#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 2.07 0.01 3.69 -1.52 0.16 -4.98 119.66 119.10 2jka s GLN 23 Ca 0.00 -1.25 0.06 0.00 -1.95 0.00 0.00 55.36 52.22 2jka s GLN 23 Cb 0.00 -2.17 -0.02 0.00 -0.22 0.00 0.00 33.01 30.60 2jka s GLN 23 CO 0.00 0.44 -0.18 0.15 -0.25 0.00 0.00 175.29 175.45 2jka s LYS 24 N -2.79 1.36 -0.02 2.91 3.01 -1.26 -0.75 119.74 122.19 2jka s LYS 24 Ca 0.25 -0.71 0.02 0.00 -1.01 0.00 0.00 55.97 54.51 2jka s LYS 24 Cb -0.09 -1.36 0.00 0.00 -1.01 0.00 0.00 37.83 35.38 2jka s LYS 24 CO 0.15 0.36 -0.06 -1.17 0.51 0.00 0.00 175.35 175.14 2jka s LEU 25 N -0.67 1.80 0.07 3.17 2.96 0.19 -5.00 118.68 121.19 2jka s LEU 25 Ca 0.06 -0.12 0.09 0.00 -0.22 0.00 0.00 54.13 53.94 2jka s LEU 25 Cb -0.07 -0.38 -0.03 0.00 0.50 0.00 0.00 46.19 46.21 2jka s LEU 25 CO 0.00 0.04 -0.24 -0.89 -1.32 0.00 0.00 176.35 173.94 2jka s THR 26 N 0.18 1.95 0.71 3.68 2.01 -1.26 -0.23 115.64 122.68 2jka s THR 26 Ca -0.02 -1.41 -0.14 0.00 0.31 0.00 0.00 61.69 60.43 2jka s THR 26 Cb -0.06 -1.70 0.03 0.00 0.01 0.00 0.00 72.50 70.78 2jka s THR 26 CO -0.00 0.21 1.15 -0.94 -0.69 0.00 0.00 174.62 174.35 2jka s SER 27 N -1.45 4.54 0.31 3.53 1.04 -0.52 -4.66 113.70 116.50 2jka s SER 27 Ca 0.10 2.14 0.07 0.00 0.48 0.00 0.00 55.95 58.74 2jka s SER 27 Cb -0.10 -2.56 0.80 0.00 0.10 0.00 0.00 66.02 64.26 2jka s SER 27 CO 0.03 -2.02 1.77 -0.65 0.98 0.00 0.00 173.24 173.35 2jka h PRO 28 N -0.33 0.68 0.00 4.02 0.11 -1.86 0.18 132.00 134.80 2jka h PRO 28 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2jka h PRO 28 Cb 1.27 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2jka h PRO 28 CO 0.51 0.45 0.00 -0.40 -0.21 0.00 0.00 178.00 178.35 2jka n ASP 29 N -4.79 0.36 0.00 -2.05 5.75 -1.26 -4.88 116.55 109.68 2jka n ASP 29 Ca 0.24 0.54 0.00 0.00 -0.01 0.00 0.00 54.79 55.56 2jka n ASP 29 Cb 0.63 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2jka n ASP 29 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2jka n ASN 30 N -1.84 0.00 0.20 -1.12 4.13 0.64 -4.89 115.26 112.37 2jka n ASN 30 Ca 0.06 0.00 0.07 0.00 1.68 0.00 0.00 54.58 56.39 2jka n ASN 30 Cb 0.37 0.00 0.40 0.00 -1.54 0.00 0.00 39.78 39.00 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 -3.73 6.41 2.35 -1.90 -3.45 115.58 115.27 2jka h ASN 31 Ca 0.00 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 55.07 2jka h ASN 31 Cb 0.00 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 38.18 2jka h ASN 31 CO 0.00 0.32 -0.74 -0.76 -1.65 0.00 0.00 177.43 174.59 2jka s LEU 32 N -7.08 2.96 -0.04 1.61 1.02 -1.26 -0.82 118.68 115.07 2jka s LEU 32 Ca -0.00 -0.28 -0.00 0.00 0.02 0.00 0.00 54.13 53.87 2jka s LEU 32 Cb 0.11 -1.72 0.03 0.00 0.02 0.00 0.00 46.19 44.63 2jka s LEU 32 CO 0.67 0.26 0.00 -0.69 0.02 0.00 0.00 176.35 176.61 2jka s VAL 33 N -1.01 0.21 -0.22 -1.59 1.01 -0.70 -1.44 120.40 116.67 2jka s VAL 33 Ca 0.17 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.20 2jka s VAL 33 Cb -0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 2jka s VAL 33 CO 0.08 0.17 0.01 -0.32 0.00 0.00 0.00 175.10 175.04 2jka s MET 34 N 1.26 3.58 -0.17 2.72 1.75 0.68 -1.47 119.30 127.65 2jka s MET 34 Ca -0.06 -0.53 -0.06 0.00 -1.25 0.00 0.00 55.69 53.78 2jka s MET 34 Cb -0.13 -3.14 -0.04 0.00 2.84 0.00 0.00 34.83 34.36 2jka s MET 34 CO -0.02 -0.10 0.04 0.99 -0.65 0.00 0.00 175.02 175.28 2jka s THR 35 N 1.29 4.61 -0.02 10.11 2.01 -0.65 -0.64 115.64 132.35 2jka s THR 35 Ca 0.04 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 61.99 2jka s THR 35 Cb -0.15 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 2jka s THR 35 CO 0.01 0.48 -0.18 0.12 -0.69 0.00 0.00 174.62 174.36 2jka s PHE 36 N 0.27 2.57 0.13 4.92 5.36 0.07 -1.26 117.98 130.04 2jka s PHE 36 Ca 0.02 -0.25 -0.20 0.00 -0.96 0.00 0.00 56.93 55.54 2jka s PHE 36 Cb -0.13 -1.55 0.05 0.00 -0.34 0.00 0.00 43.02 41.05 2jka s PHE 36 CO 0.01 0.15 0.50 1.14 -1.46 0.00 0.00 175.22 175.56 2jka s GLN 37 N -0.88 1.15 -0.20 10.12 -2.07 -0.57 0.38 119.66 127.59 2jka s GLN 37 Ca 0.12 -0.54 -0.09 0.00 -1.82 0.00 0.00 55.36 53.03 2jka s GLN 37 Cb -0.10 0.52 -0.05 0.00 -1.09 0.00 0.00 33.01 32.29 2jka s GLN 37 CO 0.01 -0.47 0.11 0.08 -1.32 0.00 0.00 175.29 173.70 2jka s VAL 38 N -3.57 5.19 0.00 3.63 1.01 -1.26 -0.10 120.40 125.29 2jka s VAL 38 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2jka s VAL 38 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.02 2jka s VAL 38 CO -0.11 0.44 0.00 -0.90 0.00 0.00 0.00 175.10 174.53 2jka n ASP 39 N 3.62 0.00 -0.09 3.32 5.68 -0.37 -4.87 116.55 123.85 2jka n ASP 39 Ca -0.16 -0.78 -0.04 0.00 -0.50 0.00 0.00 54.79 53.31 2jka n ASP 39 Cb 0.52 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.67 2jka n ASP 39 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2jka h SER 40 N 0.00 0.72 -0.05 -1.12 4.64 -1.99 -1.60 113.55 114.15 2jka h SER 40 Ca 0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2jka h SER 40 Cb 0.00 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 2jka h SER 40 CO 0.00 0.80 0.00 2.29 -0.87 0.00 0.00 176.83 179.05 2jka n LYS 41 N -4.22 1.19 -1.70 4.77 2.85 -1.26 -4.88 118.16 114.90 2jka n LYS 41 Ca 0.02 -0.20 -0.17 0.00 -1.05 0.00 0.00 58.31 56.91 2jka n LYS 41 Cb 0.30 -1.25 -0.06 0.00 -0.65 0.00 0.00 35.03 33.37 2jka n LYS 41 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2jka n GLY 42 N 0.36 1.16 3.72 2.58 0.00 -0.60 -1.25 105.19 111.16 2jka n GLY 42 Ca 0.02 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.68 3.32 0.10 4.61 0.00 -1.26 -1.39 121.76 124.46 2jka s ALA 43 Ca 0.00 0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.86 2jka s ALA 43 Cb 0.00 -3.00 -0.06 0.00 0.00 0.00 0.00 23.12 20.06 2jka s ALA 43 CO 0.00 -0.09 1.14 -2.14 0.00 0.00 0.00 175.76 174.67 2jka s PRO 44 N 0.69 4.50 0.07 0.00 0.02 -1.26 -1.23 135.00 137.78 2jka s PRO 44 Ca 0.39 1.72 0.02 0.00 0.02 0.00 0.00 61.00 63.15 2jka s PRO 44 Cb -0.18 -3.33 -0.03 0.00 0.02 0.00 0.00 34.50 30.97 2jka s PRO 44 CO 0.20 -0.12 -0.08 0.95 -0.33 0.00 0.00 177.00 177.62 2jka s THR 45 N 0.57 0.65 0.12 0.99 -4.23 0.85 -0.85 115.64 113.74 2jka s THR 45 Ca 0.55 -1.42 0.01 0.00 -1.18 0.00 0.00 61.69 59.65 2jka s THR 45 Cb -0.29 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.47 2jka s THR 45 CO 0.31 -0.55 -0.01 -0.72 -0.54 0.00 0.00 174.62 173.11 2jka s TYR 46 N -2.21 0.94 0.18 3.99 -0.85 -0.48 -1.52 117.35 117.40 2jka s TYR 46 Ca -0.01 -1.04 -0.15 0.00 -0.52 0.00 0.00 57.07 55.35 2jka s TYR 46 Cb -0.04 -0.55 0.02 0.00 0.38 0.00 0.00 41.96 41.76 2jka s TYR 46 CO -0.01 -0.28 0.43 -1.83 -1.52 0.00 0.00 175.55 172.33 2jka s GLU 47 N -3.92 1.27 -0.07 -3.49 -1.05 -0.39 -1.24 118.70 109.81 2jka s GLU 47 Ca 0.18 -0.94 -0.04 0.00 -0.15 0.00 0.00 54.97 54.02 2jka s GLU 47 Cb 0.06 0.47 0.03 0.00 -0.44 0.00 0.00 34.13 34.26 2jka s GLU 47 CO -0.01 -0.51 0.17 -1.17 0.95 0.00 0.00 175.26 174.69 2jka s LEU 48 N -2.89 0.84 0.23 1.83 2.96 -0.58 -1.64 118.68 119.42 2jka s LEU 48 Ca 0.11 0.35 0.12 0.00 -0.22 0.00 0.00 54.13 54.48 2jka s LEU 48 Cb 0.01 0.48 -0.05 0.00 0.50 0.00 0.00 46.19 47.14 2jka s LEU 48 CO -0.03 -0.13 -0.22 0.42 -1.32 0.00 0.00 176.35 175.07 2jka s THR 49 N 0.89 2.44 -0.05 3.68 -4.23 -0.54 -0.21 115.64 117.61 2jka s THR 49 Ca -0.07 -2.17 -0.01 0.00 -1.18 0.00 0.00 61.69 58.26 2jka s THR 49 Cb -0.08 -2.21 0.03 0.00 1.34 0.00 0.00 72.50 71.57 2jka s THR 49 CO -0.05 -0.23 0.03 -0.47 -0.54 0.00 0.00 174.62 173.36 2jka s TYR 50 N -2.00 0.37 -1.49 3.99 5.04 0.10 -1.72 117.35 121.65 2jka s TYR 50 Ca 0.24 0.03 -0.01 0.00 -2.44 0.00 0.00 57.07 54.89 2jka s TYR 50 Cb -0.07 -0.62 0.01 0.00 0.35 0.00 0.00 41.96 41.64 2jka s TYR 50 CO 0.12 -0.25 0.25 1.63 -1.34 0.00 0.00 175.55 175.97 2jka n LYS 51 N 5.08 -2.19 -1.26 4.97 5.02 -0.00 0.37 118.16 130.15 2jka n LYS 51 Ca -0.08 0.26 -0.09 0.00 -2.02 0.00 0.00 58.31 56.38 2jka n LYS 51 Cb 0.50 -4.14 -0.04 0.00 -0.02 0.00 0.00 35.03 31.33 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 -2.92 -5.76 -4.77 4.39 5.03 -1.26 -5.00 115.26 104.98 2jka n ASN 52 Ca -0.29 0.22 -0.33 0.00 0.87 0.00 0.00 54.58 55.04 2jka n ASN 52 Cb 0.68 -4.04 -0.07 0.00 -1.02 0.00 0.00 39.78 35.33 2jka n ASN 52 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2jka s LYS 53 N -2.73 3.05 0.05 3.52 1.02 0.16 -5.08 119.74 119.73 2jka s LYS 53 Ca 0.00 -0.47 -0.30 0.00 0.02 0.00 0.00 55.97 55.21 2jka s LYS 53 Cb 0.00 -2.85 -0.05 0.00 -0.52 0.00 0.00 37.83 34.40 2jka s LYS 53 CO 0.00 0.66 1.17 0.08 -0.92 0.00 0.00 175.35 176.34 2jka s VAL 54 N -1.15 4.14 -0.13 3.17 1.01 -1.26 0.02 120.40 126.20 2jka s VAL 54 Ca 0.21 1.53 -0.10 0.00 0.00 0.00 0.00 61.98 63.63 2jka s VAL 54 Cb -0.12 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.22 2jka s VAL 54 CO 0.12 0.11 -0.23 0.52 0.00 0.00 0.00 175.10 175.63 2jka n VAL 55 N 3.95 1.19 -3.94 2.92 0.31 0.70 -4.78 118.33 118.68 2jka n VAL 55 Ca 0.09 -0.02 -0.35 0.00 -0.01 0.00 0.00 64.34 64.04 2jka n VAL 55 Cb 0.47 -1.90 -0.14 0.00 -0.91 0.00 0.00 33.84 31.36 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 -2.45 3.39 0.81 2.52 -1.09 -0.74 -4.26 121.20 119.38 2jka s ILE 56 Ca -0.22 -0.49 -0.11 0.00 -2.23 0.00 0.00 60.65 57.59 2jka s ILE 56 Cb 0.06 -2.54 0.08 0.00 -1.58 0.00 0.00 42.46 38.49 2jka s ILE 56 CO 0.30 0.43 1.10 -0.54 -1.23 0.00 0.00 174.94 174.99 2jka s LYS 57 N 1.43 1.94 -0.07 2.79 1.02 0.68 -1.53 119.74 125.99 2jka s LYS 57 Ca 0.05 0.69 -0.40 0.00 0.02 0.00 0.00 55.97 56.33 2jka s LYS 57 Cb -0.14 -1.90 -0.19 0.00 -0.52 0.00 0.00 37.83 35.08 2jka s LYS 57 CO -0.03 -1.73 1.30 -2.30 -0.92 0.00 0.00 175.35 171.67 2jka n PRO 58 N -3.52 0.48 -3.80 -1.68 -0.02 -1.26 -4.28 135.00 120.92 2jka n PRO 58 Ca 0.07 0.17 -0.14 0.00 -2.02 0.00 0.00 63.50 61.59 2jka n PRO 58 Cb 0.56 -1.74 -0.15 0.00 -0.02 0.00 0.00 33.50 32.15 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 0.96 0.00 0.52 2.55 0.01 -0.37 -4.76 113.70 112.62 2jka s SER 59 Ca 0.92 0.09 -0.20 0.00 1.31 0.00 0.00 55.95 58.07 2jka s SER 59 Cb -1.18 0.02 -0.06 0.00 0.21 0.00 0.00 66.02 65.00 2jka s SER 59 CO 0.58 -0.09 1.12 0.42 0.41 0.00 0.00 173.24 175.69 2jka s THR 60 N 0.69 3.25 0.03 1.44 -4.23 -1.26 -1.39 115.64 114.18 2jka s THR 60 Ca -0.06 0.80 0.05 0.00 -1.18 0.00 0.00 61.69 61.31 2jka s THR 60 Cb -0.08 -3.34 -0.02 0.00 1.34 0.00 0.00 72.50 70.40 2jka s THR 60 CO -0.02 -0.15 -0.16 -0.76 -0.54 0.00 0.00 174.62 172.99 2jka s LEU 61 N -3.63 2.14 0.00 4.79 1.43 -0.03 -1.81 118.68 121.56 2jka s LEU 61 Ca 0.71 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 2jka s LEU 61 Cb -0.23 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.27 2jka s LEU 61 CO 0.27 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.55 2jka n GLY 62 N 2.08 1.36 3.04 -3.19 0.00 -1.21 -4.26 105.19 103.02 2jka n GLY 62 Ca -0.17 -1.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 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 2.30 -0.13 0.99 1.02 -0.66 0.46 118.68 122.67 2jka s LEU 63 Ca 0.00 -0.63 -0.04 0.00 0.02 0.00 0.00 54.13 53.49 2jka s LEU 63 Cb 0.00 -0.01 -0.03 0.00 0.02 0.00 0.00 46.19 46.17 2jka s LEU 63 CO 0.00 -0.31 0.02 -0.70 0.02 0.00 0.00 176.35 175.37 2jka s GLU 64 N -2.02 3.40 0.18 1.70 2.12 0.41 -1.46 118.70 123.04 2jka s GLU 64 Ca -0.08 -0.40 0.04 0.00 0.36 0.00 0.00 54.97 54.89 2jka s GLU 64 Cb -0.06 -2.95 -0.03 0.00 0.26 0.00 0.00 34.13 31.35 2jka s GLU 64 CO -0.02 0.51 0.30 -0.51 -0.54 0.00 0.00 175.26 175.00 2jka s LEU 65 N -0.34 4.30 0.31 2.70 1.43 0.59 0.09 118.68 127.76 2jka s LEU 65 Ca 0.07 0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 53.00 2jka s LEU 65 Cb -0.12 -2.86 -0.10 0.00 0.03 0.00 0.00 46.19 43.14 2jka s LEU 65 CO 0.02 0.01 1.21 -0.75 0.23 0.00 0.00 176.35 177.07 2jka s LYS 66 N -3.50 4.49 0.27 1.70 2.20 0.90 -4.52 119.74 121.28 2jka s LYS 66 Ca 0.34 2.02 -0.30 0.00 -0.36 0.00 0.00 55.97 57.68 2jka s LYS 66 Cb -0.10 -3.13 -0.10 0.00 -1.51 0.00 0.00 37.83 32.99 2jka s LYS 66 CO 0.28 0.00 1.47 0.21 -0.36 0.00 0.00 175.35 176.96 2jka s LYS 67 N -1.61 4.22 0.02 4.03 2.20 -1.26 -4.76 119.74 122.58 2jka s LYS 67 Ca 0.47 2.39 -0.19 0.00 -0.36 0.00 0.00 55.97 58.27 2jka s LYS 67 Cb -0.36 -3.07 -0.11 0.00 -1.51 0.00 0.00 37.83 32.78 2jka s LYS 67 CO 0.47 -0.47 1.12 0.93 -0.36 0.00 0.00 175.35 177.05 2jka h GLU 68 N 4.74 -0.66 -1.25 4.03 5.08 -1.98 -3.52 114.58 121.01 2jka h GLU 68 Ca -0.47 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2jka h GLU 68 Cb 1.22 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2jka h GLU 68 CO 0.76 -0.44 0.00 -0.11 -1.00 0.00 0.00 179.01 178.22 2jka n LEU 86 N -4.11 0.00 -0.03 1.33 7.94 -1.26 -5.23 117.00 115.64 2jka n LEU 86 Ca -0.09 0.42 -0.17 0.00 -1.11 0.00 0.00 56.01 55.07 2jka n LEU 86 Cb 0.27 -0.63 -0.08 0.00 0.53 0.00 0.00 43.42 43.52 2jka n LEU 86 CO 0.21 -0.01 0.32 0.44 -1.11 0.00 0.00 177.39 177.24 2jka h ASP 87 N 0.89 0.80 0.45 1.96 3.32 -2.03 -3.34 116.42 118.47 2jka h ASP 87 Ca 0.00 -0.63 -0.05 0.00 0.02 0.00 0.00 57.03 56.37 2jka h ASP 87 Cb 0.00 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 2jka h ASP 87 CO 0.00 1.30 -0.23 0.77 -1.72 0.00 0.00 179.24 179.36 2jka h SER 88 N 0.35 0.00 0.14 6.45 4.64 -1.97 -1.45 113.55 121.71 2jka h SER 88 Ca -0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2jka h SER 88 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2jka h SER 88 CO 0.13 0.23 -0.01 0.11 -0.87 0.00 0.00 176.83 176.42 2jka h LYS 89 N 0.00 0.00 0.00 4.77 1.57 -1.94 -2.10 116.57 118.87 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 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2jka h LYS 89 CO 0.03 0.01 0.00 1.79 -0.57 0.00 0.00 179.45 180.71 2jka h THR 90 N 0.00 0.00 -3.07 -0.16 1.35 -1.45 -3.42 112.91 106.16 2jka h THR 90 Ca -0.00 -0.35 -0.64 0.00 -0.55 0.00 0.00 66.41 64.86 2jka h THR 90 Cb 0.09 1.20 -0.15 0.00 -1.73 0.00 0.00 68.15 67.56 2jka h THR 90 CO 0.00 0.00 0.37 0.21 -0.25 0.00 0.00 175.52 175.85 2jka s ASN 91 N -4.49 6.25 -0.30 5.36 3.84 -0.79 -0.30 114.94 124.51 2jka s ASN 91 Ca 0.06 -0.75 0.07 0.00 0.21 0.00 0.00 52.86 52.46 2jka s ASN 91 Cb 0.10 -2.38 0.46 0.00 -0.55 0.00 0.00 41.25 38.88 2jka s ASN 91 CO 0.48 -1.17 1.29 -0.11 -2.79 0.00 0.00 177.10 174.80 2jka n LEU 92 N 7.04 4.61 0.00 3.21 7.94 -0.53 -4.77 117.00 134.49 2jka n LEU 92 Ca -0.03 -4.45 0.00 0.00 -1.11 0.00 0.00 56.01 50.42 2jka n LEU 92 Cb 0.46 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2jka n LEU 92 CO 0.60 1.83 -0.34 0.00 -1.11 0.00 0.00 177.39 178.38 2jka n TYR 93 N -0.85 0.00 -3.93 1.96 0.18 -1.11 -1.65 117.16 111.76 2jka n TYR 93 Ca 0.39 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 60.12 2jka n TYR 93 Cb 0.89 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.84 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 -1.24 -0.32 -0.45 9.48 5.68 -1.26 -4.22 116.55 124.21 2jka n ASP 94 Ca 0.00 -1.66 -0.04 0.00 -0.50 0.00 0.00 54.79 52.59 2jka n ASP 94 Cb 0.15 0.66 -0.01 0.00 -1.14 0.00 0.00 41.12 40.78 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 -0.19 0.36 3.93 6.12 0.00 -0.38 -4.89 105.19 110.13 2jka n GLY 95 Ca 0.02 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.20 3.48 0.03 1.61 0.08 -0.48 -4.04 117.98 116.46 2jka s PHE 96 Ca 0.00 0.38 0.04 0.00 0.12 0.00 0.00 56.93 57.46 2jka s PHE 96 Cb 0.00 -1.89 -0.02 0.00 -0.57 0.00 0.00 43.02 40.54 2jka s PHE 96 CO 0.00 0.31 -0.11 -1.83 -0.10 0.00 0.00 175.22 173.49 2jka s GLU 97 N -3.54 0.74 -0.25 0.44 -1.05 0.84 -4.51 118.70 111.38 2jka s GLU 97 Ca 0.39 -0.63 -0.28 0.00 -0.15 0.00 0.00 54.97 54.30 2jka s GLU 97 Cb -0.11 -0.69 -0.04 0.00 -0.44 0.00 0.00 34.13 32.86 2jka s GLU 97 CO 0.30 0.17 1.95 0.08 0.95 0.00 0.00 175.26 178.71 2jka s VAL 98 N -0.81 3.29 -0.12 1.83 1.01 -1.26 -0.33 120.40 124.01 2jka s VAL 98 Ca -0.01 0.31 0.17 0.00 0.00 0.00 0.00 61.98 62.44 2jka s VAL 98 Cb -0.07 -3.36 -0.23 0.00 0.00 0.00 0.00 36.38 32.72 2jka s VAL 98 CO 0.01 -0.21 0.45 1.17 0.00 0.00 0.00 175.10 176.52 2jka n LYS 99 N 8.40 0.65 -3.51 2.72 4.81 0.82 -4.94 118.16 127.12 2jka n LYS 99 Ca 0.25 0.12 -0.16 0.00 -0.87 0.00 0.00 58.31 57.64 2jka n LYS 99 Cb 0.45 -1.67 -0.05 0.00 0.02 0.00 0.00 35.03 33.79 2jka n LYS 99 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2jka s ASP 100 N -5.64 -0.63 0.02 3.14 2.15 -1.16 -5.00 116.67 109.55 2jka s ASP 100 Ca -0.07 0.57 0.03 0.00 0.43 0.00 0.00 52.55 53.51 2jka s ASP 100 Cb 0.08 0.54 -0.01 0.00 -0.30 0.00 0.00 42.92 43.22 2jka s ASP 100 CO 0.83 -0.66 -0.09 0.42 -0.17 0.00 0.00 175.17 175.50 2jka s THR 101 N -1.66 0.70 0.04 1.71 -4.23 -1.26 -0.62 115.64 110.33 2jka s THR 101 Ca -0.08 -0.68 0.03 0.00 -1.18 0.00 0.00 61.69 59.78 2jka s THR 101 Cb -0.00 -0.65 -0.02 0.00 1.34 0.00 0.00 72.50 73.17 2jka s THR 101 CO 0.05 -0.02 -0.10 -1.10 -0.54 0.00 0.00 174.62 172.91 2jka s GLN 102 N -0.78 0.66 0.21 3.99 -0.21 0.06 -4.98 119.66 118.60 2jka s GLN 102 Ca -0.01 -0.75 0.08 0.00 0.02 0.00 0.00 55.36 54.71 2jka s GLN 102 Cb -0.06 -0.55 -0.05 0.00 1.00 0.00 0.00 33.01 33.35 2jka s GLN 102 CO 0.00 0.12 -0.16 0.95 -2.12 0.00 0.00 175.29 174.09 2jka s THR 103 N -1.13 1.82 0.00 -0.19 -4.23 -1.26 -0.26 115.64 110.39 2jka s THR 103 Ca -0.05 -2.18 -0.29 0.00 -1.18 0.00 0.00 61.69 58.00 2jka s THR 103 Cb -0.09 -2.03 0.10 0.00 1.34 0.00 0.00 72.50 71.82 2jka s THR 103 CO 0.01 -0.53 0.89 0.00 -0.54 0.00 0.00 174.62 174.45 2jka s ALA 104 N -2.76 -1.82 -0.04 3.99 0.00 -0.81 -4.99 121.76 115.33 2jka s ALA 104 Ca 0.22 0.98 0.04 0.00 0.00 0.00 0.00 51.96 53.20 2jka s ALA 104 Cb -0.02 0.43 -0.00 0.00 0.00 0.00 0.00 23.12 23.53 2jka s ALA 104 CO 0.08 -0.70 -0.16 0.99 0.00 0.00 0.00 175.76 175.97 2jka s THR 105 N -3.13 1.31 -0.03 0.00 2.01 -1.26 0.20 115.64 114.73 2jka s THR 105 Ca 0.05 -0.65 0.07 0.00 0.31 0.00 0.00 61.69 61.48 2jka s THR 105 Cb -0.01 -1.13 -0.02 0.00 0.01 0.00 0.00 72.50 71.35 2jka s THR 105 CO -0.09 0.38 -0.25 0.12 -0.69 0.00 0.00 174.62 174.10 2jka s PHE 106 N 0.09 2.30 -0.37 4.92 5.36 -0.47 -5.00 117.98 124.81 2jka s PHE 106 Ca -0.04 -0.54 0.05 0.00 -0.96 0.00 0.00 56.93 55.45 2jka s PHE 106 Cb -0.11 -1.49 0.17 0.00 -0.34 0.00 0.00 43.02 41.25 2jka s PHE 106 CO 0.02 -0.11 0.52 0.34 -1.46 0.00 0.00 175.22 174.53 2jka s ASP 107 N -0.41 -0.46 -0.01 6.13 -1.08 -1.24 -1.06 116.67 118.55 2jka s ASP 107 Ca 0.04 -0.87 -0.07 0.00 -0.52 0.00 0.00 52.55 51.14 2jka s ASP 107 Cb -0.11 1.43 0.00 0.00 -1.46 0.00 0.00 42.92 42.78 2jka s ASP 107 CO 0.01 -0.24 0.13 -1.61 0.52 0.00 0.00 175.17 173.98 2jka s GLU 108 N 1.92 0.42 -0.02 4.34 0.41 -0.92 -4.99 118.70 119.86 2jka s GLU 108 Ca 0.15 -0.29 -0.00 0.00 -0.41 0.00 0.00 54.97 54.41 2jka s GLU 108 Cb -0.09 0.18 -0.04 0.00 -1.78 0.00 0.00 34.13 32.40 2jka s GLU 108 CO -0.11 -0.09 0.04 0.95 -0.49 0.00 0.00 175.26 175.55 2jka s THR 109 N -1.11 4.44 0.12 3.63 -4.23 -1.26 -0.72 115.64 116.52 2jka s THR 109 Ca -0.12 -0.44 -0.01 0.00 -1.18 0.00 0.00 61.69 59.94 2jka s THR 109 Cb -0.06 -2.98 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 2jka s THR 109 CO 0.01 0.42 0.04 -1.66 -0.54 0.00 0.00 174.62 172.89 2jka s TRP 110 N -1.09 0.86 -0.17 3.99 1.48 0.20 -4.94 118.94 119.26 2jka s TRP 110 Ca 0.19 -1.20 0.01 0.00 -1.06 0.00 0.00 56.10 54.05 2jka s TRP 110 Cb -0.12 -0.49 0.01 0.00 -1.16 0.00 0.00 33.47 31.71 2jka s TRP 110 CO 0.10 -0.47 -0.18 -0.65 -4.06 0.00 0.00 176.95 171.68 2jka s GLN 111 N -4.02 3.08 0.61 3.25 -0.21 -1.26 -0.24 119.66 120.88 2jka s GLN 111 Ca 0.22 -0.80 -0.15 0.00 0.02 0.00 0.00 55.36 54.64 2jka s GLN 111 Cb 0.07 -2.58 -0.02 0.00 1.00 0.00 0.00 33.01 31.48 2jka s GLN 111 CO 0.01 -0.10 1.07 -1.25 -2.12 0.00 0.00 175.29 172.90 2jka s PRO 112 N 1.06 3.15 0.26 2.91 0.04 -1.26 -4.94 135.00 136.22 2jka s PRO 112 Ca -0.01 1.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.27 2jka s PRO 112 Cb -0.14 -2.01 0.33 0.00 0.04 0.00 0.00 34.50 32.72 2jka s PRO 112 CO -0.06 -0.95 1.76 0.28 0.04 0.00 0.00 177.00 178.07 2jka h VAL 113 N 0.30 1.24 -3.46 -0.36 2.07 -1.94 -3.44 116.25 110.65 2jka h VAL 113 Ca -0.47 -0.99 -0.14 0.00 0.82 0.00 0.00 66.70 65.92 2jka h VAL 113 Cb 1.23 0.86 -0.20 0.00 -1.52 0.00 0.00 31.29 31.65 2jka h VAL 113 CO 0.56 0.35 -0.46 -1.66 0.02 0.00 0.00 177.57 176.39 2jka s TRP 114 N -5.00 0.02 -0.29 1.57 1.48 -1.26 -5.05 118.94 110.40 2jka s TRP 114 Ca -0.10 -0.11 0.00 0.00 -1.06 0.00 0.00 56.10 54.84 2jka s TRP 114 Cb 0.15 -0.03 0.00 0.00 -1.16 0.00 0.00 33.47 32.43 2jka s TRP 114 CO 0.81 -0.31 0.00 0.41 -4.06 0.00 0.00 176.95 173.80 2jka n GLY 115 N 1.34 -1.24 0.08 3.67 0.00 -1.26 -4.98 105.19 102.80 2jka n GLY 115 Ca -0.22 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.10 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 0.25 -3.86 1.61 1.02 -1.26 -2.67 120.64 115.72 2jka n GLU 116 Ca 0.00 0.14 -0.10 0.00 -0.02 0.00 0.00 57.16 57.19 2jka n GLU 116 Cb 0.00 -1.72 -0.06 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 -3.12 1.24 0.18 3.49 1.03 -1.23 -2.80 118.70 117.50 2jka s GLU 117 Ca 0.09 -1.03 -0.05 0.00 0.03 0.00 0.00 54.97 54.01 2jka s GLU 117 Cb 0.13 0.44 0.06 0.00 -0.80 0.00 0.00 34.13 33.97 2jka s GLU 117 CO 0.65 -0.49 1.47 -0.22 -1.33 0.00 0.00 175.26 175.34 2jka h LYS 118 N 2.40 0.61 -4.48 -4.83 3.64 -1.10 -3.45 116.57 109.37 2jka h LYS 118 Ca -0.30 -0.40 -0.35 0.00 -1.27 0.00 0.00 60.65 58.33 2jka h LYS 118 Cb 1.24 0.05 -0.28 0.00 -0.41 0.00 0.00 32.23 32.83 2jka h LYS 118 CO 0.44 1.01 -0.76 -2.00 -2.27 0.00 0.00 179.45 175.87 2jka s GLU 119 N -3.98 0.54 -0.09 1.90 2.12 -1.26 -4.05 118.70 113.87 2jka s GLU 119 Ca -0.08 -0.27 0.04 0.00 0.36 0.00 0.00 54.97 55.02 2jka s GLU 119 Cb 0.11 -0.51 0.00 0.00 0.26 0.00 0.00 34.13 33.99 2jka s GLU 119 CO 0.85 0.14 -0.21 0.42 -0.54 0.00 0.00 175.26 175.92 2jka s ILE 120 N -0.22 1.81 -0.10 -3.70 1.01 0.67 -4.95 121.20 115.71 2jka s ILE 120 Ca 0.02 -0.87 -0.18 0.00 0.00 0.00 0.00 60.65 59.61 2jka s ILE 120 Cb -0.03 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 2jka s ILE 120 CO -0.00 0.50 0.48 -0.60 0.00 0.00 0.00 174.94 175.32 2jka s ARG 121 N 0.42 4.31 -0.50 2.79 3.52 -1.26 -0.63 118.95 127.60 2jka s ARG 121 Ca -0.18 0.46 -0.03 0.00 -0.13 0.00 0.00 55.73 55.86 2jka s ARG 121 Cb -0.17 -3.42 0.13 0.00 -1.56 0.00 0.00 34.95 29.93 2jka s ARG 121 CO 0.07 0.20 0.30 1.21 -0.81 0.00 0.00 175.30 176.28 2jka s ASN 122 N 0.48 5.23 -0.20 -2.12 2.47 0.11 -4.98 114.94 115.93 2jka s ASN 122 Ca 0.26 -2.38 -0.01 0.00 0.42 0.00 0.00 52.86 51.15 2jka s ASN 122 Cb -0.15 -1.84 0.06 0.00 -1.45 0.00 0.00 41.25 37.87 2jka s ASN 122 CO 0.11 -0.47 -0.00 -2.28 -3.72 0.00 0.00 177.10 170.74 2jka s HIS 123 N 0.63 1.49 0.08 0.43 2.46 -1.26 -2.16 115.29 116.96 2jka s HIS 123 Ca 0.12 -1.11 -0.12 0.00 0.47 0.00 0.00 55.06 54.42 2jka s HIS 123 Cb -0.22 -1.21 0.01 0.00 -0.13 0.00 0.00 32.58 31.03 2jka s HIS 123 CO -0.04 -0.65 0.26 1.52 -2.47 0.00 0.00 174.74 173.37 2jka s TYR 124 N 1.70 0.00 -0.12 3.88 -0.85 -0.22 -4.56 117.35 117.18 2jka s TYR 124 Ca -0.02 -0.32 -0.05 0.00 -0.52 0.00 0.00 57.07 56.16 2jka s TYR 124 Cb -0.17 0.05 -0.04 0.00 0.38 0.00 0.00 41.96 42.18 2jka s TYR 124 CO -0.07 -0.56 0.08 -0.80 -1.52 0.00 0.00 175.55 172.68 2jka s ASN 125 N -2.59 5.89 -0.01 -0.18 0.01 -0.44 -1.37 114.94 116.25 2jka s ASN 125 Ca 0.01 0.30 0.07 0.00 -0.71 0.00 0.00 52.86 52.53 2jka s ASN 125 Cb 0.02 -1.85 -0.02 0.00 0.41 0.00 0.00 41.25 39.81 2jka s ASN 125 CO -0.09 0.36 -0.22 -0.70 -1.51 0.00 0.00 177.10 174.94 2jka s GLU 126 N -0.75 2.15 -0.11 -0.60 2.12 0.13 -0.46 118.70 121.18 2jka s GLU 126 Ca 0.13 -0.91 0.02 0.00 0.36 0.00 0.00 54.97 54.57 2jka s GLU 126 Cb -0.12 -2.13 0.01 0.00 0.26 0.00 0.00 34.13 32.16 2jka s GLU 126 CO 0.03 0.57 -0.16 -1.17 -0.54 0.00 0.00 175.26 173.99 2jka s LEU 127 N -0.83 1.74 -0.14 2.70 2.96 -0.38 -1.93 118.68 122.80 2jka s LEU 127 Ca 0.11 -0.43 -0.00 0.00 -0.22 0.00 0.00 54.13 53.59 2jka s LEU 127 Cb -0.10 -1.09 -0.01 0.00 0.50 0.00 0.00 46.19 45.48 2jka s LEU 127 CO 0.01 0.02 -0.13 0.00 -1.32 0.00 0.00 176.35 174.93 2jka s ALA 128 N 0.93 2.61 -0.20 5.97 0.00 0.64 -0.21 121.76 131.51 2jka s ALA 128 Ca -0.08 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 50.98 2jka s ALA 128 Cb -0.15 -1.23 0.03 0.00 0.00 0.00 0.00 23.12 21.77 2jka s ALA 128 CO -0.01 0.20 -0.18 0.08 0.00 0.00 0.00 175.76 175.85 2jka s VAL 129 N 0.43 2.11 -0.23 0.00 1.01 -0.68 -0.76 120.40 122.28 2jka s VAL 129 Ca -0.10 -1.06 -0.22 0.00 0.00 0.00 0.00 61.98 60.60 2jka s VAL 129 Cb -0.16 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 2jka s VAL 129 CO 0.05 0.43 0.70 -0.89 0.00 0.00 0.00 175.10 175.39 2jka s THR 130 N 1.26 4.94 -0.16 3.92 2.01 0.21 -1.45 115.64 126.37 2jka s THR 130 Ca 0.02 1.31 -0.00 0.00 0.31 0.00 0.00 61.69 63.33 2jka s THR 130 Cb -0.14 -4.00 -0.00 0.00 0.01 0.00 0.00 72.50 68.36 2jka s THR 130 CO -0.11 0.02 -0.14 -0.76 -0.69 0.00 0.00 174.62 172.94 2jka s LEU 131 N 2.43 2.53 -0.06 4.42 1.43 0.07 -0.12 118.68 129.38 2jka s LEU 131 Ca 0.30 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 2jka s LEU 131 Cb -0.16 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 2jka s LEU 131 CO 0.09 0.08 -0.12 -0.47 0.23 0.00 0.00 176.35 176.16 2jka s TYR 132 N 0.87 2.79 -0.47 0.29 5.04 0.55 -1.56 117.35 124.86 2jka s TYR 132 Ca -0.04 -0.10 -0.00 0.00 -2.44 0.00 0.00 57.07 54.48 2jka s TYR 132 Cb -0.15 -1.66 0.12 0.00 0.35 0.00 0.00 41.96 40.62 2jka s TYR 132 CO -0.01 0.23 0.24 -1.14 -1.34 0.00 0.00 175.55 173.54 2jka s GLN 133 N -0.73 2.04 0.23 4.97 0.74 -0.03 -0.11 119.66 126.77 2jka s GLN 133 Ca 0.11 -2.15 -0.07 0.00 0.05 0.00 0.00 55.36 53.31 2jka s GLN 133 Cb -0.11 -3.51 0.36 0.00 1.10 0.00 0.00 33.01 30.86 2jka s GLN 133 CO 0.01 -1.08 1.75 -1.35 -0.55 0.00 0.00 175.29 174.07 2jka h PRO 134 N 7.44 0.49 -0.01 1.67 0.11 -1.86 0.11 132.00 139.96 2jka h PRO 134 Ca -0.07 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.01 2jka h PRO 134 Cb 0.99 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 2jka h PRO 134 CO 0.67 0.32 0.03 0.00 -0.21 0.00 0.00 178.00 178.81 2jka h MET 135 N 0.50 0.00 -0.01 1.05 -0.00 -1.94 -2.09 114.93 112.44 2jka h MET 135 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.06 2jka h MET 135 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.05 2jka h MET 135 CO -0.32 0.00 0.00 0.09 -0.00 0.00 0.00 176.91 176.68 2jka n ASN 136 N -3.34 1.26 -3.99 -0.10 5.03 -0.64 -4.97 115.26 108.51 2jka n ASN 136 Ca -0.03 -1.17 -0.26 0.00 0.87 0.00 0.00 54.58 54.00 2jka n ASN 136 Cb 0.11 -0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.83 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 0.08 -0.18 -3.85 6.41 2.03 0.30 -4.92 116.55 116.42 2jka n ASP 137 Ca 0.01 -1.03 -0.09 0.00 0.52 0.00 0.00 54.79 54.20 2jka n ASP 137 Cb 0.07 -2.91 -0.07 0.00 -0.72 0.00 0.00 41.12 37.49 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 -6.64 0.89 0.03 -0.67 1.70 -1.16 -4.62 118.95 108.49 2jka s ARG 138 Ca 0.00 -0.96 0.03 0.00 -0.47 0.00 0.00 55.73 54.34 2jka s ARG 138 Cb -0.00 0.36 -0.02 0.00 -0.57 0.00 0.00 34.95 34.72 2jka s ARG 138 CO 0.90 -0.29 -0.10 -1.12 -1.08 0.00 0.00 175.30 173.61 2jka s SER 139 N -2.87 1.15 0.32 -2.89 0.01 -1.26 -0.85 113.70 107.32 2jka s SER 139 Ca 0.06 -0.37 0.04 0.00 1.31 0.00 0.00 55.95 56.99 2jka s SER 139 Cb 0.04 -0.06 -0.06 0.00 0.21 0.00 0.00 66.02 66.15 2jka s SER 139 CO -0.10 -0.02 0.05 0.27 0.41 0.00 0.00 173.24 173.85 2jka s ILE 140 N -0.76 1.22 -0.05 1.44 -4.36 -0.60 -4.43 121.20 113.66 2jka s ILE 140 Ca -0.01 -2.01 0.05 0.00 -0.26 0.00 0.00 60.65 58.42 2jka s ILE 140 Cb -0.07 -2.77 -0.01 0.00 1.25 0.00 0.00 42.46 40.86 2jka s ILE 140 CO 0.01 -0.02 -0.21 -0.69 0.24 0.00 0.00 174.94 174.26 2jka s VAL 141 N -3.28 1.74 -0.26 8.37 1.01 -0.48 -0.75 120.40 126.75 2jka s VAL 141 Ca 0.36 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 2jka s VAL 141 Cb 0.08 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 2jka s VAL 141 CO 0.15 0.49 0.08 -0.63 0.00 0.00 0.00 175.10 175.19 2jka s ILE 142 N -0.12 4.28 -0.19 2.22 1.01 -0.53 0.33 121.20 128.20 2jka s ILE 142 Ca -0.02 -0.29 -0.08 0.00 0.00 0.00 0.00 60.65 60.26 2jka s ILE 142 Cb -0.12 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 2jka s ILE 142 CO 0.02 0.27 0.08 -0.60 0.00 0.00 0.00 174.94 174.71 2jka s ARG 143 N 1.60 4.02 -0.11 2.79 3.52 -0.66 -1.69 118.95 128.42 2jka s ARG 143 Ca 0.06 -0.32 0.02 0.00 -0.13 0.00 0.00 55.73 55.36 2jka s ARG 143 Cb -0.16 -3.27 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 2jka s ARG 143 CO 0.04 0.26 -0.16 -0.06 -0.81 0.00 0.00 175.30 174.57 2jka s PHE 144 N 0.42 2.73 -0.13 5.12 0.08 0.70 -1.64 117.98 125.25 2jka s PHE 144 Ca 0.04 -0.62 0.01 0.00 0.12 0.00 0.00 56.93 56.49 2jka s PHE 144 Cb -0.12 -1.77 0.02 0.00 -0.57 0.00 0.00 43.02 40.58 2jka s PHE 144 CO -0.00 -0.17 -0.16 1.03 -0.10 0.00 0.00 175.22 175.82 2jka s ARG 145 N 0.11 2.41 -0.20 0.44 0.52 0.12 -1.26 118.95 121.10 2jka s ARG 145 Ca -0.07 -0.62 -0.01 0.00 -0.52 0.00 0.00 55.73 54.51 2jka s ARG 145 Cb -0.15 -2.09 0.01 0.00 0.52 0.00 0.00 34.95 33.23 2jka s ARG 145 CO 0.05 -0.13 -0.13 -1.17 0.02 0.00 0.00 175.30 173.94 2jka s LEU 146 N 1.18 2.48 0.40 2.53 2.96 0.39 -0.84 118.68 127.77 2jka s LEU 146 Ca -0.01 -0.53 0.08 0.00 -0.22 0.00 0.00 54.13 53.44 2jka s LEU 146 Cb -0.14 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 2jka s LEU 146 CO -0.06 -0.01 0.39 -0.36 -1.32 0.00 0.00 176.35 175.00 2jka s PHE 147 N 1.35 2.79 0.18 5.38 0.08 0.53 -1.33 117.98 126.95 2jka s PHE 147 Ca 0.05 -0.42 0.35 0.00 0.12 0.00 0.00 56.93 57.03 2jka s PHE 147 Cb -0.14 -2.11 1.57 0.00 -0.57 0.00 0.00 43.02 41.77 2jka s PHE 147 CO -0.08 -0.09 2.04 -0.91 -0.10 0.00 0.00 175.22 176.08 2jka h ASN 148 N 1.01 0.00 -0.19 1.36 2.35 -1.94 -2.83 115.58 115.34 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 0.55 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 175.43 2jka n ASP 149 N -3.01 2.66 0.00 5.81 5.75 -1.26 -4.89 116.55 121.61 2jka n ASP 149 Ca -0.00 -2.18 0.00 0.00 -0.01 0.00 0.00 54.79 52.60 2jka n ASP 149 Cb 0.24 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 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 -0.09 -1.00 3.27 6.12 0.00 -1.07 -1.04 105.19 111.38 2jka n GLY 150 Ca 0.09 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 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 2.04 -0.02 0.99 2.96 -0.06 -0.35 118.68 124.25 2jka s LEU 151 Ca 0.00 -0.45 0.08 0.00 -0.22 0.00 0.00 54.13 53.54 2jka s LEU 151 Cb 0.00 -1.25 -0.02 0.00 0.50 0.00 0.00 46.19 45.42 2jka s LEU 151 CO 0.00 0.28 -0.25 -0.83 -1.32 0.00 0.00 176.35 174.23 2jka s GLY 152 N -0.45 1.21 0.03 7.98 0.00 -0.02 -0.37 107.32 115.70 2jka s GLY 152 Ca 0.06 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.72 2jka s GLY 152 CO 0.00 -0.88 -0.04 -0.11 0.00 0.00 0.00 173.10 172.06 2jka s PHE 153 N -0.58 0.44 0.19 1.90 -0.12 -0.31 -0.70 117.98 118.80 2jka s PHE 153 Ca 0.09 -0.63 -0.10 0.00 -0.05 0.00 0.00 56.93 56.24 2jka s PHE 153 Cb -0.10 -0.29 -0.01 0.00 -0.63 0.00 0.00 43.02 42.00 2jka s PHE 153 CO -0.01 -0.19 0.35 -0.98 -0.05 0.00 0.00 175.22 174.34 2jka s ARG 154 N -2.01 1.29 -0.03 1.99 1.70 -0.65 0.45 118.95 121.69 2jka s ARG 154 Ca -0.09 -1.20 -0.00 0.00 -0.47 0.00 0.00 55.73 53.97 2jka s ARG 154 Cb -0.06 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.69 2jka s ARG 154 CO -0.02 -0.50 0.02 0.71 -1.08 0.00 0.00 175.30 174.43 2jka s TYR 155 N -3.99 3.16 -0.03 5.89 2.02 -1.26 -1.65 117.35 121.49 2jka s TYR 155 Ca 0.19 0.16 0.06 0.00 -0.37 0.00 0.00 57.07 57.11 2jka s TYR 155 Cb 0.02 -1.73 -0.01 0.00 -0.40 0.00 0.00 41.96 39.84 2jka s TYR 155 CO 0.03 0.49 -0.21 -1.21 -1.57 0.00 0.00 175.55 173.08 2jka s GLU 156 N -1.36 1.95 -0.47 -0.62 2.02 0.15 -0.43 118.70 119.95 2jka s GLU 156 Ca 0.18 -0.75 0.04 0.00 0.02 0.00 0.00 54.97 54.45 2jka s GLU 156 Cb -0.12 -1.76 0.12 0.00 0.10 0.00 0.00 34.13 32.48 2jka s GLU 156 CO 0.08 0.38 0.21 -0.06 0.02 0.00 0.00 175.26 175.89 2jka s PHE 157 N -0.26 3.06 0.59 1.61 0.08 0.80 -1.38 117.98 122.48 2jka s PHE 157 Ca 0.02 -2.98 -0.20 0.00 0.12 0.00 0.00 56.93 53.89 2jka s PHE 157 Cb -0.11 -2.66 -0.03 0.00 -0.57 0.00 0.00 43.02 39.65 2jka s PHE 157 CO 0.01 -0.79 1.31 -2.14 -0.10 0.00 0.00 175.22 173.51 2jka s PRO 158 N 0.10 2.92 0.28 0.24 0.02 -1.26 -2.16 135.00 135.14 2jka s PRO 158 Ca 0.16 2.11 -0.30 0.00 0.02 0.00 0.00 61.00 62.98 2jka s PRO 158 Cb -0.24 -2.07 -0.11 0.00 0.02 0.00 0.00 34.50 32.11 2jka s PRO 158 CO -0.02 -1.32 1.51 -1.14 -0.33 0.00 0.00 177.00 175.69 2jka s GLN 159 N -3.13 4.19 0.02 5.54 0.74 -1.26 -4.77 119.66 120.98 2jka s GLN 159 Ca 0.76 2.45 -0.29 0.00 0.05 0.00 0.00 55.36 58.33 2jka s GLN 159 Cb -0.38 -3.05 0.10 0.00 1.10 0.00 0.00 33.01 30.78 2jka s GLN 159 CO 0.42 -0.52 1.06 1.14 -0.55 0.00 0.00 175.29 176.85 2jka s GLN 160 N -0.67 0.77 0.32 1.67 -2.07 -1.24 -4.99 119.66 113.44 2jka s GLN 160 Ca 0.60 -0.38 0.07 0.00 -1.82 0.00 0.00 55.36 53.83 2jka s GLN 160 Cb -0.45 0.29 0.75 0.00 -1.09 0.00 0.00 33.01 32.51 2jka s GLN 160 CO 0.48 -0.35 1.81 -0.22 -1.32 0.00 0.00 175.29 175.69 2jka h LYS 161 N 2.00 0.74 0.00 9.60 3.11 -1.93 -3.06 116.57 127.03 2jka h LYS 161 Ca -0.23 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 57.56 2jka h LYS 161 Cb 1.22 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 32.27 2jka h LYS 161 CO 0.27 0.49 -0.30 0.43 -2.81 0.00 0.00 179.45 177.53 2jka n SER 162 N -4.69 1.94 -3.38 4.20 7.64 -1.26 -4.84 113.62 113.24 2jka n SER 162 Ca 0.22 -3.48 -0.13 0.00 1.01 0.00 0.00 58.87 56.48 2jka n SER 162 Cb 0.54 -0.48 -0.09 0.00 -1.01 0.00 0.00 64.21 63.17 2jka n SER 162 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2jka s LEU 163 N -2.96 -0.46 0.00 -3.43 2.96 -1.16 -4.89 118.68 108.74 2jka s LEU 163 Ca 0.35 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.96 2jka s LEU 163 Cb 0.33 0.81 0.00 0.00 0.50 0.00 0.00 46.19 47.82 2jka s LEU 163 CO -0.03 -0.34 0.00 -0.46 -1.32 0.00 0.00 176.35 174.20 2jka n ASN 164 N 5.34 0.00 -4.74 3.68 0.23 -1.26 -3.69 115.26 114.82 2jka n ASN 164 Ca -0.02 0.00 -0.38 0.00 -0.53 0.00 0.00 54.58 53.64 2jka n ASN 164 Cb 0.49 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.13 2jka n ASN 164 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 2jka s TYR 165 N -0.41 3.55 0.07 -2.53 2.02 -1.26 -1.12 117.35 117.68 2jka s TYR 165 Ca 0.00 0.95 -0.18 0.00 -0.37 0.00 0.00 57.07 57.48 2jka s TYR 165 Cb 0.00 -2.55 0.04 0.00 -0.40 0.00 0.00 41.96 39.05 2jka s TYR 165 CO 0.00 0.22 0.41 -0.59 -1.57 0.00 0.00 175.55 174.03 2jka s PHE 166 N 0.40 -0.25 -0.10 2.71 -0.12 -0.64 -5.03 117.98 114.95 2jka s PHE 166 Ca 0.27 0.12 0.04 0.00 -0.05 0.00 0.00 56.93 57.31 2jka s PHE 166 Cb -0.16 0.24 -0.00 0.00 -0.63 0.00 0.00 43.02 42.47 2jka s PHE 166 CO 0.12 -0.62 -0.23 0.08 -0.05 0.00 0.00 175.22 174.51 2jka s VAL 167 N -2.95 2.14 -0.10 -2.49 1.01 -1.26 -0.36 120.40 116.39 2jka s VAL 167 Ca -0.02 -1.00 -0.28 0.00 0.00 0.00 0.00 61.98 60.67 2jka s VAL 167 Cb 0.00 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 2jka s VAL 167 CO -0.06 0.56 0.96 -0.63 0.00 0.00 0.00 175.10 175.93 2jka s ILE 168 N 0.26 4.83 -0.14 2.22 1.01 -0.06 -0.07 121.20 129.24 2jka s ILE 168 Ca -0.16 1.94 -0.21 0.00 0.00 0.00 0.00 60.65 62.22 2jka s ILE 168 Cb -0.17 -4.27 -0.18 0.00 0.01 0.00 0.00 42.46 37.85 2jka s ILE 168 CO 0.08 0.04 0.46 0.50 0.00 0.00 0.00 174.94 176.02 2jka h LYS 169 N 7.09 0.00 -2.92 2.79 3.64 -0.58 -0.72 116.57 125.87 2jka h LYS 169 Ca -0.32 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 58.93 2jka h LYS 169 Cb 1.15 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.76 2jka h LYS 169 CO 0.83 0.74 -0.26 -1.21 -2.27 0.00 0.00 179.45 177.28 2jka s GLU 170 N -2.11 0.58 0.14 1.90 0.41 -0.89 -4.44 118.70 114.29 2jka s GLU 170 Ca -0.17 0.11 -0.20 0.00 -0.41 0.00 0.00 54.97 54.30 2jka s GLU 170 Cb -0.01 0.27 -0.07 0.00 -1.78 0.00 0.00 34.13 32.54 2jka s GLU 170 CO 0.51 -0.13 0.66 -2.00 -0.49 0.00 0.00 175.26 173.80 2jka s GLU 171 N -0.69 4.28 -0.53 1.61 2.12 -1.26 -0.44 118.70 123.79 2jka s GLU 171 Ca -0.08 0.85 0.05 0.00 0.36 0.00 0.00 54.97 56.15 2jka s GLU 171 Cb -0.04 -3.13 0.37 0.00 0.26 0.00 0.00 34.13 31.59 2jka s GLU 171 CO 0.03 0.55 1.00 0.72 -0.54 0.00 0.00 175.26 177.02 2jka n HIS 172 N 1.35 3.76 -3.13 5.30 8.25 0.17 -4.57 115.22 126.35 2jka n HIS 172 Ca -0.07 -3.69 -0.41 0.00 -0.26 0.00 0.00 57.72 53.29 2jka n HIS 172 Cb 0.50 -0.35 -0.07 0.00 1.12 0.00 0.00 29.99 31.20 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 -3.48 6.49 0.19 0.41 0.01 -1.26 -3.29 113.70 112.77 2jka s SER 173 Ca 0.48 0.43 0.04 0.00 1.31 0.00 0.00 55.95 58.21 2jka s SER 173 Cb 0.32 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 64.20 2jka s SER 173 CO -0.15 -0.45 0.31 -1.10 0.41 0.00 0.00 173.24 172.25 2jka s GLN 174 N 2.56 3.42 -0.35 12.44 -0.21 -0.75 -0.60 119.66 136.17 2jka s GLN 174 Ca 0.25 -0.68 -0.00 0.00 0.02 0.00 0.00 55.36 54.94 2jka s GLN 174 Cb -0.15 -2.92 0.14 0.00 1.00 0.00 0.00 33.01 31.07 2jka s GLN 174 CO 0.11 0.48 0.20 -0.06 -2.12 0.00 0.00 175.29 173.91 2jka s PHE 175 N -1.85 0.75 -0.19 0.91 0.08 0.00 -4.73 117.98 112.95 2jka s PHE 175 Ca 0.34 -1.60 -0.28 0.00 0.12 0.00 0.00 56.93 55.51 2jka s PHE 175 Cb -0.10 -0.96 0.00 0.00 -0.57 0.00 0.00 43.02 41.39 2jka s PHE 175 CO 0.29 -0.83 0.99 0.20 -0.10 0.00 0.00 175.22 175.77 2jka s GLY 176 N 1.12 1.91 0.39 4.36 0.00 -1.26 -1.76 107.32 112.08 2jka s GLY 176 Ca 0.17 0.18 -0.16 0.00 0.00 0.00 0.00 44.72 44.92 2jka s GLY 176 CO -0.02 2.03 0.83 1.06 0.00 0.00 0.00 173.10 177.00 2jka s MET 177 N 2.77 4.01 -0.01 2.90 -1.94 0.17 -0.23 119.30 126.97 2jka s MET 177 Ca 0.44 0.78 0.16 0.00 -1.71 0.00 0.00 55.69 55.35 2jka s MET 177 Cb -0.16 -2.32 0.46 0.00 2.01 0.00 0.00 34.83 34.82 2jka s MET 177 CO 0.10 0.02 1.38 -1.71 -0.01 0.00 0.00 175.02 174.80 2jka n ASN 178 N -0.77 2.83 0.00 3.03 5.15 -1.26 -4.76 115.26 119.47 2jka n ASN 178 Ca 0.05 -2.02 0.00 0.00 -0.60 0.00 0.00 54.58 52.00 2jka n ASN 178 Cb 0.54 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 2jka n ASN 178 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jka n GLY 179 N 1.29 0.35 3.17 8.20 0.00 -1.26 -5.05 105.19 111.89 2jka n GLY 179 Ca 0.17 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 2jka n GLY 179 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jka n ASP 180 N 0.00 4.50 -4.66 1.61 2.03 -1.26 -4.97 116.55 113.79 2jka n ASP 180 Ca 0.00 -2.90 -0.30 0.00 0.52 0.00 0.00 54.79 52.11 2jka n ASP 180 Cb 0.00 -1.69 0.16 0.00 -0.72 0.00 0.00 41.12 38.88 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 3.42 1.97 0.04 -0.67 3.76 -1.26 -4.45 115.29 118.10 2jka s HIS 181 Ca 0.50 1.39 -0.27 0.00 -0.15 0.00 0.00 55.06 56.52 2jka s HIS 181 Cb 0.08 -3.18 -0.05 0.00 1.11 0.00 0.00 32.58 30.54 2jka s HIS 181 CO -0.00 -2.76 0.83 0.42 -0.85 0.00 0.00 174.74 172.38 2jka s ILE 182 N -2.77 4.73 0.16 0.60 1.01 -0.59 -1.40 121.20 122.93 2jka s ILE 182 Ca 0.65 1.78 0.10 0.00 0.00 0.00 0.00 60.65 63.17 2jka s ILE 182 Cb -0.20 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 2jka s ILE 182 CO 0.59 0.31 -0.22 0.00 0.00 0.00 0.00 174.94 175.62 2jka s ALA 183 N 0.19 2.20 -0.28 9.38 0.00 0.25 -1.01 121.76 132.49 2jka s ALA 183 Ca 0.42 -1.49 0.03 0.00 0.00 0.00 0.00 51.96 50.92 2jka s ALA 183 Cb -0.21 -0.27 0.06 0.00 0.00 0.00 0.00 23.12 22.70 2jka s ALA 183 CO 0.25 0.37 -0.07 -0.06 0.00 0.00 0.00 175.76 176.25 2jka s PHE 184 N -1.60 3.34 0.01 0.00 0.08 -0.26 -1.90 117.98 117.65 2jka s PHE 184 Ca 0.15 -2.37 -0.05 0.00 0.12 0.00 0.00 56.93 54.79 2jka s PHE 184 Cb -0.08 -2.10 -0.01 0.00 -0.57 0.00 0.00 43.02 40.26 2jka s PHE 184 CO 0.07 -0.88 0.07 1.67 -0.10 0.00 0.00 175.22 176.05 2jka s TRP 185 N 1.09 0.14 0.20 0.36 1.48 -0.58 -3.57 118.94 118.06 2jka s TRP 185 Ca -0.06 -0.31 0.09 0.00 -1.06 0.00 0.00 56.10 54.76 2jka s TRP 185 Cb -0.20 -0.11 -0.04 0.00 -1.16 0.00 0.00 33.47 31.96 2jka s TRP 185 CO -0.05 -0.26 -0.10 0.96 -4.06 0.00 0.00 176.95 173.44 2jka s ILE 186 N -1.55 3.13 0.20 0.66 -4.36 -1.26 -1.13 121.20 116.89 2jka s ILE 186 Ca -0.14 -1.78 -0.33 0.00 -0.26 0.00 0.00 60.65 58.15 2jka s ILE 186 Cb -0.08 -2.58 -0.14 0.00 1.25 0.00 0.00 42.46 40.91 2jka s ILE 186 CO 0.00 -0.18 1.41 -2.65 0.24 0.00 0.00 174.94 173.77 2jka n PRO 187 N -0.15 1.86 -1.69 0.37 -0.02 -1.26 -2.11 135.00 132.00 2jka n PRO 187 Ca -0.10 0.67 -0.44 0.00 -2.02 0.00 0.00 63.50 61.61 2jka n PRO 187 Cb 0.56 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 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 2.49 1.19 3.63 -1.23 0.00 0.31 -4.32 105.19 107.25 2jka n GLY 188 Ca 0.14 0.60 -0.13 0.00 0.00 0.00 0.00 46.02 46.62 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 0.82 -0.77 0.00 1.61 -1.08 -1.26 -3.31 116.67 112.67 2jka s ASP 189 Ca 0.74 1.45 0.27 0.00 -0.52 0.00 0.00 52.55 54.50 2jka s ASP 189 Cb -0.61 1.45 0.97 0.00 -1.46 0.00 0.00 42.92 43.27 2jka s ASP 189 CO 0.40 -0.25 1.71 -1.22 0.52 0.00 0.00 175.17 176.33 2jka n TYR 190 N 2.90 0.00 0.00 -5.34 4.01 -0.58 -4.50 117.16 113.65 2jka n TYR 190 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 2jka n TYR 190 Cb 0.56 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 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 -0.99 2.42 -4.04 7.72 8.00 -1.26 -2.26 116.55 126.13 2jka n ASP 191 Ca 0.12 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.54 2jka n ASP 191 Cb 0.31 0.28 -0.10 0.00 -0.02 0.00 0.00 41.12 41.59 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 -1.40 0.18 -0.05 -3.53 -1.32 -1.25 -4.70 115.64 103.56 2jka s THR 192 Ca 0.00 -1.45 0.08 0.00 -1.21 0.00 0.00 61.69 59.11 2jka s THR 192 Cb 0.00 -1.04 0.12 0.00 -1.51 0.00 0.00 72.50 70.08 2jka s THR 192 CO 0.00 -0.80 1.01 0.00 -2.21 0.00 0.00 174.62 172.62 2jka n GLN 193 N 0.67 1.51 -0.83 7.08 3.00 -1.26 -4.64 117.38 122.92 2jka n GLN 193 Ca -0.18 -1.77 -0.11 0.00 -0.01 0.00 0.00 57.00 54.93 2jka n GLN 193 Cb 0.59 -1.08 -0.02 0.00 0.00 0.00 0.00 30.24 29.72 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 -0.77 1.60 -3.99 -1.09 1.02 -1.26 -3.30 120.64 112.85 2jka n GLU 194 Ca 0.07 -0.97 -0.31 0.00 -0.02 0.00 0.00 57.16 55.93 2jka n GLU 194 Cb 0.51 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.37 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 -0.69 3.35 0.51 -0.32 2.02 -1.26 -4.69 117.35 116.27 2jka s TYR 195 Ca 0.28 0.16 -0.21 0.00 -0.37 0.00 0.00 57.07 56.93 2jka s TYR 195 Cb 0.18 -1.69 -0.07 0.00 -0.40 0.00 0.00 41.96 39.99 2jka s TYR 195 CO -0.03 0.55 1.13 -0.51 -1.57 0.00 0.00 175.55 175.13 2jka s ASP 196 N -2.47 5.94 0.64 2.29 1.01 -1.26 -4.47 116.67 118.36 2jka s ASP 196 Ca 0.32 2.20 -0.14 0.00 0.71 0.00 0.00 52.55 55.64 2jka s ASP 196 Cb -0.13 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.21 2jka s ASP 196 CO 0.25 -1.07 1.06 -0.31 0.21 0.00 0.00 175.17 175.32 2jka s TYR 197 N -1.71 2.97 0.02 4.23 1.51 -1.26 -4.77 117.35 118.33 2jka s TYR 197 Ca 0.69 1.49 0.08 0.00 -1.01 0.00 0.00 57.07 58.32 2jka s TYR 197 Cb -0.25 -2.98 -0.02 0.00 -0.11 0.00 0.00 41.96 38.60 2jka s TYR 197 CO 0.29 -1.25 -0.24 0.99 -1.11 0.00 0.00 175.55 174.24 2jka s THR 198 N -2.67 1.89 -0.24 -0.71 2.01 -0.28 -4.95 115.64 110.70 2jka s THR 198 Ca 0.62 -1.16 -0.03 0.00 0.31 0.00 0.00 61.69 61.43 2jka s THR 198 Cb -0.16 -1.60 0.01 0.00 0.01 0.00 0.00 72.50 70.76 2jka s THR 198 CO 0.44 0.40 -0.05 -0.63 -0.69 0.00 0.00 174.62 174.10 2jka s ILE 199 N -0.68 3.09 0.24 1.82 1.01 -1.26 -1.53 121.20 123.88 2jka s ILE 199 Ca 0.09 -0.81 -0.22 0.00 0.00 0.00 0.00 60.65 59.71 2jka s ILE 199 Cb -0.09 -2.50 0.04 0.00 0.01 0.00 0.00 42.46 39.91 2jka s ILE 199 CO 0.01 0.29 0.77 -0.94 0.00 0.00 0.00 174.94 175.06 2jka s SER 200 N 1.39 -0.26 0.75 3.58 1.04 -0.80 -4.98 113.70 114.42 2jka s SER 200 Ca 0.03 -0.51 -0.12 0.00 0.48 0.00 0.00 55.95 55.82 2jka s SER 200 Cb -0.16 0.66 0.05 0.00 0.10 0.00 0.00 66.02 66.67 2jka s SER 200 CO -0.04 -1.20 1.11 -0.13 0.98 0.00 0.00 173.24 173.96 2jka s ARG 201 N -3.74 2.30 0.31 4.02 1.81 -1.26 0.84 118.95 123.24 2jka s ARG 201 Ca 0.11 1.33 0.00 0.00 -1.72 0.00 0.00 55.73 55.45 2jka s ARG 201 Cb -0.04 -1.89 0.51 0.00 -0.45 0.00 0.00 34.95 33.07 2jka s ARG 201 CO 0.04 -1.63 1.92 -0.07 -0.68 0.00 0.00 175.30 174.88 2jka h LEU 202 N -0.75 0.76 -0.43 2.53 3.38 -1.45 -1.72 115.31 117.62 2jka h LEU 202 Ca -0.45 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2jka h LEU 202 Cb 1.24 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2jka h LEU 202 CO 0.51 0.65 0.00 -1.54 0.09 0.00 0.00 178.44 178.15 2jka n SER 203 N -4.36 0.40 -0.05 -0.43 3.41 -1.26 -2.92 113.62 108.41 2jka n SER 203 Ca 0.05 0.60 0.10 0.00 -0.26 0.00 0.00 58.87 59.37 2jka n SER 203 Cb 0.13 -0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 63.36 2jka n SER 203 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jka n GLU 204 N -1.94 0.13 0.03 4.33 1.02 -0.66 -4.54 120.64 119.01 2jka n GLU 204 Ca 0.03 -0.10 -0.12 0.00 -0.02 0.00 0.00 57.16 56.95 2jka n GLU 204 Cb 0.20 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.06 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 0.25 0.99 -0.55 -3.67 2.04 -1.45 -2.37 117.51 112.75 2jka h ILE 205 Ca 0.00 -0.01 0.11 0.00 1.00 0.00 0.00 64.86 65.96 2jka h ILE 205 Cb 0.52 0.96 -0.11 0.00 -0.74 0.00 0.00 36.82 37.46 2jka h ILE 205 CO 0.00 0.00 -0.23 -0.09 0.00 0.00 0.00 178.15 177.83 2jka h ARG 206 N 0.02 -0.09 0.00 2.37 2.43 -1.80 0.70 114.38 118.00 2jka h ARG 206 Ca 0.01 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2jka h ARG 206 Cb 0.01 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2jka h ARG 206 CO -0.02 -0.06 -0.10 0.78 -1.51 0.00 0.00 179.97 179.06 2jka h GLY 207 N -0.10 0.00 0.32 2.80 0.00 -1.80 -3.12 103.07 101.17 2jka h GLY 207 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2jka h GLY 207 CO -0.61 0.00 -1.17 1.04 0.00 0.00 0.00 176.54 175.80 2jka n LEU 208 N -3.31 0.62 -0.13 3.11 4.77 -0.31 -4.54 117.00 117.20 2jka n LEU 208 Ca -0.00 -0.17 -0.04 0.00 -0.03 0.00 0.00 56.01 55.77 2jka n LEU 208 Cb 0.31 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.38 2jka n LEU 208 CO 0.29 0.11 0.89 -0.03 -1.33 0.00 0.00 177.39 177.31 2jka h MET 209 N 0.00 0.18 -0.36 3.23 4.05 -0.86 -0.68 114.93 120.47 2jka h MET 209 Ca 0.00 -0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.48 2jka h MET 209 Cb 0.69 -0.04 -0.07 0.00 -0.80 0.00 0.00 31.60 31.39 2jka h MET 209 CO 0.00 0.12 -0.06 -0.22 0.23 0.00 0.00 176.91 176.98 2jka h LYS 210 N 0.18 0.03 0.00 0.39 3.11 -1.80 -1.50 116.57 116.98 2jka h LYS 210 Ca 0.21 -0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.97 2jka h LYS 210 Cb 0.27 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.49 2jka h LYS 210 CO -0.30 0.02 -0.36 1.05 -2.81 0.00 0.00 179.45 177.06 2jka h GLU 211 N 0.03 0.00 0.00 1.90 4.11 -1.76 -3.11 114.58 115.75 2jka h GLU 211 Ca 0.18 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.56 2jka h GLU 211 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2jka h GLU 211 CO -0.35 0.36 -0.23 0.00 0.07 0.00 0.00 179.01 178.86 2jka h ALA 212 N 1.64 1.07 -1.74 1.06 0.00 -0.35 -3.38 119.26 117.55 2jka h ALA 212 Ca -0.00 -0.21 -0.66 0.00 0.00 0.00 0.00 54.91 54.04 2jka h ALA 212 Cb 1.00 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.60 2jka h ALA 212 CO 0.05 0.29 0.75 0.42 0.00 0.00 0.00 179.25 180.76 2jka s ILE 213 N -3.75 4.49 0.52 0.00 1.01 -0.64 -4.80 121.20 118.03 2jka s ILE 213 Ca -0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 2jka s ILE 213 Cb 0.11 -4.76 0.01 0.00 0.01 0.00 0.00 42.46 37.83 2jka s ILE 213 CO 0.64 -1.52 0.78 0.42 0.00 0.00 0.00 174.94 175.26 2jka s THR 214 N 3.47 3.61 0.38 2.92 -4.23 -1.26 -5.00 115.64 115.54 2jka s THR 214 Ca 0.29 -0.35 -0.26 0.00 -1.18 0.00 0.00 61.69 60.18 2jka s THR 214 Cb -0.10 -3.38 -0.09 0.00 1.34 0.00 0.00 72.50 70.27 2jka s THR 214 CO -0.01 -0.31 1.23 -2.84 -0.54 0.00 0.00 174.62 172.15 2jka s PRO 215 N -4.76 4.13 0.05 3.99 0.02 -1.26 -5.04 135.00 132.12 2jka s PRO 215 Ca 0.52 2.00 -0.11 0.00 0.02 0.00 0.00 61.00 63.43 2jka s PRO 215 Cb -0.10 -2.81 0.01 0.00 0.02 0.00 0.00 34.50 31.62 2jka s PRO 215 CO 0.41 -0.31 0.24 1.21 -0.33 0.00 0.00 177.00 178.22 2jka s ASN 216 N -0.88 -0.03 0.52 2.53 3.84 -1.26 -5.05 114.94 114.62 2jka s ASN 216 Ca 0.55 -0.34 0.21 0.00 0.21 0.00 0.00 52.86 53.49 2jka s ASN 216 Cb -0.35 0.33 1.40 0.00 -0.55 0.00 0.00 41.25 42.08 2jka s ASN 216 CO 0.44 -0.61 2.13 0.77 -2.79 0.00 0.00 177.10 177.04 2jka h SER 217 N 3.23 0.00 -2.54 -4.21 4.64 -1.98 -3.39 113.55 109.29 2jka h SER 217 Ca -0.32 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.81 2jka h SER 217 Cb 1.20 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.98 2jka h SER 217 CO 0.48 0.06 -0.49 -0.55 -0.87 0.00 0.00 176.83 175.46 2jka s SER 218 N -6.66 0.30 -0.25 4.97 0.15 -1.26 -4.39 113.70 106.56 2jka s SER 218 Ca -0.04 0.53 -0.17 0.00 0.70 0.00 0.00 55.95 56.96 2jka s SER 218 Cb 0.16 0.91 0.07 0.00 -1.71 0.00 0.00 66.02 65.45 2jka s SER 218 CO 0.63 -0.26 0.62 0.00 1.20 0.00 0.00 173.24 175.43 2jka s GLN 219 N 2.48 0.67 -0.41 5.44 -2.07 -1.26 -3.78 119.66 120.74 2jka s GLN 219 Ca 0.03 1.01 0.02 0.00 -1.82 0.00 0.00 55.36 54.61 2jka s GLN 219 Cb -0.13 0.21 0.16 0.00 -1.09 0.00 0.00 33.01 32.15 2jka s GLN 219 CO -0.11 -0.13 0.29 0.99 -1.32 0.00 0.00 175.29 175.01 2jka s THR 220 N 1.06 0.53 0.67 3.63 2.01 -1.26 -4.93 115.64 117.34 2jka s THR 220 Ca -0.06 -2.39 -0.17 0.00 0.31 0.00 0.00 61.69 59.38 2jka s THR 220 Cb -0.05 -1.38 0.00 0.00 0.01 0.00 0.00 72.50 71.08 2jka s THR 220 CO -0.10 -1.10 1.25 -2.84 -0.69 0.00 0.00 174.62 171.14 2jka s PRO 221 N 0.37 2.45 0.00 4.92 0.02 -1.26 -1.53 135.00 139.98 2jka s PRO 221 Ca 0.25 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.19 2jka s PRO 221 Cb -0.09 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.57 2jka s PRO 221 CO -0.10 -1.63 0.00 1.97 -0.33 0.00 0.00 177.00 176.91 2jka n PHE 222 N -2.16 0.00 -3.59 6.54 1.16 -1.21 -4.92 117.46 113.28 2jka n PHE 222 Ca 0.15 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.58 2jka n PHE 222 Cb 0.49 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.30 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 -1.19 -0.68 0.42 5.98 0.15 -1.26 -4.98 113.70 112.14 2jka s SER 223 Ca 0.00 1.09 0.28 0.00 0.70 0.00 0.00 55.95 58.02 2jka s SER 223 Cb 0.00 1.03 1.53 0.00 -1.71 0.00 0.00 66.02 66.87 2jka s SER 223 CO 0.00 -0.39 1.86 -0.61 1.20 0.00 0.00 173.24 175.31 2jka h GLN 224 N 4.08 0.00 0.00 5.44 4.15 -1.97 -2.14 115.11 124.67 2jka h GLN 224 Ca -0.28 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.08 2jka h GLN 224 Cb 1.15 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 28.71 2jka h GLN 224 CO 0.19 0.00 -0.62 0.25 -1.93 0.00 0.00 178.83 176.72 2jka n THR 225 N -2.49 1.20 -3.27 2.39 -2.24 -1.26 -3.91 114.28 104.70 2jka n THR 225 Ca -0.02 -2.04 -0.38 0.00 -2.27 0.00 0.00 64.05 59.34 2jka n THR 225 Cb 0.05 0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.48 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 -2.55 2.54 0.16 3.38 0.00 -0.81 -0.91 107.32 109.13 2jka s GLY 226 Ca 0.32 -0.06 0.05 0.00 0.00 0.00 0.00 44.72 45.03 2jka s GLY 226 CO -0.08 0.68 -0.09 -1.34 0.00 0.00 0.00 173.10 172.26 2jka s VAL 227 N -0.09 1.21 0.48 1.40 -7.23 0.43 -0.53 120.40 116.08 2jka s VAL 227 Ca 0.29 -2.07 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 2jka s VAL 227 Cb -0.17 -1.94 0.01 0.00 0.56 0.00 0.00 36.38 34.84 2jka s VAL 227 CO 0.15 -0.67 0.70 -1.10 -0.31 0.00 0.00 175.10 173.87 2jka s GLN 228 N -3.75 2.89 0.24 4.82 -0.21 -0.90 -1.09 119.66 121.66 2jka s GLN 228 Ca 0.19 -0.60 0.07 0.00 0.02 0.00 0.00 55.36 55.04 2jka s GLN 228 Cb 0.03 -2.54 -0.04 0.00 1.00 0.00 0.00 33.01 31.46 2jka s GLN 228 CO 0.02 -0.41 0.15 0.95 -2.12 0.00 0.00 175.29 173.88 2jka s THR 229 N -2.62 4.25 0.30 -0.19 -4.23 -1.26 -3.92 115.64 107.98 2jka s THR 229 Ca 0.51 -1.47 -0.29 0.00 -1.18 0.00 0.00 61.69 59.26 2jka s THR 229 Cb -0.10 -3.28 -0.10 0.00 1.34 0.00 0.00 72.50 70.36 2jka s THR 229 CO 0.38 -0.33 1.28 0.00 -0.54 0.00 0.00 174.62 175.41 2jka s ALA 230 N -2.13 3.49 -0.17 3.99 0.00 -1.26 -4.96 121.76 120.73 2jka s ALA 230 Ca 0.32 1.19 -0.06 0.00 0.00 0.00 0.00 51.96 53.41 2jka s ALA 230 Cb -0.08 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 2jka s ALA 230 CO 0.24 -0.55 0.04 -1.17 0.00 0.00 0.00 175.76 174.31 2jka s LEU 231 N -1.49 3.68 -0.10 0.00 2.96 0.35 -4.66 118.68 119.42 2jka s LEU 231 Ca 0.49 0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 54.43 2jka s LEU 231 Cb -0.38 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 2jka s LEU 231 CO 0.49 0.19 -0.03 -0.32 -1.32 0.00 0.00 176.35 175.36 2jka s MET 232 N 0.24 3.15 0.05 1.98 -2.45 -1.23 -1.35 119.30 119.68 2jka s MET 232 Ca 0.02 -0.49 0.03 0.00 -1.25 0.00 0.00 55.69 54.00 2jka s MET 232 Cb -0.13 -2.77 -0.02 0.00 1.25 0.00 0.00 34.83 33.16 2jka s MET 232 CO 0.01 0.53 -0.10 -1.64 1.05 0.00 0.00 175.02 174.88 2jka s MET 233 N -0.43 0.62 -0.16 4.11 1.00 0.16 -1.11 119.30 123.49 2jka s MET 233 Ca 0.07 -0.76 0.01 0.00 0.00 0.00 0.00 55.69 55.01 2jka s MET 233 Cb -0.12 -0.47 0.02 0.00 0.00 0.00 0.00 34.83 34.26 2jka s MET 233 CO 0.02 0.10 -0.18 0.21 0.00 0.00 0.00 175.02 175.17 2jka s LYS 234 N -1.47 2.68 0.33 2.03 2.20 -0.18 -0.88 119.74 124.45 2jka s LYS 234 Ca -0.06 -0.71 -0.05 0.00 -0.36 0.00 0.00 55.97 54.79 2jka s LYS 234 Cb -0.09 -2.32 -0.05 0.00 -1.51 0.00 0.00 37.83 33.86 2jka s LYS 234 CO 0.01 -0.17 0.60 0.95 -0.36 0.00 0.00 175.35 176.37 2jka s THR 235 N 1.25 5.00 0.51 3.43 -4.23 -0.29 -1.55 115.64 119.77 2jka s THR 235 Ca 0.02 0.04 0.32 0.00 -1.18 0.00 0.00 61.69 60.90 2jka s THR 235 Cb -0.13 -3.77 0.35 0.00 1.34 0.00 0.00 72.50 70.29 2jka s THR 235 CO -0.09 -0.43 2.20 0.44 -0.54 0.00 0.00 174.62 176.19 2jka h ASP 236 N 1.35 0.00 -0.40 3.99 3.32 -1.92 -2.08 116.42 120.69 2jka h ASP 236 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2jka h ASP 236 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2jka h ASP 236 CO 0.65 0.05 0.00 -0.90 -1.72 0.00 0.00 179.24 177.31 2jka n ASP 237 N -3.56 3.85 0.00 6.45 5.75 -1.26 -4.92 116.55 122.86 2jka n ASP 237 Ca -0.02 -2.50 0.00 0.00 -0.01 0.00 0.00 54.79 52.25 2jka n ASP 237 Cb 0.15 -0.57 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 0.57 0.57 3.96 6.12 0.00 -0.78 -5.06 105.19 110.57 2jka n GLY 238 Ca 0.18 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 4.24 -0.12 0.99 1.43 -1.26 -4.51 118.68 119.46 2jka s LEU 239 Ca 0.00 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 2jka s LEU 239 Cb 0.00 -2.98 0.01 0.00 0.03 0.00 0.00 46.19 43.24 2jka s LEU 239 CO 0.00 -0.13 -0.22 -0.31 0.23 0.00 0.00 176.35 175.92 2jka s TYR 240 N -2.06 2.54 -0.06 0.29 2.02 0.23 -1.13 117.35 119.17 2jka s TYR 240 Ca 0.36 -1.17 0.03 0.00 -0.37 0.00 0.00 57.07 55.91 2jka s TYR 240 Cb -0.09 -1.72 0.01 0.00 -0.40 0.00 0.00 41.96 39.75 2jka s TYR 240 CO 0.31 -0.52 -0.15 0.42 -1.57 0.00 0.00 175.55 174.04 2jka s ILE 241 N 0.64 1.36 -0.09 2.71 1.01 -0.06 -2.35 121.20 124.41 2jka s ILE 241 Ca -0.12 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 59.94 2jka s ILE 241 Cb -0.16 -1.20 -0.00 0.00 0.01 0.00 0.00 42.46 41.10 2jka s ILE 241 CO 0.03 0.40 -0.23 0.21 0.00 0.00 0.00 174.94 175.34 2jka s ASN 242 N 0.41 2.98 -0.13 3.58 3.84 0.23 0.37 114.94 126.23 2jka s ASN 242 Ca -0.12 -0.53 0.02 0.00 0.21 0.00 0.00 52.86 52.44 2jka s ASN 242 Cb -0.15 -1.28 0.00 0.00 -0.55 0.00 0.00 41.25 39.27 2jka s ASN 242 CO 0.04 0.16 -0.20 -0.76 -2.79 0.00 0.00 177.10 173.55 2jka s LEU 243 N 0.29 2.26 0.00 3.21 1.43 -0.45 -0.94 118.68 124.49 2jka s LEU 243 Ca -0.16 -0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 52.33 2jka s LEU 243 Cb -0.17 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.60 2jka s LEU 243 CO 0.08 0.12 0.43 1.57 0.23 0.00 0.00 176.35 178.78 2jka n HIS 244 N 3.79 -1.68 -4.24 0.29 -0.00 -0.90 -0.49 115.22 112.00 2jka n HIS 244 Ca -0.19 -0.97 -0.14 0.00 0.46 0.00 0.00 57.72 56.88 2jka n HIS 244 Cb 0.52 0.48 -0.10 0.00 -0.12 0.00 0.00 29.99 30.78 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 -2.05 1.14 0.01 1.57 -1.05 -1.26 -0.87 118.70 116.19 2jka s GLU 245 Ca 0.09 -1.56 0.00 0.00 -0.15 0.00 0.00 54.97 53.35 2jka s GLU 245 Cb -0.03 -0.20 -0.01 0.00 -0.44 0.00 0.00 34.13 33.45 2jka s GLU 245 CO 0.06 -0.18 -0.02 0.00 0.95 0.00 0.00 175.26 176.07 2jka s ALA 246 N -3.72 0.14 -0.94 -0.84 0.00 -0.47 -4.77 121.76 111.16 2jka s ALA 246 Ca 0.26 -0.23 -0.03 0.00 0.00 0.00 0.00 51.96 51.97 2jka s ALA 246 Cb 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 2jka s ALA 246 CO 0.05 -0.02 0.80 0.00 0.00 0.00 0.00 175.76 176.60 2jka n ALA 247 N 2.60 -1.95 -2.27 0.00 0.00 -0.20 -1.04 120.51 117.66 2jka n ALA 247 Ca -0.16 0.04 -0.34 0.00 0.00 0.00 0.00 53.44 52.99 2jka n ALA 247 Cb 0.58 -3.63 -0.04 0.00 0.00 0.00 0.00 19.45 16.37 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 -5.31 3.34 -0.06 0.00 2.96 -1.26 -4.40 118.68 113.95 2jka s LEU 248 Ca 0.21 -1.54 0.03 0.00 -0.22 0.00 0.00 54.13 52.60 2jka s LEU 248 Cb -0.03 -2.58 0.01 0.00 0.50 0.00 0.00 46.19 44.09 2jka s LEU 248 CO 0.62 -2.27 -0.14 -0.69 -1.32 0.00 0.00 176.35 172.54 2jka s VAL 249 N 8.12 1.26 -1.37 1.68 1.01 -1.26 -4.81 120.40 125.03 2jka s VAL 249 Ca 0.61 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 2jka s VAL 249 Cb -0.01 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.28 2jka s VAL 249 CO 0.04 0.38 0.89 0.47 0.00 0.00 0.00 175.10 176.88 2jka n ASP 250 N 3.51 -3.13 -3.51 3.32 8.00 -1.26 -4.79 116.55 118.69 2jka n ASP 250 Ca -0.20 -0.74 -0.09 0.00 0.71 0.00 0.00 54.79 54.46 2jka n ASP 250 Cb 0.52 -4.27 -0.02 0.00 -0.02 0.00 0.00 41.12 37.33 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 -3.47 -0.36 0.24 1.24 5.04 -1.26 -4.96 117.35 113.82 2jka s TYR 251 Ca 0.29 0.29 -0.21 0.00 -2.44 0.00 0.00 57.07 55.00 2jka s TYR 251 Cb -0.14 0.52 -0.09 0.00 0.35 0.00 0.00 41.96 42.61 2jka s TYR 251 CO 0.80 -0.53 0.77 0.45 -1.34 0.00 0.00 175.55 175.70 2jka s SER 252 N -2.28 7.11 0.25 4.32 0.15 -1.26 -4.17 113.70 117.81 2jka s SER 252 Ca 0.04 1.50 -0.31 0.00 0.70 0.00 0.00 55.95 57.87 2jka s SER 252 Cb -0.01 -2.45 -0.12 0.00 -1.71 0.00 0.00 66.02 61.73 2jka s SER 252 CO -0.07 0.01 1.57 0.00 1.20 0.00 0.00 173.24 175.95 2jka s MET 254 N 0.01 4.19 0.48 0.00 1.75 -1.26 -2.01 119.30 122.45 2jka s MET 254 Ca 0.69 0.34 0.06 0.00 -1.25 0.00 0.00 55.69 55.53 2jka s MET 254 Cb -0.56 -3.55 0.06 0.00 2.84 0.00 0.00 34.83 33.62 2jka s MET 254 CO 0.44 -0.10 0.51 0.72 -0.65 0.00 0.00 175.02 175.94 2jka n HIS 255 N 4.65 -1.55 -4.86 4.11 8.25 0.04 -4.44 115.22 121.43 2jka n HIS 255 Ca -0.06 -1.88 -0.27 0.00 -0.26 0.00 0.00 57.72 55.25 2jka n HIS 255 Cb 0.51 -0.42 -0.16 0.00 1.12 0.00 0.00 29.99 31.03 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 1.89 -0.20 2.41 1.43 -0.25 -1.04 118.68 122.91 2jka s LEU 256 Ca 0.39 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 53.05 2jka s LEU 256 Cb -0.03 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.14 2jka s LEU 256 CO 0.25 0.13 0.01 0.21 0.23 0.00 0.00 176.35 177.18 2jka s ASN 257 N 0.22 4.90 -0.15 2.29 2.47 -0.10 -0.43 114.94 124.15 2jka s ASN 257 Ca -0.09 -0.19 -0.19 0.00 0.42 0.00 0.00 52.86 52.81 2jka s ASN 257 Cb -0.14 -1.84 -0.04 0.00 -1.45 0.00 0.00 41.25 37.79 2jka s ASN 257 CO 0.04 0.06 0.52 -0.22 -3.72 0.00 0.00 177.10 173.78 2jka s LEU 258 N 1.03 4.22 -0.66 3.21 2.96 -0.09 -0.91 118.68 128.45 2jka s LEU 258 Ca 0.02 0.80 -0.24 0.00 -0.22 0.00 0.00 54.13 54.49 2jka s LEU 258 Cb -0.14 -2.74 0.06 0.00 0.50 0.00 0.00 46.19 43.86 2jka s LEU 258 CO 0.02 -0.09 1.02 -0.62 -1.32 0.00 0.00 176.35 175.36 2jka s ASP 259 N 0.87 6.19 0.00 3.68 -1.08 -0.01 -4.74 116.67 121.57 2jka s ASP 259 Ca 0.26 -0.80 0.25 0.00 -0.52 0.00 0.00 52.55 51.75 2jka s ASP 259 Cb -0.15 -2.45 1.08 0.00 -1.46 0.00 0.00 42.92 39.93 2jka s ASP 259 CO 0.11 -1.49 1.74 -0.90 0.52 0.00 0.00 175.17 175.15 2jka n ASP 260 N 8.00 1.22 0.02 -0.34 5.75 -1.26 -0.36 116.55 129.58 2jka n ASP 260 Ca -0.02 -1.49 -0.12 0.00 -0.01 0.00 0.00 54.79 53.15 2jka n ASP 260 Cb 0.46 -0.03 -0.14 0.00 -1.03 0.00 0.00 41.12 40.38 2jka n ASP 260 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2jka h LYS 261 N 1.79 0.09 0.00 0.11 1.57 -1.97 -3.39 116.57 114.77 2jka h LYS 261 Ca 0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2jka h LYS 261 Cb 0.39 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2jka h LYS 261 CO 0.00 0.82 0.00 -1.71 -0.57 0.00 0.00 179.45 177.99 2jka n ASN 262 N -3.25 1.49 -3.51 0.86 2.85 -1.17 -5.02 115.26 107.51 2jka n ASN 262 Ca -0.15 -1.70 -0.19 0.00 -0.11 0.00 0.00 54.58 52.43 2jka n ASN 262 Cb 1.03 0.00 0.06 0.00 1.24 0.00 0.00 39.78 42.11 2jka n ASN 262 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 2jka n MET 263 N -0.35 -4.71 -4.30 1.20 2.81 0.51 -4.74 117.12 107.54 2jka n MET 263 Ca 0.00 0.74 -0.31 0.00 -1.81 0.00 0.00 57.70 56.32 2jka n MET 263 Cb 0.27 -5.48 -0.16 0.00 -0.71 0.00 0.00 33.22 27.14 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 -3.48 1.83 0.29 2.03 1.01 -1.01 -0.65 120.40 120.42 2jka s VAL 264 Ca 0.13 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.13 2jka s VAL 264 Cb -0.03 -1.66 -0.09 0.00 0.00 0.00 0.00 36.38 34.60 2jka s VAL 264 CO 0.77 0.50 0.74 -0.36 0.00 0.00 0.00 175.10 176.75 2jka s PHE 265 N 1.16 3.46 0.01 5.22 0.40 -0.72 -0.83 117.98 126.68 2jka s PHE 265 Ca -0.00 1.29 0.01 0.00 -0.60 0.00 0.00 56.93 57.63 2jka s PHE 265 Cb -0.14 -2.57 -0.01 0.00 0.51 0.00 0.00 43.02 40.81 2jka s PHE 265 CO -0.07 0.17 -0.05 -2.00 0.70 0.00 0.00 175.22 173.97 2jka s GLU 266 N -2.65 0.38 0.08 0.44 2.12 -0.09 -0.82 118.70 118.16 2jka s GLU 266 Ca 0.51 -0.33 -0.35 0.00 0.36 0.00 0.00 54.97 55.16 2jka s GLU 266 Cb -0.12 -0.28 -0.14 0.00 0.26 0.00 0.00 34.13 33.85 2jka s GLU 266 CO 0.18 0.07 1.60 -1.13 -0.54 0.00 0.00 175.26 175.45 2jka n SER 267 N 2.51 2.88 -3.81 -1.70 3.41 0.23 -0.92 113.62 116.22 2jka n SER 267 Ca -0.16 1.07 -0.30 0.00 -0.26 0.00 0.00 58.87 59.22 2jka n SER 267 Cb 0.57 -1.36 -0.15 0.00 -0.26 0.00 0.00 64.21 63.01 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 1.56 1.93 0.62 7.33 -0.11 -0.20 -4.67 118.94 125.40 2jka s TRP 268 Ca 0.83 -1.69 -0.09 0.00 1.22 0.00 0.00 56.10 56.37 2jka s TRP 268 Cb -0.75 -1.67 -0.02 0.00 -1.50 0.00 0.00 33.47 29.54 2jka s TRP 268 CO 0.43 -0.81 0.99 -0.51 -4.62 0.00 0.00 176.95 172.44 2jka s LEU 269 N 1.54 3.19 -0.14 5.86 1.43 -1.26 -0.78 118.68 128.52 2jka s LEU 269 Ca 0.04 1.15 -0.24 0.00 -1.03 0.00 0.00 54.13 54.05 2jka s LEU 269 Cb -0.18 -4.07 -0.02 0.00 0.03 0.00 0.00 46.19 41.95 2jka s LEU 269 CO -0.16 -1.00 0.77 -0.89 0.23 0.00 0.00 176.35 175.30 2jka s THR 270 N -3.14 4.94 0.56 5.49 2.01 -0.85 -4.89 115.64 119.75 2jka s THR 270 Ca 0.55 1.53 -0.15 0.00 0.31 0.00 0.00 61.69 63.93 2jka s THR 270 Cb -0.11 -4.09 -0.06 0.00 0.01 0.00 0.00 72.50 68.25 2jka s THR 270 CO 0.51 0.10 1.01 -2.16 -0.69 0.00 0.00 174.62 173.38 2jka s PRO 271 N 1.75 3.74 0.10 4.92 0.04 -1.26 -4.59 135.00 139.71 2jka s PRO 271 Ca 0.37 0.93 -0.01 0.00 0.04 0.00 0.00 61.00 62.34 2jka s PRO 271 Cb -0.17 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.29 2jka s PRO 271 CO 0.14 -0.45 0.13 -0.40 0.04 0.00 0.00 177.00 176.47 2jka n ASP 272 N -1.99 0.09 0.27 6.66 5.68 0.14 -4.54 116.55 122.86 2jka n ASP 272 Ca 0.07 -1.09 0.18 0.00 -0.50 0.00 0.00 54.79 53.45 2jka n ASP 272 Cb 0.54 -0.10 0.90 0.00 -1.14 0.00 0.00 41.12 41.33 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 -1.20 1.00 -0.32 2.12 0.00 -1.89 -1.55 119.26 117.42 2jka h ALA 273 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jka h ALA 273 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jka h ALA 273 CO 0.04 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.92 2jka n LYS 274 N -2.87 2.22 -0.20 0.00 5.02 -1.26 -4.96 118.16 116.11 2jka n LYS 274 Ca -0.01 -2.04 0.00 0.00 -2.02 0.00 0.00 58.31 54.24 2jka n LYS 274 Cb 0.15 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 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 1.12 0.69 3.89 0.72 0.00 -0.58 -5.06 105.19 105.96 2jka n GLY 275 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.87 5.95 -0.24 1.61 1.01 -1.26 -4.60 116.67 116.26 2jka s ASP 276 Ca 0.00 1.13 0.14 0.00 0.71 0.00 0.00 52.55 54.54 2jka s ASP 276 Cb 0.00 -2.17 0.46 0.00 1.01 0.00 0.00 42.92 42.22 2jka s ASP 276 CO 0.00 -0.95 1.17 0.29 0.21 0.00 0.00 175.17 175.89 2jka n LYS 277 N -2.68 2.38 0.00 8.23 5.02 -0.28 0.29 118.16 131.11 2jka n LYS 277 Ca 0.05 -3.62 0.00 0.00 -2.02 0.00 0.00 58.31 52.72 2jka n LYS 277 Cb 0.56 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 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 -0.62 4.19 3.56 0.72 0.00 -1.25 -4.58 105.19 107.21 2jka n GLY 278 Ca 0.25 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.01 3.22 0.06 1.61 1.51 -1.26 -0.88 117.35 121.60 2jka s TYR 279 Ca 0.00 0.03 0.06 0.00 -1.01 0.00 0.00 57.07 56.16 2jka s TYR 279 Cb 0.00 -2.56 -0.04 0.00 -0.11 0.00 0.00 41.96 39.25 2jka s TYR 279 CO 0.00 -0.33 -0.13 -1.64 -1.11 0.00 0.00 175.55 172.34 2jka s MET 280 N 1.92 2.16 -0.10 -0.62 -1.94 0.52 -4.99 119.30 116.25 2jka s MET 280 Ca 0.10 -0.97 -0.03 0.00 -1.71 0.00 0.00 55.69 53.08 2jka s MET 280 Cb -0.16 -2.29 0.05 0.00 2.01 0.00 0.00 34.83 34.44 2jka s MET 280 CO 0.11 0.53 0.14 -1.14 -0.01 0.00 0.00 175.02 174.65 2jka s GLN 281 N -1.79 0.03 0.55 2.03 0.74 -1.26 -1.62 119.66 118.33 2jka s GLN 281 Ca 0.18 0.43 -0.20 0.00 0.05 0.00 0.00 55.36 55.81 2jka s GLN 281 Cb -0.11 -0.57 -0.05 0.00 1.10 0.00 0.00 33.01 33.38 2jka s GLN 281 CO 0.09 -0.38 1.20 0.95 -0.55 0.00 0.00 175.29 176.60 2jka s THR 282 N 2.26 2.79 0.18 -0.34 -4.23 -0.27 -3.89 115.64 112.13 2jka s THR 282 Ca 0.04 0.52 -0.30 0.00 -1.18 0.00 0.00 61.69 60.77 2jka s THR 282 Cb -0.13 -3.23 -0.07 0.00 1.34 0.00 0.00 72.50 70.41 2jka s THR 282 CO -0.06 -0.07 1.01 -2.16 -0.54 0.00 0.00 174.62 172.79 2jka s PRO 283 N -3.12 4.71 0.16 3.99 0.04 -1.26 -4.72 135.00 134.79 2jka s PRO 283 Ca 0.73 1.57 -0.15 0.00 0.04 0.00 0.00 61.00 63.18 2jka s PRO 283 Cb -0.30 -3.31 0.02 0.00 0.04 0.00 0.00 34.50 30.96 2jka s PRO 283 CO 0.34 0.25 0.42 0.00 0.04 0.00 0.00 177.00 178.05 2jka s ASN 285 N -2.86 1.83 0.82 0.00 0.01 -1.26 -0.14 114.94 113.34 2jka s ASN 285 Ca 0.08 -0.64 -0.12 0.00 -0.71 0.00 0.00 52.86 51.47 2jka s ASN 285 Cb 0.01 -0.06 0.08 0.00 0.41 0.00 0.00 41.25 41.69 2jka s ASN 285 CO -0.07 -0.06 1.10 0.42 -1.51 0.00 0.00 177.10 176.99 2jka s THR 286 N -1.30 2.91 1.02 1.60 -4.23 0.43 -4.99 115.64 111.08 2jka s THR 286 Ca -0.00 0.30 -0.11 0.00 -1.18 0.00 0.00 61.69 60.69 2jka s THR 286 Cb -0.10 -3.01 0.20 0.00 1.34 0.00 0.00 72.50 70.94 2jka s THR 286 CO 0.03 -0.39 1.10 -2.84 -0.54 0.00 0.00 174.62 171.98 2jka s PRO 287 N -5.14 0.19 0.57 3.99 0.02 -1.26 -4.59 135.00 128.77 2jka s PRO 287 Ca 0.61 1.29 -0.19 0.00 0.02 0.00 0.00 61.00 62.74 2jka s PRO 287 Cb -0.15 -1.65 -0.05 0.00 0.02 0.00 0.00 34.50 32.67 2jka s PRO 287 CO 0.54 -3.11 1.15 -1.58 -0.33 0.00 0.00 177.00 173.67 2jka s TRP 288 N -2.56 2.58 -0.07 6.54 0.52 -0.21 -4.59 118.94 121.16 2jka s TRP 288 Ca 0.68 1.54 0.02 0.00 0.02 0.00 0.00 56.10 58.35 2jka s TRP 288 Cb -0.24 -3.34 -0.03 0.00 -1.15 0.00 0.00 33.47 28.71 2jka s TRP 288 CO 0.61 -1.78 -0.12 1.03 0.02 0.00 0.00 176.95 176.71 2jka s ARG 289 N -3.35 2.71 -0.02 4.98 3.00 0.17 -1.37 118.95 125.07 2jka s ARG 289 Ca 0.74 -0.64 0.04 0.00 0.00 0.00 0.00 55.73 55.87 2jka s ARG 289 Cb -0.26 -2.49 -0.01 0.00 0.00 0.00 0.00 34.95 32.20 2jka s ARG 289 CO 0.30 0.58 -0.14 0.95 0.00 0.00 0.00 175.30 176.98 2jka s THR 290 N -0.60 1.15 -0.28 0.02 -4.23 -0.05 -1.17 115.64 110.48 2jka s THR 290 Ca 0.09 -0.61 0.02 0.00 -1.18 0.00 0.00 61.69 60.01 2jka s THR 290 Cb -0.11 -0.97 0.06 0.00 1.34 0.00 0.00 72.50 72.82 2jka s THR 290 CO 0.01 0.33 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.72 2jka s ILE 291 N -0.25 2.32 -0.23 2.99 1.09 0.50 -2.11 121.20 125.51 2jka s ILE 291 Ca 0.04 -1.70 -0.10 0.00 -1.10 0.00 0.00 60.65 57.79 2jka s ILE 291 Cb -0.07 -2.41 -0.05 0.00 -1.06 0.00 0.00 42.46 38.88 2jka s ILE 291 CO -0.00 -0.12 0.14 -0.63 -0.10 0.00 0.00 174.94 174.22 2jka s ILE 292 N 1.10 5.16 -0.03 2.92 1.01 -0.11 -0.88 121.20 130.36 2jka s ILE 292 Ca -0.06 0.11 -0.03 0.00 0.00 0.00 0.00 60.65 60.67 2jka s ILE 292 Cb -0.20 -3.40 0.01 0.00 0.01 0.00 0.00 42.46 38.88 2jka s ILE 292 CO -0.05 0.36 0.09 0.54 0.00 0.00 0.00 174.94 175.88 2jka s VAL 293 N 1.01 0.00 0.15 2.92 0.11 -0.21 -0.60 120.40 123.78 2jka s VAL 293 Ca 0.07 -0.01 -0.21 0.00 -2.93 0.00 0.00 61.98 58.90 2jka s VAL 293 Cb -0.14 -0.14 0.06 0.00 -1.53 0.00 0.00 36.38 34.64 2jka s VAL 293 CO 0.04 -0.00 0.53 -0.55 -3.33 0.00 0.00 175.10 171.79 2jka s SER 294 N 0.04 -0.45 0.00 3.54 0.15 -0.99 -4.50 113.70 111.48 2jka s SER 294 Ca -0.00 -0.10 0.23 0.00 0.70 0.00 0.00 55.95 56.78 2jka s SER 294 Cb -0.01 0.56 1.02 0.00 -1.71 0.00 0.00 66.02 65.88 2jka s SER 294 CO 0.00 -0.92 1.70 -0.90 1.20 0.00 0.00 173.24 174.32 2jka n ASP 295 N -0.31 1.10 -3.95 5.45 5.68 -1.26 -0.60 116.55 122.66 2jka n ASP 295 Ca -0.17 -1.52 -0.29 0.00 -0.50 0.00 0.00 54.79 52.31 2jka n ASP 295 Cb 0.64 -0.05 -0.16 0.00 -1.14 0.00 0.00 41.12 40.42 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 -1.72 3.08 0.53 -1.12 -1.08 -1.26 -4.85 116.67 110.25 2jka s ASP 296 Ca 0.34 -0.75 0.19 0.00 -0.52 0.00 0.00 52.55 51.82 2jka s ASP 296 Cb 0.18 -1.09 1.32 0.00 -1.46 0.00 0.00 42.92 41.87 2jka s ASP 296 CO 0.28 -0.15 2.10 0.00 0.52 0.00 0.00 175.17 177.92 2jka h ALA 297 N 8.04 2.16 -0.18 3.66 0.00 -1.86 0.37 119.26 131.46 2jka h ALA 297 Ca -0.27 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.68 2jka h ALA 297 Cb 1.11 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2jka h ALA 297 CO 0.45 -0.22 0.14 0.00 0.00 0.00 0.00 179.25 179.62 2jka h ARG 298 N 0.00 0.00 0.00 0.00 3.08 -1.94 -2.26 114.38 113.25 2jka h ARG 298 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2jka h ARG 298 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2jka h ARG 298 CO -0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 2jka n ASN 299 N -4.37 0.57 -0.01 7.04 3.02 0.12 -2.22 115.26 119.41 2jka n ASN 299 Ca 0.01 0.56 -0.13 0.00 -0.03 0.00 0.00 54.58 55.00 2jka n ASN 299 Cb 0.27 -0.71 -0.09 0.00 -0.61 0.00 0.00 39.78 38.64 2jka n ASN 299 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2jka h ILE 300 N 0.00 1.32 -0.64 2.41 1.08 -1.51 -2.26 117.51 117.91 2jka h ILE 300 Ca 0.00 -0.97 0.03 0.00 -0.39 0.00 0.00 64.86 63.53 2jka h ILE 300 Cb 0.64 1.94 -0.04 0.00 -3.07 0.00 0.00 36.82 36.30 2jka h ILE 300 CO 0.00 0.26 0.43 -0.07 -0.69 0.00 0.00 178.15 178.07 2jka h LEU 301 N -0.36 0.67 -0.06 1.44 3.38 -1.56 -2.42 115.31 116.40 2jka h LEU 301 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jka h LEU 301 Cb 0.42 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2jka h LEU 301 CO 0.00 0.46 0.00 0.00 0.09 0.00 0.00 178.44 179.00 2jka n ALA 302 N -2.45 2.23 -1.79 1.53 0.00 -0.94 -4.87 120.51 114.21 2jka n ALA 302 Ca 0.08 -0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 2jka n ALA 302 Cb 0.12 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.09 2jka n ALA 302 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jka s SER 303 N -4.38 6.68 -0.18 0.00 0.15 -0.86 -4.91 113.70 110.21 2jka s SER 303 Ca 0.10 2.74 0.15 0.00 0.70 0.00 0.00 55.95 59.65 2jka s SER 303 Cb 0.13 -2.65 0.40 0.00 -1.71 0.00 0.00 66.02 62.19 2jka s SER 303 CO 0.57 -0.62 1.28 0.54 1.20 0.00 0.00 173.24 176.21 2jka n ARG 304 N 1.05 1.81 -0.08 5.44 5.12 -1.26 -4.78 116.66 123.96 2jka n ARG 304 Ca 0.01 -2.87 -0.07 0.00 -1.93 0.00 0.00 57.85 52.99 2jka n ARG 304 Cb 0.41 -1.65 -0.00 0.00 -1.16 0.00 0.00 32.46 30.06 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 0.77 0.87 0.10 0.55 2.04 -1.95 0.46 117.51 120.33 2jka h ILE 305 Ca 0.03 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.85 2jka h ILE 305 Cb 1.21 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 2jka h ILE 305 CO 0.11 0.03 -0.23 0.74 0.00 0.00 0.00 178.15 178.81 2jka h THR 306 N 0.18 0.48 -0.91 -0.27 2.02 -1.94 -0.84 112.91 111.63 2jka h THR 306 Ca 0.14 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 2jka h THR 306 Cb 0.14 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 2jka h THR 306 CO -0.17 0.00 0.53 -0.07 0.37 0.00 0.00 175.52 176.18 2jka h LEU 307 N -0.42 1.11 -1.49 2.58 3.38 -1.83 -2.99 115.31 115.65 2jka h LEU 307 Ca 0.03 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2jka h LEU 307 Cb 0.45 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2jka h LEU 307 CO -0.14 0.86 0.11 0.78 0.09 0.00 0.00 178.44 180.14 2jka h ASN 308 N 1.26 0.41 0.12 -0.43 -0.26 -0.29 -2.03 115.58 114.35 2jka h ASN 308 Ca 0.32 -0.04 0.00 0.00 -0.56 0.00 0.00 56.30 56.03 2jka h ASN 308 Cb -0.03 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.13 2jka h ASN 308 CO -0.06 0.39 -0.00 0.18 -1.06 0.00 0.00 177.43 176.88 2jka n LEU 309 N -4.39 0.02 -4.92 1.61 4.77 -0.38 -4.85 117.00 108.86 2jka n LEU 309 Ca 0.02 0.05 -0.27 0.00 -0.03 0.00 0.00 56.01 55.78 2jka n LEU 309 Cb 0.14 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 2jka n LEU 309 CO 0.37 0.00 0.24 0.20 -1.33 0.00 0.00 177.39 176.86 2jka s ASN 310 N -2.12 6.37 0.52 -1.43 0.01 -0.76 -4.75 114.94 112.77 2jka s ASN 310 Ca 0.44 0.67 -0.22 0.00 -0.71 0.00 0.00 52.86 53.05 2jka s ASN 310 Cb 0.22 -2.13 -0.06 0.00 0.41 0.00 0.00 41.25 39.69 2jka s ASN 310 CO 0.39 -0.29 1.24 -1.61 -1.51 0.00 0.00 177.10 175.32 2jka s GLU 311 N -3.97 3.38 0.82 -0.60 0.41 -1.26 -4.93 118.70 112.54 2jka s GLU 311 Ca 0.43 1.95 -0.13 0.00 -0.41 0.00 0.00 54.97 56.82 2jka s GLU 311 Cb -0.10 -2.26 0.08 0.00 -1.78 0.00 0.00 34.13 30.07 2jka s GLU 311 CO 0.34 -0.92 1.15 -2.30 -0.49 0.00 0.00 175.26 173.04 2jka n PRO 312 N -0.90 0.13 -1.57 0.39 -0.02 -1.26 -3.13 135.00 128.64 2jka n PRO 312 Ca 0.10 0.12 -0.58 0.00 -2.02 0.00 0.00 63.50 61.11 2jka n PRO 312 Cb 0.47 -2.39 -0.08 0.00 -0.02 0.00 0.00 33.50 31.48 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 2.28 1.63 -3.29 0.00 5.02 -0.30 -4.83 118.16 118.68 2jka n LYS 314 Ca 0.21 -1.62 -0.45 0.00 -2.02 0.00 0.00 58.31 54.42 2jka n LYS 314 Cb 0.09 -1.36 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.58 5.14 0.33 -0.18 1.01 -1.25 -4.94 121.20 119.72 2jka s ILE 315 Ca 0.22 -1.33 0.09 0.00 0.00 0.00 0.00 60.65 59.64 2jka s ILE 315 Cb 0.16 -4.33 0.07 0.00 0.01 0.00 0.00 42.46 38.37 2jka s ILE 315 CO 0.24 -0.87 1.77 0.00 0.00 0.00 0.00 174.94 176.08 2jka h ALA 316 N 8.92 1.25 -0.58 9.38 0.00 -1.98 -2.08 119.26 134.17 2jka h ALA 316 Ca -0.30 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2jka h ALA 316 Cb 1.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jka h ALA 316 CO 1.02 0.52 0.00 -0.40 0.00 0.00 0.00 179.25 180.40 2jka n ASP 317 N -4.07 5.50 -0.21 0.00 5.75 -1.26 -4.72 116.55 117.53 2jka n ASP 317 Ca -0.01 -2.83 0.02 0.00 -0.01 0.00 0.00 54.79 51.95 2jka n ASP 317 Cb 0.43 -0.66 0.12 0.00 -1.03 0.00 0.00 41.12 39.98 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 3.97 0.72 -0.27 2.12 0.00 -1.80 -0.23 119.26 123.78 2jka h ALA 318 Ca 0.00 0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.15 2jka h ALA 318 Cb 1.86 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.90 2jka h ALA 318 CO 0.43 -0.36 0.24 0.00 0.00 0.00 0.00 179.25 179.57 2jka h ALA 319 N 1.55 2.02 0.00 0.00 0.00 -1.85 0.21 119.26 121.19 2jka h ALA 319 Ca 0.34 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2jka h ALA 319 Cb 0.55 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2jka h ALA 319 CO -0.49 -0.38 -0.15 0.66 0.00 0.00 0.00 179.25 178.90 2jka h SER 320 N 0.00 0.00 0.00 0.00 4.64 -1.41 -3.40 113.55 113.38 2jka h SER 320 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2jka h SER 320 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2jka h SER 320 CO -0.00 0.15 -0.40 -2.67 -0.87 0.00 0.00 176.83 173.03 2jka n TRP 321 N -3.17 0.00 -2.44 4.77 4.27 -0.36 -5.02 117.44 115.49 2jka n TRP 321 Ca 0.02 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.21 2jka n TRP 321 Cb 0.53 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.45 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 -1.08 4.27 -0.04 -1.67 1.01 0.59 -5.01 120.40 118.47 2jka s VAL 322 Ca 0.00 1.56 -0.06 0.00 0.00 0.00 0.00 61.98 63.48 2jka s VAL 322 Cb 0.00 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.39 2jka s VAL 322 CO 0.00 -0.09 0.14 -0.54 0.00 0.00 0.00 175.10 174.62 2jka s LYS 323 N 3.01 0.26 0.76 2.72 1.02 -1.26 -4.78 119.74 121.47 2jka s LYS 323 Ca 0.55 0.03 -0.14 0.00 0.02 0.00 0.00 55.97 56.43 2jka s LYS 323 Cb -0.23 0.12 0.06 0.00 -0.52 0.00 0.00 37.83 37.26 2jka s LYS 323 CO 0.17 -0.05 1.21 -2.14 -0.92 0.00 0.00 175.35 173.62 2jka s PRO 324 N -0.35 1.94 -0.05 -1.68 0.02 -1.26 -5.03 135.00 128.59 2jka s PRO 324 Ca -0.04 1.76 -0.01 0.00 0.02 0.00 0.00 61.00 62.73 2jka s PRO 324 Cb -0.03 -1.81 0.03 0.00 0.02 0.00 0.00 34.50 32.71 2jka s PRO 324 CO 0.01 -1.99 0.02 0.08 -0.33 0.00 0.00 177.00 174.78 2jka s VAL 325 N -2.05 0.20 -0.18 3.83 1.01 0.12 -5.02 120.40 118.32 2jka s VAL 325 Ca 0.74 0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.83 2jka s VAL 325 Cb -0.29 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 2jka s VAL 325 CO 0.47 0.21 0.08 -0.75 0.00 0.00 0.00 175.10 175.11 2jka s LYS 326 N 1.73 3.99 0.13 2.72 2.20 -1.26 -1.22 119.74 128.02 2jka s LYS 326 Ca 0.00 -0.31 -0.04 0.00 -0.36 0.00 0.00 55.97 55.26 2jka s LYS 326 Cb -0.13 -3.25 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 2jka s LYS 326 CO -0.03 0.30 0.12 1.52 -0.36 0.00 0.00 175.35 176.90 2jka s TYR 327 N 0.30 0.62 0.49 4.03 -0.85 -0.33 -0.80 117.35 120.81 2jka s TYR 327 Ca 0.05 -1.02 0.02 0.00 -0.52 0.00 0.00 57.07 55.60 2jka s TYR 327 Cb -0.12 -0.31 -0.02 0.00 0.38 0.00 0.00 41.96 41.90 2jka s TYR 327 CO -0.00 -0.56 0.03 0.96 -1.52 0.00 0.00 175.55 174.45 2jka s ILE 328 N -3.99 1.06 0.00 -3.49 -4.36 -0.97 -1.06 121.20 108.39 2jka s ILE 328 Ca 0.18 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.28 2jka s ILE 328 Cb 0.06 -2.20 0.07 0.00 1.25 0.00 0.00 42.46 41.64 2jka s ILE 328 CO -0.01 0.00 0.66 -0.83 0.24 0.00 0.00 174.94 174.99 2jka s GLY 329 N -3.83 -0.59 -0.70 6.27 0.00 -1.26 -0.86 107.32 106.36 2jka s GLY 329 Ca 0.09 1.11 -0.27 0.00 0.00 0.00 0.00 44.72 45.65 2jka s GLY 329 CO 0.05 0.75 1.24 0.14 0.00 0.00 0.00 173.10 175.28 2jka s VAL 330 N -1.84 3.83 0.08 1.40 1.01 0.39 -4.41 120.40 120.87 2jka s VAL 330 Ca -0.08 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.37 2jka s VAL 330 Cb -0.00 -4.86 0.00 0.00 0.00 0.00 0.00 36.38 31.52 2jka s VAL 330 CO 0.04 -1.71 0.00 1.87 0.00 0.00 0.00 175.10 175.30 2jka n TRP 331 N 9.04 -2.73 0.12 5.22 -0.00 -1.26 -2.35 117.44 125.47 2jka n TRP 331 Ca 0.04 0.27 0.08 0.00 -0.00 0.00 0.00 57.50 57.89 2jka n TRP 331 Cb 0.49 1.09 0.55 0.00 -0.00 0.00 0.00 31.31 33.44 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 0.23 -0.76 5.87 -0.00 -1.77 -0.56 115.95 118.96 2jka h TRP 332 Ca 0.00 0.01 0.17 0.00 -0.00 0.00 0.00 58.89 59.06 2jka h TRP 332 Cb 0.00 -0.08 -0.14 0.00 -0.00 0.00 0.00 29.16 28.94 2jka h TRP 332 CO 0.00 0.14 -0.07 -0.44 -0.00 0.00 0.00 178.44 178.07 2jka h ASP 333 N 0.24 -0.49 0.32 2.65 5.19 -1.92 -0.95 116.42 121.46 2jka h ASP 333 Ca 0.10 0.21 -0.33 0.00 -0.62 0.00 0.00 57.03 56.39 2jka h ASP 333 Cb 0.09 0.40 0.02 0.00 0.18 0.00 0.00 39.33 40.02 2jka h ASP 333 CO -0.02 -0.21 -1.56 0.24 -3.12 0.00 0.00 179.24 174.56 2jka h MET 334 N 0.05 0.40 -0.79 3.56 2.86 -1.29 0.85 114.93 120.57 2jka h MET 334 Ca 0.40 -0.68 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 2jka h MET 334 Cb 0.67 0.25 -0.04 0.00 0.06 0.00 0.00 31.60 32.55 2jka h MET 334 CO -0.72 1.30 0.46 0.82 1.06 0.00 0.00 176.91 179.84 2jka h ILE 335 N 0.11 1.22 0.00 -1.22 1.08 -1.27 -2.24 117.51 115.20 2jka h ILE 335 Ca -0.27 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 63.69 2jka h ILE 335 Cb 2.09 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 35.97 2jka h ILE 335 CO 0.21 0.24 -0.12 0.71 -0.69 0.00 0.00 178.15 178.50 2jka h THR 336 N 1.09 0.00 0.00 -0.27 1.35 -1.20 -3.47 112.91 110.41 2jka h THR 336 Ca 0.28 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2jka h THR 336 Cb -0.02 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 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 1.19 0.71 0.35 5.82 0.00 -0.79 -4.67 105.19 107.79 2jka n GLY 337 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 3.99 1.04 -5.06 1.61 3.64 -1.09 -3.46 116.57 117.25 2jka h LYS 338 Ca 0.00 -0.09 -0.53 0.00 -1.27 0.00 0.00 60.65 58.76 2jka h LYS 338 Cb 0.00 -0.22 -0.13 0.00 -0.41 0.00 0.00 32.23 31.47 2jka h LYS 338 CO 0.00 0.73 -0.54 0.20 -2.27 0.00 0.00 179.45 177.58 2jka s GLY 339 N -3.36 2.45 0.11 5.01 0.00 -0.51 -4.99 107.32 106.03 2jka s GLY 339 Ca -0.11 -1.44 0.10 0.00 0.00 0.00 0.00 44.72 43.26 2jka s GLY 339 CO 0.80 -1.81 -0.24 -0.45 0.00 0.00 0.00 173.10 171.40 2jka s SER 340 N -3.56 2.97 0.18 1.64 0.15 -0.05 -4.23 113.70 110.79 2jka s SER 340 Ca 0.27 -0.71 0.07 0.00 0.70 0.00 0.00 55.95 56.28 2jka s SER 340 Cb 0.04 -0.19 0.03 0.00 -1.71 0.00 0.00 66.02 64.20 2jka s SER 340 CO 0.15 0.13 1.42 -0.50 1.20 0.00 0.00 173.24 175.64 2jka h TRP 341 N 4.03 0.10 -4.12 3.44 6.55 -1.90 -3.22 115.95 120.83 2jka h TRP 341 Ca -0.49 -0.05 -0.48 0.00 0.95 0.00 0.00 58.89 58.82 2jka h TRP 341 Cb 1.17 -0.01 0.05 0.00 -0.86 0.00 0.00 29.16 29.51 2jka h TRP 341 CO 0.60 0.87 0.39 0.00 -1.05 0.00 0.00 178.44 179.25 2jka s ALA 342 N -3.15 2.78 -0.01 1.49 0.00 -1.26 -4.57 121.76 117.03 2jka s ALA 342 Ca -0.01 0.58 0.06 0.00 0.00 0.00 0.00 51.96 52.59 2jka s ALA 342 Cb 0.11 -3.27 -0.24 0.00 0.00 0.00 0.00 23.12 19.72 2jka s ALA 342 CO 0.80 -0.59 0.79 -0.92 0.00 0.00 0.00 175.76 175.84 2jka h TYR 343 N 1.08 0.17 -3.98 0.00 3.20 -1.90 -3.40 116.97 112.14 2jka h TYR 343 Ca -0.49 -0.12 -0.21 0.00 3.14 0.00 0.00 58.73 61.05 2jka h TYR 343 Cb 1.23 -0.01 -0.20 0.00 1.54 0.00 0.00 36.73 39.29 2jka h TYR 343 CO 0.56 1.18 -0.71 -0.08 -1.64 0.00 0.00 178.16 177.47 2jka s THR 344 N -2.62 0.32 -1.84 1.81 -1.32 -1.26 -1.55 115.64 109.18 2jka s THR 344 Ca -0.07 -1.10 0.15 0.00 -1.21 0.00 0.00 61.69 59.47 2jka s THR 344 Cb 0.08 -0.57 0.10 0.00 -1.51 0.00 0.00 72.50 70.60 2jka s THR 344 CO 0.83 -0.51 0.96 0.47 -2.21 0.00 0.00 174.62 174.15 2jka n ASP 345 N 1.35 2.15 0.24 8.08 8.00 -1.26 -4.72 116.55 130.39 2jka n ASP 345 Ca -0.22 -1.58 0.16 0.00 0.71 0.00 0.00 54.79 53.86 2jka n ASP 345 Cb 0.56 0.09 0.65 0.00 -0.02 0.00 0.00 41.12 42.40 2jka n ASP 345 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2jka h GLU 346 N 2.79 0.00 -6.27 -1.24 5.08 -1.96 -3.46 114.58 109.52 2jka h GLU 346 Ca 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 2jka h GLU 346 Cb 0.62 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.68 2jka h GLU 346 CO 0.00 0.00 -0.72 -0.51 -1.00 0.00 0.00 179.01 176.78 2jka s LEU 347 N -5.76 3.07 0.28 1.33 1.43 -1.26 -5.00 118.68 112.76 2jka s LEU 347 Ca 0.02 -0.13 0.12 0.00 -1.03 0.00 0.00 54.13 53.10 2jka s LEU 347 Cb 0.09 -1.72 0.35 0.00 0.03 0.00 0.00 46.19 44.94 2jka s LEU 347 CO 0.50 0.31 1.59 0.74 0.23 0.00 0.00 176.35 179.73 2jka h THR 348 N 4.00 1.33 -2.74 5.49 2.02 -2.00 -3.47 112.91 117.54 2jka h THR 348 Ca -0.48 -2.14 0.10 0.00 0.77 0.00 0.00 66.41 64.65 2jka h THR 348 Cb 1.17 2.19 -0.05 0.00 -1.74 0.00 0.00 68.15 69.72 2jka h THR 348 CO 0.52 0.59 0.36 -0.94 0.37 0.00 0.00 175.52 176.42 2jka s SER 349 N -6.72 -0.16 0.10 4.18 1.04 -1.26 -5.05 113.70 105.83 2jka s SER 349 Ca -0.01 -0.65 0.06 0.00 0.48 0.00 0.00 55.95 55.83 2jka s SER 349 Cb 0.12 0.65 -0.03 0.00 0.10 0.00 0.00 66.02 66.86 2jka s SER 349 CO 0.75 -1.23 -0.15 0.68 0.98 0.00 0.00 173.24 174.27 2jka s VAL 350 N -3.23 1.28 -0.19 5.02 -7.23 -1.26 -5.08 120.40 109.70 2jka s VAL 350 Ca 0.13 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 2jka s VAL 350 Cb -0.04 -1.35 0.05 0.00 0.56 0.00 0.00 36.38 35.60 2jka s VAL 350 CO 0.06 -0.30 -0.06 -0.54 -0.31 0.00 0.00 175.10 173.95 2jka s LYS 351 N -2.22 1.60 0.28 4.82 1.02 -1.26 -5.01 119.74 118.98 2jka s LYS 351 Ca 0.04 -0.69 -0.30 0.00 0.02 0.00 0.00 55.97 55.04 2jka s LYS 351 Cb -0.07 -2.24 -0.11 0.00 -0.52 0.00 0.00 37.83 34.89 2jka s LYS 351 CO 0.03 -0.47 1.57 -0.51 -0.92 0.00 0.00 175.35 175.04 2jka s LEU 352 N 1.53 4.35 0.00 3.17 1.43 -1.26 -0.10 118.68 127.80 2jka s LEU 352 Ca -0.01 2.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.98 2jka s LEU 352 Cb -0.16 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.43 2jka s LEU 352 CO -0.08 -0.87 0.00 0.61 0.23 0.00 0.00 176.35 176.24 2jka n GLY 353 N 2.18 1.52 1.15 -3.19 0.00 -1.26 -4.77 105.19 100.82 2jka n GLY 353 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 -1.82 1.61 1.02 0.56 -5.02 120.64 114.99 2jka n GLU 354 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 2jka n GLU 354 Cb 0.00 -0.42 -0.03 0.00 -0.02 0.00 0.00 31.44 30.97 2jka n GLU 354 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2jka s THR 355 N -1.99 2.57 -0.65 2.62 2.01 0.85 -4.95 115.64 116.11 2jka s THR 355 Ca 0.00 0.24 -0.13 0.00 0.31 0.00 0.00 61.69 62.12 2jka s THR 355 Cb 0.00 -3.16 0.17 0.00 0.01 0.00 0.00 72.50 69.52 2jka s THR 355 CO 0.00 0.01 0.57 -0.62 -0.69 0.00 0.00 174.62 173.89 2jka s ASP 356 N 1.96 6.23 0.49 3.53 -1.08 -1.26 -4.93 116.67 121.60 2jka s ASP 356 Ca 0.75 -2.28 0.16 0.00 -0.52 0.00 0.00 52.55 50.66 2jka s ASP 356 Cb -0.45 -2.14 1.17 0.00 -1.46 0.00 0.00 42.92 40.04 2jka s ASP 356 CO 0.33 -0.66 2.08 1.88 0.52 0.00 0.00 175.17 179.32 2jka h TYR 357 N 8.17 0.00 0.00 -5.34 -1.99 -1.96 0.55 116.97 116.40 2jka h TYR 357 Ca -0.09 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.64 2jka h TYR 357 Cb 1.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.79 2jka h TYR 357 CO 0.83 0.08 0.00 0.66 -0.00 0.00 0.00 178.16 179.73 2jka h SER 358 N 0.00 0.00 -0.49 3.88 4.64 -2.01 0.34 113.55 119.91 2jka h SER 358 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jka h SER 358 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2jka h SER 358 CO 0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 2jka n LYS 359 N -2.77 2.27 -4.22 4.77 4.76 0.18 -4.94 118.16 118.22 2jka n LYS 359 Ca -0.02 -1.96 -0.24 0.00 -2.87 0.00 0.00 58.31 53.23 2jka n LYS 359 Cb 0.11 -1.44 -0.06 0.00 -1.84 0.00 0.00 35.03 31.79 2jka n LYS 359 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2jka s THR 360 N -1.35 3.84 -0.24 -0.18 -4.23 0.11 -5.06 115.64 108.52 2jka s THR 360 Ca 0.37 -1.63 -0.22 0.00 -1.18 0.00 0.00 61.69 59.03 2jka s THR 360 Cb 0.20 -3.03 -0.01 0.00 1.34 0.00 0.00 72.50 70.99 2jka s THR 360 CO 0.27 -0.30 0.71 -0.75 -0.54 0.00 0.00 174.62 174.00 2jka s LYS 361 N -3.55 4.15 0.36 3.99 2.20 -1.26 -5.03 119.74 120.60 2jka s LYS 361 Ca 0.31 0.71 -0.27 0.00 -0.36 0.00 0.00 55.97 56.35 2jka s LYS 361 Cb -0.08 -3.64 -0.12 0.00 -1.51 0.00 0.00 37.83 32.49 2jka s LYS 361 CO 0.21 -0.44 1.27 -2.30 -0.36 0.00 0.00 175.35 173.74 2jka n PRO 362 N 5.76 2.05 0.00 4.03 -0.02 -1.26 -4.24 135.00 141.31 2jka n PRO 362 Ca 0.02 0.72 0.15 0.00 -2.02 0.00 0.00 63.50 62.37 2jka n PRO 362 Cb 0.48 -2.33 0.81 0.00 -0.02 0.00 0.00 33.50 32.44 2jka n PRO 362 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2jka n ASN 363 N 0.63 0.17 0.00 2.55 0.23 -0.60 -4.89 115.26 113.35 2jka n ASN 363 Ca 0.05 -0.68 0.00 0.00 -0.53 0.00 0.00 54.58 53.43 2jka n ASN 363 Cb 0.37 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.96 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 1.15 0.79 0.00 4.83 0.00 -1.26 -4.83 105.19 105.87 2jka n GLY 364 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2jka n GLY 364 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jka n LYS 365 N -2.18 0.03 -2.56 1.61 5.02 -1.26 -5.01 118.16 113.80 2jka n LYS 365 Ca 0.00 -0.66 -0.41 0.00 -2.02 0.00 0.00 58.31 55.22 2jka n LYS 365 Cb 0.01 -0.92 -0.03 0.00 -0.02 0.00 0.00 35.03 34.07 2jka n LYS 365 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2jka s HIS 366 N -0.22 2.31 0.34 2.13 2.46 -1.26 -0.87 115.29 120.18 2jka s HIS 366 Ca 0.00 -0.03 0.22 0.00 0.47 0.00 0.00 55.06 55.71 2jka s HIS 366 Cb 0.00 -4.62 1.09 0.00 -0.13 0.00 0.00 32.58 28.92 2jka s HIS 366 CO 0.00 -2.04 1.94 0.77 -2.47 0.00 0.00 174.74 172.94 2jka h SER 367 N 9.99 0.00 -0.47 9.88 0.02 -1.88 -3.32 113.55 127.77 2jka h SER 367 Ca -0.28 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 59.97 2jka h SER 367 Cb 1.05 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.55 2jka h SER 367 CO 1.27 0.23 3.18 0.00 -1.14 0.00 0.00 176.83 180.37 2jka n ALA 368 N -2.33 6.91 -2.61 3.77 0.00 -1.26 -4.53 120.51 120.45 2jka n ALA 368 Ca -0.01 -3.81 -0.31 0.00 0.00 0.00 0.00 53.44 49.31 2jka n ALA 368 Cb 0.33 -3.18 -0.10 0.00 0.00 0.00 0.00 19.45 16.51 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 1.63 4.66 0.24 0.00 4.22 -1.25 -4.38 114.94 120.06 2jka s ASN 369 Ca 0.60 -0.22 -0.10 0.00 -2.14 0.00 0.00 52.86 51.00 2jka s ASN 369 Cb 0.17 -1.04 0.36 0.00 1.28 0.00 0.00 41.25 42.01 2jka s ASN 369 CO -0.07 0.23 1.62 0.74 -2.04 0.00 0.00 177.10 177.58 2jka h THR 370 N 3.40 0.31 -0.40 0.54 2.02 -1.33 0.25 112.91 117.70 2jka h THR 370 Ca -0.48 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 2jka h THR 370 Cb 1.17 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2jka h THR 370 CO 0.55 0.01 0.14 0.00 0.37 0.00 0.00 175.52 176.59 2jka h ALA 371 N 1.71 0.52 -0.19 6.16 0.00 -1.96 -0.27 119.26 125.24 2jka h ALA 371 Ca 0.38 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2jka h ALA 371 Cb 0.62 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2jka h ALA 371 CO -0.71 0.14 0.10 -0.97 0.00 0.00 0.00 179.25 177.82 2jka h ASN 372 N 0.50 0.23 -0.97 0.00 -1.24 -1.70 -2.35 115.58 110.05 2jka h ASN 372 Ca 0.13 -0.08 0.12 0.00 0.71 0.00 0.00 56.30 57.18 2jka h ASN 372 Cb 0.22 -0.06 -0.09 0.00 0.73 0.00 0.00 38.32 39.13 2jka h ASN 372 CO -0.01 0.25 0.59 0.58 -1.29 0.00 0.00 177.43 177.55 2jka h VAL 373 N 0.20 0.88 -0.16 2.57 2.07 -0.73 -1.25 116.25 119.84 2jka h VAL 373 Ca 0.07 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.16 2jka h VAL 373 Cb 0.07 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.71 2jka h VAL 373 CO -0.01 0.17 -0.40 0.11 0.02 0.00 0.00 177.57 177.46 2jka h LYS 374 N 0.92 0.35 -0.24 1.57 1.57 -0.81 -0.75 116.57 119.18 2jka h LYS 374 Ca 0.49 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 59.03 2jka h LYS 374 Cb 0.52 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2jka h LYS 374 CO -0.28 0.70 -0.15 0.00 -0.57 0.00 0.00 179.45 179.14 2jka h ARG 375 N 0.29 0.41 -0.28 3.15 3.08 -0.73 -0.33 114.38 119.98 2jka h ARG 375 Ca 0.03 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 2jka h ARG 375 Cb 0.84 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 2jka h ARG 375 CO 0.07 0.56 0.06 1.88 -1.07 0.00 0.00 179.97 181.47 2jka h TYR 376 N 0.38 0.47 -0.54 3.04 -1.99 -0.58 -2.52 116.97 115.23 2jka h TYR 376 Ca 0.07 -0.06 0.08 0.00 2.00 0.00 0.00 58.73 60.82 2jka h TYR 376 Cb 0.50 -0.13 -0.07 0.00 2.00 0.00 0.00 36.73 39.03 2jka h TYR 376 CO 0.01 0.53 0.18 0.82 -0.00 0.00 0.00 178.16 179.70 2jka h ILE 377 N 0.28 0.78 -0.29 -2.88 1.08 -0.92 0.53 117.51 116.10 2jka h ILE 377 Ca 0.09 -0.12 0.07 0.00 -0.39 0.00 0.00 64.86 64.50 2jka h ILE 377 Cb 0.30 0.41 -0.07 0.00 -3.07 0.00 0.00 36.82 34.39 2jka h ILE 377 CO 0.00 0.06 -0.16 0.44 -0.69 0.00 0.00 178.15 177.80 2jka h ASP 378 N 0.35 -0.54 -0.25 1.72 3.32 -0.98 0.52 116.42 120.55 2jka h ASP 378 Ca 0.27 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.41 2jka h ASP 378 Cb 0.32 0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 2jka h ASP 378 CO -0.29 -0.20 0.06 0.15 -1.72 0.00 0.00 179.24 177.25 2jka h PHE 379 N -0.13 0.42 -0.18 4.55 3.57 -1.04 0.62 116.94 124.75 2jka h PHE 379 Ca 0.15 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.66 2jka h PHE 379 Cb 0.36 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.92 2jka h PHE 379 CO -0.35 0.49 -0.22 0.00 -2.23 0.00 0.00 178.31 175.99 2jka h ALA 380 N 0.89 -0.15 -0.51 2.41 0.00 -0.61 -1.80 119.26 119.49 2jka h ALA 380 Ca 0.08 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2jka h ALA 380 Cb 0.28 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2jka h ALA 380 CO 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 179.25 178.51 2jka h ALA 381 N 0.76 0.70 -0.94 0.00 0.00 -0.82 -1.62 119.26 117.34 2jka h ALA 381 Ca 0.12 -0.33 0.21 0.00 0.00 0.00 0.00 54.91 54.91 2jka h ALA 381 Cb 0.43 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 2jka h ALA 381 CO -0.33 0.58 0.61 0.00 0.00 0.00 0.00 179.25 180.11 2jka h ALA 382 N 0.91 2.11 -0.22 0.00 0.00 -0.49 -3.15 119.26 118.43 2jka h ALA 382 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jka h ALA 382 Cb 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2jka h ALA 382 CO 0.04 -0.43 0.00 0.72 0.00 0.00 0.00 179.25 179.58 2jka n HIS 383 N -4.57 0.62 -0.88 0.00 -0.00 -0.71 -4.98 115.22 104.71 2jka n HIS 383 Ca 0.21 -0.79 0.00 0.00 -0.00 0.00 0.00 57.72 57.13 2jka n HIS 383 Cb 0.70 -0.21 0.00 0.00 -0.00 0.00 0.00 29.99 30.48 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 -0.46 0.53 3.79 -1.41 0.00 -0.93 -4.84 105.19 101.88 2jka n GLY 384 Ca 0.17 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 2.86 -0.07 1.61 0.08 -0.65 -5.01 117.98 114.79 2jka s PHE 385 Ca 0.00 1.51 0.14 0.00 0.12 0.00 0.00 56.93 58.70 2jka s PHE 385 Cb 0.00 -3.03 -0.22 0.00 -0.57 0.00 0.00 43.02 39.20 2jka s PHE 385 CO 0.00 -1.39 0.63 -0.25 -0.10 0.00 0.00 175.22 174.11 2jka n ASP 386 N -2.59 0.79 -3.67 1.36 8.00 0.02 -4.67 116.55 115.79 2jka n ASP 386 Ca 0.09 0.37 -0.11 0.00 0.71 0.00 0.00 54.79 55.85 2jka n ASP 386 Cb 0.53 0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.65 2jka n ASP 386 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jka s ALA 387 N -2.65 -0.88 -0.12 2.24 0.00 -1.07 -1.70 121.76 117.58 2jka s ALA 387 Ca -0.05 0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.95 2jka s ALA 387 Cb 0.08 0.53 0.02 0.00 0.00 0.00 0.00 23.12 23.75 2jka s ALA 387 CO 0.82 -0.55 -0.13 0.08 0.00 0.00 0.00 175.76 175.98 2jka s VAL 388 N -3.27 1.41 0.14 0.00 1.01 -0.74 -2.29 120.40 116.67 2jka s VAL 388 Ca -0.00 -0.55 -0.23 0.00 0.00 0.00 0.00 61.98 61.20 2jka s VAL 388 Cb 0.01 -1.33 -0.08 0.00 0.00 0.00 0.00 36.38 34.99 2jka s VAL 388 CO -0.08 0.43 0.70 -0.22 0.00 0.00 0.00 175.10 175.93 2jka s LEU 389 N 1.34 4.55 -0.10 3.92 2.96 -0.04 -1.01 118.68 130.30 2jka s LEU 389 Ca 0.00 1.49 0.02 0.00 -0.22 0.00 0.00 54.13 55.42 2jka s LEU 389 Cb -0.14 -3.17 0.02 0.00 0.50 0.00 0.00 46.19 43.40 2jka s LEU 389 CO -0.07 0.22 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.35 2jka s VAL 390 N -1.17 1.40 -0.03 1.68 1.01 -1.25 -0.46 120.40 121.58 2jka s VAL 390 Ca 0.34 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 2jka s VAL 390 Cb -0.21 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 2jka s VAL 390 CO 0.23 0.42 0.03 -1.61 0.00 0.00 0.00 175.10 174.17 2jka s GLU 391 N 1.01 2.94 0.00 2.72 2.02 -0.99 -4.33 118.70 122.06 2jka s GLU 391 Ca -0.07 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.42 2jka s GLU 391 Cb -0.15 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.31 2jka s GLU 391 CO -0.01 0.66 0.00 0.41 0.02 0.00 0.00 175.26 176.33 2jka n GLY 392 N 1.57 0.80 0.19 -1.39 0.00 -1.26 -4.48 105.19 100.62 2jka n GLY 392 Ca -0.15 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.17 1.61 5.08 -1.84 -3.43 115.95 114.19 2jka h TRP 393 Ca 0.00 0.00 -0.64 0.00 1.08 0.00 0.00 58.89 59.33 2jka h TRP 393 Cb 0.00 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 26.01 2jka h TRP 393 CO 0.00 0.06 -0.73 0.54 -1.28 0.00 0.00 178.44 177.03 2jka s ASN 394 N -6.02 4.29 0.33 0.11 4.22 -1.26 -1.43 114.94 115.18 2jka s ASN 394 Ca 0.05 -0.52 -0.28 0.00 -2.14 0.00 0.00 52.86 49.96 2jka s ASN 394 Cb 0.06 -0.75 -0.13 0.00 1.28 0.00 0.00 41.25 41.72 2jka s ASN 394 CO 0.71 0.12 1.24 -0.62 -2.04 0.00 0.00 177.10 176.51 2jka n GLU 395 N 0.23 1.97 0.00 3.55 1.02 0.16 -4.08 120.64 123.49 2jka n GLU 395 Ca -0.12 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 2jka n GLU 395 Cb 0.54 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.73 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 0.92 1.57 0.25 0.62 0.00 -1.26 -4.55 105.19 102.74 2jka n GLY 396 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.98 1.61 4.06 -1.85 -1.42 115.95 117.37 2jka h TRP 397 Ca 0.00 0.00 0.27 0.00 2.06 0.00 0.00 58.89 61.22 2jka h TRP 397 Cb 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.11 2jka h TRP 397 CO 0.00 0.14 0.68 0.93 -3.56 0.00 0.00 178.44 176.64 2jka h GLU 398 N 0.00 0.14 -0.17 0.49 3.07 -1.90 -2.48 114.58 113.73 2jka h GLU 398 Ca -0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2jka h GLU 398 Cb 0.38 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 2jka h GLU 398 CO 0.02 0.09 0.00 -0.25 -1.40 0.00 0.00 179.01 177.47 2jka n ASP 399 N -4.36 3.23 0.28 1.42 8.00 -0.53 -4.80 116.55 119.78 2jka n ASP 399 Ca 0.21 -2.91 0.16 0.00 0.71 0.00 0.00 54.79 52.97 2jka n ASP 399 Cb 0.96 -0.46 0.74 0.00 -0.02 0.00 0.00 41.12 42.34 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 1.16 0.00 -3.53 1.24 5.08 -1.52 -3.42 115.95 114.96 2jka h TRP 400 Ca 0.00 0.00 -0.67 0.00 1.08 0.00 0.00 58.89 59.30 2jka h TRP 400 Cb 1.20 0.00 -0.31 0.00 -3.00 0.00 0.00 29.16 27.05 2jka h TRP 400 CO 0.29 0.05 -0.73 0.12 -1.28 0.00 0.00 178.44 176.90 2jka s PHE 401 N -3.81 3.09 -0.40 0.12 5.36 -1.26 -4.73 117.98 116.34 2jka s PHE 401 Ca -0.00 -1.48 0.00 0.00 -0.96 0.00 0.00 56.93 54.49 2jka s PHE 401 Cb 0.10 -2.09 0.00 0.00 -0.34 0.00 0.00 43.02 40.69 2jka s PHE 401 CO 0.54 -0.71 0.00 0.41 -1.46 0.00 0.00 175.22 174.00 2jka n GLY 402 N 4.70 0.61 0.13 13.12 0.00 -1.26 -4.89 105.19 117.59 2jka n GLY 402 Ca -0.16 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.06 0.93 -3.68 1.61 5.03 -1.26 -4.97 115.26 112.86 2jka n ASN 403 Ca -0.04 -0.73 -0.21 0.00 0.87 0.00 0.00 54.58 54.48 2jka n ASN 403 Cb 0.26 0.39 0.04 0.00 -1.02 0.00 0.00 39.78 39.45 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 -1.09 -1.35 -4.69 6.41 2.88 -1.26 -4.92 113.62 109.59 2jka n SER 404 Ca 0.07 -0.80 -0.38 0.00 -1.33 0.00 0.00 58.87 56.44 2jka n SER 404 Cb 0.35 -4.17 -0.07 0.00 -0.75 0.00 0.00 64.21 59.57 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 -5.93 4.24 -0.03 -1.46 2.20 -1.26 -5.00 119.74 112.50 2jka s LYS 405 Ca 0.02 0.27 -0.07 0.00 -0.36 0.00 0.00 55.97 55.82 2jka s LYS 405 Cb -0.01 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 2jka s LYS 405 CO 0.80 0.06 0.41 0.22 -0.36 0.00 0.00 175.35 176.48 2jka h ASP 406 N 7.07 -0.23 -0.77 1.43 3.58 -1.97 -3.35 116.42 122.18 2jka h ASP 406 Ca -0.38 0.01 -0.73 0.00 0.42 0.00 0.00 57.03 56.35 2jka h ASP 406 Cb 1.17 0.06 -0.09 0.00 1.72 0.00 0.00 39.33 42.18 2jka h ASP 406 CO 0.74 0.07 2.68 0.00 -2.88 0.00 0.00 179.24 179.85 2jka n TYR 407 N -4.01 2.93 0.02 0.28 9.36 -1.26 -4.65 117.16 119.83 2jka n TYR 407 Ca -0.03 -2.89 -0.05 0.00 3.32 0.00 0.00 57.90 58.24 2jka n TYR 407 Cb 0.11 -2.16 -0.11 0.00 -0.63 0.00 0.00 39.34 36.54 2jka n TYR 407 CO 0.00 0.00 0.00 -0.24 0.22 0.00 0.00 176.86 176.84 2jka h VAL 408 N 3.45 0.90 -3.63 2.97 3.04 -1.91 -3.44 116.25 117.63 2jka h VAL 408 Ca 0.58 -2.60 -0.09 0.00 -1.01 0.00 0.00 66.70 63.58 2jka h VAL 408 Cb 0.51 2.39 -0.15 0.00 -2.01 0.00 0.00 31.29 32.03 2jka h VAL 408 CO 1.69 0.51 -0.31 -0.36 -1.01 0.00 0.00 177.57 178.10 2jka s PHE 409 N -2.73 0.04 -0.58 3.17 0.08 -1.26 -4.57 117.98 112.13 2jka s PHE 409 Ca -0.03 -0.38 0.07 0.00 0.12 0.00 0.00 56.93 56.71 2jka s PHE 409 Cb 0.08 0.02 -0.01 0.00 -0.57 0.00 0.00 43.02 42.54 2jka s PHE 409 CO 0.81 -0.54 0.48 -0.40 -0.10 0.00 0.00 175.22 175.47 2jka n ASP 410 N 0.12 0.91 0.00 1.36 5.68 -1.26 -4.95 116.55 118.41 2jka n ASP 410 Ca -0.16 -0.95 0.00 0.00 -0.50 0.00 0.00 54.79 53.17 2jka n ASP 410 Cb 0.62 0.54 0.00 0.00 -1.14 0.00 0.00 41.12 41.13 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 -0.43 0.00 0.00 2.11 3.72 -1.26 -4.71 117.46 116.89 2jka n PHE 411 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2jka n PHE 411 Cb 0.14 -1.42 0.00 0.00 -0.94 0.00 0.00 39.48 37.25 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 -2.25 0.00 -3.32 -4.37 0.24 -1.26 -4.81 118.33 102.56 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 0.33 -0.03 -0.09 0.00 -1.47 0.00 0.00 33.84 32.59 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 -0.69 5.08 0.59 3.34 2.01 -1.26 -5.05 115.64 119.66 2jka s THR 413 Ca 0.00 0.02 -0.15 0.00 0.31 0.00 0.00 61.69 61.87 2jka s THR 413 Cb 0.00 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2jka s THR 413 CO 0.00 -0.25 1.04 -2.16 -0.69 0.00 0.00 174.62 172.56 2jka s PRO 414 N 2.21 3.40 0.87 4.92 0.04 -1.26 -0.66 135.00 144.51 2jka s PRO 414 Ca 0.14 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.18 2jka s PRO 414 Cb -0.16 -2.05 0.11 0.00 0.04 0.00 0.00 34.50 32.44 2jka s PRO 414 CO 0.13 -0.73 1.09 0.71 0.04 0.00 0.00 177.00 178.24 2jka s TYR 415 N -2.59 2.33 0.47 0.56 2.02 -0.51 -4.56 117.35 115.07 2jka s TYR 415 Ca 0.62 1.38 0.32 0.00 -0.37 0.00 0.00 57.07 59.01 2jka s TYR 415 Cb -0.14 -3.13 1.71 0.00 -0.40 0.00 0.00 41.96 39.99 2jka s TYR 415 CO 0.39 -2.28 2.16 -1.35 -1.57 0.00 0.00 175.55 172.89 2jka h PRO 416 N -1.47 0.00 -0.62 -1.71 0.11 -1.92 -2.39 132.00 123.99 2jka h PRO 416 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jka h PRO 416 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2jka h PRO 416 CO 0.53 0.06 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 2jka n ASP 417 N -3.52 4.28 -3.99 -2.05 5.75 -1.26 -4.77 116.55 110.99 2jka n ASP 417 Ca -0.02 -2.29 -0.31 0.00 -0.01 0.00 0.00 54.79 52.16 2jka n ASP 417 Cb 0.18 -0.51 -0.15 0.00 -1.03 0.00 0.00 41.12 39.61 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 -1.55 3.11 -0.76 2.11 5.36 -0.90 -0.84 117.98 124.51 2jka s PHE 418 Ca 0.47 -2.40 -0.18 0.00 -0.96 0.00 0.00 56.93 53.85 2jka s PHE 418 Cb 0.28 -2.21 0.13 0.00 -0.34 0.00 0.00 43.02 40.89 2jka s PHE 418 CO 0.25 -0.88 0.89 0.34 -1.46 0.00 0.00 175.22 174.36 2jka s ASP 419 N 1.14 6.45 0.13 6.13 -1.08 -1.26 -4.56 116.67 123.62 2jka s ASP 419 Ca 0.01 -1.86 -0.29 0.00 -0.52 0.00 0.00 52.55 49.89 2jka s ASP 419 Cb -0.19 -2.33 -0.07 0.00 -1.46 0.00 0.00 42.92 38.87 2jka s ASP 419 CO -0.08 -1.02 1.59 0.58 0.52 0.00 0.00 175.17 176.75 2jka h VAL 420 N 5.67 0.15 -0.63 1.11 2.07 -1.97 -0.25 116.25 122.41 2jka h VAL 420 Ca -0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 2jka h VAL 420 Cb 1.05 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2jka h VAL 420 CO 1.04 0.00 0.28 0.11 0.02 0.00 0.00 177.57 179.02 2jka h LYS 421 N -0.53 0.92 -0.41 1.57 1.57 -1.96 -0.87 116.57 116.87 2jka h LYS 421 Ca 0.06 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.58 2jka h LYS 421 Cb 0.64 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 2jka h LYS 421 CO -0.36 0.76 -0.18 1.49 -0.57 0.00 0.00 179.45 180.59 2jka h GLU 422 N 0.87 0.79 -0.48 3.15 4.57 -1.94 0.52 114.58 122.06 2jka h GLU 422 Ca 0.21 -0.30 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 2jka h GLU 422 Cb 0.16 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 2jka h GLU 422 CO -0.02 0.91 0.20 0.82 -1.18 0.00 0.00 179.01 179.74 2jka h ILE 423 N 0.69 1.20 -0.28 2.32 2.04 -0.84 -0.82 117.51 121.83 2jka h ILE 423 Ca 0.10 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.38 2jka h ILE 423 Cb 0.69 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 2jka h ILE 423 CO 0.05 0.23 0.09 -0.74 0.00 0.00 0.00 178.15 177.78 2jka h HIS 424 N 0.63 0.16 -0.26 1.37 2.76 -0.85 0.17 115.15 119.12 2jka h HIS 424 Ca 0.16 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.36 2jka h HIS 424 Cb 0.17 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 2jka h HIS 424 CO 0.00 0.07 0.14 0.00 -1.30 0.00 0.00 177.93 176.84 2jka h ARG 425 N 0.21 0.28 -0.34 5.26 3.08 -0.71 -0.90 114.38 121.25 2jka h ARG 425 Ca 0.12 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 2jka h ARG 425 Cb 0.10 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2jka h ARG 425 CO -0.13 0.18 0.14 -0.92 -1.07 0.00 0.00 179.97 178.17 2jka h TYR 426 N 0.29 0.53 -0.14 3.04 3.20 -0.81 -1.38 116.97 121.70 2jka h TYR 426 Ca 0.10 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 2jka h TYR 426 Cb 0.02 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 2jka h TYR 426 CO -0.09 0.49 0.09 0.00 -1.64 0.00 0.00 178.16 177.01 2jka h ALA 427 N 0.98 0.18 -0.66 1.82 0.00 -0.56 -2.71 119.26 118.31 2jka h ALA 427 Ca 0.11 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2jka h ALA 427 Cb 0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2jka h ALA 427 CO -0.01 -0.31 0.40 0.00 0.00 0.00 0.00 179.25 179.33 2jka h ALA 428 N 1.02 0.86 -0.43 0.00 0.00 -0.99 1.00 119.26 120.71 2jka h ALA 428 Ca 0.05 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.05 2jka h ALA 428 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2jka h ALA 428 CO -0.01 0.14 0.30 0.00 0.00 0.00 0.00 179.25 179.68 2jka h ARG 429 N 0.77 0.15 -0.40 0.00 3.08 -1.13 -1.22 114.38 115.63 2jka h ARG 429 Ca 0.27 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.31 2jka h ARG 429 Cb 0.06 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2jka h ARG 429 CO -0.12 0.10 0.00 1.63 -1.07 0.00 0.00 179.97 180.51 2jka n LYS 430 N -4.45 2.27 -1.92 0.04 4.76 -0.52 -4.94 118.16 113.41 2jka n LYS 430 Ca 0.07 -1.94 -0.12 0.00 -2.87 0.00 0.00 58.31 53.45 2jka n LYS 430 Cb 0.40 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 32.10 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 1.39 0.38 3.56 0.72 0.00 -0.46 -4.80 105.19 105.98 2jka n GLY 431 Ca 0.19 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.55 3.48 -0.10 -0.61 -1.09 0.23 -4.93 121.20 115.63 2jka s ILE 432 Ca 0.00 -0.71 -0.04 0.00 -2.23 0.00 0.00 60.65 57.67 2jka s ILE 432 Cb 0.00 -2.45 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 2jka s ILE 432 CO 0.00 0.49 0.05 -0.54 -1.23 0.00 0.00 174.94 173.71 2jka s LYS 433 N -1.10 3.18 0.08 2.79 -0.14 -0.69 -3.59 119.74 120.28 2jka s LYS 433 Ca 0.14 -0.31 -0.26 0.00 -1.36 0.00 0.00 55.97 54.19 2jka s LYS 433 Cb -0.11 -2.95 -0.06 0.00 -1.68 0.00 0.00 37.83 33.03 2jka s LYS 433 CO 0.04 0.71 0.79 -1.64 -0.76 0.00 0.00 175.35 174.49 2jka s MET 434 N -0.89 4.53 -0.16 1.68 -1.94 -1.26 -1.79 119.30 119.48 2jka s MET 434 Ca 0.13 1.12 -0.16 0.00 -1.71 0.00 0.00 55.69 55.08 2jka s MET 434 Cb -0.12 -3.34 -0.04 0.00 2.01 0.00 0.00 34.83 33.34 2jka s MET 434 CO 0.03 0.34 0.38 1.41 -0.01 0.00 0.00 175.02 177.17 2jka s MET 435 N -0.29 4.26 0.56 2.03 1.75 -0.18 -4.37 119.30 123.06 2jka s MET 435 Ca 0.39 0.23 -0.18 0.00 -1.25 0.00 0.00 55.69 54.88 2jka s MET 435 Cb -0.21 -3.47 -0.05 0.00 2.84 0.00 0.00 34.83 33.94 2jka s MET 435 CO 0.24 0.12 1.08 1.41 -0.65 0.00 0.00 175.02 177.23 2jka s MET 436 N 0.80 3.37 -0.20 4.11 0.00 0.79 -3.74 119.30 124.43 2jka s MET 436 Ca 0.20 1.40 -0.00 0.00 0.00 0.00 0.00 55.69 57.29 2jka s MET 436 Cb -0.14 -2.03 0.02 0.00 0.00 0.00 0.00 34.83 32.68 2jka s MET 436 CO 0.07 -0.79 -0.14 -1.58 0.00 0.00 0.00 175.02 172.57 2jka s HIS 437 N -2.10 2.88 -0.64 4.11 2.46 -1.26 -0.92 115.29 119.83 2jka s HIS 437 Ca 0.68 -1.53 0.06 0.00 0.47 0.00 0.00 55.06 54.74 2jka s HIS 437 Cb -0.19 -1.98 0.26 0.00 -0.13 0.00 0.00 32.58 30.54 2jka s HIS 437 CO 0.30 -0.75 0.77 0.72 -2.47 0.00 0.00 174.74 173.31 2jka n HIS 438 N 4.65 3.70 -1.99 3.88 8.25 0.59 -4.97 115.22 129.33 2jka n HIS 438 Ca -0.19 -4.14 -0.42 0.00 -0.26 0.00 0.00 57.72 52.70 2jka n HIS 438 Cb 0.49 -0.55 -0.03 0.00 1.12 0.00 0.00 29.99 31.02 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 -2.58 4.24 0.00 -0.41 2.56 -1.26 -1.70 118.70 119.55 2jka s GLU 439 Ca 0.41 2.29 0.22 0.00 0.00 0.00 0.00 54.97 57.89 2jka s GLU 439 Cb 0.16 -3.25 -0.05 0.00 2.00 0.00 0.00 34.13 32.99 2jka s GLU 439 CO -0.02 -0.59 1.03 0.25 -0.56 0.00 0.00 175.26 175.37 2jka n THR 440 N 4.09 0.00 -3.24 -1.70 -2.24 0.11 -4.84 114.28 106.47 2jka n THR 440 Ca 0.14 -0.04 -0.23 0.00 -2.27 0.00 0.00 64.05 61.65 2jka n THR 440 Cb 0.40 0.89 0.01 0.00 -2.10 0.00 0.00 70.33 69.53 2jka n THR 440 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2jka n SER 441 N -1.29 -4.39 -0.97 3.42 7.64 -1.26 -1.77 113.62 115.01 2jka n SER 441 Ca 0.05 -0.34 -0.13 0.00 1.01 0.00 0.00 58.87 59.46 2jka n SER 441 Cb 0.35 -3.60 -0.05 0.00 -1.01 0.00 0.00 64.21 59.89 2jka n SER 441 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jka n ALA 442 N -3.49 -0.19 -3.16 -0.43 0.00 -1.19 -4.61 120.51 107.43 2jka n ALA 442 Ca -0.05 0.21 -0.45 0.00 0.00 0.00 0.00 53.44 53.15 2jka n ALA 442 Cb 0.57 -1.60 -0.04 0.00 0.00 0.00 0.00 19.45 18.38 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 -2.64 6.42 -0.07 0.00 0.15 -0.73 -0.88 113.70 115.97 2jka s SER 443 Ca 0.00 -1.93 -0.13 0.00 0.70 0.00 0.00 55.95 54.58 2jka s SER 443 Cb 0.00 -2.28 -0.30 0.00 -1.71 0.00 0.00 66.02 61.73 2jka s SER 443 CO 0.00 -0.93 0.64 0.58 1.20 0.00 0.00 173.24 174.73 2jka h VAL 444 N 5.59 0.99 -0.91 4.45 2.07 -0.81 -2.34 116.25 125.29 2jka h VAL 444 Ca -0.10 -2.48 0.01 0.00 0.82 0.00 0.00 66.70 64.96 2jka h VAL 444 Cb 1.06 2.77 -0.05 0.00 -1.52 0.00 0.00 31.29 33.55 2jka h VAL 444 CO 1.00 0.80 0.60 -0.09 0.02 0.00 0.00 177.57 179.90 2jka h ARG 445 N -0.05 1.18 -0.56 1.57 2.43 -1.91 -0.42 114.38 116.62 2jka h ARG 445 Ca -0.32 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 58.70 2jka h ARG 445 Cb 1.97 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 31.23 2jka h ARG 445 CO 0.14 0.78 0.05 -0.97 -1.51 0.00 0.00 179.97 178.46 2jka h ASN 446 N 1.22 0.88 -0.21 -3.80 -1.24 -1.82 0.11 115.58 110.72 2jka h ASN 446 Ca 0.34 -0.21 -0.07 0.00 0.71 0.00 0.00 56.30 57.07 2jka h ASN 446 Cb -0.11 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 38.70 2jka h ASN 446 CO -0.08 0.91 -0.13 0.22 -1.29 0.00 0.00 177.43 177.06 2jka h TYR 447 N 0.87 0.54 -0.81 0.67 3.20 -0.85 -2.89 116.97 117.69 2jka h TYR 447 Ca 0.17 -0.14 0.06 0.00 3.14 0.00 0.00 58.73 61.96 2jka h TYR 447 Cb 0.44 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.53 2jka h TYR 447 CO 0.03 0.77 0.49 0.93 -1.64 0.00 0.00 178.16 178.74 2jka h GLU 448 N 0.15 0.88 -0.09 1.82 5.08 -0.55 -0.79 114.58 121.09 2jka h GLU 448 Ca 0.04 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2jka h GLU 448 Cb 0.64 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2jka h GLU 448 CO 0.04 0.58 -0.07 0.00 -1.00 0.00 0.00 179.01 178.55 2jka h ARG 449 N 0.90 0.13 -0.18 2.33 3.08 -0.70 -2.33 114.38 117.60 2jka h ARG 449 Ca 0.36 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.39 2jka h ARG 449 Cb 0.17 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2jka h ARG 449 CO -0.17 0.21 0.00 0.72 -1.07 0.00 0.00 179.97 179.66 2jka n HIS 450 N -4.38 0.22 -0.01 3.04 8.25 -0.80 -4.70 115.22 116.85 2jka n HIS 450 Ca -0.01 -0.11 -0.13 0.00 -0.26 0.00 0.00 57.72 57.21 2jka n HIS 450 Cb 0.19 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.22 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 3.73 0.05 -0.28 -0.41 4.05 -0.59 0.53 114.93 122.02 2jka h MET 451 Ca 0.00 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 2jka h MET 451 Cb 0.81 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 2jka h MET 451 CO 0.00 0.37 0.14 -0.44 0.23 0.00 0.00 176.91 177.21 2jka h ASP 452 N -0.26 0.35 -0.96 1.39 3.32 -1.84 -0.37 116.42 118.05 2jka h ASP 452 Ca 0.01 -0.10 0.10 0.00 0.02 0.00 0.00 57.03 57.06 2jka h ASP 452 Cb 0.34 -0.09 -0.08 0.00 0.22 0.00 0.00 39.33 39.73 2jka h ASP 452 CO 0.00 0.35 0.59 0.11 -1.72 0.00 0.00 179.24 178.58 2jka h LYS 453 N 0.32 0.95 -0.50 3.56 1.57 -1.84 0.00 116.57 120.64 2jka h LYS 453 Ca 0.10 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 2jka h LYS 453 Cb 0.08 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2jka h LYS 453 CO -0.01 0.63 -0.13 0.00 -0.57 0.00 0.00 179.45 179.36 2jka h ALA 454 N 1.50 0.69 -0.03 3.86 0.00 0.89 -0.91 119.26 125.26 2jka h ALA 454 Ca 0.46 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 2jka h ALA 454 Cb 0.40 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jka h ALA 454 CO -0.24 0.61 -0.88 1.88 0.00 0.00 0.00 179.25 180.62 2jka h TYR 455 N 0.83 0.67 -0.55 0.00 0.05 -0.95 -2.19 116.97 114.84 2jka h TYR 455 Ca 0.13 -0.34 0.02 0.00 0.05 0.00 0.00 58.73 58.59 2jka h TYR 455 Cb 0.69 -0.09 -0.04 0.00 1.01 0.00 0.00 36.73 38.31 2jka h TYR 455 CO 0.05 1.15 0.33 0.37 -1.05 0.00 0.00 178.16 179.01 2jka h GLN 456 N 0.28 0.63 -0.78 4.88 5.75 -0.93 -1.12 115.11 123.82 2jka h GLN 456 Ca -0.07 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.39 2jka h GLN 456 Cb 1.51 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 29.88 2jka h GLN 456 CO 0.16 0.42 0.48 0.35 -2.65 0.00 0.00 178.83 177.59 2jka h PHE 457 N 0.65 1.01 0.50 3.99 3.57 -1.03 0.20 116.94 125.84 2jka h PHE 457 Ca 0.22 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 2jka h PHE 457 Cb 0.02 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.43 2jka h PHE 457 CO -0.06 0.67 -0.24 0.52 -2.23 0.00 0.00 178.31 176.97 2jka h MET 458 N 1.07 -0.65 -0.34 1.11 2.86 -1.06 -1.36 114.93 116.55 2jka h MET 458 Ca 0.28 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 58.00 2jka h MET 458 Cb -0.06 0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 2jka h MET 458 CO -0.05 -0.42 0.12 0.00 1.06 0.00 0.00 176.91 177.62 2jka h ALA 459 N -0.22 0.40 0.00 6.32 0.00 -0.81 0.43 119.26 125.38 2jka h ALA 459 Ca -0.07 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2jka h ALA 459 Cb 0.53 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jka h ALA 459 CO 0.11 -0.27 -0.03 -0.44 0.00 0.00 0.00 179.25 178.62 2jka h ASP 460 N 0.27 0.00 -0.09 0.00 3.32 -0.56 -2.92 116.42 116.44 2jka h ASP 460 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2jka h ASP 460 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2jka h ASP 460 CO -0.15 0.03 0.00 0.59 -1.72 0.00 0.00 179.24 177.99 2jka n ASN 461 N -3.51 2.87 -0.80 6.45 3.02 -0.52 -4.99 115.26 117.78 2jka n ASN 461 Ca -0.02 -3.00 -0.09 0.00 -0.03 0.00 0.00 54.58 51.43 2jka n ASN 461 Cb 0.13 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 2jka n ASN 461 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jka n GLY 462 N -1.05 0.76 3.66 7.41 0.00 -0.22 -4.89 105.19 110.86 2jka n GLY 462 Ca 0.17 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.37 3.36 0.00 1.61 2.02 -0.03 -4.55 117.35 117.39 2jka s TYR 463 Ca 0.00 0.72 0.00 0.00 -0.37 0.00 0.00 57.07 57.42 2jka s TYR 463 Cb 0.00 -2.64 0.00 0.00 -0.40 0.00 0.00 41.96 38.92 2jka s TYR 463 CO 0.00 -0.10 0.75 0.27 -1.57 0.00 0.00 175.55 174.90 2jka n ASN 464 N 4.79 1.46 -4.04 2.29 0.23 -1.26 -4.14 115.26 114.59 2jka n ASN 464 Ca -0.06 -1.53 -0.12 0.00 -0.53 0.00 0.00 54.58 52.34 2jka n ASN 464 Cb 0.50 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.09 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 -0.53 0.71 -0.01 0.53 1.04 -1.26 -1.19 113.70 112.98 2jka s SER 465 Ca 0.00 -0.52 0.02 0.00 0.48 0.00 0.00 55.95 55.93 2jka s SER 465 Cb 0.00 0.05 -0.00 0.00 0.10 0.00 0.00 66.02 66.16 2jka s SER 465 CO 0.00 -0.22 -0.07 0.54 0.98 0.00 0.00 173.24 174.47 2jka s VAL 466 N -1.35 0.62 -0.34 5.02 0.11 -0.11 -0.15 120.40 124.19 2jka s VAL 466 Ca -0.11 -0.31 -0.16 0.00 -2.93 0.00 0.00 61.98 58.47 2jka s VAL 466 Cb -0.10 -0.54 -0.01 0.00 -1.53 0.00 0.00 36.38 34.21 2jka s VAL 466 CO 0.00 0.19 0.40 -0.75 -3.33 0.00 0.00 175.10 171.61 2jka s LYS 467 N -0.02 3.57 0.39 1.54 2.20 -0.10 -0.15 119.74 127.17 2jka s LYS 467 Ca 0.01 -0.36 0.08 0.00 -0.36 0.00 0.00 55.97 55.33 2jka s LYS 467 Cb -0.05 -3.81 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 2jka s LYS 467 CO -0.00 -0.56 0.53 -1.54 -0.36 0.00 0.00 175.35 173.42 2jka s SER 468 N 1.74 5.75 -0.00 1.43 1.04 -0.22 -0.30 113.70 123.13 2jka s SER 468 Ca 0.13 -0.35 -0.19 0.00 0.48 0.00 0.00 55.95 56.02 2jka s SER 468 Cb -0.16 -0.85 0.04 0.00 0.10 0.00 0.00 66.02 65.15 2jka s SER 468 CO 0.12 -0.65 0.41 -0.83 0.98 0.00 0.00 173.24 173.27 2jka s GLY 469 N -4.28 -0.27 -0.41 7.32 0.00 -0.69 -1.13 107.32 107.85 2jka s GLY 469 Ca 0.51 0.51 0.11 0.00 0.00 0.00 0.00 44.72 45.86 2jka s GLY 469 CO 0.32 0.26 0.81 -1.72 0.00 0.00 0.00 173.10 172.78 2jka n TYR 470 N 0.97 1.25 -2.94 1.90 4.01 -1.21 0.04 117.16 121.19 2jka n TYR 470 Ca -0.20 -3.73 -0.41 0.00 -0.16 0.00 0.00 57.90 53.40 2jka n TYR 470 Cb 0.57 -0.42 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 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 -3.06 4.90 0.00 -0.72 1.01 -1.26 -4.37 120.40 116.89 2jka s VAL 471 Ca 0.41 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.91 2jka s VAL 471 Cb 0.35 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2jka s VAL 471 CO -0.08 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.64 2jka n GLY 472 N 3.61 2.16 3.77 4.51 0.00 -1.26 -3.19 105.19 114.79 2jka n GLY 472 Ca 0.04 -2.14 -0.39 0.00 0.00 0.00 0.00 46.02 43.53 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 7.14 0.37 1.61 0.02 -1.26 -4.74 114.94 118.09 2jka s ASN 473 Ca 0.00 2.16 -0.28 0.00 -1.02 0.00 0.00 52.86 53.72 2jka s ASN 473 Cb 0.00 -2.61 -0.11 0.00 0.02 0.00 0.00 41.25 38.55 2jka s ASN 473 CO 0.00 -0.22 1.42 -0.38 0.02 0.00 0.00 177.10 177.93 2jka n ILE 474 N 0.80 2.06 -4.17 0.60 2.08 -1.26 -4.78 119.36 114.69 2jka n ILE 474 Ca 0.01 -0.50 -0.33 0.00 0.56 0.00 0.00 62.75 62.48 2jka n ILE 474 Cb 0.47 -1.83 -0.15 0.00 -0.75 0.00 0.00 39.64 37.37 2jka n ILE 474 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2jka s ILE 475 N -1.12 2.48 0.20 1.39 1.01 -0.05 -3.54 121.20 121.57 2jka s ILE 475 Ca 0.54 -0.81 -0.30 0.00 0.00 0.00 0.00 60.65 60.08 2jka s ILE 475 Cb -0.50 -2.07 -0.09 0.00 0.01 0.00 0.00 42.46 39.81 2jka s ILE 475 CO 0.63 0.51 1.43 -2.16 0.00 0.00 0.00 174.94 175.34 2jka s PRO 476 N 1.23 4.29 0.14 2.79 0.04 -1.26 -0.09 135.00 142.14 2jka s PRO 476 Ca 0.03 2.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.99 2jka s PRO 476 Cb -0.14 -3.16 -0.07 0.00 0.04 0.00 0.00 34.50 31.18 2jka s PRO 476 CO -0.08 -0.42 1.06 1.03 0.04 0.00 0.00 177.00 178.63 2jka s ARG 477 N 0.16 4.61 0.00 4.56 0.52 -1.23 -2.70 118.95 124.87 2jka s ARG 477 Ca 0.61 1.62 0.00 0.00 -0.52 0.00 0.00 55.73 57.45 2jka s ARG 477 Cb -0.40 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 31.74 2jka s ARG 477 CO 0.38 0.08 0.00 0.41 0.02 0.00 0.00 175.30 176.19 2jka n GLY 478 N 2.27 0.64 3.85 -3.53 0.00 -1.26 -5.04 105.19 102.13 2jka n GLY 478 Ca 0.03 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 3.95 0.24 1.61 0.41 -1.10 -3.68 118.70 120.13 2jka s GLU 479 Ca 0.00 0.87 0.06 0.00 -0.41 0.00 0.00 54.97 55.49 2jka s GLU 479 Cb 0.00 -2.20 -0.04 0.00 -1.78 0.00 0.00 34.13 30.11 2jka s GLU 479 CO 0.00 -0.18 0.22 -1.01 -0.49 0.00 0.00 175.26 173.80 2jka s HIS 480 N -2.50 3.19 0.56 1.61 3.76 -1.26 -4.34 115.29 116.30 2jka s HIS 480 Ca 0.58 -0.08 0.24 0.00 -0.15 0.00 0.00 55.06 55.64 2jka s HIS 480 Cb -0.10 -1.45 1.52 0.00 1.11 0.00 0.00 32.58 33.66 2jka s HIS 480 CO 0.29 0.51 2.15 0.45 -0.85 0.00 0.00 174.74 177.29 2jka h HIS 481 N 1.57 0.00 -0.17 1.40 3.86 -1.73 -3.07 115.15 117.00 2jka h HIS 481 Ca -0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 2jka h HIS 481 Cb 1.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.70 2jka h HIS 481 CO 0.54 0.00 0.00 0.66 0.86 0.00 0.00 177.93 179.99 2jka n TYR 482 N -4.17 0.41 -1.58 2.45 4.01 -1.10 -4.49 117.16 112.68 2jka n TYR 482 Ca -0.01 -0.71 -0.29 0.00 -0.16 0.00 0.00 57.90 56.73 2jka n TYR 482 Cb 0.20 -0.14 0.15 0.00 -0.31 0.00 0.00 39.34 39.23 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 -1.66 1.60 0.33 2.72 0.00 -1.16 -2.06 107.32 107.09 2jka s GLY 483 Ca 0.25 -0.66 0.06 0.00 0.00 0.00 0.00 44.72 44.37 2jka s GLY 483 CO 0.08 -0.06 1.86 -1.61 0.00 0.00 0.00 173.10 173.37 2jka h GLN 484 N -1.56 0.79 0.08 2.90 4.15 -1.81 -0.99 115.11 118.67 2jka h GLN 484 Ca -0.49 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 58.88 2jka h GLN 484 Cb 1.32 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.83 2jka h GLN 484 CO 0.57 0.52 -0.04 2.35 -1.93 0.00 0.00 178.83 180.30 2jka h TRP 485 N 0.81 -0.10 -0.11 3.99 2.91 -1.91 -1.68 115.95 119.86 2jka h TRP 485 Ca 0.46 -0.00 -0.13 0.00 1.13 0.00 0.00 58.89 60.35 2jka h TRP 485 Cb 0.62 0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.29 2jka h TRP 485 CO -0.00 -0.00 -0.52 0.52 -1.03 0.00 0.00 178.44 177.40 2jka h MET 486 N -0.17 0.30 -0.97 2.65 2.86 -1.73 -2.50 114.93 115.37 2jka h MET 486 Ca -0.01 -0.18 0.04 0.00 -2.06 0.00 0.00 59.70 57.49 2jka h MET 486 Cb 0.14 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.76 2jka h MET 486 CO 0.02 0.75 0.63 -0.91 1.06 0.00 0.00 176.91 178.46 2jka h ASN 487 N 0.23 1.05 -0.08 1.22 2.35 -1.00 0.85 115.58 120.21 2jka h ASN 487 Ca 0.01 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jka h ASN 487 Cb 1.00 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 2jka h ASN 487 CO 0.08 0.71 0.04 -1.13 -1.65 0.00 0.00 177.43 175.49 2jka h ASN 488 N 1.22 0.06 0.05 5.81 -0.73 -1.12 -2.43 115.58 118.44 2jka h ASN 488 Ca 0.39 0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.59 2jka h ASN 488 Cb 0.02 -0.01 -0.04 0.00 0.27 0.00 0.00 38.32 38.56 2jka h ASN 488 CO -0.13 0.05 -0.29 -0.74 -0.37 0.00 0.00 177.43 175.95 2jka h HIS 489 N 0.09 -0.80 -0.84 0.67 2.76 -0.68 0.11 115.15 116.46 2jka h HIS 489 Ca 0.03 0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.34 2jka h HIS 489 Cb 0.00 0.35 -0.08 0.00 1.55 0.00 0.00 27.41 29.22 2jka h HIS 489 CO -0.08 -0.39 0.46 1.88 -1.30 0.00 0.00 177.93 178.50 2jka h TYR 490 N -0.47 0.83 -0.02 5.26 0.05 -0.82 -0.00 116.97 121.79 2jka h TYR 490 Ca 0.05 0.03 -0.19 0.00 0.05 0.00 0.00 58.73 58.67 2jka h TYR 490 Cb 0.53 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 2jka h TYR 490 CO -0.30 0.28 -0.83 1.25 -1.05 0.00 0.00 178.16 177.52 2jka h LEU 491 N 0.73 0.37 -0.90 3.88 5.85 -1.08 -2.65 115.31 121.51 2jka h LEU 491 Ca 0.43 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.91 2jka h LEU 491 Cb 0.49 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 2jka h LEU 491 CO -0.30 1.04 0.58 0.22 -0.34 0.00 0.00 178.44 179.65 2jka h TYR 492 N 0.18 1.09 -0.64 1.25 3.20 0.10 0.15 116.97 122.29 2jka h TYR 492 Ca -0.04 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 2jka h TYR 492 Cb 1.43 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 39.31 2jka h TYR 492 CO 0.04 0.62 0.16 0.00 -1.64 0.00 0.00 178.16 177.34 2jka h ALA 493 N 1.37 1.08 -0.07 1.82 0.00 -0.86 -0.45 119.26 122.14 2jka h ALA 493 Ca 0.36 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2jka h ALA 493 Cb 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2jka h ALA 493 CO -0.12 0.61 -0.14 0.28 0.00 0.00 0.00 179.25 179.88 2jka h VAL 494 N 0.96 1.41 -0.64 0.00 2.07 -1.10 -1.49 116.25 117.46 2jka h VAL 494 Ca 0.21 -1.43 -0.04 0.00 0.82 0.00 0.00 66.70 66.25 2jka h VAL 494 Cb 0.33 2.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 2jka h VAL 494 CO -0.00 0.40 0.22 0.11 0.02 0.00 0.00 177.57 178.32 2jka h LYS 495 N -0.25 0.96 -0.25 1.57 1.57 -0.59 -1.16 116.57 118.41 2jka h LYS 495 Ca 0.00 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.49 2jka h LYS 495 Cb 0.72 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 2jka h LYS 495 CO 0.03 0.81 -0.30 -0.22 -0.57 0.00 0.00 179.45 179.20 2jka h LYS 496 N 0.93 0.64 -0.95 3.15 3.64 -1.13 -2.79 116.57 120.07 2jka h LYS 496 Ca 0.21 -0.36 0.16 0.00 -1.27 0.00 0.00 60.65 59.39 2jka h LYS 496 Cb 0.23 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 31.98 2jka h LYS 496 CO -0.01 0.97 0.56 0.00 -2.27 0.00 0.00 179.45 178.70 2jka h ALA 497 N 0.67 1.50 -0.79 5.00 0.00 -1.03 -2.25 119.26 122.35 2jka h ALA 497 Ca 0.03 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2jka h ALA 497 Cb 0.87 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2jka h ALA 497 CO 0.07 0.02 0.34 0.00 0.00 0.00 0.00 179.25 179.68 2jka h ALA 498 N 1.59 1.02 -0.61 0.00 0.00 -0.95 0.93 119.26 121.24 2jka h ALA 498 Ca 0.52 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.39 2jka h ALA 498 Cb 0.70 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2jka h ALA 498 CO -0.34 0.62 0.42 -0.44 0.00 0.00 0.00 179.25 179.51 2jka h ASP 499 N 1.13 0.19 -0.34 0.00 3.32 -1.22 -0.18 116.42 119.31 2jka h ASP 499 Ca 0.27 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2jka h ASP 499 Cb 0.18 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2jka h ASP 499 CO -0.03 0.10 0.00 -1.22 -1.72 0.00 0.00 179.24 176.38 2jka n TYR 500 N -4.43 0.45 -3.64 4.55 4.01 -0.17 -4.93 117.16 112.99 2jka n TYR 500 Ca 0.11 -0.22 -0.22 0.00 -0.16 0.00 0.00 57.90 57.40 2jka n TYR 500 Cb 0.53 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.62 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 0.91 -6.24 -4.86 -0.72 4.76 -0.08 -4.98 118.16 106.95 2jka n LYS 501 Ca 0.17 0.73 -0.33 0.00 -2.87 0.00 0.00 58.31 56.02 2jka n LYS 501 Cb 0.45 -5.60 -0.14 0.00 -1.84 0.00 0.00 35.03 27.90 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 -3.43 3.03 0.13 -0.18 1.01 0.14 -4.90 121.20 117.00 2jka s ILE 502 Ca 0.26 -0.71 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 2jka s ILE 502 Cb -0.12 -2.22 -0.06 0.00 0.01 0.00 0.00 42.46 40.06 2jka s ILE 502 CO 0.77 0.57 0.48 -0.04 0.00 0.00 0.00 174.94 176.72 2jka s MET 503 N -0.32 3.86 -0.07 2.79 -1.94 -0.34 -4.12 119.30 119.17 2jka s MET 503 Ca 0.03 0.32 0.05 0.00 -1.71 0.00 0.00 55.69 54.37 2jka s MET 503 Cb -0.13 -2.92 -0.00 0.00 2.01 0.00 0.00 34.83 33.78 2jka s MET 503 CO 0.03 0.49 -0.22 0.08 -0.01 0.00 0.00 175.02 175.39 2jka s VAL 504 N -1.48 1.84 -0.32 -6.03 1.01 0.35 -0.93 120.40 114.83 2jka s VAL 504 Ca 0.37 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2jka s VAL 504 Cb -0.14 -1.58 0.10 0.00 0.00 0.00 0.00 36.38 34.76 2jka s VAL 504 CO 0.19 0.51 0.05 0.21 0.00 0.00 0.00 175.10 176.07 2jka s ASN 505 N 0.10 4.51 -0.39 3.32 2.47 0.78 -2.02 114.94 123.71 2jka s ASN 505 Ca -0.09 -1.94 -0.12 0.00 0.42 0.00 0.00 52.86 51.13 2jka s ASN 505 Cb -0.15 -1.39 0.04 0.00 -1.45 0.00 0.00 41.25 38.29 2jka s ASN 505 CO 0.05 -0.38 0.24 0.00 -3.72 0.00 0.00 177.10 173.29 2jka s ALA 506 N 1.13 3.32 0.49 1.71 0.00 -0.57 -1.05 121.76 126.80 2jka s ALA 506 Ca 0.09 -1.79 -0.17 0.00 0.00 0.00 0.00 51.96 50.09 2jka s ALA 506 Cb -0.19 -2.67 -0.08 0.00 0.00 0.00 0.00 23.12 20.18 2jka s ALA 506 CO -0.13 -1.45 0.97 -1.01 0.00 0.00 0.00 175.76 174.14 2jka s HIS 507 N 1.56 3.43 0.00 0.00 3.76 -0.29 -3.02 115.29 120.74 2jka s HIS 507 Ca 0.02 1.47 0.00 0.00 -0.15 0.00 0.00 55.06 56.40 2jka s HIS 507 Cb -0.20 -2.78 0.00 0.00 1.11 0.00 0.00 32.58 30.71 2jka s HIS 507 CO 0.07 -0.31 0.00 0.39 -0.85 0.00 0.00 174.74 174.03 2jka n GLU 508 N -1.41 0.00 -1.19 1.40 4.71 -1.26 -3.34 120.64 119.54 2jka n GLU 508 Ca 0.06 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.92 2jka n GLU 508 Cb 0.54 -4.25 0.17 0.00 -1.01 0.00 0.00 31.44 26.88 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 -1.24 1.12 0.29 0.62 0.00 -1.25 -4.86 121.76 116.44 2jka s ALA 509 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.37 2jka s ALA 509 Cb 0.00 -3.13 -0.13 0.00 0.00 0.00 0.00 23.12 19.86 2jka s ALA 509 CO 0.00 -2.70 1.28 2.41 0.00 0.00 0.00 175.76 176.74 2jka n THR 510 N -4.09 1.55 -2.12 0.00 -1.04 -1.26 -4.63 114.28 102.69 2jka n THR 510 Ca 0.06 -0.39 -0.38 0.00 -2.04 0.00 0.00 64.05 61.30 2jka n THR 510 Cb 0.57 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 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 -1.20 3.67 0.80 -2.82 1.04 -1.26 -4.94 118.95 114.24 2jka s ARG 511 Ca 0.62 1.94 -0.11 0.00 -1.04 0.00 0.00 55.73 57.14 2jka s ARG 511 Cb -0.64 -2.45 0.07 0.00 -2.04 0.00 0.00 34.95 29.90 2jka s ARG 511 CO 0.57 -0.67 1.11 -1.25 -0.04 0.00 0.00 175.30 175.02 2jka s PRO 512 N -2.64 1.97 0.00 3.89 0.04 -1.26 -4.99 135.00 132.02 2jka s PRO 512 Ca 0.64 1.31 0.11 0.00 0.04 0.00 0.00 61.00 63.10 2jka s PRO 512 Cb -0.33 -1.86 0.19 0.00 0.04 0.00 0.00 34.50 32.54 2jka s PRO 512 CO 0.40 -1.88 1.02 0.25 0.04 0.00 0.00 177.00 176.83 2jka n THR 513 N -3.59 0.00 -0.29 1.26 -2.24 -1.17 -4.56 114.28 103.68 2jka n THR 513 Ca 0.10 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2jka n THR 513 Cb 0.53 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 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 0.22 0.75 0.31 3.38 0.00 0.54 -1.03 105.19 109.35 2jka n GLY 514 Ca -0.03 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.18 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 0.05 -0.74 -0.61 2.04 -1.92 -1.68 117.51 114.65 2jka h ILE 515 Ca 0.00 -0.28 0.21 0.00 1.00 0.00 0.00 64.86 65.79 2jka h ILE 515 Cb 0.00 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 2jka h ILE 515 CO 0.00 0.01 0.54 0.00 0.00 0.00 0.00 178.15 178.70 2jka h ARG 517 N 0.00 0.46 -0.29 0.00 2.43 -1.61 -1.32 114.38 114.05 2jka h ARG 517 Ca 0.35 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.31 2jka h ARG 517 Cb 1.42 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 2jka h ARG 517 CO -0.00 0.30 -0.52 1.15 -1.51 0.00 0.00 179.97 179.39 2jka h THR 518 N 0.47 1.28 -3.04 0.20 2.02 -0.71 -3.06 112.91 110.07 2jka h THR 518 Ca 0.15 -1.71 -0.62 0.00 0.77 0.00 0.00 66.41 65.00 2jka h THR 518 Cb -0.01 1.63 -0.41 0.00 -1.74 0.00 0.00 68.15 67.63 2jka h THR 518 CO -0.06 0.56 -0.69 -0.31 0.37 0.00 0.00 175.52 175.39 2jka s TYR 519 N -4.14 2.66 -1.48 3.16 2.02 0.58 -1.15 117.35 118.99 2jka s TYR 519 Ca -0.11 -2.88 0.07 0.00 -0.37 0.00 0.00 57.07 53.78 2jka s TYR 519 Cb 0.10 -2.25 0.37 0.00 -0.40 0.00 0.00 41.96 39.78 2jka s TYR 519 CO 0.89 -0.70 1.07 -2.30 -1.57 0.00 0.00 175.55 172.93 2jka n PRO 520 N 2.86 0.11 0.02 -1.71 -0.02 -0.52 -1.45 135.00 134.29 2jka n PRO 520 Ca 0.14 0.20 0.13 0.00 -2.02 0.00 0.00 63.50 61.95 2jka n PRO 520 Cb 0.36 -1.50 0.55 0.00 -0.02 0.00 0.00 33.50 32.89 2jka n PRO 520 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2jka n ASN 521 N -1.26 0.15 -4.57 2.55 6.94 -1.26 -4.28 115.26 113.52 2jka n ASN 521 Ca 0.04 0.52 -0.37 0.00 -0.02 0.00 0.00 54.58 54.74 2jka n ASN 521 Cb 0.05 -0.55 -0.03 0.00 -2.36 0.00 0.00 39.78 36.89 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 -3.28 3.49 0.00 -4.53 2.96 -0.53 -0.49 118.68 116.30 2jka s LEU 522 Ca 0.13 -1.81 0.26 0.00 -0.22 0.00 0.00 54.13 52.49 2jka s LEU 522 Cb 0.17 -2.58 0.74 0.00 0.50 0.00 0.00 46.19 45.02 2jka s LEU 522 CO 0.51 -1.88 1.55 2.30 -1.32 0.00 0.00 176.35 177.51 2jka n ILE 523 N 7.02 0.00 -3.51 6.68 -5.35 -0.86 -4.75 119.36 118.59 2jka n ILE 523 Ca 0.43 -0.13 -0.08 0.00 -0.27 0.00 0.00 62.75 62.70 2jka n ILE 523 Cb 0.47 0.40 -0.02 0.00 -1.74 0.00 0.00 39.64 38.76 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 -2.52 -0.45 0.08 3.28 0.00 -1.15 -4.43 107.32 102.12 2jka s GLY 524 Ca 0.24 1.08 -0.01 0.00 0.00 0.00 0.00 44.72 46.02 2jka s GLY 524 CO 0.53 0.38 -0.00 -1.31 0.00 0.00 0.00 173.10 172.69 2jka s ASN 525 N -2.40 0.46 0.00 1.64 0.01 -1.23 -1.51 114.94 111.90 2jka s ASN 525 Ca 0.05 -1.07 0.00 0.00 -0.71 0.00 0.00 52.86 51.13 2jka s ASN 525 Cb -0.01 0.23 0.00 0.00 0.41 0.00 0.00 41.25 41.88 2jka s ASN 525 CO -0.08 -0.64 0.00 1.21 -1.51 0.00 0.00 177.10 176.08 2jka n GLU 526 N 0.04 0.00 -3.49 -0.60 2.13 -1.17 -0.64 120.64 116.91 2jka n GLU 526 Ca -0.11 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.50 2jka n GLU 526 Cb 0.62 -0.14 0.08 0.00 0.27 0.00 0.00 31.44 32.26 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 -0.50 -5.43 0.00 4.31 7.64 -1.26 -4.75 113.62 113.62 2jka n SER 527 Ca 0.00 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.36 2jka n SER 527 Cb 0.00 -4.74 0.00 0.00 -1.01 0.00 0.00 64.21 58.46 2jka n SER 527 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jka n ALA 528 N -4.69 0.00 -2.60 -0.43 0.00 -1.26 -4.69 120.51 106.84 2jka n ALA 528 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 2jka n ALA 528 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.98 2jka n ALA 528 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2jka s ARG 529 N -1.84 3.82 0.13 0.00 3.52 -1.21 -4.52 118.95 118.86 2jka s ARG 529 Ca 0.00 0.54 0.02 0.00 -0.13 0.00 0.00 55.73 56.16 2jka s ARG 529 Cb 0.00 -3.81 0.02 0.00 -1.56 0.00 0.00 34.95 29.60 2jka s ARG 529 CO 0.00 -0.95 0.15 0.41 -0.81 0.00 0.00 175.30 174.11 2jka n GLY 530 N 4.41 2.30 0.38 8.12 0.00 -1.26 -4.99 105.19 114.15 2jka n GLY 530 Ca 0.07 -2.17 0.15 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 0.20 0.81 -0.93 2.61 2.02 -1.73 -1.98 112.91 113.90 2jka h THR 531 Ca -0.07 -0.15 0.22 0.00 0.77 0.00 0.00 66.41 67.18 2jka h THR 531 Cb 0.29 0.34 -0.07 0.00 -1.74 0.00 0.00 68.15 66.97 2jka h THR 531 CO 0.10 0.08 0.62 1.05 0.37 0.00 0.00 175.52 177.73 2jka h GLU 532 N 0.43 0.38 0.00 6.66 4.11 -1.88 0.24 114.58 124.51 2jka h GLU 532 Ca 0.36 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.77 2jka h GLU 532 Cb 0.82 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2jka h GLU 532 CO -0.12 0.25 0.00 1.88 0.07 0.00 0.00 179.01 181.09 2jka h TYR 533 N 0.39 0.00 0.00 2.06 -1.99 -1.73 -0.22 116.97 115.47 2jka h TYR 533 Ca 0.49 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.22 2jka h TYR 533 Cb 1.26 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.99 2jka h TYR 533 CO -0.00 0.00 0.00 0.93 -0.00 0.00 0.00 178.16 179.09 2jka h GLU 534 N 0.00 0.00 0.00 4.88 4.39 -0.67 0.60 114.58 123.78 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 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2jka h GLU 534 CO 0.00 0.00 -0.90 0.45 -1.16 0.00 0.00 179.01 177.40 2jka n SER 535 N -2.39 0.72 -1.35 1.42 2.88 -0.10 -3.93 113.62 110.88 2jka n SER 535 Ca 0.00 -0.56 -0.07 0.00 -1.33 0.00 0.00 58.87 56.92 2jka n SER 535 Cb 0.16 0.77 0.21 0.00 -0.75 0.00 0.00 64.21 64.60 2jka n SER 535 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2jka n PHE 536 N -1.64 1.46 0.00 0.66 3.72 -0.17 -4.65 117.46 116.84 2jka n PHE 536 Ca 0.04 -1.57 0.00 0.00 -0.05 0.00 0.00 57.45 55.87 2jka n PHE 536 Cb 0.37 -0.56 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 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 -1.04 2.28 0.00 1.37 0.00 -1.18 -5.02 105.19 101.61 2jka n GLY 537 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.22 3.18 3.90 -0.02 0.00 0.03 -4.63 105.19 107.43 2jka n GLY 538 Ca 0.00 -1.92 -0.22 0.00 0.00 0.00 0.00 46.02 43.89 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 5.95 0.54 1.61 0.01 -1.26 -4.59 114.94 117.20 2jka s ASN 539 Ca 0.00 -0.07 -0.21 0.00 -0.71 0.00 0.00 52.86 51.86 2jka s ASN 539 Cb 0.00 -1.65 -0.05 0.00 0.41 0.00 0.00 41.25 39.96 2jka s ASN 539 CO 0.00 -0.05 1.28 -0.54 -1.51 0.00 0.00 177.10 176.28 2jka s LYS 540 N -3.88 3.22 0.42 -0.60 1.02 -1.26 -4.56 119.74 114.10 2jka s LYS 540 Ca 0.33 2.05 0.10 0.00 0.02 0.00 0.00 55.97 58.48 2jka s LYS 540 Cb -0.09 -2.22 0.95 0.00 -0.52 0.00 0.00 37.83 35.96 2jka s LYS 540 CO 0.27 -1.07 2.02 0.28 -0.92 0.00 0.00 175.35 175.94 2jka h VAL 541 N 1.40 1.00 -0.11 3.17 2.07 -1.97 -0.69 116.25 121.12 2jka h VAL 541 Ca -0.50 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2jka h VAL 541 Cb 1.29 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2jka h VAL 541 CO 0.57 0.09 0.00 0.00 0.02 0.00 0.00 177.57 178.25 2jka n TYR 542 N -4.48 0.14 -0.07 1.57 0.18 -1.26 -4.54 117.16 108.71 2jka n TYR 542 Ca 0.06 -0.07 -0.07 0.00 1.88 0.00 0.00 57.90 59.70 2jka n TYR 542 Cb 0.21 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.16 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 1.64 -0.49 0.00 -3.48 2.76 -1.47 -1.06 115.15 113.05 2jka h HIS 543 Ca 0.00 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2jka h HIS 543 Cb 0.36 0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.58 2jka h HIS 543 CO 0.07 -0.27 0.00 0.25 -1.30 0.00 0.00 177.93 176.68 2jka n THR 544 N -5.35 0.42 1.31 6.26 -2.24 -1.26 -1.08 114.28 112.34 2jka n THR 544 Ca 0.00 0.10 0.13 0.00 -2.27 0.00 0.00 64.05 62.02 2jka n THR 544 Cb 0.26 -0.76 0.44 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.34 0.00 -0.10 4.28 -2.24 -0.41 -4.33 114.28 110.13 2jka n THR 545 Ca 0.09 -0.13 -0.17 0.00 -2.27 0.00 0.00 64.05 61.57 2jka n THR 545 Cb 0.19 0.31 -0.08 0.00 -2.10 0.00 0.00 70.33 68.64 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 -0.62 1.07 -0.29 2.28 5.41 -0.24 -2.11 119.36 124.86 2jka n ILE 546 Ca 0.13 -0.34 0.11 0.00 1.00 0.00 0.00 62.75 63.66 2jka n ILE 546 Cb 0.33 -1.45 0.26 0.00 -0.71 0.00 0.00 39.64 38.08 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 -0.34 -0.08 -2.04 1.39 3.38 -1.58 0.18 115.31 116.21 2jka h LEU 547 Ca -0.45 0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 2jka h LEU 547 Cb 1.54 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.57 2jka h LEU 547 CO -0.18 -0.16 -0.09 -0.65 0.09 0.00 0.00 178.44 177.45 2jka h PRO 548 N 0.19 0.00 0.00 1.13 0.11 -1.86 -1.09 132.00 130.48 2jka h PRO 548 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 2jka h PRO 548 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2jka h PRO 548 CO -0.66 0.09 -0.29 1.19 -0.21 0.00 0.00 178.00 178.12 2jka n PHE 549 N -3.73 0.29 0.00 0.65 3.72 0.58 -4.33 117.46 114.64 2jka n PHE 549 Ca -0.02 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 2jka n PHE 549 Cb 0.20 -0.54 0.00 0.00 -0.94 0.00 0.00 39.48 38.20 2jka n PHE 549 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2jka n THR 550 N -1.77 0.00 -0.27 4.37 -2.24 -0.52 -4.71 114.28 109.14 2jka n THR 550 Ca 0.05 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.90 2jka n THR 550 Cb 0.38 -0.15 0.21 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.42 0.00 -0.78 9.65 -1.62 -0.78 114.38 121.26 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 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.49 2jka h ARG 551 CO 0.00 0.28 0.00 -0.07 2.80 0.00 0.00 179.97 182.98 2jka h LEU 552 N 0.43 0.00 -8.69 3.80 3.38 -1.47 -3.41 115.31 109.34 2jka h LEU 552 Ca 0.44 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.86 2jka h LEU 552 Cb 0.70 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 2jka h LEU 552 CO -0.43 0.00 1.15 -0.69 0.09 0.00 0.00 178.44 178.56 2jka s VAL 553 N -3.49 3.72 0.00 1.22 1.01 -0.30 -1.93 120.40 120.63 2jka s VAL 553 Ca 0.02 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.67 2jka s VAL 553 Cb 0.09 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.31 2jka s VAL 553 CO 0.40 -0.87 0.00 0.61 0.00 0.00 0.00 175.10 175.24 2jka n GLY 554 N 5.28 1.57 0.00 4.51 0.00 -1.26 -4.72 105.19 110.57 2jka n GLY 554 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 3.46 3.69 -0.02 0.00 -0.82 -0.33 105.19 111.17 2jka n GLY 555 Ca 0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.21 0.96 0.00 1.61 0.04 -1.26 -4.40 135.00 129.74 2jka s PRO 556 Ca 0.00 0.84 0.08 0.00 0.04 0.00 0.00 61.00 61.96 2jka s PRO 556 Cb 0.00 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 2jka s PRO 556 CO 0.00 -2.45 -0.26 1.41 0.04 0.00 0.00 177.00 175.74 2jka s MET 557 N -4.88 2.02 -1.16 4.56 1.75 -1.26 -3.58 119.30 116.76 2jka s MET 557 Ca 0.64 -0.99 -0.17 0.00 -1.25 0.00 0.00 55.69 53.93 2jka s MET 557 Cb -0.19 -2.03 0.12 0.00 2.84 0.00 0.00 34.83 35.58 2jka s MET 557 CO 0.58 0.55 1.46 0.34 -0.65 0.00 0.00 175.02 177.29 2jka s ASP 558 N -0.82 6.86 0.29 1.11 2.15 0.18 -4.75 116.67 121.69 2jka s ASP 558 Ca 0.11 -2.48 0.24 0.00 0.43 0.00 0.00 52.55 50.84 2jka s ASP 558 Cb -0.10 -2.47 0.41 0.00 -0.30 0.00 0.00 42.92 40.46 2jka s ASP 558 CO 0.00 -1.01 1.51 0.22 -0.17 0.00 0.00 175.17 175.72 2jka h TYR 559 N 7.91 0.00 -6.08 -5.34 3.20 -1.87 -3.43 116.97 111.36 2jka h TYR 559 Ca 0.31 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.85 2jka h TYR 559 Cb 0.92 0.00 0.06 0.00 1.54 0.00 0.00 36.73 39.25 2jka h TYR 559 CO 1.22 0.00 -0.74 0.25 -1.64 0.00 0.00 178.16 177.25 2jka n THR 560 N -2.65 -6.62 -1.89 1.81 -2.24 -1.26 -2.39 114.28 99.04 2jka n THR 560 Ca 0.04 -0.64 -0.26 0.00 -2.27 0.00 0.00 64.05 60.92 2jka n THR 560 Cb 0.49 -4.83 0.18 0.00 -2.10 0.00 0.00 70.33 64.07 2jka n THR 560 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2jka n PRO 561 N -3.25 -1.10 0.00 -0.78 -0.04 -1.25 -4.63 135.00 123.95 2jka n PRO 561 Ca -0.11 -1.91 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 2jka n PRO 561 Cb 0.59 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 2jka n PRO 561 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jka n GLY 562 N -2.83 1.79 3.66 0.55 0.00 -1.26 -1.81 105.19 105.28 2jka n GLY 562 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 4.76 -0.23 -0.61 -1.09 -1.26 -3.74 121.20 117.03 2jka s ILE 563 Ca 0.00 1.85 -0.01 0.00 -2.23 0.00 0.00 60.65 60.26 2jka s ILE 563 Cb 0.00 -4.23 -0.14 0.00 -1.58 0.00 0.00 42.46 36.51 2jka s ILE 563 CO 0.00 -0.11 -0.22 0.49 -1.23 0.00 0.00 174.94 173.87 2jka n PHE 564 N 6.00 0.00 -2.99 3.97 3.01 -1.26 -4.70 117.46 121.49 2jka n PHE 564 Ca 0.09 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.11 2jka n PHE 564 Cb 0.47 -0.87 -0.04 0.00 -0.01 0.00 0.00 39.48 39.04 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 -2.45 3.22 0.00 -1.08 2.56 -1.26 -4.87 118.70 114.82 2jka s GLU 565 Ca -0.31 -1.30 0.29 0.00 0.00 0.00 0.00 54.97 53.65 2jka s GLU 565 Cb 0.09 -4.41 1.21 0.00 2.00 0.00 0.00 34.13 33.02 2jka s GLU 565 CO 0.50 -1.68 1.85 0.25 -0.56 0.00 0.00 175.26 175.62 2jka n THR 566 N 5.60 0.00 -3.21 -1.70 -2.24 -1.26 -4.56 114.28 106.90 2jka n THR 566 Ca 0.01 -0.06 -0.44 0.00 -2.27 0.00 0.00 64.05 61.29 2jka n THR 566 Cb 0.45 -0.08 -0.07 0.00 -2.10 0.00 0.00 70.33 68.54 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 -2.48 3.10 0.58 4.78 3.76 -1.26 -0.76 115.29 123.02 2jka s HIS 567 Ca 0.29 -0.63 0.43 0.00 -0.15 0.00 0.00 55.06 54.99 2jka s HIS 567 Cb 0.20 -3.45 2.32 0.00 1.11 0.00 0.00 32.58 32.76 2jka s HIS 567 CO 0.48 -0.98 2.31 0.00 -0.85 0.00 0.00 174.74 175.70 2jka n ASN 569 N -3.01 0.60 0.16 0.00 0.23 -0.75 -0.93 115.26 111.55 2jka n ASN 569 Ca -0.03 0.68 0.13 0.00 -0.53 0.00 0.00 54.58 54.83 2jka n ASN 569 Cb 0.07 -0.79 0.37 0.00 -2.08 0.00 0.00 39.78 37.35 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 0.14 -3.83 1.57 -1.65 -3.11 116.57 109.68 2jka h LYS 570 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 2jka h LYS 570 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 2jka h LYS 570 CO 0.00 0.00 -1.67 0.52 -0.57 0.00 0.00 179.45 177.73 2jka h MET 571 N 0.00 0.29 -2.56 3.15 2.86 -1.23 -3.47 114.93 113.98 2jka h MET 571 Ca 0.00 -0.50 -0.29 0.00 -2.06 0.00 0.00 59.70 56.85 2jka h MET 571 Cb 0.75 0.19 -0.35 0.00 0.06 0.00 0.00 31.60 32.25 2jka h MET 571 CO 0.00 1.24 -0.61 1.21 1.06 0.00 0.00 176.91 179.81 2jka s ASN 572 N -7.12 1.14 0.53 1.22 2.47 -0.70 -4.41 114.94 108.07 2jka s ASN 572 Ca -0.20 -0.06 0.29 0.00 0.42 0.00 0.00 52.86 53.32 2jka s ASN 572 Cb 0.05 0.46 1.51 0.00 -1.45 0.00 0.00 41.25 41.82 2jka s ASN 572 CO 0.79 -0.31 2.08 1.55 -3.72 0.00 0.00 177.10 177.49 2jka h PRO 573 N 8.30 0.00 0.00 0.43 0.13 -1.82 0.51 132.00 139.56 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 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2jka h PRO 573 CO 0.25 0.10 0.00 0.00 -0.23 0.00 0.00 178.00 178.13 2jka n ALA 574 N -2.24 2.07 -3.23 -0.56 0.00 -1.26 -4.61 120.51 110.68 2jka n ALA 574 Ca -0.02 -0.09 -0.40 0.00 0.00 0.00 0.00 53.44 52.93 2jka n ALA 574 Cb 0.24 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.24 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 -2.69 5.67 -0.17 0.00 3.84 0.17 -4.95 114.94 116.81 2jka s ASN 575 Ca 0.17 -1.47 0.11 0.00 0.21 0.00 0.00 52.86 51.89 2jka s ASN 575 Cb 0.14 -2.00 0.63 0.00 -0.55 0.00 0.00 41.25 39.47 2jka s ASN 575 CO 0.34 -0.54 1.46 0.59 -2.79 0.00 0.00 177.10 176.17 2jka n ASN 576 N 4.94 4.58 -4.78 -4.21 4.13 -1.26 -1.81 115.26 116.85 2jka n ASN 576 Ca -0.10 -2.68 -0.35 0.00 1.68 0.00 0.00 54.58 53.12 2jka n ASN 576 Cb 0.43 -0.63 -0.02 0.00 -1.54 0.00 0.00 39.78 38.02 2jka n ASN 576 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2jka s SER 577 N -0.62 6.11 -0.07 6.41 0.15 -1.26 -4.89 113.70 119.53 2jka s SER 577 Ca 0.42 2.11 0.01 0.00 0.70 0.00 0.00 55.95 59.19 2jka s SER 577 Cb 0.32 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 62.06 2jka s SER 577 CO 0.13 -0.94 -0.09 -1.58 1.20 0.00 0.00 173.24 171.96 2jka s GLN 578 N -3.07 1.38 0.18 5.44 0.74 -1.26 -1.76 119.66 121.31 2jka s GLN 578 Ca 0.68 -0.27 -0.32 0.00 0.05 0.00 0.00 55.36 55.50 2jka s GLN 578 Cb -0.22 -1.28 -0.11 0.00 1.10 0.00 0.00 33.01 32.50 2jka s GLN 578 CO 0.26 -0.08 1.70 0.08 -0.55 0.00 0.00 175.29 176.70 2jka s VAL 579 N 1.02 2.32 -1.33 1.34 1.01 0.07 -4.59 120.40 120.24 2jka s VAL 579 Ca -0.08 0.16 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 2jka s VAL 579 Cb -0.15 -3.10 0.11 0.00 0.00 0.00 0.00 36.38 33.25 2jka s VAL 579 CO -0.00 0.01 1.90 0.54 0.00 0.00 0.00 175.10 177.54 2jka n ARG 580 N 4.36 3.26 -3.48 2.72 1.74 -1.26 -4.85 116.66 119.15 2jka n ARG 580 Ca 0.16 -3.24 -0.15 0.00 -0.77 0.00 0.00 57.85 53.85 2jka n ARG 580 Cb 0.37 -3.16 -0.04 0.00 -1.02 0.00 0.00 32.46 28.61 2jka n ARG 580 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2jka s SER 581 N 2.48 -0.59 0.55 0.55 0.15 -1.26 -4.75 113.70 110.83 2jka s SER 581 Ca 0.45 0.36 -0.00 0.00 0.70 0.00 0.00 55.95 57.46 2jka s SER 581 Cb 0.08 0.55 0.03 0.00 -1.71 0.00 0.00 66.02 64.96 2jka s SER 581 CO -0.01 -0.75 0.78 0.42 1.20 0.00 0.00 173.24 174.88 2jka s THR 582 N -2.37 3.00 0.20 6.45 -4.23 -0.61 -4.63 115.64 113.45 2jka s THR 582 Ca -0.05 -0.54 -0.11 0.00 -1.18 0.00 0.00 61.69 59.82 2jka s THR 582 Cb -0.00 -3.14 0.13 0.00 1.34 0.00 0.00 72.50 70.83 2jka s THR 582 CO -0.01 -0.11 1.82 0.40 -0.54 0.00 0.00 174.62 176.19 2jka h ILE 583 N 0.06 1.21 -0.30 2.99 2.04 -1.24 -2.72 117.51 119.55 2jka h ILE 583 Ca -0.43 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 2jka h ILE 583 Cb 1.29 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 2jka h ILE 583 CO 0.55 0.23 -0.03 0.00 0.00 0.00 0.00 178.15 178.90 2jka h ALA 584 N 1.21 1.40 -0.10 1.87 0.00 -1.86 -2.04 119.26 119.74 2jka h ALA 584 Ca 0.25 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2jka h ALA 584 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2jka h ALA 584 CO -0.04 0.42 -0.43 -0.09 0.00 0.00 0.00 179.25 179.10 2jka h ARG 585 N 0.44 0.23 -0.82 0.00 2.43 -1.70 -1.92 114.38 113.05 2jka h ARG 585 Ca 0.09 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2jka h ARG 585 Cb 0.34 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 2jka h ARG 585 CO 0.01 0.63 0.37 1.96 -1.51 0.00 0.00 179.97 181.43 2jka h GLN 586 N 0.19 1.20 -0.42 0.20 1.08 -1.08 -2.13 115.11 114.15 2jka h GLN 586 Ca 0.01 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.01 2jka h GLN 586 Cb 0.85 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 28.05 2jka h GLN 586 CO 0.07 0.94 0.23 -0.07 -0.95 0.00 0.00 178.83 179.04 2jka h LEU 587 N 1.18 0.52 -1.32 1.46 3.38 -1.17 -2.86 115.31 116.50 2jka h LEU 587 Ca 0.28 -0.09 0.19 0.00 0.09 0.00 0.00 57.88 58.35 2jka h LEU 587 Cb 0.16 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 2jka h LEU 587 CO -0.03 0.46 0.60 0.00 0.09 0.00 0.00 178.44 179.56 2jka h ALA 588 N 1.08 1.98 0.00 1.53 0.00 -0.73 -2.16 119.26 120.96 2jka h ALA 588 Ca 0.15 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2jka h ALA 588 Cb 0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2jka h ALA 588 CO -0.02 -0.28 -0.02 -0.07 0.00 0.00 0.00 179.25 178.86 2jka h LEU 589 N 0.57 0.00 -1.70 0.00 3.38 -1.18 0.24 115.31 116.63 2jka h LEU 589 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 2jka h LEU 589 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2jka h LEU 589 CO -0.24 0.02 0.00 1.88 0.09 0.00 0.00 178.44 180.19 2jka h TYR 590 N 0.00 0.00 0.00 1.13 0.05 -1.54 0.55 116.97 117.17 2jka h TYR 590 Ca -0.00 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.57 2jka h TYR 590 Cb 0.06 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.76 2jka h TYR 590 CO 0.00 0.00 -1.81 0.28 -1.05 0.00 0.00 178.16 175.58 2jka n VAL 591 N -2.66 0.81 0.32 -2.88 0.31 0.63 -4.72 118.33 110.14 2jka n VAL 591 Ca -0.01 -0.34 0.12 0.00 -0.01 0.00 0.00 64.34 64.11 2jka n VAL 591 Cb 0.15 -0.97 0.16 0.00 -0.91 0.00 0.00 33.84 32.28 2jka n VAL 591 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2jka h THR 592 N 0.00 0.00 -3.48 2.52 1.35 -0.83 -3.37 112.91 109.10 2jka h THR 592 Ca -0.32 -0.82 -0.72 0.00 -0.55 0.00 0.00 66.41 64.00 2jka h THR 592 Cb 1.52 1.62 -0.33 0.00 -1.73 0.00 0.00 68.15 69.22 2jka h THR 592 CO -0.04 0.00 -0.09 -0.04 -0.25 0.00 0.00 175.52 175.10 2jka s MET 593 N -3.23 3.21 0.24 4.72 1.00 0.18 -4.82 119.30 120.60 2jka s MET 593 Ca 0.05 -2.96 -0.31 0.00 0.00 0.00 0.00 55.69 52.47 2jka s MET 593 Cb 0.09 -4.01 -0.12 0.00 0.00 0.00 0.00 34.83 30.79 2jka s MET 593 CO 0.70 -1.24 1.66 0.98 0.00 0.00 0.00 175.02 177.12 2jka n TYR 594 N 2.90 2.76 -3.64 -0.03 9.36 -1.26 -4.77 117.16 122.48 2jka n TYR 594 Ca 0.17 0.14 -0.10 0.00 3.32 0.00 0.00 57.90 61.43 2jka n TYR 594 Cb 0.39 -2.63 -0.07 0.00 -0.63 0.00 0.00 39.34 36.39 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 0.87 -0.53 0.00 2.98 0.15 -1.26 -3.98 113.70 111.92 2jka s SER 595 Ca 0.71 1.03 0.29 0.00 0.70 0.00 0.00 55.95 58.68 2jka s SER 595 Cb -0.51 1.05 1.63 0.00 -1.71 0.00 0.00 66.02 66.48 2jka s SER 595 CO 0.39 -0.18 2.05 -0.81 1.20 0.00 0.00 173.24 175.90 2jka n PRO 596 N 2.37 0.72 -4.06 5.44 -0.04 -1.26 -4.57 135.00 133.60 2jka n PRO 596 Ca -0.13 0.01 -0.32 0.00 -0.04 0.00 0.00 63.50 63.02 2jka n PRO 596 Cb 0.56 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.23 2.81 -0.13 1.53 2.96 -1.26 -0.70 118.68 121.67 2jka s LEU 597 Ca 0.37 -1.09 -0.01 0.00 -0.22 0.00 0.00 54.13 53.19 2jka s LEU 597 Cb 0.20 -1.43 0.03 0.00 0.50 0.00 0.00 46.19 45.48 2jka s LEU 597 CO 0.38 -0.14 -0.06 -1.10 -1.32 0.00 0.00 176.35 174.11 2jka s GLN 598 N 1.23 1.42 0.18 1.98 -1.52 -0.35 -4.73 119.66 117.88 2jka s GLN 598 Ca -0.04 -0.30 -0.10 0.00 -1.95 0.00 0.00 55.36 52.97 2jka s GLN 598 Cb -0.17 -1.66 -0.07 0.00 -0.22 0.00 0.00 33.01 30.88 2jka s GLN 598 CO -0.08 -0.32 0.52 1.41 -0.25 0.00 0.00 175.29 176.57 2jka s MET 599 N 1.71 3.83 -0.37 2.91 -2.45 -1.26 -1.19 119.30 122.48 2jka s MET 599 Ca 0.04 0.29 -0.07 0.00 -1.25 0.00 0.00 55.69 54.71 2jka s MET 599 Cb -0.13 -2.77 0.06 0.00 1.25 0.00 0.00 34.83 33.24 2jka s MET 599 CO -0.08 0.40 0.17 0.00 1.05 0.00 0.00 175.02 176.55 2jka s ALA 600 N -1.67 3.13 -0.83 4.11 0.00 -0.23 -3.76 121.76 122.52 2jka s ALA 600 Ca 0.43 -2.00 0.24 0.00 0.00 0.00 0.00 51.96 50.63 2jka s ALA 600 Cb -0.13 -2.40 0.21 0.00 0.00 0.00 0.00 23.12 20.80 2jka s ALA 600 CO 0.21 -1.51 1.18 0.00 0.00 0.00 0.00 175.76 175.64 2jka n ALA 601 N 4.81 3.65 -1.87 0.00 0.00 -0.75 -4.44 120.51 121.92 2jka n ALA 601 Ca -0.10 -0.40 -0.29 0.00 0.00 0.00 0.00 53.44 52.64 2jka n ALA 601 Cb 0.43 -1.01 0.12 0.00 0.00 0.00 0.00 19.45 18.99 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 -3.42 4.08 0.39 0.00 -1.08 -1.25 -4.43 116.67 110.96 2jka s ASP 602 Ca 0.08 0.69 -0.23 0.00 -0.52 0.00 0.00 52.55 52.56 2jka s ASP 602 Cb 0.16 -1.08 -0.11 0.00 -1.46 0.00 0.00 42.92 40.43 2jka s ASP 602 CO 0.77 -2.17 0.95 0.27 0.52 0.00 0.00 175.17 175.51 2jka s ILE 603 N -3.61 4.31 0.35 4.11 -4.36 -1.26 -4.84 121.20 115.89 2jka s ILE 603 Ca 0.65 1.62 0.11 0.00 -0.26 0.00 0.00 60.65 62.77 2jka s ILE 603 Cb -0.10 -3.76 0.34 0.00 1.25 0.00 0.00 42.46 40.19 2jka s ILE 603 CO 0.50 -0.14 1.78 -0.65 0.24 0.00 0.00 174.94 176.68 2jka h PRO 604 N 2.40 0.58 -0.04 0.37 0.11 -1.96 -0.07 132.00 133.40 2jka h PRO 604 Ca -0.48 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 2jka h PRO 604 Cb 1.18 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2jka h PRO 604 CO 0.63 0.38 -0.19 1.05 -0.21 0.00 0.00 178.00 179.65 2jka h GLU 605 N 0.60 0.07 -0.20 1.05 4.11 -1.99 -0.22 114.58 117.99 2jka h GLU 605 Ca 0.57 -0.02 -0.21 0.00 0.07 0.00 0.00 59.36 59.78 2jka h GLU 605 Cb 1.13 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.38 2jka h GLU 605 CO -0.34 0.26 -0.70 -0.91 0.07 0.00 0.00 179.01 177.39 2jka h ASN 606 N 0.06 0.96 -0.42 3.06 2.35 -1.40 -3.06 115.58 117.14 2jka h ASN 606 Ca 0.01 -0.59 -0.02 0.00 -0.55 0.00 0.00 56.30 55.15 2jka h ASN 606 Cb 0.38 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2jka h ASN 606 CO 0.03 1.39 0.21 1.88 -1.65 0.00 0.00 177.43 179.29 2jka h TYR 607 N 0.59 0.65 -0.00 1.19 0.05 -0.96 -2.37 116.97 116.11 2jka h TYR 607 Ca -0.03 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.73 2jka h TYR 607 Cb 1.33 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 38.86 2jka h TYR 607 CO 0.08 0.49 0.00 0.93 -1.05 0.00 0.00 178.16 178.62 2jka h GLU 608 N 0.65 0.00 0.00 4.88 4.39 -0.98 -1.81 114.58 121.71 2jka h GLU 608 Ca 0.16 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 2jka h GLU 608 Cb 0.10 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2jka h GLU 608 CO -0.02 0.00 -0.20 0.00 -1.16 0.00 0.00 179.01 177.63 2jka h ARG 609 N 0.00 0.00 -1.15 2.33 3.08 -1.34 -3.32 114.38 113.99 2jka h ARG 609 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.63 2jka h ARG 609 Cb 0.00 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.64 2jka h ARG 609 CO -0.00 0.20 -1.07 1.19 -1.07 0.00 0.00 179.97 179.22 2jka n PHE 610 N -3.31 1.76 0.23 3.04 3.72 -0.72 -4.92 117.46 117.26 2jka n PHE 610 Ca 0.01 -2.89 0.07 0.00 -0.05 0.00 0.00 57.45 54.58 2jka n PHE 610 Cb 0.45 -0.30 0.57 0.00 -0.94 0.00 0.00 39.48 39.26 2jka n PHE 610 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 2jka h MET 611 N 2.89 0.03 -0.40 -1.08 4.05 -1.55 -1.46 114.93 117.41 2jka h MET 611 Ca 0.01 -0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.35 2jka h MET 611 Cb 1.11 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.89 2jka h MET 611 CO 0.59 0.10 -0.04 0.38 0.23 0.00 0.00 176.91 178.17 2jka h ASP 612 N 0.03 0.72 -0.47 1.39 2.03 -1.91 -2.63 116.42 115.59 2jka h ASP 612 Ca 0.01 -0.33 -0.10 0.00 -0.73 0.00 0.00 57.03 55.87 2jka h ASP 612 Cb 0.13 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 38.42 2jka h ASP 612 CO 0.01 0.88 -0.11 0.00 -1.03 0.00 0.00 179.24 178.99 2jka h ALA 613 N 0.87 0.65 -0.34 4.15 0.00 -1.84 -2.83 119.26 119.91 2jka h ALA 613 Ca 0.11 -0.34 0.10 0.00 0.00 0.00 0.00 54.91 54.78 2jka h ALA 613 Cb 0.53 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2jka h ALA 613 CO 0.03 0.55 0.47 0.35 0.00 0.00 0.00 179.25 180.64 2jka h PHE 614 N 0.75 0.00 -0.72 0.00 3.57 -1.07 -1.46 116.94 118.01 2jka h PHE 614 Ca 0.12 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.72 2jka h PHE 614 Cb 0.66 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 2jka h PHE 614 CO 0.05 0.00 0.48 0.37 -2.23 0.00 0.00 178.31 176.98 2jka h GLN 615 N 0.00 0.57 -0.52 1.11 5.75 -1.21 -1.68 115.11 119.14 2jka h GLN 615 Ca 0.16 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.54 2jka h GLN 615 Cb 1.10 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.50 2jka h GLN 615 CO -0.00 0.38 -0.04 0.35 -2.65 0.00 0.00 178.83 176.87 2jka h PHE 616 N 0.59 0.99 -0.44 3.99 3.57 -1.47 -0.08 116.94 124.08 2jka h PHE 616 Ca 0.34 -0.17 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 2jka h PHE 616 Cb 0.52 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 2jka h PHE 616 CO -0.00 0.91 -0.05 0.82 -2.23 0.00 0.00 178.31 177.75 2jka h ILE 617 N 0.83 1.25 -0.57 1.41 2.04 -1.49 -0.45 117.51 120.54 2jka h ILE 617 Ca 0.15 -1.06 -0.10 0.00 1.00 0.00 0.00 64.86 64.85 2jka h ILE 617 Cb 0.55 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 2jka h ILE 617 CO 0.03 0.37 -0.03 0.11 0.00 0.00 0.00 178.15 178.63 2jka h LYS 618 N 0.69 1.02 0.07 2.37 1.57 -1.03 -3.25 116.57 118.00 2jka h LYS 618 Ca 0.13 -0.34 -0.24 0.00 -1.87 0.00 0.00 60.65 58.33 2jka h LYS 618 Cb 0.50 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 2jka h LYS 618 CO 0.03 1.02 -1.08 -0.44 -0.57 0.00 0.00 179.45 178.41 2jka h ASP 619 N 0.91 0.38 -3.84 0.86 3.32 -0.56 -3.47 116.42 114.01 2jka h ASP 619 Ca 0.16 -0.36 -0.53 0.00 0.02 0.00 0.00 57.03 56.31 2jka h ASP 619 Cb 0.58 -0.12 0.08 0.00 0.22 0.00 0.00 39.33 40.09 2jka h ASP 619 CO 0.03 1.23 0.72 0.54 -1.72 0.00 0.00 179.24 180.04 2jka s VAL 620 N -2.91 2.41 0.92 -1.35 0.11 -0.22 -5.00 120.40 114.37 2jka s VAL 620 Ca -0.04 0.41 -0.14 0.00 -2.93 0.00 0.00 61.98 59.28 2jka s VAL 620 Cb 0.08 -3.26 0.15 0.00 -1.53 0.00 0.00 36.38 31.83 2jka s VAL 620 CO 0.86 0.09 1.22 0.00 -3.33 0.00 0.00 175.10 173.95 2jka s ALA 621 N -0.99 2.18 0.00 1.54 0.00 -1.26 -5.01 121.76 118.21 2jka s ALA 621 Ca 0.52 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2jka s ALA 621 Cb -0.43 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2jka s ALA 621 CO 0.56 -2.23 0.06 1.28 0.00 0.00 0.00 175.76 175.44 2jka n LEU 622 N -3.68 0.13 -3.78 0.00 4.77 -1.26 -5.00 117.00 108.18 2jka n LEU 622 Ca 0.11 -0.49 -0.13 0.00 -0.03 0.00 0.00 56.01 55.47 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 0.52 0.03 -0.04 -0.62 -1.33 0.00 0.00 177.39 175.95 2jka s ASP 623 N -0.72 -0.24 0.01 -1.43 2.15 -1.26 -4.14 116.67 111.05 2jka s ASP 623 Ca 0.00 0.36 0.02 0.00 0.43 0.00 0.00 52.55 53.36 2jka s ASP 623 Cb 0.00 0.48 -0.01 0.00 -0.30 0.00 0.00 42.92 43.09 2jka s ASP 623 CO 0.00 -0.23 -0.06 0.26 -0.17 0.00 0.00 175.17 174.96 2jka s TRP 624 N -0.44 0.57 -0.11 -5.34 0.52 -1.09 -1.42 118.94 111.64 2jka s TRP 624 Ca -0.06 -0.19 0.16 0.00 0.02 0.00 0.00 56.10 56.03 2jka s TRP 624 Cb -0.04 -0.36 -0.13 0.00 -1.15 0.00 0.00 33.47 31.80 2jka s TRP 624 CO 0.02 -0.02 0.89 -0.44 0.02 0.00 0.00 176.95 177.41 2jka h ASP 625 N 5.63 0.00 -4.92 2.95 3.32 -1.31 -3.23 116.42 118.86 2jka h ASP 625 Ca -0.30 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.64 2jka h ASP 625 Cb 1.19 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.54 2jka h ASP 625 CO 0.48 0.64 -0.21 -1.61 -1.72 0.00 0.00 179.24 176.82 2jka s GLU 626 N -2.88 0.71 -0.02 3.56 2.02 -1.25 -1.02 118.70 119.82 2jka s GLU 626 Ca -0.02 -0.09 0.03 0.00 0.02 0.00 0.00 54.97 54.91 2jka s GLU 626 Cb 0.08 0.32 -0.00 0.00 0.10 0.00 0.00 34.13 34.63 2jka s GLU 626 CO 0.81 -0.20 -0.09 0.99 0.02 0.00 0.00 175.26 176.79 2jka s THR 627 N -1.22 0.76 -0.22 3.63 2.01 -1.12 -1.23 115.64 118.24 2jka s THR 627 Ca -0.12 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.51 2jka s THR 627 Cb -0.04 -0.66 0.03 0.00 0.01 0.00 0.00 72.50 71.84 2jka s THR 627 CO 0.05 0.23 -0.14 0.21 -0.69 0.00 0.00 174.62 174.28 2jka s ASN 628 N 0.00 3.84 -0.54 3.53 3.84 0.11 -5.01 114.94 120.71 2jka s ASN 628 Ca 0.00 -0.92 -0.24 0.00 0.21 0.00 0.00 52.86 51.91 2jka s ASN 628 Cb -0.06 -1.55 0.04 0.00 -0.55 0.00 0.00 41.25 39.13 2jka s ASN 628 CO 0.00 -0.09 0.91 -0.31 -2.79 0.00 0.00 177.10 174.82 2jka s TYR 629 N 1.25 2.82 -0.16 0.43 2.02 -1.26 -1.17 117.35 121.28 2jka s TYR 629 Ca -0.00 -0.05 -0.22 0.00 -0.37 0.00 0.00 57.07 56.43 2jka s TYR 629 Cb -0.16 -4.01 -0.24 0.00 -0.40 0.00 0.00 41.96 37.15 2jka s TYR 629 CO -0.08 -1.31 0.49 -0.07 -1.57 0.00 0.00 175.55 173.01 2jka h LEU 630 N 10.83 0.10 -7.88 -1.29 3.38 -1.32 -3.47 115.31 115.66 2jka h LEU 630 Ca -0.26 -0.76 -0.25 0.00 0.09 0.00 0.00 57.88 56.70 2jka h LEU 630 Cb 1.08 -0.03 -0.26 0.00 0.09 0.00 0.00 40.66 41.53 2jka h LEU 630 CO 1.07 1.37 -0.73 -1.61 0.09 0.00 0.00 178.44 178.63 2jka s GLU 631 N -2.35 0.24 -0.29 1.13 2.02 -0.91 -4.99 118.70 113.55 2jka s GLU 631 Ca -0.23 -0.27 -0.13 0.00 0.02 0.00 0.00 54.97 54.36 2jka s GLU 631 Cb 0.03 -0.11 0.12 0.00 0.10 0.00 0.00 34.13 34.27 2jka s GLU 631 CO 0.67 0.02 0.72 0.00 0.02 0.00 0.00 175.26 176.69 2jka s ALA 632 N -0.52 -2.09 -0.13 5.21 0.00 -1.26 -0.01 121.76 122.96 2jka s ALA 632 Ca -0.04 2.33 -0.04 0.00 0.00 0.00 0.00 51.96 54.21 2jka s ALA 632 Cb -0.04 -1.71 0.06 0.00 0.00 0.00 0.00 23.12 21.43 2jka s ALA 632 CO -0.00 -0.75 0.16 -2.00 0.00 0.00 0.00 175.76 173.16 2jka s GLU 633 N 2.42 0.07 0.22 0.00 2.56 0.45 -4.41 118.70 120.02 2jka s GLU 633 Ca -0.07 0.34 -0.32 0.00 0.00 0.00 0.00 54.97 54.92 2jka s GLU 633 Cb -0.09 -0.81 -0.14 0.00 2.00 0.00 0.00 34.13 35.09 2jka s GLU 633 CO -0.19 -0.46 1.40 -0.35 -0.56 0.00 0.00 175.26 175.10 2jka n PRO 634 N 5.31 1.93 0.00 4.30 -0.04 -1.26 -1.26 135.00 143.98 2jka n PRO 634 Ca -0.05 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 2jka n PRO 634 Cb 0.50 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 2jka n PRO 634 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jka n GLY 635 N 2.33 2.61 1.03 0.55 0.00 -0.90 -4.80 105.19 106.01 2jka n GLY 635 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.52 1.61 1.02 -0.39 -4.56 120.64 112.80 2jka n GLU 636 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 2jka n GLU 636 Cb 0.00 -0.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.87 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 -0.59 -0.02 -0.32 -0.85 -0.88 -0.27 117.35 112.42 2jka s TYR 637 Ca 0.00 0.97 0.00 0.00 -0.52 0.00 0.00 57.07 57.52 2jka s TYR 637 Cb 0.00 0.43 0.03 0.00 0.38 0.00 0.00 41.96 42.80 2jka s TYR 637 CO 0.00 -0.57 0.02 0.42 -1.52 0.00 0.00 175.55 173.90 2jka s ILE 638 N -1.38 0.01 -0.06 -3.49 1.01 -0.45 -0.41 121.20 116.42 2jka s ILE 638 Ca -0.08 0.17 -0.00 0.00 0.00 0.00 0.00 60.65 60.73 2jka s ILE 638 Cb -0.00 -0.13 0.02 0.00 0.01 0.00 0.00 42.46 42.36 2jka s ILE 638 CO 0.07 0.10 -0.03 0.42 0.00 0.00 0.00 174.94 175.50 2jka s THR 639 N 0.99 0.52 -0.00 2.92 -4.23 0.98 -0.74 115.64 116.09 2jka s THR 639 Ca -0.09 -0.03 0.02 0.00 -1.18 0.00 0.00 61.69 60.41 2jka s THR 639 Cb -0.12 -0.61 -0.01 0.00 1.34 0.00 0.00 72.50 73.10 2jka s THR 639 CO -0.02 0.26 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.61 2jka s ILE 640 N 1.49 0.55 -0.06 2.99 1.01 -0.08 -0.77 121.20 126.33 2jka s ILE 640 Ca -0.02 -0.35 0.06 0.00 0.00 0.00 0.00 60.65 60.34 2jka s ILE 640 Cb -0.13 -0.47 -0.01 0.00 0.01 0.00 0.00 42.46 41.86 2jka s ILE 640 CO -0.03 0.12 -0.25 0.00 0.00 0.00 0.00 174.94 174.78 2jka s ALA 641 N -0.25 2.13 0.02 9.38 0.00 -0.32 -0.83 121.76 131.90 2jka s ALA 641 Ca 0.02 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 50.98 2jka s ALA 641 Cb -0.03 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 2jka s ALA 641 CO -0.00 0.40 -0.09 1.03 0.00 0.00 0.00 175.76 177.10 2jka s ARG 642 N -0.12 0.66 -0.26 0.00 0.52 -0.18 0.06 118.95 119.63 2jka s ARG 642 Ca -0.05 -0.52 -0.14 0.00 -0.52 0.00 0.00 55.73 54.50 2jka s ARG 642 Cb -0.14 -0.60 -0.04 0.00 0.52 0.00 0.00 34.95 34.69 2jka s ARG 642 CO 0.04 0.15 0.33 0.21 0.02 0.00 0.00 175.30 176.05 2jka s LYS 643 N -0.80 4.03 0.29 3.54 2.20 -0.37 -0.59 119.74 128.04 2jka s LYS 643 Ca -0.01 -0.02 -0.29 0.00 -0.36 0.00 0.00 55.97 55.29 2jka s LYS 643 Cb -0.06 -3.63 -0.10 0.00 -1.51 0.00 0.00 37.83 32.53 2jka s LYS 643 CO 0.00 -0.20 1.43 0.00 -0.36 0.00 0.00 175.35 176.23 2jka s ALA 644 N 1.82 3.60 0.22 3.13 0.00 0.10 -1.04 121.76 129.60 2jka s ALA 644 Ca 0.14 1.38 -0.32 0.00 0.00 0.00 0.00 51.96 53.15 2jka s ALA 644 Cb -0.15 -3.56 -0.13 0.00 0.00 0.00 0.00 23.12 19.28 2jka s ALA 644 CO 0.09 -0.79 1.50 1.17 0.00 0.00 0.00 175.76 177.73 2jka n LYS 645 N 1.71 2.20 -1.55 0.00 4.81 -0.51 -1.87 118.16 122.94 2jka n LYS 645 Ca 0.05 0.79 -0.13 0.00 -0.87 0.00 0.00 58.31 58.14 2jka n LYS 645 Cb 0.40 -2.51 -0.05 0.00 0.02 0.00 0.00 35.03 32.90 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 2.65 -4.48 -4.12 3.14 8.00 -1.26 -4.94 116.55 115.53 2jka n ASP 646 Ca 0.13 0.26 -0.14 0.00 0.71 0.00 0.00 54.79 55.75 2jka n ASP 646 Cb 0.31 -3.24 -0.10 0.00 -0.02 0.00 0.00 41.12 38.08 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 -2.52 0.11 -0.41 -3.53 -4.23 -0.78 -5.04 115.64 99.24 2jka s THR 647 Ca 0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 2jka s THR 647 Cb 0.00 -2.52 0.48 0.00 1.34 0.00 0.00 72.50 71.80 2jka s THR 647 CO 0.00 0.00 1.55 -0.67 -0.54 0.00 0.00 174.62 174.96 2jka n ASP 648 N -0.47 4.94 -4.86 3.99 -0.08 -1.26 -4.67 116.55 114.14 2jka n ASP 648 Ca 0.02 -3.77 -0.36 0.00 -1.51 0.00 0.00 54.79 49.17 2jka n ASP 648 Cb 0.66 -0.63 -0.06 0.00 2.34 0.00 0.00 41.12 43.43 2jka n ASP 648 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2jka s ASP 649 N -2.69 6.60 0.14 1.67 1.01 -1.26 -4.05 116.67 118.09 2jka s ASP 649 Ca 0.53 0.72 0.10 0.00 0.71 0.00 0.00 52.55 54.62 2jka s ASP 649 Cb 0.44 -2.15 -0.04 0.00 1.01 0.00 0.00 42.92 42.18 2jka s ASP 649 CO 0.01 0.29 -0.25 0.26 0.21 0.00 0.00 175.17 175.70 2jka s TRP 650 N -1.20 2.19 -0.02 4.23 0.52 -0.32 -0.73 118.94 123.60 2jka s TRP 650 Ca 0.25 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 56.03 2jka s TRP 650 Cb -0.14 -1.15 -0.01 0.00 -1.15 0.00 0.00 33.47 31.02 2jka s TRP 650 CO 0.13 0.36 -0.15 0.71 0.02 0.00 0.00 176.95 178.03 2jka s TYR 651 N -1.31 1.41 -0.03 -1.98 2.02 0.24 -0.66 117.35 117.04 2jka s TYR 651 Ca 0.15 -0.33 0.05 0.00 -0.37 0.00 0.00 57.07 56.57 2jka s TYR 651 Cb -0.09 -0.93 -0.01 0.00 -0.40 0.00 0.00 41.96 40.53 2jka s TYR 651 CO 0.07 -0.08 -0.18 0.08 -1.57 0.00 0.00 175.55 173.87 2jka s VAL 652 N -0.14 1.44 0.05 0.71 1.01 0.08 -1.01 120.40 122.54 2jka s VAL 652 Ca 0.01 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2jka s VAL 652 Cb -0.08 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 2jka s VAL 652 CO 0.00 0.41 -0.09 -0.83 0.00 0.00 0.00 175.10 174.60 2jka s GLY 653 N -0.12 0.56 -0.04 4.51 0.00 -0.01 -0.69 107.32 111.52 2jka s GLY 653 Ca -0.00 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 43.94 2jka s GLY 653 CO 0.01 -0.84 -0.06 0.00 0.00 0.00 0.00 173.10 172.21 2jka s THR 655 N 0.74 1.99 0.18 0.00 -1.32 0.08 -1.86 115.64 115.45 2jka s THR 655 Ca -0.11 -1.03 0.07 0.00 -1.21 0.00 0.00 61.69 59.42 2jka s THR 655 Cb -0.14 -1.69 -0.04 0.00 -1.51 0.00 0.00 72.50 69.12 2jka s THR 655 CO 0.01 0.55 -0.15 0.00 -2.21 0.00 0.00 174.62 172.82 2jka s ALA 656 N -0.13 1.91 0.63 11.08 0.00 -0.44 -1.35 121.76 133.45 2jka s ALA 656 Ca -0.04 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.36 2jka s ALA 656 Cb -0.14 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.88 2jka s ALA 656 CO 0.04 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.31 2jka n GLY 657 N -0.07 1.15 0.36 0.00 0.00 0.63 -3.83 105.19 103.44 2jka n GLY 657 Ca -0.10 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.47 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 0.76 -0.45 1.61 3.07 -1.85 0.62 114.58 118.34 2jka h GLU 658 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2jka h GLU 658 Cb 0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 27.74 2jka h GLU 658 CO 0.00 0.50 0.00 0.09 -1.40 0.00 0.00 179.01 178.20 2jka n ASN 659 N -4.67 3.50 -0.35 1.42 3.02 -1.26 -4.60 115.26 112.32 2jka n ASN 659 Ca 0.21 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.78 2jka n ASN 659 Cb 0.52 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 2jka n ASN 659 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jka n GLY 660 N 1.44 -1.46 3.63 7.41 0.00 -1.01 -4.74 105.19 110.45 2jka n GLY 660 Ca 0.20 -1.23 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 -0.81 -0.24 1.61 2.46 -0.40 -4.57 115.29 113.33 2jka s HIS 661 Ca 0.00 1.83 -0.11 0.00 0.47 0.00 0.00 55.06 57.25 2jka s HIS 661 Cb 0.00 0.39 -0.05 0.00 -0.13 0.00 0.00 32.58 32.79 2jka s HIS 661 CO 0.00 -0.39 0.16 0.99 -2.47 0.00 0.00 174.74 173.03 2jka s THR 662 N 0.76 5.35 -0.11 0.89 2.01 -1.26 -0.22 115.64 123.06 2jka s THR 662 Ca -0.03 0.18 -0.02 0.00 0.31 0.00 0.00 61.69 62.13 2jka s THR 662 Cb -0.05 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 2jka s THR 662 CO -0.07 0.34 -0.03 -0.44 -0.69 0.00 0.00 174.62 173.73 2jka s SER 663 N 1.12 4.95 -0.74 3.53 0.01 0.73 -4.97 113.70 118.33 2jka s SER 663 Ca 0.08 -0.00 -0.03 0.00 1.31 0.00 0.00 55.95 57.30 2jka s SER 663 Cb -0.14 -1.55 0.19 0.00 0.21 0.00 0.00 66.02 64.73 2jka s SER 663 CO 0.05 0.28 0.59 -0.54 0.41 0.00 0.00 173.24 174.03 2jka s LYS 664 N -0.32 2.89 0.17 12.44 1.02 -1.26 -1.02 119.74 133.66 2jka s LYS 664 Ca 0.06 -2.82 -0.30 0.00 0.02 0.00 0.00 55.97 52.93 2jka s LYS 664 Cb -0.12 -3.85 -0.07 0.00 -0.52 0.00 0.00 37.83 33.26 2jka s LYS 664 CO 0.02 -1.22 0.94 -0.51 -0.92 0.00 0.00 175.35 173.67 2jka s LEU 665 N -0.56 4.57 -0.15 3.17 1.43 0.52 -4.92 118.68 122.73 2jka s LEU 665 Ca 0.21 1.85 0.01 0.00 -1.03 0.00 0.00 54.13 55.17 2jka s LEU 665 Cb -0.15 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.51 2jka s LEU 665 CO -0.07 0.04 -0.17 -0.69 0.23 0.00 0.00 176.35 175.69 2jka s VAL 666 N -0.55 1.76 -0.47 -1.59 1.01 -1.26 -1.49 120.40 117.81 2jka s VAL 666 Ca 0.44 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 2jka s VAL 666 Cb -0.24 -1.62 0.32 0.00 0.00 0.00 0.00 36.38 34.84 2jka s VAL 666 CO 0.31 0.49 2.02 0.49 0.00 0.00 0.00 175.10 178.41 2jka n PHE 667 N 4.62 2.28 1.78 5.22 3.72 -0.76 -4.53 117.46 129.78 2jka n PHE 667 Ca -0.19 -2.42 0.15 0.00 -0.05 0.00 0.00 57.45 54.95 2jka n PHE 667 Cb 0.50 -1.17 0.86 0.00 -0.94 0.00 0.00 39.48 38.74 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 -0.21 0.00 0.16 4.37 5.75 -1.23 -2.39 116.55 123.00 2jka n ASP 668 Ca 0.44 -0.78 0.13 0.00 -0.01 0.00 0.00 54.79 54.57 2jka n ASP 668 Cb 0.63 -0.06 0.32 0.00 -1.03 0.00 0.00 41.12 40.98 2jka n ASP 668 CO 0.00 0.00 0.00 2.19 -0.11 0.00 0.00 177.20 179.28 2jka h PHE 669 N 0.00 0.00 -4.10 2.11 -5.15 -1.87 -3.46 116.94 104.47 2jka h PHE 669 Ca 0.00 0.00 -0.49 0.00 -0.20 0.00 0.00 57.97 57.28 2jka h PHE 669 Cb 0.05 0.00 0.15 0.00 0.22 0.00 0.00 35.95 36.37 2jka h PHE 669 CO 0.00 0.00 0.25 -0.51 -2.00 0.00 0.00 178.31 176.05 2jka s LEU 670 N -5.23 2.39 -0.08 2.10 1.43 -1.00 -4.98 118.68 113.31 2jka s LEU 670 Ca 0.09 1.61 -0.27 0.00 -1.03 0.00 0.00 54.13 54.53 2jka s LEU 670 Cb 0.09 -4.06 -0.03 0.00 0.03 0.00 0.00 46.19 42.23 2jka s LEU 670 CO 0.62 -2.63 0.86 -0.89 0.23 0.00 0.00 176.35 174.54 2jka s THR 671 N -2.88 4.91 0.30 5.49 2.01 -1.26 -4.68 115.64 119.53 2jka s THR 671 Ca 0.63 1.77 -0.29 0.00 0.31 0.00 0.00 61.69 64.11 2jka s THR 671 Cb -0.19 -4.19 -0.13 0.00 0.01 0.00 0.00 72.50 68.01 2jka s THR 671 CO 0.57 0.13 1.33 -2.65 -0.69 0.00 0.00 174.62 173.31 2jka n PRO 672 N 4.34 2.07 0.00 4.92 -0.02 -1.26 -2.31 135.00 142.73 2jka n PRO 672 Ca 0.04 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2jka n PRO 672 Cb 0.50 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 1.35 2.05 3.92 -1.23 0.00 -1.26 -5.02 105.19 105.00 2jka n GLY 673 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.35 3.56 0.14 1.61 1.02 -0.98 -5.11 119.74 119.64 2jka s LYS 674 Ca 0.00 -0.22 0.08 0.00 0.02 0.00 0.00 55.97 55.85 2jka s LYS 674 Cb 0.00 -2.80 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 2jka s LYS 674 CO 0.00 0.38 -0.10 -0.65 -0.92 0.00 0.00 175.35 174.05 2jka s GLN 675 N -3.23 2.07 0.01 1.68 -0.21 -1.26 -4.61 119.66 114.12 2jka s GLN 675 Ca 0.40 -1.16 0.02 0.00 0.02 0.00 0.00 55.36 54.64 2jka s GLN 675 Cb -0.11 -2.22 -0.01 0.00 1.00 0.00 0.00 33.01 31.67 2jka s GLN 675 CO 0.28 0.47 -0.06 0.71 -2.12 0.00 0.00 175.29 174.57 2jka s TYR 676 N -1.45 0.53 -0.43 0.91 2.02 -0.72 -0.50 117.35 117.71 2jka s TYR 676 Ca 0.23 -0.24 -0.21 0.00 -0.37 0.00 0.00 57.07 56.47 2jka s TYR 676 Cb -0.10 -0.33 0.02 0.00 -0.40 0.00 0.00 41.96 41.15 2jka s TYR 676 CO 0.14 -0.04 0.69 0.42 -1.57 0.00 0.00 175.55 175.19 2jka s ILE 677 N -0.60 4.78 -0.15 2.71 1.01 0.14 -1.18 121.20 127.92 2jka s ILE 677 Ca -0.03 0.30 -0.06 0.00 0.00 0.00 0.00 60.65 60.86 2jka s ILE 677 Cb -0.05 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 2jka s ILE 677 CO 0.00 -0.59 0.06 0.00 0.00 0.00 0.00 174.94 174.41 2jka s ALA 678 N 2.96 3.48 -0.16 9.38 0.00 0.23 -1.52 121.76 136.12 2jka s ALA 678 Ca 0.25 -0.74 -0.00 0.00 0.00 0.00 0.00 51.96 51.48 2jka s ALA 678 Cb -0.13 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.16 2jka s ALA 678 CO 0.19 0.37 -0.15 0.99 0.00 0.00 0.00 175.76 177.17 2jka s THR 679 N -0.23 2.65 -0.27 0.00 2.01 0.34 -1.26 115.64 118.88 2jka s THR 679 Ca 0.08 -0.77 -0.09 0.00 0.31 0.00 0.00 61.69 61.22 2jka s THR 679 Cb -0.12 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 2jka s THR 679 CO 0.01 0.51 0.14 -0.69 -0.69 0.00 0.00 174.62 173.90 2jka s VAL 680 N 0.94 4.83 -0.33 3.82 1.01 0.19 -1.58 120.40 129.28 2jka s VAL 680 Ca -0.03 -0.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 2jka s VAL 680 Cb -0.15 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 32.95 2jka s VAL 680 CO -0.02 0.27 0.12 -0.31 0.00 0.00 0.00 175.10 175.15 2jka s TYR 681 N 1.69 3.20 0.10 5.22 2.02 0.31 -1.07 117.35 128.83 2jka s TYR 681 Ca 0.07 -1.09 0.03 0.00 -0.37 0.00 0.00 57.07 55.70 2jka s TYR 681 Cb -0.16 -2.31 -0.04 0.00 -0.40 0.00 0.00 41.96 39.06 2jka s TYR 681 CO 0.07 -0.63 -0.08 0.00 -1.57 0.00 0.00 175.55 173.34 2jka s ALA 682 N 1.49 1.06 0.41 3.71 0.00 -0.19 -0.94 121.76 127.30 2jka s ALA 682 Ca 0.01 -1.31 -0.26 0.00 0.00 0.00 0.00 51.96 50.40 2jka s ALA 682 Cb -0.18 0.11 -0.10 0.00 0.00 0.00 0.00 23.12 22.95 2jka s ALA 682 CO 0.04 -0.16 1.41 -0.25 0.00 0.00 0.00 175.76 176.80 2jka n ASP 683 N 0.14 3.30 -4.73 0.00 8.00 -1.23 0.16 116.55 122.18 2jka n ASP 683 Ca -0.13 1.16 -0.30 0.00 0.71 0.00 0.00 54.79 56.23 2jka n ASP 683 Cb 0.60 -1.58 0.13 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 -1.16 1.69 0.29 2.24 0.00 -0.64 -4.58 121.76 119.60 2jka s ALA 684 Ca 0.58 0.02 0.18 0.00 0.00 0.00 0.00 51.96 52.74 2jka s ALA 684 Cb -0.48 -3.21 0.81 0.00 0.00 0.00 0.00 23.12 20.23 2jka s ALA 684 CO 0.60 -2.24 1.82 1.57 0.00 0.00 0.00 175.76 177.51 2jka h LYS 685 N -1.47 0.00 -0.52 0.00 2.10 -1.95 -0.64 116.57 114.09 2jka h LYS 685 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2jka h LYS 685 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2jka h LYS 685 CO 0.54 0.35 0.00 -0.40 -2.00 0.00 0.00 179.45 177.93 2jka n ASP 686 N -3.76 4.76 -4.73 7.07 5.75 -1.26 -5.00 116.55 119.38 2jka n ASP 686 Ca -0.01 -2.68 -0.35 0.00 -0.01 0.00 0.00 54.79 51.73 2jka n ASP 686 Cb 0.43 -0.58 0.07 0.00 -1.03 0.00 0.00 41.12 40.02 2jka n ASP 686 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jka s ALA 687 N -2.27 2.27 -0.28 2.12 0.00 -0.25 -4.74 121.76 118.61 2jka s ALA 687 Ca 0.48 0.97 -0.24 0.00 0.00 0.00 0.00 51.96 53.17 2jka s ALA 687 Cb 0.34 -3.48 0.09 0.00 0.00 0.00 0.00 23.12 20.07 2jka s ALA 687 CO 0.18 -1.66 0.81 0.34 0.00 0.00 0.00 175.76 175.44 2jka s ASP 688 N -1.83 -0.68 0.32 0.00 2.15 0.34 -4.58 116.67 112.38 2jka s ASP 688 Ca 0.76 1.27 0.01 0.00 0.43 0.00 0.00 52.55 55.03 2jka s ASP 688 Cb -0.31 1.29 0.56 0.00 -0.30 0.00 0.00 42.92 44.16 2jka s ASP 688 CO 0.41 -0.22 1.96 4.11 -0.17 0.00 0.00 175.17 181.27 2jka h TRP 689 N 5.06 0.95 0.02 -5.34 5.08 -1.60 -0.10 115.95 120.02 2jka h TRP 689 Ca -0.29 0.02 -0.30 0.00 1.08 0.00 0.00 58.89 59.41 2jka h TRP 689 Cb 1.17 -0.32 -0.04 0.00 -3.00 0.00 0.00 29.16 26.98 2jka h TRP 689 CO 0.32 0.55 -1.62 1.17 -1.28 0.00 0.00 178.44 177.58 2jka n LYS 690 N -4.45 0.61 0.04 0.12 4.81 -1.26 -4.24 118.16 113.78 2jka n LYS 690 Ca 0.10 0.46 0.07 0.00 -0.87 0.00 0.00 58.31 58.07 2jka n LYS 690 Cb 0.11 -1.70 -0.08 0.00 0.02 0.00 0.00 35.03 33.39 2jka n LYS 690 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2jka n GLU 691 N -4.20 0.63 -2.86 1.64 -0.58 -1.24 -4.70 120.64 109.33 2jka n GLU 691 Ca -0.36 0.05 -0.12 0.00 -0.42 0.00 0.00 57.16 56.31 2jka n GLU 691 Cb 0.79 -1.71 0.03 0.00 -0.57 0.00 0.00 31.44 29.97 2jka n GLU 691 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2jka n ASN 692 N -2.62 -2.03 0.18 1.62 5.15 -0.54 -4.93 115.26 112.10 2jka n ASN 692 Ca -0.06 -3.21 0.11 0.00 -0.60 0.00 0.00 54.58 50.82 2jka n ASN 692 Cb 0.67 1.21 0.11 0.00 -0.53 0.00 0.00 39.78 41.25 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 3.85 0.00 -0.45 1.20 0.13 -1.24 0.98 132.00 136.47 2jka h PRO 693 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2jka h PRO 693 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2jka h PRO 693 CO 0.34 0.04 0.00 1.04 -0.23 0.00 0.00 178.00 179.19 2jka n GLN 694 N -3.00 2.20 -2.63 0.86 6.02 -1.26 -0.73 117.38 118.84 2jka n GLN 694 Ca 0.03 -1.85 -0.42 0.00 -0.01 0.00 0.00 57.00 54.75 2jka n GLN 694 Cb 0.56 -1.43 -0.03 0.00 1.02 0.00 0.00 30.24 30.36 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 -1.40 2.92 0.12 -1.58 0.00 -1.24 -4.93 121.76 115.66 2jka s ALA 695 Ca 0.36 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 51.11 2jka s ALA 695 Cb 0.19 -4.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 2jka s ALA 695 CO 0.26 -2.92 -0.08 1.52 0.00 0.00 0.00 175.76 174.54 2jka s TYR 696 N 5.07 1.04 0.10 0.00 -0.85 -1.26 -1.62 117.35 119.82 2jka s TYR 696 Ca 0.35 -0.83 0.09 0.00 -0.52 0.00 0.00 57.07 56.16 2jka s TYR 696 Cb -0.09 -0.57 -0.03 0.00 0.38 0.00 0.00 41.96 41.65 2jka s TYR 696 CO 0.18 -0.05 -0.22 0.95 -1.52 0.00 0.00 175.55 174.89 2jka s THR 697 N -3.41 1.83 -0.10 -3.49 -4.23 0.12 -4.70 115.64 101.67 2jka s THR 697 Ca 0.13 -1.53 0.01 0.00 -1.18 0.00 0.00 61.69 59.12 2jka s THR 697 Cb 0.04 -1.64 0.02 0.00 1.34 0.00 0.00 72.50 72.25 2jka s THR 697 CO -0.02 0.03 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.33 2jka s ILE 698 N -1.07 1.30 -0.06 2.99 1.01 -1.26 -1.02 121.20 123.08 2jka s ILE 698 Ca 0.08 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.25 2jka s ILE 698 Cb -0.10 -1.22 0.01 0.00 0.01 0.00 0.00 42.46 41.16 2jka s ILE 698 CO 0.04 0.40 -0.16 -0.54 0.00 0.00 0.00 174.94 174.69 2jka s LYS 699 N 1.15 1.97 -0.11 2.79 1.02 -0.23 -4.96 119.74 121.39 2jka s LYS 699 Ca -0.04 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 55.42 2jka s LYS 699 Cb -0.14 -1.61 -0.00 0.00 -0.52 0.00 0.00 37.83 35.55 2jka s LYS 699 CO -0.03 0.12 -0.22 0.21 -0.92 0.00 0.00 175.35 174.51 2jka s LYS 700 N 0.40 3.11 0.09 1.68 2.20 -1.26 -0.63 119.74 125.33 2jka s LYS 700 Ca -0.12 -0.84 -0.03 0.00 -0.36 0.00 0.00 55.97 54.62 2jka s LYS 700 Cb -0.15 -2.37 0.01 0.00 -1.51 0.00 0.00 37.83 33.82 2jka s LYS 700 CO 0.04 0.18 0.18 0.41 -0.36 0.00 0.00 175.35 175.80 2jka n GLY 701 N 3.53 1.81 3.77 5.54 0.00 -0.39 -5.01 105.19 114.44 2jka n GLY 701 Ca -0.19 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.78 5.06 0.13 -0.61 -1.09 -1.26 -0.60 121.20 120.05 2jka s ILE 702 Ca 0.04 0.05 0.08 0.00 -2.23 0.00 0.00 60.65 58.58 2jka s ILE 702 Cb -0.01 -3.22 -0.04 0.00 -1.58 0.00 0.00 42.46 37.61 2jka s ILE 702 CO 0.03 0.57 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.36 2jka s LEU 703 N -0.57 2.37 0.33 2.97 1.43 -0.33 -4.89 118.68 120.00 2jka s LEU 703 Ca 0.11 -0.78 0.05 0.00 -1.03 0.00 0.00 54.13 52.48 2jka s LEU 703 Cb -0.12 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.27 2jka s LEU 703 CO 0.02 -0.02 0.20 0.42 0.23 0.00 0.00 176.35 177.20 2jka s THR 704 N -1.69 0.22 -1.45 5.49 -4.23 -1.26 -1.75 115.64 110.96 2jka s THR 704 Ca 0.10 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.65 2jka s THR 704 Cb -0.07 -2.47 0.06 0.00 1.34 0.00 0.00 72.50 71.35 2jka s THR 704 CO 0.05 0.00 0.91 -0.46 -0.54 0.00 0.00 174.62 174.58 2jka n ASN 705 N -1.22 0.00 -0.50 3.99 6.94 -1.25 -0.94 115.26 122.27 2jka n ASN 705 Ca 0.02 0.23 0.11 0.00 -0.02 0.00 0.00 54.58 54.92 2jka n ASN 705 Cb 0.64 -0.27 0.02 0.00 -2.36 0.00 0.00 39.78 37.81 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 -1.27 1.22 -2.28 -3.83 4.76 -1.26 -3.50 118.16 111.99 2jka n LYS 706 Ca 0.02 -1.00 -0.34 0.00 -2.87 0.00 0.00 58.31 54.12 2jka n LYS 706 Cb 0.02 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 31.73 2jka n LYS 706 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2jka s SER 707 N -2.47 5.92 -0.00 4.39 0.01 -0.12 -4.91 113.70 116.52 2jka s SER 707 Ca 0.19 1.99 0.01 0.00 1.31 0.00 0.00 55.95 59.45 2jka s SER 707 Cb 0.18 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.85 2jka s SER 707 CO 0.56 -1.07 -0.03 -0.54 0.41 0.00 0.00 173.24 172.57 2jka s LYS 708 N -3.51 0.26 -0.03 12.44 1.02 -1.26 -1.84 119.74 126.83 2jka s LYS 708 Ca 0.68 -0.13 0.03 0.00 0.02 0.00 0.00 55.97 56.57 2jka s LYS 708 Cb -0.19 -0.24 -0.00 0.00 -0.52 0.00 0.00 37.83 36.88 2jka s LYS 708 CO 0.28 0.07 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.14 2jka s LEU 709 N -0.13 1.87 -0.28 3.17 1.43 -0.56 -4.98 118.68 119.20 2jka s LEU 709 Ca 0.01 -0.23 -0.13 0.00 -1.03 0.00 0.00 54.13 52.74 2jka s LEU 709 Cb -0.02 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.49 2jka s LEU 709 CO -0.00 0.11 0.28 0.21 0.23 0.00 0.00 176.35 177.18 2jka s ASN 710 N 0.04 6.13 0.07 2.29 3.84 -1.26 -0.36 114.94 125.71 2jka s ASN 710 Ca -0.01 0.09 0.04 0.00 0.21 0.00 0.00 52.86 53.19 2jka s ASN 710 Cb -0.08 -2.17 -0.03 0.00 -0.55 0.00 0.00 41.25 38.42 2jka s ASN 710 CO 0.01 -0.13 -0.12 -0.76 -2.79 0.00 0.00 177.10 173.31 2jka s LEU 711 N 1.91 2.31 -0.10 3.21 1.43 -0.19 -4.98 118.68 122.28 2jka s LEU 711 Ca 0.11 -0.66 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 2jka s LEU 711 Cb -0.16 -0.38 0.02 0.00 0.03 0.00 0.00 46.19 45.70 2jka s LEU 711 CO 0.11 -0.16 -0.13 -2.28 0.23 0.00 0.00 176.35 174.11 2jka s HIS 712 N -1.66 1.79 -0.15 0.29 5.65 -1.26 -0.19 115.29 119.76 2jka s HIS 712 Ca -0.01 -0.82 -0.21 0.00 0.25 0.00 0.00 55.06 54.27 2jka s HIS 712 Cb -0.08 -1.32 -0.03 0.00 -1.18 0.00 0.00 32.58 29.97 2jka s HIS 712 CO 0.01 -0.44 0.61 0.00 -0.65 0.00 0.00 174.74 174.28 2jka s ALA 713 N 1.02 3.48 1.26 1.58 0.00 0.70 -4.58 121.76 125.22 2jka s ALA 713 Ca -0.07 -0.16 -0.18 0.00 0.00 0.00 0.00 51.96 51.55 2jka s ALA 713 Cb -0.15 -2.90 0.31 0.00 0.00 0.00 0.00 23.12 20.38 2jka s ALA 713 CO -0.01 -0.34 1.01 0.00 0.00 0.00 0.00 175.76 176.42 2jka s ALA 714 N 1.39 -0.31 0.03 0.00 0.00 -1.26 -1.28 121.76 120.32 2jka s ALA 714 Ca 0.30 -0.56 -0.30 0.00 0.00 0.00 0.00 51.96 51.40 2jka s ALA 714 Cb -0.16 -3.06 -0.09 0.00 0.00 0.00 0.00 23.12 19.82 2jka s ALA 714 CO 0.12 -4.02 1.96 -0.80 0.00 0.00 0.00 175.76 173.02 2jka s ASN 715 N -3.07 6.44 -1.32 0.00 0.01 -1.26 -0.83 114.94 114.90 2jka s ASN 715 Ca 0.69 2.65 0.00 0.00 -0.71 0.00 0.00 52.86 55.48 2jka s ASN 715 Cb -0.18 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.95 2jka s ASN 715 CO 0.60 -1.07 0.00 0.61 -1.51 0.00 0.00 177.10 175.73 2jka n GLY 716 N 4.55 -0.14 0.00 0.66 0.00 0.18 -1.77 105.19 108.67 2jka n GLY 716 Ca 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.02 5.39 0.00 -0.02 0.00 -0.01 -1.57 105.19 107.95 2jka n GLY 717 Ca -0.18 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.15 3.39 -0.02 0.00 -1.26 -1.33 105.19 109.82 2jka n GLY 718 Ca 0.00 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.00 -0.34 0.02 1.61 -0.85 -0.78 -3.54 117.35 110.48 2jka s TYR 719 Ca 0.00 0.07 0.02 0.00 -0.52 0.00 0.00 57.07 56.64 2jka s TYR 719 Cb 0.00 0.41 -0.01 0.00 0.38 0.00 0.00 41.96 42.73 2jka s TYR 719 CO 0.00 -0.79 -0.08 0.00 -1.52 0.00 0.00 175.55 173.16 2jka s ALA 720 N -3.79 0.62 -0.03 9.51 0.00 -0.11 -0.82 121.76 127.14 2jka s ALA 720 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2jka s ALA 720 Cb 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.09 2jka s ALA 720 CO -0.11 0.08 0.01 0.42 0.00 0.00 0.00 175.76 176.15 2jka s ILE 721 N -0.75 0.14 -0.14 0.00 1.01 0.13 -0.53 121.20 121.06 2jka s ILE 721 Ca -0.03 0.11 -0.08 0.00 0.00 0.00 0.00 60.65 60.65 2jka s ILE 721 Cb -0.06 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.12 2jka s ILE 721 CO 0.00 0.14 0.13 -0.94 0.00 0.00 0.00 174.94 174.27 2jka s SER 722 N 1.04 6.27 -0.37 3.58 1.04 -0.62 -0.74 113.70 123.91 2jka s SER 722 Ca -0.10 0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.72 2jka s SER 722 Cb -0.13 -2.05 0.12 0.00 0.10 0.00 0.00 66.02 64.06 2jka s SER 722 CO -0.02 0.34 0.19 -0.63 0.98 0.00 0.00 173.24 174.09 2jka s ILE 723 N -0.59 0.85 -0.18 -1.02 1.01 0.17 -0.51 121.20 120.92 2jka s ILE 723 Ca 0.13 -1.92 -0.06 0.00 0.00 0.00 0.00 60.65 58.80 2jka s ILE 723 Cb -0.12 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 2jka s ILE 723 CO 0.02 -0.85 0.03 -0.54 0.00 0.00 0.00 174.94 173.60 2jka s LYS 724 N 0.98 3.84 0.21 2.79 1.02 -0.58 -1.17 119.74 126.83 2jka s LYS 724 Ca 0.15 -0.42 -0.31 0.00 0.02 0.00 0.00 55.97 55.42 2jka s LYS 724 Cb -0.22 -3.14 -0.10 0.00 -0.52 0.00 0.00 37.83 33.85 2jka s LYS 724 CO -0.08 0.19 1.54 -2.00 -0.92 0.00 0.00 175.35 174.08 2jka s GLU 725 N 0.56 4.21 0.00 1.68 2.12 -1.26 0.28 118.70 126.29 2jka s GLU 725 Ca 0.01 2.39 0.00 0.00 0.36 0.00 0.00 54.97 57.73 2jka s GLU 725 Cb -0.13 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.14 2jka s GLU 725 CO 0.02 -0.56 0.47 0.28 -0.54 0.00 0.00 175.26 174.92