdf n PHE 227 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1jdf h PRO 228 N 4.98 0.00 -0.02 -1.08 0.13 -1.55 -2.18 132.00 132.29 1jdf h PRO 228 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1jdf h PRO 228 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1jdf h PRO 228 CO 0.64 0.00 -0.27 1.04 -0.23 0.00 0.00 178.00 179.18 1jdf n GLN 229 N -3.45 1.62 -2.80 0.86 3.00 -1.26 -4.99 117.38 110.36 1jdf n GLN 229 Ca -0.01 -1.31 -0.37 0.00 -0.01 0.00 0.00 57.00 55.30 1jdf n GLN 229 Cb 0.21 -1.47 -0.06 0.00 0.00 0.00 0.00 30.24 28.91 1jdf n GLN 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jdf s ALA 230 N -2.28 3.24 -0.14 -1.58 0.00 -0.82 -4.97 121.76 115.20 1jdf s ALA 230 Ca 0.23 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.48 1jdf s ALA 230 Cb 0.19 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 1jdf s ALA 230 CO 0.46 0.19 0.66 1.03 0.00 0.00 0.00 175.76 178.10 1jdf s ARG 231 N -1.95 4.31 0.04 0.00 0.52 -1.25 -4.91 118.95 115.70 1jdf s ARG 231 Ca 0.49 0.73 0.05 0.00 -0.52 0.00 0.00 55.73 56.47 1jdf s ARG 231 Cb -0.19 -3.52 -0.02 0.00 0.52 0.00 0.00 34.95 31.74 1jdf s ARG 231 CO 0.24 -0.11 -0.13 0.42 0.02 0.00 0.00 175.30 175.74 1jdf s ILE 232 N 1.45 1.06 0.07 1.52 1.01 -1.26 -1.37 121.20 123.67 1jdf s ILE 232 Ca 0.32 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 1jdf s ILE 232 Cb -0.16 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 1jdf s ILE 232 CO 0.13 -0.03 0.02 0.28 0.00 0.00 0.00 174.94 175.34 1jdf s THR 233 N -0.88 0.19 -0.04 2.92 -1.32 -1.02 -0.09 115.64 115.41 1jdf s THR 233 Ca 0.01 -1.73 0.05 0.00 -1.21 0.00 0.00 61.69 58.81 1jdf s THR 233 Cb -0.08 -1.56 -0.01 0.00 -1.51 0.00 0.00 72.50 69.34 1jdf s THR 233 CO 0.01 -0.88 -0.20 -0.22 -2.21 0.00 0.00 174.62 171.13 1jdf s LEU 234 N -2.93 1.98 -0.36 9.08 2.96 -1.26 -1.41 118.68 126.74 1jdf s LEU 234 Ca 0.09 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1jdf s LEU 234 Cb 0.07 -1.09 0.11 0.00 0.50 0.00 0.00 46.19 45.78 1jdf s LEU 234 CO -0.09 0.20 0.11 -0.62 -1.32 0.00 0.00 176.35 174.63 1jdf s ASP 235 N -0.14 4.39 0.00 3.68 3.68 -0.55 -2.93 116.67 124.80 1jdf s ASP 235 Ca -0.01 -2.14 0.12 0.00 2.13 0.00 0.00 52.55 52.65 1jdf s ASP 235 Cb -0.11 -1.35 0.34 0.00 -1.45 0.00 0.00 42.92 40.36 1jdf s ASP 235 CO 0.02 -0.36 1.28 -0.81 0.13 0.00 0.00 175.17 175.43 1jdf n PRO 236 N 4.23 1.87 -3.93 4.34 -0.04 -1.25 0.04 135.00 140.26 1jdf n PRO 236 Ca 0.03 -1.35 -0.27 0.00 -0.04 0.00 0.00 63.50 61.87 1jdf n PRO 236 Cb 0.40 -1.30 -0.00 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 0.60 -1.65 -0.35 3.54 4.13 -1.21 -1.79 115.26 118.52 1jdf n ASN 237 Ca 0.13 -0.93 -0.05 0.00 1.68 0.00 0.00 54.58 55.41 1jdf n ASN 237 Cb 0.32 -3.36 -0.02 0.00 -1.54 0.00 0.00 39.78 35.18 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 -1.76 0.60 0.28 7.41 0.00 0.25 -4.91 105.19 107.06 1jdf n GLY 238 Ca -0.20 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.64 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 1.03 -2.31 4.61 0.00 -1.49 -3.25 119.26 117.85 1jdf h ALA 239 Ca -0.09 -0.30 -0.47 0.00 0.00 0.00 0.00 54.91 54.05 1jdf h ALA 239 Cb 0.72 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1jdf h ALA 239 CO 0.14 0.59 0.38 -1.58 0.00 0.00 0.00 179.25 178.78 1jdf s TRP 240 N -4.85 3.16 0.85 0.00 0.51 -1.19 -4.26 118.94 113.16 1jdf s TRP 240 Ca -0.09 1.61 -0.12 0.00 -2.12 0.00 0.00 56.10 55.38 1jdf s TRP 240 Cb 0.14 -3.02 0.10 0.00 -0.81 0.00 0.00 33.47 29.88 1jdf s TRP 240 CO 0.82 -0.56 1.11 -1.54 -0.51 0.00 0.00 176.95 176.26 1jdf s SER 241 N -1.92 4.03 0.20 2.95 1.04 -1.26 -4.12 113.70 114.62 1jdf s SER 241 Ca 0.63 1.22 -0.11 0.00 0.48 0.00 0.00 55.95 58.17 1jdf s SER 241 Cb -0.16 -1.90 0.20 0.00 0.10 0.00 0.00 66.02 64.25 1jdf s SER 241 CO 0.20 -2.25 1.79 0.25 0.98 0.00 0.00 173.24 174.21 1jdf h LEU 242 N -1.29 0.42 -0.46 2.42 5.85 -1.92 0.28 115.31 120.61 1jdf h LEU 242 Ca -0.49 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.22 1jdf h LEU 242 Cb 1.29 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1jdf h LEU 242 CO 0.59 0.28 0.09 0.78 -0.34 0.00 0.00 178.44 179.84 1jdf h ASN 243 N 0.56 0.72 -0.68 1.25 -0.26 -1.99 0.14 115.58 115.31 1jdf h ASN 243 Ca 0.26 -0.25 -0.04 0.00 -0.56 0.00 0.00 56.30 55.71 1jdf h ASN 243 Cb 0.19 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.23 1jdf h ASN 243 CO -0.19 0.78 0.27 -0.33 -1.06 0.00 0.00 177.43 176.91 1jdf h GLU 244 N 0.62 1.02 -0.56 0.81 5.08 -1.86 -1.87 114.58 117.81 1jdf h GLU 244 Ca 0.14 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1jdf h GLU 244 Cb 0.36 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1jdf h GLU 244 CO 0.01 0.85 0.15 0.00 -1.00 0.00 0.00 179.01 179.02 1jdf h ALA 245 N 1.12 0.74 -0.66 3.43 0.00 -0.61 -1.38 119.26 121.90 1jdf h ALA 245 Ca 0.23 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1jdf h ALA 245 Cb 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1jdf h ALA 245 CO -0.02 0.42 0.19 0.82 0.00 0.00 0.00 179.25 180.67 1jdf h ILE 246 N 0.79 1.25 0.09 0.00 2.04 -0.57 0.16 117.51 121.27 1jdf h ILE 246 Ca 0.18 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 1jdf h ILE 246 Cb 0.32 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1jdf h ILE 246 CO -0.00 0.34 -0.04 0.50 0.00 0.00 0.00 178.15 178.95 1jdf h LYS 247 N 0.96 -0.11 -0.64 2.37 3.64 -1.08 -0.71 116.57 121.00 1jdf h LYS 247 Ca 0.21 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.52 1jdf h LYS 247 Cb 0.32 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1jdf h LYS 247 CO -0.00 0.00 0.09 0.82 -2.27 0.00 0.00 179.45 178.09 1jdf h ILE 248 N -0.20 1.26 -0.82 2.00 2.04 -1.15 -1.99 117.51 118.66 1jdf h ILE 248 Ca -0.01 -1.04 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 1jdf h ILE 248 Cb 0.16 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1jdf h ILE 248 CO 0.02 0.39 0.35 1.23 0.00 0.00 0.00 178.15 180.14 1jdf h GLY 249 N 0.98 1.30 1.14 5.37 0.00 -0.54 -0.39 103.07 110.92 1jdf h GLY 249 Ca 0.19 -0.69 -0.13 0.00 0.00 0.00 0.00 47.33 46.71 1jdf h GLY 249 CO 0.01 0.65 -0.20 0.50 0.00 0.00 0.00 176.54 177.50 1jdf h LYS 250 N 1.18 0.99 -0.73 4.80 1.57 -0.99 -1.41 116.57 121.98 1jdf h LYS 250 Ca 0.28 -0.41 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1jdf h LYS 250 Cb 0.19 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1jdf h LYS 250 CO -0.03 1.09 0.32 -0.92 -0.57 0.00 0.00 179.45 179.34 1jdf h TYR 251 N 0.85 1.07 -0.57 -1.35 5.03 -0.96 -2.73 116.97 118.31 1jdf h TYR 251 Ca 0.11 -0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1jdf h TYR 251 Cb 0.78 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 38.73 1jdf h TYR 251 CO 0.05 0.79 0.00 1.28 -1.32 0.00 0.00 178.16 178.96 1jdf n LEU 252 N -4.31 3.27 -0.35 2.82 4.77 -0.19 -4.65 117.00 118.37 1jdf n LEU 252 Ca 0.07 -1.64 0.04 0.00 -0.03 0.00 0.00 56.01 54.45 1jdf n LEU 252 Cb 0.16 -0.41 0.12 0.00 -2.33 0.00 0.00 43.42 40.95 1jdf n LEU 252 CO 0.39 0.76 0.66 0.50 -1.33 0.00 0.00 177.39 178.37 1jdf h LYS 253 N 3.39 -0.00 -0.14 3.23 1.63 -0.93 0.36 116.57 124.12 1jdf h LYS 253 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1jdf h LYS 253 Cb 0.86 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.49 1jdf h LYS 253 CO 0.04 -0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.44 1jdf n GLY 254 N -1.58 -0.00 0.06 5.01 0.00 -1.26 -4.02 105.19 103.40 1jdf n GLY 254 Ca 0.14 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 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 0.07 1.92 -4.86 1.61 7.64 0.12 -5.01 113.62 115.11 1jdf n SER 255 Ca 0.15 -0.01 -0.36 0.00 1.01 0.00 0.00 58.87 59.66 1jdf n SER 255 Cb 0.26 0.74 -0.06 0.00 -1.01 0.00 0.00 64.21 64.14 1jdf n SER 255 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1jdf s LEU 256 N -5.01 4.39 0.05 -3.43 1.43 -0.57 -4.48 118.68 111.06 1jdf s LEU 256 Ca -0.07 0.82 0.13 0.00 -1.03 0.00 0.00 54.13 53.97 1jdf s LEU 256 Cb 0.04 -2.79 -0.17 0.00 0.03 0.00 0.00 46.19 43.30 1jdf s LEU 256 CO 0.51 0.24 0.90 0.00 0.23 0.00 0.00 176.35 178.23 1jdf h ALA 257 N 4.12 0.65 -2.01 4.21 0.00 -0.84 -3.47 119.26 121.92 1jdf h ALA 257 Ca -0.50 -1.10 0.19 0.00 0.00 0.00 0.00 54.91 53.50 1jdf h ALA 257 Cb 1.20 0.25 -0.14 0.00 0.00 0.00 0.00 17.79 19.11 1jdf h ALA 257 CO 0.64 1.25 0.60 1.52 0.00 0.00 0.00 179.25 183.27 1jdf s TYR 258 N -2.74 -0.20 -0.17 0.00 1.13 -1.24 -4.48 117.35 109.66 1jdf s TYR 258 Ca -0.02 0.04 -0.01 0.00 -1.41 0.00 0.00 57.07 55.67 1jdf s TYR 258 Cb 0.09 0.56 -0.01 0.00 -1.10 0.00 0.00 41.96 41.50 1jdf s TYR 258 CO 0.81 -0.51 -0.12 0.00 -2.51 0.00 0.00 175.55 173.22 1jdf s ALA 259 N -2.92 2.60 -0.24 9.51 0.00 -0.21 -4.27 121.76 126.23 1jdf s ALA 259 Ca 0.09 -1.04 -0.13 0.00 0.00 0.00 0.00 51.96 50.87 1jdf s ALA 259 Cb -0.00 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 1jdf s ALA 259 CO -0.04 -0.08 0.30 -2.00 0.00 0.00 0.00 175.76 173.93 1jdf s GLU 260 N 0.89 4.08 -1.03 0.00 2.12 -1.15 -0.80 118.70 122.80 1jdf s GLU 260 Ca -0.03 -0.04 -0.21 0.00 0.36 0.00 0.00 54.97 55.05 1jdf s GLU 260 Cb -0.15 -3.58 0.03 0.00 0.26 0.00 0.00 34.13 30.69 1jdf s GLU 260 CO -0.00 -0.09 0.39 -0.25 -0.54 0.00 0.00 175.26 174.77 1jdf n ASP 261 N 4.71 -2.15 0.21 -1.70 8.00 -0.24 -3.85 116.55 121.52 1jdf n ASP 261 Ca -0.11 -1.03 0.04 0.00 0.71 0.00 0.00 54.79 54.40 1jdf n ASP 261 Cb 0.51 -1.24 0.44 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 -1.38 0.00 -3.86 -0.24 0.13 -1.87 0.73 132.00 125.52 1jdf h PRO 262 Ca -0.55 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.43 1jdf h PRO 262 Cb 1.10 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.15 1jdf h PRO 262 CO 0.45 0.26 -0.16 0.00 -0.23 0.00 0.00 178.00 178.32 1jdf n GLY 264 N -0.45 4.41 3.67 0.00 0.00 -1.23 -4.52 105.19 107.08 1jdf n GLY 264 Ca -0.01 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 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 0.92 -3.61 4.61 0.00 -1.26 -4.61 120.51 113.55 1jdf n ALA 265 Ca 0.00 0.28 -0.05 0.00 0.00 0.00 0.00 53.44 53.67 1jdf n ALA 265 Cb 0.00 -2.20 -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 -2.05 0.26 -1.27 0.00 -1.05 -0.75 -4.91 118.70 108.94 1jdf s GLU 266 Ca 0.60 0.01 -0.04 0.00 -0.15 0.00 0.00 54.97 55.39 1jdf s GLU 266 Cb -0.54 0.12 0.03 0.00 -0.44 0.00 0.00 34.13 33.30 1jdf s GLU 266 CO 0.59 -0.09 0.29 1.04 0.95 0.00 0.00 175.26 178.03 1jdf n GLN 267 N 0.41 -3.10 -0.37 -4.83 6.02 -1.26 -1.05 117.38 113.19 1jdf n GLN 267 Ca -0.03 0.63 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 1jdf n GLN 267 Cb 0.58 -5.32 0.00 0.00 1.02 0.00 0.00 30.24 26.53 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 -1.08 1.40 3.89 1.08 0.00 -1.26 -5.03 105.19 104.18 1jdf n GLY 268 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.05 3.57 0.83 1.61 0.08 -0.22 -5.09 117.98 115.70 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 0.09 0.00 -0.57 0.00 0.00 43.02 40.58 1jdf s PHE 269 CO 0.00 0.62 1.12 -1.54 -0.10 0.00 0.00 175.22 175.32 1jdf s SER 270 N -1.76 4.26 0.44 1.36 1.04 -1.26 -1.81 113.70 115.97 1jdf s SER 270 Ca 0.28 1.11 0.12 0.00 0.48 0.00 0.00 55.95 57.93 1jdf s SER 270 Cb -0.13 -1.77 0.98 0.00 0.10 0.00 0.00 66.02 65.20 1jdf s SER 270 CO 0.17 -2.09 2.03 1.23 0.98 0.00 0.00 173.24 175.55 1jdf h GLY 271 N -1.18 0.21 1.18 7.32 0.00 -1.91 -0.67 103.07 108.02 1jdf h GLY 271 Ca -0.48 -0.10 -0.16 0.00 0.00 0.00 0.00 47.33 46.59 1jdf h GLY 271 CO 0.61 0.09 -0.39 3.21 0.00 0.00 0.00 176.54 180.07 1jdf h ARG 272 N 0.19 0.90 -0.38 4.80 3.08 -1.92 0.11 114.38 121.16 1jdf h ARG 272 Ca 0.05 -0.47 -0.11 0.00 0.07 0.00 0.00 59.98 59.51 1jdf h ARG 272 Cb 0.16 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1jdf h ARG 272 CO 0.00 1.12 -0.20 0.93 -1.07 0.00 0.00 179.97 180.75 1jdf h GLU 273 N 0.73 0.80 -0.21 0.04 5.08 -1.78 -2.24 114.58 117.00 1jdf h GLU 273 Ca 0.06 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 58.00 1jdf h GLU 273 Cb 0.98 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1jdf h GLU 273 CO 0.09 0.99 -0.10 0.28 -1.00 0.00 0.00 179.01 179.28 1jdf h VAL 274 N 0.60 1.30 -0.49 3.13 2.07 -1.06 -2.76 116.25 119.04 1jdf h VAL 274 Ca 0.08 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1jdf h VAL 274 Cb 0.76 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1jdf h VAL 274 CO 0.06 0.35 0.31 0.24 0.02 0.00 0.00 177.57 178.55 1jdf h MET 275 N 0.15 0.65 -0.43 1.57 2.86 -0.80 -0.14 114.93 118.79 1jdf h MET 275 Ca 0.05 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1jdf h MET 275 Cb 0.59 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1jdf h MET 275 CO 0.03 0.45 -0.07 0.00 1.06 0.00 0.00 176.91 178.37 1jdf h ALA 276 N 1.67 1.07 -0.36 6.32 0.00 -1.30 0.57 119.26 127.24 1jdf h ALA 276 Ca 0.18 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1jdf h ALA 276 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1jdf h ALA 276 CO -0.04 0.58 -0.33 0.93 0.00 0.00 0.00 179.25 180.39 1jdf h GLU 277 N 0.68 0.85 -0.28 0.00 5.08 -0.95 -1.30 114.58 118.67 1jdf h GLU 277 Ca 0.12 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1jdf h GLU 277 Cb 0.53 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1jdf h GLU 277 CO 0.03 1.08 0.18 0.35 -1.00 0.00 0.00 179.01 179.65 1jdf h PHE 278 N 0.64 0.35 -0.19 4.33 3.04 -0.76 -0.64 116.94 123.73 1jdf h PHE 278 Ca 0.06 0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.04 1jdf h PHE 278 Cb 0.91 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.28 1jdf h PHE 278 CO 0.07 0.24 0.03 -0.09 -2.02 0.00 0.00 178.31 176.54 1jdf h ARG 279 N 0.36 0.10 -0.06 1.11 2.43 -0.77 -1.33 114.38 116.23 1jdf h ARG 279 Ca 0.10 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 1jdf h ARG 279 Cb -0.02 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1jdf h ARG 279 CO -0.02 0.07 -0.38 -0.09 -1.51 0.00 0.00 179.97 178.03 1jdf h ARG 280 N 0.11 0.13 0.00 0.20 2.43 -1.06 0.48 114.38 116.67 1jdf h ARG 280 Ca 0.08 -0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 59.02 1jdf h ARG 280 Cb 0.08 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1jdf h ARG 280 CO -0.11 0.50 -0.85 0.00 -1.51 0.00 0.00 179.97 177.99 1jdf h ALA 281 N 1.50 0.59 0.00 2.80 0.00 -0.75 -3.37 119.26 120.03 1jdf h ALA 281 Ca 0.01 -0.76 -0.27 0.00 0.00 0.00 0.00 54.91 53.89 1jdf h ALA 281 Cb 0.73 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1jdf h ALA 281 CO 0.06 1.04 -2.10 0.25 0.00 0.00 0.00 179.25 178.50 1jdf n THR 282 N -3.55 1.01 -0.99 0.00 -2.24 -0.53 -4.98 114.28 102.99 1jdf n THR 282 Ca -0.01 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1jdf n THR 282 Cb 0.81 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 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 1.93 0.55 3.77 3.38 0.00 0.15 -4.92 105.19 110.05 1jdf n GLY 283 Ca -0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 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 4.45 0.65 0.99 1.43 -1.25 -5.05 118.68 119.89 1jdf s LEU 284 Ca 0.00 1.23 -0.17 0.00 -1.03 0.00 0.00 54.13 54.16 1jdf s LEU 284 Cb 0.00 -2.97 -0.01 0.00 0.03 0.00 0.00 46.19 43.24 1jdf s LEU 284 CO 0.00 0.12 1.18 -2.84 0.23 0.00 0.00 176.35 175.05 1jdf s PRO 285 N -0.36 2.69 0.13 1.29 0.02 -1.26 -4.72 135.00 132.79 1jdf s PRO 285 Ca 0.32 1.70 0.11 0.00 0.02 0.00 0.00 61.00 63.15 1jdf s PRO 285 Cb -0.19 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 1jdf s PRO 285 CO 0.19 -1.40 -0.25 0.95 -0.33 0.00 0.00 177.00 176.15 1jdf s THR 286 N -1.88 2.36 0.14 0.99 -4.23 -1.26 -1.05 115.64 110.71 1jdf s THR 286 Ca 0.74 -1.73 0.05 0.00 -1.18 0.00 0.00 61.69 59.57 1jdf s THR 286 Cb -0.28 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 1jdf s THR 286 CO 0.38 0.08 -0.11 0.00 -0.54 0.00 0.00 174.62 174.43 1jdf s ALA 287 N -1.10 1.46 -0.06 3.99 0.00 0.02 -0.57 121.76 125.51 1jdf s ALA 287 Ca 0.15 -1.44 -0.31 0.00 0.00 0.00 0.00 51.96 50.36 1jdf s ALA 287 Cb -0.10 0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.11 1jdf s ALA 287 CO 0.07 -0.05 0.70 -0.08 0.00 0.00 0.00 175.76 176.40 1jdf s THR 288 N -3.01 0.00 -0.01 0.00 -1.32 -0.93 -1.08 115.64 109.29 1jdf s THR 288 Ca 0.15 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.78 1jdf s THR 288 Cb 0.00 -1.00 0.27 0.00 -1.51 0.00 0.00 72.50 70.26 1jdf s THR 288 CO 0.01 0.00 1.11 -0.46 -2.21 0.00 0.00 174.62 173.07 1jdf n ASN 289 N 0.89 0.71 0.00 8.08 6.94 -1.26 -1.37 115.26 129.24 1jdf n ASN 289 Ca -0.18 -2.12 0.00 0.00 -0.02 0.00 0.00 54.58 52.25 1jdf n ASN 289 Cb 0.57 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.71 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 0.18 0.30 0.00 -3.83 2.81 -1.26 -4.87 117.12 110.45 1jdf n MET 290 Ca 0.05 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 56.03 1jdf n MET 290 Cb 0.95 -0.76 -0.09 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 -1.91 0.00 -3.23 2.02 -5.35 -1.26 -4.57 119.36 105.06 1jdf n ILE 291 Ca 0.00 -0.07 -0.25 0.00 -0.27 0.00 0.00 62.75 62.16 1jdf n ILE 291 Cb 0.26 1.05 -0.08 0.00 -1.74 0.00 0.00 39.64 39.13 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 -1.18 2.54 0.72 -1.28 0.00 -1.26 -4.70 120.51 115.34 1jdf n ALA 292 Ca 0.05 -3.39 0.09 0.00 0.00 0.00 0.00 53.44 50.18 1jdf n ALA 292 Cb 0.34 -0.80 0.07 0.00 0.00 0.00 0.00 19.45 19.06 1jdf n ALA 292 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jdf n THR 293 N 1.62 0.00 -3.98 0.00 -2.24 -1.26 -4.84 114.28 103.58 1jdf n THR 293 Ca 0.23 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.41 1jdf n THR 293 Cb 0.52 1.36 -0.04 0.00 -2.10 0.00 0.00 70.33 70.07 1jdf n THR 293 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1jdf s ASP 294 N -1.44 0.14 0.35 3.42 1.47 -1.26 -4.84 116.67 114.50 1jdf s ASP 294 Ca 0.20 -1.06 0.08 0.00 1.18 0.00 0.00 52.55 52.95 1jdf s ASP 294 Cb 0.14 0.65 0.64 0.00 -0.34 0.00 0.00 42.92 44.02 1jdf s ASP 294 CO 0.22 -1.27 1.82 -0.50 0.68 0.00 0.00 175.17 176.12 1jdf h TRP 295 N 2.17 0.25 -0.32 2.11 4.06 -1.98 -0.87 115.95 121.37 1jdf h TRP 295 Ca -0.27 -0.05 -0.02 0.00 2.06 0.00 0.00 58.89 60.61 1jdf h TRP 295 Cb 1.25 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 29.33 1jdf h TRP 295 CO 0.78 0.47 0.12 -0.09 -3.56 0.00 0.00 178.44 176.17 1jdf h ARG 296 N 0.21 0.49 -0.28 0.49 2.43 -2.00 0.05 114.38 115.77 1jdf h ARG 296 Ca 0.03 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 1jdf h ARG 296 Cb 0.57 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1jdf h ARG 296 CO 0.04 0.51 -0.18 1.96 -1.51 0.00 0.00 179.97 180.79 1jdf h GLN 297 N 0.37 0.50 -0.48 0.20 4.20 -1.82 -2.73 115.11 115.35 1jdf h GLN 297 Ca 0.11 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 1jdf h GLN 297 Cb 0.21 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1jdf h GLN 297 CO -0.01 0.67 -0.02 1.98 -0.67 0.00 0.00 178.83 180.78 1jdf h MET 298 N 0.46 0.80 -0.15 1.46 4.05 -0.65 -0.95 114.93 119.95 1jdf h MET 298 Ca 0.08 -0.22 0.03 0.00 -0.28 0.00 0.00 59.70 59.30 1jdf h MET 298 Cb 0.57 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.26 1jdf h MET 298 CO 0.04 0.82 -0.03 0.78 0.23 0.00 0.00 176.91 178.75 1jdf h GLY 299 N 0.98 0.11 1.90 1.39 0.00 -0.68 -0.94 103.07 105.83 1jdf h GLY 299 Ca 0.14 0.04 -0.12 0.00 0.00 0.00 0.00 47.33 47.39 1jdf h GLY 299 CO 0.02 -0.05 -0.54 0.45 0.00 0.00 0.00 176.54 176.42 1jdf h HIS 300 N 0.01 0.13 -0.82 5.60 -0.00 -1.47 -2.72 115.15 115.88 1jdf h HIS 300 Ca 0.07 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1jdf h HIS 300 Cb 0.11 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.45 1jdf h HIS 300 CO -0.18 0.63 0.51 1.15 -0.00 0.00 0.00 177.93 180.04 1jdf h THR 301 N 0.08 1.22 -0.36 2.45 2.02 -0.66 -1.17 112.91 116.50 1jdf h THR 301 Ca -0.00 -0.46 -0.13 0.00 0.77 0.00 0.00 66.41 66.59 1jdf h THR 301 Cb 0.99 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1jdf h THR 301 CO 0.08 0.23 -0.29 -0.07 0.37 0.00 0.00 175.52 175.83 1jdf h LEU 302 N 1.12 0.79 -0.66 2.58 3.38 -1.00 0.44 115.31 121.96 1jdf h LEU 302 Ca 0.30 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1jdf h LEU 302 Cb -0.08 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1jdf h LEU 302 CO -0.06 1.03 0.16 0.28 0.09 0.00 0.00 178.44 179.93 1jdf h SER 303 N 0.65 1.00 0.80 -0.43 0.02 -1.15 -2.99 113.55 111.45 1jdf h SER 303 Ca 0.08 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1jdf h SER 303 Cb 0.82 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1jdf h SER 303 CO 0.07 0.98 -0.52 0.18 -1.14 0.00 0.00 176.83 176.40 1jdf n LEU 304 N -4.29 0.60 -3.65 5.07 4.77 -0.48 -4.96 117.00 114.07 1jdf n LEU 304 Ca 0.04 0.20 -0.22 0.00 -0.03 0.00 0.00 56.01 56.01 1jdf n LEU 304 Cb 0.25 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1jdf n LEU 304 CO 0.42 -0.01 -0.05 0.00 -1.33 0.00 0.00 177.39 176.42 1jdf n GLN 305 N -1.91 -4.30 0.14 3.23 6.02 0.15 -4.81 117.38 115.89 1jdf n GLN 305 Ca 0.04 0.63 0.07 0.00 -0.01 0.00 0.00 57.00 57.73 1jdf n GLN 305 Cb 0.40 -5.14 0.05 0.00 1.02 0.00 0.00 30.24 26.57 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 -1.80 0.00 -3.55 1.08 0.02 -1.66 -3.44 113.55 104.20 1jdf h SER 306 Ca -0.62 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 59.91 1jdf h SER 306 Cb 1.35 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.57 1jdf h SER 306 CO 0.54 0.27 -0.78 -0.69 -1.14 0.00 0.00 176.83 175.03 1jdf s VAL 307 N -3.10 0.69 -0.12 2.27 1.01 -1.26 -4.40 120.40 115.49 1jdf s VAL 307 Ca 0.03 -0.24 0.08 0.00 0.00 0.00 0.00 61.98 61.84 1jdf s VAL 307 Cb 0.07 -0.67 -0.24 0.00 0.00 0.00 0.00 36.38 35.55 1jdf s VAL 307 CO 0.74 0.25 0.37 0.47 0.00 0.00 0.00 175.10 176.93 1jdf n ASP 308 N 3.77 1.11 -3.83 3.32 9.92 -0.53 -4.78 116.55 125.53 1jdf n ASP 308 Ca -0.23 0.22 -0.30 0.00 -0.53 0.00 0.00 54.79 53.95 1jdf n ASP 308 Cb 0.52 -0.07 -0.14 0.00 -0.64 0.00 0.00 41.12 40.79 1jdf n ASP 308 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1jdf s ILE 309 N -2.56 1.73 -0.13 0.53 1.01 0.27 -1.02 121.20 121.03 1jdf s ILE 309 Ca -0.13 -2.46 -0.29 0.00 0.00 0.00 0.00 60.65 57.77 1jdf s ILE 309 Cb 0.07 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 1jdf s ILE 309 CO 0.79 -0.78 1.00 -2.16 0.00 0.00 0.00 174.94 173.79 1jdf s PRO 310 N 0.56 4.39 -0.93 2.79 0.04 -1.23 -2.18 135.00 138.44 1jdf s PRO 310 Ca 0.15 1.36 -0.18 0.00 0.04 0.00 0.00 61.00 62.37 1jdf s PRO 310 Cb -0.22 -3.56 0.15 0.00 0.04 0.00 0.00 34.50 30.91 1jdf s PRO 310 CO -0.06 -0.36 1.09 -0.51 0.04 0.00 0.00 177.00 177.20 1jdf s LEU 311 N 2.17 5.33 -1.27 -3.56 1.43 -0.47 -2.52 118.68 119.79 1jdf s LEU 311 Ca 0.47 -2.21 -0.15 0.00 -1.03 0.00 0.00 54.13 51.21 1jdf s LEU 311 Cb -0.18 -2.37 0.12 0.00 0.03 0.00 0.00 46.19 43.80 1jdf s LEU 311 CO 0.16 -0.96 1.64 0.00 0.23 0.00 0.00 176.35 177.42 1jdf n ALA 312 N 6.06 3.96 -1.65 4.21 0.00 -0.65 -3.94 120.51 128.50 1jdf n ALA 312 Ca 0.23 -4.07 -0.48 0.00 0.00 0.00 0.00 53.44 49.13 1jdf n ALA 312 Cb 0.48 -3.31 -0.05 0.00 0.00 0.00 0.00 19.45 16.58 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 6.66 3.35 0.29 0.00 4.64 -1.26 -4.61 116.55 125.63 1jdf n ASP 313 Ca 0.43 0.84 0.20 0.00 -1.38 0.00 0.00 54.79 54.87 1jdf n ASP 313 Cb 0.43 -1.39 1.05 0.00 -1.04 0.00 0.00 41.12 40.17 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 10.21 0.00 -0.32 -0.67 0.13 -1.84 -2.04 132.00 137.47 1jdf h PRO 314 Ca -0.46 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.55 1jdf h PRO 314 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1jdf h PRO 314 CO 0.96 0.00 -0.29 0.45 -0.23 0.00 0.00 178.00 178.89 1jdf h HIS 315 N 0.00 0.77 -0.25 1.56 3.86 -1.87 0.49 115.15 119.72 1jdf h HIS 315 Ca 0.00 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1jdf h HIS 315 Cb 0.03 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.32 1jdf h HIS 315 CO 0.00 0.88 0.00 1.97 0.86 0.00 0.00 177.93 181.64 1jdf n PHE 316 N -4.09 0.32 0.06 2.45 -1.74 -0.87 -4.10 117.46 109.49 1jdf n PHE 316 Ca -0.01 -0.25 0.02 0.00 -0.56 0.00 0.00 57.45 56.66 1jdf n PHE 316 Cb 0.46 -0.01 -0.03 0.00 1.52 0.00 0.00 39.48 41.41 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 0.87 0.00 0.00 2.97 7.02 -0.82 -4.90 117.44 122.58 1jdf n TRP 317 Ca 0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.60 1jdf n TRP 317 Cb 0.43 -0.07 0.00 0.00 -2.42 0.00 0.00 31.31 29.25 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 -1.50 0.00 0.04 -0.99 -2.24 0.17 -3.68 114.28 106.08 1jdf n THR 318 Ca -0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.65 1jdf n THR 318 Cb 0.10 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.26 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 -0.02 0.00 -0.78 0.00 -1.90 0.18 114.93 112.40 1jdf h MET 319 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 59.70 59.64 1jdf h MET 319 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 31.60 1jdf h MET 319 CO 0.00 0.07 -0.31 1.96 0.00 0.00 0.00 176.91 178.63 1jdf h GLN 320 N -0.10 0.00 -0.16 1.72 4.20 -1.93 -1.90 115.11 116.93 1jdf h GLN 320 Ca -0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1jdf h GLN 320 Cb 0.10 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 1jdf h GLN 320 CO 0.00 0.31 -0.16 0.78 -0.67 0.00 0.00 178.83 179.09 1jdf h GLY 321 N 0.93 0.43 1.01 3.46 0.00 -1.53 -1.78 103.07 105.59 1jdf h GLY 321 Ca -0.00 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 46.89 1jdf h GLY 321 CO 0.04 0.40 0.65 0.23 0.00 0.00 0.00 176.54 177.87 1jdf h SER 322 N 0.04 1.12 -0.16 0.19 0.87 -0.42 -1.71 113.55 113.49 1jdf h SER 322 Ca 0.03 -0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 1jdf h SER 322 Cb 0.70 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 1jdf h SER 322 CO 0.04 0.81 -0.23 0.58 -0.53 0.00 0.00 176.83 177.50 1jdf h VAL 323 N 1.32 1.27 -0.30 2.23 2.07 -1.26 -1.07 116.25 120.50 1jdf h VAL 323 Ca 0.37 -1.28 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 1jdf h VAL 323 Cb -0.13 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1jdf h VAL 323 CO -0.08 0.42 -0.06 0.03 0.02 0.00 0.00 177.57 177.89 1jdf h ARG 324 N 0.54 0.47 -0.45 1.57 3.08 -0.57 0.05 114.38 119.07 1jdf h ARG 324 Ca 0.08 -0.11 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 1jdf h ARG 324 Cb 0.68 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1jdf h ARG 324 CO 0.05 0.55 -0.23 0.28 -1.07 0.00 0.00 179.97 179.55 1jdf h VAL 325 N 0.45 1.27 -0.67 2.04 2.07 -0.69 -1.17 116.25 119.56 1jdf h VAL 325 Ca 0.09 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.20 1jdf h VAL 325 Cb 0.39 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1jdf h VAL 325 CO 0.02 0.47 0.29 0.00 0.02 0.00 0.00 177.57 178.37 1jdf h ALA 326 N 0.93 0.87 -0.44 1.67 0.00 -0.40 -0.01 119.26 121.86 1jdf h ALA 326 Ca 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1jdf h ALA 326 Cb 0.79 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1jdf h ALA 326 CO 0.07 0.46 0.15 1.96 0.00 0.00 0.00 179.25 181.88 1jdf h GLN 327 N 0.94 0.68 -0.76 0.00 4.20 -0.85 -1.87 115.11 117.45 1jdf h GLN 327 Ca 0.23 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 1jdf h GLN 327 Cb 0.17 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 1jdf h GLN 327 CO -0.02 0.66 0.41 1.98 -0.67 0.00 0.00 178.83 181.19 1jdf h MET 328 N 0.58 1.06 0.22 1.46 4.05 -0.83 0.75 114.93 122.21 1jdf h MET 328 Ca 0.14 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 1jdf h MET 328 Cb 0.25 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 30.84 1jdf h MET 328 CO -0.01 0.78 -0.10 0.00 0.23 0.00 0.00 176.91 177.81 1jdf h HIS 330 N -0.45 0.61 -0.05 0.00 6.17 -1.10 0.20 115.15 120.52 1jdf h HIS 330 Ca -0.03 0.02 -0.10 0.00 0.71 0.00 0.00 60.37 60.97 1jdf h HIS 330 Cb 0.34 -0.18 -0.01 0.00 2.52 0.00 0.00 27.41 30.08 1jdf h HIS 330 CO -0.02 0.30 -0.44 0.93 0.71 0.00 0.00 177.93 179.41 1jdf h GLU 331 N 0.63 0.11 -0.01 5.26 5.08 -0.70 -3.23 114.58 121.71 1jdf h GLU 331 Ca 0.27 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1jdf h GLU 331 Cb 0.15 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1jdf h GLU 331 CO -0.17 0.53 -0.62 1.19 -1.00 0.00 0.00 179.01 178.95 1jdf n PHE 332 N -4.01 0.00 -0.21 4.33 3.72 0.47 -4.98 117.46 116.78 1jdf n PHE 332 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1jdf n PHE 332 Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 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 1.44 0.83 2.40 1.37 0.00 0.44 -5.05 105.19 106.61 1jdf n GLY 333 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.93 0.99 4.77 0.23 -4.99 117.00 114.07 1jdf n LEU 334 Ca 0.00 -1.15 -0.27 0.00 -0.03 0.00 0.00 56.01 54.56 1jdf n LEU 334 Cb 0.00 -0.49 -0.17 0.00 -2.33 0.00 0.00 43.42 40.43 1jdf n LEU 334 CO 0.00 -0.91 -0.45 -0.89 -1.33 0.00 0.00 177.39 173.81 1jdf s THR 335 N -2.21 1.09 0.30 -5.08 2.01 -0.19 -4.24 115.64 107.32 1jdf s THR 335 Ca 0.43 -0.34 -0.24 0.00 0.31 0.00 0.00 61.69 61.85 1jdf s THR 335 Cb -0.02 -1.08 -0.09 0.00 0.01 0.00 0.00 72.50 71.31 1jdf s THR 335 CO 0.29 0.37 0.89 0.86 -0.69 0.00 0.00 174.62 176.35 1jdf s TRP 336 N 1.57 3.69 0.24 4.92 -0.00 -1.26 -3.54 118.94 124.56 1jdf s TRP 336 Ca 0.03 1.68 0.00 0.00 -0.00 0.00 0.00 56.10 57.81 1jdf s TRP 336 Cb -0.13 -2.84 0.00 0.00 -0.00 0.00 0.00 33.47 30.50 1jdf s TRP 336 CO -0.07 0.25 0.31 0.41 -0.00 0.00 0.00 176.95 177.85 1jdf n GLY 337 N 0.62 2.59 2.95 5.86 0.00 -1.05 -2.22 105.19 113.93 1jdf n GLY 337 Ca 0.01 -1.60 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.55 0.03 0.21 1.61 0.15 -1.26 -1.63 113.70 110.25 1jdf s SER 338 Ca 0.22 -0.08 0.06 0.00 0.70 0.00 0.00 55.95 56.85 1jdf s SER 338 Cb -0.00 0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.37 1jdf s SER 338 CO 0.16 -0.11 0.21 -2.28 1.20 0.00 0.00 173.24 172.42 1jdf s HIS 339 N -0.45 3.22 0.28 3.44 5.65 -1.25 -2.66 115.29 123.51 1jdf s HIS 339 Ca -0.05 -0.04 -0.01 0.00 0.25 0.00 0.00 55.06 55.21 1jdf s HIS 339 Cb -0.03 -1.49 -0.02 0.00 -1.18 0.00 0.00 32.58 29.86 1jdf s HIS 339 CO -0.00 0.51 0.32 -1.54 -0.65 0.00 0.00 174.74 173.37 1jdf s SER 340 N -3.56 0.76 0.06 9.88 1.04 -1.26 -4.33 113.70 116.28 1jdf s SER 340 Ca 0.33 -1.46 -0.01 0.00 0.48 0.00 0.00 55.95 55.29 1jdf s SER 340 Cb -0.09 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 1jdf s SER 340 CO 0.25 -1.07 -0.03 -1.81 0.98 0.00 0.00 173.24 171.56 1jdf s ASP 341 N -3.22 0.58 0.00 7.02 1.01 -1.26 -4.92 116.67 115.88 1jdf s ASP 341 Ca 0.35 -1.01 -0.38 0.00 0.71 0.00 0.00 52.55 52.22 1jdf s ASP 341 Cb 0.03 0.19 -0.17 0.00 1.01 0.00 0.00 42.92 43.97 1jdf s ASP 341 CO 0.18 -0.59 1.36 0.59 0.21 0.00 0.00 175.17 176.93 1jdf n ASN 342 N 0.08 1.49 -3.63 0.27 4.13 -1.26 -4.58 115.26 111.76 1jdf n ASN 342 Ca -0.13 1.12 -0.13 0.00 1.68 0.00 0.00 54.58 57.12 1jdf n ASN 342 Cb 0.61 -1.13 -0.06 0.00 -1.54 0.00 0.00 39.78 37.66 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 0.92 0.89 0.00 3.10 -3.43 -1.26 -4.95 115.29 110.56 1jdf s HIS 343 Ca 0.88 -1.15 0.00 0.00 -0.80 0.00 0.00 55.06 53.99 1jdf s HIS 343 Cb -1.03 -0.10 0.00 0.00 -1.43 0.00 0.00 32.58 30.01 1jdf s HIS 343 CO 0.52 -1.00 0.00 1.19 -2.00 0.00 0.00 174.74 173.45 1jdf n PHE 344 N -0.46 -2.46 0.61 0.38 3.01 -1.26 -4.75 117.46 112.53 1jdf n PHE 344 Ca 0.01 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.57 1jdf n PHE 344 Cb 0.62 0.00 0.43 0.00 -0.01 0.00 0.00 39.48 40.52 1jdf n PHE 344 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1jdf n ASP 345 N -2.57 0.22 -0.02 4.37 3.85 -1.26 -2.75 116.55 118.38 1jdf n ASP 345 Ca 0.00 0.54 -0.16 0.00 -0.71 0.00 0.00 54.79 54.47 1jdf n ASP 345 Cb 0.00 -0.59 -0.11 0.00 -1.35 0.00 0.00 41.12 39.07 1jdf n ASP 345 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 1jdf h ILE 346 N 0.00 1.48 -0.73 2.12 2.04 -1.95 -2.66 117.51 117.81 1jdf h ILE 346 Ca 0.00 -1.90 -0.04 0.00 1.00 0.00 0.00 64.86 63.92 1jdf h ILE 346 Cb 0.38 2.59 -0.03 0.00 -0.74 0.00 0.00 36.82 39.02 1jdf h ILE 346 CO 0.00 0.53 0.29 0.28 0.00 0.00 0.00 178.15 179.25 1jdf h SER 347 N -0.32 1.00 -0.64 1.72 0.02 -1.86 -0.45 113.55 113.03 1jdf h SER 347 Ca -0.04 -0.15 0.12 0.00 -0.84 0.00 0.00 61.79 60.89 1jdf h SER 347 Cb 1.05 -0.26 -0.09 0.00 0.14 0.00 0.00 62.40 63.24 1jdf h SER 347 CO 0.07 0.89 0.16 0.25 -1.14 0.00 0.00 176.83 177.06 1jdf h LEU 348 N 1.06 0.04 -0.49 5.07 5.85 -1.50 0.18 115.31 125.52 1jdf h LEU 348 Ca 0.24 0.12 -0.14 0.00 0.84 0.00 0.00 57.88 58.94 1jdf h LEU 348 Cb 0.21 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1jdf h LEU 348 CO -0.02 0.02 -0.25 0.00 -0.34 0.00 0.00 178.44 177.85 1jdf h ALA 349 N 1.51 0.68 -0.07 1.25 0.00 -1.02 -1.88 119.26 119.74 1jdf h ALA 349 Ca 0.34 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1jdf h ALA 349 Cb 0.52 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1jdf h ALA 349 CO -0.42 0.67 -0.22 0.52 0.00 0.00 0.00 179.25 179.81 1jdf h MET 350 N 0.83 -0.30 0.00 0.00 2.86 0.90 -1.41 114.93 117.81 1jdf h MET 350 Ca 0.10 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1jdf h MET 350 Cb 0.83 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.55 1jdf h MET 350 CO 0.07 -0.20 -0.11 1.97 1.06 0.00 0.00 176.91 179.70 1jdf n PHE 351 N -5.35 0.25 -0.10 -0.22 1.16 0.11 -2.29 117.46 111.02 1jdf n PHE 351 Ca -0.04 0.07 -0.12 0.00 -1.87 0.00 0.00 57.45 55.49 1jdf n PHE 351 Cb 0.26 -0.58 -0.04 0.00 -1.61 0.00 0.00 39.48 37.52 1jdf n PHE 351 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 1jdf h THR 352 N 0.00 1.30 -0.14 1.97 2.02 -0.59 -1.20 112.91 116.27 1jdf h THR 352 Ca 0.00 -1.26 -0.12 0.00 0.77 0.00 0.00 66.41 65.80 1jdf h THR 352 Cb 0.57 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1jdf h THR 352 CO 0.00 0.40 -0.44 0.45 0.37 0.00 0.00 175.52 176.30 1jdf h HIS 353 N 0.34 0.40 0.10 3.16 3.86 -1.16 -1.45 115.15 120.40 1jdf h HIS 353 Ca 0.06 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1jdf h HIS 353 Cb 0.68 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1jdf h HIS 353 CO 0.06 0.72 -0.05 0.28 0.86 0.00 0.00 177.93 179.80 1jdf h VAL 354 N 0.27 1.06 -0.01 2.45 2.07 -1.36 -2.89 116.25 117.84 1jdf h VAL 354 Ca 0.02 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1jdf h VAL 354 Cb 0.89 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1jdf h VAL 354 CO 0.07 0.16 -0.08 0.00 0.02 0.00 0.00 177.57 177.74 1jdf h ALA 355 N 0.42 1.84 0.00 1.67 0.00 -1.18 -0.72 119.26 121.30 1jdf h ALA 355 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1jdf h ALA 355 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1jdf h ALA 355 CO 0.02 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1jdf h ALA 356 N 1.90 1.00 -0.20 0.00 0.00 -1.07 -2.10 119.26 118.80 1jdf h ALA 356 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jdf h ALA 356 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1jdf h ALA 356 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1jdf n ALA 357 N -2.00 2.41 -2.66 0.00 0.00 -0.30 0.45 120.51 118.42 1jdf n ALA 357 Ca -0.00 -0.83 -0.43 0.00 0.00 0.00 0.00 53.44 52.18 1jdf n ALA 357 Cb 0.22 -0.64 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.34 3.66 0.67 0.00 0.00 -0.79 -4.65 121.76 119.31 1jdf s ALA 358 Ca 0.26 0.20 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 1jdf s ALA 358 Cb 0.16 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 1jdf s ALA 358 CO 0.23 -1.00 1.07 -1.25 0.00 0.00 0.00 175.76 174.81 1jdf s PRO 359 N 3.07 3.18 3.28 0.00 0.04 -1.26 -4.79 135.00 138.52 1jdf s PRO 359 Ca 0.45 0.60 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1jdf s PRO 359 Cb -0.15 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1jdf s PRO 359 CO 0.07 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 176.69 1jdf n GLY 360 N -2.87 0.24 3.67 0.56 0.00 -1.26 -4.70 105.19 100.83 1jdf n GLY 360 Ca 0.07 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 1jdf n GLY 360 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jdf s LYS 361 N 0.00 4.23 0.27 1.61 0.00 -1.26 -5.06 119.74 119.53 1jdf s LYS 361 Ca 0.00 0.57 0.11 0.00 0.00 0.00 0.00 55.97 56.65 1jdf s LYS 361 Cb 0.00 -3.55 -0.05 0.00 0.00 0.00 0.00 37.83 34.23 1jdf s LYS 361 CO 0.00 -0.16 -0.17 0.96 0.00 0.00 0.00 175.35 175.98 1jdf s ILE 362 N 1.64 2.63 0.64 3.79 -4.36 -1.26 -4.44 121.20 119.84 1jdf s ILE 362 Ca 0.28 -2.27 -0.04 0.00 -0.26 0.00 0.00 60.65 58.36 1jdf s ILE 362 Cb -0.16 -2.37 0.05 0.00 1.25 0.00 0.00 42.46 41.23 1jdf s ILE 362 CO 0.11 -0.36 0.92 0.28 0.24 0.00 0.00 174.94 176.13 1jdf s THR 363 N -2.37 2.59 0.24 8.37 -1.32 -0.94 -5.00 115.64 117.21 1jdf s THR 363 Ca 0.29 -0.37 -0.31 0.00 -1.21 0.00 0.00 61.69 60.08 1jdf s THR 363 Cb -0.06 -3.06 -0.12 0.00 -1.51 0.00 0.00 72.50 67.75 1jdf s THR 363 CO 0.15 -0.06 1.64 0.00 -2.21 0.00 0.00 174.62 174.14 1jdf n ALA 364 N -2.68 2.48 -2.56 11.08 0.00 -1.26 -4.83 120.51 122.74 1jdf n ALA 364 Ca 0.07 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.49 1jdf n ALA 364 Cb 0.60 -2.47 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 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 0.60 4.59 0.41 0.00 -1.09 -0.27 -4.63 121.20 120.82 1jdf s ILE 365 Ca 0.71 1.90 -0.25 0.00 -2.23 0.00 0.00 60.65 60.78 1jdf s ILE 365 Cb -0.53 -4.22 -0.08 0.00 -1.58 0.00 0.00 42.46 36.05 1jdf s ILE 365 CO 0.40 0.17 1.22 -1.81 -1.23 0.00 0.00 174.94 173.70 1jdf s ASP 366 N 0.84 6.36 -0.28 3.58 1.11 -1.09 -1.18 116.67 126.02 1jdf s ASP 366 Ca 0.53 2.47 -0.24 0.00 0.18 0.00 0.00 52.55 55.49 1jdf s ASP 366 Cb -0.24 -2.62 0.10 0.00 1.07 0.00 0.00 42.92 41.23 1jdf s ASP 366 CO 0.29 -0.80 0.86 0.28 1.18 0.00 0.00 175.17 176.98 1jdf s THR 367 N -1.37 0.00 -2.06 -1.27 -1.32 -1.26 -4.56 115.64 103.80 1jdf s THR 367 Ca 0.58 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.32 1jdf s THR 367 Cb -0.33 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 69.90 1jdf s THR 367 CO 0.42 0.00 1.46 1.41 -2.21 0.00 0.00 174.62 175.70 1jdf n HIS 368 N 2.69 0.00 -0.34 9.09 8.25 -1.26 -4.31 115.22 129.34 1jdf n HIS 368 Ca -0.14 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.36 1jdf n HIS 368 Cb 0.56 -0.06 0.12 0.00 1.12 0.00 0.00 29.99 31.72 1jdf n HIS 368 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 1jdf n TRP 369 N -0.19 0.29 0.01 4.41 -0.00 -1.26 -0.85 117.44 119.85 1jdf n TRP 369 Ca 0.13 1.14 0.23 0.00 -0.00 0.00 0.00 57.50 59.00 1jdf n TRP 369 Cb 0.40 -1.01 0.70 0.00 -0.00 0.00 0.00 31.31 31.40 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 0.34 0.00 5.87 3.07 -1.95 0.32 117.51 125.16 1jdf h ILE 370 Ca 0.43 0.00 -0.11 0.00 1.55 0.00 0.00 64.86 66.73 1jdf h ILE 370 Cb 0.66 0.54 -0.02 0.00 -0.27 0.00 0.00 36.82 37.74 1jdf h ILE 370 CO -0.96 0.00 -0.51 -0.50 -1.05 0.00 0.00 178.15 175.13 1jdf h TRP 371 N 0.00 0.00 0.00 0.16 4.06 -1.36 -3.33 115.95 115.48 1jdf h TRP 371 Ca 0.27 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.22 1jdf h TRP 371 Cb 1.44 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.60 1jdf h TRP 371 CO 0.00 0.51 -1.75 1.04 -3.56 0.00 0.00 178.44 174.68 1jdf n GLN 372 N -3.35 0.52 -1.49 0.49 3.00 0.79 -4.81 117.38 112.53 1jdf n GLN 372 Ca 0.01 -0.15 -0.35 0.00 -0.01 0.00 0.00 57.00 56.51 1jdf n GLN 372 Cb 0.68 -1.39 0.09 0.00 0.00 0.00 0.00 30.24 29.62 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 -3.12 2.21 0.00 -1.09 -6.30 0.78 -3.31 118.70 107.87 1jdf s GLU 373 Ca -0.06 1.80 0.00 0.00 -2.50 0.00 0.00 54.97 54.21 1jdf s GLU 373 Cb 0.10 -1.84 0.00 0.00 0.00 0.00 0.00 34.13 32.40 1jdf s GLU 373 CO 0.68 -1.79 0.00 0.41 0.02 0.00 0.00 175.26 174.58 1jdf n GLY 374 N 0.46 2.57 0.80 -1.50 0.00 -1.26 -4.62 105.19 101.63 1jdf n GLY 374 Ca 0.14 -0.57 0.07 0.00 0.00 0.00 0.00 46.02 45.66 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 3.10 3.49 -3.79 1.61 6.94 -1.26 -4.98 115.26 120.38 1jdf n ASN 375 Ca 0.00 -2.56 -0.13 0.00 -0.02 0.00 0.00 54.58 51.87 1jdf n ASN 375 Cb 0.00 -0.41 -0.11 0.00 -2.36 0.00 0.00 39.78 36.91 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 -2.01 0.40 -0.21 -3.83 -0.21 -1.21 -5.10 119.66 107.49 1jdf s GLN 376 Ca 0.34 0.15 -0.30 0.00 0.02 0.00 0.00 55.36 55.57 1jdf s GLN 376 Cb 0.24 0.19 0.15 0.00 1.00 0.00 0.00 33.01 34.59 1jdf s GLN 376 CO 0.12 -0.08 1.16 -0.98 -2.12 0.00 0.00 175.29 173.39 1jdf s ARG 377 N -0.36 0.36 -0.00 2.91 1.70 -1.26 -4.67 118.95 117.63 1jdf s ARG 377 Ca -0.05 0.06 0.05 0.00 -0.47 0.00 0.00 55.73 55.33 1jdf s ARG 377 Cb -0.03 0.17 -0.06 0.00 -0.57 0.00 0.00 34.95 34.45 1jdf s ARG 377 CO 0.01 -0.12 0.18 1.28 -1.08 0.00 0.00 175.30 175.57 1jdf n LEU 378 N 0.57 0.15 -4.71 -1.89 4.32 -1.26 -4.74 117.00 109.44 1jdf n LEU 378 Ca -0.05 -0.33 -0.24 0.00 -0.02 0.00 0.00 56.01 55.37 1jdf n LEU 378 Cb 0.58 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.31 1jdf n LEU 378 CO 0.12 0.04 -0.21 0.42 -1.22 0.00 0.00 177.39 176.54 1jdf s THR 379 N -1.78 2.73 0.19 -5.08 -4.23 -1.26 -1.03 115.64 105.18 1jdf s THR 379 Ca 0.01 -1.75 -0.05 0.00 -1.18 0.00 0.00 61.69 58.71 1jdf s THR 379 Cb 0.04 -2.94 -0.02 0.00 1.34 0.00 0.00 72.50 70.91 1jdf s THR 379 CO 0.21 -0.13 1.54 0.11 -0.54 0.00 0.00 174.62 175.80 1jdf h LYS 380 N 1.56 0.72 -2.61 3.99 1.57 -1.44 -3.40 116.57 116.98 1jdf h LYS 380 Ca -0.43 -0.38 -0.60 0.00 -1.87 0.00 0.00 60.65 57.38 1jdf h LYS 380 Cb 1.25 0.01 -0.39 0.00 0.08 0.00 0.00 32.23 33.18 1jdf h LYS 380 CO 0.66 0.99 -0.86 -1.21 -0.57 0.00 0.00 179.45 178.46 1jdf s GLU 381 N -4.30 1.11 0.32 3.15 2.02 -1.26 -5.10 118.70 114.63 1jdf s GLU 381 Ca -0.09 -2.10 -0.27 0.00 0.02 0.00 0.00 54.97 52.53 1jdf s GLU 381 Cb 0.12 -1.81 -0.14 0.00 0.10 0.00 0.00 34.13 32.40 1jdf s GLU 381 CO 0.85 -1.30 0.93 -2.30 0.02 0.00 0.00 175.26 173.46 1jdf n PRO 382 N 3.08 1.19 -1.97 0.39 -0.02 -1.26 -4.91 135.00 131.50 1jdf n PRO 382 Ca 0.21 0.42 -0.37 0.00 -2.02 0.00 0.00 63.50 61.74 1jdf n PRO 382 Cb 0.42 -1.78 0.03 0.00 -0.02 0.00 0.00 33.50 32.14 1jdf n PRO 382 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1jdf s PHE 383 N -1.13 2.46 0.12 6.00 0.40 -1.26 -5.00 117.98 119.57 1jdf s PHE 383 Ca 0.60 1.46 0.07 0.00 -0.60 0.00 0.00 56.93 58.46 1jdf s PHE 383 Cb -0.68 -3.60 -0.04 0.00 0.51 0.00 0.00 43.02 39.21 1jdf s PHE 383 CO 0.59 -2.35 -0.09 -1.21 0.70 0.00 0.00 175.22 172.86 1jdf s GLU 384 N -2.99 2.13 -0.28 0.44 2.02 -1.26 -5.09 118.70 113.67 1jdf s GLU 384 Ca 0.72 -1.07 -0.08 0.00 0.02 0.00 0.00 54.97 54.55 1jdf s GLU 384 Cb -0.34 -2.28 -0.02 0.00 0.10 0.00 0.00 34.13 31.58 1jdf s GLU 384 CO 0.40 0.49 0.11 0.42 0.02 0.00 0.00 175.26 176.70 1jdf s ILE 385 N -1.32 4.48 -0.04 -1.63 1.01 -1.26 -4.35 121.20 118.09 1jdf s ILE 385 Ca 0.22 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.60 1jdf s ILE 385 Cb -0.11 -3.19 0.02 0.00 0.01 0.00 0.00 42.46 39.20 1jdf s ILE 385 CO 0.14 0.21 -0.03 -0.54 0.00 0.00 0.00 174.94 174.72 1jdf s LYS 386 N 1.62 0.73 -1.69 2.79 1.02 -0.27 -4.64 119.74 119.30 1jdf s LYS 386 Ca 0.05 -0.06 0.00 0.00 0.02 0.00 0.00 55.97 55.98 1jdf s LYS 386 Cb -0.16 -0.79 0.00 0.00 -0.52 0.00 0.00 37.83 36.36 1jdf s LYS 386 CO 0.05 -0.11 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 1jdf n GLY 387 N 4.15 0.72 2.33 -3.33 0.00 -0.74 -1.05 105.19 107.26 1jdf n GLY 387 Ca -0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.92 0.54 3.38 -0.02 0.00 0.05 -4.71 105.19 103.53 1jdf n GLY 388 Ca -0.19 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.62 2.33 -0.11 0.99 1.43 -0.22 -0.23 118.68 122.26 1jdf s LEU 389 Ca 0.00 -0.76 0.02 0.00 -1.03 0.00 0.00 54.13 52.36 1jdf s LEU 389 Cb 0.00 -1.18 0.02 0.00 0.03 0.00 0.00 46.19 45.06 1jdf s LEU 389 CO 0.00 0.16 -0.15 -0.69 0.23 0.00 0.00 176.35 175.89 1jdf s VAL 390 N -1.15 1.53 0.23 -1.59 1.01 -0.26 -1.11 120.40 119.06 1jdf s VAL 390 Ca 0.14 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 1jdf s VAL 390 Cb -0.10 -1.40 -0.09 0.00 0.00 0.00 0.00 36.38 34.79 1jdf s VAL 390 CO 0.06 0.45 1.10 -1.10 0.00 0.00 0.00 175.10 175.61 1jdf s GLN 391 N 1.02 4.62 -0.40 2.72 -1.52 -1.26 -0.22 119.66 124.62 1jdf s GLN 391 Ca -0.06 1.76 -0.23 0.00 -1.95 0.00 0.00 55.36 54.88 1jdf s GLN 391 Cb -0.15 -3.23 0.02 0.00 -0.22 0.00 0.00 33.01 29.43 1jdf s GLN 391 CO -0.02 0.14 0.80 0.08 -0.25 0.00 0.00 175.29 176.04 1jdf s VAL 392 N -0.69 4.68 0.37 1.09 1.01 -0.05 -4.92 120.40 121.89 1jdf s VAL 392 Ca 0.47 0.74 -0.26 0.00 0.00 0.00 0.00 61.98 62.92 1jdf s VAL 392 Cb -0.31 -4.27 -0.12 0.00 0.00 0.00 0.00 36.38 31.69 1jdf s VAL 392 CO 0.38 -0.56 1.17 -2.65 0.00 0.00 0.00 175.10 173.43 1jdf n PRO 393 N 6.59 1.75 0.13 2.72 -0.02 -1.26 -4.89 135.00 140.02 1jdf n PRO 393 Ca 0.03 0.62 0.12 0.00 -2.02 0.00 0.00 63.50 62.25 1jdf n PRO 393 Cb 0.48 -2.19 0.10 0.00 -0.02 0.00 0.00 33.50 31.87 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 2.08 0.00 -6.86 -0.52 4.57 -1.98 -3.46 114.58 108.41 1jdf h GLU 394 Ca -0.45 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.19 1jdf h GLU 394 Cb 1.31 0.00 0.20 0.00 -0.16 0.00 0.00 28.75 30.10 1jdf h GLU 394 CO 0.60 0.00 -0.26 1.63 -1.18 0.00 0.00 179.01 179.80 1jdf n LYS 395 N -2.71 0.01 -1.82 1.92 5.02 -1.26 -4.32 118.16 115.00 1jdf n LYS 395 Ca 0.02 0.06 -0.34 0.00 -2.02 0.00 0.00 58.31 56.03 1jdf n LYS 395 Cb 0.52 -2.01 0.05 0.00 -0.02 0.00 0.00 35.03 33.57 1jdf n LYS 395 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1jdf s PRO 396 N -3.51 2.79 3.90 1.97 0.02 -1.26 -3.40 135.00 135.52 1jdf s PRO 396 Ca 0.64 1.56 0.00 0.00 0.02 0.00 0.00 61.00 63.22 1jdf s PRO 396 Cb -0.28 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.31 1jdf s PRO 396 CO 0.60 -1.29 0.00 0.41 -0.33 0.00 0.00 177.00 176.39 1jdf n GLY 397 N -0.08 0.80 0.25 0.52 0.00 0.31 -3.13 105.19 103.86 1jdf n GLY 397 Ca 0.12 -0.73 0.16 0.00 0.00 0.00 0.00 46.02 45.57 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 0.50 0.99 3.38 -1.87 -1.65 115.31 116.65 1jdf h LEU 398 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1jdf h LEU 398 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1jdf h LEU 398 CO 0.00 0.00 -0.09 0.61 0.09 0.00 0.00 178.44 179.05 1jdf n GLY 399 N 0.27 0.26 3.22 0.83 0.00 -1.18 -4.93 105.19 103.65 1jdf n GLY 399 Ca 0.01 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.18 1.18 -0.21 1.61 -7.23 -1.26 -5.03 120.40 107.28 1jdf s VAL 400 Ca 0.00 -1.70 0.02 0.00 -1.81 0.00 0.00 61.98 58.49 1jdf s VAL 400 Cb 0.00 -1.47 0.04 0.00 0.56 0.00 0.00 36.38 35.51 1jdf s VAL 400 CO 0.00 -0.48 -0.15 -1.61 -0.31 0.00 0.00 175.10 172.55 1jdf s GLU 401 N -2.74 2.52 0.17 4.82 2.02 -1.26 -5.04 118.70 119.19 1jdf s GLU 401 Ca 0.08 -1.00 -0.31 0.00 0.02 0.00 0.00 54.97 53.76 1jdf s GLU 401 Cb -0.04 -2.63 -0.09 0.00 0.10 0.00 0.00 34.13 31.47 1jdf s GLU 401 CO 0.02 -0.38 1.42 -1.50 0.02 0.00 0.00 175.26 174.84 1jdf s ILE 402 N 1.25 3.02 -0.74 -1.63 1.10 -1.26 -1.13 121.20 121.82 1jdf s ILE 402 Ca -0.01 0.77 -0.12 0.00 -0.51 0.00 0.00 60.65 60.79 1jdf s ILE 402 Cb -0.16 -3.50 0.19 0.00 0.15 0.00 0.00 42.46 39.15 1jdf s ILE 402 CO -0.09 0.08 0.65 -0.62 -2.11 0.00 0.00 174.94 172.85 1jdf s ASP 403 N 0.81 6.34 0.51 4.50 3.68 -0.19 -4.80 116.67 127.51 1jdf s ASP 403 Ca 0.63 -2.58 0.24 0.00 2.13 0.00 0.00 52.55 52.97 1jdf s ASP 403 Cb -0.39 -2.13 1.33 0.00 -1.45 0.00 0.00 42.92 40.28 1jdf s ASP 403 CO 0.35 -0.57 1.97 0.24 0.13 0.00 0.00 175.17 177.29 1jdf h MET 404 N 7.79 0.08 -0.19 4.34 2.86 -1.93 -1.30 114.93 126.58 1jdf h MET 404 Ca 0.02 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1jdf h MET 404 Cb 1.03 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 1jdf h MET 404 CO 0.78 0.05 0.10 0.22 1.06 0.00 0.00 176.91 179.13 1jdf h ASP 405 N 0.08 0.25 -0.01 1.22 1.82 -1.94 0.53 116.42 118.37 1jdf h ASP 405 Ca 0.29 -0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 56.82 1jdf h ASP 405 Cb 1.03 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.98 1jdf h ASP 405 CO -0.03 0.28 0.00 1.56 -1.61 0.00 0.00 179.24 179.45 1jdf h GLN 406 N 0.19 0.01 -0.59 0.28 1.08 -1.61 -2.24 115.11 112.24 1jdf h GLN 406 Ca 0.07 -0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.39 1jdf h GLN 406 Cb 0.09 -0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 27.42 1jdf h GLN 406 CO -0.01 0.20 0.00 0.28 -0.95 0.00 0.00 178.83 178.35 1jdf h VAL 407 N -0.18 0.52 -0.17 -0.54 2.07 -1.08 0.60 116.25 117.48 1jdf h VAL 407 Ca 0.00 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 1jdf h VAL 407 Cb 0.19 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1jdf h VAL 407 CO -0.00 0.02 -0.19 0.24 0.02 0.00 0.00 177.57 177.67 1jdf h MET 408 N 0.12 0.28 -0.33 1.57 2.86 -0.77 0.20 114.93 118.87 1jdf h MET 408 Ca 0.31 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 57.77 1jdf h MET 408 Cb 0.48 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1jdf h MET 408 CO -0.50 0.46 -0.17 0.87 1.06 0.00 0.00 176.91 178.63 1jdf h LYS 409 N 0.26 0.69 -0.49 1.72 1.57 -0.44 0.10 116.57 119.99 1jdf h LYS 409 Ca 0.05 -0.31 -0.06 0.00 -1.87 0.00 0.00 60.65 58.46 1jdf h LYS 409 Cb 0.48 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1jdf h LYS 409 CO 0.03 0.91 0.07 0.00 -0.57 0.00 0.00 179.45 179.90 1jdf h ALA 410 N 0.77 1.22 -0.52 3.86 0.00 -0.47 -1.04 119.26 123.08 1jdf h ALA 410 Ca 0.07 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1jdf h ALA 410 Cb 0.71 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1jdf h ALA 410 CO 0.05 0.53 0.06 1.25 0.00 0.00 0.00 179.25 181.14 1jdf h HIS 411 N 0.73 0.94 -0.74 0.00 -0.00 -0.28 -0.92 115.15 114.88 1jdf h HIS 411 Ca 0.16 -0.14 -0.03 0.00 -0.00 0.00 0.00 60.37 60.35 1jdf h HIS 411 Cb 0.34 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.46 1jdf h HIS 411 CO 0.02 0.86 0.33 0.93 -0.00 0.00 0.00 177.93 180.06 1jdf h GLU 412 N 0.75 1.07 -0.74 5.26 5.08 -0.24 -1.14 114.58 124.62 1jdf h GLU 412 Ca 0.15 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1jdf h GLU 412 Cb 0.45 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1jdf h GLU 412 CO 0.02 0.84 0.28 1.25 -1.00 0.00 0.00 179.01 180.40 1jdf h LEU 413 N 1.06 1.02 0.33 1.33 5.85 -0.92 0.86 115.31 124.84 1jdf h LEU 413 Ca 0.25 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1jdf h LEU 413 Cb 0.15 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.91 1jdf h LEU 413 CO -0.03 0.92 -0.16 0.22 -0.34 0.00 0.00 178.44 179.05 1jdf h TYR 414 N 1.08 -0.42 -0.65 1.25 5.03 -0.54 -2.85 116.97 119.88 1jdf h TYR 414 Ca 0.25 -0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.48 1jdf h TYR 414 Cb 0.23 0.14 -0.03 0.00 1.55 0.00 0.00 36.73 38.62 1jdf h TYR 414 CO 0.02 -0.20 0.15 1.96 -1.32 0.00 0.00 178.16 178.77 1jdf h GLN 415 N -0.54 1.02 -0.49 1.82 1.08 -1.09 -2.62 115.11 114.29 1jdf h GLN 415 Ca -0.05 -0.24 0.06 0.00 -1.45 0.00 0.00 58.65 56.98 1jdf h GLN 415 Cb 0.40 -0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 27.64 1jdf h GLN 415 CO 0.08 0.91 0.19 -0.22 -0.95 0.00 0.00 178.83 178.83 1jdf h LYS 416 N 0.97 0.36 -0.61 1.46 3.64 -0.75 -2.64 116.57 119.00 1jdf h LYS 416 Ca 0.20 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1jdf h LYS 416 Cb 0.35 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1jdf h LYS 416 CO 0.00 0.24 0.00 0.72 -2.27 0.00 0.00 179.45 178.14 1jdf n HIS 417 N -4.99 0.96 -4.33 1.91 8.25 -1.08 -4.94 115.22 111.00 1jdf n HIS 417 Ca 0.05 -0.43 -0.38 0.00 -0.26 0.00 0.00 57.72 56.69 1jdf n HIS 417 Cb 0.18 -0.08 -0.05 0.00 1.12 0.00 0.00 29.99 31.17 1jdf n HIS 417 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jdf n GLY 418 N 1.28 -0.42 3.73 -1.41 0.00 -1.00 -4.91 105.19 102.46 1jdf n GLY 418 Ca 0.20 0.11 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 1jdf n GLY 418 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jdf s LEU 419 N -7.26 1.67 0.00 0.99 1.43 -1.10 -5.06 118.68 109.34 1jdf s LEU 419 Ca 0.75 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 1jdf s LEU 419 Cb -0.42 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 42.80 1jdf s LEU 419 CO 0.96 -3.08 0.00 0.61 0.23 0.00 0.00 176.35 175.08 1jdf n GLY 420 N -1.79 2.13 3.59 -3.19 0.00 -1.26 -4.96 105.19 99.71 1jdf n GLY 420 Ca 0.08 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.02 -1.73 4.61 0.00 -1.26 -4.49 120.51 114.61 1jdf n ALA 421 Ca 0.00 0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 1jdf n ALA 421 Cb 0.00 -2.05 -0.01 0.00 0.00 0.00 0.00 19.45 17.39 1jdf n ALA 421 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1jdf n ARG 422 N -0.21 2.45 -3.38 0.00 0.63 -1.26 -5.00 116.66 109.89 1jdf n ARG 422 Ca 0.11 0.86 -0.17 0.00 -0.92 0.00 0.00 57.85 57.73 1jdf n ARG 422 Cb 0.43 -2.55 -0.08 0.00 0.45 0.00 0.00 32.46 30.70 1jdf n ARG 422 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1jdf s ASP 423 N 0.01 1.39 0.18 6.15 3.68 -1.26 -5.02 116.67 121.80 1jdf s ASP 423 Ca 0.58 -1.30 0.25 0.00 2.13 0.00 0.00 52.55 54.21 1jdf s ASP 423 Cb -0.53 0.52 0.90 0.00 -1.45 0.00 0.00 42.92 42.37 1jdf s ASP 423 CO 0.58 -0.31 1.76 0.47 0.13 0.00 0.00 175.17 177.80 1jdf n ASP 424 N 4.62 0.61 0.08 -0.34 10.43 -1.26 -3.45 116.55 127.24 1jdf n ASP 424 Ca 0.06 0.59 -0.03 0.00 2.57 0.00 0.00 54.79 57.98 1jdf n ASP 424 Cb 0.45 -0.74 0.18 0.00 1.84 0.00 0.00 41.12 42.86 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 2.51 1.00 -0.26 2.24 0.00 -1.82 -2.05 119.26 120.89 1jdf h ALA 425 Ca 0.00 -0.46 0.06 0.00 0.00 0.00 0.00 54.91 54.51 1jdf h ALA 425 Cb 0.57 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 1jdf h ALA 425 CO 0.00 0.64 -0.30 1.98 0.00 0.00 0.00 179.25 181.57 1jdf h MET 426 N 0.21 -0.29 -0.51 0.00 1.85 -1.87 -2.43 114.93 111.88 1jdf h MET 426 Ca 0.01 0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 59.08 1jdf h MET 426 Cb 0.92 0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.99 1jdf h MET 426 CO 0.07 -0.20 0.14 0.78 -0.40 0.00 0.00 176.91 177.31 1jdf h GLY 427 N -0.31 0.82 1.81 1.39 0.00 -1.76 -2.89 103.07 102.14 1jdf h GLY 427 Ca 0.13 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 47.02 1jdf h GLY 427 CO -0.43 0.42 0.12 -0.33 0.00 0.00 0.00 176.54 176.32 1jdf h MET 428 N 0.75 0.21 -0.47 4.80 2.86 -1.51 -2.73 114.93 118.85 1jdf h MET 428 Ca 0.17 -0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.93 1jdf h MET 428 Cb 0.25 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1jdf h MET 428 CO -0.01 0.14 0.42 1.96 1.06 0.00 0.00 176.91 180.49 1jdf h GLN 429 N 0.22 0.00 0.00 1.72 1.08 -1.36 0.62 115.11 117.39 1jdf h GLN 429 Ca 0.07 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.06 1jdf h GLN 429 Cb 0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 1jdf h GLN 429 CO -0.01 0.00 -1.13 1.88 -0.95 0.00 0.00 178.83 178.62 1jdf h TYR 430 N 0.00 0.00 0.09 2.96 -1.99 -1.68 -2.89 116.97 113.46 1jdf h TYR 430 Ca 0.22 0.00 -0.30 0.00 2.00 0.00 0.00 58.73 60.65 1jdf h TYR 430 Cb 1.07 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.78 1jdf h TYR 430 CO 0.00 0.91 -1.53 -0.07 -0.00 0.00 0.00 178.16 177.47 1jdf h LEU 431 N 0.00 0.31 -6.47 3.88 3.38 -0.79 -3.44 115.31 112.19 1jdf h LEU 431 Ca -0.08 -0.45 -0.40 0.00 0.09 0.00 0.00 57.88 57.04 1jdf h LEU 431 Cb 1.77 -0.10 -0.34 0.00 0.09 0.00 0.00 40.66 42.08 1jdf h LEU 431 CO 0.10 1.38 -0.70 -0.63 0.09 0.00 0.00 178.44 178.68 1jdf s ILE 432 N -2.62 -0.27 0.09 1.22 1.01 0.18 -5.13 121.20 115.69 1jdf s ILE 432 Ca -0.08 -0.91 -0.37 0.00 0.00 0.00 0.00 60.65 59.29 1jdf s ILE 432 Cb 0.07 -0.87 -0.17 0.00 0.01 0.00 0.00 42.46 41.51 1jdf s ILE 432 CO 0.84 -0.62 1.34 -2.65 0.00 0.00 0.00 174.94 173.85 1jdf n PRO 433 N 4.65 1.14 -0.96 2.79 -0.02 -1.09 -1.06 135.00 140.45 1jdf n PRO 433 Ca 0.06 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1jdf n PRO 433 Cb 0.44 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 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 2.51 0.64 3.56 -1.23 0.00 -1.26 -4.99 105.19 104.42 1jdf n GLY 434 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.42 1.01 -4.16 1.61 -0.00 -0.22 -5.01 117.44 108.25 1jdf n TRP 435 Ca 0.00 0.74 -0.15 0.00 -0.00 0.00 0.00 57.50 58.09 1jdf n TRP 435 Cb 0.04 -2.21 -0.11 0.00 -0.00 0.00 0.00 31.31 29.03 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 -0.99 0.92 0.28 5.87 -4.23 -1.26 -4.88 115.64 111.35 1jdf s THR 436 Ca 0.60 -1.51 -0.29 0.00 -1.18 0.00 0.00 61.69 59.31 1jdf s THR 436 Cb -0.75 -1.21 -0.10 0.00 1.34 0.00 0.00 72.50 71.78 1jdf s THR 436 CO 0.59 -0.48 1.32 0.12 -0.54 0.00 0.00 174.62 175.63 1jdf s PHE 437 N -2.10 3.14 -0.23 3.99 5.99 -1.26 -5.02 117.98 122.49 1jdf s PHE 437 Ca 0.02 1.31 -0.04 0.00 0.00 0.00 0.00 56.93 58.21 1jdf s PHE 437 Cb -0.05 -3.66 0.08 0.00 0.00 0.00 0.00 43.02 39.39 1jdf s PHE 437 CO 0.00 -1.93 0.13 0.34 -0.00 0.00 0.00 175.22 173.76 1jdf s ASP 438 N -0.12 2.74 0.00 6.13 3.68 -1.26 -5.02 116.67 122.81 1jdf s ASP 438 Ca 0.53 -0.87 0.04 0.00 2.13 0.00 0.00 52.55 54.38 1jdf s ASP 438 Cb -0.39 -0.21 0.24 0.00 -1.45 0.00 0.00 42.92 41.11 1jdf s ASP 438 CO 0.46 -0.39 0.68 -0.46 0.13 0.00 0.00 175.17 175.59 1jdf n ASN 439 N 5.27 0.00 -0.32 -0.34 2.04 -1.26 -1.97 115.26 118.69 1jdf n ASN 439 Ca -0.06 -0.76 0.04 0.00 -0.44 0.00 0.00 54.58 53.35 1jdf n ASN 439 Cb 0.46 0.00 0.05 0.00 -2.53 0.00 0.00 39.78 37.76 1jdf n ASN 439 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1jdf n LYS 440 N -0.64 0.53 -3.52 -3.83 4.76 -1.26 -4.05 118.16 110.16 1jdf n LYS 440 Ca 0.03 -1.60 -0.12 0.00 -2.87 0.00 0.00 58.31 53.75 1jdf n LYS 440 Cb 0.01 -0.89 -0.11 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 -1.11 0.26 0.15 1.97 3.52 -0.83 -4.75 118.95 118.16 1jdf s ARG 441 Ca 0.12 0.62 -0.32 0.00 -0.13 0.00 0.00 55.73 56.02 1jdf s ARG 441 Cb 0.11 -0.36 -0.18 0.00 -1.56 0.00 0.00 34.95 32.97 1jdf s ARG 441 CO 0.01 -0.48 0.76 -2.30 -0.81 0.00 0.00 175.30 172.49 1jdf n PRO 442 N 5.36 0.19 -0.32 5.12 -0.02 -1.26 -4.64 135.00 139.42 1jdf n PRO 442 Ca -0.06 0.07 0.18 0.00 -2.02 0.00 0.00 63.50 61.67 1jdf n PRO 442 Cb 0.50 -1.28 0.42 0.00 -0.02 0.00 0.00 33.50 33.12 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 -4.69 0.05 -2.81 0.00 2.81 -0.31 -4.59 117.12 107.57 1jdf n MET 444 Ca 0.24 0.03 -0.43 0.00 -1.81 0.00 0.00 57.70 55.73 1jdf n MET 444 Cb 0.71 -1.55 -0.03 0.00 -0.71 0.00 0.00 33.22 31.64 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 -3.02 4.37 0.00 2.03 1.01 -0.11 -5.03 120.40 119.65 1jdf s VAL 445 Ca 0.12 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1jdf s VAL 445 Cb 0.17 -4.81 0.00 0.00 0.00 0.00 0.00 36.38 31.74 1jdf s VAL 445 CO 0.59 -1.60 0.00 0.54 0.00 0.00 0.00 175.10 174.63