#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jka s GLN 23 N 0.00 4.11 -0.06 3.69 -1.52 0.99 -4.92 119.66 121.95 2jka s GLN 23 Ca 0.00 0.66 0.02 0.00 -1.95 0.00 0.00 55.36 54.09 2jka s GLN 23 Cb 0.00 -3.02 0.01 0.00 -0.22 0.00 0.00 33.01 29.78 2jka s GLN 23 CO 0.00 0.51 -0.13 0.21 -0.25 0.00 0.00 175.29 175.64 2jka s LYS 24 N -1.69 1.71 -0.03 2.91 2.20 -1.26 -0.83 119.74 122.75 2jka s LYS 24 Ca 0.36 -0.43 0.05 0.00 -0.36 0.00 0.00 55.97 55.60 2jka s LYS 24 Cb -0.17 -1.41 -0.01 0.00 -1.51 0.00 0.00 37.83 34.73 2jka s LYS 24 CO 0.20 0.04 -0.20 -1.17 -0.36 0.00 0.00 175.35 173.86 2jka s LEU 25 N 0.61 1.99 0.05 5.43 2.96 0.50 -4.98 118.68 125.24 2jka s LEU 25 Ca -0.14 -0.38 0.08 0.00 -0.22 0.00 0.00 54.13 53.47 2jka s LEU 25 Cb -0.15 -1.06 -0.03 0.00 0.50 0.00 0.00 46.19 45.45 2jka s LEU 25 CO 0.04 0.21 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.16 2jka s THR 26 N -0.22 1.79 0.87 3.68 2.01 -1.26 0.22 115.64 122.73 2jka s THR 26 Ca 0.01 -1.26 -0.11 0.00 0.31 0.00 0.00 61.69 60.64 2jka s THR 26 Cb -0.10 -1.55 0.12 0.00 0.01 0.00 0.00 72.50 70.98 2jka s THR 26 CO 0.01 0.23 1.15 -0.94 -0.69 0.00 0.00 174.62 174.39 2jka s SER 27 N -1.23 3.26 0.44 3.53 1.04 0.35 -4.62 113.70 116.47 2jka s SER 27 Ca 0.09 2.18 0.10 0.00 0.48 0.00 0.00 55.95 58.80 2jka s SER 27 Cb -0.09 -2.57 0.99 0.00 0.10 0.00 0.00 66.02 64.45 2jka s SER 27 CO 0.02 -2.88 2.08 -0.65 0.98 0.00 0.00 173.24 172.79 2jka h PRO 28 N -1.57 0.38 -0.45 4.02 0.11 -1.86 -0.96 132.00 131.68 2jka h PRO 28 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2jka h PRO 28 Cb 1.27 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2jka h PRO 28 CO 0.44 0.25 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 2jka n ASP 29 N -4.49 2.54 0.00 -2.05 5.68 -1.26 -4.94 116.55 112.04 2jka n ASP 29 Ca 0.02 -1.97 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 2jka n ASP 29 Cb 0.10 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 2jka n ASP 29 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2jka n ASN 30 N 0.89 -2.08 0.10 -1.12 4.13 -0.36 -4.85 115.26 111.96 2jka n ASN 30 Ca 0.16 0.00 -0.00 0.00 1.68 0.00 0.00 54.58 56.42 2jka n ASN 30 Cb 0.41 -1.85 -0.03 0.00 -1.54 0.00 0.00 39.78 36.78 2jka n ASN 30 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 2jka h ASN 31 N 0.00 0.00 -3.47 6.41 -0.26 -1.92 -3.45 115.58 112.88 2jka h ASN 31 Ca 0.00 0.00 -0.66 0.00 -0.56 0.00 0.00 56.30 55.08 2jka h ASN 31 Cb 0.26 0.00 -0.20 0.00 -1.06 0.00 0.00 38.32 37.32 2jka h ASN 31 CO 0.00 0.63 -0.68 -0.76 -1.06 0.00 0.00 177.43 175.56 2jka s LEU 32 N -6.38 3.20 -0.08 1.61 1.02 -1.26 -0.60 118.68 116.19 2jka s LEU 32 Ca 0.02 -0.07 0.01 0.00 0.02 0.00 0.00 54.13 54.11 2jka s LEU 32 Cb 0.08 -1.73 0.02 0.00 0.02 0.00 0.00 46.19 44.58 2jka s LEU 32 CO 0.77 0.28 -0.11 -0.69 0.02 0.00 0.00 176.35 176.62 2jka s VAL 33 N -0.29 1.14 -0.20 -1.59 1.01 -0.86 -0.49 120.40 119.11 2jka s VAL 33 Ca 0.04 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 2jka s VAL 33 Cb -0.13 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 2jka s VAL 33 CO 0.02 0.37 -0.00 -0.32 0.00 0.00 0.00 175.10 175.17 2jka s MET 34 N 0.99 3.60 -0.11 2.72 1.75 0.13 -1.71 119.30 126.67 2jka s MET 34 Ca -0.08 -0.53 -0.02 0.00 -1.25 0.00 0.00 55.69 53.80 2jka s MET 34 Cb -0.15 -3.07 -0.03 0.00 2.84 0.00 0.00 34.83 34.42 2jka s MET 34 CO -0.00 0.00 -0.01 0.99 -0.65 0.00 0.00 175.02 175.35 2jka s THR 35 N 1.02 4.22 -0.01 10.11 2.01 -0.59 -0.37 115.64 132.03 2jka s THR 35 Ca 0.02 -0.27 0.05 0.00 0.31 0.00 0.00 61.69 61.80 2jka s THR 35 Cb -0.14 -2.80 -0.01 0.00 0.01 0.00 0.00 72.50 69.56 2jka s THR 35 CO 0.02 0.57 -0.17 0.12 -0.69 0.00 0.00 174.62 174.47 2jka s PHE 36 N -0.53 1.51 0.17 4.92 5.36 -0.01 -1.15 117.98 128.25 2jka s PHE 36 Ca 0.09 -0.30 -0.21 0.00 -0.96 0.00 0.00 56.93 55.55 2jka s PHE 36 Cb -0.12 -0.98 0.06 0.00 -0.34 0.00 0.00 43.02 41.64 2jka s PHE 36 CO 0.02 -0.04 0.56 -0.65 -1.46 0.00 0.00 175.22 173.66 2jka s GLN 37 N -0.36 1.29 0.04 10.12 -1.52 -0.63 -0.01 119.66 128.60 2jka s GLN 37 Ca 0.06 -0.59 -0.12 0.00 -1.95 0.00 0.00 55.36 52.76 2jka s GLN 37 Cb -0.07 0.56 -0.06 0.00 -0.22 0.00 0.00 33.01 33.23 2jka s GLN 37 CO -0.00 -0.55 0.39 0.14 -0.25 0.00 0.00 175.29 175.02 2jka s VAL 38 N -3.79 5.08 0.43 1.09 -7.23 -1.26 -0.27 120.40 114.46 2jka s VAL 38 Ca 0.03 0.59 -0.07 0.00 -1.81 0.00 0.00 61.98 60.71 2jka s VAL 38 Cb -0.01 -3.66 0.10 0.00 0.56 0.00 0.00 36.38 33.37 2jka s VAL 38 CO -0.10 0.40 0.56 -0.90 -0.31 0.00 0.00 175.10 174.75 2jka n ASP 39 N 1.27 -0.13 0.10 4.85 5.68 -0.07 -4.83 116.55 123.42 2jka n ASP 39 Ca -0.11 -1.16 0.10 0.00 -0.50 0.00 0.00 54.79 53.13 2jka n ASP 39 Cb 0.52 -0.43 0.44 0.00 -1.14 0.00 0.00 41.12 40.51 2jka n ASP 39 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2jka n SER 40 N -3.42 0.47 -1.14 -1.12 3.41 -1.26 -0.81 113.62 109.76 2jka n SER 40 Ca 0.07 0.64 0.09 0.00 -0.26 0.00 0.00 58.87 59.41 2jka n SER 40 Cb 0.25 -0.73 0.27 0.00 -0.26 0.00 0.00 64.21 63.74 2jka n SER 40 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2jka n LYS 41 N -2.04 2.92 -1.55 4.33 4.81 -1.26 -4.97 118.16 120.39 2jka n LYS 41 Ca 0.02 -2.51 -0.02 0.00 -0.87 0.00 0.00 58.31 54.93 2jka n LYS 41 Cb 0.17 -1.53 -0.00 0.00 0.02 0.00 0.00 35.03 33.69 2jka n LYS 41 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jka n GLY 42 N 1.15 0.40 3.66 3.14 0.00 0.01 -0.84 105.19 112.70 2jka n GLY 42 Ca 0.20 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 2jka n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jka s ALA 43 N -2.07 3.55 0.08 4.61 0.00 -1.26 -1.62 121.76 125.06 2jka s ALA 43 Ca 0.00 -0.28 -0.34 0.00 0.00 0.00 0.00 51.96 51.35 2jka s ALA 43 Cb 0.00 -2.98 -0.13 0.00 0.00 0.00 0.00 23.12 20.01 2jka s ALA 43 CO 0.00 -0.58 1.71 -2.30 0.00 0.00 0.00 175.76 174.59 2jka n PRO 44 N 5.10 2.25 -4.11 0.00 -0.02 -1.26 -0.89 135.00 136.07 2jka n PRO 44 Ca -0.01 0.82 -0.19 0.00 -2.02 0.00 0.00 63.50 62.10 2jka n PRO 44 Cb 0.50 -2.63 -0.16 0.00 -0.02 0.00 0.00 33.50 31.19 2jka n PRO 44 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2jka s THR 45 N 2.13 0.43 0.19 3.45 2.01 0.63 -1.16 115.64 123.31 2jka s THR 45 Ca 0.83 -0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.81 2jka s THR 45 Cb -0.66 -0.46 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 2jka s THR 45 CO 0.42 0.19 -0.10 -0.72 -0.69 0.00 0.00 174.62 173.72 2jka s TYR 46 N 0.82 1.54 0.09 4.92 -0.85 -0.11 -1.60 117.35 122.16 2jka s TYR 46 Ca -0.10 -0.70 -0.13 0.00 -0.52 0.00 0.00 57.07 55.62 2jka s TYR 46 Cb -0.13 -0.78 0.02 0.00 0.38 0.00 0.00 41.96 41.45 2jka s TYR 46 CO -0.00 0.19 0.29 -1.83 -1.52 0.00 0.00 175.55 172.68 2jka s GLU 47 N -3.72 0.92 -0.03 -3.49 -1.05 -0.30 -0.95 118.70 110.09 2jka s GLU 47 Ca 0.22 -0.76 -0.00 0.00 -0.15 0.00 0.00 54.97 54.27 2jka s GLU 47 Cb 0.02 0.39 0.03 0.00 -0.44 0.00 0.00 34.13 34.13 2jka s GLU 47 CO 0.05 -0.32 0.03 -1.17 0.95 0.00 0.00 175.26 174.79 2jka s LEU 48 N -2.66 0.95 0.18 1.83 2.96 -0.44 -1.54 118.68 119.96 2jka s LEU 48 Ca 0.02 0.02 0.11 0.00 -0.22 0.00 0.00 54.13 54.06 2jka s LEU 48 Cb 0.02 -0.13 -0.04 0.00 0.50 0.00 0.00 46.19 46.54 2jka s LEU 48 CO -0.10 -0.14 -0.20 0.42 -1.32 0.00 0.00 176.35 175.01 2jka s THR 49 N 1.24 2.59 -0.07 3.68 -4.23 -0.69 -0.14 115.64 118.01 2jka s THR 49 Ca -0.07 -1.86 -0.00 0.00 -1.18 0.00 0.00 61.69 58.58 2jka s THR 49 Cb -0.13 -2.24 0.02 0.00 1.34 0.00 0.00 72.50 71.50 2jka s THR 49 CO -0.03 -0.07 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.47 2jka s TYR 50 N -1.56 0.97 -1.54 3.99 5.04 0.26 -2.02 117.35 122.48 2jka s TYR 50 Ca 0.21 -0.36 -0.04 0.00 -2.44 0.00 0.00 57.07 54.44 2jka s TYR 50 Cb -0.09 -0.89 0.04 0.00 0.35 0.00 0.00 41.96 41.37 2jka s TYR 50 CO 0.11 -0.33 0.28 1.63 -1.34 0.00 0.00 175.55 175.90 2jka n LYS 51 N 4.66 -2.02 -1.33 4.97 5.02 0.24 -0.10 118.16 129.60 2jka n LYS 51 Ca -0.15 0.24 -0.12 0.00 -2.02 0.00 0.00 58.31 56.26 2jka n LYS 51 Cb 0.50 -4.18 -0.05 0.00 -0.02 0.00 0.00 35.03 31.28 2jka n LYS 51 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2jka n ASN 52 N -2.87 -5.37 -4.62 4.39 3.02 -1.26 -4.99 115.26 103.55 2jka n ASN 52 Ca -0.24 0.29 -0.34 0.00 -0.03 0.00 0.00 54.58 54.25 2jka n ASN 52 Cb 0.65 -3.89 -0.10 0.00 -0.61 0.00 0.00 39.78 35.83 2jka n ASN 52 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2jka s LYS 53 N -2.88 2.93 0.04 3.52 1.02 0.86 -5.08 119.74 120.14 2jka s LYS 53 Ca 0.00 -0.48 -0.31 0.00 0.02 0.00 0.00 55.97 55.21 2jka s LYS 53 Cb 0.00 -2.71 -0.06 0.00 -0.52 0.00 0.00 37.83 34.54 2jka s LYS 53 CO 0.00 0.65 1.31 0.08 -0.92 0.00 0.00 175.35 176.47 2jka s VAL 54 N -0.76 3.78 -0.22 3.17 1.01 -1.26 0.88 120.40 127.00 2jka s VAL 54 Ca 0.12 1.23 -0.10 0.00 0.00 0.00 0.00 61.98 63.23 2jka s VAL 54 Cb -0.11 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.38 2jka s VAL 54 CO 0.02 0.05 -0.27 0.52 0.00 0.00 0.00 175.10 175.42 2jka n VAL 55 N 4.25 1.21 -4.08 2.92 0.31 0.80 -4.78 118.33 118.96 2jka n VAL 55 Ca 0.11 -0.33 -0.32 0.00 -0.01 0.00 0.00 64.34 63.79 2jka n VAL 55 Cb 0.44 -1.73 -0.16 0.00 -0.91 0.00 0.00 33.84 31.49 2jka n VAL 55 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2jka s ILE 56 N -2.41 2.04 0.92 2.52 -1.09 -0.49 -4.38 121.20 118.32 2jka s ILE 56 Ca -0.31 -1.26 -0.11 0.00 -2.23 0.00 0.00 60.65 56.75 2jka s ILE 56 Cb 0.11 -2.02 0.15 0.00 -1.58 0.00 0.00 42.46 39.12 2jka s ILE 56 CO 0.40 0.23 1.11 -0.54 -1.23 0.00 0.00 174.94 174.91 2jka s LYS 57 N 1.22 1.02 -0.20 2.79 1.02 -0.38 -1.32 119.74 123.89 2jka s LYS 57 Ca -0.02 1.30 -0.41 0.00 0.02 0.00 0.00 55.97 56.86 2jka s LYS 57 Cb -0.17 -1.75 -0.18 0.00 -0.52 0.00 0.00 37.83 35.22 2jka s LYS 57 CO -0.09 -2.55 1.49 -2.30 -0.92 0.00 0.00 175.35 170.99 2jka n PRO 58 N -4.15 0.66 -3.88 -1.68 -0.02 -1.26 -4.34 135.00 120.33 2jka n PRO 58 Ca 0.10 0.24 -0.11 0.00 -2.02 0.00 0.00 63.50 61.70 2jka n PRO 58 Cb 0.53 -1.84 -0.13 0.00 -0.02 0.00 0.00 33.50 32.05 2jka n PRO 58 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2jka s SER 59 N 2.06 0.01 0.34 2.55 0.01 -0.12 -4.78 113.70 113.76 2jka s SER 59 Ca 0.95 -0.04 0.02 0.00 1.31 0.00 0.00 55.95 58.20 2jka s SER 59 Cb -1.19 0.11 -0.03 0.00 0.21 0.00 0.00 66.02 65.13 2jka s SER 59 CO 0.64 -0.10 0.51 0.42 0.41 0.00 0.00 173.24 175.12 2jka s THR 60 N -0.38 4.86 -0.02 1.44 -4.23 -1.26 -0.93 115.64 115.12 2jka s THR 60 Ca -0.04 -0.65 0.03 0.00 -1.18 0.00 0.00 61.69 59.84 2jka s THR 60 Cb -0.03 -3.75 -0.00 0.00 1.34 0.00 0.00 72.50 70.06 2jka s THR 60 CO -0.00 -0.43 -0.09 -0.76 -0.54 0.00 0.00 174.62 172.81 2jka s LEU 61 N -4.26 1.90 0.00 4.79 1.43 -0.31 -1.31 118.68 120.92 2jka s LEU 61 Ca 0.40 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 2jka s LEU 61 Cb -0.09 -0.49 0.00 0.00 0.03 0.00 0.00 46.19 45.63 2jka s LEU 61 CO 0.34 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.62 2jka n GLY 62 N 3.07 -0.88 3.24 -3.19 0.00 -1.15 -4.21 105.19 102.07 2jka n GLY 62 Ca -0.16 -1.18 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 2jka n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jka s LEU 63 N 0.00 2.42 -0.10 0.99 1.02 0.80 -0.32 118.68 123.48 2jka s LEU 63 Ca 0.00 -0.84 -0.00 0.00 0.02 0.00 0.00 54.13 53.31 2jka s LEU 63 Cb 0.00 -0.49 -0.03 0.00 0.02 0.00 0.00 46.19 45.69 2jka s LEU 63 CO 0.00 -0.18 -0.08 -0.70 0.02 0.00 0.00 176.35 175.40 2jka s GLU 64 N -2.84 3.10 0.08 1.70 2.12 0.04 -1.35 118.70 121.55 2jka s GLU 64 Ca 0.10 -0.59 0.02 0.00 0.36 0.00 0.00 54.97 54.86 2jka s GLU 64 Cb -0.04 -2.66 -0.04 0.00 0.26 0.00 0.00 34.13 31.65 2jka s GLU 64 CO 0.02 0.45 0.14 -0.51 -0.54 0.00 0.00 175.26 174.83 2jka s LEU 65 N -0.25 4.03 0.39 2.70 1.43 0.56 -0.60 118.68 126.94 2jka s LEU 65 Ca 0.03 0.09 -0.27 0.00 -1.03 0.00 0.00 54.13 52.95 2jka s LEU 65 Cb -0.13 -2.67 -0.09 0.00 0.03 0.00 0.00 46.19 43.33 2jka s LEU 65 CO 0.03 0.16 1.33 -0.75 0.23 0.00 0.00 176.35 177.34 2jka s LYS 66 N -2.54 4.07 0.28 1.70 2.20 0.07 -4.55 119.74 120.97 2jka s LYS 66 Ca 0.32 2.24 -0.29 0.00 -0.36 0.00 0.00 55.97 57.87 2jka s LYS 66 Cb -0.12 -2.86 -0.10 0.00 -1.51 0.00 0.00 37.83 33.24 2jka s LYS 66 CO 0.25 -0.44 1.27 0.21 -0.36 0.00 0.00 175.35 176.28 2jka s LYS 67 N -2.12 4.42 0.11 4.03 2.20 -1.26 -4.76 119.74 122.36 2jka s LYS 67 Ca 0.55 2.08 -0.15 0.00 -0.36 0.00 0.00 55.97 58.09 2jka s LYS 67 Cb -0.40 -3.13 -0.05 0.00 -1.51 0.00 0.00 37.83 32.73 2jka s LYS 67 CO 0.52 -0.13 1.50 0.93 -0.36 0.00 0.00 175.35 177.81 2jka h GLU 68 N 4.15 0.67 0.00 4.03 5.08 -1.98 -3.51 114.58 123.01 2jka h GLU 68 Ca -0.47 -0.27 -0.31 0.00 -1.00 0.00 0.00 59.36 57.31 2jka h GLU 68 Cb 1.22 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 2jka h GLU 68 CO 0.70 0.85 -2.00 -0.25 -1.00 0.00 0.00 179.01 177.31 2jka n ASP 87 N -4.39 1.57 0.24 1.42 8.00 -1.26 -5.21 116.55 116.92 2jka n ASP 87 Ca -0.02 0.27 0.08 0.00 0.71 0.00 0.00 54.79 55.83 2jka n ASP 87 Cb 0.36 -0.64 0.60 0.00 -0.02 0.00 0.00 41.12 41.42 2jka n ASP 87 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2jka h SER 88 N -0.78 0.00 0.82 -2.24 0.87 -1.97 -2.00 113.55 108.25 2jka h SER 88 Ca -0.47 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.08 2jka h SER 88 Cb 1.38 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.34 2jka h SER 88 CO -0.28 0.13 -0.03 0.11 -0.53 0.00 0.00 176.83 176.23 2jka h LYS 89 N 0.00 0.00 0.00 2.24 1.57 -1.98 -2.30 116.57 116.09 2jka h LYS 89 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jka h LYS 89 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2jka h LYS 89 CO 0.02 0.03 0.00 1.79 -0.57 0.00 0.00 179.45 180.71 2jka h THR 90 N 0.00 0.00 -3.17 -0.16 1.35 -1.60 -3.42 112.91 105.92 2jka h THR 90 Ca -0.00 -0.38 -0.61 0.00 -0.55 0.00 0.00 66.41 64.87 2jka h THR 90 Cb 0.44 1.24 -0.12 0.00 -1.73 0.00 0.00 68.15 67.98 2jka h THR 90 CO 0.00 0.00 0.57 0.21 -0.25 0.00 0.00 175.52 176.05 2jka s ASN 91 N -4.81 6.33 -0.34 5.36 3.84 -0.87 -0.32 114.94 124.13 2jka s ASN 91 Ca 0.04 -0.39 0.06 0.00 0.21 0.00 0.00 52.86 52.79 2jka s ASN 91 Cb 0.09 -2.44 0.45 0.00 -0.55 0.00 0.00 41.25 38.80 2jka s ASN 91 CO 0.47 -1.24 1.16 -0.11 -2.79 0.00 0.00 177.10 174.59 2jka n LEU 92 N 7.49 4.84 0.00 3.21 7.94 -0.46 -4.78 117.00 135.24 2jka n LEU 92 Ca 0.01 -4.91 0.00 0.00 -1.11 0.00 0.00 56.01 50.00 2jka n LEU 92 Cb 0.47 -0.38 0.00 0.00 0.53 0.00 0.00 43.42 44.04 2jka n LEU 92 CO 0.64 2.15 -0.18 0.00 -1.11 0.00 0.00 177.39 178.89 2jka n TYR 93 N -0.63 0.00 -3.30 1.96 0.18 -1.08 -0.14 117.16 114.15 2jka n TYR 93 Ca 0.42 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.20 2jka n TYR 93 Cb 0.86 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.82 2jka n TYR 93 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 2jka n ASP 94 N -0.60 0.00 -0.18 9.48 5.68 -1.26 -4.30 116.55 125.37 2jka n ASP 94 Ca 0.00 -0.68 -0.02 0.00 -0.50 0.00 0.00 54.79 53.58 2jka n ASP 94 Cb 0.00 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 2jka n ASP 94 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jka n GLY 95 N 0.00 0.57 3.88 6.12 0.00 -0.02 -4.89 105.19 110.85 2jka n GLY 95 Ca 0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 2jka n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jka s PHE 96 N -2.00 3.43 0.02 1.61 0.08 -0.64 -3.92 117.98 116.57 2jka s PHE 96 Ca 0.00 0.89 0.05 0.00 0.12 0.00 0.00 56.93 57.98 2jka s PHE 96 Cb 0.00 -2.28 -0.02 0.00 -0.57 0.00 0.00 43.02 40.15 2jka s PHE 96 CO 0.00 0.18 -0.14 -1.83 -0.10 0.00 0.00 175.22 173.33 2jka s GLU 97 N -3.11 1.00 -0.23 0.44 -1.05 0.48 -4.45 118.70 111.78 2jka s GLU 97 Ca 0.48 -0.68 -0.29 0.00 -0.15 0.00 0.00 54.97 54.33 2jka s GLU 97 Cb -0.11 -0.99 -0.02 0.00 -0.44 0.00 0.00 34.13 32.57 2jka s GLU 97 CO 0.24 0.25 1.47 0.08 0.95 0.00 0.00 175.26 178.25 2jka s VAL 98 N -0.68 3.90 -0.11 1.83 1.01 -1.26 -1.28 120.40 123.81 2jka s VAL 98 Ca 0.03 1.03 0.06 0.00 0.00 0.00 0.00 61.98 63.10 2jka s VAL 98 Cb -0.07 -3.87 -0.24 0.00 0.00 0.00 0.00 36.38 32.20 2jka s VAL 98 CO 0.01 -0.32 0.41 1.17 0.00 0.00 0.00 175.10 176.37 2jka n LYS 99 N 7.39 0.68 -3.56 2.72 4.81 0.68 -4.95 118.16 125.94 2jka n LYS 99 Ca 0.17 0.24 -0.06 0.00 -0.87 0.00 0.00 58.31 57.78 2jka n LYS 99 Cb 0.45 -1.71 -0.02 0.00 0.02 0.00 0.00 35.03 33.78 2jka n LYS 99 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2jka s ASP 100 N -6.37 -0.28 0.02 3.14 1.47 -1.21 -5.00 116.67 108.44 2jka s ASP 100 Ca -0.14 -0.06 0.01 0.00 1.18 0.00 0.00 52.55 53.54 2jka s ASP 100 Cb 0.07 0.34 -0.02 0.00 -0.34 0.00 0.00 42.92 42.98 2jka s ASP 100 CO 0.79 -0.57 -0.05 0.42 0.68 0.00 0.00 175.17 176.44 2jka s THR 101 N -2.98 0.33 -0.00 2.11 -4.23 -1.26 -0.34 115.64 109.27 2jka s THR 101 Ca 0.07 -0.77 0.03 0.00 -1.18 0.00 0.00 61.69 59.84 2jka s THR 101 Cb -0.01 -0.40 -0.01 0.00 1.34 0.00 0.00 72.50 73.43 2jka s THR 101 CO -0.06 -0.29 -0.09 -1.10 -0.54 0.00 0.00 174.62 172.53 2jka s GLN 102 N -1.13 0.70 0.13 3.99 1.11 -0.03 -4.99 119.66 119.44 2jka s GLN 102 Ca -0.09 -0.33 0.09 0.00 0.01 0.00 0.00 55.36 55.05 2jka s GLN 102 Cb -0.08 -0.67 -0.04 0.00 -1.01 0.00 0.00 33.01 31.21 2jka s GLN 102 CO -0.00 0.18 -0.22 0.95 0.01 0.00 0.00 175.29 176.21 2jka s THR 103 N -0.24 1.93 0.20 -0.19 -4.23 -1.26 -0.11 115.64 111.73 2jka s THR 103 Ca 0.03 -1.73 -0.17 0.00 -1.18 0.00 0.00 61.69 58.64 2jka s THR 103 Cb -0.04 -1.78 0.02 0.00 1.34 0.00 0.00 72.50 72.05 2jka s THR 103 CO -0.00 -0.09 0.52 0.00 -0.54 0.00 0.00 174.62 174.51 2jka s ALA 104 N -1.38 -0.88 -0.01 3.99 0.00 -0.94 -5.01 121.76 117.53 2jka s ALA 104 Ca 0.12 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.82 2jka s ALA 104 Cb -0.09 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 2jka s ALA 104 CO 0.06 -0.81 -0.11 0.99 0.00 0.00 0.00 175.76 175.89 2jka s THR 105 N -3.89 0.85 -0.01 0.00 2.01 -1.26 -0.76 115.64 112.58 2jka s THR 105 Ca 0.10 -0.45 0.05 0.00 0.31 0.00 0.00 61.69 61.71 2jka s THR 105 Cb -0.01 -0.72 -0.01 0.00 0.01 0.00 0.00 72.50 71.77 2jka s THR 105 CO -0.02 0.24 -0.16 0.12 -0.69 0.00 0.00 174.62 174.12 2jka s PHE 106 N -0.17 1.42 -0.38 4.92 5.36 -0.75 -5.01 117.98 123.38 2jka s PHE 106 Ca 0.03 -0.27 0.06 0.00 -0.96 0.00 0.00 56.93 55.78 2jka s PHE 106 Cb -0.05 -0.91 0.17 0.00 -0.34 0.00 0.00 43.02 41.90 2jka s PHE 106 CO -0.00 -0.02 0.54 0.34 -1.46 0.00 0.00 175.22 174.62 2jka s ASP 107 N -0.42 -0.73 0.01 6.13 2.15 -1.22 -1.35 116.67 121.24 2jka s ASP 107 Ca 0.06 -0.82 -0.01 0.00 0.43 0.00 0.00 52.55 52.21 2jka s ASP 107 Cb -0.06 1.56 -0.01 0.00 -0.30 0.00 0.00 42.92 44.11 2jka s ASP 107 CO -0.00 -0.22 -0.00 -1.61 -0.17 0.00 0.00 175.17 173.16 2jka s GLU 108 N 1.93 0.28 0.02 4.34 0.41 -0.76 -4.98 118.70 119.94 2jka s GLU 108 Ca 0.15 -0.47 0.02 0.00 -0.41 0.00 0.00 54.97 54.26 2jka s GLU 108 Cb -0.08 0.10 -0.04 0.00 -1.78 0.00 0.00 34.13 32.33 2jka s GLU 108 CO -0.10 -0.05 0.02 0.99 -0.49 0.00 0.00 175.26 175.63 2jka s THR 109 N -1.17 4.24 0.14 3.63 2.01 -1.26 0.02 115.64 123.25 2jka s THR 109 Ca -0.13 -0.67 -0.03 0.00 0.31 0.00 0.00 61.69 61.17 2jka s THR 109 Cb -0.08 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 2jka s THR 109 CO -0.01 0.30 0.13 -1.66 -0.69 0.00 0.00 174.62 172.69 2jka s TRP 110 N -1.18 0.74 -0.17 4.92 1.48 -0.05 -4.97 118.94 119.71 2jka s TRP 110 Ca 0.22 -1.10 0.01 0.00 -1.06 0.00 0.00 56.10 54.17 2jka s TRP 110 Cb -0.12 -0.36 0.02 0.00 -1.16 0.00 0.00 33.47 31.86 2jka s TRP 110 CO 0.13 -0.58 -0.19 -0.65 -4.06 0.00 0.00 176.95 171.61 2jka s GLN 111 N -4.03 2.83 0.80 3.25 -0.21 -1.26 -1.22 119.66 119.83 2jka s GLN 111 Ca 0.23 -0.77 -0.11 0.00 0.02 0.00 0.00 55.36 54.73 2jka s GLN 111 Cb 0.06 -2.46 0.07 0.00 1.00 0.00 0.00 33.01 31.68 2jka s GLN 111 CO 0.02 -0.22 1.09 -1.25 -2.12 0.00 0.00 175.29 172.81 2jka s PRO 112 N 1.33 2.01 0.22 2.91 0.04 -1.26 -4.94 135.00 135.31 2jka s PRO 112 Ca 0.05 1.04 -0.02 0.00 0.04 0.00 0.00 61.00 62.12 2jka s PRO 112 Cb -0.13 -1.88 0.19 0.00 0.04 0.00 0.00 34.50 32.73 2jka s PRO 112 CO -0.12 -1.78 1.58 0.28 0.04 0.00 0.00 177.00 176.99 2jka h VAL 113 N -1.22 1.30 -3.38 -0.36 2.07 -1.95 -3.45 116.25 109.27 2jka h VAL 113 Ca -0.45 -1.61 -0.12 0.00 0.82 0.00 0.00 66.70 65.34 2jka h VAL 113 Cb 1.25 1.59 -0.19 0.00 -1.52 0.00 0.00 31.29 32.41 2jka h VAL 113 CO 0.53 0.51 -0.37 -1.66 0.02 0.00 0.00 177.57 176.59 2jka s TRP 114 N -4.21 -0.03 -3.04 1.57 1.48 -1.26 -5.05 118.94 108.41 2jka s TRP 114 Ca -0.07 -0.07 0.00 0.00 -1.06 0.00 0.00 56.10 54.90 2jka s TRP 114 Cb 0.12 0.01 0.00 0.00 -1.16 0.00 0.00 33.47 32.44 2jka s TRP 114 CO 0.83 -0.39 0.00 0.41 -4.06 0.00 0.00 176.95 173.74 2jka n GLY 115 N 1.03 -0.83 0.08 3.67 0.00 -1.26 -4.97 105.19 102.90 2jka n GLY 115 Ca -0.21 -0.97 0.12 0.00 0.00 0.00 0.00 46.02 44.97 2jka n GLY 115 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jka n GLU 116 N 0.00 0.27 -3.78 1.61 1.02 -1.26 -2.46 120.64 116.04 2jka n GLU 116 Ca 0.00 0.14 -0.10 0.00 -0.02 0.00 0.00 57.16 57.18 2jka n GLU 116 Cb 0.00 -1.73 -0.05 0.00 -0.02 0.00 0.00 31.44 29.64 2jka n GLU 116 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2jka s GLU 117 N -3.13 1.15 0.24 3.49 1.03 -1.24 -2.30 118.70 117.94 2jka s GLU 117 Ca 0.08 -0.91 -0.02 0.00 0.03 0.00 0.00 54.97 54.16 2jka s GLU 117 Cb 0.13 0.44 0.29 0.00 -0.80 0.00 0.00 34.13 34.19 2jka s GLU 117 CO 0.66 -0.44 1.68 -0.22 -1.33 0.00 0.00 175.26 175.61 2jka h LYS 118 N 2.42 0.68 -4.21 -4.83 3.64 -1.20 -3.44 116.57 109.64 2jka h LYS 118 Ca -0.32 -0.25 -0.27 0.00 -1.27 0.00 0.00 60.65 58.54 2jka h LYS 118 Cb 1.24 -0.04 -0.25 0.00 -0.41 0.00 0.00 32.23 32.77 2jka h LYS 118 CO 0.46 0.83 -0.73 -1.21 -2.27 0.00 0.00 179.45 176.52 2jka s GLU 119 N -4.64 0.35 -0.08 1.90 2.02 -1.26 -4.04 118.70 112.95 2jka s GLU 119 Ca -0.09 -0.38 0.03 0.00 0.02 0.00 0.00 54.97 54.56 2jka s GLU 119 Cb 0.14 -0.21 0.01 0.00 0.10 0.00 0.00 34.13 34.16 2jka s GLU 119 CO 0.82 0.05 -0.18 0.42 0.02 0.00 0.00 175.26 176.38 2jka s ILE 120 N -0.67 1.56 -0.11 -1.63 1.01 -0.36 -4.97 121.20 116.03 2jka s ILE 120 Ca -0.05 -0.73 -0.17 0.00 0.00 0.00 0.00 60.65 59.70 2jka s ILE 120 Cb -0.05 -1.37 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 2jka s ILE 120 CO -0.00 0.45 0.43 -0.60 0.00 0.00 0.00 174.94 175.21 2jka s ARG 121 N 0.45 4.26 -0.48 2.79 3.52 -1.26 -0.87 118.95 127.36 2jka s ARG 121 Ca -0.15 0.36 -0.04 0.00 -0.13 0.00 0.00 55.73 55.78 2jka s ARG 121 Cb -0.16 -3.40 0.13 0.00 -1.56 0.00 0.00 34.95 29.95 2jka s ARG 121 CO 0.06 0.26 0.29 1.21 -0.81 0.00 0.00 175.30 176.31 2jka s ASN 122 N 0.33 5.33 -0.18 -2.12 2.47 0.10 -4.98 114.94 115.90 2jka s ASN 122 Ca 0.23 -2.25 -0.02 0.00 0.42 0.00 0.00 52.86 51.25 2jka s ASN 122 Cb -0.15 -1.87 0.05 0.00 -1.45 0.00 0.00 41.25 37.84 2jka s ASN 122 CO 0.09 -0.52 -0.00 -2.28 -3.72 0.00 0.00 177.10 170.67 2jka s HIS 123 N 0.83 1.37 0.04 0.43 2.46 -1.26 -1.82 115.29 117.34 2jka s HIS 123 Ca 0.10 -0.97 -0.13 0.00 0.47 0.00 0.00 55.06 54.53 2jka s HIS 123 Cb -0.22 -1.16 0.02 0.00 -0.13 0.00 0.00 32.58 31.09 2jka s HIS 123 CO -0.04 -0.60 0.30 1.52 -2.47 0.00 0.00 174.74 173.45 2jka s TYR 124 N 1.74 -0.09 -0.03 3.88 -0.85 -0.46 -4.55 117.35 116.99 2jka s TYR 124 Ca -0.01 -0.05 -0.13 0.00 -0.52 0.00 0.00 57.07 56.36 2jka s TYR 124 Cb -0.16 0.09 -0.05 0.00 0.38 0.00 0.00 41.96 42.21 2jka s TYR 124 CO -0.07 -0.50 0.36 -0.80 -1.52 0.00 0.00 175.55 173.01 2jka s ASN 125 N -2.08 6.71 -0.02 -0.18 0.01 -0.61 -1.81 114.94 116.97 2jka s ASN 125 Ca -0.05 0.85 0.06 0.00 -0.71 0.00 0.00 52.86 53.01 2jka s ASN 125 Cb -0.01 -2.22 -0.02 0.00 0.41 0.00 0.00 41.25 39.41 2jka s ASN 125 CO -0.03 0.32 -0.20 -0.70 -1.51 0.00 0.00 177.10 174.97 2jka s GLU 126 N -0.94 2.24 -0.10 -0.60 2.12 0.06 -0.19 118.70 121.29 2jka s GLU 126 Ca 0.22 -0.85 0.02 0.00 0.36 0.00 0.00 54.97 54.71 2jka s GLU 126 Cb -0.16 -2.19 0.01 0.00 0.26 0.00 0.00 34.13 32.05 2jka s GLU 126 CO 0.11 0.58 -0.15 -1.17 -0.54 0.00 0.00 175.26 174.09 2jka s LEU 127 N -0.82 1.74 -0.17 2.70 2.96 0.14 -2.23 118.68 123.01 2jka s LEU 127 Ca 0.11 -0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2jka s LEU 127 Cb -0.10 -1.07 -0.02 0.00 0.50 0.00 0.00 46.19 45.50 2jka s LEU 127 CO 0.01 0.03 -0.07 0.00 -1.32 0.00 0.00 176.35 175.00 2jka s ALA 128 N 0.85 2.80 -0.23 5.97 0.00 0.84 0.69 121.76 132.68 2jka s ALA 128 Ca -0.10 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 50.87 2jka s ALA 128 Cb -0.15 -1.49 0.01 0.00 0.00 0.00 0.00 23.12 21.49 2jka s ALA 128 CO 0.01 -0.00 -0.07 0.08 0.00 0.00 0.00 175.76 175.77 2jka s VAL 129 N 0.75 2.97 -0.18 0.00 1.01 -0.26 -0.85 120.40 123.85 2jka s VAL 129 Ca -0.03 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 60.91 2jka s VAL 129 Cb -0.15 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 2jka s VAL 129 CO 0.02 0.34 0.79 -0.89 0.00 0.00 0.00 175.10 175.35 2jka s THR 130 N 1.39 4.91 -0.20 3.92 2.01 0.54 -1.39 115.64 126.82 2jka s THR 130 Ca 0.03 1.54 -0.03 0.00 0.31 0.00 0.00 61.69 63.54 2jka s THR 130 Cb -0.15 -4.10 -0.01 0.00 0.01 0.00 0.00 72.50 68.25 2jka s THR 130 CO -0.05 0.04 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.09 2jka s LEU 131 N 2.12 2.86 -0.12 4.42 1.43 0.11 -0.23 118.68 129.28 2jka s LEU 131 Ca 0.36 -0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 53.06 2jka s LEU 131 Cb -0.16 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2jka s LEU 131 CO 0.12 0.03 0.02 -0.47 0.23 0.00 0.00 176.35 176.28 2jka s TYR 132 N 1.15 3.19 -0.62 0.29 5.04 -0.40 -1.26 117.35 124.74 2jka s TYR 132 Ca 0.02 0.12 -0.04 0.00 -2.44 0.00 0.00 57.07 54.73 2jka s TYR 132 Cb -0.14 -1.89 0.16 0.00 0.35 0.00 0.00 41.96 40.44 2jka s TYR 132 CO -0.01 0.35 0.45 -1.14 -1.34 0.00 0.00 175.55 173.85 2jka s GLN 133 N -0.44 2.61 0.33 4.97 0.74 -0.10 -0.39 119.66 127.38 2jka s GLN 133 Ca 0.08 -2.47 0.06 0.00 0.05 0.00 0.00 55.36 53.09 2jka s GLN 133 Cb -0.12 -3.78 0.73 0.00 1.10 0.00 0.00 33.01 30.94 2jka s GLN 133 CO 0.02 -1.18 1.85 -1.35 -0.55 0.00 0.00 175.29 174.09 2jka h PRO 134 N 7.18 0.77 0.00 1.67 0.11 -1.84 -0.92 132.00 138.96 2jka h PRO 134 Ca -0.02 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 2jka h PRO 134 Cb 0.97 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 2jka h PRO 134 CO 0.72 0.51 -0.04 0.00 -0.21 0.00 0.00 178.00 178.97 2jka h MET 135 N 0.79 0.00 -0.02 1.05 -0.00 -1.94 -1.88 114.93 112.93 2jka h MET 135 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.17 2jka h MET 135 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.26 2jka h MET 135 CO -0.24 0.04 0.00 0.09 -0.00 0.00 0.00 176.91 176.81 2jka n ASN 136 N -3.36 1.62 -4.06 -0.10 5.03 -0.74 -4.99 115.26 108.67 2jka n ASN 136 Ca -0.02 -1.54 -0.27 0.00 0.87 0.00 0.00 54.58 53.62 2jka n ASN 136 Cb 0.18 -0.01 -0.04 0.00 -1.02 0.00 0.00 39.78 38.89 2jka n ASN 136 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2jka n ASP 137 N -0.17 -0.29 -4.03 6.41 2.03 -0.43 -4.92 116.55 115.15 2jka n ASP 137 Ca 0.01 -1.07 -0.07 0.00 0.52 0.00 0.00 54.79 54.18 2jka n ASP 137 Cb 0.15 -2.72 -0.09 0.00 -0.72 0.00 0.00 41.12 37.74 2jka n ASP 137 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jka s ARG 138 N -6.76 0.66 0.12 -0.67 1.70 -1.19 -4.61 118.95 108.20 2jka s ARG 138 Ca 0.07 -1.14 0.09 0.00 -0.47 0.00 0.00 55.73 54.28 2jka s ARG 138 Cb -0.04 0.24 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 2jka s ARG 138 CO 0.92 -0.15 -0.22 -1.12 -1.08 0.00 0.00 175.30 173.65 2jka s SER 139 N -2.87 2.71 0.32 -2.89 0.01 -1.26 -0.93 113.70 108.80 2jka s SER 139 Ca 0.06 -0.73 0.06 0.00 1.31 0.00 0.00 55.95 56.65 2jka s SER 139 Cb 0.07 -0.16 -0.06 0.00 0.21 0.00 0.00 66.02 66.07 2jka s SER 139 CO -0.10 0.07 -0.01 0.27 0.41 0.00 0.00 173.24 173.87 2jka s ILE 140 N -1.30 1.62 -0.08 1.44 -4.36 -0.39 -4.45 121.20 113.69 2jka s ILE 140 Ca 0.09 -2.07 0.04 0.00 -0.26 0.00 0.00 60.65 58.46 2jka s ILE 140 Cb -0.09 -2.68 -0.01 0.00 1.25 0.00 0.00 42.46 40.92 2jka s ILE 140 CO 0.05 -0.14 -0.22 -0.69 0.24 0.00 0.00 174.94 174.18 2jka s VAL 141 N -3.01 2.31 -0.22 8.37 1.01 0.07 0.08 120.40 129.01 2jka s VAL 141 Ca 0.33 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 2jka s VAL 141 Cb 0.06 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 2jka s VAL 141 CO 0.15 0.56 -0.01 -0.63 0.00 0.00 0.00 175.10 175.17 2jka s ILE 142 N -0.04 3.76 -0.19 2.22 1.01 -0.48 -0.09 121.20 127.39 2jka s ILE 142 Ca -0.06 -0.37 -0.08 0.00 0.00 0.00 0.00 60.65 60.14 2jka s ILE 142 Cb -0.15 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 2jka s ILE 142 CO 0.05 0.41 0.07 -0.60 0.00 0.00 0.00 174.94 174.87 2jka s ARG 143 N 1.31 3.99 -0.12 2.79 3.52 -0.66 -1.10 118.95 128.68 2jka s ARG 143 Ca 0.04 -0.33 0.01 0.00 -0.13 0.00 0.00 55.73 55.32 2jka s ARG 143 Cb -0.15 -3.25 -0.01 0.00 -1.56 0.00 0.00 34.95 29.98 2jka s ARG 143 CO 0.00 0.24 -0.17 -0.06 -0.81 0.00 0.00 175.30 174.51 2jka s PHE 144 N 0.46 2.72 -0.17 5.12 0.08 0.22 -1.86 117.98 124.55 2jka s PHE 144 Ca 0.04 -0.75 0.01 0.00 0.12 0.00 0.00 56.93 56.34 2jka s PHE 144 Cb -0.12 -1.79 0.01 0.00 -0.57 0.00 0.00 43.02 40.54 2jka s PHE 144 CO 0.00 -0.26 -0.17 1.03 -0.10 0.00 0.00 175.22 175.72 2jka s ARG 145 N 0.30 3.11 -0.20 0.44 0.52 0.13 -0.68 118.95 122.57 2jka s ARG 145 Ca -0.13 -0.79 0.00 0.00 -0.52 0.00 0.00 55.73 54.29 2jka s ARG 145 Cb -0.16 -2.60 0.02 0.00 0.52 0.00 0.00 34.95 32.72 2jka s ARG 145 CO 0.07 -0.10 -0.15 -1.17 0.02 0.00 0.00 175.30 173.96 2jka s LEU 146 N 1.07 2.46 0.39 2.53 2.96 0.73 -1.10 118.68 127.72 2jka s LEU 146 Ca -0.01 -0.68 0.08 0.00 -0.22 0.00 0.00 54.13 53.30 2jka s LEU 146 Cb -0.14 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 2jka s LEU 146 CO -0.06 -0.03 0.42 -0.36 -1.32 0.00 0.00 176.35 175.01 2jka s PHE 147 N 1.31 2.82 0.45 5.38 0.08 0.53 -1.57 117.98 126.99 2jka s PHE 147 Ca 0.04 -0.40 0.38 0.00 0.12 0.00 0.00 56.93 57.07 2jka s PHE 147 Cb -0.14 -2.14 1.95 0.00 -0.57 0.00 0.00 43.02 42.12 2jka s PHE 147 CO -0.10 -0.13 2.21 -0.91 -0.10 0.00 0.00 175.22 176.19 2jka h ASN 148 N 0.95 0.00 -0.17 1.36 2.35 -1.95 -2.74 115.58 115.38 2jka h ASN 148 Ca -0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 2jka h ASN 148 Cb 1.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.64 2jka h ASN 148 CO 0.54 0.02 0.00 -0.90 -1.65 0.00 0.00 177.43 175.43 2jka n ASP 149 N -3.18 2.81 0.00 5.81 5.75 -1.26 -4.89 116.55 121.59 2jka n ASP 149 Ca -0.02 -2.45 0.00 0.00 -0.01 0.00 0.00 54.79 52.31 2jka n ASP 149 Cb 0.17 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 2jka n ASP 149 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jka n GLY 150 N -0.37 -1.16 3.18 6.12 0.00 -1.04 -0.96 105.19 110.97 2jka n GLY 150 Ca 0.12 -1.50 -0.27 0.00 0.00 0.00 0.00 46.02 44.37 2jka n GLY 150 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jka s LEU 151 N 0.00 2.00 0.06 0.99 2.96 0.32 -0.34 118.68 124.66 2jka s LEU 151 Ca 0.00 -0.37 0.09 0.00 -0.22 0.00 0.00 54.13 53.64 2jka s LEU 151 Cb 0.00 -1.03 -0.03 0.00 0.50 0.00 0.00 46.19 45.63 2jka s LEU 151 CO 0.00 0.21 -0.26 -0.83 -1.32 0.00 0.00 176.35 174.15 2jka s GLY 152 N -0.26 1.39 0.02 7.98 0.00 -0.26 -0.13 107.32 116.05 2jka s GLY 152 Ca 0.03 -1.27 -0.04 0.00 0.00 0.00 0.00 44.72 43.44 2jka s GLY 152 CO 0.01 -1.18 0.05 -0.11 0.00 0.00 0.00 173.10 171.87 2jka s PHE 153 N -0.84 0.19 0.07 1.90 -0.12 -0.22 -0.69 117.98 118.26 2jka s PHE 153 Ca 0.11 -0.43 -0.05 0.00 -0.05 0.00 0.00 56.93 56.51 2jka s PHE 153 Cb -0.10 -0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.13 2jka s PHE 153 CO 0.03 -0.27 0.09 -0.98 -0.05 0.00 0.00 175.22 174.03 2jka s ARG 154 N -1.84 0.72 -0.03 1.99 1.70 -0.78 0.29 118.95 121.00 2jka s ARG 154 Ca -0.12 -1.07 -0.10 0.00 -0.47 0.00 0.00 55.73 53.98 2jka s ARG 154 Cb -0.06 0.28 -0.05 0.00 -0.57 0.00 0.00 34.95 34.55 2jka s ARG 154 CO -0.01 -0.19 0.28 0.71 -1.08 0.00 0.00 175.30 175.01 2jka s TYR 155 N -3.82 3.64 -0.03 5.89 2.02 -1.26 -1.65 117.35 122.14 2jka s TYR 155 Ca 0.05 0.72 0.06 0.00 -0.37 0.00 0.00 57.07 57.53 2jka s TYR 155 Cb 0.06 -2.09 -0.01 0.00 -0.40 0.00 0.00 41.96 39.52 2jka s TYR 155 CO -0.10 0.66 -0.20 -1.21 -1.57 0.00 0.00 175.55 173.13 2jka s GLU 156 N -1.28 1.85 -0.51 -0.62 2.02 0.87 -0.75 118.70 120.28 2jka s GLU 156 Ca 0.22 -0.72 0.03 0.00 0.02 0.00 0.00 54.97 54.52 2jka s GLU 156 Cb -0.14 -1.68 0.13 0.00 0.10 0.00 0.00 34.13 32.54 2jka s GLU 156 CO 0.11 0.37 0.25 -0.06 0.02 0.00 0.00 175.26 175.96 2jka s PHE 157 N -0.27 3.28 0.65 1.61 0.08 0.18 -0.75 117.98 122.75 2jka s PHE 157 Ca 0.02 -3.11 -0.17 0.00 0.12 0.00 0.00 56.93 53.80 2jka s PHE 157 Cb -0.10 -2.88 -0.01 0.00 -0.57 0.00 0.00 43.02 39.47 2jka s PHE 157 CO 0.01 -0.78 1.21 -2.14 -0.10 0.00 0.00 175.22 173.42 2jka s PRO 158 N -0.12 2.64 0.23 0.24 0.02 -1.26 -2.38 135.00 134.37 2jka s PRO 158 Ca 0.16 1.80 -0.30 0.00 0.02 0.00 0.00 61.00 62.69 2jka s PRO 158 Cb -0.25 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.29 2jka s PRO 158 CO -0.01 -1.46 1.34 -1.14 -0.33 0.00 0.00 177.00 175.39 2jka s GLN 159 N -3.58 4.36 0.12 5.54 0.74 -1.26 -4.77 119.66 120.80 2jka s GLN 159 Ca 0.76 2.13 -0.26 0.00 0.05 0.00 0.00 55.36 58.05 2jka s GLN 159 Cb -0.30 -3.16 0.07 0.00 1.10 0.00 0.00 33.01 30.72 2jka s GLN 159 CO 0.38 -0.28 0.89 1.14 -0.55 0.00 0.00 175.29 176.88 2jka s GLN 160 N -0.42 1.14 0.31 1.67 -2.07 -1.22 -4.98 119.66 114.09 2jka s GLN 160 Ca 0.56 -0.57 0.03 0.00 -1.82 0.00 0.00 55.36 53.56 2jka s GLN 160 Cb -0.38 0.43 0.61 0.00 -1.09 0.00 0.00 33.01 32.58 2jka s GLN 160 CO 0.41 -0.52 1.87 -0.22 -1.32 0.00 0.00 175.29 175.51 2jka h LYS 161 N 2.00 0.91 -0.66 9.60 3.11 -1.93 -2.85 116.57 126.74 2jka h LYS 161 Ca -0.24 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.55 2jka h LYS 161 Cb 1.24 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.27 2jka h LYS 161 CO 0.28 0.60 0.00 -1.13 -2.81 0.00 0.00 179.45 176.39 2jka n SER 162 N -4.57 3.85 -3.28 4.20 3.41 -1.26 -4.78 113.62 111.19 2jka n SER 162 Ca 0.17 -2.04 -0.07 0.00 -0.26 0.00 0.00 58.87 56.67 2jka n SER 162 Cb 0.34 -0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 63.78 2jka n SER 162 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2jka s LEU 163 N -1.07 -0.89 0.00 1.04 2.96 -1.08 -4.90 118.68 114.74 2jka s LEU 163 Ca 0.45 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 2jka s LEU 163 Cb 0.24 1.25 0.00 0.00 0.50 0.00 0.00 46.19 48.18 2jka s LEU 163 CO 0.30 -0.34 0.00 0.59 -1.32 0.00 0.00 176.35 175.58 2jka n ASN 164 N 5.37 0.00 -4.74 3.68 4.13 -1.26 -3.37 115.26 119.07 2jka n ASN 164 Ca 0.01 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.88 2jka n ASN 164 Cb 0.50 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.68 2jka n ASN 164 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2jka s TYR 165 N 0.00 3.59 0.07 3.10 2.02 -1.26 -0.60 117.35 124.26 2jka s TYR 165 Ca 0.00 1.08 -0.20 0.00 -0.37 0.00 0.00 57.07 57.58 2jka s TYR 165 Cb 0.00 -2.62 0.05 0.00 -0.40 0.00 0.00 41.96 38.98 2jka s TYR 165 CO 0.00 0.23 0.47 -0.59 -1.57 0.00 0.00 175.55 174.09 2jka s PHE 166 N 0.33 -0.35 -0.12 2.71 -0.12 -0.68 -5.01 117.98 114.75 2jka s PHE 166 Ca 0.30 0.29 0.02 0.00 -0.05 0.00 0.00 56.93 57.50 2jka s PHE 166 Cb -0.17 0.31 -0.00 0.00 -0.63 0.00 0.00 43.02 42.52 2jka s PHE 166 CO 0.15 -0.65 -0.20 0.08 -0.05 0.00 0.00 175.22 174.55 2jka s VAL 167 N -2.78 2.39 -0.14 -2.49 1.01 -1.26 -0.75 120.40 116.37 2jka s VAL 167 Ca -0.03 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 2jka s VAL 167 Cb -0.00 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 2jka s VAL 167 CO -0.04 0.55 1.10 -0.63 0.00 0.00 0.00 175.10 176.07 2jka s ILE 168 N 0.42 4.56 -0.12 2.22 1.01 -0.02 -0.75 121.20 128.52 2jka s ILE 168 Ca -0.15 1.86 -0.18 0.00 0.00 0.00 0.00 60.65 62.18 2jka s ILE 168 Cb -0.17 -4.20 -0.16 0.00 0.01 0.00 0.00 42.46 37.95 2jka s ILE 168 CO 0.06 -0.08 0.52 0.50 0.00 0.00 0.00 174.94 175.95 2jka h LYS 169 N 7.47 -0.02 -3.04 2.79 3.64 -1.11 0.88 116.57 127.17 2jka h LYS 169 Ca -0.27 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.98 2jka h LYS 169 Cb 1.12 0.01 -0.22 0.00 -0.41 0.00 0.00 32.23 32.73 2jka h LYS 169 CO 0.92 0.56 -0.31 -1.21 -2.27 0.00 0.00 179.45 177.14 2jka s GLU 170 N -2.14 0.57 0.01 1.90 0.41 -0.90 -4.36 118.70 114.19 2jka s GLU 170 Ca -0.12 -0.01 -0.09 0.00 -0.41 0.00 0.00 54.97 54.34 2jka s GLU 170 Cb -0.02 0.26 -0.05 0.00 -1.78 0.00 0.00 34.13 32.54 2jka s GLU 170 CO 0.43 -0.14 0.32 -2.00 -0.49 0.00 0.00 175.26 173.38 2jka s GLU 171 N -0.87 3.68 -0.49 1.61 2.12 -1.26 -0.78 118.70 122.71 2jka s GLU 171 Ca -0.09 0.09 0.07 0.00 0.36 0.00 0.00 54.97 55.40 2jka s GLU 171 Cb -0.04 -3.10 0.37 0.00 0.26 0.00 0.00 34.13 31.62 2jka s GLU 171 CO 0.03 0.65 0.96 0.72 -0.54 0.00 0.00 175.26 177.08 2jka n HIS 172 N 1.30 3.05 -2.77 5.30 8.25 0.56 -4.56 115.22 126.35 2jka n HIS 172 Ca -0.12 -3.63 -0.42 0.00 -0.26 0.00 0.00 57.72 53.29 2jka n HIS 172 Cb 0.53 -0.36 -0.03 0.00 1.12 0.00 0.00 29.99 31.25 2jka n HIS 172 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2jka s SER 173 N -3.31 7.00 0.08 0.41 0.01 -1.26 -2.91 113.70 113.73 2jka s SER 173 Ca 0.46 1.25 -0.03 0.00 1.31 0.00 0.00 55.95 58.94 2jka s SER 173 Cb 0.34 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 64.03 2jka s SER 173 CO -0.13 -0.57 0.28 -1.10 0.41 0.00 0.00 173.24 172.13 2jka s GLN 174 N 2.85 3.53 -0.39 12.44 -0.21 -0.43 -0.15 119.66 137.31 2jka s GLN 174 Ca 0.41 -0.25 0.01 0.00 0.02 0.00 0.00 55.36 55.55 2jka s GLN 174 Cb -0.16 -2.98 0.13 0.00 1.00 0.00 0.00 33.01 31.01 2jka s GLN 174 CO 0.08 0.57 0.21 -0.06 -2.12 0.00 0.00 175.29 173.97 2jka s PHE 175 N -1.52 1.38 -0.25 0.91 0.08 0.92 -4.67 117.98 114.84 2jka s PHE 175 Ca 0.36 -2.00 -0.29 0.00 0.12 0.00 0.00 56.93 55.12 2jka s PHE 175 Cb -0.13 -1.43 0.01 0.00 -0.57 0.00 0.00 43.02 40.90 2jka s PHE 175 CO 0.24 -0.81 1.13 0.20 -0.10 0.00 0.00 175.22 175.88 2jka s GLY 176 N 0.79 1.62 0.55 4.36 0.00 -1.26 -1.52 107.32 111.85 2jka s GLY 176 Ca 0.17 0.17 -0.14 0.00 0.00 0.00 0.00 44.72 44.92 2jka s GLY 176 CO -0.02 2.32 0.99 1.06 0.00 0.00 0.00 173.10 177.46 2jka s MET 177 N 3.48 3.80 0.00 2.90 1.00 0.80 -1.25 119.30 130.04 2jka s MET 177 Ca 0.48 0.85 0.22 0.00 0.00 0.00 0.00 55.69 57.24 2jka s MET 177 Cb -0.16 -2.13 0.56 0.00 0.00 0.00 0.00 34.83 33.10 2jka s MET 177 CO 0.12 -0.38 1.46 -1.71 0.00 0.00 0.00 175.02 174.51 2jka n ASN 178 N -2.03 2.63 -3.69 3.03 5.15 -1.26 -4.73 115.26 114.36 2jka n ASN 178 Ca 0.06 -1.87 0.01 0.00 -0.60 0.00 0.00 54.58 52.18 2jka n ASN 178 Cb 0.54 -0.18 0.01 0.00 -0.53 0.00 0.00 39.78 39.62 2jka n ASN 178 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2jka s GLY 179 N -1.51 -0.15 -1.33 8.20 0.00 -1.26 -5.04 107.32 106.22 2jka s GLY 179 Ca 0.35 0.12 -0.13 0.00 0.00 0.00 0.00 44.72 45.07 2jka s GLY 179 CO 0.29 3.60 1.89 1.34 0.00 0.00 0.00 173.10 180.22 2jka n ASP 180 N -0.94 4.71 -4.65 1.64 2.03 -1.26 -4.98 116.55 113.09 2jka n ASP 180 Ca -0.01 -2.97 -0.29 0.00 0.52 0.00 0.00 54.79 52.04 2jka n ASP 180 Cb 0.60 -1.59 0.17 0.00 -0.72 0.00 0.00 41.12 39.58 2jka n ASP 180 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2jka s HIS 181 N 2.09 1.98 0.11 -0.67 3.76 -1.26 -4.54 115.29 116.75 2jka s HIS 181 Ca 0.45 1.27 -0.25 0.00 -0.15 0.00 0.00 55.06 56.38 2jka s HIS 181 Cb 0.08 -3.18 -0.07 0.00 1.11 0.00 0.00 32.58 30.52 2jka s HIS 181 CO -0.01 -2.86 0.78 0.42 -0.85 0.00 0.00 174.74 172.22 2jka s ILE 182 N -2.79 4.53 0.13 0.60 1.01 -0.48 -1.25 121.20 122.95 2jka s ILE 182 Ca 0.65 1.69 0.07 0.00 0.00 0.00 0.00 60.65 63.07 2jka s ILE 182 Cb -0.20 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 2jka s ILE 182 CO 0.59 0.45 -0.17 0.00 0.00 0.00 0.00 174.94 175.80 2jka s ALA 183 N -0.63 1.76 -0.30 9.38 0.00 0.21 -0.73 121.76 131.46 2jka s ALA 183 Ca 0.37 -1.35 0.03 0.00 0.00 0.00 0.00 51.96 51.01 2jka s ALA 183 Cb -0.22 -0.16 0.07 0.00 0.00 0.00 0.00 23.12 22.82 2jka s ALA 183 CO 0.25 0.21 -0.03 -0.06 0.00 0.00 0.00 175.76 176.13 2jka s PHE 184 N -1.86 3.45 0.04 0.00 0.08 -0.38 -1.32 117.98 117.98 2jka s PHE 184 Ca 0.11 -2.52 -0.03 0.00 0.12 0.00 0.00 56.93 54.61 2jka s PHE 184 Cb -0.07 -2.34 -0.02 0.00 -0.57 0.00 0.00 43.02 40.02 2jka s PHE 184 CO 0.05 -0.90 0.03 1.67 -0.10 0.00 0.00 175.22 175.96 2jka s TRP 185 N 1.05 0.30 0.16 0.36 1.48 -0.59 -3.60 118.94 118.10 2jka s TRP 185 Ca -0.01 -0.67 0.11 0.00 -1.06 0.00 0.00 56.10 54.47 2jka s TRP 185 Cb -0.20 -0.22 -0.04 0.00 -1.16 0.00 0.00 33.47 31.85 2jka s TRP 185 CO -0.06 -0.32 -0.26 0.96 -4.06 0.00 0.00 176.95 173.22 2jka s ILE 186 N -2.63 2.29 0.12 0.66 -4.36 -1.26 -1.11 121.20 114.91 2jka s ILE 186 Ca -0.05 -1.88 -0.35 0.00 -0.26 0.00 0.00 60.65 58.11 2jka s ILE 186 Cb -0.01 -2.05 -0.16 0.00 1.25 0.00 0.00 42.46 41.49 2jka s ILE 186 CO -0.05 -0.00 1.40 -2.65 0.24 0.00 0.00 174.94 173.88 2jka n PRO 187 N 0.63 1.49 -1.67 0.37 -0.02 -1.26 -1.97 135.00 132.57 2jka n PRO 187 Ca -0.16 0.54 -0.46 0.00 -2.02 0.00 0.00 63.50 61.40 2jka n PRO 187 Cb 0.54 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 2jka n PRO 187 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jka n GLY 188 N 2.73 1.10 3.55 -1.23 0.00 0.56 -4.26 105.19 107.64 2jka n GLY 188 Ca 0.17 0.65 -0.14 0.00 0.00 0.00 0.00 46.02 46.70 2jka n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jka s ASP 189 N 0.88 -0.67 0.00 1.61 -1.08 -1.26 -3.41 116.67 112.74 2jka s ASP 189 Ca 0.79 1.24 0.26 0.00 -0.52 0.00 0.00 52.55 54.32 2jka s ASP 189 Cb -0.69 1.24 0.74 0.00 -1.46 0.00 0.00 42.92 42.75 2jka s ASP 189 CO 0.38 -0.27 1.58 -1.22 0.52 0.00 0.00 175.17 176.16 2jka n TYR 190 N 2.51 0.01 0.00 -5.34 4.01 -0.58 -4.53 117.16 113.24 2jka n TYR 190 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 2jka n TYR 190 Cb 0.56 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 2jka n TYR 190 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2jka n ASP 191 N -1.51 3.05 -3.99 7.72 8.00 -1.26 -2.24 116.55 126.32 2jka n ASP 191 Ca 0.06 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.47 2jka n ASP 191 Cb 0.34 0.40 -0.10 0.00 -0.02 0.00 0.00 41.12 41.74 2jka n ASP 191 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2jka s THR 192 N -1.48 0.14 -0.09 -3.53 -1.32 -1.25 -4.72 115.64 103.38 2jka s THR 192 Ca 0.00 -1.18 0.13 0.00 -1.21 0.00 0.00 61.69 59.43 2jka s THR 192 Cb 0.00 -0.78 0.21 0.00 -1.51 0.00 0.00 72.50 70.41 2jka s THR 192 CO 0.00 -0.65 1.10 0.00 -2.21 0.00 0.00 174.62 172.86 2jka n GLN 193 N 0.96 1.70 -1.17 7.08 3.00 -1.26 -4.63 117.38 123.05 2jka n GLN 193 Ca -0.20 -2.25 -0.20 0.00 -0.01 0.00 0.00 57.00 54.34 2jka n GLN 193 Cb 0.58 -1.34 -0.04 0.00 0.00 0.00 0.00 30.24 29.43 2jka n GLN 193 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2jka n GLU 194 N -1.15 2.07 -4.05 -1.09 1.02 -1.26 -3.29 120.64 112.88 2jka n GLU 194 Ca 0.11 -1.76 -0.31 0.00 -0.02 0.00 0.00 57.16 55.18 2jka n GLU 194 Cb 0.54 -1.89 -0.06 0.00 -0.02 0.00 0.00 31.44 30.00 2jka n GLU 194 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2jka s TYR 195 N -1.23 3.24 0.52 -0.32 2.02 -1.26 -4.66 117.35 115.66 2jka s TYR 195 Ca 0.48 0.12 -0.21 0.00 -0.37 0.00 0.00 57.07 57.08 2jka s TYR 195 Cb 0.31 -1.66 -0.05 0.00 -0.40 0.00 0.00 41.96 40.16 2jka s TYR 195 CO -0.11 0.53 1.25 -0.51 -1.57 0.00 0.00 175.55 175.15 2jka s ASP 196 N -2.25 5.58 0.58 2.29 1.01 -1.26 -4.51 116.67 118.11 2jka s ASP 196 Ca 0.28 2.51 -0.16 0.00 0.71 0.00 0.00 52.55 55.90 2jka s ASP 196 Cb -0.12 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.15 2jka s ASP 196 CO 0.21 -1.34 1.05 -0.31 0.21 0.00 0.00 175.17 174.98 2jka s TYR 197 N -1.45 3.05 -0.00 4.23 1.51 -1.26 -4.74 117.35 118.69 2jka s TYR 197 Ca 0.70 1.50 0.08 0.00 -1.01 0.00 0.00 57.07 58.35 2jka s TYR 197 Cb -0.34 -2.98 -0.02 0.00 -0.11 0.00 0.00 41.96 38.51 2jka s TYR 197 CO 0.40 -1.01 -0.26 0.99 -1.11 0.00 0.00 175.55 174.56 2jka s THR 198 N -2.47 2.04 -0.25 -0.71 2.01 -0.26 -4.95 115.64 111.05 2jka s THR 198 Ca 0.63 -1.16 -0.04 0.00 0.31 0.00 0.00 61.69 61.42 2jka s THR 198 Cb -0.15 -1.70 0.00 0.00 0.01 0.00 0.00 72.50 70.66 2jka s THR 198 CO 0.36 0.52 -0.00 -0.63 -0.69 0.00 0.00 174.62 174.18 2jka s ILE 199 N -0.65 3.49 0.22 1.82 1.01 -1.26 -1.54 121.20 124.29 2jka s ILE 199 Ca 0.10 -0.65 -0.21 0.00 0.00 0.00 0.00 60.65 59.89 2jka s ILE 199 Cb -0.10 -2.70 0.04 0.00 0.01 0.00 0.00 42.46 39.71 2jka s ILE 199 CO -0.00 0.27 0.64 -0.94 0.00 0.00 0.00 174.94 174.90 2jka s SER 200 N 1.46 -0.37 0.61 3.58 1.04 -0.44 -4.96 113.70 114.62 2jka s SER 200 Ca 0.04 -0.37 -0.18 0.00 0.48 0.00 0.00 55.95 55.92 2jka s SER 200 Cb -0.16 0.65 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 2jka s SER 200 CO -0.01 -1.16 1.18 -0.13 0.98 0.00 0.00 173.24 174.10 2jka s ARG 201 N -3.85 2.89 0.30 4.02 1.81 -1.26 0.66 118.95 123.52 2jka s ARG 201 Ca 0.07 1.73 0.05 0.00 -1.72 0.00 0.00 55.73 55.86 2jka s ARG 201 Cb -0.03 -1.93 0.68 0.00 -0.45 0.00 0.00 34.95 33.22 2jka s ARG 201 CO -0.02 -1.25 1.82 -0.07 -0.68 0.00 0.00 175.30 175.10 2jka h LEU 202 N 0.66 0.82 -1.14 2.53 3.38 -1.41 0.04 115.31 120.18 2jka h LEU 202 Ca -0.50 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2jka h LEU 202 Cb 1.29 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2jka h LEU 202 CO 0.54 0.37 0.00 0.77 0.09 0.00 0.00 178.44 180.22 2jka h SER 203 N 0.85 0.00 0.17 -0.43 4.64 -1.90 -2.79 113.55 114.10 2jka h SER 203 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 2jka h SER 203 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2jka h SER 203 CO -0.30 0.00 -0.61 -0.62 -0.87 0.00 0.00 176.83 174.43 2jka n GLU 204 N -2.40 0.43 0.13 4.77 1.02 -0.01 -4.47 120.64 120.11 2jka n GLU 204 Ca 0.01 -0.32 -0.14 0.00 -0.02 0.00 0.00 57.16 56.70 2jka n GLU 204 Cb 0.17 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.03 2jka n GLU 204 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2jka h ILE 205 N 0.77 0.81 -0.60 -3.67 2.04 -1.42 -2.08 117.51 113.36 2jka h ILE 205 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 2jka h ILE 205 Cb 0.56 0.81 -0.10 0.00 -0.74 0.00 0.00 36.82 37.35 2jka h ILE 205 CO 0.00 0.00 0.02 -0.09 0.00 0.00 0.00 178.15 178.08 2jka h ARG 206 N -0.25 0.13 0.00 2.37 2.43 -1.78 -0.16 114.38 117.12 2jka h ARG 206 Ca -0.02 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2jka h ARG 206 Cb 0.19 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2jka h ARG 206 CO 0.03 0.08 -0.10 0.78 -1.51 0.00 0.00 179.97 179.26 2jka h GLY 207 N 0.13 0.00 0.25 2.80 0.00 -1.78 -3.14 103.07 101.34 2jka h GLY 207 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2jka h GLY 207 CO -0.50 0.00 -0.75 1.04 0.00 0.00 0.00 176.54 176.33 2jka n LEU 208 N -3.23 0.93 -0.15 3.11 4.77 -0.33 -4.58 117.00 117.52 2jka n LEU 208 Ca 0.01 -0.35 -0.05 0.00 -0.03 0.00 0.00 56.01 55.59 2jka n LEU 208 Cb 0.37 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.41 2jka n LEU 208 CO 0.30 0.22 0.99 -0.03 -1.33 0.00 0.00 177.39 177.54 2jka h MET 209 N 0.28 0.41 0.01 3.23 4.05 -1.04 -1.65 114.93 120.22 2jka h MET 209 Ca 0.00 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.42 2jka h MET 209 Cb 0.52 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.20 2jka h MET 209 CO 0.00 0.27 -0.17 -0.22 0.23 0.00 0.00 176.91 177.02 2jka h LYS 210 N 0.42 -0.27 -0.24 0.39 1.63 -1.81 -1.49 116.57 115.21 2jka h LYS 210 Ca 0.21 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.98 2jka h LYS 210 Cb 0.16 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 2jka h LYS 210 CO -0.17 -0.18 -0.05 1.49 -3.45 0.00 0.00 179.45 177.09 2jka h GLU 211 N -0.28 0.37 0.00 1.90 4.81 -1.85 -2.99 114.58 116.54 2jka h GLU 211 Ca 0.05 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 2jka h GLU 211 Cb 0.34 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2jka h GLU 211 CO -0.15 0.44 -0.37 0.00 -0.73 0.00 0.00 179.01 178.20 2jka h ALA 212 N 1.60 1.33 -1.61 2.92 0.00 -0.32 -3.39 119.26 119.79 2jka h ALA 212 Ca 0.08 -0.33 -0.63 0.00 0.00 0.00 0.00 54.91 54.02 2jka h ALA 212 Cb 0.32 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 17.91 2jka h ALA 212 CO 0.01 0.46 0.83 0.42 0.00 0.00 0.00 179.25 180.97 2jka s ILE 213 N -4.13 4.29 0.37 0.00 1.01 -0.70 -4.80 121.20 117.25 2jka s ILE 213 Ca -0.03 -0.65 -0.00 0.00 0.00 0.00 0.00 60.65 59.97 2jka s ILE 213 Cb 0.14 -4.80 -0.03 0.00 0.01 0.00 0.00 42.46 37.78 2jka s ILE 213 CO 0.72 -1.60 0.59 0.42 0.00 0.00 0.00 174.94 175.07 2jka s THR 214 N 4.04 4.96 0.22 2.92 -4.23 -1.26 -4.99 115.64 117.29 2jka s THR 214 Ca 0.30 -0.40 -0.32 0.00 -1.18 0.00 0.00 61.69 60.09 2jka s THR 214 Cb -0.10 -3.82 -0.13 0.00 1.34 0.00 0.00 72.50 69.79 2jka s THR 214 CO 0.02 -0.57 1.52 -2.65 -0.54 0.00 0.00 174.62 172.41 2jka n PRO 215 N -1.87 2.24 -4.10 3.99 -0.02 -1.26 -5.03 135.00 128.95 2jka n PRO 215 Ca -0.03 0.80 -0.08 0.00 -2.02 0.00 0.00 63.50 62.16 2jka n PRO 215 Cb 0.56 -2.53 -0.10 0.00 -0.02 0.00 0.00 33.50 31.41 2jka n PRO 215 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2jka s ASN 216 N 0.61 0.61 0.45 2.55 3.84 -1.26 -5.04 114.94 116.70 2jka s ASN 216 Ca 0.72 -0.94 0.30 0.00 0.21 0.00 0.00 52.86 53.15 2jka s ASN 216 Cb -0.63 0.16 1.23 0.00 -0.55 0.00 0.00 41.25 41.47 2jka s ASN 216 CO 0.44 -0.53 1.89 0.77 -2.79 0.00 0.00 177.10 176.87 2jka h SER 217 N 3.29 0.00 -2.26 -4.21 4.64 -1.99 -3.39 113.55 109.64 2jka h SER 217 Ca -0.34 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.88 2jka h SER 217 Cb 1.15 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.97 2jka h SER 217 CO 0.63 0.00 -0.39 -0.55 -0.87 0.00 0.00 176.83 175.64 2jka s SER 218 N -5.18 -0.17 -0.23 4.97 0.15 -1.26 -4.39 113.70 107.59 2jka s SER 218 Ca 0.02 0.77 -0.20 0.00 0.70 0.00 0.00 55.95 57.24 2jka s SER 218 Cb 0.09 1.33 0.06 0.00 -1.71 0.00 0.00 66.02 65.79 2jka s SER 218 CO 0.49 -0.25 0.61 0.00 1.20 0.00 0.00 173.24 175.29 2jka s GLN 219 N 2.61 0.70 -0.36 5.44 -2.07 -1.26 -3.83 119.66 120.88 2jka s GLN 219 Ca 0.04 0.90 0.01 0.00 -1.82 0.00 0.00 55.36 54.49 2jka s GLN 219 Cb -0.13 0.30 0.15 0.00 -1.09 0.00 0.00 33.01 32.23 2jka s GLN 219 CO -0.14 -0.10 0.24 0.99 -1.32 0.00 0.00 175.29 174.96 2jka s THR 220 N 0.57 0.14 0.62 3.63 2.01 -1.26 -4.93 115.64 116.42 2jka s THR 220 Ca -0.02 -1.82 -0.19 0.00 0.31 0.00 0.00 61.69 59.97 2jka s THR 220 Cb -0.05 -1.11 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 2jka s THR 220 CO -0.03 -1.01 1.25 -2.84 -0.69 0.00 0.00 174.62 171.31 2jka s PRO 221 N 0.92 2.79 -0.00 4.92 0.02 -1.26 -1.52 135.00 140.87 2jka s PRO 221 Ca 0.21 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.18 2jka s PRO 221 Cb -0.18 -1.90 -0.00 0.00 0.02 0.00 0.00 34.50 32.44 2jka s PRO 221 CO -0.03 -1.38 0.00 1.97 -0.33 0.00 0.00 177.00 177.23 2jka n PHE 222 N -1.71 0.00 -3.62 6.54 1.16 -1.22 -4.93 117.46 113.68 2jka n PHE 222 Ca 0.15 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.57 2jka n PHE 222 Cb 0.49 -0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.28 2jka n PHE 222 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2jka s SER 223 N -1.41 -0.58 0.28 5.98 0.15 -1.26 -4.97 113.70 111.88 2jka s SER 223 Ca 0.00 0.83 0.22 0.00 0.70 0.00 0.00 55.95 57.71 2jka s SER 223 Cb 0.00 0.80 1.04 0.00 -1.71 0.00 0.00 66.02 66.15 2jka s SER 223 CO 0.00 -0.42 1.68 1.67 1.20 0.00 0.00 173.24 177.37 2jka n GLN 224 N 1.72 0.17 -0.88 5.44 7.27 -1.26 -2.64 117.38 127.20 2jka n GLN 224 Ca -0.17 0.51 0.05 0.00 0.07 0.00 0.00 57.00 57.46 2jka n GLN 224 Cb 0.56 -1.90 0.11 0.00 2.41 0.00 0.00 30.24 31.42 2jka n GLN 224 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2jka n THR 225 N -2.23 1.11 -3.41 1.69 -2.24 -1.26 -3.90 114.28 104.04 2jka n THR 225 Ca 0.01 -1.96 -0.37 0.00 -2.27 0.00 0.00 64.05 59.45 2jka n THR 225 Cb 0.15 0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.62 2jka n THR 225 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jka s GLY 226 N -2.50 2.34 0.23 3.38 0.00 -1.08 -0.50 107.32 109.18 2jka s GLY 226 Ca 0.32 -0.28 0.07 0.00 0.00 0.00 0.00 44.72 44.83 2jka s GLY 226 CO -0.09 0.60 -0.10 -1.34 0.00 0.00 0.00 173.10 172.16 2jka s VAL 227 N 0.41 1.63 0.58 1.40 -7.23 -0.07 -0.32 120.40 116.80 2jka s VAL 227 Ca 0.23 -2.17 -0.02 0.00 -1.81 0.00 0.00 61.98 58.21 2jka s VAL 227 Cb -0.15 -2.19 0.03 0.00 0.56 0.00 0.00 36.38 34.64 2jka s VAL 227 CO 0.08 -0.49 0.84 -1.10 -0.31 0.00 0.00 175.10 174.12 2jka s GLN 228 N -3.69 2.59 0.19 4.82 -0.21 -0.83 -1.09 119.66 121.43 2jka s GLN 228 Ca 0.25 -0.49 0.09 0.00 0.02 0.00 0.00 55.36 55.23 2jka s GLN 228 Cb 0.01 -2.39 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 2jka s GLN 228 CO 0.08 -0.78 -0.08 0.95 -2.12 0.00 0.00 175.29 173.35 2jka s THR 229 N -2.89 3.26 0.14 -0.19 -4.23 -1.26 -3.88 115.64 106.60 2jka s THR 229 Ca 0.56 -1.66 -0.30 0.00 -1.18 0.00 0.00 61.69 59.11 2jka s THR 229 Cb -0.10 -2.63 -0.07 0.00 1.34 0.00 0.00 72.50 71.03 2jka s THR 229 CO 0.41 -0.13 1.22 0.00 -0.54 0.00 0.00 174.62 175.57 2jka s ALA 230 N -1.76 3.44 -0.16 3.99 0.00 -1.26 -4.95 121.76 121.05 2jka s ALA 230 Ca 0.26 0.93 -0.10 0.00 0.00 0.00 0.00 51.96 53.05 2jka s ALA 230 Cb -0.09 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 2jka s ALA 230 CO 0.16 -0.41 0.18 -1.17 0.00 0.00 0.00 175.76 174.51 2jka s LEU 231 N 0.32 4.28 -0.05 0.00 2.96 -0.24 -4.64 118.68 121.31 2jka s LEU 231 Ca 0.56 0.39 0.04 0.00 -0.22 0.00 0.00 54.13 54.89 2jka s LEU 231 Cb -0.32 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.18 2jka s LEU 231 CO 0.33 0.23 -0.15 -0.32 -1.32 0.00 0.00 176.35 175.13 2jka s MET 232 N -0.07 2.49 0.03 1.98 -2.45 -1.24 -1.09 119.30 118.95 2jka s MET 232 Ca 0.12 -0.70 0.01 0.00 -1.25 0.00 0.00 55.69 53.87 2jka s MET 232 Cb -0.12 -2.37 -0.02 0.00 1.25 0.00 0.00 34.83 33.57 2jka s MET 232 CO 0.02 0.62 -0.05 -1.64 1.05 0.00 0.00 175.02 175.01 2jka s MET 233 N -0.74 0.43 -0.11 4.11 -1.94 0.47 -1.25 119.30 120.27 2jka s MET 233 Ca 0.12 -0.71 0.02 0.00 -1.71 0.00 0.00 55.69 53.40 2jka s MET 233 Cb -0.11 -0.09 0.01 0.00 2.01 0.00 0.00 34.83 36.66 2jka s MET 233 CO 0.01 -0.00 -0.18 0.21 -0.01 0.00 0.00 175.02 175.05 2jka s LYS 234 N -1.63 2.49 0.26 2.03 2.20 0.09 -1.35 119.74 123.84 2jka s LYS 234 Ca -0.12 -0.66 0.02 0.00 -0.36 0.00 0.00 55.97 54.84 2jka s LYS 234 Cb -0.09 -2.05 -0.04 0.00 -1.51 0.00 0.00 37.83 34.14 2jka s LYS 234 CO -0.01 -0.02 0.44 0.95 -0.36 0.00 0.00 175.35 176.35 2jka s THR 235 N 0.86 5.19 0.29 3.43 -4.23 -0.12 -1.38 115.64 119.67 2jka s THR 235 Ca -0.08 -0.59 0.25 0.00 -1.18 0.00 0.00 61.69 60.08 2jka s THR 235 Cb -0.15 -3.82 0.25 0.00 1.34 0.00 0.00 72.50 70.12 2jka s THR 235 CO -0.00 -0.36 1.95 0.44 -0.54 0.00 0.00 174.62 176.11 2jka h ASP 236 N 1.30 0.00 -0.76 3.99 5.19 -1.92 -2.60 116.42 121.62 2jka h ASP 236 Ca -0.50 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 55.61 2jka h ASP 236 Cb 1.21 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.54 2jka h ASP 236 CO 0.63 0.19 0.39 -0.90 -3.12 0.00 0.00 179.24 176.43 2jka n ASP 237 N -3.55 4.21 0.00 6.45 5.75 -1.26 -4.92 116.55 123.22 2jka n ASP 237 Ca -0.01 -3.23 0.00 0.00 -0.01 0.00 0.00 54.79 51.54 2jka n ASP 237 Cb 0.33 -0.76 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 2jka n ASP 237 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jka n GLY 238 N -0.45 0.61 3.75 6.12 0.00 -0.98 -5.07 105.19 109.18 2jka n GLY 238 Ca 0.44 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 2jka n GLY 238 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jka s LEU 239 N 0.00 3.60 -0.12 0.99 1.43 -1.26 -4.48 118.68 118.85 2jka s LEU 239 Ca 0.00 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 2jka s LEU 239 Cb 0.00 -2.17 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 2jka s LEU 239 CO 0.00 0.02 -0.19 -0.31 0.23 0.00 0.00 176.35 176.10 2jka s TYR 240 N -2.01 2.68 -0.04 0.29 2.02 0.68 -0.95 117.35 120.02 2jka s TYR 240 Ca 0.31 -0.89 0.02 0.00 -0.37 0.00 0.00 57.07 56.15 2jka s TYR 240 Cb -0.08 -1.77 0.01 0.00 -0.40 0.00 0.00 41.96 39.71 2jka s TYR 240 CO 0.22 -0.34 -0.10 0.42 -1.57 0.00 0.00 175.55 174.19 2jka s ILE 241 N 0.37 0.89 -0.08 2.71 1.01 -0.45 -2.10 121.20 123.54 2jka s ILE 241 Ca -0.15 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.16 2jka s ILE 241 Cb -0.17 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.49 2jka s ILE 241 CO 0.07 0.29 -0.20 0.21 0.00 0.00 0.00 174.94 175.31 2jka s ASN 242 N 0.43 2.61 -0.13 3.58 3.84 0.28 -0.39 114.94 125.16 2jka s ASN 242 Ca -0.08 -0.46 0.00 0.00 0.21 0.00 0.00 52.86 52.54 2jka s ASN 242 Cb -0.12 -1.12 -0.01 0.00 -0.55 0.00 0.00 41.25 39.45 2jka s ASN 242 CO 0.01 0.13 -0.15 -0.76 -2.79 0.00 0.00 177.10 173.54 2jka s LEU 243 N 0.38 2.60 0.00 3.21 1.43 -0.25 -1.02 118.68 125.02 2jka s LEU 243 Ca -0.15 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 52.52 2jka s LEU 243 Cb -0.16 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.50 2jka s LEU 243 CO 0.06 0.15 0.29 1.57 0.23 0.00 0.00 176.35 178.65 2jka n HIS 244 N 3.60 -1.45 -4.26 0.29 -0.00 -0.68 -1.08 115.22 111.64 2jka n HIS 244 Ca -0.18 -0.71 -0.14 0.00 0.46 0.00 0.00 57.72 57.14 2jka n HIS 244 Cb 0.53 0.33 -0.10 0.00 -0.12 0.00 0.00 29.99 30.63 2jka n HIS 244 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 2jka s GLU 245 N -2.06 1.14 -0.01 1.57 -1.05 -1.26 -0.70 118.70 116.32 2jka s GLU 245 Ca 0.06 -1.54 0.02 0.00 -0.15 0.00 0.00 54.97 53.37 2jka s GLU 245 Cb -0.02 -0.42 -0.00 0.00 -0.44 0.00 0.00 34.13 33.25 2jka s GLU 245 CO 0.05 -0.08 -0.08 0.00 0.95 0.00 0.00 175.26 176.10 2jka s ALA 246 N -3.53 0.71 -0.60 -0.84 0.00 -0.43 -4.73 121.76 112.33 2jka s ALA 246 Ca 0.23 -0.31 -0.03 0.00 0.00 0.00 0.00 51.96 51.85 2jka s ALA 246 Cb 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 2jka s ALA 246 CO 0.04 0.14 0.52 0.00 0.00 0.00 0.00 175.76 176.46 2jka n ALA 247 N 3.08 -1.54 -2.68 0.00 0.00 0.01 -1.42 120.51 117.95 2jka n ALA 247 Ca -0.15 0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 2jka n ALA 247 Cb 0.56 -3.19 -0.03 0.00 0.00 0.00 0.00 19.45 16.79 2jka n ALA 247 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2jka s LEU 248 N -4.35 4.03 -0.04 0.00 2.96 -1.26 -4.37 118.68 115.65 2jka s LEU 248 Ca 0.22 -1.67 0.01 0.00 -0.22 0.00 0.00 54.13 52.48 2jka s LEU 248 Cb -0.03 -2.51 0.02 0.00 0.50 0.00 0.00 46.19 44.17 2jka s LEU 248 CO 0.41 -1.35 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.35 2jka s VAL 249 N 4.19 0.56 -1.43 1.68 1.01 -1.26 -4.82 120.40 120.33 2jka s VAL 249 Ca 0.42 -0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.17 2jka s VAL 249 Cb -0.02 -0.57 0.04 0.00 0.00 0.00 0.00 36.38 35.84 2jka s VAL 249 CO -0.10 0.22 0.80 0.47 0.00 0.00 0.00 175.10 176.50 2jka n ASP 250 N 3.88 -2.74 -3.52 3.32 8.00 -1.26 -4.79 116.55 119.44 2jka n ASP 250 Ca -0.24 -0.82 -0.08 0.00 0.71 0.00 0.00 54.79 54.35 2jka n ASP 250 Cb 0.52 -3.85 -0.02 0.00 -0.02 0.00 0.00 41.12 37.75 2jka n ASP 250 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2jka s TYR 251 N -3.53 -0.34 0.29 1.24 5.04 -1.26 -4.96 117.35 113.83 2jka s TYR 251 Ca 0.31 0.18 -0.15 0.00 -2.44 0.00 0.00 57.07 54.97 2jka s TYR 251 Cb -0.16 0.55 -0.09 0.00 0.35 0.00 0.00 41.96 42.62 2jka s TYR 251 CO 0.83 -0.61 0.71 0.45 -1.34 0.00 0.00 175.55 175.59 2jka s SER 252 N -2.56 6.81 0.26 4.32 0.15 -1.26 -4.25 113.70 117.18 2jka s SER 252 Ca 0.05 1.26 -0.30 0.00 0.70 0.00 0.00 55.95 57.66 2jka s SER 252 Cb -0.01 -2.36 -0.11 0.00 -1.71 0.00 0.00 66.02 61.83 2jka s SER 252 CO -0.08 -0.14 1.55 0.00 1.20 0.00 0.00 173.24 175.78 2jka s MET 254 N -0.20 4.24 0.56 0.00 1.75 -1.26 -2.15 119.30 122.25 2jka s MET 254 Ca 0.63 0.42 0.06 0.00 -1.25 0.00 0.00 55.69 55.55 2jka s MET 254 Cb -0.46 -3.52 0.06 0.00 2.84 0.00 0.00 34.83 33.76 2jka s MET 254 CO 0.44 -0.03 0.51 0.72 -0.65 0.00 0.00 175.02 176.01 2jka n HIS 255 N 4.37 -0.97 -5.15 4.11 8.25 0.06 -4.52 115.22 121.38 2jka n HIS 255 Ca -0.06 -2.31 -0.30 0.00 -0.26 0.00 0.00 57.72 54.79 2jka n HIS 255 Cb 0.51 -0.48 -0.16 0.00 1.12 0.00 0.00 29.99 30.97 2jka n HIS 255 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2jka s LEU 256 N 0.00 2.03 -0.20 2.41 1.43 -0.25 -1.03 118.68 123.06 2jka s LEU 256 Ca 0.39 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 52.98 2jka s LEU 256 Cb -0.03 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.91 2jka s LEU 256 CO 0.25 0.22 -0.04 0.21 0.23 0.00 0.00 176.35 177.22 2jka s ASN 257 N -0.08 4.47 -0.23 2.29 2.47 -0.15 -0.89 114.94 122.82 2jka s ASN 257 Ca -0.04 -0.31 -0.22 0.00 0.42 0.00 0.00 52.86 52.71 2jka s ASN 257 Cb -0.13 -1.76 -0.02 0.00 -1.45 0.00 0.00 41.25 37.89 2jka s ASN 257 CO 0.04 0.03 0.69 -0.22 -3.72 0.00 0.00 177.10 173.91 2jka s LEU 258 N 1.16 4.09 -0.62 3.21 2.96 0.35 -1.26 118.68 128.57 2jka s LEU 258 Ca 0.02 0.84 -0.26 0.00 -0.22 0.00 0.00 54.13 54.51 2jka s LEU 258 Cb -0.14 -2.96 0.04 0.00 0.50 0.00 0.00 46.19 43.63 2jka s LEU 258 CO -0.00 -0.38 1.09 -0.62 -1.32 0.00 0.00 176.35 175.12 2jka s ASP 259 N 1.36 6.31 0.00 3.68 2.15 0.64 -4.78 116.67 126.02 2jka s ASP 259 Ca 0.29 -0.33 0.14 0.00 0.43 0.00 0.00 52.55 53.08 2jka s ASP 259 Cb -0.16 -2.50 0.46 0.00 -0.30 0.00 0.00 42.92 40.43 2jka s ASP 259 CO 0.09 -1.47 1.35 -0.90 -0.17 0.00 0.00 175.17 174.07 2jka n ASP 260 N 8.20 1.63 -0.09 -0.34 5.75 -1.26 -0.36 116.55 130.08 2jka n ASP 260 Ca 0.03 -1.89 -0.19 0.00 -0.01 0.00 0.00 54.79 52.73 2jka n ASP 260 Cb 0.48 -0.17 -0.12 0.00 -1.03 0.00 0.00 41.12 40.28 2jka n ASP 260 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 2jka h LYS 261 N 1.90 0.00 -0.02 0.11 1.63 -1.97 -3.40 116.57 114.82 2jka h LYS 261 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2jka h LYS 261 Cb 0.43 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 2jka h LYS 261 CO 0.00 0.99 -0.13 0.09 -3.45 0.00 0.00 179.45 176.96 2jka n ASN 262 N -4.49 2.23 -3.63 4.20 3.02 -1.19 -4.98 115.26 110.41 2jka n ASN 262 Ca -0.25 -1.66 -0.21 0.00 -0.03 0.00 0.00 54.58 52.44 2jka n ASN 262 Cb 0.61 0.11 0.04 0.00 -0.61 0.00 0.00 39.78 39.94 2jka n ASN 262 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2jka n MET 263 N 0.57 -4.91 -4.25 3.52 2.81 0.51 -4.71 117.12 110.66 2jka n MET 263 Ca 0.14 0.66 -0.33 0.00 -1.81 0.00 0.00 57.70 56.37 2jka n MET 263 Cb 0.49 -5.27 -0.16 0.00 -0.71 0.00 0.00 33.22 27.56 2jka n MET 263 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2jka s VAL 264 N -3.60 2.01 0.21 2.03 1.01 -0.94 -0.14 120.40 120.98 2jka s VAL 264 Ca 0.04 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 60.91 2jka s VAL 264 Cb -0.01 -1.81 -0.08 0.00 0.00 0.00 0.00 36.38 34.48 2jka s VAL 264 CO 0.80 0.53 0.69 -0.36 0.00 0.00 0.00 175.10 176.77 2jka s PHE 265 N 1.19 3.64 0.00 5.22 0.08 -0.58 -0.26 117.98 127.28 2jka s PHE 265 Ca 0.02 1.33 0.02 0.00 0.12 0.00 0.00 56.93 58.43 2jka s PHE 265 Cb -0.14 -2.58 -0.01 0.00 -0.57 0.00 0.00 43.02 39.73 2jka s PHE 265 CO -0.10 0.35 -0.07 -2.00 -0.10 0.00 0.00 175.22 173.30 2jka s GLU 266 N -1.96 0.57 0.25 0.44 2.12 -0.39 -0.05 118.70 119.67 2jka s GLU 266 Ca 0.42 -0.34 -0.30 0.00 0.36 0.00 0.00 54.97 55.11 2jka s GLU 266 Cb -0.16 -0.53 -0.14 0.00 0.26 0.00 0.00 34.13 33.55 2jka s GLU 266 CO 0.21 0.14 1.12 -1.13 -0.54 0.00 0.00 175.26 175.05 2jka n SER 267 N 2.67 1.54 -3.58 -1.70 3.41 0.79 -0.97 113.62 115.78 2jka n SER 267 Ca -0.15 1.16 -0.28 0.00 -0.26 0.00 0.00 58.87 59.35 2jka n SER 267 Cb 0.57 -1.29 -0.16 0.00 -0.26 0.00 0.00 64.21 63.08 2jka n SER 267 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2jka s TRP 268 N -0.65 0.39 0.80 7.33 -0.11 -0.20 -4.64 118.94 121.86 2jka s TRP 268 Ca 0.64 -0.76 -0.11 0.00 1.22 0.00 0.00 56.10 57.09 2jka s TRP 268 Cb -0.74 -0.89 0.08 0.00 -1.50 0.00 0.00 33.47 30.42 2jka s TRP 268 CO 0.56 -0.73 1.16 -0.51 -4.62 0.00 0.00 176.95 172.81 2jka s LEU 269 N 2.08 2.56 -0.18 5.86 2.01 -1.26 -0.76 118.68 128.98 2jka s LEU 269 Ca 0.07 0.71 -0.16 0.00 0.01 0.00 0.00 54.13 54.75 2jka s LEU 269 Cb -0.16 -3.20 -0.04 0.00 0.01 0.00 0.00 46.19 42.80 2jka s LEU 269 CO -0.27 -1.90 0.40 -0.89 1.01 0.00 0.00 176.35 174.69 2jka s THR 270 N -3.54 5.21 0.49 5.49 2.01 -0.91 -4.87 115.64 119.51 2jka s THR 270 Ca 0.62 0.73 -0.18 0.00 0.31 0.00 0.00 61.69 63.17 2jka s THR 270 Cb -0.11 -3.73 -0.09 0.00 0.01 0.00 0.00 72.50 68.59 2jka s THR 270 CO 0.49 0.29 0.98 -2.16 -0.69 0.00 0.00 174.62 173.53 2jka s PRO 271 N 1.04 3.97 0.32 4.92 0.04 -1.26 -4.61 135.00 139.42 2jka s PRO 271 Ca 0.20 1.06 -0.05 0.00 0.04 0.00 0.00 61.00 62.26 2jka s PRO 271 Cb -0.14 -2.14 0.07 0.00 0.04 0.00 0.00 34.50 32.33 2jka s PRO 271 CO 0.08 -0.26 0.43 -0.40 0.04 0.00 0.00 177.00 176.89 2jka n ASP 272 N -1.27 0.09 0.26 6.66 5.68 0.60 -4.51 116.55 124.07 2jka n ASP 272 Ca 0.07 -1.19 0.18 0.00 -0.50 0.00 0.00 54.79 53.34 2jka n ASP 272 Cb 0.54 -0.32 0.86 0.00 -1.14 0.00 0.00 41.12 41.05 2jka n ASP 272 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jka h ALA 273 N -1.73 1.00 -0.15 2.12 0.00 -1.89 -1.31 119.26 117.30 2jka h ALA 273 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2jka h ALA 273 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jka h ALA 273 CO 0.10 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.98 2jka n LYS 274 N -2.79 1.84 -0.11 0.00 5.02 -1.26 -4.96 118.16 115.89 2jka n LYS 274 Ca -0.01 -1.79 0.00 0.00 -2.02 0.00 0.00 58.31 54.49 2jka n LYS 274 Cb 0.14 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 2jka n LYS 274 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jka n GLY 275 N 1.07 0.58 3.88 0.72 0.00 -0.50 -5.06 105.19 105.88 2jka n GLY 275 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2jka n GLY 275 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jka s ASP 276 N -2.74 6.22 -0.22 1.61 1.01 -1.26 -4.64 116.67 116.66 2jka s ASP 276 Ca 0.00 1.34 0.15 0.00 0.71 0.00 0.00 52.55 54.75 2jka s ASP 276 Cb 0.00 -2.43 0.46 0.00 1.01 0.00 0.00 42.92 41.96 2jka s ASP 276 CO 0.00 -0.83 1.18 0.29 0.21 0.00 0.00 175.17 176.01 2jka n LYS 277 N -2.68 2.12 0.00 8.23 5.02 0.30 -0.29 118.16 130.86 2jka n LYS 277 Ca 0.05 -3.47 0.00 0.00 -2.02 0.00 0.00 58.31 52.88 2jka n LYS 277 Cb 0.54 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 2jka n LYS 277 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jka n GLY 278 N -0.60 3.81 3.62 0.72 0.00 -1.23 -4.61 105.19 106.89 2jka n GLY 278 Ca 0.23 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 2jka n GLY 278 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jka s TYR 279 N 0.00 3.26 0.19 1.61 1.51 -1.26 -0.84 117.35 121.81 2jka s TYR 279 Ca 0.00 0.77 0.11 0.00 -1.01 0.00 0.00 57.07 56.94 2jka s TYR 279 Cb 0.00 -2.92 -0.04 0.00 -0.11 0.00 0.00 41.96 38.88 2jka s TYR 279 CO 0.00 -0.39 -0.21 -1.64 -1.11 0.00 0.00 175.55 172.20 2jka s MET 280 N 2.59 1.65 -0.10 -0.62 -1.94 0.07 -4.97 119.30 115.98 2jka s MET 280 Ca 0.27 -1.45 -0.04 0.00 -1.71 0.00 0.00 55.69 52.76 2jka s MET 280 Cb -0.15 -1.93 0.05 0.00 2.01 0.00 0.00 34.83 34.81 2jka s MET 280 CO 0.10 0.41 0.19 -1.14 -0.01 0.00 0.00 175.02 174.57 2jka s GLN 281 N -2.67 0.08 0.54 2.03 0.74 -1.25 -1.69 119.66 117.44 2jka s GLN 281 Ca 0.21 0.59 -0.20 0.00 0.05 0.00 0.00 55.36 56.02 2jka s GLN 281 Cb -0.08 -0.19 -0.06 0.00 1.10 0.00 0.00 33.01 33.77 2jka s GLN 281 CO 0.11 -0.28 1.13 0.95 -0.55 0.00 0.00 175.29 176.64 2jka s THR 282 N 2.18 3.19 0.16 -0.34 -4.23 0.23 -3.82 115.64 113.01 2jka s THR 282 Ca 0.01 0.75 -0.30 0.00 -1.18 0.00 0.00 61.69 60.97 2jka s THR 282 Cb -0.12 -3.30 -0.07 0.00 1.34 0.00 0.00 72.50 70.34 2jka s THR 282 CO -0.07 -0.15 0.99 -2.16 -0.54 0.00 0.00 174.62 172.69 2jka s PRO 283 N -3.26 4.71 0.26 3.99 0.04 -1.26 -4.71 135.00 134.77 2jka s PRO 283 Ca 0.72 1.54 -0.13 0.00 0.04 0.00 0.00 61.00 63.16 2jka s PRO 283 Cb -0.24 -3.32 -0.00 0.00 0.04 0.00 0.00 34.50 30.98 2jka s PRO 283 CO 0.27 0.26 0.51 0.00 0.04 0.00 0.00 177.00 178.08 2jka s ASN 285 N -3.02 0.30 0.72 0.00 0.01 -1.26 -0.64 114.94 111.04 2jka s ASN 285 Ca 0.21 -0.63 -0.11 0.00 -0.71 0.00 0.00 52.86 51.62 2jka s ASN 285 Cb -0.01 0.14 0.02 0.00 0.41 0.00 0.00 41.25 41.81 2jka s ASN 285 CO 0.09 -0.39 1.11 0.42 -1.51 0.00 0.00 177.10 176.81 2jka s THR 286 N -2.17 3.24 0.97 1.60 -4.23 0.07 -5.00 115.64 110.12 2jka s THR 286 Ca -0.09 0.39 -0.11 0.00 -1.18 0.00 0.00 61.69 60.69 2jka s THR 286 Cb -0.05 -3.40 0.17 0.00 1.34 0.00 0.00 72.50 70.57 2jka s THR 286 CO -0.04 -0.52 1.09 -2.84 -0.54 0.00 0.00 174.62 171.78 2jka s PRO 287 N -5.39 0.62 0.59 3.99 0.02 -1.26 -4.58 135.00 129.01 2jka s PRO 287 Ca 0.59 1.14 -0.17 0.00 0.02 0.00 0.00 61.00 62.58 2jka s PRO 287 Cb -0.11 -1.71 -0.03 0.00 0.02 0.00 0.00 34.50 32.67 2jka s PRO 287 CO 0.51 -2.77 1.09 -1.58 -0.33 0.00 0.00 177.00 173.92 2jka s TRP 288 N -2.69 2.78 -0.09 6.54 0.52 -0.51 -4.60 118.94 120.89 2jka s TRP 288 Ca 0.66 1.54 0.02 0.00 0.02 0.00 0.00 56.10 58.33 2jka s TRP 288 Cb -0.22 -3.14 -0.02 0.00 -1.15 0.00 0.00 33.47 28.95 2jka s TRP 288 CO 0.59 -1.40 -0.14 1.03 0.02 0.00 0.00 176.95 177.06 2jka s ARG 289 N -3.81 2.99 -0.01 4.98 3.00 0.14 -1.31 118.95 124.93 2jka s ARG 289 Ca 0.67 -0.69 0.06 0.00 0.00 0.00 0.00 55.73 55.77 2jka s ARG 289 Cb -0.19 -2.51 -0.02 0.00 0.00 0.00 0.00 34.95 32.22 2jka s ARG 289 CO 0.34 0.40 -0.20 0.95 0.00 0.00 0.00 175.30 176.79 2jka s THR 290 N -0.14 1.57 -0.26 0.02 -4.23 0.12 -1.06 115.64 111.66 2jka s THR 290 Ca -0.01 -0.87 0.02 0.00 -1.18 0.00 0.00 61.69 59.65 2jka s THR 290 Cb -0.14 -1.31 0.07 0.00 1.34 0.00 0.00 72.50 72.47 2jka s THR 290 CO 0.03 0.43 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.87 2jka s ILE 291 N -0.48 1.78 -0.19 2.99 1.01 0.81 -1.68 121.20 125.43 2jka s ILE 291 Ca 0.08 -1.53 -0.07 0.00 0.00 0.00 0.00 60.65 59.12 2jka s ILE 291 Cb -0.08 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 2jka s ILE 291 CO -0.01 -0.20 0.07 -0.63 0.00 0.00 0.00 174.94 174.16 2jka s ILE 292 N 1.25 4.75 -0.03 2.92 1.01 -0.19 -0.52 121.20 130.39 2jka s ILE 292 Ca -0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.55 2jka s ILE 292 Cb -0.19 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 39.13 2jka s ILE 292 CO -0.08 0.44 0.08 0.54 0.00 0.00 0.00 174.94 175.93 2jka s VAL 293 N 0.51 0.01 0.19 2.92 0.11 -0.14 -0.55 120.40 123.45 2jka s VAL 293 Ca 0.03 -0.07 -0.19 0.00 -2.93 0.00 0.00 61.98 58.82 2jka s VAL 293 Cb -0.13 -0.15 0.04 0.00 -1.53 0.00 0.00 36.38 34.61 2jka s VAL 293 CO 0.01 -0.04 0.55 -0.55 -3.33 0.00 0.00 175.10 171.74 2jka s SER 294 N -0.08 -0.32 0.00 3.54 0.15 -0.89 -4.54 113.70 111.55 2jka s SER 294 Ca -0.01 -0.38 0.27 0.00 0.70 0.00 0.00 55.95 56.52 2jka s SER 294 Cb -0.01 0.59 0.75 0.00 -1.71 0.00 0.00 66.02 65.64 2jka s SER 294 CO 0.00 -1.05 1.57 -0.90 1.20 0.00 0.00 173.24 174.06 2jka n ASP 295 N -0.35 1.81 -4.04 5.45 5.68 -1.26 -0.23 116.55 123.60 2jka n ASP 295 Ca -0.11 -1.53 -0.30 0.00 -0.50 0.00 0.00 54.79 52.34 2jka n ASP 295 Cb 0.63 0.04 -0.16 0.00 -1.14 0.00 0.00 41.12 40.49 2jka n ASP 295 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2jka s ASP 296 N -2.10 2.71 0.44 -1.12 -1.08 -1.26 -4.84 116.67 109.42 2jka s ASP 296 Ca 0.33 -0.50 0.12 0.00 -0.52 0.00 0.00 52.55 51.98 2jka s ASP 296 Cb 0.20 -1.20 0.97 0.00 -1.46 0.00 0.00 42.92 41.43 2jka s ASP 296 CO 0.37 -0.04 2.02 0.00 0.52 0.00 0.00 175.17 178.03 2jka h ALA 297 N 7.96 1.71 -0.05 3.66 0.00 -1.87 -1.28 119.26 129.40 2jka h ALA 297 Ca -0.38 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.43 2jka h ALA 297 Cb 1.14 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2jka h ALA 297 CO 0.54 0.22 0.04 0.00 0.00 0.00 0.00 179.25 180.04 2jka h ARG 298 N 0.16 0.00 0.00 0.00 3.08 -1.94 -1.71 114.38 113.97 2jka h ARG 298 Ca 0.04 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 2jka h ARG 298 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2jka h ARG 298 CO 0.01 0.00 -0.30 -0.91 -1.07 0.00 0.00 179.97 177.69 2jka h ASN 299 N 0.00 0.00 -0.36 7.04 2.35 -1.64 -1.44 115.58 121.53 2jka h ASN 299 Ca 0.02 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 2jka h ASN 299 Cb 0.10 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2jka h ASN 299 CO -0.00 0.30 0.16 0.40 -1.65 0.00 0.00 177.43 176.64 2jka h ILE 300 N 0.00 1.18 -0.26 2.81 1.08 -1.37 -1.83 117.51 119.12 2jka h ILE 300 Ca -0.00 -0.53 -0.09 0.00 -0.39 0.00 0.00 64.86 63.85 2jka h ILE 300 Cb 0.87 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 35.46 2jka h ILE 300 CO 0.04 0.19 -0.21 -0.07 -0.69 0.00 0.00 178.15 177.41 2jka h LEU 301 N 0.44 0.47 -1.24 1.44 3.38 -1.47 -2.95 115.31 115.39 2jka h LEU 301 Ca 0.12 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2jka h LEU 301 Cb 0.15 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2jka h LEU 301 CO -0.01 0.69 -0.20 0.00 0.09 0.00 0.00 178.44 179.01 2jka h ALA 302 N 1.35 1.05 -2.91 1.53 0.00 -1.08 -3.46 119.26 115.74 2jka h ALA 302 Ca 0.07 -0.18 -0.54 0.00 0.00 0.00 0.00 54.91 54.26 2jka h ALA 302 Cb 0.61 -0.03 0.10 0.00 0.00 0.00 0.00 17.79 18.47 2jka h ALA 302 CO 0.04 0.25 0.80 0.45 0.00 0.00 0.00 179.25 180.79 2jka s SER 303 N -6.16 6.37 -0.15 0.00 0.15 -0.70 -4.91 113.70 108.30 2jka s SER 303 Ca 0.00 3.01 0.17 0.00 0.70 0.00 0.00 55.95 59.84 2jka s SER 303 Cb 0.11 -2.66 0.32 0.00 -1.71 0.00 0.00 66.02 62.08 2jka s SER 303 CO 0.62 -0.87 1.17 0.54 1.20 0.00 0.00 173.24 175.91 2jka n ARG 304 N 0.85 1.38 -0.22 5.44 5.12 -1.26 -4.76 116.66 123.20 2jka n ARG 304 Ca 0.02 -2.74 0.00 0.00 -1.93 0.00 0.00 57.85 53.21 2jka n ARG 304 Cb 0.39 -1.53 0.12 0.00 -1.16 0.00 0.00 32.46 30.27 2jka n ARG 304 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2jka h ILE 305 N 0.24 0.82 0.04 0.55 2.04 -1.96 -0.71 117.51 118.53 2jka h ILE 305 Ca 0.00 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2jka h ILE 305 Cb 1.01 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2jka h ILE 305 CO 0.01 0.09 -0.05 0.74 0.00 0.00 0.00 178.15 178.94 2jka h THR 306 N 0.50 0.87 -0.38 -0.27 2.02 -1.95 -1.92 112.91 111.79 2jka h THR 306 Ca 0.32 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.51 2jka h THR 306 Cb 0.36 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2jka h THR 306 CO -0.28 0.00 0.25 -0.07 0.37 0.00 0.00 175.52 175.79 2jka h LEU 307 N -0.11 0.43 -2.11 2.58 3.38 -1.82 -3.00 115.31 114.66 2jka h LEU 307 Ca 0.01 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.04 2jka h LEU 307 Cb 0.12 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2jka h LEU 307 CO -0.03 0.31 0.20 0.78 0.09 0.00 0.00 178.44 179.80 2jka h ASN 308 N 0.51 0.00 0.00 -0.43 -0.26 -0.80 -1.54 115.58 113.06 2jka h ASN 308 Ca 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 2jka h ASN 308 Cb -0.06 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.20 2jka h ASN 308 CO -0.03 0.00 -0.01 0.18 -1.06 0.00 0.00 177.43 176.50 2jka n LEU 309 N -4.17 1.37 -4.90 1.61 4.77 -0.75 -4.85 117.00 110.08 2jka n LEU 309 Ca 0.03 -0.45 -0.29 0.00 -0.03 0.00 0.00 56.01 55.27 2jka n LEU 309 Cb 0.35 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 2jka n LEU 309 CO 0.32 0.23 0.20 0.20 -1.33 0.00 0.00 177.39 177.01 2jka s ASN 310 N -2.03 6.48 0.37 -1.43 0.01 -0.58 -4.77 114.94 112.98 2jka s ASN 310 Ca 0.38 0.75 -0.28 0.00 -0.71 0.00 0.00 52.86 52.99 2jka s ASN 310 Cb 0.21 -2.16 -0.11 0.00 0.41 0.00 0.00 41.25 39.60 2jka s ASN 310 CO 0.35 -0.17 1.49 -0.62 -1.51 0.00 0.00 177.10 176.64 2jka n GLU 311 N -0.77 2.64 -1.14 -0.60 1.02 -1.26 -4.92 120.64 115.61 2jka n GLU 311 Ca -0.01 0.93 -0.34 0.00 -0.02 0.00 0.00 57.16 57.71 2jka n GLU 311 Cb 0.54 -2.65 0.11 0.00 -0.02 0.00 0.00 31.44 29.41 2jka n GLU 311 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2jka n PRO 312 N 0.64 0.20 -1.32 3.49 -0.02 -1.26 -3.18 135.00 133.55 2jka n PRO 312 Ca 0.02 0.13 -0.52 0.00 -2.02 0.00 0.00 63.50 61.12 2jka n PRO 312 Cb 0.38 -2.21 -0.07 0.00 -0.02 0.00 0.00 33.50 31.58 2jka n PRO 312 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jka n LYS 314 N 1.89 1.61 -3.25 0.00 5.02 0.10 -4.83 118.16 118.70 2jka n LYS 314 Ca 0.20 -1.58 -0.45 0.00 -2.02 0.00 0.00 58.31 54.46 2jka n LYS 314 Cb 0.03 -1.36 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 2jka n LYS 314 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jka s ILE 315 N -1.59 5.08 0.39 -0.18 1.01 -1.25 -4.94 121.20 119.70 2jka s ILE 315 Ca 0.22 -1.28 0.13 0.00 0.00 0.00 0.00 60.65 59.72 2jka s ILE 315 Cb 0.16 -4.37 0.11 0.00 0.01 0.00 0.00 42.46 38.36 2jka s ILE 315 CO 0.25 -0.93 1.86 0.00 0.00 0.00 0.00 174.94 176.12 2jka h ALA 316 N 8.98 1.45 -0.46 9.38 0.00 -1.98 -2.15 119.26 134.49 2jka h ALA 316 Ca -0.30 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 2jka h ALA 316 Cb 1.10 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2jka h ALA 316 CO 1.05 0.42 0.01 -0.40 0.00 0.00 0.00 179.25 180.32 2jka n ASP 317 N -4.14 5.01 -0.24 0.00 5.75 -1.26 -4.72 116.55 116.96 2jka n ASP 317 Ca -0.02 -2.98 0.04 0.00 -0.01 0.00 0.00 54.79 51.82 2jka n ASP 317 Cb 0.37 -0.63 0.16 0.00 -1.03 0.00 0.00 41.12 39.99 2jka n ASP 317 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jka h ALA 318 N 3.11 0.87 -0.02 2.12 0.00 -1.81 -0.35 119.26 123.19 2jka h ALA 318 Ca 0.01 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2jka h ALA 318 Cb 1.79 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.81 2jka h ALA 318 CO 0.40 -0.34 0.03 0.00 0.00 0.00 0.00 179.25 179.33 2jka h ALA 319 N 1.58 1.48 0.00 0.00 0.00 -1.85 0.36 119.26 120.83 2jka h ALA 319 Ca 0.39 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 2jka h ALA 319 Cb 0.65 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2jka h ALA 319 CO -0.50 -0.03 -0.04 0.77 0.00 0.00 0.00 179.25 179.45 2jka h SER 320 N 0.00 0.00 0.00 0.00 0.02 -1.43 -3.40 113.55 108.73 2jka h SER 320 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2jka h SER 320 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2jka h SER 320 CO -0.00 0.04 -0.28 -2.67 -1.14 0.00 0.00 176.83 172.78 2jka n TRP 321 N -3.12 0.00 -2.58 3.45 4.27 -0.42 -5.01 117.44 114.03 2jka n TRP 321 Ca 0.03 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.21 2jka n TRP 321 Cb 0.47 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.40 2jka n TRP 321 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 2jka s VAL 322 N -0.85 4.44 0.02 -1.67 1.01 0.11 -5.01 120.40 118.45 2jka s VAL 322 Ca 0.00 1.67 0.03 0.00 0.00 0.00 0.00 61.98 63.67 2jka s VAL 322 Cb 0.00 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 2jka s VAL 322 CO 0.00 -0.42 -0.09 -0.54 0.00 0.00 0.00 175.10 174.05 2jka s LYS 323 N 3.69 0.63 0.77 2.72 -0.14 -1.26 -4.77 119.74 121.39 2jka s LYS 323 Ca 0.48 -0.56 -0.14 0.00 -1.36 0.00 0.00 55.97 54.39 2jka s LYS 323 Cb -0.14 -0.55 0.06 0.00 -1.68 0.00 0.00 37.83 35.52 2jka s LYS 323 CO 0.16 0.13 1.21 -2.14 -0.76 0.00 0.00 175.35 173.95 2jka s PRO 324 N -0.93 1.86 -0.07 -1.68 0.02 -1.26 -5.03 135.00 127.90 2jka s PRO 324 Ca -0.02 1.78 -0.01 0.00 0.02 0.00 0.00 61.00 62.77 2jka s PRO 324 Cb -0.07 -1.80 0.03 0.00 0.02 0.00 0.00 34.50 32.68 2jka s PRO 324 CO 0.00 -2.05 -0.00 0.08 -0.33 0.00 0.00 177.00 174.70 2jka s VAL 325 N -2.04 0.41 -0.18 3.83 1.01 -0.01 -5.02 120.40 118.40 2jka s VAL 325 Ca 0.74 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.72 2jka s VAL 325 Cb -0.30 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 2jka s VAL 325 CO 0.48 0.26 0.11 -0.75 0.00 0.00 0.00 175.10 175.20 2jka s LYS 326 N 1.87 3.97 0.05 2.72 2.20 -1.26 -1.01 119.74 128.29 2jka s LYS 326 Ca 0.04 -0.24 -0.03 0.00 -0.36 0.00 0.00 55.97 55.38 2jka s LYS 326 Cb -0.12 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 2jka s LYS 326 CO -0.05 0.39 0.03 1.52 -0.36 0.00 0.00 175.35 176.88 2jka s TYR 327 N 0.07 0.40 0.47 4.03 -0.85 -0.01 -0.78 117.35 120.68 2jka s TYR 327 Ca 0.08 -0.88 0.01 0.00 -0.52 0.00 0.00 57.07 55.76 2jka s TYR 327 Cb -0.11 -0.29 0.01 0.00 0.38 0.00 0.00 41.96 41.95 2jka s TYR 327 CO -0.00 -0.40 0.07 0.44 -1.52 0.00 0.00 175.55 174.14 2jka n ILE 328 N 0.23 0.00 -3.54 -3.49 -5.35 -0.96 -0.45 119.36 105.81 2jka n ILE 328 Ca -0.15 -2.14 -0.10 0.00 -0.27 0.00 0.00 62.75 60.09 2jka n ILE 328 Cb 0.61 0.34 -0.04 0.00 -1.74 0.00 0.00 39.64 38.81 2jka n ILE 328 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2jka s GLY 329 N -3.62 -0.38 -0.64 3.28 0.00 -1.26 -0.88 107.32 103.82 2jka s GLY 329 Ca 0.05 1.51 -0.27 0.00 0.00 0.00 0.00 44.72 46.01 2jka s GLY 329 CO 0.03 0.70 1.42 0.14 0.00 0.00 0.00 173.10 175.39 2jka s VAL 330 N -2.06 3.71 0.02 1.40 1.01 -0.14 -4.41 120.40 119.93 2jka s VAL 330 Ca 0.01 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.50 2jka s VAL 330 Cb -0.01 -4.56 0.00 0.00 0.00 0.00 0.00 36.38 31.81 2jka s VAL 330 CO -0.03 -1.40 0.00 1.87 0.00 0.00 0.00 175.10 175.54 2jka n TRP 331 N 9.94 -2.33 -0.13 5.22 -0.00 -1.26 -2.55 117.44 126.32 2jka n TRP 331 Ca 0.10 0.06 0.19 0.00 -0.00 0.00 0.00 57.50 57.85 2jka n TRP 331 Cb 0.50 0.59 0.59 0.00 -0.00 0.00 0.00 31.31 32.98 2jka n TRP 331 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 177.69 180.04 2jka h TRP 332 N 0.00 0.29 -0.60 5.87 -0.00 -1.77 0.06 115.95 119.80 2jka h TRP 332 Ca 0.00 0.01 0.12 0.00 -0.00 0.00 0.00 58.89 59.02 2jka h TRP 332 Cb 0.00 -0.09 -0.10 0.00 -0.00 0.00 0.00 29.16 28.97 2jka h TRP 332 CO 0.00 0.10 -0.03 -0.44 -0.00 0.00 0.00 178.44 178.07 2jka h ASP 333 N 0.24 -0.32 0.47 2.65 5.19 -1.92 -1.09 116.42 121.64 2jka h ASP 333 Ca 0.36 0.15 -0.30 0.00 -0.62 0.00 0.00 57.03 56.62 2jka h ASP 333 Cb 1.07 0.28 0.01 0.00 0.18 0.00 0.00 39.33 40.87 2jka h ASP 333 CO -0.08 -0.13 -1.40 0.24 -3.12 0.00 0.00 179.24 174.76 2jka h MET 334 N 0.09 0.35 -0.66 3.56 2.86 -1.19 0.63 114.93 120.58 2jka h MET 334 Ca 0.31 -0.60 0.01 0.00 -2.06 0.00 0.00 59.70 57.36 2jka h MET 334 Cb 0.49 0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.34 2jka h MET 334 CO -0.53 1.27 0.44 0.82 1.06 0.00 0.00 176.91 179.96 2jka h ILE 335 N 0.10 1.16 0.00 -1.22 1.08 -1.13 -2.47 117.51 115.03 2jka h ILE 335 Ca -0.20 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 2jka h ILE 335 Cb 2.05 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 36.00 2jka h ILE 335 CO 0.22 0.16 -0.59 0.71 -0.69 0.00 0.00 178.15 177.95 2jka h THR 336 N 0.88 0.00 0.00 -0.27 1.35 -1.23 -3.47 112.91 110.17 2jka h THR 336 Ca 0.24 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2jka h THR 336 Cb -0.08 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 2jka h THR 336 CO -0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.83 2jka n GLY 337 N 1.20 0.67 0.25 5.82 0.00 -0.89 -4.65 105.19 107.58 2jka n GLY 337 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 2jka n GLY 337 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jka h LYS 338 N 4.27 0.83 0.00 1.61 3.64 -1.18 -3.46 116.57 122.28 2jka h LYS 338 Ca 0.00 -0.13 -0.57 0.00 -1.27 0.00 0.00 60.65 58.67 2jka h LYS 338 Cb 0.00 -0.14 -0.11 0.00 -0.41 0.00 0.00 32.23 31.56 2jka h LYS 338 CO 0.00 0.69 -0.43 0.41 -2.27 0.00 0.00 179.45 177.85 2jka n GLY 339 N -0.88 3.53 3.40 5.01 0.00 -0.21 -4.98 105.19 111.06 2jka n GLY 339 Ca 0.03 -2.28 -0.25 0.00 0.00 0.00 0.00 46.02 43.53 2jka n GLY 339 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jka s SER 340 N -3.46 3.22 0.10 1.61 0.01 0.39 -4.20 113.70 111.38 2jka s SER 340 Ca 0.06 -0.90 -0.01 0.00 1.31 0.00 0.00 55.95 56.41 2jka s SER 340 Cb 0.00 -0.23 -0.21 0.00 0.21 0.00 0.00 66.02 65.79 2jka s SER 340 CO 0.04 0.05 1.22 -0.50 0.41 0.00 0.00 173.24 174.47 2jka h TRP 341 N 3.02 0.35 -4.14 2.43 6.55 -1.90 -3.14 115.95 119.12 2jka h TRP 341 Ca -0.44 -0.24 -0.49 0.00 0.95 0.00 0.00 58.89 58.67 2jka h TRP 341 Cb 1.22 -0.02 0.06 0.00 -0.86 0.00 0.00 29.16 29.56 2jka h TRP 341 CO 0.71 1.16 0.39 0.00 -1.05 0.00 0.00 178.44 179.64 2jka s ALA 342 N -2.80 2.75 -0.08 1.49 0.00 -1.26 -4.58 121.76 117.28 2jka s ALA 342 Ca -0.03 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.48 2jka s ALA 342 Cb 0.08 -3.26 -0.25 0.00 0.00 0.00 0.00 23.12 19.69 2jka s ALA 342 CO 0.86 -0.70 0.53 -0.92 0.00 0.00 0.00 175.76 175.53 2jka h TYR 343 N 0.83 0.29 -3.91 0.00 3.20 -1.90 -3.40 116.97 112.10 2jka h TYR 343 Ca -0.48 -0.22 -0.32 0.00 3.14 0.00 0.00 58.73 60.85 2jka h TYR 343 Cb 1.23 -0.01 -0.20 0.00 1.54 0.00 0.00 36.73 39.28 2jka h TYR 343 CO 0.57 1.44 -0.75 -0.08 -1.64 0.00 0.00 178.16 177.70 2jka s THR 344 N -2.58 0.79 -1.88 1.81 -1.32 -1.26 -1.90 115.64 109.31 2jka s THR 344 Ca -0.14 -1.29 0.16 0.00 -1.21 0.00 0.00 61.69 59.20 2jka s THR 344 Cb 0.07 -0.94 0.17 0.00 -1.51 0.00 0.00 72.50 70.29 2jka s THR 344 CO 0.80 -0.39 1.05 0.47 -2.21 0.00 0.00 174.62 174.34 2jka n ASP 345 N 1.17 2.46 -0.32 8.08 8.00 -1.26 -4.68 116.55 129.99 2jka n ASP 345 Ca -0.21 -1.71 0.13 0.00 0.71 0.00 0.00 54.79 53.72 2jka n ASP 345 Cb 0.55 -0.05 0.45 0.00 -0.02 0.00 0.00 41.12 42.05 2jka n ASP 345 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2jka n GLU 346 N 0.90 1.13 -4.29 -1.24 0.28 -1.26 -4.87 120.64 111.29 2jka n GLU 346 Ca 0.10 -0.65 -0.34 0.00 -0.16 0.00 0.00 57.16 56.11 2jka n GLU 346 Cb 0.41 -1.49 -0.09 0.00 1.43 0.00 0.00 31.44 31.71 2jka n GLU 346 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2jka s LEU 347 N -2.31 3.65 0.41 -1.84 1.43 -1.26 -5.01 118.68 113.74 2jka s LEU 347 Ca 0.30 0.12 0.22 0.00 -1.03 0.00 0.00 54.13 53.74 2jka s LEU 347 Cb 0.20 -1.95 0.46 0.00 0.03 0.00 0.00 46.19 44.93 2jka s LEU 347 CO 0.45 0.34 1.64 0.74 0.23 0.00 0.00 176.35 179.74 2jka h THR 348 N 3.83 0.30 -2.34 5.49 2.02 -2.00 -3.47 112.91 116.75 2jka h THR 348 Ca -0.50 -1.28 0.15 0.00 0.77 0.00 0.00 66.41 65.55 2jka h THR 348 Cb 1.19 2.03 -0.10 0.00 -1.74 0.00 0.00 68.15 69.52 2jka h THR 348 CO 0.56 0.16 0.48 -0.94 0.37 0.00 0.00 175.52 176.15 2jka s SER 349 N -6.21 -0.24 0.13 4.18 1.04 -1.26 -5.05 113.70 106.29 2jka s SER 349 Ca 0.05 -0.28 0.09 0.00 0.48 0.00 0.00 55.95 56.29 2jka s SER 349 Cb 0.07 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 2jka s SER 349 CO 0.67 -0.82 -0.21 0.68 0.98 0.00 0.00 173.24 174.54 2jka s VAL 350 N -3.25 1.84 -0.18 5.02 -7.23 -1.26 -5.08 120.40 110.26 2jka s VAL 350 Ca 0.10 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 2jka s VAL 350 Cb -0.01 -1.74 0.04 0.00 0.56 0.00 0.00 36.38 35.23 2jka s VAL 350 CO -0.01 -0.14 -0.09 -0.54 -0.31 0.00 0.00 175.10 174.00 2jka s LYS 351 N -2.29 1.84 0.27 4.82 1.02 -1.26 -5.02 119.74 119.12 2jka s LYS 351 Ca 0.11 -0.66 -0.31 0.00 0.02 0.00 0.00 55.97 55.14 2jka s LYS 351 Cb -0.08 -2.18 -0.12 0.00 -0.52 0.00 0.00 37.83 34.93 2jka s LYS 351 CO 0.06 -0.39 1.65 -0.51 -0.92 0.00 0.00 175.35 175.23 2jka s LEU 352 N 1.51 4.35 0.00 3.17 1.43 -1.26 -0.12 118.68 127.75 2jka s LEU 352 Ca 0.01 2.95 0.00 0.00 -1.03 0.00 0.00 54.13 56.05 2jka s LEU 352 Cb -0.15 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.44 2jka s LEU 352 CO -0.08 -0.95 0.00 0.61 0.23 0.00 0.00 176.35 176.16 2jka n GLY 353 N 2.75 1.24 0.94 -3.19 0.00 -1.26 -4.77 105.19 100.91 2jka n GLY 353 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 2jka n GLY 353 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jka n GLU 354 N -2.00 0.04 -1.71 1.61 1.02 -0.11 -5.03 120.64 114.47 2jka n GLU 354 Ca 0.00 0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.74 2jka n GLU 354 Cb 0.00 -0.58 -0.03 0.00 -0.02 0.00 0.00 31.44 30.81 2jka n GLU 354 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2jka n THR 355 N -3.21 0.12 -3.49 2.62 -1.04 0.82 -4.95 114.28 105.16 2jka n THR 355 Ca -0.04 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.53 2jka n THR 355 Cb 0.42 -2.01 -0.07 0.00 -1.82 0.00 0.00 70.33 66.84 2jka n THR 355 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2jka s ASP 356 N 1.68 5.84 0.34 8.00 -1.08 -1.26 -4.93 116.67 125.26 2jka s ASP 356 Ca 0.78 -1.90 0.10 0.00 -0.52 0.00 0.00 52.55 51.01 2jka s ASP 356 Cb -0.51 -2.06 0.62 0.00 -1.46 0.00 0.00 42.92 39.51 2jka s ASP 356 CO 0.34 -0.73 1.78 1.88 0.52 0.00 0.00 175.17 178.96 2jka h TYR 357 N 8.55 0.13 0.00 -5.34 0.05 -1.96 -1.67 116.97 116.73 2jka h TYR 357 Ca -0.23 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.52 2jka h TYR 357 Cb 1.08 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.79 2jka h TYR 357 CO 0.67 0.47 0.08 0.66 -1.05 0.00 0.00 178.16 178.99 2jka h SER 358 N 0.10 0.00 -0.68 3.88 4.64 -2.00 0.87 113.55 120.36 2jka h SER 358 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2jka h SER 358 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2jka h SER 358 CO 0.05 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.30 2jka n LYS 359 N -2.93 2.76 -4.07 4.77 5.02 -0.63 -4.96 118.16 118.12 2jka n LYS 359 Ca -0.03 -2.58 -0.24 0.00 -2.02 0.00 0.00 58.31 53.44 2jka n LYS 359 Cb 0.14 -1.53 -0.04 0.00 -0.02 0.00 0.00 35.03 33.58 2jka n LYS 359 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2jka s THR 360 N -1.00 4.65 -0.13 -0.18 -4.23 0.30 -5.07 115.64 109.97 2jka s THR 360 Ca 0.45 -1.16 -0.27 0.00 -1.18 0.00 0.00 61.69 59.54 2jka s THR 360 Cb 0.24 -3.45 -0.01 0.00 1.34 0.00 0.00 72.50 70.61 2jka s THR 360 CO 0.31 -0.23 0.90 -0.75 -0.54 0.00 0.00 174.62 174.31 2jka s LYS 361 N -3.52 4.36 0.50 3.99 2.47 -1.26 -5.03 119.74 121.25 2jka s LYS 361 Ca 0.32 1.18 -0.23 0.00 -1.56 0.00 0.00 55.97 55.68 2jka s LYS 361 Cb -0.09 -3.55 -0.06 0.00 -1.46 0.00 0.00 37.83 32.66 2jka s LYS 361 CO 0.25 -0.30 1.39 -2.14 0.16 0.00 0.00 175.35 174.71 2jka s PRO 362 N 2.02 3.38 0.00 4.03 0.02 -1.26 -4.25 135.00 138.93 2jka s PRO 362 Ca 0.43 2.32 0.30 0.00 0.02 0.00 0.00 61.00 64.06 2jka s PRO 362 Cb -0.17 -2.43 1.41 0.00 0.02 0.00 0.00 34.50 33.33 2jka s PRO 362 CO 0.15 -1.02 1.95 0.27 -0.33 0.00 0.00 177.00 178.02 2jka n ASN 363 N -0.66 0.71 0.00 2.53 0.23 -0.80 -4.88 115.26 112.40 2jka n ASN 363 Ca 0.08 -1.12 0.00 0.00 -0.53 0.00 0.00 54.58 53.01 2jka n ASN 363 Cb 0.44 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.12 2jka n ASN 363 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jka n GLY 364 N 1.13 0.72 0.00 4.83 0.00 -1.26 -4.83 105.19 105.77 2jka n GLY 364 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2jka n GLY 364 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jka n LYS 365 N -2.04 2.03 -2.68 1.61 2.85 -1.26 -5.03 118.16 113.65 2jka n LYS 365 Ca 0.00 -1.18 -0.42 0.00 -1.05 0.00 0.00 58.31 55.66 2jka n LYS 365 Cb 0.02 -0.85 -0.03 0.00 -0.65 0.00 0.00 35.03 33.52 2jka n LYS 365 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2jka s HIS 366 N -0.68 2.65 0.13 5.58 2.46 -1.26 -0.46 115.29 123.70 2jka s HIS 366 Ca 0.00 0.21 0.22 0.00 0.47 0.00 0.00 55.06 55.96 2jka s HIS 366 Cb 0.00 -4.36 0.83 0.00 -0.13 0.00 0.00 32.58 28.91 2jka s HIS 366 CO 0.00 -1.54 1.79 0.77 -2.47 0.00 0.00 174.74 173.29 2jka h SER 367 N 9.50 0.00 -0.81 9.88 0.02 -1.87 -3.34 113.55 126.93 2jka h SER 367 Ca -0.26 0.00 -0.73 0.00 -0.84 0.00 0.00 61.79 59.97 2jka h SER 367 Cb 1.06 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.51 2jka h SER 367 CO 1.16 0.27 2.71 0.00 -1.14 0.00 0.00 176.83 179.82 2jka n ALA 368 N -2.24 6.34 -2.54 3.77 0.00 -1.26 -4.55 120.51 120.04 2jka n ALA 368 Ca 0.00 -4.01 -0.30 0.00 0.00 0.00 0.00 53.44 49.13 2jka n ALA 368 Cb 0.46 -3.08 -0.11 0.00 0.00 0.00 0.00 19.45 16.72 2jka n ALA 368 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jka s ASN 369 N 1.32 4.20 0.27 0.00 4.22 -1.25 -4.43 114.94 119.26 2jka s ASN 369 Ca 0.52 -0.38 -0.04 0.00 -2.14 0.00 0.00 52.86 50.81 2jka s ASN 369 Cb 0.15 -0.77 0.54 0.00 1.28 0.00 0.00 41.25 42.45 2jka s ASN 369 CO -0.06 0.21 1.61 0.74 -2.04 0.00 0.00 177.10 177.57 2jka h THR 370 N 3.56 0.22 -0.31 0.54 2.02 -1.28 0.13 112.91 117.80 2jka h THR 370 Ca -0.49 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 66.62 2jka h THR 370 Cb 1.16 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2jka h THR 370 CO 0.50 0.01 0.01 0.00 0.37 0.00 0.00 175.52 176.42 2jka h ALA 371 N 1.81 0.41 -0.28 6.16 0.00 -1.96 0.37 119.26 125.78 2jka h ALA 371 Ca 0.48 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2jka h ALA 371 Cb 0.89 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2jka h ALA 371 CO -0.76 0.15 0.05 -0.97 0.00 0.00 0.00 179.25 177.72 2jka h ASN 372 N 0.34 0.44 -0.76 0.00 -1.24 -1.66 -2.37 115.58 110.33 2jka h ASN 372 Ca 0.09 -0.25 0.05 0.00 0.71 0.00 0.00 56.30 56.90 2jka h ASN 372 Cb 0.41 -0.12 -0.05 0.00 0.73 0.00 0.00 38.32 39.29 2jka h ASN 372 CO 0.01 0.58 0.46 0.58 -1.29 0.00 0.00 177.43 177.77 2jka h VAL 373 N 0.28 1.04 -0.68 2.57 2.07 -0.61 -2.09 116.25 118.82 2jka h VAL 373 Ca 0.09 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 2jka h VAL 373 Cb 0.32 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 2jka h VAL 373 CO 0.00 0.16 0.29 0.11 0.02 0.00 0.00 177.57 178.15 2jka h LYS 374 N 0.86 0.99 -0.93 1.57 1.57 -0.77 -0.31 116.57 119.55 2jka h LYS 374 Ca 0.33 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.98 2jka h LYS 374 Cb 0.13 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.22 2jka h LYS 374 CO -0.16 0.79 0.61 0.00 -0.57 0.00 0.00 179.45 180.13 2jka h ARG 375 N 0.98 1.19 -0.37 3.15 3.08 -0.86 0.82 114.38 122.36 2jka h ARG 375 Ca 0.23 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 2jka h ARG 375 Cb 0.16 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 2jka h ARG 375 CO -0.02 0.78 0.19 1.88 -1.07 0.00 0.00 179.97 181.73 2jka h TYR 376 N 1.22 0.52 -0.62 3.04 -1.99 -0.74 -2.11 116.97 116.29 2jka h TYR 376 Ca 0.36 -0.02 0.07 0.00 2.00 0.00 0.00 58.73 61.14 2jka h TYR 376 Cb -0.07 -0.16 -0.06 0.00 2.00 0.00 0.00 36.73 38.43 2jka h TYR 376 CO -0.01 0.43 0.31 0.82 -0.00 0.00 0.00 178.16 179.70 2jka h ILE 377 N 0.47 0.89 -0.54 -2.88 2.04 -0.58 0.07 117.51 116.98 2jka h ILE 377 Ca 0.13 -0.19 0.09 0.00 1.00 0.00 0.00 64.86 65.89 2jka h ILE 377 Cb 0.09 0.29 -0.07 0.00 -0.74 0.00 0.00 36.82 36.39 2jka h ILE 377 CO -0.02 0.10 0.16 0.44 0.00 0.00 0.00 178.15 178.83 2jka h ASP 378 N 0.56 0.10 -0.30 1.72 3.32 -0.55 -0.95 116.42 120.31 2jka h ASP 378 Ca 0.29 0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.33 2jka h ASP 378 Cb 0.25 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2jka h ASP 378 CO -0.22 0.08 -0.20 0.15 -1.72 0.00 0.00 179.24 177.32 2jka h PHE 379 N 0.31 0.79 -0.24 4.55 3.57 -0.76 -0.89 116.94 124.26 2jka h PHE 379 Ca 0.27 -0.21 0.02 0.00 3.53 0.00 0.00 57.97 61.58 2jka h PHE 379 Cb 0.35 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 2jka h PHE 379 CO -0.20 0.92 0.09 0.00 -2.23 0.00 0.00 178.31 176.90 2jka h ALA 380 N 0.74 0.28 -0.48 2.41 0.00 -0.77 -1.30 119.26 120.14 2jka h ALA 380 Ca 0.06 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2jka h ALA 380 Cb 0.74 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2jka h ALA 380 CO 0.05 -0.32 0.13 0.00 0.00 0.00 0.00 179.25 179.12 2jka h ALA 381 N 1.14 0.63 -0.82 0.00 0.00 -1.17 0.12 119.26 119.16 2jka h ALA 381 Ca 0.10 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.89 2jka h ALA 381 Cb 0.06 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 2jka h ALA 381 CO -0.10 0.30 0.53 0.00 0.00 0.00 0.00 179.25 179.99 2jka h ALA 382 N 0.99 1.64 -0.51 0.00 0.00 -0.91 -3.04 119.26 117.44 2jka h ALA 382 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2jka h ALA 382 Cb 0.30 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2jka h ALA 382 CO -0.00 0.22 0.00 0.72 0.00 0.00 0.00 179.25 180.19 2jka n HIS 383 N -4.49 1.09 -1.02 0.00 -0.00 -0.51 -4.95 115.22 105.34 2jka n HIS 383 Ca 0.13 -0.62 -0.01 0.00 -0.00 0.00 0.00 57.72 57.22 2jka n HIS 383 Cb 0.25 -0.18 -0.00 0.00 -0.00 0.00 0.00 29.99 30.05 2jka n HIS 383 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jka n GLY 384 N 0.71 0.44 3.80 -1.41 0.00 -0.87 -4.82 105.19 103.04 2jka n GLY 384 Ca 0.21 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 2jka n GLY 384 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jka s PHE 385 N -2.02 2.91 -0.06 1.61 0.08 0.37 -5.01 117.98 115.86 2jka s PHE 385 Ca 0.00 1.50 0.05 0.00 0.12 0.00 0.00 56.93 58.60 2jka s PHE 385 Cb 0.00 -3.00 -0.24 0.00 -0.57 0.00 0.00 43.02 39.21 2jka s PHE 385 CO 0.00 -1.34 0.60 -0.44 -0.10 0.00 0.00 175.22 173.94 2jka h ASP 386 N -0.22 0.16 -5.17 1.36 3.32 -1.25 -3.42 116.42 111.19 2jka h ASP 386 Ca -0.45 -0.34 -0.07 0.00 0.02 0.00 0.00 57.03 56.19 2jka h ASP 386 Cb 1.22 -0.05 -0.12 0.00 0.22 0.00 0.00 39.33 40.60 2jka h ASP 386 CO 0.56 1.30 -0.18 0.00 -1.72 0.00 0.00 179.24 179.20 2jka s ALA 387 N -2.59 -0.45 -0.10 3.45 0.00 -1.08 -1.73 121.76 119.25 2jka s ALA 387 Ca -0.10 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2jka s ALA 387 Cb 0.07 0.78 0.02 0.00 0.00 0.00 0.00 23.12 24.00 2jka s ALA 387 CO 0.81 -0.68 -0.08 0.08 0.00 0.00 0.00 175.76 175.89 2jka s VAL 388 N -3.90 1.02 0.24 0.00 1.01 -0.64 -2.26 120.40 115.87 2jka s VAL 388 Ca 0.11 -0.32 -0.23 0.00 0.00 0.00 0.00 61.98 61.54 2jka s VAL 388 Cb 0.02 -1.01 -0.09 0.00 0.00 0.00 0.00 36.38 35.30 2jka s VAL 388 CO -0.04 0.36 0.81 -0.22 0.00 0.00 0.00 175.10 176.00 2jka s LEU 389 N 1.42 4.42 -0.08 3.92 2.96 -0.06 -1.11 118.68 130.16 2jka s LEU 389 Ca -0.00 1.62 -0.00 0.00 -0.22 0.00 0.00 54.13 55.52 2jka s LEU 389 Cb -0.13 -3.63 0.02 0.00 0.50 0.00 0.00 46.19 42.95 2jka s LEU 389 CO -0.05 0.06 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.29 2jka s VAL 390 N -1.44 0.78 -0.04 1.68 1.01 -1.25 -0.96 120.40 120.19 2jka s VAL 390 Ca 0.43 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.24 2jka s VAL 390 Cb -0.19 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 2jka s VAL 390 CO 0.24 0.31 -0.02 -1.61 0.00 0.00 0.00 175.10 174.02 2jka s GLU 391 N 1.49 2.81 0.00 2.72 2.02 -1.06 -4.39 118.70 122.31 2jka s GLU 391 Ca -0.01 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.43 2jka s GLU 391 Cb -0.13 -2.68 0.00 0.00 0.10 0.00 0.00 34.13 31.42 2jka s GLU 391 CO -0.04 0.65 0.00 0.41 0.02 0.00 0.00 175.26 176.30 2jka n GLY 392 N 1.75 0.92 0.13 -1.39 0.00 -1.26 -4.50 105.19 100.84 2jka n GLY 392 Ca -0.16 -0.07 0.02 0.00 0.00 0.00 0.00 46.02 45.81 2jka n GLY 392 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2jka h TRP 393 N 0.00 0.00 -3.12 1.61 5.08 -1.84 -3.44 115.95 114.23 2jka h TRP 393 Ca 0.00 0.00 -0.63 0.00 1.08 0.00 0.00 58.89 59.34 2jka h TRP 393 Cb 0.00 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.07 2jka h TRP 393 CO 0.00 0.53 -0.60 0.54 -1.28 0.00 0.00 178.44 177.62 2jka s ASN 394 N -6.32 5.45 0.29 0.11 4.22 -1.26 -0.95 114.94 116.48 2jka s ASN 394 Ca 0.02 -0.06 -0.29 0.00 -2.14 0.00 0.00 52.86 50.40 2jka s ASN 394 Cb 0.08 -1.43 -0.13 0.00 1.28 0.00 0.00 41.25 41.04 2jka s ASN 394 CO 0.76 0.15 1.17 -0.62 -2.04 0.00 0.00 177.10 176.53 2jka n GLU 395 N 0.33 1.70 0.00 3.55 1.02 0.10 -3.98 120.64 123.36 2jka n GLU 395 Ca -0.09 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 2jka n GLU 395 Cb 0.52 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 2jka n GLU 395 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jka n GLY 396 N 1.25 1.51 0.29 0.62 0.00 -1.26 -4.52 105.19 103.08 2jka n GLY 396 Ca 0.09 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.28 2jka n GLY 396 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2jka h TRP 397 N 0.00 0.00 -0.82 1.61 4.06 -1.86 -2.34 115.95 116.61 2jka h TRP 397 Ca 0.00 0.00 0.24 0.00 2.06 0.00 0.00 58.89 61.19 2jka h TRP 397 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.13 2jka h TRP 397 CO 0.00 0.05 0.61 0.93 -3.56 0.00 0.00 178.44 176.46 2jka h GLU 398 N 0.00 0.00 -0.00 0.49 3.07 -1.90 -2.62 114.58 113.62 2jka h GLU 398 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2jka h GLU 398 Cb 0.26 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 2jka h GLU 398 CO 0.01 0.00 -0.12 -0.25 -1.40 0.00 0.00 179.01 177.25 2jka n ASP 399 N -4.21 2.21 0.23 1.42 8.00 -0.88 -4.81 116.55 118.51 2jka n ASP 399 Ca 0.17 -3.29 0.11 0.00 0.71 0.00 0.00 54.79 52.49 2jka n ASP 399 Cb 0.90 -0.46 0.48 0.00 -0.02 0.00 0.00 41.12 42.02 2jka n ASP 399 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 2jka h TRP 400 N 0.26 0.00 -3.60 1.24 5.08 -1.57 -3.42 115.95 113.93 2jka h TRP 400 Ca 0.00 0.00 -0.68 0.00 1.08 0.00 0.00 58.89 59.29 2jka h TRP 400 Cb 1.01 0.00 -0.27 0.00 -3.00 0.00 0.00 29.16 26.90 2jka h TRP 400 CO 0.19 0.18 -0.63 0.12 -1.28 0.00 0.00 178.44 177.02 2jka s PHE 401 N -3.62 3.15 -1.36 0.12 5.36 -1.26 -4.73 117.98 115.64 2jka s PHE 401 Ca 0.01 -1.04 0.00 0.00 -0.96 0.00 0.00 56.93 54.94 2jka s PHE 401 Cb 0.10 -2.25 0.00 0.00 -0.34 0.00 0.00 43.02 40.53 2jka s PHE 401 CO 0.62 -0.59 0.00 0.41 -1.46 0.00 0.00 175.22 174.20 2jka n GLY 402 N 4.85 1.32 0.58 13.12 0.00 -1.26 -4.87 105.19 118.93 2jka n GLY 402 Ca -0.14 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.58 2jka n GLY 402 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jka n ASN 403 N -0.09 2.01 -3.97 1.61 5.03 -1.26 -4.95 115.26 113.64 2jka n ASN 403 Ca -0.13 -1.53 -0.27 0.00 0.87 0.00 0.00 54.58 53.52 2jka n ASN 403 Cb 0.43 0.17 -0.02 0.00 -1.02 0.00 0.00 39.78 39.34 2jka n ASN 403 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2jka n SER 404 N 0.30 -1.11 -4.71 6.41 2.88 -1.26 -4.91 113.62 111.22 2jka n SER 404 Ca 0.13 -0.98 -0.39 0.00 -1.33 0.00 0.00 58.87 56.30 2jka n SER 404 Cb 0.46 -3.13 -0.06 0.00 -0.75 0.00 0.00 64.21 60.73 2jka n SER 404 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2jka s LYS 405 N -6.58 4.35 -0.02 -1.46 2.20 -1.26 -5.00 119.74 111.98 2jka s LYS 405 Ca 0.16 0.61 -0.02 0.00 -0.36 0.00 0.00 55.97 56.36 2jka s LYS 405 Cb -0.08 -3.46 -0.01 0.00 -1.51 0.00 0.00 37.83 32.76 2jka s LYS 405 CO 0.89 0.07 0.22 0.22 -0.36 0.00 0.00 175.35 176.39 2jka h ASP 406 N 6.85 -0.06 -0.32 1.43 3.58 -1.97 -3.35 116.42 122.56 2jka h ASP 406 Ca -0.40 0.00 -0.72 0.00 0.42 0.00 0.00 57.03 56.34 2jka h ASP 406 Cb 1.18 0.02 -0.06 0.00 1.72 0.00 0.00 39.33 42.18 2jka h ASP 406 CO 0.76 0.07 2.92 0.00 -2.88 0.00 0.00 179.24 180.11 2jka n TYR 407 N -2.87 3.32 -0.02 0.28 9.36 -1.26 -4.65 117.16 121.33 2jka n TYR 407 Ca -0.01 -2.94 -0.12 0.00 3.32 0.00 0.00 57.90 58.15 2jka n TYR 407 Cb 0.03 -2.41 -0.14 0.00 -0.63 0.00 0.00 39.34 36.19 2jka n TYR 407 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 2jka n VAL 408 N 4.56 1.65 -3.95 2.97 3.14 -1.26 -4.72 118.33 120.72 2jka n VAL 408 Ca 0.51 -0.76 -0.08 0.00 -2.96 0.00 0.00 64.34 61.04 2jka n VAL 408 Cb 0.37 -1.20 -0.09 0.00 -1.06 0.00 0.00 33.84 31.87 2jka n VAL 408 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2jka s PHE 409 N -2.58 0.28 -0.39 1.45 0.08 -1.26 -4.57 117.98 110.98 2jka s PHE 409 Ca -0.10 -0.71 0.05 0.00 0.12 0.00 0.00 56.93 56.30 2jka s PHE 409 Cb 0.08 -0.19 -0.03 0.00 -0.57 0.00 0.00 43.02 42.31 2jka s PHE 409 CO 0.81 -0.44 0.36 -0.40 -0.10 0.00 0.00 175.22 175.45 2jka n ASP 410 N 0.23 0.61 0.00 1.36 5.68 -1.26 -4.94 116.55 118.23 2jka n ASP 410 Ca -0.16 -0.80 0.00 0.00 -0.50 0.00 0.00 54.79 53.33 2jka n ASP 410 Cb 0.61 0.71 0.00 0.00 -1.14 0.00 0.00 41.12 41.30 2jka n ASP 410 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2jka n PHE 411 N -0.70 0.00 0.00 2.11 3.72 -1.26 -4.70 117.46 116.63 2jka n PHE 411 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2jka n PHE 411 Cb 0.10 -0.72 0.00 0.00 -0.94 0.00 0.00 39.48 37.92 2jka n PHE 411 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2jka n VAL 412 N -2.35 0.00 -3.41 -4.37 0.24 -1.26 -4.83 118.33 102.35 2jka n VAL 412 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 2jka n VAL 412 Cb 0.12 -0.02 -0.09 0.00 -1.47 0.00 0.00 33.84 32.38 2jka n VAL 412 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2jka s THR 413 N -0.63 5.18 0.56 3.34 2.01 -1.26 -5.05 115.64 119.79 2jka s THR 413 Ca 0.00 -0.30 -0.17 0.00 0.31 0.00 0.00 61.69 61.53 2jka s THR 413 Cb 0.00 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 2jka s THR 413 CO 0.00 -0.25 1.05 -2.16 -0.69 0.00 0.00 174.62 172.58 2jka s PRO 414 N 1.93 3.47 0.96 4.92 0.04 -1.26 -0.72 135.00 144.34 2jka s PRO 414 Ca 0.09 1.25 -0.12 0.00 0.04 0.00 0.00 61.00 62.27 2jka s PRO 414 Cb -0.17 -2.05 0.17 0.00 0.04 0.00 0.00 34.50 32.48 2jka s PRO 414 CO 0.12 -0.69 1.09 0.71 0.04 0.00 0.00 177.00 178.26 2jka s TYR 415 N -2.30 1.95 0.60 0.56 2.02 -0.12 -4.54 117.35 115.53 2jka s TYR 415 Ca 0.65 1.35 0.32 0.00 -0.37 0.00 0.00 57.07 59.01 2jka s TYR 415 Cb -0.16 -3.18 1.91 0.00 -0.40 0.00 0.00 41.96 40.13 2jka s TYR 415 CO 0.32 -2.82 2.27 -1.35 -1.57 0.00 0.00 175.55 172.39 2jka h PRO 416 N -1.86 0.00 -0.53 -1.71 0.11 -1.92 -2.63 132.00 123.45 2jka h PRO 416 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2jka h PRO 416 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2jka h PRO 416 CO 0.51 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.90 2jka n ASP 417 N -3.72 4.19 -4.01 -2.05 5.75 -1.26 -4.77 116.55 110.68 2jka n ASP 417 Ca -0.03 -2.41 -0.31 0.00 -0.01 0.00 0.00 54.79 52.03 2jka n ASP 417 Cb 0.09 -0.49 -0.15 0.00 -1.03 0.00 0.00 41.12 39.54 2jka n ASP 417 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2jka s PHE 418 N -1.76 3.50 -0.88 2.11 5.36 -0.99 -0.74 117.98 124.58 2jka s PHE 418 Ca 0.44 -2.77 -0.20 0.00 -0.96 0.00 0.00 56.93 53.44 2jka s PHE 418 Cb 0.28 -2.64 0.12 0.00 -0.34 0.00 0.00 43.02 40.44 2jka s PHE 418 CO 0.21 -0.93 1.10 0.34 -1.46 0.00 0.00 175.22 174.48 2jka s ASP 419 N 1.00 6.53 0.18 6.13 -1.08 -1.26 -4.61 116.67 123.57 2jka s ASP 419 Ca 0.07 -1.83 -0.15 0.00 -0.52 0.00 0.00 52.55 50.13 2jka s ASP 419 Cb -0.19 -2.41 0.17 0.00 -1.46 0.00 0.00 42.92 39.03 2jka s ASP 419 CO -0.09 -1.14 1.67 0.58 0.52 0.00 0.00 175.17 176.71 2jka h VAL 420 N 5.90 0.58 -0.36 1.11 2.07 -1.97 -0.82 116.25 122.76 2jka h VAL 420 Ca 0.07 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.50 2jka h VAL 420 Cb 1.03 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2jka h VAL 420 CO 1.13 0.01 -0.06 0.11 0.02 0.00 0.00 177.57 178.78 2jka h LYS 421 N 0.07 0.67 -0.65 1.57 1.57 -1.96 -1.22 116.57 116.63 2jka h LYS 421 Ca 0.24 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2jka h LYS 421 Cb 0.37 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 2jka h LYS 421 CO -0.44 0.82 0.15 1.49 -0.57 0.00 0.00 179.45 180.90 2jka h GLU 422 N 0.47 1.03 -0.40 3.15 4.57 -1.85 -1.53 114.58 120.02 2jka h GLU 422 Ca 0.09 -0.24 -0.14 0.00 -1.18 0.00 0.00 59.36 57.89 2jka h GLU 422 Cb 0.56 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 2jka h GLU 422 CO 0.03 0.92 -0.30 0.82 -1.18 0.00 0.00 179.01 179.30 2jka h ILE 423 N 0.98 1.28 0.27 2.32 2.04 -1.08 -1.70 117.51 121.61 2jka h ILE 423 Ca 0.21 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.61 2jka h ILE 423 Cb 0.36 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2jka h ILE 423 CO 0.00 0.49 -0.29 -0.74 0.00 0.00 0.00 178.15 177.61 2jka h HIS 424 N 0.73 -0.79 -0.55 1.37 2.76 -1.01 -0.43 115.15 117.23 2jka h HIS 424 Ca 0.08 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.19 2jka h HIS 424 Cb 0.88 0.31 -0.02 0.00 1.55 0.00 0.00 27.41 30.13 2jka h HIS 424 CO 0.06 -0.42 0.10 0.00 -1.30 0.00 0.00 177.93 176.38 2jka h ARG 425 N -0.60 0.87 -0.01 5.26 3.08 -1.20 0.03 114.38 121.82 2jka h ARG 425 Ca -0.01 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 2jka h ARG 425 Cb 0.56 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 2jka h ARG 425 CO -0.08 0.80 0.00 -0.92 -1.07 0.00 0.00 179.97 178.71 2jka h TYR 426 N 0.83 0.01 -0.15 3.04 3.20 -1.26 -1.23 116.97 121.42 2jka h TYR 426 Ca 0.18 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 2jka h TYR 426 Cb 0.35 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 2jka h TYR 426 CO 0.02 0.19 0.08 0.00 -1.64 0.00 0.00 178.16 176.81 2jka h ALA 427 N 0.82 0.20 -0.52 1.82 0.00 -0.72 -1.34 119.26 119.51 2jka h ALA 427 Ca 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2jka h ALA 427 Cb 0.18 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2jka h ALA 427 CO -0.00 -0.25 0.25 0.00 0.00 0.00 0.00 179.25 179.24 2jka h ALA 428 N 0.96 0.66 -0.62 0.00 0.00 -0.97 0.23 119.26 119.52 2jka h ALA 428 Ca 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2jka h ALA 428 Cb 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2jka h ALA 428 CO -0.01 -0.12 0.36 -0.09 0.00 0.00 0.00 179.25 179.39 2jka h ARG 429 N 0.47 0.84 -0.05 0.00 2.43 -0.91 -0.72 114.38 116.44 2jka h ARG 429 Ca 0.24 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2jka h ARG 429 Cb 0.18 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2jka h ARG 429 CO -0.19 0.60 0.00 1.63 -1.51 0.00 0.00 179.97 180.51 2jka n LYS 430 N -4.40 1.25 -1.75 0.20 4.76 -0.48 -4.90 118.16 112.84 2jka n LYS 430 Ca 0.06 -0.37 -0.07 0.00 -2.87 0.00 0.00 58.31 55.05 2jka n LYS 430 Cb 0.08 -1.33 -0.01 0.00 -1.84 0.00 0.00 35.03 31.93 2jka n LYS 430 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jka n GLY 431 N 0.91 0.43 3.46 0.72 0.00 -0.17 -4.76 105.19 105.77 2jka n GLY 431 Ca 0.15 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 2jka n GLY 431 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jka s ILE 432 N -2.32 3.05 -0.14 -0.61 -1.09 0.62 -4.91 121.20 115.80 2jka s ILE 432 Ca 0.00 -0.72 -0.10 0.00 -2.23 0.00 0.00 60.65 57.61 2jka s ILE 432 Cb 0.00 -2.21 -0.05 0.00 -1.58 0.00 0.00 42.46 38.63 2jka s ILE 432 CO 0.00 0.58 0.18 -0.54 -1.23 0.00 0.00 174.94 173.93 2jka s LYS 433 N -0.53 3.81 0.14 2.79 -0.14 -0.71 -3.25 119.74 121.86 2jka s LYS 433 Ca 0.07 -0.07 -0.29 0.00 -1.36 0.00 0.00 55.97 54.32 2jka s LYS 433 Cb -0.12 -3.29 -0.07 0.00 -1.68 0.00 0.00 37.83 32.68 2jka s LYS 433 CO 0.01 0.56 0.91 -1.64 -0.76 0.00 0.00 175.35 174.44 2jka s MET 434 N -0.43 4.70 -0.22 1.68 -1.94 -1.26 -1.62 119.30 120.20 2jka s MET 434 Ca 0.14 1.39 -0.13 0.00 -1.71 0.00 0.00 55.69 55.37 2jka s MET 434 Cb -0.12 -3.34 -0.04 0.00 2.01 0.00 0.00 34.83 33.33 2jka s MET 434 CO 0.03 0.33 0.29 1.41 -0.01 0.00 0.00 175.02 177.08 2jka s MET 435 N -0.41 4.12 0.54 2.03 1.75 -0.26 -4.35 119.30 122.72 2jka s MET 435 Ca 0.43 -0.01 -0.18 0.00 -1.25 0.00 0.00 55.69 54.67 2jka s MET 435 Cb -0.24 -3.54 -0.06 0.00 2.84 0.00 0.00 34.83 33.84 2jka s MET 435 CO 0.29 0.00 1.08 1.41 -0.65 0.00 0.00 175.02 177.15 2jka s MET 436 N 1.20 3.46 -0.18 4.11 0.00 0.10 -3.78 119.30 124.22 2jka s MET 436 Ca 0.14 1.40 0.01 0.00 0.00 0.00 0.00 55.69 57.24 2jka s MET 436 Cb -0.14 -2.04 0.02 0.00 0.00 0.00 0.00 34.83 32.67 2jka s MET 436 CO 0.06 -0.72 -0.18 -1.58 0.00 0.00 0.00 175.02 172.61 2jka s HIS 437 N -2.06 2.63 -0.73 4.11 2.46 -1.26 -0.71 115.29 119.73 2jka s HIS 437 Ca 0.68 -1.57 0.04 0.00 0.47 0.00 0.00 55.06 54.68 2jka s HIS 437 Cb -0.19 -1.83 0.25 0.00 -0.13 0.00 0.00 32.58 30.69 2jka s HIS 437 CO 0.28 -0.78 0.86 0.72 -2.47 0.00 0.00 174.74 173.35 2jka n HIS 438 N 4.65 3.42 -2.04 3.88 8.25 0.66 -4.96 115.22 129.08 2jka n HIS 438 Ca -0.19 -3.90 -0.42 0.00 -0.26 0.00 0.00 57.72 52.95 2jka n HIS 438 Cb 0.50 -0.70 -0.03 0.00 1.12 0.00 0.00 29.99 30.87 2jka n HIS 438 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2jka s GLU 439 N -2.44 4.27 -0.00 -0.41 2.56 -1.26 -1.86 118.70 119.56 2jka s GLU 439 Ca 0.37 2.23 0.22 0.00 0.00 0.00 0.00 54.97 57.79 2jka s GLU 439 Cb 0.11 -3.19 -0.21 0.00 2.00 0.00 0.00 34.13 32.85 2jka s GLU 439 CO -0.01 -0.51 0.80 0.25 -0.56 0.00 0.00 175.26 175.23 2jka n THR 440 N 3.78 0.03 -3.78 -1.70 -2.24 -0.41 -4.86 114.28 105.10 2jka n THR 440 Ca 0.12 -0.19 -0.29 0.00 -2.27 0.00 0.00 64.05 61.42 2jka n THR 440 Cb 0.40 0.55 0.02 0.00 -2.10 0.00 0.00 70.33 69.20 2jka n THR 440 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2jka n SER 441 N -1.81 -4.61 -1.11 3.42 2.88 -1.26 -1.91 113.62 109.22 2jka n SER 441 Ca 0.01 -0.69 -0.14 0.00 -1.33 0.00 0.00 58.87 56.71 2jka n SER 441 Cb 0.42 -3.71 -0.06 0.00 -0.75 0.00 0.00 64.21 60.11 2jka n SER 441 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jka n ALA 442 N -4.37 -0.22 -3.13 -1.46 0.00 -1.16 -4.65 120.51 105.51 2jka n ALA 442 Ca 0.03 0.23 -0.45 0.00 0.00 0.00 0.00 53.44 53.25 2jka n ALA 442 Cb 0.53 -1.81 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 2jka n ALA 442 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jka s SER 443 N -2.59 6.52 -0.04 0.00 0.15 -0.80 -0.11 113.70 116.83 2jka s SER 443 Ca 0.00 -2.07 -0.07 0.00 0.70 0.00 0.00 55.95 54.50 2jka s SER 443 Cb 0.00 -2.30 -0.29 0.00 -1.71 0.00 0.00 66.02 61.72 2jka s SER 443 CO 0.00 -0.90 0.68 0.58 1.20 0.00 0.00 173.24 174.80 2jka h VAL 444 N 5.50 0.95 -0.66 4.45 2.07 -0.38 -2.19 116.25 125.98 2jka h VAL 444 Ca -0.01 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 64.93 2jka h VAL 444 Cb 1.05 2.72 -0.03 0.00 -1.52 0.00 0.00 31.29 33.51 2jka h VAL 444 CO 0.98 0.84 0.42 -0.09 0.02 0.00 0.00 177.57 179.74 2jka h ARG 445 N 0.09 0.89 -0.69 1.57 2.43 -1.90 -0.99 114.38 115.78 2jka h ARG 445 Ca -0.32 -0.07 0.08 0.00 -0.81 0.00 0.00 59.98 58.85 2jka h ARG 445 Cb 2.07 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 31.36 2jka h ARG 445 CO 0.16 0.61 0.36 -0.97 -1.51 0.00 0.00 179.97 178.62 2jka h ASN 446 N 0.90 0.50 -0.42 -3.80 -1.24 -1.83 0.18 115.58 109.86 2jka h ASN 446 Ca 0.24 0.05 -0.03 0.00 0.71 0.00 0.00 56.30 57.27 2jka h ASN 446 Cb -0.06 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 38.92 2jka h ASN 446 CO -0.05 0.30 0.16 0.22 -1.29 0.00 0.00 177.43 176.78 2jka h TYR 447 N 0.64 0.64 -0.81 0.67 3.20 -1.00 -2.61 116.97 117.70 2jka h TYR 447 Ca 0.32 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 2jka h TYR 447 Cb 0.28 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 2jka h TYR 447 CO -0.09 0.57 0.48 0.93 -1.64 0.00 0.00 178.16 178.40 2jka h GLU 448 N 0.54 1.10 -0.27 1.82 5.08 -0.58 -0.32 114.58 121.95 2jka h GLU 448 Ca 0.14 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2jka h GLU 448 Cb 0.20 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2jka h GLU 448 CO -0.01 0.78 0.10 0.00 -1.00 0.00 0.00 179.01 178.88 2jka h ARG 449 N 1.11 0.37 -0.07 2.33 3.08 -0.86 -2.59 114.38 117.75 2jka h ARG 449 Ca 0.29 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2jka h ARG 449 Cb -0.03 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.95 2jka h ARG 449 CO -0.05 0.32 0.00 0.72 -1.07 0.00 0.00 179.97 179.89 2jka n HIS 450 N -4.42 0.07 -0.04 3.04 8.25 -0.58 -4.70 115.22 116.85 2jka n HIS 450 Ca 0.01 -0.04 -0.14 0.00 -0.26 0.00 0.00 57.72 57.29 2jka n HIS 450 Cb 0.13 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.16 2jka n HIS 450 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 2jka h MET 451 N 3.46 0.34 -0.43 -0.41 -1.53 -0.68 0.36 114.93 116.04 2jka h MET 451 Ca 0.00 -0.23 -0.01 0.00 -3.44 0.00 0.00 59.70 56.02 2jka h MET 451 Cb 0.74 0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.80 2jka h MET 451 CO 0.00 0.83 0.21 -0.44 0.14 0.00 0.00 176.91 177.65 2jka h ASP 452 N -0.11 0.56 -0.78 1.39 3.32 -1.84 0.10 116.42 119.06 2jka h ASP 452 Ca -0.00 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 56.97 2jka h ASP 452 Cb 0.83 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.19 2jka h ASP 452 CO 0.05 0.52 0.49 0.11 -1.72 0.00 0.00 179.24 178.69 2jka h LYS 453 N 0.56 0.91 -0.49 3.56 1.79 -1.84 0.95 116.57 122.01 2jka h LYS 453 Ca 0.15 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.50 2jka h LYS 453 Cb 0.10 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.53 2jka h LYS 453 CO -0.02 0.60 0.04 0.00 -1.08 0.00 0.00 179.45 178.99 2jka h ALA 454 N 1.35 0.66 -0.47 3.86 0.00 0.26 -0.64 119.26 124.27 2jka h ALA 454 Ca 0.32 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2jka h ALA 454 Cb 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2jka h ALA 454 CO -0.13 0.43 -0.20 1.88 0.00 0.00 0.00 179.25 181.23 2jka h TYR 455 N 0.71 1.11 -0.76 0.00 0.05 -0.55 -1.16 116.97 116.38 2jka h TYR 455 Ca 0.14 -0.27 -0.02 0.00 0.05 0.00 0.00 58.73 58.64 2jka h TYR 455 Cb 0.46 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 37.91 2jka h TYR 455 CO 0.03 1.09 0.40 0.37 -1.05 0.00 0.00 178.16 179.00 2jka h GLN 456 N 0.82 1.07 -0.40 4.88 5.75 -0.72 -0.20 115.11 126.31 2jka h GLN 456 Ca 0.11 -0.14 0.04 0.00 -0.15 0.00 0.00 58.65 58.51 2jka h GLN 456 Cb 0.78 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 29.09 2jka h GLN 456 CO 0.06 0.81 0.18 0.35 -2.65 0.00 0.00 178.83 177.58 2jka h PHE 457 N 1.05 0.32 -0.22 3.99 3.57 -0.92 0.30 116.94 125.03 2jka h PHE 457 Ca 0.26 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.83 2jka h PHE 457 Cb 0.06 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 2jka h PHE 457 CO 0.00 0.16 -0.07 0.52 -2.23 0.00 0.00 178.31 176.69 2jka h MET 458 N 0.37 -0.02 -0.60 1.11 2.86 -0.75 -1.47 114.93 116.42 2jka h MET 458 Ca 0.18 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 2jka h MET 458 Cb 0.11 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 2jka h MET 458 CO -0.14 -0.02 0.24 0.00 1.06 0.00 0.00 176.91 178.05 2jka h ALA 459 N 1.18 1.31 0.00 6.32 0.00 -0.31 -0.74 119.26 127.02 2jka h ALA 459 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jka h ALA 459 Cb 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2jka h ALA 459 CO -0.24 0.52 0.00 -0.44 0.00 0.00 0.00 179.25 179.09 2jka h ASP 460 N 0.85 0.00 0.00 0.00 3.32 0.10 -3.27 116.42 117.42 2jka h ASP 460 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2jka h ASP 460 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2jka h ASP 460 CO -0.02 0.00 -0.04 0.59 -1.72 0.00 0.00 179.24 178.05 2jka n ASN 461 N -2.48 1.92 -0.14 6.45 4.13 -0.60 -5.00 115.26 119.54 2jka n ASN 461 Ca 0.03 -2.56 -0.02 0.00 1.68 0.00 0.00 54.58 53.71 2jka n ASN 461 Cb 0.33 -0.26 -0.01 0.00 -1.54 0.00 0.00 39.78 38.31 2jka n ASN 461 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jka n GLY 462 N -0.96 0.52 3.71 7.41 0.00 -0.74 -4.82 105.19 110.31 2jka n GLY 462 Ca 0.09 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 2jka n GLY 462 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jka s TYR 463 N -2.07 3.40 0.00 1.61 2.02 -0.38 -4.51 117.35 117.42 2jka s TYR 463 Ca 0.00 0.43 0.00 0.00 -0.37 0.00 0.00 57.07 57.13 2jka s TYR 463 Cb 0.00 -2.29 0.00 0.00 -0.40 0.00 0.00 41.96 39.27 2jka s TYR 463 CO 0.00 0.18 0.90 0.27 -1.57 0.00 0.00 175.55 175.33 2jka n ASN 464 N 3.84 1.68 -3.88 2.29 0.23 -1.26 -4.14 115.26 114.02 2jka n ASN 464 Ca -0.13 -1.81 -0.11 0.00 -0.53 0.00 0.00 54.58 52.00 2jka n ASN 464 Cb 0.52 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.10 2jka n ASN 464 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2jka s SER 465 N -0.81 0.01 -0.02 0.53 1.04 -1.26 -0.93 113.70 112.26 2jka s SER 465 Ca 0.00 -0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.36 2jka s SER 465 Cb 0.00 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.32 2jka s SER 465 CO 0.00 -0.22 -0.04 0.54 0.98 0.00 0.00 173.24 174.50 2jka s VAL 466 N -0.80 0.40 -0.38 5.02 0.11 0.12 -0.72 120.40 124.15 2jka s VAL 466 Ca -0.09 -0.15 -0.17 0.00 -2.93 0.00 0.00 61.98 58.64 2jka s VAL 466 Cb -0.05 -0.39 0.00 0.00 -1.53 0.00 0.00 36.38 34.41 2jka s VAL 466 CO 0.00 0.15 0.46 -0.75 -3.33 0.00 0.00 175.10 171.63 2jka s LYS 467 N 0.31 3.42 0.38 1.54 2.20 0.12 -0.64 119.74 127.06 2jka s LYS 467 Ca -0.03 -0.43 0.07 0.00 -0.36 0.00 0.00 55.97 55.22 2jka s LYS 467 Cb -0.07 -3.87 -0.00 0.00 -1.51 0.00 0.00 37.83 32.38 2jka s LYS 467 CO -0.00 -0.71 0.50 -1.54 -0.36 0.00 0.00 175.35 173.24 2jka s SER 468 N 1.79 5.67 0.03 1.43 1.04 -0.33 -0.25 113.70 123.09 2jka s SER 468 Ca 0.15 -0.38 -0.11 0.00 0.48 0.00 0.00 55.95 56.09 2jka s SER 468 Cb -0.16 -0.86 0.01 0.00 0.10 0.00 0.00 66.02 65.10 2jka s SER 468 CO 0.13 -0.61 0.22 -0.83 0.98 0.00 0.00 173.24 173.14 2jka s GLY 469 N -4.24 -0.01 -0.39 7.32 0.00 -0.78 -1.01 107.32 108.21 2jka s GLY 469 Ca 0.50 -0.15 0.12 0.00 0.00 0.00 0.00 44.72 45.18 2jka s GLY 469 CO 0.31 -0.33 0.79 -1.72 0.00 0.00 0.00 173.10 172.15 2jka n TYR 470 N 0.80 0.82 -2.75 1.90 4.01 -1.18 -1.28 117.16 119.48 2jka n TYR 470 Ca -0.19 -3.71 -0.42 0.00 -0.16 0.00 0.00 57.90 53.41 2jka n TYR 470 Cb 0.58 -0.42 -0.03 0.00 -0.31 0.00 0.00 39.34 39.17 2jka n TYR 470 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2jka s VAL 471 N -2.81 4.80 0.00 -0.72 1.01 -1.26 -4.40 120.40 117.01 2jka s VAL 471 Ca 0.40 1.91 0.00 0.00 0.00 0.00 0.00 61.98 64.29 2jka s VAL 471 Cb 0.36 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.48 2jka s VAL 471 CO -0.08 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.63 2jka n GLY 472 N 3.23 1.92 3.77 4.51 0.00 -1.26 -2.98 105.19 114.37 2jka n GLY 472 Ca 0.08 -2.15 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 2jka n GLY 472 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jka s ASN 473 N 0.00 6.48 0.36 1.61 0.02 -1.26 -4.74 114.94 117.40 2jka s ASN 473 Ca 0.00 2.37 -0.29 0.00 -1.02 0.00 0.00 52.86 53.93 2jka s ASN 473 Cb 0.00 -2.62 -0.11 0.00 0.02 0.00 0.00 41.25 38.54 2jka s ASN 473 CO 0.00 -0.71 1.53 -0.63 0.02 0.00 0.00 177.10 177.31 2jka s ILE 474 N -1.41 2.02 -0.18 0.60 -1.09 -1.26 -4.76 121.20 115.11 2jka s ILE 474 Ca 0.57 0.02 -0.01 0.00 -2.23 0.00 0.00 60.65 59.00 2jka s ILE 474 Cb -0.31 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 2jka s ILE 474 CO 0.39 0.00 -0.14 -0.63 -1.23 0.00 0.00 174.94 173.34 2jka s ILE 475 N -0.81 2.66 0.20 2.92 1.01 0.85 -3.38 121.20 124.64 2jka s ILE 475 Ca 0.56 -0.75 -0.32 0.00 0.00 0.00 0.00 60.65 60.14 2jka s ILE 475 Cb -0.47 -2.15 -0.11 0.00 0.01 0.00 0.00 42.46 39.74 2jka s ILE 475 CO 0.60 0.50 1.67 -2.16 0.00 0.00 0.00 174.94 175.54 2jka s PRO 476 N 1.15 4.15 0.14 2.79 0.04 -1.26 0.38 135.00 142.39 2jka s PRO 476 Ca 0.01 2.53 -0.30 0.00 0.04 0.00 0.00 61.00 63.28 2jka s PRO 476 Cb -0.14 -3.10 -0.07 0.00 0.04 0.00 0.00 34.50 31.23 2jka s PRO 476 CO -0.05 -0.70 1.24 1.03 0.04 0.00 0.00 177.00 178.56 2jka s ARG 477 N 1.09 4.44 0.00 4.56 0.52 -1.22 -2.94 118.95 125.40 2jka s ARG 477 Ca 0.73 1.90 0.00 0.00 -0.52 0.00 0.00 55.73 57.84 2jka s ARG 477 Cb -0.48 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 31.73 2jka s ARG 477 CO 0.32 -0.21 0.00 0.41 0.02 0.00 0.00 175.30 175.84 2jka n GLY 478 N 2.71 1.67 3.85 -3.53 0.00 -1.26 -5.04 105.19 103.59 2jka n GLY 478 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2jka n GLY 478 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jka s GLU 479 N -0.10 3.93 0.30 1.61 0.41 -1.15 -3.72 118.70 119.97 2jka s GLU 479 Ca 0.00 0.81 0.07 0.00 -0.41 0.00 0.00 54.97 55.44 2jka s GLU 479 Cb 0.00 -2.23 -0.03 0.00 -1.78 0.00 0.00 34.13 30.09 2jka s GLU 479 CO 0.00 -0.15 0.30 -1.01 -0.49 0.00 0.00 175.26 173.91 2jka s HIS 480 N -2.47 3.07 0.52 1.61 3.76 -1.26 -4.26 115.29 116.27 2jka s HIS 480 Ca 0.57 -0.19 0.17 0.00 -0.15 0.00 0.00 55.06 55.45 2jka s HIS 480 Cb -0.10 -1.68 1.30 0.00 1.11 0.00 0.00 32.58 33.21 2jka s HIS 480 CO 0.29 0.28 2.16 0.45 -0.85 0.00 0.00 174.74 177.07 2jka h HIS 481 N 1.25 0.00 -0.28 1.40 3.86 -1.74 -3.13 115.15 116.51 2jka h HIS 481 Ca -0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 2jka h HIS 481 Cb 1.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.72 2jka h HIS 481 CO 0.51 0.00 0.00 0.66 0.86 0.00 0.00 177.93 179.96 2jka n TYR 482 N -4.50 0.47 -1.39 2.45 4.01 -0.98 -4.48 117.16 112.75 2jka n TYR 482 Ca -0.03 -0.58 -0.29 0.00 -0.16 0.00 0.00 57.90 56.84 2jka n TYR 482 Cb 0.09 -0.08 0.16 0.00 -0.31 0.00 0.00 39.34 39.20 2jka n TYR 482 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2jka s GLY 483 N -1.21 1.57 0.34 2.72 0.00 -1.18 -1.79 107.32 107.78 2jka s GLY 483 Ca 0.24 -0.51 0.05 0.00 0.00 0.00 0.00 44.72 44.49 2jka s GLY 483 CO 0.12 0.09 1.94 -1.61 0.00 0.00 0.00 173.10 173.64 2jka h GLN 484 N -1.72 0.81 0.18 2.90 4.15 -1.82 -0.84 115.11 118.78 2jka h GLN 484 Ca -0.52 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 58.85 2jka h GLN 484 Cb 1.33 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 28.83 2jka h GLN 484 CO 0.59 0.54 -0.11 2.35 -1.93 0.00 0.00 178.83 180.26 2jka h TRP 485 N 0.83 -0.28 -0.19 3.99 2.91 -1.92 -2.08 115.95 119.22 2jka h TRP 485 Ca 0.35 -0.00 -0.14 0.00 1.13 0.00 0.00 58.89 60.23 2jka h TRP 485 Cb 0.28 0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 29.02 2jka h TRP 485 CO -0.00 -0.17 -0.46 0.52 -1.03 0.00 0.00 178.44 177.30 2jka h MET 486 N -0.28 0.49 -0.92 2.65 2.86 -1.77 -1.81 114.93 116.15 2jka h MET 486 Ca -0.02 -0.27 0.04 0.00 -2.06 0.00 0.00 59.70 57.40 2jka h MET 486 Cb 0.23 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.85 2jka h MET 486 CO 0.02 0.85 0.60 -0.91 1.06 0.00 0.00 176.91 178.53 2jka h ASN 487 N 0.39 0.98 0.30 1.22 2.35 -1.03 0.13 115.58 119.92 2jka h ASN 487 Ca 0.02 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2jka h ASN 487 Cb 0.96 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.11 2jka h ASN 487 CO 0.08 0.66 -0.14 -1.13 -1.65 0.00 0.00 177.43 175.25 2jka h ASN 488 N 1.13 -0.34 -0.24 5.81 -0.73 -1.20 -2.47 115.58 117.53 2jka h ASN 488 Ca 0.37 0.00 0.06 0.00 1.87 0.00 0.00 56.30 58.61 2jka h ASN 488 Cb 0.06 0.09 -0.07 0.00 0.27 0.00 0.00 38.32 38.66 2jka h ASN 488 CO -0.12 -0.23 -0.23 -0.74 -0.37 0.00 0.00 177.43 175.74 2jka h HIS 489 N -0.41 -0.62 -0.92 0.67 2.76 -0.32 0.01 115.15 116.32 2jka h HIS 489 Ca -0.04 0.04 0.04 0.00 -2.20 0.00 0.00 60.37 58.20 2jka h HIS 489 Cb 0.31 0.31 -0.05 0.00 1.55 0.00 0.00 27.41 29.53 2jka h HIS 489 CO -0.05 -0.31 0.60 1.88 -1.30 0.00 0.00 177.93 178.75 2jka h TYR 490 N -0.24 1.12 -0.15 5.26 0.05 -0.74 -0.83 116.97 121.45 2jka h TYR 490 Ca 0.14 0.03 -0.16 0.00 0.05 0.00 0.00 58.73 58.79 2jka h TYR 490 Cb 0.45 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 2jka h TYR 490 CO -0.39 0.65 -0.58 1.25 -1.05 0.00 0.00 178.16 178.04 2jka h LEU 491 N 1.16 0.55 -0.72 3.88 5.85 -0.97 -2.31 115.31 122.75 2jka h LEU 491 Ca 0.37 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.81 2jka h LEU 491 Cb 0.01 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 2jka h LEU 491 CO -0.12 1.01 0.46 0.22 -0.34 0.00 0.00 178.44 179.67 2jka h TYR 492 N 0.37 0.87 -0.61 1.25 3.20 -0.49 0.25 116.97 121.81 2jka h TYR 492 Ca 0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 2jka h TYR 492 Cb 1.12 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 39.07 2jka h TYR 492 CO 0.04 0.51 0.21 0.00 -1.64 0.00 0.00 178.16 177.29 2jka h ALA 493 N 1.29 1.22 -0.17 1.82 0.00 -0.97 -0.68 119.26 121.76 2jka h ALA 493 Ca 0.28 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2jka h ALA 493 Cb -0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2jka h ALA 493 CO -0.09 0.56 -0.10 0.28 0.00 0.00 0.00 179.25 179.89 2jka h VAL 494 N 0.89 1.32 -0.67 0.00 2.07 -0.74 -1.04 116.25 118.08 2jka h VAL 494 Ca 0.20 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.48 2jka h VAL 494 Cb 0.23 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2jka h VAL 494 CO -0.01 0.35 0.17 0.11 0.02 0.00 0.00 177.57 178.21 2jka h LYS 495 N 0.05 1.06 -0.43 1.57 1.57 -0.37 -1.14 116.57 118.89 2jka h LYS 495 Ca 0.04 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.52 2jka h LYS 495 Cb 0.60 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2jka h LYS 495 CO 0.03 0.94 0.08 -0.22 -0.57 0.00 0.00 179.45 179.71 2jka h LYS 496 N 0.99 0.70 -0.86 3.15 3.64 -1.19 -2.64 116.57 120.37 2jka h LYS 496 Ca 0.21 -0.18 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 2jka h LYS 496 Cb 0.35 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 2jka h LYS 496 CO 0.00 0.73 0.56 0.00 -2.27 0.00 0.00 179.45 178.47 2jka h ALA 497 N 0.94 1.52 -0.29 5.00 0.00 -0.94 -2.07 119.26 123.43 2jka h ALA 497 Ca 0.13 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2jka h ALA 497 Cb 0.36 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2jka h ALA 497 CO 0.01 0.36 -0.11 0.00 0.00 0.00 0.00 179.25 179.51 2jka h ALA 498 N 1.52 1.28 0.00 0.00 0.00 -0.87 0.61 119.26 121.81 2jka h ALA 498 Ca 0.36 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2jka h ALA 498 Cb 0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2jka h ALA 498 CO -0.12 0.48 -0.10 -0.44 0.00 0.00 0.00 179.25 179.07 2jka h ASP 499 N 0.45 0.00 -0.68 0.00 3.32 -1.07 -1.67 116.42 116.77 2jka h ASP 499 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2jka h ASP 499 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2jka h ASP 499 CO 0.03 0.10 0.00 -1.22 -1.72 0.00 0.00 179.24 176.42 2jka n TYR 500 N -3.86 0.98 -3.80 4.55 4.01 -0.28 -4.96 117.16 113.80 2jka n TYR 500 Ca -0.02 -0.47 -0.25 0.00 -0.16 0.00 0.00 57.90 57.00 2jka n TYR 500 Cb 0.19 -0.03 0.02 0.00 -0.31 0.00 0.00 39.34 39.22 2jka n TYR 500 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2jka n LYS 501 N 1.44 -4.94 -4.92 -0.72 4.76 -0.63 -4.99 118.16 108.17 2jka n LYS 501 Ca 0.23 0.59 -0.33 0.00 -2.87 0.00 0.00 58.31 55.93 2jka n LYS 501 Cb 0.61 -5.21 -0.13 0.00 -1.84 0.00 0.00 35.03 28.45 2jka n LYS 501 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2jka s ILE 502 N -3.58 2.96 0.04 -0.18 1.01 0.05 -4.90 121.20 116.61 2jka s ILE 502 Ca 0.22 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 60.05 2jka s ILE 502 Cb -0.11 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 2jka s ILE 502 CO 0.83 0.58 0.31 -0.04 0.00 0.00 0.00 174.94 176.62 2jka s MET 503 N -0.61 3.62 -0.05 2.79 -1.94 -0.11 -4.09 119.30 118.92 2jka s MET 503 Ca 0.09 -0.03 0.05 0.00 -1.71 0.00 0.00 55.69 54.08 2jka s MET 503 Cb -0.11 -3.03 -0.00 0.00 2.01 0.00 0.00 34.83 33.69 2jka s MET 503 CO 0.01 0.60 -0.19 0.08 -0.01 0.00 0.00 175.02 175.51 2jka s VAL 504 N -1.37 1.60 -0.30 -6.03 1.01 0.54 -0.71 120.40 115.13 2jka s VAL 504 Ca 0.31 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.49 2jka s VAL 504 Cb -0.13 -1.37 0.09 0.00 0.00 0.00 0.00 36.38 34.97 2jka s VAL 504 CO 0.18 0.45 0.05 0.21 0.00 0.00 0.00 175.10 176.00 2jka s ASN 505 N 0.00 4.25 -0.40 3.32 2.47 0.18 -1.65 114.94 123.11 2jka s ASN 505 Ca -0.04 -1.72 -0.13 0.00 0.42 0.00 0.00 52.86 51.38 2jka s ASN 505 Cb -0.12 -1.20 0.03 0.00 -1.45 0.00 0.00 41.25 38.51 2jka s ASN 505 CO 0.03 -0.37 0.26 0.00 -3.72 0.00 0.00 177.10 173.30 2jka s ALA 506 N 1.32 3.38 0.54 1.71 0.00 -0.80 -1.18 121.76 126.73 2jka s ALA 506 Ca 0.07 -1.76 -0.17 0.00 0.00 0.00 0.00 51.96 50.09 2jka s ALA 506 Cb -0.18 -2.75 -0.06 0.00 0.00 0.00 0.00 23.12 20.13 2jka s ALA 506 CO -0.15 -1.46 1.04 -1.01 0.00 0.00 0.00 175.76 174.19 2jka s HIS 507 N 1.61 3.06 0.00 0.00 3.76 -0.18 -3.16 115.29 120.37 2jka s HIS 507 Ca 0.03 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.47 2jka s HIS 507 Cb -0.20 -3.00 0.00 0.00 1.11 0.00 0.00 32.58 30.50 2jka s HIS 507 CO 0.08 -0.90 0.00 0.39 -0.85 0.00 0.00 174.74 173.46 2jka n GLU 508 N -1.59 0.00 -1.45 1.40 4.71 -1.26 -3.13 120.64 119.31 2jka n GLU 508 Ca 0.09 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.94 2jka n GLU 508 Cb 0.53 -4.04 0.12 0.00 -1.01 0.00 0.00 31.44 27.03 2jka n GLU 508 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2jka s ALA 509 N -1.59 1.87 0.26 0.62 0.00 -1.24 -4.84 121.76 116.84 2jka s ALA 509 Ca 0.00 -0.28 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 2jka s ALA 509 Cb 0.00 -3.10 -0.14 0.00 0.00 0.00 0.00 23.12 19.88 2jka s ALA 509 CO 0.00 -2.10 1.20 2.41 0.00 0.00 0.00 175.76 177.27 2jka n THR 510 N -3.67 1.47 -2.06 0.00 -1.04 -1.26 -4.60 114.28 103.11 2jka n THR 510 Ca 0.07 -0.37 -0.37 0.00 -2.04 0.00 0.00 64.05 61.34 2jka n THR 510 Cb 0.57 -1.18 0.01 0.00 -1.82 0.00 0.00 70.33 67.91 2jka n THR 510 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jka s ARG 511 N -1.03 3.46 0.69 -2.82 1.04 -1.26 -4.94 118.95 114.09 2jka s ARG 511 Ca 0.64 1.96 -0.12 0.00 -1.04 0.00 0.00 55.73 57.17 2jka s ARG 511 Cb -0.70 -2.32 0.01 0.00 -2.04 0.00 0.00 34.95 29.91 2jka s ARG 511 CO 0.56 -0.85 1.07 -1.25 -0.04 0.00 0.00 175.30 174.79 2jka s PRO 512 N -2.82 2.87 0.00 3.89 0.04 -1.26 -4.99 135.00 132.72 2jka s PRO 512 Ca 0.68 1.04 0.17 0.00 0.04 0.00 0.00 61.00 62.93 2jka s PRO 512 Cb -0.33 -1.98 0.29 0.00 0.04 0.00 0.00 34.50 32.51 2jka s PRO 512 CO 0.40 -1.16 1.10 0.25 0.04 0.00 0.00 177.00 177.63 2jka n THR 513 N -3.03 0.00 -0.49 1.26 -2.24 -1.21 -4.44 114.28 104.12 2jka n THR 513 Ca 0.08 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 2jka n THR 513 Cb 0.53 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 2jka n THR 513 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jka n GLY 514 N 0.33 0.75 0.30 3.38 0.00 0.12 -0.81 105.19 109.25 2jka n GLY 514 Ca 0.02 -0.07 0.19 0.00 0.00 0.00 0.00 46.02 46.16 2jka n GLY 514 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2jka h ILE 515 N 0.00 0.00 -0.56 -0.61 2.04 -1.93 -1.71 117.51 114.73 2jka h ILE 515 Ca 0.00 -0.33 0.15 0.00 1.00 0.00 0.00 64.86 65.68 2jka h ILE 515 Cb 0.00 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 2jka h ILE 515 CO 0.00 0.00 0.40 0.00 0.00 0.00 0.00 178.15 178.55 2jka h ARG 517 N 0.08 0.56 -0.11 0.00 2.43 -1.63 -2.01 114.38 113.71 2jka h ARG 517 Ca 0.27 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.26 2jka h ARG 517 Cb 0.96 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.39 2jka h ARG 517 CO -0.02 0.37 -0.52 1.15 -1.51 0.00 0.00 179.97 179.44 2jka h THR 518 N 0.58 1.36 -3.11 0.20 2.02 -0.83 -2.73 112.91 110.40 2jka h THR 518 Ca 0.25 -1.83 -0.62 0.00 0.77 0.00 0.00 66.41 64.98 2jka h THR 518 Cb 0.13 2.16 -0.41 0.00 -1.74 0.00 0.00 68.15 68.30 2jka h THR 518 CO -0.16 0.55 -0.68 -0.31 0.37 0.00 0.00 175.52 175.29 2jka s TYR 519 N -3.70 2.65 -2.00 3.16 2.02 0.21 0.03 117.35 119.72 2jka s TYR 519 Ca -0.13 -2.86 0.18 0.00 -0.37 0.00 0.00 57.07 53.89 2jka s TYR 519 Cb 0.06 -2.31 1.06 0.00 -0.40 0.00 0.00 41.96 40.36 2jka s TYR 519 CO 0.83 -0.73 1.48 -0.35 -1.57 0.00 0.00 175.55 175.22 2jka n PRO 520 N 3.05 0.66 0.00 -1.71 -0.04 -0.77 -1.97 135.00 134.22 2jka n PRO 520 Ca 0.11 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.70 2jka n PRO 520 Cb 0.35 -1.42 0.64 0.00 -0.04 0.00 0.00 33.50 33.02 2jka n PRO 520 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2jka n ASN 521 N -0.92 0.00 -4.57 3.54 6.94 -1.26 -4.33 115.26 114.66 2jka n ASN 521 Ca 0.13 0.31 -0.41 0.00 -0.02 0.00 0.00 54.58 54.59 2jka n ASN 521 Cb 0.06 -0.43 -0.02 0.00 -2.36 0.00 0.00 39.78 37.02 2jka n ASN 521 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2jka s LEU 522 N -2.87 3.57 0.00 -4.53 2.96 -0.83 -0.34 118.68 116.64 2jka s LEU 522 Ca 0.18 -1.68 0.25 0.00 -0.22 0.00 0.00 54.13 52.65 2jka s LEU 522 Cb 0.19 -2.57 0.46 0.00 0.50 0.00 0.00 46.19 44.77 2jka s LEU 522 CO 0.49 -1.46 1.38 2.30 -1.32 0.00 0.00 176.35 177.74 2jka n ILE 523 N 6.79 0.00 -3.62 6.68 -5.35 -0.66 -4.75 119.36 118.46 2jka n ILE 523 Ca 0.37 -0.18 -0.03 0.00 -0.27 0.00 0.00 62.75 62.64 2jka n ILE 523 Cb 0.50 0.74 -0.01 0.00 -1.74 0.00 0.00 39.64 39.12 2jka n ILE 523 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2jka s GLY 524 N -2.48 -0.35 0.17 3.28 0.00 -1.17 -4.45 107.32 102.32 2jka s GLY 524 Ca 0.22 0.90 -0.01 0.00 0.00 0.00 0.00 44.72 45.84 2jka s GLY 524 CO 0.53 0.25 0.08 -1.31 0.00 0.00 0.00 173.10 172.66 2jka s ASN 525 N -2.66 0.38 0.00 1.64 0.01 -1.22 -1.90 114.94 111.19 2jka s ASN 525 Ca 0.11 -1.29 0.00 0.00 -0.71 0.00 0.00 52.86 50.97 2jka s ASN 525 Cb 0.01 0.30 0.00 0.00 0.41 0.00 0.00 41.25 41.97 2jka s ASN 525 CO -0.04 -0.76 0.00 1.21 -1.51 0.00 0.00 177.10 176.00 2jka n GLU 526 N -0.20 0.00 -3.17 -0.60 2.13 -1.19 -0.70 120.64 116.91 2jka n GLU 526 Ca -0.02 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.58 2jka n GLU 526 Cb 0.65 -0.09 0.05 0.00 0.27 0.00 0.00 31.44 32.32 2jka n GLU 526 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2jka n SER 527 N -0.72 -6.04 -3.75 4.31 7.64 -1.26 -4.77 113.62 109.04 2jka n SER 527 Ca 0.00 -0.35 0.04 0.00 1.01 0.00 0.00 58.87 59.57 2jka n SER 527 Cb 0.00 -4.79 0.00 0.00 -1.01 0.00 0.00 64.21 58.41 2jka n SER 527 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jka s ALA 528 N -3.21 -2.62 -0.39 -0.43 0.00 -1.26 -4.67 121.76 109.18 2jka s ALA 528 Ca 0.38 0.62 -0.29 0.00 0.00 0.00 0.00 51.96 52.67 2jka s ALA 528 Cb -0.17 0.53 0.02 0.00 0.00 0.00 0.00 23.12 23.51 2jka s ALA 528 CO 0.47 -1.11 1.11 0.50 0.00 0.00 0.00 175.76 176.73 2jka s ARG 529 N -2.03 3.90 0.00 0.00 3.52 -1.21 -4.57 118.95 118.56 2jka s ARG 529 Ca 0.22 0.84 0.00 0.00 -0.13 0.00 0.00 55.73 56.66 2jka s ARG 529 Cb 0.04 -3.82 0.00 0.00 -1.56 0.00 0.00 34.95 29.61 2jka s ARG 529 CO -0.05 -1.14 0.00 0.41 -0.81 0.00 0.00 175.30 173.71 2jka n GLY 530 N 4.34 1.81 0.19 8.12 0.00 -1.26 -4.99 105.19 113.41 2jka n GLY 530 Ca 0.12 -2.09 0.02 0.00 0.00 0.00 0.00 46.02 44.07 2jka n GLY 530 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2jka h THR 531 N -0.03 1.26 -1.09 2.61 2.02 -1.78 -2.26 112.91 113.64 2jka h THR 531 Ca 0.00 -1.23 0.30 0.00 0.77 0.00 0.00 66.41 66.25 2jka h THR 531 Cb 0.00 1.62 -0.08 0.00 -1.74 0.00 0.00 68.15 67.95 2jka h THR 531 CO 0.00 0.36 0.73 1.05 0.37 0.00 0.00 175.52 178.02 2jka h GLU 532 N 0.05 0.26 0.00 6.66 4.11 -1.89 0.44 114.58 124.21 2jka h GLU 532 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2jka h GLU 532 Cb 0.63 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2jka h GLU 532 CO 0.05 0.17 0.00 0.66 0.07 0.00 0.00 179.01 179.96 2jka n TYR 533 N -4.51 0.09 0.32 2.06 4.02 -0.85 -1.28 117.16 117.01 2jka n TYR 533 Ca 0.26 0.03 0.15 0.00 -0.01 0.00 0.00 57.90 58.33 2jka n TYR 533 Cb 1.01 -0.55 0.65 0.00 -0.02 0.00 0.00 39.34 40.43 2jka n TYR 533 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2jka h GLU 534 N 0.00 0.00 0.00 -0.72 4.39 -0.27 0.58 114.58 118.56 2jka h GLU 534 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jka h GLU 534 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2jka h GLU 534 CO 0.00 0.00 -0.88 -1.13 -1.16 0.00 0.00 179.01 175.84 2jka n SER 535 N -2.60 0.70 -1.56 1.42 3.41 -0.40 -3.77 113.62 110.81 2jka n SER 535 Ca 0.01 -0.49 0.03 0.00 -0.26 0.00 0.00 58.87 58.15 2jka n SER 535 Cb 0.21 0.73 0.32 0.00 -0.26 0.00 0.00 64.21 65.21 2jka n SER 535 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2jka n PHE 536 N -1.67 1.77 0.00 7.33 3.72 -0.51 -4.63 117.46 123.47 2jka n PHE 536 Ca 0.04 -0.96 0.00 0.00 -0.05 0.00 0.00 57.45 56.47 2jka n PHE 536 Cb 0.37 -0.50 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 2jka n PHE 536 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jka n GLY 537 N -0.07 1.49 0.00 1.37 0.00 -1.16 -5.04 105.19 101.78 2jka n GLY 537 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2jka n GLY 537 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jka n GLY 538 N 0.00 3.04 3.95 -0.02 0.00 0.08 -4.63 105.19 107.61 2jka n GLY 538 Ca 0.00 -1.81 -0.25 0.00 0.00 0.00 0.00 46.02 43.96 2jka n GLY 538 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jka s ASN 539 N 0.00 6.34 0.52 1.61 0.01 -1.26 -4.64 114.94 117.52 2jka s ASN 539 Ca 0.00 0.20 -0.22 0.00 -0.71 0.00 0.00 52.86 52.13 2jka s ASN 539 Cb 0.00 -1.92 -0.06 0.00 0.41 0.00 0.00 41.25 39.68 2jka s ASN 539 CO 0.00 -0.00 1.28 0.29 -1.51 0.00 0.00 177.10 177.16 2jka n LYS 540 N -0.79 1.65 -0.21 -0.60 5.02 -1.26 -4.53 118.16 117.44 2jka n LYS 540 Ca -0.07 0.60 0.09 0.00 -2.02 0.00 0.00 58.31 56.92 2jka n LYS 540 Cb 0.55 -2.46 0.38 0.00 -0.02 0.00 0.00 35.03 33.47 2jka n LYS 540 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2jka h VAL 541 N 1.49 0.93 -0.18 -0.18 2.07 -1.97 0.36 116.25 118.77 2jka h VAL 541 Ca -0.50 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2jka h VAL 541 Cb 1.31 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2jka h VAL 541 CO 0.57 0.13 0.00 0.00 0.02 0.00 0.00 177.57 178.29 2jka n TYR 542 N -4.51 0.23 -0.18 1.57 0.18 -1.26 -4.49 117.16 108.70 2jka n TYR 542 Ca 0.14 -0.11 -0.04 0.00 1.88 0.00 0.00 57.90 59.76 2jka n TYR 542 Cb 0.35 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.34 2jka n TYR 542 CO 0.00 0.00 0.00 1.25 -2.08 0.00 0.00 176.86 176.03 2jka h HIS 543 N 1.56 -0.64 0.00 -3.48 2.76 -1.26 -1.18 115.15 112.91 2jka h HIS 543 Ca 0.00 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2jka h HIS 543 Cb 0.35 0.37 0.00 0.00 1.55 0.00 0.00 27.41 29.67 2jka h HIS 543 CO 0.11 -0.33 0.00 0.25 -1.30 0.00 0.00 177.93 176.66 2jka n THR 544 N -5.43 0.13 1.28 6.26 -2.24 -1.26 -1.52 114.28 111.51 2jka n THR 544 Ca 0.05 0.03 0.13 0.00 -2.27 0.00 0.00 64.05 61.99 2jka n THR 544 Cb 0.33 -0.61 0.34 0.00 -2.10 0.00 0.00 70.33 68.30 2jka n THR 544 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2jka n THR 545 N -1.22 0.00 -0.07 4.28 -2.24 -0.45 -4.33 114.28 110.25 2jka n THR 545 Ca 0.14 -0.28 -0.11 0.00 -2.27 0.00 0.00 64.05 61.54 2jka n THR 545 Cb 0.18 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 69.12 2jka n THR 545 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2jka n ILE 546 N 0.21 0.74 -0.30 2.28 5.41 -0.57 -2.31 119.36 124.83 2jka n ILE 546 Ca 0.15 -0.26 0.12 0.00 1.00 0.00 0.00 62.75 63.77 2jka n ILE 546 Cb 0.42 -1.17 0.27 0.00 -0.71 0.00 0.00 39.64 38.45 2jka n ILE 546 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2jka h LEU 547 N -0.14 -0.10 -2.09 1.39 3.38 -1.60 -0.51 115.31 115.64 2jka h LEU 547 Ca -0.31 0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2jka h LEU 547 Cb 1.41 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 2jka h LEU 547 CO -0.09 -0.19 -0.08 -0.65 0.09 0.00 0.00 178.44 177.52 2jka h PRO 548 N 0.17 0.00 0.00 1.13 0.11 -1.86 -1.02 132.00 130.53 2jka h PRO 548 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 2jka h PRO 548 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2jka h PRO 548 CO -0.69 0.08 -0.25 0.74 -0.21 0.00 0.00 178.00 177.67 2jka h PHE 549 N 0.00 0.00 0.00 0.65 0.04 -1.41 -3.39 116.94 112.84 2jka h PHE 549 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2jka h PHE 549 Cb 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.38 2jka h PHE 549 CO 0.00 0.00 0.00 0.25 -0.60 0.00 0.00 178.31 177.96 2jka n THR 550 N -2.28 0.00 -0.32 -1.55 -2.24 -0.50 -4.70 114.28 102.69 2jka n THR 550 Ca 0.04 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.97 2jka n THR 550 Cb 0.44 -0.01 0.34 0.00 -2.10 0.00 0.00 70.33 69.00 2jka n THR 550 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2jka h ARG 551 N 0.00 0.51 0.00 -0.78 9.65 -1.63 -1.55 114.38 120.58 2jka h ARG 551 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2jka h ARG 551 Cb 0.00 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.47 2jka h ARG 551 CO 0.00 0.34 0.00 1.28 2.80 0.00 0.00 179.97 184.39 2jka n LEU 552 N -4.94 0.63 -4.58 3.80 4.77 -0.53 -4.50 117.00 111.65 2jka n LEU 552 Ca 0.24 0.62 -0.41 0.00 -0.03 0.00 0.00 56.01 56.43 2jka n LEU 552 Cb 0.67 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 2jka n LEU 552 CO 0.16 -0.42 1.46 -0.69 -1.33 0.00 0.00 177.39 176.56 2jka s VAL 553 N -3.23 3.56 0.00 4.08 1.01 -0.58 -1.89 120.40 123.35 2jka s VAL 553 Ca 0.06 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.53 2jka s VAL 553 Cb 0.10 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.48 2jka s VAL 553 CO 0.44 -0.81 0.00 0.61 0.00 0.00 0.00 175.10 175.34 2jka n GLY 554 N 5.44 1.97 0.00 4.51 0.00 -1.26 -4.72 105.19 111.13 2jka n GLY 554 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2jka n GLY 554 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jka n GLY 555 N 0.00 3.13 3.73 -0.02 0.00 -0.79 0.11 105.19 111.34 2jka n GLY 555 Ca 0.00 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 2jka n GLY 555 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jka s PRO 556 N -2.12 1.63 -0.05 1.61 0.04 -1.26 -4.42 135.00 130.44 2jka s PRO 556 Ca 0.00 1.12 0.06 0.00 0.04 0.00 0.00 61.00 62.22 2jka s PRO 556 Cb 0.00 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 2jka s PRO 556 CO 0.00 -2.07 -0.22 1.41 0.04 0.00 0.00 177.00 176.16 2jka s MET 557 N -4.85 2.47 -1.28 4.56 1.75 -1.25 -3.44 119.30 117.27 2jka s MET 557 Ca 0.63 -0.86 -0.17 0.00 -1.25 0.00 0.00 55.69 54.05 2jka s MET 557 Cb -0.19 -2.20 0.10 0.00 2.84 0.00 0.00 34.83 35.38 2jka s MET 557 CO 0.57 0.47 1.67 -3.47 -0.65 0.00 0.00 175.02 173.61 2jka n ASP 558 N 2.71 5.00 0.15 1.11 2.03 0.13 -4.75 116.55 122.93 2jka n ASP 558 Ca -0.17 -2.94 0.12 0.00 0.52 0.00 0.00 54.79 52.33 2jka n ASP 558 Cb 0.52 -1.70 0.17 0.00 -0.72 0.00 0.00 41.12 39.39 2jka n ASP 558 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2jka h TYR 559 N 7.42 0.00 -5.90 -0.67 3.20 -1.87 -3.43 116.97 115.72 2jka h TYR 559 Ca 0.42 0.00 -0.37 0.00 3.14 0.00 0.00 58.73 61.91 2jka h TYR 559 Cb 0.87 0.00 0.11 0.00 1.54 0.00 0.00 36.73 39.24 2jka h TYR 559 CO 1.34 0.00 -0.84 0.25 -1.64 0.00 0.00 178.16 177.27 2jka n THR 560 N -2.72 -5.83 -1.20 1.81 -2.24 -1.26 -2.59 114.28 100.25 2jka n THR 560 Ca 0.03 -0.72 -0.30 0.00 -2.27 0.00 0.00 64.05 60.79 2jka n THR 560 Cb 0.51 -4.60 0.23 0.00 -2.10 0.00 0.00 70.33 64.36 2jka n THR 560 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2jka s PRO 561 N -5.57 -0.93 0.00 -0.78 0.04 -1.25 -4.52 135.00 121.99 2jka s PRO 561 Ca 0.15 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.09 2jka s PRO 561 Cb -0.03 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.87 2jka s PRO 561 CO 0.79 -3.51 0.00 0.41 0.04 0.00 0.00 177.00 174.73 2jka n GLY 562 N -1.33 1.90 3.64 0.56 0.00 -1.26 -2.19 105.19 106.50 2jka n GLY 562 Ca 0.13 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2jka n GLY 562 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jka s ILE 563 N -2.00 4.93 -0.22 -0.61 -1.09 -1.26 -3.59 121.20 117.37 2jka s ILE 563 Ca 0.00 1.31 0.04 0.00 -2.23 0.00 0.00 60.65 59.77 2jka s ILE 563 Cb 0.00 -4.01 -0.20 0.00 -1.58 0.00 0.00 42.46 36.67 2jka s ILE 563 CO 0.00 0.01 -0.06 0.49 -1.23 0.00 0.00 174.94 174.15 2jka n PHE 564 N 5.68 0.23 -3.12 3.97 3.01 -1.26 -4.65 117.46 121.33 2jka n PHE 564 Ca 0.02 0.05 -0.45 0.00 1.01 0.00 0.00 57.45 58.08 2jka n PHE 564 Cb 0.49 -1.03 -0.04 0.00 -0.01 0.00 0.00 39.48 38.89 2jka n PHE 564 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2jka s GLU 565 N -2.52 3.27 0.00 -1.08 2.56 -1.26 -4.87 118.70 114.80 2jka s GLU 565 Ca -0.28 -1.64 0.29 0.00 0.00 0.00 0.00 54.97 53.34 2jka s GLU 565 Cb 0.08 -4.43 1.23 0.00 2.00 0.00 0.00 34.13 33.01 2jka s GLU 565 CO 0.67 -1.54 1.90 0.25 -0.56 0.00 0.00 175.26 175.98 2jka n THR 566 N 5.23 0.00 -2.97 -1.70 -2.24 -1.26 -4.62 114.28 106.71 2jka n THR 566 Ca 0.02 -0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.37 2jka n THR 566 Cb 0.45 -0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 68.21 2jka n THR 566 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2jka s HIS 567 N -2.89 3.00 0.34 4.78 3.76 -1.26 -0.38 115.29 122.64 2jka s HIS 567 Ca 0.17 0.18 0.30 0.00 -0.15 0.00 0.00 55.06 55.56 2jka s HIS 567 Cb 0.19 -3.63 1.46 0.00 1.11 0.00 0.00 32.58 31.71 2jka s HIS 567 CO 0.53 -0.96 2.05 0.00 -0.85 0.00 0.00 174.74 175.51 2jka n ASN 569 N -3.44 0.46 0.22 0.00 0.23 -0.49 -0.49 115.26 111.76 2jka n ASN 569 Ca -0.01 0.63 0.11 0.00 -0.53 0.00 0.00 54.58 54.78 2jka n ASN 569 Cb 0.26 -0.72 0.38 0.00 -2.08 0.00 0.00 39.78 37.62 2jka n ASN 569 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2jka h LYS 570 N 0.00 0.00 0.04 -3.83 1.57 -1.78 -3.17 116.57 109.41 2jka h LYS 570 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 2jka h LYS 570 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2jka h LYS 570 CO 0.00 0.17 -1.02 0.52 -0.57 0.00 0.00 179.45 178.56 2jka h MET 571 N 0.00 0.09 -3.52 3.15 2.86 -0.97 -3.46 114.93 113.07 2jka h MET 571 Ca -0.00 -0.15 -0.44 0.00 -2.06 0.00 0.00 59.70 57.05 2jka h MET 571 Cb 0.85 0.06 -0.39 0.00 0.06 0.00 0.00 31.60 32.18 2jka h MET 571 CO 0.02 1.07 -0.76 1.21 1.06 0.00 0.00 176.91 179.51 2jka s ASN 572 N -6.77 1.85 0.62 1.22 2.47 -0.77 -4.48 114.94 109.09 2jka s ASN 572 Ca -0.23 -0.26 0.37 0.00 0.42 0.00 0.00 52.86 53.15 2jka s ASN 572 Cb 0.03 -0.39 2.08 0.00 -1.45 0.00 0.00 41.25 41.52 2jka s ASN 572 CO 0.68 -0.24 2.30 1.55 -3.72 0.00 0.00 177.10 177.66 2jka h PRO 573 N 8.34 0.00 -0.00 0.43 0.13 -1.83 -1.03 132.00 138.04 2jka h PRO 573 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2jka h PRO 573 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2jka h PRO 573 CO 0.26 0.01 -0.14 0.00 -0.23 0.00 0.00 178.00 177.90 2jka n ALA 574 N -2.21 2.72 -2.83 -0.56 0.00 -1.26 -4.69 120.51 111.68 2jka n ALA 574 Ca -0.03 -0.20 -0.44 0.00 0.00 0.00 0.00 53.44 52.77 2jka n ALA 574 Cb 0.09 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.10 2jka n ALA 574 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2jka s ASN 575 N -2.84 6.17 -0.07 0.00 3.84 -0.39 -4.93 114.94 116.71 2jka s ASN 575 Ca 0.18 -1.20 0.11 0.00 0.21 0.00 0.00 52.86 52.17 2jka s ASN 575 Cb 0.19 -2.21 0.45 0.00 -0.55 0.00 0.00 41.25 39.12 2jka s ASN 575 CO 0.55 -0.72 1.30 -0.46 -2.79 0.00 0.00 177.10 174.99 2jka n ASN 576 N 5.49 3.12 -4.77 -4.21 2.04 -1.26 -1.39 115.26 114.28 2jka n ASN 576 Ca -0.11 -2.27 -0.35 0.00 -0.44 0.00 0.00 54.58 51.41 2jka n ASN 576 Cb 0.44 -0.45 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 2jka n ASN 576 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 2jka s SER 577 N -0.75 5.71 -0.06 0.53 0.15 -1.26 -4.88 113.70 113.13 2jka s SER 577 Ca 0.32 2.20 0.01 0.00 0.70 0.00 0.00 55.95 59.18 2jka s SER 577 Cb 0.20 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.95 2jka s SER 577 CO 0.16 -1.23 -0.07 -1.58 1.20 0.00 0.00 173.24 171.72 2jka s GLN 578 N -3.25 1.13 0.02 5.44 0.74 -1.25 -1.82 119.66 120.65 2jka s GLN 578 Ca 0.73 -0.19 -0.30 0.00 0.05 0.00 0.00 55.36 55.65 2jka s GLN 578 Cb -0.25 -1.08 -0.08 0.00 1.10 0.00 0.00 33.01 32.71 2jka s GLN 578 CO 0.28 -0.09 1.75 0.08 -0.55 0.00 0.00 175.29 176.77 2jka s VAL 579 N 1.00 3.21 -1.29 1.34 1.01 0.49 -4.55 120.40 121.62 2jka s VAL 579 Ca -0.09 0.41 -0.16 0.00 0.00 0.00 0.00 61.98 62.14 2jka s VAL 579 Cb -0.14 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 2jka s VAL 579 CO -0.00 -0.02 2.16 0.54 0.00 0.00 0.00 175.10 177.78 2jka n ARG 580 N 6.75 2.52 -3.67 2.72 5.12 -1.26 -4.82 116.66 124.02 2jka n ARG 580 Ca 0.18 -2.40 -0.11 0.00 -1.93 0.00 0.00 57.85 53.58 2jka n ARG 580 Cb 0.41 -3.19 -0.06 0.00 -1.16 0.00 0.00 32.46 28.47 2jka n ARG 580 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2jka s SER 581 N 3.63 -0.22 0.51 0.55 0.15 -1.26 -4.71 113.70 112.35 2jka s SER 581 Ca 0.50 -0.20 -0.03 0.00 0.70 0.00 0.00 55.95 56.92 2jka s SER 581 Cb 0.14 0.43 -0.00 0.00 -1.71 0.00 0.00 66.02 64.88 2jka s SER 581 CO -0.04 -0.75 0.78 0.42 1.20 0.00 0.00 173.24 174.86 2jka s THR 582 N -3.16 4.01 0.21 6.45 -4.23 -0.69 -4.55 115.64 113.69 2jka s THR 582 Ca -0.01 -0.18 -0.10 0.00 -1.18 0.00 0.00 61.69 60.22 2jka s THR 582 Cb 0.01 -3.53 0.16 0.00 1.34 0.00 0.00 72.50 70.47 2jka s THR 582 CO -0.07 -0.47 1.88 0.40 -0.54 0.00 0.00 174.62 175.81 2jka h ILE 583 N 0.14 1.17 -0.33 2.99 2.04 -1.29 -2.45 117.51 119.77 2jka h ILE 583 Ca -0.46 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.01 2jka h ILE 583 Cb 1.25 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 2jka h ILE 583 CO 0.59 0.18 -0.02 0.00 0.00 0.00 0.00 178.15 178.91 2jka h ALA 584 N 1.29 1.36 -0.24 1.87 0.00 -1.86 -2.17 119.26 119.51 2jka h ALA 584 Ca 0.28 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2jka h ALA 584 Cb -0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2jka h ALA 584 CO -0.07 0.44 -0.26 -0.09 0.00 0.00 0.00 179.25 179.27 2jka h ARG 585 N 0.50 0.45 -0.80 0.00 1.12 -1.68 -1.88 114.38 112.09 2jka h ARG 585 Ca 0.11 -0.17 -0.01 0.00 -1.11 0.00 0.00 59.98 58.79 2jka h ARG 585 Cb 0.35 -0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 30.24 2jka h ARG 585 CO 0.01 0.68 0.45 1.96 -3.11 0.00 0.00 179.97 179.96 2jka h GLN 586 N 0.40 1.11 -0.73 0.20 1.08 -0.94 -1.87 115.11 114.35 2jka h GLN 586 Ca 0.06 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 2jka h GLN 586 Cb 0.67 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.84 2jka h GLN 586 CO 0.05 0.81 0.41 -0.07 -0.95 0.00 0.00 178.83 179.08 2jka h LEU 587 N 1.11 0.90 -1.54 1.46 3.38 -1.11 -2.86 115.31 116.66 2jka h LEU 587 Ca 0.28 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.21 2jka h LEU 587 Cb 0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2jka h LEU 587 CO -0.05 0.73 0.38 0.00 0.09 0.00 0.00 178.44 179.59 2jka h ALA 588 N 1.21 1.79 -0.04 1.53 0.00 -0.58 -2.51 119.26 120.67 2jka h ALA 588 Ca 0.26 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.16 2jka h ALA 588 Cb 0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2jka h ALA 588 CO -0.04 0.12 0.04 -0.07 0.00 0.00 0.00 179.25 179.30 2jka h LEU 589 N 0.58 0.00 -1.59 0.00 3.38 -1.14 0.34 115.31 116.88 2jka h LEU 589 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2jka h LEU 589 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2jka h LEU 589 CO -0.07 0.00 0.00 1.88 0.09 0.00 0.00 178.44 180.34 2jka h TYR 590 N 0.00 0.00 0.00 1.13 0.05 -1.59 -0.55 116.97 116.00 2jka h TYR 590 Ca 0.02 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.60 2jka h TYR 590 Cb 0.09 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.79 2jka h TYR 590 CO 0.00 0.00 -1.74 0.28 -1.05 0.00 0.00 178.16 175.65 2jka n VAL 591 N -2.45 0.74 0.71 -2.88 0.31 0.02 -4.77 118.33 110.02 2jka n VAL 591 Ca -0.01 -0.33 0.12 0.00 -0.01 0.00 0.00 64.34 64.11 2jka n VAL 591 Cb 0.09 -0.90 0.13 0.00 -0.91 0.00 0.00 33.84 32.25 2jka n VAL 591 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2jka n THR 592 N -2.75 0.17 -3.61 2.52 -2.24 -0.64 -4.22 114.28 103.51 2jka n THR 592 Ca -0.22 -0.17 -0.37 0.00 -2.27 0.00 0.00 64.05 61.02 2jka n THR 592 Cb 0.77 0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 69.08 2jka n THR 592 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2jka s MET 593 N -3.12 3.27 0.26 -0.78 1.00 -0.22 -4.80 119.30 114.90 2jka s MET 593 Ca 0.07 -3.13 -0.30 0.00 0.00 0.00 0.00 55.69 52.32 2jka s MET 593 Cb 0.15 -3.99 -0.14 0.00 0.00 0.00 0.00 34.83 30.85 2jka s MET 593 CO 0.75 -1.25 1.28 0.98 0.00 0.00 0.00 175.02 176.78 2jka n TYR 594 N 2.59 1.89 -3.65 -0.03 9.36 -1.26 -4.79 117.16 121.27 2jka n TYR 594 Ca 0.19 0.54 -0.01 0.00 3.32 0.00 0.00 57.90 61.94 2jka n TYR 594 Cb 0.38 -2.39 -0.07 0.00 -0.63 0.00 0.00 39.34 36.64 2jka n TYR 594 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2jka s SER 595 N -0.01 -0.16 0.00 2.98 0.15 -1.26 -3.77 113.70 111.63 2jka s SER 595 Ca 0.65 0.27 0.22 0.00 0.70 0.00 0.00 55.95 57.79 2jka s SER 595 Cb -0.68 0.72 1.34 0.00 -1.71 0.00 0.00 66.02 65.69 2jka s SER 595 CO 0.54 -0.04 1.71 -0.81 1.20 0.00 0.00 173.24 175.84 2jka n PRO 596 N 2.57 0.69 -3.93 5.44 -0.04 -1.26 -4.51 135.00 133.97 2jka n PRO 596 Ca -0.15 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.02 2jka n PRO 596 Cb 0.57 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.37 2jka n PRO 596 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2jka s LEU 597 N -2.01 2.31 -0.09 1.53 2.96 -1.26 -0.83 118.68 121.29 2jka s LEU 597 Ca 0.33 -1.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.19 2jka s LEU 597 Cb 0.15 -1.11 0.03 0.00 0.50 0.00 0.00 46.19 45.75 2jka s LEU 597 CO 0.26 -0.22 -0.05 -1.10 -1.32 0.00 0.00 176.35 173.92 2jka s GLN 598 N 1.46 1.15 0.11 1.98 -1.52 -0.18 -4.73 119.66 117.93 2jka s GLN 598 Ca -0.04 -0.11 -0.12 0.00 -1.95 0.00 0.00 55.36 53.13 2jka s GLN 598 Cb -0.18 -1.31 -0.06 0.00 -0.22 0.00 0.00 33.01 31.24 2jka s GLN 598 CO -0.07 -0.26 0.47 1.41 -0.25 0.00 0.00 175.29 176.60 2jka s MET 599 N 1.73 3.87 -0.55 2.91 -2.45 -1.26 -0.83 119.30 122.72 2jka s MET 599 Ca 0.03 0.34 -0.15 0.00 -1.25 0.00 0.00 55.69 54.66 2jka s MET 599 Cb -0.13 -2.97 0.13 0.00 1.25 0.00 0.00 34.83 33.12 2jka s MET 599 CO -0.06 0.52 0.49 0.00 1.05 0.00 0.00 175.02 177.03 2jka s ALA 600 N -1.42 3.64 -0.83 4.11 0.00 0.40 -3.91 121.76 123.75 2jka s ALA 600 Ca 0.35 -2.60 0.26 0.00 0.00 0.00 0.00 51.96 49.98 2jka s ALA 600 Cb -0.15 -3.22 0.76 0.00 0.00 0.00 0.00 23.12 20.52 2jka s ALA 600 CO 0.18 -2.02 1.64 0.00 0.00 0.00 0.00 175.76 175.57 2jka n ALA 601 N 5.10 2.68 -1.77 0.00 0.00 -0.93 -4.43 120.51 121.15 2jka n ALA 601 Ca -0.11 -0.16 -0.29 0.00 0.00 0.00 0.00 53.44 52.88 2jka n ALA 601 Cb 0.41 -1.33 0.10 0.00 0.00 0.00 0.00 19.45 18.62 2jka n ALA 601 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jka s ASP 602 N -3.77 4.28 0.49 0.00 -1.08 -1.24 -4.43 116.67 110.93 2jka s ASP 602 Ca 0.11 0.90 -0.20 0.00 -0.52 0.00 0.00 52.55 52.84 2jka s ASP 602 Cb 0.15 -1.46 -0.08 0.00 -1.46 0.00 0.00 42.92 40.07 2jka s ASP 602 CO 0.63 -2.06 1.02 0.27 0.52 0.00 0.00 175.17 175.55 2jka s ILE 603 N -3.44 3.93 0.28 4.11 -4.36 -1.26 -4.84 121.20 115.61 2jka s ILE 603 Ca 0.62 1.16 0.01 0.00 -0.26 0.00 0.00 60.65 62.18 2jka s ILE 603 Cb -0.12 -3.48 0.27 0.00 1.25 0.00 0.00 42.46 40.38 2jka s ILE 603 CO 0.51 -0.30 1.81 -0.65 0.24 0.00 0.00 174.94 176.54 2jka h PRO 604 N 1.48 0.83 0.00 0.37 0.11 -1.96 -0.93 132.00 131.90 2jka h PRO 604 Ca -0.49 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 2jka h PRO 604 Cb 1.21 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 2jka h PRO 604 CO 0.59 0.55 -0.09 1.05 -0.21 0.00 0.00 178.00 179.89 2jka h GLU 605 N 0.85 0.00 0.01 1.05 4.11 -1.99 -0.69 114.58 117.94 2jka h GLU 605 Ca 0.50 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.68 2jka h GLU 605 Cb 0.59 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.85 2jka h GLU 605 CO -0.31 0.09 -1.02 -0.91 0.07 0.00 0.00 179.01 176.94 2jka h ASN 606 N 0.00 0.70 -0.15 3.06 2.35 -1.56 -2.99 115.58 116.99 2jka h ASN 606 Ca -0.00 -0.58 -0.04 0.00 -0.55 0.00 0.00 56.30 55.13 2jka h ASN 606 Cb 0.19 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 2jka h ASN 606 CO 0.01 1.38 -0.02 1.88 -1.65 0.00 0.00 177.43 179.03 2jka h TYR 607 N 0.29 0.41 0.00 1.19 0.05 -1.07 -2.63 116.97 115.21 2jka h TYR 607 Ca -0.11 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.62 2jka h TYR 607 Cb 1.67 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 39.28 2jka h TYR 607 CO 0.08 0.43 -0.06 0.93 -1.05 0.00 0.00 178.16 178.48 2jka h GLU 608 N 0.39 0.00 0.00 4.88 5.08 -1.02 -0.84 114.58 123.07 2jka h GLU 608 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2jka h GLU 608 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2jka h GLU 608 CO 0.01 0.06 -0.06 0.54 -1.00 0.00 0.00 179.01 178.56 2jka n ARG 609 N -3.24 0.27 -2.86 2.33 3.00 -0.99 -4.11 116.66 111.05 2jka n ARG 609 Ca -0.00 0.21 -0.15 0.00 -0.01 0.00 0.00 57.85 57.90 2jka n ARG 609 Cb 0.28 -1.80 0.00 0.00 0.00 0.00 0.00 32.46 30.94 2jka n ARG 609 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2jka n PHE 610 N -2.27 1.11 0.23 -1.55 3.72 -0.35 -4.91 117.46 113.44 2jka n PHE 610 Ca 0.05 -3.28 0.11 0.00 -0.05 0.00 0.00 57.45 54.28 2jka n PHE 610 Cb 0.43 -0.38 0.50 0.00 -0.94 0.00 0.00 39.48 39.10 2jka n PHE 610 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 2jka h MET 611 N 2.97 0.00 -0.51 -1.08 2.86 -1.64 -1.08 114.93 116.45 2jka h MET 611 Ca 0.02 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.57 2jka h MET 611 Cb 1.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 2jka h MET 611 CO 0.54 0.21 -0.03 0.38 1.06 0.00 0.00 176.91 179.07 2jka h ASP 612 N 0.00 0.91 0.18 1.22 2.03 -1.91 -2.64 116.42 116.21 2jka h ASP 612 Ca -0.00 -0.32 -0.16 0.00 -0.73 0.00 0.00 57.03 55.82 2jka h ASP 612 Cb 0.68 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.93 2jka h ASP 612 CO 0.03 1.01 -0.59 0.00 -1.03 0.00 0.00 179.24 178.65 2jka h ALA 613 N 0.93 0.74 -0.28 4.15 0.00 -1.75 -3.07 119.26 119.98 2jka h ALA 613 Ca 0.14 -0.53 0.08 0.00 0.00 0.00 0.00 54.91 54.60 2jka h ALA 613 Cb 0.56 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2jka h ALA 613 CO 0.03 0.71 0.27 0.35 0.00 0.00 0.00 179.25 180.61 2jka h PHE 614 N 0.31 0.00 -0.58 0.00 3.57 -0.98 -1.84 116.94 117.42 2jka h PHE 614 Ca -0.00 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 2jka h PHE 614 Cb 1.13 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.83 2jka h PHE 614 CO 0.04 0.00 0.38 0.37 -2.23 0.00 0.00 178.31 176.87 2jka h GLN 615 N 0.00 0.51 -0.66 1.11 5.75 -1.38 0.53 115.11 120.98 2jka h GLN 615 Ca 0.13 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.57 2jka h GLN 615 Cb 0.68 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.08 2jka h GLN 615 CO -0.00 0.34 0.26 0.35 -2.65 0.00 0.00 178.83 177.13 2jka h PHE 616 N 0.53 0.97 -0.42 3.99 3.57 -1.55 -1.00 116.94 123.04 2jka h PHE 616 Ca 0.25 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 2jka h PHE 616 Cb 0.31 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2jka h PHE 616 CO -0.00 0.74 -0.08 0.82 -2.23 0.00 0.00 178.31 177.57 2jka h ILE 617 N 0.95 1.27 -0.61 1.41 2.04 -1.09 -0.02 117.51 121.46 2jka h ILE 617 Ca 0.22 -1.16 0.01 0.00 1.00 0.00 0.00 64.86 64.93 2jka h ILE 617 Cb 0.18 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 2jka h ILE 617 CO -0.02 0.39 0.40 0.11 0.00 0.00 0.00 178.15 179.04 2jka h LYS 618 N 0.62 0.80 0.04 2.37 1.57 -1.00 -3.24 116.57 117.72 2jka h LYS 618 Ca 0.11 -0.05 -0.24 0.00 -1.87 0.00 0.00 60.65 58.60 2jka h LYS 618 Cb 0.60 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2jka h LYS 618 CO 0.04 0.53 -1.03 -0.44 -0.57 0.00 0.00 179.45 177.97 2jka h ASP 619 N 0.82 0.47 -3.29 0.86 3.32 -0.94 -3.47 116.42 114.18 2jka h ASP 619 Ca 0.23 -0.41 -0.56 0.00 0.02 0.00 0.00 57.03 56.31 2jka h ASP 619 Cb -0.09 -0.15 0.10 0.00 0.22 0.00 0.00 39.33 39.41 2jka h ASP 619 CO -0.05 1.24 0.69 0.55 -1.72 0.00 0.00 179.24 179.95 2jka n VAL 620 N -3.67 1.49 -2.00 -1.35 3.14 -0.04 -4.98 118.33 110.92 2jka n VAL 620 Ca -0.07 -0.37 -0.29 0.00 -2.96 0.00 0.00 64.34 60.65 2jka n VAL 620 Cb 0.89 -1.75 0.16 0.00 -1.06 0.00 0.00 33.84 32.08 2jka n VAL 620 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jka s ALA 621 N -0.56 2.47 0.00 1.55 0.00 -1.26 -5.01 121.76 118.94 2jka s ALA 621 Ca 0.60 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.41 2jka s ALA 621 Cb -0.55 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2jka s ALA 621 CO 0.56 -2.19 0.09 1.28 0.00 0.00 0.00 175.76 175.50 2jka n LEU 622 N -3.58 0.17 -3.76 0.00 4.77 -1.26 -5.00 117.00 108.33 2jka n LEU 622 Ca 0.14 -0.55 -0.13 0.00 -0.03 0.00 0.00 56.01 55.44 2jka n LEU 622 Cb 0.60 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.59 2jka n LEU 622 CO 0.47 0.04 0.00 -0.62 -1.33 0.00 0.00 177.39 175.96 2jka s ASP 623 N -0.75 -0.26 0.02 -1.43 2.15 -1.26 -4.21 116.67 110.93 2jka s ASP 623 Ca 0.00 0.37 0.02 0.00 0.43 0.00 0.00 52.55 53.38 2jka s ASP 623 Cb 0.00 0.49 -0.01 0.00 -0.30 0.00 0.00 42.92 43.10 2jka s ASP 623 CO 0.00 -0.27 -0.08 0.26 -0.17 0.00 0.00 175.17 174.91 2jka s TRP 624 N -0.56 0.66 -0.11 -5.34 0.52 -1.03 -1.36 118.94 111.73 2jka s TRP 624 Ca -0.07 -0.30 0.16 0.00 0.02 0.00 0.00 56.10 55.92 2jka s TRP 624 Cb -0.04 -0.41 -0.18 0.00 -1.15 0.00 0.00 33.47 31.70 2jka s TRP 624 CO 0.02 -0.03 0.68 -0.25 0.02 0.00 0.00 176.95 177.39 2jka n ASP 625 N 2.19 0.72 -3.82 2.95 8.00 0.11 -3.44 116.55 123.25 2jka n ASP 625 Ca -0.18 0.32 -0.12 0.00 0.71 0.00 0.00 54.79 55.52 2jka n ASP 625 Cb 0.56 0.31 -0.10 0.00 -0.02 0.00 0.00 41.12 41.88 2jka n ASP 625 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2jka s GLU 626 N -2.84 0.52 -0.05 -1.24 2.02 -1.23 -1.24 118.70 114.65 2jka s GLU 626 Ca -0.04 -0.20 0.03 0.00 0.02 0.00 0.00 54.97 54.78 2jka s GLU 626 Cb 0.08 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.55 2jka s GLU 626 CO 0.82 -0.13 -0.13 0.99 0.02 0.00 0.00 175.26 176.83 2jka s THR 627 N -1.11 1.14 -0.20 3.63 2.01 -0.97 -0.58 115.64 119.56 2jka s THR 627 Ca -0.12 -0.53 -0.00 0.00 0.31 0.00 0.00 61.69 61.35 2jka s THR 627 Cb -0.06 -1.01 0.01 0.00 0.01 0.00 0.00 72.50 71.46 2jka s THR 627 CO 0.02 0.34 -0.14 0.20 -0.69 0.00 0.00 174.62 174.35 2jka s ASN 628 N 0.32 3.56 -0.54 3.53 0.01 0.22 -5.00 114.94 117.04 2jka s ASN 628 Ca -0.08 -0.61 -0.23 0.00 -0.71 0.00 0.00 52.86 51.23 2jka s ASN 628 Cb -0.12 -1.57 0.04 0.00 0.41 0.00 0.00 41.25 40.01 2jka s ASN 628 CO 0.02 -0.02 0.89 -0.31 -1.51 0.00 0.00 177.10 176.17 2jka s TYR 629 N 1.34 2.84 -0.07 2.20 2.02 -1.26 -1.02 117.35 123.40 2jka s TYR 629 Ca 0.05 -0.11 -0.19 0.00 -0.37 0.00 0.00 57.07 56.45 2jka s TYR 629 Cb -0.14 -3.98 -0.30 0.00 -0.40 0.00 0.00 41.96 37.15 2jka s TYR 629 CO -0.10 -1.30 0.75 -0.07 -1.57 0.00 0.00 175.55 173.27 2jka h LEU 630 N 10.75 0.44 -7.61 -1.29 3.38 -0.94 -3.46 115.31 116.57 2jka h LEU 630 Ca -0.26 -0.90 -0.19 0.00 0.09 0.00 0.00 57.88 56.61 2jka h LEU 630 Cb 1.08 -0.14 -0.26 0.00 0.09 0.00 0.00 40.66 41.42 2jka h LEU 630 CO 1.07 1.50 -0.55 -1.61 0.09 0.00 0.00 178.44 178.93 2jka s GLU 631 N -2.45 0.20 -0.27 1.13 2.02 -0.89 -4.97 118.70 113.47 2jka s GLU 631 Ca -0.16 0.12 -0.13 0.00 0.02 0.00 0.00 54.97 54.82 2jka s GLU 631 Cb 0.02 0.09 0.09 0.00 0.10 0.00 0.00 34.13 34.44 2jka s GLU 631 CO 0.80 -0.03 0.62 0.00 0.02 0.00 0.00 175.26 176.68 2jka s ALA 632 N -0.09 -1.77 -0.13 5.21 0.00 -1.26 0.06 121.76 123.78 2jka s ALA 632 Ca -0.02 2.23 -0.04 0.00 0.00 0.00 0.00 51.96 54.13 2jka s ALA 632 Cb -0.02 -1.46 0.07 0.00 0.00 0.00 0.00 23.12 21.71 2jka s ALA 632 CO 0.00 -0.54 0.25 -2.00 0.00 0.00 0.00 175.76 173.46 2jka s GLU 633 N 2.03 0.14 0.29 0.00 2.56 0.16 -4.44 118.70 119.44 2jka s GLU 633 Ca -0.08 0.67 -0.30 0.00 0.00 0.00 0.00 54.97 55.27 2jka s GLU 633 Cb -0.08 -0.17 -0.11 0.00 2.00 0.00 0.00 34.13 35.77 2jka s GLU 633 CO -0.18 -0.32 1.52 -1.25 -0.56 0.00 0.00 175.26 174.46 2jka s PRO 634 N 2.40 4.18 0.00 4.30 0.04 -1.26 -1.54 135.00 143.11 2jka s PRO 634 Ca 0.02 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.53 2jka s PRO 634 Cb -0.12 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.37 2jka s PRO 634 CO -0.08 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.84 2jka n GLY 635 N 1.88 2.16 1.10 0.56 0.00 -0.98 -4.81 105.19 105.10 2jka n GLY 635 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2jka n GLY 635 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jka n GLU 636 N -2.00 0.00 -3.55 1.61 1.02 -0.59 -4.55 120.64 112.58 2jka n GLU 636 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 2jka n GLU 636 Cb 0.00 -0.47 -0.06 0.00 -0.02 0.00 0.00 31.44 30.89 2jka n GLU 636 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 2jka s TYR 637 N -2.00 -0.56 -0.04 -0.32 -0.85 -0.79 0.20 117.35 112.99 2jka s TYR 637 Ca 0.00 1.02 -0.00 0.00 -0.52 0.00 0.00 57.07 57.57 2jka s TYR 637 Cb 0.00 0.41 0.03 0.00 0.38 0.00 0.00 41.96 42.78 2jka s TYR 637 CO 0.00 -0.49 0.00 0.42 -1.52 0.00 0.00 175.55 173.97 2jka s ILE 638 N -0.99 0.21 -0.09 -3.49 1.01 -0.32 -0.66 121.20 116.87 2jka s ILE 638 Ca -0.07 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.71 2jka s ILE 638 Cb -0.01 -0.33 0.02 0.00 0.01 0.00 0.00 42.46 42.15 2jka s ILE 638 CO 0.06 0.18 -0.11 -0.89 0.00 0.00 0.00 174.94 174.18 2jka s THR 639 N 1.34 1.15 -0.02 2.92 2.01 0.11 -1.16 115.64 121.99 2jka s THR 639 Ca -0.05 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.54 2jka s THR 639 Cb -0.13 -1.09 0.01 0.00 0.01 0.00 0.00 72.50 71.29 2jka s THR 639 CO -0.02 0.37 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.61 2jka s ILE 640 N 1.16 0.40 -0.08 1.82 1.01 0.29 -0.19 121.20 125.62 2jka s ILE 640 Ca -0.05 -0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.50 2jka s ILE 640 Cb -0.14 -0.38 -0.02 0.00 0.01 0.00 0.00 42.46 41.93 2jka s ILE 640 CO -0.02 0.15 -0.19 0.00 0.00 0.00 0.00 174.94 174.87 2jka s ALA 641 N 0.34 2.42 0.01 9.38 0.00 -0.19 -1.10 121.76 132.62 2jka s ALA 641 Ca -0.04 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 50.97 2jka s ALA 641 Cb -0.07 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 2jka s ALA 641 CO -0.00 0.41 -0.09 1.03 0.00 0.00 0.00 175.76 177.11 2jka s ARG 642 N -0.16 0.63 -0.29 0.00 0.52 0.13 0.70 118.95 120.48 2jka s ARG 642 Ca -0.02 -0.45 -0.15 0.00 -0.52 0.00 0.00 55.73 54.59 2jka s ARG 642 Cb -0.14 -0.57 -0.03 0.00 0.52 0.00 0.00 34.95 34.73 2jka s ARG 642 CO 0.04 0.15 0.38 0.21 0.02 0.00 0.00 175.30 176.09 2jka s LYS 643 N -0.64 3.92 0.31 3.54 2.20 0.26 -0.77 119.74 128.55 2jka s LYS 643 Ca -0.00 -0.05 -0.30 0.00 -0.36 0.00 0.00 55.97 55.26 2jka s LYS 643 Cb -0.05 -3.69 -0.12 0.00 -1.51 0.00 0.00 37.83 32.46 2jka s LYS 643 CO 0.00 -0.34 1.52 0.00 -0.36 0.00 0.00 175.35 176.17 2jka n ALA 644 N 5.36 2.18 -1.70 3.13 0.00 -0.17 -0.72 120.51 128.60 2jka n ALA 644 Ca -0.08 0.37 -0.44 0.00 0.00 0.00 0.00 53.44 53.29 2jka n ALA 644 Cb 0.50 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.52 2jka n ALA 644 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2jka n LYS 645 N 1.67 2.40 -1.65 0.00 4.81 -0.46 -1.73 118.16 123.19 2jka n LYS 645 Ca 0.07 0.86 -0.17 0.00 -0.87 0.00 0.00 58.31 58.21 2jka n LYS 645 Cb 0.36 -2.64 -0.06 0.00 0.02 0.00 0.00 35.03 32.71 2jka n LYS 645 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2jka n ASP 646 N 3.12 -5.06 -4.07 3.14 8.00 -1.26 -4.94 116.55 115.49 2jka n ASP 646 Ca 0.14 0.34 -0.22 0.00 0.71 0.00 0.00 54.79 55.76 2jka n ASP 646 Cb 0.32 -4.08 -0.09 0.00 -0.02 0.00 0.00 41.12 37.26 2jka n ASP 646 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2jka s THR 647 N -2.68 0.53 -0.23 -3.53 -4.23 -0.71 -5.03 115.64 99.77 2jka s THR 647 Ca 0.00 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.65 2jka s THR 647 Cb 0.00 -2.47 0.60 0.00 1.34 0.00 0.00 72.50 71.97 2jka s THR 647 CO 0.00 0.00 1.54 0.47 -0.54 0.00 0.00 174.62 176.09 2jka n ASP 648 N -1.11 4.01 -4.89 3.99 8.00 -1.26 -4.70 116.55 120.59 2jka n ASP 648 Ca -0.02 -3.18 -0.35 0.00 0.71 0.00 0.00 54.79 51.95 2jka n ASP 648 Cb 0.65 -0.62 -0.05 0.00 -0.02 0.00 0.00 41.12 41.08 2jka n ASP 648 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2jka s ASP 649 N -1.76 6.33 0.14 -2.24 1.01 -1.26 -4.27 116.67 114.63 2jka s ASP 649 Ca 0.46 0.38 0.11 0.00 0.71 0.00 0.00 52.55 54.21 2jka s ASP 649 Cb 0.38 -2.00 -0.04 0.00 1.01 0.00 0.00 42.92 42.27 2jka s ASP 649 CO 0.09 0.32 -0.25 0.26 0.21 0.00 0.00 175.17 175.80 2jka s TRP 650 N -1.21 2.22 -0.01 4.23 0.52 0.05 -1.00 118.94 123.74 2jka s TRP 650 Ca 0.22 -0.38 0.04 0.00 0.02 0.00 0.00 56.10 56.00 2jka s TRP 650 Cb -0.12 -1.17 -0.01 0.00 -1.15 0.00 0.00 33.47 31.02 2jka s TRP 650 CO 0.13 0.36 -0.13 0.71 0.02 0.00 0.00 176.95 178.04 2jka s TYR 651 N -1.27 1.22 -0.03 -1.98 2.02 0.05 -0.48 117.35 116.89 2jka s TYR 651 Ca 0.15 -0.25 0.05 0.00 -0.37 0.00 0.00 57.07 56.65 2jka s TYR 651 Cb -0.09 -0.80 -0.01 0.00 -0.40 0.00 0.00 41.96 40.66 2jka s TYR 651 CO 0.07 -0.04 -0.17 0.08 -1.57 0.00 0.00 175.55 173.92 2jka s VAL 652 N -0.23 1.38 0.02 0.71 1.01 -0.08 -0.70 120.40 122.51 2jka s VAL 652 Ca 0.04 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.32 2jka s VAL 652 Cb -0.06 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 2jka s VAL 652 CO -0.00 0.39 -0.08 -0.83 0.00 0.00 0.00 175.10 174.59 2jka s GLY 653 N -0.22 0.43 -0.06 4.51 0.00 -0.26 -0.67 107.32 111.06 2jka s GLY 653 Ca 0.02 -0.52 0.02 0.00 0.00 0.00 0.00 44.72 44.25 2jka s GLY 653 CO 0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 173.10 172.47 2jka s THR 655 N 0.55 1.97 0.07 0.00 -1.32 -0.31 -2.02 115.64 114.58 2jka s THR 655 Ca -0.12 -1.16 0.01 0.00 -1.21 0.00 0.00 61.69 59.20 2jka s THR 655 Cb -0.15 -1.66 -0.04 0.00 -1.51 0.00 0.00 72.50 69.15 2jka s THR 655 CO 0.03 0.46 -0.05 0.00 -2.21 0.00 0.00 174.62 172.86 2jka s ALA 656 N -0.66 0.66 0.91 11.08 0.00 -0.69 -1.17 121.76 131.89 2jka s ALA 656 Ca 0.10 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2jka s ALA 656 Cb -0.10 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.21 2jka s ALA 656 CO 0.00 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.91 2jka n GLY 657 N 0.34 0.25 0.28 0.00 0.00 0.13 -3.70 105.19 102.49 2jka n GLY 657 Ca -0.15 -1.60 0.15 0.00 0.00 0.00 0.00 46.02 44.42 2jka n GLY 657 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jka h GLU 658 N 0.00 0.00 -0.03 1.61 5.08 -1.86 -0.50 114.58 118.88 2jka h GLU 658 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jka h GLU 658 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2jka h GLU 658 CO 0.00 0.08 -0.00 0.09 -1.00 0.00 0.00 179.01 178.17 2jka n ASN 659 N -3.51 2.97 -0.32 1.42 4.13 -1.26 -4.58 115.26 114.12 2jka n ASN 659 Ca -0.02 -1.99 0.02 0.00 1.68 0.00 0.00 54.58 54.27 2jka n ASN 659 Cb 0.21 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.44 2jka n ASN 659 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jka n GLY 660 N 1.35 -1.93 3.61 7.41 0.00 -0.93 -4.76 105.19 109.94 2jka n GLY 660 Ca 0.14 -1.36 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 2jka n GLY 660 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jka s HIS 661 N -0.48 -0.63 -0.21 1.61 2.46 -0.12 -4.54 115.29 113.38 2jka s HIS 661 Ca 0.00 1.44 -0.03 0.00 0.47 0.00 0.00 55.06 56.94 2jka s HIS 661 Cb 0.00 0.34 -0.01 0.00 -0.13 0.00 0.00 32.58 32.78 2jka s HIS 661 CO 0.00 -0.37 -0.06 0.99 -2.47 0.00 0.00 174.74 172.84 2jka s THR 662 N -0.06 3.31 -0.05 0.89 2.01 -1.26 0.85 115.64 121.33 2jka s THR 662 Ca -0.01 -0.52 -0.01 0.00 0.31 0.00 0.00 61.69 61.45 2jka s THR 662 Cb -0.04 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 2jka s THR 662 CO 0.00 0.44 0.04 -0.44 -0.69 0.00 0.00 174.62 173.98 2jka s SER 663 N 1.28 5.50 -0.61 3.53 0.01 0.16 -4.97 113.70 118.60 2jka s SER 663 Ca 0.03 0.16 -0.05 0.00 1.31 0.00 0.00 55.95 57.40 2jka s SER 663 Cb -0.14 -1.57 0.16 0.00 0.21 0.00 0.00 66.02 64.67 2jka s SER 663 CO -0.02 0.33 0.45 -0.54 0.41 0.00 0.00 173.24 173.87 2jka s LYS 664 N -1.30 2.64 0.24 12.44 -0.14 -1.26 -1.16 119.74 131.21 2jka s LYS 664 Ca 0.18 -2.36 -0.30 0.00 -1.36 0.00 0.00 55.97 52.12 2jka s LYS 664 Cb -0.12 -3.84 -0.09 0.00 -1.68 0.00 0.00 37.83 32.11 2jka s LYS 664 CO 0.08 -1.18 0.98 -0.51 -0.76 0.00 0.00 175.35 173.95 2jka s LEU 665 N 0.25 4.61 -0.23 3.17 1.43 0.20 -4.89 118.68 123.23 2jka s LEU 665 Ca 0.15 2.00 0.02 0.00 -1.03 0.00 0.00 54.13 55.27 2jka s LEU 665 Cb -0.20 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 42.46 2jka s LEU 665 CO -0.04 0.07 -0.11 -0.69 0.23 0.00 0.00 176.35 175.81 2jka s VAL 666 N -1.06 1.90 -0.20 -1.59 1.01 -1.26 -1.36 120.40 117.84 2jka s VAL 666 Ca 0.42 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2jka s VAL 666 Cb -0.27 -1.97 0.20 0.00 0.00 0.00 0.00 36.38 34.33 2jka s VAL 666 CO 0.34 0.10 1.70 0.49 0.00 0.00 0.00 175.10 177.73 2jka n PHE 667 N 4.57 1.13 1.44 5.22 3.72 -0.65 -4.44 117.46 128.46 2jka n PHE 667 Ca -0.15 -1.38 0.06 0.00 -0.05 0.00 0.00 57.45 55.93 2jka n PHE 667 Cb 0.45 -0.68 0.37 0.00 -0.94 0.00 0.00 39.48 38.68 2jka n PHE 667 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2jka n ASP 668 N 0.30 0.00 -0.00 4.37 5.75 -1.23 -1.78 116.55 123.95 2jka n ASP 668 Ca 0.22 -1.05 0.12 0.00 -0.01 0.00 0.00 54.79 54.07 2jka n ASP 668 Cb 0.73 0.00 0.28 0.00 -1.03 0.00 0.00 41.12 41.09 2jka n ASP 668 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 2jka n PHE 669 N -0.77 0.00 -1.37 2.11 1.16 -1.26 -4.91 117.46 112.42 2jka n PHE 669 Ca 0.09 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.38 2jka n PHE 669 Cb 0.04 -0.27 0.14 0.00 -1.61 0.00 0.00 39.48 37.78 2jka n PHE 669 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2jka s LEU 670 N -2.99 2.09 0.11 5.98 1.43 -0.73 -4.99 118.68 119.57 2jka s LEU 670 Ca 0.11 1.22 -0.27 0.00 -1.03 0.00 0.00 54.13 54.16 2jka s LEU 670 Cb 0.18 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.74 2jka s LEU 670 CO 0.69 -2.59 0.84 -0.89 0.23 0.00 0.00 176.35 174.62 2jka s THR 671 N -3.09 4.51 0.25 5.49 2.01 -1.26 -4.70 115.64 118.85 2jka s THR 671 Ca 0.63 1.82 -0.31 0.00 0.31 0.00 0.00 61.69 64.14 2jka s THR 671 Cb -0.16 -4.20 -0.13 0.00 0.01 0.00 0.00 72.50 68.02 2jka s THR 671 CO 0.55 0.40 1.53 -2.65 -0.69 0.00 0.00 174.62 173.77 2jka n PRO 672 N 2.39 2.39 -0.39 4.92 -0.02 -1.26 -2.28 135.00 140.74 2jka n PRO 672 Ca -0.02 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2jka n PRO 672 Cb 0.49 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 2jka n PRO 672 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jka n GLY 673 N 2.49 1.87 3.95 -1.23 0.00 -1.26 -5.03 105.19 105.98 2jka n GLY 673 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 2jka n GLY 673 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jka s LYS 674 N -0.13 3.42 0.02 1.61 1.02 -0.97 -5.11 119.74 119.61 2jka s LYS 674 Ca 0.00 -0.49 0.09 0.00 0.02 0.00 0.00 55.97 55.58 2jka s LYS 674 Cb 0.00 -2.72 -0.03 0.00 -0.52 0.00 0.00 37.83 34.56 2jka s LYS 674 CO 0.00 0.18 -0.26 -0.65 -0.92 0.00 0.00 175.35 173.70 2jka s GLN 675 N -4.24 1.89 0.01 1.68 -0.21 -1.26 -4.63 119.66 112.90 2jka s GLN 675 Ca 0.39 -1.04 0.04 0.00 0.02 0.00 0.00 55.36 54.77 2jka s GLN 675 Cb -0.09 -1.98 -0.01 0.00 1.00 0.00 0.00 33.01 31.92 2jka s GLN 675 CO 0.34 0.52 -0.12 0.71 -2.12 0.00 0.00 175.29 174.62 2jka s TYR 676 N -0.74 1.08 -0.45 0.91 2.02 -0.39 -1.13 117.35 118.64 2jka s TYR 676 Ca 0.11 -0.25 -0.22 0.00 -0.37 0.00 0.00 57.07 56.34 2jka s TYR 676 Cb -0.10 -0.68 0.03 0.00 -0.40 0.00 0.00 41.96 40.81 2jka s TYR 676 CO 0.01 -0.01 0.71 0.42 -1.57 0.00 0.00 175.55 175.11 2jka s ILE 677 N -0.47 4.75 -0.12 2.71 1.01 0.71 -0.43 121.20 129.36 2jka s ILE 677 Ca 0.03 0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.81 2jka s ILE 677 Cb -0.06 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 2jka s ILE 677 CO 0.00 -0.68 0.08 0.00 0.00 0.00 0.00 174.94 174.34 2jka s ALA 678 N 3.02 3.62 -0.18 9.38 0.00 -0.23 -1.43 121.76 135.94 2jka s ALA 678 Ca 0.25 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.51 2jka s ALA 678 Cb -0.14 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.20 2jka s ALA 678 CO 0.20 0.54 -0.18 0.99 0.00 0.00 0.00 175.76 177.31 2jka s THR 679 N -0.77 1.95 -0.30 0.00 2.01 -0.16 -1.60 115.64 116.77 2jka s THR 679 Ca 0.13 -0.92 -0.10 0.00 0.31 0.00 0.00 61.69 61.10 2jka s THR 679 Cb -0.12 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.57 2jka s THR 679 CO 0.03 0.47 0.17 -0.69 -0.69 0.00 0.00 174.62 173.91 2jka s VAL 680 N 1.32 4.90 -0.37 3.82 1.01 0.87 -1.57 120.40 130.39 2jka s VAL 680 Ca 0.04 -0.20 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 2jka s VAL 680 Cb -0.14 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.82 2jka s VAL 680 CO -0.12 0.12 0.22 -0.31 0.00 0.00 0.00 175.10 175.02 2jka s TYR 681 N 1.67 3.23 0.12 5.22 2.02 0.50 -1.48 117.35 128.63 2jka s TYR 681 Ca 0.06 -0.73 0.04 0.00 -0.37 0.00 0.00 57.07 56.06 2jka s TYR 681 Cb -0.17 -2.46 -0.04 0.00 -0.40 0.00 0.00 41.96 38.89 2jka s TYR 681 CO 0.08 -0.57 -0.09 0.00 -1.57 0.00 0.00 175.55 173.40 2jka s ALA 682 N 1.61 1.25 0.24 3.71 0.00 -0.49 -0.61 121.76 127.48 2jka s ALA 682 Ca 0.04 -1.38 -0.31 0.00 0.00 0.00 0.00 51.96 50.30 2jka s ALA 682 Cb -0.19 0.07 -0.12 0.00 0.00 0.00 0.00 23.12 22.88 2jka s ALA 682 CO 0.08 -0.12 1.62 -0.25 0.00 0.00 0.00 175.76 177.09 2jka n ASP 683 N 0.02 3.72 -4.75 0.00 8.00 -1.23 -0.01 116.55 122.29 2jka n ASP 683 Ca -0.12 1.11 -0.31 0.00 0.71 0.00 0.00 54.79 56.18 2jka n ASP 683 Cb 0.60 -1.55 0.10 0.00 -0.02 0.00 0.00 41.12 40.25 2jka n ASP 683 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jka s ALA 684 N 0.52 2.14 0.21 2.24 0.00 -0.71 -4.61 121.76 121.54 2jka s ALA 684 Ca 0.70 0.33 -0.32 0.00 0.00 0.00 0.00 51.96 52.67 2jka s ALA 684 Cb -0.53 -3.30 -0.13 0.00 0.00 0.00 0.00 23.12 19.15 2jka s ALA 684 CO 0.41 -1.91 1.49 1.17 0.00 0.00 0.00 175.76 176.92 2jka n LYS 685 N -3.60 2.13 -1.14 0.00 3.00 -1.26 -0.83 118.16 116.46 2jka n LYS 685 Ca 0.10 0.76 -0.05 0.00 -0.00 0.00 0.00 58.31 59.12 2jka n LYS 685 Cb 0.53 -2.48 -0.02 0.00 0.00 0.00 0.00 35.03 33.06 2jka n LYS 685 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2jka n ASP 686 N 2.71 -5.04 -4.48 3.14 9.92 -1.26 -5.00 116.55 116.54 2jka n ASP 686 Ca 0.14 0.12 -0.36 0.00 -0.53 0.00 0.00 54.79 54.16 2jka n ASP 686 Cb 0.31 -2.97 0.08 0.00 -0.64 0.00 0.00 41.12 37.90 2jka n ASP 686 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jka n ALA 687 N 1.09 -1.50 -3.64 2.24 0.00 -0.01 -4.73 120.51 113.96 2jka n ALA 687 Ca -0.05 -0.29 -0.07 0.00 0.00 0.00 0.00 53.44 53.03 2jka n ALA 687 Cb 0.40 -1.88 -0.07 0.00 0.00 0.00 0.00 19.45 17.90 2jka n ALA 687 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jka s ASP 688 N -1.58 -0.65 0.29 0.00 2.15 0.58 -4.56 116.67 112.90 2jka s ASP 688 Ca 0.65 1.11 0.03 0.00 0.43 0.00 0.00 52.55 54.77 2jka s ASP 688 Cb -0.33 1.22 0.61 0.00 -0.30 0.00 0.00 42.92 44.12 2jka s ASP 688 CO 0.58 -0.18 1.81 4.11 -0.17 0.00 0.00 175.17 181.32 2jka h TRP 689 N 5.72 1.08 0.00 -5.34 5.08 -1.65 0.70 115.95 121.55 2jka h TRP 689 Ca -0.29 0.03 -0.08 0.00 1.08 0.00 0.00 58.89 59.63 2jka h TRP 689 Cb 1.19 -0.33 -0.01 0.00 -3.00 0.00 0.00 29.16 27.01 2jka h TRP 689 CO 0.18 0.35 -0.59 -0.22 -1.28 0.00 0.00 178.44 176.89 2jka h LYS 690 N 0.88 0.00 0.00 0.12 3.64 -1.86 -3.38 116.57 115.96 2jka h LYS 690 Ca 0.52 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.72 2jka h LYS 690 Cb 0.65 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 2jka h LYS 690 CO -0.32 0.60 -1.35 0.93 -2.27 0.00 0.00 179.45 177.04 2jka h GLU 691 N -1.00 0.00 -0.90 1.90 4.39 -1.96 -3.42 114.58 113.59 2jka h GLU 691 Ca -0.13 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.21 2jka h GLU 691 Cb 0.83 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 29.23 2jka h GLU 691 CO -0.08 0.37 -0.77 -1.71 -1.16 0.00 0.00 179.01 175.66 2jka n ASN 692 N -2.97 -1.38 0.17 1.42 5.15 0.06 -4.93 115.26 112.79 2jka n ASN 692 Ca -0.09 -3.13 0.05 0.00 -0.60 0.00 0.00 54.58 50.81 2jka n ASN 692 Cb 0.87 0.75 0.19 0.00 -0.53 0.00 0.00 39.78 41.05 2jka n ASN 692 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2jka h PRO 693 N 3.74 0.00 -0.68 1.20 0.13 -1.25 0.17 132.00 135.31 2jka h PRO 693 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2jka h PRO 693 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2jka h PRO 693 CO 0.36 0.40 0.00 1.04 -0.23 0.00 0.00 178.00 179.57 2jka n GLN 694 N -3.32 2.66 -2.98 0.86 6.02 -1.26 -0.83 117.38 118.53 2jka n GLN 694 Ca 0.01 -2.46 -0.43 0.00 -0.01 0.00 0.00 57.00 54.12 2jka n GLN 694 Cb 0.62 -1.56 -0.05 0.00 1.02 0.00 0.00 30.24 30.26 2jka n GLN 694 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jka s ALA 695 N -1.17 3.28 0.07 -1.58 0.00 -1.25 -4.94 121.76 116.17 2jka s ALA 695 Ca 0.45 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2jka s ALA 695 Cb 0.24 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 2jka s ALA 695 CO 0.30 -2.04 -0.04 1.52 0.00 0.00 0.00 175.76 175.49 2jka s TYR 696 N 3.30 0.68 0.27 0.00 -0.85 -1.26 -1.74 117.35 117.75 2jka s TYR 696 Ca 0.27 -1.01 0.11 0.00 -0.52 0.00 0.00 57.07 55.92 2jka s TYR 696 Cb -0.14 -0.45 -0.05 0.00 0.38 0.00 0.00 41.96 41.71 2jka s TYR 696 CO 0.20 -0.28 -0.18 0.95 -1.52 0.00 0.00 175.55 174.71 2jka s THR 697 N -3.80 2.34 -0.08 -3.49 -4.23 0.98 -4.62 115.64 102.75 2jka s THR 697 Ca 0.09 -2.36 0.00 0.00 -1.18 0.00 0.00 61.69 58.24 2jka s THR 697 Cb 0.07 -2.29 0.02 0.00 1.34 0.00 0.00 72.50 71.64 2jka s THR 697 CO -0.08 -0.41 -0.07 -0.63 -0.54 0.00 0.00 174.62 172.89 2jka s ILE 698 N -2.59 0.81 -0.01 2.99 1.01 -1.25 -1.39 121.20 120.76 2jka s ILE 698 Ca 0.29 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.75 2jka s ILE 698 Cb -0.04 -0.83 -0.00 0.00 0.01 0.00 0.00 42.46 41.60 2jka s ILE 698 CO 0.14 0.31 -0.10 -0.54 0.00 0.00 0.00 174.94 174.75 2jka s LYS 699 N 1.31 0.90 0.05 2.79 -0.14 -0.55 -4.97 119.74 119.13 2jka s LYS 699 Ca -0.04 -0.36 0.08 0.00 -1.36 0.00 0.00 55.97 54.30 2jka s LYS 699 Cb -0.14 -0.86 -0.03 0.00 -1.68 0.00 0.00 37.83 35.13 2jka s LYS 699 CO -0.03 0.19 -0.24 0.21 -0.76 0.00 0.00 175.35 174.73 2jka s LYS 700 N -0.11 1.58 0.00 1.68 2.20 -1.26 -0.09 119.74 123.74 2jka s LYS 700 Ca 0.02 -1.04 -0.08 0.00 -0.36 0.00 0.00 55.97 54.51 2jka s LYS 700 Cb -0.05 -1.74 0.03 0.00 -1.51 0.00 0.00 37.83 34.55 2jka s LYS 700 CO -0.00 0.45 0.36 0.41 -0.36 0.00 0.00 175.35 176.21 2jka n GLY 701 N 1.78 0.59 3.75 5.54 0.00 -0.63 -5.00 105.19 111.23 2jka n GLY 701 Ca -0.17 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 2jka n GLY 701 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jka s ILE 702 N -2.16 4.70 0.13 -0.61 -1.09 -1.26 -1.07 121.20 119.85 2jka s ILE 702 Ca 0.09 -0.18 0.08 0.00 -2.23 0.00 0.00 60.65 58.40 2jka s ILE 702 Cb -0.00 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.80 2jka s ILE 702 CO 0.00 0.54 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.31 2jka s LEU 703 N -1.15 2.39 0.00 2.97 1.43 0.43 -4.89 118.68 119.86 2jka s LEU 703 Ca 0.16 -0.79 0.07 0.00 -1.03 0.00 0.00 54.13 52.54 2jka s LEU 703 Cb -0.12 -0.77 -0.03 0.00 0.03 0.00 0.00 46.19 45.31 2jka s LEU 703 CO 0.06 -0.03 0.28 0.35 0.23 0.00 0.00 176.35 177.23 2jka n THR 704 N 0.60 0.00 0.58 5.49 -2.24 -1.26 -1.27 114.28 116.18 2jka n THR 704 Ca -0.16 -2.26 0.06 0.00 -2.27 0.00 0.00 64.05 59.42 2jka n THR 704 Cb 0.56 1.14 0.30 0.00 -2.10 0.00 0.00 70.33 70.23 2jka n THR 704 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2jka n ASN 705 N -1.75 0.00 -0.19 3.42 6.94 -1.26 -1.19 115.26 121.23 2jka n ASN 705 Ca 0.07 -0.02 0.11 0.00 -0.02 0.00 0.00 54.58 54.72 2jka n ASN 705 Cb 0.57 -0.20 0.07 0.00 -2.36 0.00 0.00 39.78 37.86 2jka n ASN 705 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2jka n LYS 706 N -1.20 0.50 -2.46 -3.83 4.76 -1.26 -3.57 118.16 111.09 2jka n LYS 706 Ca 0.06 -0.38 -0.33 0.00 -2.87 0.00 0.00 58.31 54.79 2jka n LYS 706 Cb 0.07 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.74 2jka n LYS 706 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2jka s SER 707 N -2.76 6.34 0.02 4.39 0.15 -0.33 -4.92 113.70 116.59 2jka s SER 707 Ca 0.14 1.83 0.01 0.00 0.70 0.00 0.00 55.95 58.64 2jka s SER 707 Cb 0.17 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.92 2jka s SER 707 CO 0.69 -0.78 -0.05 -0.54 1.20 0.00 0.00 173.24 173.76 2jka s LYS 708 N -3.50 0.38 -0.01 5.44 1.02 -1.26 -1.63 119.74 120.18 2jka s LYS 708 Ca 0.65 -0.58 -0.00 0.00 0.02 0.00 0.00 55.97 56.05 2jka s LYS 708 Cb -0.14 -0.09 0.01 0.00 -0.52 0.00 0.00 37.83 37.08 2jka s LYS 708 CO 0.24 0.00 0.02 -0.51 -0.92 0.00 0.00 175.35 174.18 2jka s LEU 709 N -1.28 1.71 -0.23 3.17 1.43 -0.46 -4.98 118.68 118.04 2jka s LEU 709 Ca -0.11 0.03 -0.10 0.00 -1.03 0.00 0.00 54.13 52.93 2jka s LEU 709 Cb -0.09 0.02 -0.05 0.00 0.03 0.00 0.00 46.19 46.11 2jka s LEU 709 CO -0.00 -0.04 0.13 0.21 0.23 0.00 0.00 176.35 176.88 2jka s ASN 710 N 0.30 5.89 0.02 2.29 2.47 -1.26 0.59 114.94 125.24 2jka s ASN 710 Ca -0.02 0.06 0.02 0.00 0.42 0.00 0.00 52.86 53.34 2jka s ASN 710 Cb -0.04 -2.06 -0.01 0.00 -1.45 0.00 0.00 41.25 37.69 2jka s ASN 710 CO -0.01 0.07 -0.07 -0.76 -3.72 0.00 0.00 177.10 172.61 2jka s LEU 711 N 1.02 2.14 -0.15 3.21 1.43 -0.31 -4.99 118.68 121.03 2jka s LEU 711 Ca 0.06 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 2jka s LEU 711 Cb -0.14 -0.26 0.01 0.00 0.03 0.00 0.00 46.19 45.83 2jka s LEU 711 CO 0.04 -0.06 -0.18 -2.28 0.23 0.00 0.00 176.35 174.09 2jka s HIS 712 N -0.77 2.73 -0.09 0.29 5.65 -1.26 -0.66 115.29 121.19 2jka s HIS 712 Ca -0.03 -1.23 -0.21 0.00 0.25 0.00 0.00 55.06 53.83 2jka s HIS 712 Cb -0.06 -1.86 -0.04 0.00 -1.18 0.00 0.00 32.58 29.44 2jka s HIS 712 CO 0.00 -0.57 0.62 0.00 -0.65 0.00 0.00 174.74 174.14 2jka s ALA 713 N 0.87 3.39 1.22 1.58 0.00 0.25 -4.55 121.76 124.52 2jka s ALA 713 Ca -0.05 0.01 -0.19 0.00 0.00 0.00 0.00 51.96 51.73 2jka s ALA 713 Cb -0.15 -2.84 0.29 0.00 0.00 0.00 0.00 23.12 20.42 2jka s ALA 713 CO -0.02 -0.07 1.09 0.00 0.00 0.00 0.00 175.76 176.76 2jka s ALA 714 N 0.75 0.46 -0.05 0.00 0.00 -1.26 -0.94 121.76 120.71 2jka s ALA 714 Ca 0.33 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 51.08 2jka s ALA 714 Cb -0.17 -2.90 -0.08 0.00 0.00 0.00 0.00 23.12 19.98 2jka s ALA 714 CO 0.15 -3.69 2.06 -0.80 0.00 0.00 0.00 175.76 173.48 2jka s ASN 715 N -3.80 6.10 -1.28 0.00 -0.87 -1.26 -0.26 114.94 113.58 2jka s ASN 715 Ca 0.71 2.42 0.00 0.00 -1.57 0.00 0.00 52.86 54.41 2jka s ASN 715 Cb -0.10 -2.52 0.00 0.00 -0.02 0.00 0.00 41.25 38.60 2jka s ASN 715 CO 0.56 -1.37 0.00 0.61 -2.57 0.00 0.00 177.10 174.34 2jka n GLY 716 N 4.97 0.19 0.00 0.66 0.00 -0.24 -2.04 105.19 108.73 2jka n GLY 716 Ca 0.23 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2jka n GLY 716 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jka n GLY 717 N -1.07 4.00 0.00 -0.02 0.00 0.65 -1.70 105.19 107.05 2jka n GLY 717 Ca -0.16 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.70 2jka n GLY 717 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jka n GLY 718 N 5.00 -0.57 3.66 -0.02 0.00 -1.26 -1.71 105.19 110.30 2jka n GLY 718 Ca 0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 2jka n GLY 718 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jka s TYR 719 N -3.12 -0.24 0.01 1.61 -0.85 -0.86 -3.52 117.35 110.39 2jka s TYR 719 Ca 0.00 -0.13 0.02 0.00 -0.52 0.00 0.00 57.07 56.44 2jka s TYR 719 Cb 0.00 0.58 -0.01 0.00 0.38 0.00 0.00 41.96 42.91 2jka s TYR 719 CO 0.00 -1.06 -0.07 0.00 -1.52 0.00 0.00 175.55 172.90 2jka s ALA 720 N -3.87 0.52 -0.04 9.51 0.00 0.22 -1.30 121.76 126.80 2jka s ALA 720 Ca 0.09 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.60 2jka s ALA 720 Cb -0.03 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.05 2jka s ALA 720 CO -0.00 0.07 -0.04 0.42 0.00 0.00 0.00 175.76 176.21 2jka s ILE 721 N -0.61 0.46 -0.14 0.00 1.01 0.15 -0.37 121.20 121.70 2jka s ILE 721 Ca -0.02 -0.08 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 2jka s ILE 721 Cb -0.05 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 2jka s ILE 721 CO 0.00 0.21 0.15 -0.94 0.00 0.00 0.00 174.94 174.36 2jka s SER 722 N 0.96 6.35 -0.37 3.58 1.04 -0.61 -0.90 113.70 123.74 2jka s SER 722 Ca -0.11 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.74 2jka s SER 722 Cb -0.14 -2.09 0.12 0.00 0.10 0.00 0.00 66.02 64.02 2jka s SER 722 CO -0.00 0.32 0.18 -0.63 0.98 0.00 0.00 173.24 174.10 2jka s ILE 723 N -0.54 0.85 -0.21 -1.02 1.01 0.37 -0.99 121.20 120.67 2jka s ILE 723 Ca 0.13 -1.91 -0.07 0.00 0.00 0.00 0.00 60.65 58.80 2jka s ILE 723 Cb -0.12 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 2jka s ILE 723 CO 0.02 -0.85 0.06 -0.54 0.00 0.00 0.00 174.94 173.64 2jka s LYS 724 N 1.00 3.83 0.29 2.79 1.02 -0.51 -0.77 119.74 127.39 2jka s LYS 724 Ca 0.15 -0.41 -0.30 0.00 0.02 0.00 0.00 55.97 55.43 2jka s LYS 724 Cb -0.22 -3.25 -0.11 0.00 -0.52 0.00 0.00 37.83 33.73 2jka s LYS 724 CO -0.09 0.08 1.55 -2.00 -0.92 0.00 0.00 175.35 173.97 2jka s GLU 725 N 0.89 4.16 0.00 1.68 2.12 -1.26 -0.21 118.70 126.08 2jka s GLU 725 Ca 0.04 2.50 0.07 0.00 0.36 0.00 0.00 54.97 57.94 2jka s GLU 725 Cb -0.14 -3.04 0.44 0.00 0.26 0.00 0.00 34.13 31.65 2jka s GLU 725 CO 0.03 -0.57 0.90 0.28 -0.54 0.00 0.00 175.26 175.35