#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jke s GLN 23 N 0.00 2.42 -0.05 3.69 -1.52 0.34 -4.97 119.66 119.58 2jke s GLN 23 Ca 0.00 -0.81 0.06 0.00 -1.95 0.00 0.00 55.36 52.67 2jke s GLN 23 Cb 0.00 -2.43 -0.01 0.00 -0.22 0.00 0.00 33.01 30.35 2jke s GLN 23 CO 0.00 0.58 -0.25 0.15 -0.25 0.00 0.00 175.29 175.52 2jke s LYS 24 N -1.57 2.40 -0.03 2.91 3.01 -1.26 -0.67 119.74 124.53 2jke s LYS 24 Ca 0.18 -0.89 0.05 0.00 -1.01 0.00 0.00 55.97 54.30 2jke s LYS 24 Cb -0.11 -2.09 -0.01 0.00 -1.01 0.00 0.00 37.83 34.62 2jke s LYS 24 CO 0.09 0.40 -0.17 -1.17 0.51 0.00 0.00 175.35 175.01 2jke s LEU 25 N -0.23 1.95 0.08 3.17 2.96 0.22 -4.99 118.68 121.84 2jke s LEU 25 Ca -0.01 -0.34 0.09 0.00 -0.22 0.00 0.00 54.13 53.65 2jke s LEU 25 Cb -0.13 -0.94 -0.03 0.00 0.50 0.00 0.00 46.19 45.59 2jke s LEU 25 CO 0.03 0.17 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.11 2jke s THR 26 N -0.12 1.88 0.90 3.68 2.01 -1.26 -0.46 115.64 122.27 2jke s THR 26 Ca -0.00 -1.46 -0.11 0.00 0.31 0.00 0.00 61.69 60.43 2jke s THR 26 Cb -0.10 -1.66 0.13 0.00 0.01 0.00 0.00 72.50 70.88 2jke s THR 26 CO 0.01 0.12 1.09 -0.94 -0.69 0.00 0.00 174.62 174.21 2jke s SER 27 N -1.61 3.45 0.38 3.53 1.04 -0.38 -4.67 113.70 115.44 2jke s SER 27 Ca 0.09 1.56 0.08 0.00 0.48 0.00 0.00 55.95 58.16 2jke s SER 27 Cb -0.10 -2.23 0.82 0.00 0.10 0.00 0.00 66.02 64.62 2jke s SER 27 CO 0.03 -2.66 1.95 -0.65 0.98 0.00 0.00 173.24 172.89 2jke h PRO 28 N -1.57 0.64 -0.39 4.02 0.11 -1.87 -1.64 132.00 131.31 2jke h PRO 28 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2jke h PRO 28 Cb 1.28 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2jke h PRO 28 CO 0.53 0.42 0.00 -0.40 -0.21 0.00 0.00 178.00 178.35 2jke n ASP 29 N -4.49 2.25 0.00 -2.05 5.68 -1.26 -4.92 116.55 111.75 2jke n ASP 29 Ca 0.11 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 2jke n ASP 29 Cb 0.30 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 2jke n ASP 29 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2jke n ASN 30 N 0.72 -1.00 0.14 -1.12 4.13 -0.62 -4.85 115.26 112.66 2jke n ASN 30 Ca 0.15 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.43 2jke n ASN 30 Cb 0.37 -1.79 0.11 0.00 -1.54 0.00 0.00 39.78 36.93 2jke n ASN 30 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 2jke h ASN 31 N 0.00 0.00 -3.96 6.41 2.35 -1.91 -3.45 115.58 115.02 2jke h ASN 31 Ca 0.00 0.00 -0.69 0.00 -0.55 0.00 0.00 56.30 55.06 2jke h ASN 31 Cb 0.13 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 38.28 2jke h ASN 31 CO 0.00 0.54 -0.77 -0.76 -1.65 0.00 0.00 177.43 174.79 2jke s LEU 32 N -6.74 2.75 -0.05 1.61 1.02 -1.26 -0.49 118.68 115.52 2jke s LEU 32 Ca 0.02 -0.27 0.01 0.00 0.02 0.00 0.00 54.13 53.91 2jke s LEU 32 Cb 0.09 -1.58 0.02 0.00 0.02 0.00 0.00 46.19 44.74 2jke s LEU 32 CO 0.74 0.30 -0.04 -0.69 0.02 0.00 0.00 176.35 176.68 2jke s VAL 33 N -0.84 0.53 -0.18 -1.59 1.01 -0.45 -1.25 120.40 117.63 2jke s VAL 33 Ca 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 2jke s VAL 33 Cb -0.11 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 2jke s VAL 33 CO 0.03 0.23 -0.05 -0.32 0.00 0.00 0.00 175.10 175.00 2jke s MET 34 N 1.10 3.52 -0.11 2.72 1.75 0.39 -0.85 119.30 127.82 2jke s MET 34 Ca -0.08 -0.58 -0.01 0.00 -1.25 0.00 0.00 55.69 53.77 2jke s MET 34 Cb -0.14 -2.93 -0.03 0.00 2.84 0.00 0.00 34.83 34.58 2jke s MET 34 CO -0.01 0.06 -0.07 0.95 -0.65 0.00 0.00 175.02 175.30 2jke s THR 35 N 0.82 3.66 0.01 10.11 -4.23 -0.56 -0.61 115.64 124.83 2jke s THR 35 Ca -0.01 -0.46 0.08 0.00 -1.18 0.00 0.00 61.69 60.12 2jke s THR 35 Cb -0.15 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.12 2jke s THR 35 CO 0.02 0.54 -0.26 0.12 -0.54 0.00 0.00 174.62 174.50 2jke s PHE 36 N -0.14 2.34 0.17 3.99 5.36 0.15 -1.36 117.98 128.49 2jke s PHE 36 Ca 0.02 -0.42 -0.18 0.00 -0.96 0.00 0.00 56.93 55.39 2jke s PHE 36 Cb -0.13 -1.46 0.04 0.00 -0.34 0.00 0.00 43.02 41.13 2jke s PHE 36 CO 0.03 0.04 0.50 1.14 -1.46 0.00 0.00 175.22 175.46 2jke s GLN 37 N -0.89 1.27 -0.14 10.12 -2.07 -0.47 -0.51 119.66 126.97 2jke s GLN 37 Ca 0.11 -0.76 -0.12 0.00 -1.82 0.00 0.00 55.36 52.77 2jke s GLN 37 Cb -0.10 0.51 -0.05 0.00 -1.09 0.00 0.00 33.01 32.29 2jke s GLN 37 CO 0.00 -0.53 0.27 0.08 -1.32 0.00 0.00 175.29 173.79 2jke s VAL 38 N -3.83 5.31 0.27 3.63 1.01 -1.26 -0.70 120.40 124.82 2jke s VAL 38 Ca 0.06 0.50 -0.04 0.00 0.00 0.00 0.00 61.98 62.50 2jke s VAL 38 Cb -0.00 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.85 2jke s VAL 38 CO -0.07 0.46 0.36 -0.90 0.00 0.00 0.00 175.10 174.95 2jke n ASP 39 N 3.07 0.10 0.24 3.32 5.68 -0.22 -4.85 116.55 123.88 2jke n ASP 39 Ca -0.14 -1.17 0.10 0.00 -0.50 0.00 0.00 54.79 53.08 2jke n ASP 39 Cb 0.52 -0.27 0.61 0.00 -1.14 0.00 0.00 41.12 40.85 2jke n ASP 39 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 2jke h SER 40 N -0.43 0.00 -0.62 -1.12 0.87 -1.99 -0.57 113.55 109.69 2jke h SER 40 Ca -0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2jke h SER 40 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2jke h SER 40 CO 0.09 0.18 0.00 2.29 -0.53 0.00 0.00 176.83 178.86 2jke n LYS 41 N -3.68 2.49 -1.47 2.24 2.85 -1.26 -4.93 118.16 114.40 2jke n LYS 41 Ca -0.01 -2.24 -0.01 0.00 -1.05 0.00 0.00 58.31 55.00 2jke n LYS 41 Cb 0.30 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 33.18 2jke n LYS 41 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2jke n GLY 42 N 1.45 0.40 3.69 2.58 0.00 -0.22 -1.94 105.19 111.14 2jke n GLY 42 Ca 0.21 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 2jke n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jke s ALA 43 N -2.04 3.48 0.20 4.61 0.00 -1.26 -1.61 121.76 125.14 2jke s ALA 43 Ca 0.00 -0.17 -0.31 0.00 0.00 0.00 0.00 51.96 51.48 2jke s ALA 43 Cb 0.00 -2.88 -0.09 0.00 0.00 0.00 0.00 23.12 20.15 2jke s ALA 43 CO 0.00 -0.31 1.43 -2.14 0.00 0.00 0.00 175.76 174.74 2jke s PRO 44 N 1.34 4.29 0.00 0.00 0.02 -1.26 -1.06 135.00 138.33 2jke s PRO 44 Ca 0.30 2.23 0.02 0.00 0.02 0.00 0.00 61.00 63.57 2jke s PRO 44 Cb -0.16 -3.16 -0.01 0.00 0.02 0.00 0.00 34.50 31.20 2jke s PRO 44 CO 0.12 -0.43 -0.08 0.99 -0.33 0.00 0.00 177.00 177.27 2jke s THR 45 N 0.43 0.61 0.13 0.99 2.01 0.12 -1.15 115.64 118.79 2jke s THR 45 Ca 0.62 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 62.20 2jke s THR 45 Cb -0.40 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 2jke s THR 45 CO 0.38 0.10 -0.03 -0.72 -0.69 0.00 0.00 174.62 173.65 2jke s TYR 46 N -0.34 1.05 0.12 4.92 -0.85 -0.33 -1.37 117.35 120.55 2jke s TYR 46 Ca 0.01 -0.96 -0.11 0.00 -0.52 0.00 0.00 57.07 55.49 2jke s TYR 46 Cb -0.04 -0.60 0.01 0.00 0.38 0.00 0.00 41.96 41.71 2jke s TYR 46 CO -0.00 -0.18 0.28 -1.83 -1.52 0.00 0.00 175.55 172.30 2jke s GLU 47 N -3.87 1.01 -0.07 -3.49 -1.05 -0.47 -1.24 118.70 109.52 2jke s GLU 47 Ca 0.18 -0.96 -0.04 0.00 -0.15 0.00 0.00 54.97 54.00 2jke s GLU 47 Cb 0.06 0.39 0.03 0.00 -0.44 0.00 0.00 34.13 34.16 2jke s GLU 47 CO -0.01 -0.36 0.16 -1.17 0.95 0.00 0.00 175.26 174.83 2jke s LEU 48 N -2.88 0.97 0.18 1.83 2.96 -0.52 -1.50 118.68 119.72 2jke s LEU 48 Ca 0.08 0.32 0.10 0.00 -0.22 0.00 0.00 54.13 54.42 2jke s LEU 48 Cb 0.03 0.46 -0.04 0.00 0.50 0.00 0.00 46.19 47.14 2jke s LEU 48 CO -0.08 -0.11 -0.22 0.42 -1.32 0.00 0.00 176.35 175.04 2jke s THR 49 N 0.75 2.17 -0.09 3.68 -4.23 -0.03 -0.65 115.64 117.24 2jke s THR 49 Ca -0.06 -1.97 -0.01 0.00 -1.18 0.00 0.00 61.69 58.48 2jke s THR 49 Cb -0.07 -2.01 0.03 0.00 1.34 0.00 0.00 72.50 71.78 2jke s THR 49 CO -0.04 -0.16 -0.02 -0.47 -0.54 0.00 0.00 174.62 173.39 2jke s TYR 50 N -1.73 0.96 -1.46 3.99 5.04 0.45 -1.33 117.35 123.27 2jke s TYR 50 Ca 0.18 -0.39 -0.00 0.00 -2.44 0.00 0.00 57.07 54.42 2jke s TYR 50 Cb -0.07 -0.96 0.00 0.00 0.35 0.00 0.00 41.96 41.28 2jke s TYR 50 CO 0.09 -0.40 0.26 1.63 -1.34 0.00 0.00 175.55 175.78 2jke n LYS 51 N 5.07 -2.36 -1.27 4.97 5.02 0.36 -0.59 118.16 129.35 2jke n LYS 51 Ca -0.09 0.28 -0.09 0.00 -2.02 0.00 0.00 58.31 56.39 2jke n LYS 51 Cb 0.50 -4.15 -0.04 0.00 -0.02 0.00 0.00 35.03 31.32 2jke n LYS 51 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2jke n ASN 52 N -2.94 -5.30 -4.60 4.39 4.13 -1.26 -4.99 115.26 104.69 2jke n ASN 52 Ca -0.32 0.23 -0.34 0.00 1.68 0.00 0.00 54.58 55.83 2jke n ASN 52 Cb 0.69 -3.62 -0.11 0.00 -1.54 0.00 0.00 39.78 35.20 2jke n ASN 52 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2jke s LYS 53 N -2.63 3.16 0.10 3.52 1.02 0.24 -5.08 119.74 120.07 2jke s LYS 53 Ca 0.00 -0.48 -0.31 0.00 0.02 0.00 0.00 55.97 55.20 2jke s LYS 53 Cb 0.00 -2.78 -0.08 0.00 -0.52 0.00 0.00 37.83 34.45 2jke s LYS 53 CO 0.00 0.54 1.44 0.08 -0.92 0.00 0.00 175.35 176.49 2jke s VAL 54 N -0.44 3.24 -0.18 3.17 1.01 -1.26 -0.41 120.40 125.53 2jke s VAL 54 Ca 0.07 0.85 -0.09 0.00 0.00 0.00 0.00 61.98 62.81 2jke s VAL 54 Cb -0.12 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 2jke s VAL 54 CO 0.02 0.05 -0.23 0.52 0.00 0.00 0.00 175.10 175.46 2jke n VAL 55 N 4.13 0.97 -4.09 2.92 0.31 0.18 -4.77 118.33 117.98 2jke n VAL 55 Ca 0.12 -0.25 -0.33 0.00 -0.01 0.00 0.00 64.34 63.88 2jke n VAL 55 Cb 0.42 -1.74 -0.16 0.00 -0.91 0.00 0.00 33.84 31.46 2jke n VAL 55 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2jke s ILE 56 N -2.32 2.17 0.93 2.52 -1.09 -0.78 -4.32 121.20 118.30 2jke s ILE 56 Ca -0.25 -1.16 -0.12 0.00 -2.23 0.00 0.00 60.65 56.89 2jke s ILE 56 Cb 0.09 -2.04 0.15 0.00 -1.58 0.00 0.00 42.46 39.08 2jke s ILE 56 CO 0.31 0.33 1.09 -0.54 -1.23 0.00 0.00 174.94 174.90 2jke s LYS 57 N 1.23 0.96 -0.03 2.79 1.02 0.02 -1.43 119.74 124.30 2jke s LYS 57 Ca 0.00 0.86 -0.37 0.00 0.02 0.00 0.00 55.97 56.48 2jke s LYS 57 Cb -0.15 -1.77 -0.16 0.00 -0.52 0.00 0.00 37.83 35.23 2jke s LYS 57 CO -0.10 -2.46 1.53 -2.30 -0.92 0.00 0.00 175.35 171.10 2jke n PRO 58 N -4.04 1.34 -3.84 -1.68 -0.02 -1.26 -4.31 135.00 121.20 2jke n PRO 58 Ca 0.07 0.49 -0.13 0.00 -2.02 0.00 0.00 63.50 61.91 2jke n PRO 58 Cb 0.55 -2.17 -0.15 0.00 -0.02 0.00 0.00 33.50 31.71 2jke n PRO 58 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2jke s SER 59 N 1.72 0.02 0.42 2.55 0.01 -0.37 -4.79 113.70 113.26 2jke s SER 59 Ca 0.89 0.02 -0.03 0.00 1.31 0.00 0.00 55.95 58.14 2jke s SER 59 Cb -0.94 -0.01 -0.03 0.00 0.21 0.00 0.00 66.02 65.24 2jke s SER 59 CO 0.52 -0.04 0.68 0.42 0.41 0.00 0.00 173.24 175.23 2jke s THR 60 N 0.30 4.99 0.03 1.44 -4.23 -1.26 -1.18 115.64 115.74 2jke s THR 60 Ca -0.03 -0.09 0.05 0.00 -1.18 0.00 0.00 61.69 60.45 2jke s THR 60 Cb -0.04 -3.86 -0.02 0.00 1.34 0.00 0.00 72.50 69.92 2jke s THR 60 CO -0.01 -0.73 -0.14 -0.76 -0.54 0.00 0.00 174.62 172.44 2jke s LEU 61 N -4.56 2.15 0.00 4.79 1.43 -0.30 -1.47 118.68 120.72 2jke s LEU 61 Ca 0.44 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2jke s LEU 61 Cb -0.10 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.48 2jke s LEU 61 CO 0.41 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.66 2jke n GLY 62 N 2.02 0.88 3.07 -3.19 0.00 -1.21 -4.24 105.19 102.53 2jke n GLY 62 Ca -0.17 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.34 2jke n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jke s LEU 63 N 0.00 2.39 -0.14 0.99 1.02 -0.49 0.04 118.68 122.49 2jke s LEU 63 Ca 0.00 -0.79 -0.04 0.00 0.02 0.00 0.00 54.13 53.32 2jke s LEU 63 Cb 0.00 0.05 -0.03 0.00 0.02 0.00 0.00 46.19 46.23 2jke s LEU 63 CO 0.00 -0.42 -0.01 -0.70 0.02 0.00 0.00 176.35 175.23 2jke s GLU 64 N -2.84 3.57 0.13 1.70 2.12 0.21 -1.30 118.70 122.28 2jke s GLU 64 Ca -0.01 -0.47 0.02 0.00 0.36 0.00 0.00 54.97 54.88 2jke s GLU 64 Cb -0.01 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.42 2jke s GLU 64 CO -0.05 0.35 0.22 -0.51 -0.54 0.00 0.00 175.26 174.73 2jke s LEU 65 N 0.09 4.19 0.35 2.70 1.43 0.97 -0.44 118.68 127.96 2jke s LEU 65 Ca 0.01 0.12 -0.28 0.00 -1.03 0.00 0.00 54.13 52.94 2jke s LEU 65 Cb -0.13 -2.79 -0.10 0.00 0.03 0.00 0.00 46.19 43.20 2jke s LEU 65 CO 0.02 0.09 1.35 -0.75 0.23 0.00 0.00 176.35 177.29 2jke s LYS 66 N -2.98 4.28 0.35 1.70 2.20 0.51 -4.57 119.74 121.23 2jke s LYS 66 Ca 0.33 2.30 -0.28 0.00 -0.36 0.00 0.00 55.97 57.96 2jke s LYS 66 Cb -0.11 -3.04 -0.11 0.00 -1.51 0.00 0.00 37.83 33.06 2jke s LYS 66 CO 0.27 -0.28 1.40 0.21 -0.36 0.00 0.00 175.35 176.59 2jke s LYS 67 N -1.88 4.23 0.09 4.03 2.20 -1.26 -4.76 119.74 122.39 2jke s LYS 67 Ca 0.50 2.40 -0.17 0.00 -0.36 0.00 0.00 55.97 58.34 2jke s LYS 67 Cb -0.41 -3.02 -0.07 0.00 -1.51 0.00 0.00 37.83 32.82 2jke s LYS 67 CO 0.55 -0.37 1.49 0.93 -0.36 0.00 0.00 175.35 177.60 2jke h GLU 68 N 3.21 0.57 0.00 4.03 5.08 -1.97 -3.51 114.58 121.98 2jke h GLU 68 Ca -0.50 -0.22 -0.19 0.00 -1.00 0.00 0.00 59.36 57.45 2jke h GLU 68 Cb 1.23 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 2jke h GLU 68 CO 0.65 0.77 -1.51 -0.25 -1.00 0.00 0.00 179.01 177.67 2jke n ASP 87 N -4.48 1.63 0.28 1.42 10.43 -1.26 -5.22 116.55 119.35 2jke n ASP 87 Ca -0.03 0.28 0.15 0.00 2.57 0.00 0.00 54.79 57.76 2jke n ASP 87 Cb 0.32 -0.64 0.78 0.00 1.84 0.00 0.00 41.12 43.42 2jke n ASP 87 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 2jke h SER 88 N -0.78 0.00 0.65 -2.24 4.64 -1.98 -2.11 113.55 111.74 2jke h SER 88 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2jke h SER 88 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2jke h SER 88 CO -0.17 0.08 0.00 0.11 -0.87 0.00 0.00 176.83 175.98 2jke h LYS 89 N 0.00 0.00 0.00 4.77 1.57 -1.99 -2.35 116.57 118.57 2jke h LYS 89 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jke h LYS 89 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2jke h LYS 89 CO 0.01 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.68 2jke h THR 90 N 0.00 0.00 -3.10 -0.16 1.35 -1.64 -3.43 112.91 105.93 2jke h THR 90 Ca 0.00 -0.58 -0.61 0.00 -0.55 0.00 0.00 66.41 64.67 2jke h THR 90 Cb 0.33 1.53 -0.13 0.00 -1.73 0.00 0.00 68.15 68.15 2jke h THR 90 CO 0.00 0.00 0.55 0.21 -0.25 0.00 0.00 175.52 176.03 2jke s ASN 91 N -5.44 6.30 -0.32 5.36 3.84 -0.89 -0.02 114.94 123.77 2jke s ASN 91 Ca 0.04 -0.48 0.07 0.00 0.21 0.00 0.00 52.86 52.70 2jke s ASN 91 Cb 0.08 -2.43 0.46 0.00 -0.55 0.00 0.00 41.25 38.81 2jke s ASN 91 CO 0.55 -1.26 1.27 -0.11 -2.79 0.00 0.00 177.10 174.77 2jke n LEU 92 N 7.48 4.99 0.00 3.21 7.94 -0.42 -4.75 117.00 135.46 2jke n LEU 92 Ca 0.00 -4.62 0.00 0.00 -1.11 0.00 0.00 56.01 50.28 2jke n LEU 92 Cb 0.47 -0.42 0.00 0.00 0.53 0.00 0.00 43.42 44.00 2jke n LEU 92 CO 0.63 1.98 -0.28 0.00 -1.11 0.00 0.00 177.39 178.61 2jke n TYR 93 N -0.77 0.00 -3.76 1.96 0.18 -1.15 -1.39 117.16 112.23 2jke n TYR 93 Ca 0.44 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 60.17 2jke n TYR 93 Cb 0.92 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.87 2jke n TYR 93 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 2jke n ASP 94 N -0.91 -0.35 -0.46 9.48 5.68 -1.26 -4.29 116.55 124.44 2jke n ASP 94 Ca 0.00 -1.53 -0.06 0.00 -0.50 0.00 0.00 54.79 52.70 2jke n ASP 94 Cb 0.04 0.67 -0.03 0.00 -1.14 0.00 0.00 41.12 40.66 2jke n ASP 94 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jke n GLY 95 N -0.16 0.84 3.92 6.12 0.00 -0.82 -4.90 105.19 110.19 2jke n GLY 95 Ca 0.00 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 2jke n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jke s PHE 96 N -2.22 3.48 0.07 1.61 0.08 -0.64 -3.89 117.98 116.47 2jke s PHE 96 Ca 0.00 0.50 0.04 0.00 0.12 0.00 0.00 56.93 57.59 2jke s PHE 96 Cb 0.00 -1.99 -0.03 0.00 -0.57 0.00 0.00 43.02 40.43 2jke s PHE 96 CO 0.00 0.23 -0.11 -1.83 -0.10 0.00 0.00 175.22 173.41 2jke s GLU 97 N -3.61 0.72 -0.29 0.44 -1.05 0.01 -4.56 118.70 110.35 2jke s GLU 97 Ca 0.42 -0.92 -0.29 0.00 -0.15 0.00 0.00 54.97 54.02 2jke s GLU 97 Cb -0.11 -0.57 -0.01 0.00 -0.44 0.00 0.00 34.13 33.01 2jke s GLU 97 CO 0.31 0.11 1.43 0.08 0.95 0.00 0.00 175.26 178.14 2jke s VAL 98 N -1.55 3.95 -0.11 1.83 1.01 -1.26 -1.09 120.40 123.18 2jke s VAL 98 Ca -0.03 1.06 0.03 0.00 0.00 0.00 0.00 61.98 63.04 2jke s VAL 98 Cb -0.09 -4.01 -0.24 0.00 0.00 0.00 0.00 36.38 32.05 2jke s VAL 98 CO 0.01 -0.45 0.38 1.17 0.00 0.00 0.00 175.10 176.21 2jke n LYS 99 N 7.55 0.70 -3.71 2.72 4.81 0.40 -4.95 118.16 125.68 2jke n LYS 99 Ca 0.16 0.24 -0.05 0.00 -0.87 0.00 0.00 58.31 57.79 2jke n LYS 99 Cb 0.46 -1.70 -0.02 0.00 0.02 0.00 0.00 35.03 33.80 2jke n LYS 99 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2jke s ASP 100 N -6.51 -0.23 0.01 3.14 3.84 -1.19 -5.00 116.67 110.74 2jke s ASP 100 Ca -0.16 -0.35 0.00 0.00 -0.00 0.00 0.00 52.55 52.04 2jke s ASP 100 Cb 0.07 0.50 -0.01 0.00 -1.38 0.00 0.00 42.92 42.10 2jke s ASP 100 CO 0.78 -0.91 -0.02 0.42 -0.00 0.00 0.00 175.17 175.44 2jke s THR 101 N -3.35 0.09 -0.01 2.11 -4.23 -1.26 -0.69 115.64 108.31 2jke s THR 101 Ca 0.10 -0.58 0.02 0.00 -1.18 0.00 0.00 61.69 60.05 2jke s THR 101 Cb -0.02 -0.19 -0.00 0.00 1.34 0.00 0.00 72.50 73.63 2jke s THR 101 CO 0.00 -0.31 -0.06 -1.10 -0.54 0.00 0.00 174.62 172.62 2jke s GLN 102 N -0.93 0.53 0.26 3.99 -1.52 -0.32 -4.98 119.66 116.69 2jke s GLN 102 Ca -0.10 -0.21 0.11 0.00 -1.95 0.00 0.00 55.36 53.21 2jke s GLN 102 Cb -0.06 -0.52 -0.05 0.00 -0.22 0.00 0.00 33.01 32.16 2jke s GLN 102 CO -0.01 0.11 -0.11 0.95 -0.25 0.00 0.00 175.29 175.99 2jke s THR 103 N -0.02 2.97 0.02 -0.19 -4.23 -1.26 -0.46 115.64 112.47 2jke s THR 103 Ca 0.01 -2.08 -0.27 0.00 -1.18 0.00 0.00 61.69 58.16 2jke s THR 103 Cb -0.04 -2.56 0.09 0.00 1.34 0.00 0.00 72.50 71.34 2jke s THR 103 CO -0.00 -0.34 0.80 0.00 -0.54 0.00 0.00 174.62 174.54 2jke s ALA 104 N -2.28 -1.77 -0.02 3.99 0.00 -0.96 -4.99 121.76 115.74 2jke s ALA 104 Ca 0.29 0.95 0.07 0.00 0.00 0.00 0.00 51.96 53.27 2jke s ALA 104 Cb -0.06 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 2jke s ALA 104 CO 0.17 -0.65 -0.22 0.99 0.00 0.00 0.00 175.76 176.04 2jke s THR 105 N -2.95 1.77 -0.03 0.00 2.01 -1.26 0.16 115.64 115.34 2jke s THR 105 Ca 0.02 -0.96 0.04 0.00 0.31 0.00 0.00 61.69 61.10 2jke s THR 105 Cb -0.01 -1.47 -0.00 0.00 0.01 0.00 0.00 72.50 71.02 2jke s THR 105 CO -0.08 0.50 -0.16 0.12 -0.69 0.00 0.00 174.62 174.32 2jke s PHE 106 N -0.51 1.54 -0.36 4.92 5.36 -0.35 -5.01 117.98 123.57 2jke s PHE 106 Ca 0.08 -0.40 0.05 0.00 -0.96 0.00 0.00 56.93 55.70 2jke s PHE 106 Cb -0.09 -1.03 0.17 0.00 -0.34 0.00 0.00 43.02 41.73 2jke s PHE 106 CO -0.01 -0.12 0.49 0.34 -1.46 0.00 0.00 175.22 174.46 2jke s ASP 107 N -0.04 -0.15 -0.01 6.13 2.15 -1.24 -1.36 116.67 122.15 2jke s ASP 107 Ca -0.01 -0.91 -0.06 0.00 0.43 0.00 0.00 52.55 52.00 2jke s ASP 107 Cb -0.10 1.28 0.00 0.00 -0.30 0.00 0.00 42.92 43.80 2jke s ASP 107 CO 0.01 -0.25 0.11 -1.61 -0.17 0.00 0.00 175.17 173.26 2jke s GLU 108 N 1.92 0.38 0.01 4.34 0.41 -0.73 -4.99 118.70 120.04 2jke s GLU 108 Ca 0.14 -0.29 -0.02 0.00 -0.41 0.00 0.00 54.97 54.40 2jke s GLU 108 Cb -0.10 0.16 -0.04 0.00 -1.78 0.00 0.00 34.13 32.37 2jke s GLU 108 CO -0.12 -0.08 0.17 0.95 -0.49 0.00 0.00 175.26 175.68 2jke s THR 109 N -1.05 5.26 0.15 3.63 -4.23 -1.26 -0.89 115.64 117.25 2jke s THR 109 Ca -0.11 -0.28 -0.04 0.00 -1.18 0.00 0.00 61.69 60.08 2jke s THR 109 Cb -0.06 -3.48 -0.03 0.00 1.34 0.00 0.00 72.50 70.27 2jke s THR 109 CO 0.01 0.28 0.14 -1.66 -0.54 0.00 0.00 174.62 172.85 2jke s TRP 110 N -1.34 0.74 -0.17 3.99 1.48 -0.10 -4.97 118.94 118.57 2jke s TRP 110 Ca 0.28 -1.10 0.01 0.00 -1.06 0.00 0.00 56.10 54.23 2jke s TRP 110 Cb -0.13 -0.35 0.02 0.00 -1.16 0.00 0.00 33.47 31.85 2jke s TRP 110 CO 0.20 -0.60 -0.19 -0.65 -4.06 0.00 0.00 176.95 171.65 2jke s GLN 111 N -4.03 2.83 0.77 3.25 -0.21 -1.26 -0.90 119.66 120.11 2jke s GLN 111 Ca 0.23 -0.77 -0.11 0.00 0.02 0.00 0.00 55.36 54.74 2jke s GLN 111 Cb 0.06 -2.44 0.06 0.00 1.00 0.00 0.00 33.01 31.68 2jke s GLN 111 CO 0.02 -0.20 1.09 -1.25 -2.12 0.00 0.00 175.29 172.83 2jke s PRO 112 N 1.28 2.27 0.21 2.91 0.04 -1.26 -4.94 135.00 135.51 2jke s PRO 112 Ca 0.04 1.08 -0.04 0.00 0.04 0.00 0.00 61.00 62.11 2jke s PRO 112 Cb -0.13 -1.90 0.16 0.00 0.04 0.00 0.00 34.50 32.66 2jke s PRO 112 CO -0.11 -1.61 1.59 0.28 0.04 0.00 0.00 177.00 177.19 2jke h VAL 113 N -1.10 1.28 -3.49 -0.36 2.07 -1.95 -3.45 116.25 109.26 2jke h VAL 113 Ca -0.44 -1.47 -0.14 0.00 0.82 0.00 0.00 66.70 65.47 2jke h VAL 113 Cb 1.23 1.38 -0.20 0.00 -1.52 0.00 0.00 31.29 32.18 2jke h VAL 113 CO 0.53 0.48 -0.47 -1.66 0.02 0.00 0.00 177.57 176.47 2jke s TRP 114 N -4.42 0.03 -0.94 1.57 1.48 -1.26 -5.06 118.94 110.34 2jke s TRP 114 Ca -0.09 -0.13 0.00 0.00 -1.06 0.00 0.00 56.10 54.82 2jke s TRP 114 Cb 0.12 -0.04 0.00 0.00 -1.16 0.00 0.00 33.47 32.39 2jke s TRP 114 CO 0.84 -0.31 0.00 0.41 -4.06 0.00 0.00 176.95 173.83 2jke n GLY 115 N 1.34 -1.34 0.03 3.67 0.00 -1.26 -4.98 105.19 102.65 2jke n GLY 115 Ca -0.22 -0.96 0.14 0.00 0.00 0.00 0.00 46.02 44.97 2jke n GLY 115 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jke n GLU 116 N -0.08 0.07 -3.86 1.61 1.02 -1.26 -2.72 120.64 115.42 2jke n GLU 116 Ca 0.00 0.05 -0.09 0.00 -0.02 0.00 0.00 57.16 57.10 2jke n GLU 116 Cb 0.00 -1.58 -0.04 0.00 -0.02 0.00 0.00 31.44 29.80 2jke n GLU 116 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2jke s GLU 117 N -3.03 1.50 0.12 3.49 1.03 -1.20 -2.94 118.70 117.66 2jke s GLU 117 Ca 0.13 -1.04 -0.11 0.00 0.03 0.00 0.00 54.97 53.98 2jke s GLU 117 Cb 0.17 0.51 -0.12 0.00 -0.80 0.00 0.00 34.13 33.90 2jke s GLU 117 CO 0.56 -0.64 1.35 -0.22 -1.33 0.00 0.00 175.26 174.98 2jke h LYS 118 N 2.20 0.79 -4.97 -4.83 3.64 -1.25 -3.45 116.57 108.72 2jke h LYS 118 Ca -0.26 -0.60 -0.42 0.00 -1.27 0.00 0.00 60.65 58.09 2jke h LYS 118 Cb 1.25 0.11 -0.28 0.00 -0.41 0.00 0.00 32.23 32.91 2jke h LYS 118 CO 0.35 1.22 -0.79 -2.00 -2.27 0.00 0.00 179.45 175.96 2jke s GLU 119 N -3.85 0.86 -0.08 1.90 2.12 -1.26 -4.08 118.70 114.31 2jke s GLU 119 Ca -0.10 -0.46 0.05 0.00 0.36 0.00 0.00 54.97 54.81 2jke s GLU 119 Cb 0.09 -0.83 -0.01 0.00 0.26 0.00 0.00 34.13 33.64 2jke s GLU 119 CO 0.90 0.22 -0.22 0.42 -0.54 0.00 0.00 175.26 176.04 2jke s ILE 120 N -0.40 2.26 -0.13 -3.70 1.01 -0.07 -4.97 121.20 115.20 2jke s ILE 120 Ca 0.03 -0.98 -0.15 0.00 0.00 0.00 0.00 60.65 59.56 2jke s ILE 120 Cb -0.05 -1.85 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 2jke s ILE 120 CO -0.00 0.56 0.35 -0.60 0.00 0.00 0.00 174.94 175.25 2jke s ARG 121 N 0.00 4.21 -0.38 2.79 3.52 -1.26 -0.92 118.95 126.90 2jke s ARG 121 Ca -0.08 0.21 -0.03 0.00 -0.13 0.00 0.00 55.73 55.71 2jke s ARG 121 Cb -0.15 -3.40 0.09 0.00 -1.56 0.00 0.00 34.95 29.94 2jke s ARG 121 CO 0.05 0.29 0.16 1.21 -0.81 0.00 0.00 175.30 176.20 2jke s ASN 122 N 0.29 5.21 -0.18 -2.12 2.47 -0.07 -4.99 114.94 115.55 2jke s ASN 122 Ca 0.20 -1.80 -0.05 0.00 0.42 0.00 0.00 52.86 51.63 2jke s ASN 122 Cb -0.14 -1.82 0.06 0.00 -1.45 0.00 0.00 41.25 37.91 2jke s ASN 122 CO 0.07 -0.47 0.09 -2.28 -3.72 0.00 0.00 177.10 170.78 2jke s HIS 123 N 1.19 0.21 0.08 0.43 5.65 -1.26 -1.77 115.29 119.82 2jke s HIS 123 Ca 0.05 -0.38 -0.10 0.00 0.25 0.00 0.00 55.06 54.88 2jke s HIS 123 Cb -0.22 -0.72 0.01 0.00 -1.18 0.00 0.00 32.58 30.47 2jke s HIS 123 CO -0.03 -0.54 0.22 1.52 -0.65 0.00 0.00 174.74 175.26 2jke s TYR 124 N 2.13 0.07 -0.12 3.88 -0.85 -0.47 -4.54 117.35 117.45 2jke s TYR 124 Ca 0.03 -0.41 -0.08 0.00 -0.52 0.00 0.00 57.07 56.09 2jke s TYR 124 Cb -0.16 -0.00 -0.04 0.00 0.38 0.00 0.00 41.96 42.13 2jke s TYR 124 CO -0.12 -0.53 0.16 -0.80 -1.52 0.00 0.00 175.55 172.74 2jke s ASN 125 N -2.59 6.40 0.06 -0.18 0.01 -0.65 -1.21 114.94 116.78 2jke s ASN 125 Ca 0.01 0.48 0.08 0.00 -0.71 0.00 0.00 52.86 52.72 2jke s ASN 125 Cb 0.03 -2.08 -0.03 0.00 0.41 0.00 0.00 41.25 39.57 2jke s ASN 125 CO -0.09 0.38 -0.18 -0.70 -1.51 0.00 0.00 177.10 175.00 2jke s GLU 126 N -0.91 1.99 -0.08 -0.60 2.12 0.12 -0.73 118.70 120.62 2jke s GLU 126 Ca 0.15 -1.03 0.01 0.00 0.36 0.00 0.00 54.97 54.45 2jke s GLU 126 Cb -0.12 -2.16 0.02 0.00 0.26 0.00 0.00 34.13 32.13 2jke s GLU 126 CO 0.04 0.52 -0.08 -1.17 -0.54 0.00 0.00 175.26 174.03 2jke s LEU 127 N -1.60 1.36 -0.16 2.70 2.96 -0.16 -2.27 118.68 121.51 2jke s LEU 127 Ca 0.15 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.80 2jke s LEU 127 Cb -0.10 -0.74 -0.01 0.00 0.50 0.00 0.00 46.19 45.84 2jke s LEU 127 CO 0.06 -0.05 -0.13 0.00 -1.32 0.00 0.00 176.35 174.92 2jke s ALA 128 N 1.16 2.60 -0.20 5.97 0.00 0.39 -0.20 121.76 131.48 2jke s ALA 128 Ca -0.06 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 2jke s ALA 128 Cb -0.14 -1.30 -0.01 0.00 0.00 0.00 0.00 23.12 21.67 2jke s ALA 128 CO -0.02 0.01 -0.05 0.08 0.00 0.00 0.00 175.76 175.78 2jke s VAL 129 N 0.74 3.39 -0.22 0.00 1.01 -0.12 -1.17 120.40 124.02 2jke s VAL 129 Ca -0.05 -0.50 -0.17 0.00 0.00 0.00 0.00 61.98 61.26 2jke s VAL 129 Cb -0.15 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 2jke s VAL 129 CO 0.01 0.44 0.46 -0.89 0.00 0.00 0.00 175.10 175.13 2jke s THR 130 N 1.20 5.14 -0.23 3.92 2.01 0.13 -1.32 115.64 126.49 2jke s THR 130 Ca 0.02 0.82 -0.02 0.00 0.31 0.00 0.00 61.69 62.82 2jke s THR 130 Cb -0.14 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.59 2jke s THR 130 CO -0.01 0.19 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.28 2jke s LEU 131 N 1.67 2.99 -0.10 4.42 1.43 0.11 -0.45 118.68 128.75 2jke s LEU 131 Ca 0.21 -0.69 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 2jke s LEU 131 Cb -0.15 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2jke s LEU 131 CO 0.09 -0.08 0.04 -0.47 0.23 0.00 0.00 176.35 176.16 2jke s TYR 132 N 1.38 3.29 -0.44 0.29 5.04 -0.25 -1.04 117.35 125.62 2jke s TYR 132 Ca 0.03 0.28 -0.02 0.00 -2.44 0.00 0.00 57.07 54.93 2jke s TYR 132 Cb -0.15 -1.84 0.12 0.00 0.35 0.00 0.00 41.96 40.43 2jke s TYR 132 CO -0.05 0.54 0.22 -1.14 -1.34 0.00 0.00 175.55 173.78 2jke s GLN 133 N -0.88 2.02 0.25 4.97 0.74 0.55 -0.81 119.66 126.50 2jke s GLN 133 Ca 0.13 -1.98 -0.03 0.00 0.05 0.00 0.00 55.36 53.54 2jke s GLN 133 Cb -0.12 -3.54 0.46 0.00 1.10 0.00 0.00 33.01 30.91 2jke s GLN 133 CO 0.03 -1.07 1.79 -1.35 -0.55 0.00 0.00 175.29 174.13 2jke h PRO 134 N 7.75 0.69 0.00 1.67 0.11 -1.85 0.49 132.00 140.86 2jke h PRO 134 Ca -0.10 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 2jke h PRO 134 Cb 1.02 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 2jke h PRO 134 CO 0.68 0.46 -0.07 0.00 -0.21 0.00 0.00 178.00 178.85 2jke h MET 135 N 0.71 0.00 -0.05 1.05 -0.00 -1.94 -2.46 114.93 112.24 2jke h MET 135 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.13 2jke h MET 135 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.10 2jke h MET 135 CO -0.30 0.07 0.00 0.09 -0.00 0.00 0.00 176.91 176.77 2jke n ASN 136 N -3.29 1.74 -3.90 -0.10 5.03 -0.88 -4.99 115.26 108.87 2jke n ASN 136 Ca -0.01 -1.43 -0.30 0.00 0.87 0.00 0.00 54.58 53.71 2jke n ASN 136 Cb 0.26 -0.03 -0.00 0.00 -1.02 0.00 0.00 39.78 38.99 2jke n ASN 136 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2jke n ASP 137 N 0.26 -2.14 -3.72 6.41 2.03 0.11 -4.94 116.55 114.55 2jke n ASP 137 Ca 0.04 -1.06 -0.10 0.00 0.52 0.00 0.00 54.79 54.19 2jke n ASP 137 Cb 0.20 -2.92 -0.05 0.00 -0.72 0.00 0.00 41.12 37.63 2jke n ASP 137 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jke s ARG 138 N -6.52 1.15 0.05 -0.67 1.70 -1.18 -4.59 118.95 108.88 2jke s ARG 138 Ca 0.20 -0.83 0.04 0.00 -0.47 0.00 0.00 55.73 54.66 2jke s ARG 138 Cb -0.08 0.46 -0.02 0.00 -0.57 0.00 0.00 34.95 34.74 2jke s ARG 138 CO 0.90 -0.45 -0.11 -1.12 -1.08 0.00 0.00 175.30 173.43 2jke s SER 139 N -2.85 1.25 0.33 -2.89 0.01 -1.26 -0.33 113.70 107.96 2jke s SER 139 Ca 0.07 -0.54 0.04 0.00 1.31 0.00 0.00 55.95 56.83 2jke s SER 139 Cb 0.02 -0.02 -0.06 0.00 0.21 0.00 0.00 66.02 66.16 2jke s SER 139 CO -0.08 -0.11 0.06 0.27 0.41 0.00 0.00 173.24 173.79 2jke s ILE 140 N -1.20 1.20 -0.04 1.44 -4.36 -0.21 -4.48 121.20 113.55 2jke s ILE 140 Ca -0.05 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.39 2jke s ILE 140 Cb -0.09 -2.78 -0.01 0.00 1.25 0.00 0.00 42.46 40.83 2jke s ILE 140 CO 0.01 0.00 -0.19 -0.69 0.24 0.00 0.00 174.94 174.31 2jke s VAL 141 N -3.27 1.56 -0.21 8.37 1.01 -0.37 0.06 120.40 127.56 2jke s VAL 141 Ca 0.36 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 2jke s VAL 141 Cb 0.09 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 2jke s VAL 141 CO 0.15 0.45 -0.03 -0.63 0.00 0.00 0.00 175.10 175.04 2jke s ILE 142 N -0.03 3.60 -0.18 2.22 1.01 -0.43 0.55 121.20 127.94 2jke s ILE 142 Ca -0.03 -0.43 -0.06 0.00 0.00 0.00 0.00 60.65 60.14 2jke s ILE 142 Cb -0.12 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 2jke s ILE 142 CO 0.02 0.43 0.02 -0.60 0.00 0.00 0.00 174.94 174.81 2jke s ARG 143 N 1.23 3.81 -0.11 2.79 3.52 -0.54 -0.95 118.95 128.71 2jke s ARG 143 Ca 0.03 -0.43 0.02 0.00 -0.13 0.00 0.00 55.73 55.21 2jke s ARG 143 Cb -0.14 -3.09 -0.01 0.00 -1.56 0.00 0.00 34.95 30.14 2jke s ARG 143 CO -0.00 0.22 -0.16 -0.06 -0.81 0.00 0.00 175.30 174.49 2jke s PHE 144 N 0.47 2.73 -0.15 5.12 0.08 0.73 -1.74 117.98 125.22 2jke s PHE 144 Ca 0.00 -0.61 0.01 0.00 0.12 0.00 0.00 56.93 56.44 2jke s PHE 144 Cb -0.13 -1.77 0.02 0.00 -0.57 0.00 0.00 43.02 40.57 2jke s PHE 144 CO 0.02 -0.17 -0.15 1.03 -0.10 0.00 0.00 175.22 175.85 2jke s ARG 145 N 0.11 2.41 -0.20 0.44 0.52 0.21 -0.99 118.95 121.44 2jke s ARG 145 Ca -0.07 -0.61 -0.01 0.00 -0.52 0.00 0.00 55.73 54.52 2jke s ARG 145 Cb -0.15 -2.15 0.01 0.00 0.52 0.00 0.00 34.95 33.18 2jke s ARG 145 CO 0.05 -0.20 -0.12 -1.17 0.02 0.00 0.00 175.30 173.88 2jke s LEU 146 N 1.37 2.53 0.44 2.53 2.96 0.09 -0.75 118.68 127.85 2jke s LEU 146 Ca 0.03 -0.56 0.08 0.00 -0.22 0.00 0.00 54.13 53.46 2jke s LEU 146 Cb -0.13 -1.60 -0.00 0.00 0.50 0.00 0.00 46.19 44.95 2jke s LEU 146 CO -0.09 -0.02 0.44 -0.36 -1.32 0.00 0.00 176.35 175.00 2jke s PHE 147 N 1.37 2.49 0.30 5.38 0.08 0.54 -1.64 117.98 126.50 2jke s PHE 147 Ca 0.05 -0.54 0.37 0.00 0.12 0.00 0.00 56.93 56.93 2jke s PHE 147 Cb -0.14 -2.17 1.83 0.00 -0.57 0.00 0.00 43.02 41.97 2jke s PHE 147 CO -0.08 -0.28 2.12 -0.91 -0.10 0.00 0.00 175.22 175.97 2jke h ASN 148 N 0.88 0.00 -0.11 1.36 2.35 -1.95 -2.83 115.58 115.28 2jke h ASN 148 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 2jke h ASN 148 Cb 1.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.64 2jke h ASN 148 CO 0.55 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 175.43 2jke n ASP 149 N -2.97 2.59 0.00 5.81 5.75 -1.26 -4.91 116.55 121.56 2jke n ASP 149 Ca -0.01 -2.48 0.00 0.00 -0.01 0.00 0.00 54.79 52.29 2jke n ASP 149 Cb 0.17 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 2jke n ASP 149 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jke n GLY 150 N -0.58 -0.82 3.26 6.12 0.00 -1.07 -1.39 105.19 110.72 2jke n GLY 150 Ca 0.10 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 2jke n GLY 150 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jke s LEU 151 N 0.00 2.04 0.03 0.99 2.96 0.57 -0.34 118.68 124.93 2jke s LEU 151 Ca 0.00 -0.46 0.09 0.00 -0.22 0.00 0.00 54.13 53.54 2jke s LEU 151 Cb 0.00 -1.28 -0.03 0.00 0.50 0.00 0.00 46.19 45.39 2jke s LEU 151 CO 0.00 0.26 -0.26 -0.83 -1.32 0.00 0.00 176.35 174.20 2jke s GLY 152 N -0.32 1.37 0.04 7.98 0.00 0.07 -0.52 107.32 115.94 2jke s GLY 152 Ca 0.02 -1.23 -0.03 0.00 0.00 0.00 0.00 44.72 43.48 2jke s GLY 152 CO 0.02 -1.09 0.03 -0.11 0.00 0.00 0.00 173.10 171.94 2jke s PHE 153 N -0.75 0.30 0.13 1.90 -0.12 -0.29 -0.61 117.98 118.53 2jke s PHE 153 Ca 0.11 -0.66 -0.10 0.00 -0.05 0.00 0.00 56.93 56.24 2jke s PHE 153 Cb -0.10 -0.22 -0.00 0.00 -0.63 0.00 0.00 43.02 42.07 2jke s PHE 153 CO 0.01 -0.32 0.26 -0.98 -0.05 0.00 0.00 175.22 174.14 2jke s ARG 154 N -2.64 1.03 -0.07 1.99 1.70 -0.71 0.18 118.95 120.42 2jke s ARG 154 Ca -0.05 -1.03 -0.04 0.00 -0.47 0.00 0.00 55.73 54.14 2jke s ARG 154 Cb -0.01 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.71 2jke s ARG 154 CO -0.05 -0.36 0.12 0.71 -1.08 0.00 0.00 175.30 174.64 2jke s TYR 155 N -3.91 3.49 -0.02 5.89 2.02 -1.26 -1.46 117.35 122.10 2jke s TYR 155 Ca 0.10 0.40 0.06 0.00 -0.37 0.00 0.00 57.07 57.26 2jke s TYR 155 Cb 0.04 -1.86 -0.01 0.00 -0.40 0.00 0.00 41.96 39.72 2jke s TYR 155 CO -0.06 0.66 -0.20 -1.21 -1.57 0.00 0.00 175.55 173.17 2jke s GLU 156 N -1.34 1.72 -0.45 -0.62 2.02 0.19 -1.00 118.70 119.22 2jke s GLU 156 Ca 0.19 -0.72 0.04 0.00 0.02 0.00 0.00 54.97 54.49 2jke s GLU 156 Cb -0.12 -1.62 0.12 0.00 0.10 0.00 0.00 34.13 32.61 2jke s GLU 156 CO 0.09 0.41 0.19 -0.06 0.02 0.00 0.00 175.26 175.91 2jke s PHE 157 N -0.40 3.21 0.61 1.61 0.08 0.39 -1.24 117.98 122.24 2jke s PHE 157 Ca 0.06 -3.01 -0.18 0.00 0.12 0.00 0.00 56.93 53.92 2jke s PHE 157 Cb -0.09 -2.73 -0.03 0.00 -0.57 0.00 0.00 43.02 39.60 2jke s PHE 157 CO -0.00 -0.81 1.17 -2.14 -0.10 0.00 0.00 175.22 173.34 2jke s PRO 158 N 0.20 2.94 0.27 0.24 0.02 -1.26 -2.33 135.00 135.09 2jke s PRO 158 Ca 0.15 1.70 -0.30 0.00 0.02 0.00 0.00 61.00 62.57 2jke s PRO 158 Cb -0.23 -1.94 -0.10 0.00 0.02 0.00 0.00 34.50 32.25 2jke s PRO 158 CO -0.03 -1.20 1.39 -1.14 -0.33 0.00 0.00 177.00 175.69 2jke s GLN 159 N -3.50 4.29 -0.00 5.54 0.74 -1.26 -4.77 119.66 120.69 2jke s GLN 159 Ca 0.74 2.27 -0.29 0.00 0.05 0.00 0.00 55.36 58.13 2jke s GLN 159 Cb -0.27 -3.10 0.10 0.00 1.10 0.00 0.00 33.01 30.84 2jke s GLN 159 CO 0.34 -0.35 0.98 1.14 -0.55 0.00 0.00 175.29 176.85 2jke s GLN 160 N -0.81 0.79 0.27 1.67 -2.07 -1.24 -4.99 119.66 113.28 2jke s GLN 160 Ca 0.56 -0.34 0.00 0.00 -1.82 0.00 0.00 55.36 53.77 2jke s GLN 160 Cb -0.41 0.33 0.61 0.00 -1.09 0.00 0.00 33.01 32.45 2jke s GLN 160 CO 0.46 -0.35 1.71 -0.22 -1.32 0.00 0.00 175.29 175.58 2jke h LYS 161 N 2.00 0.43 -0.26 9.60 3.11 -1.93 -2.93 116.57 126.59 2jke h LYS 161 Ca -0.21 -0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 57.60 2jke h LYS 161 Cb 1.23 -0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 32.36 2jke h LYS 161 CO 0.28 0.28 0.00 0.43 -2.81 0.00 0.00 179.45 177.64 2jke n SER 162 N -5.01 3.85 -3.36 4.20 7.64 -1.26 -4.81 113.62 114.87 2jke n SER 162 Ca 0.19 -3.03 -0.13 0.00 1.01 0.00 0.00 58.87 56.91 2jke n SER 162 Cb 0.54 -0.55 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 2jke n SER 162 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2jke s LEU 163 N -2.84 -0.52 0.00 -3.43 2.96 -1.11 -4.90 118.68 108.84 2jke s LEU 163 Ca 0.42 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 2jke s LEU 163 Cb 0.34 0.84 0.00 0.00 0.50 0.00 0.00 46.19 47.87 2jke s LEU 163 CO 0.09 -0.36 0.00 0.59 -1.32 0.00 0.00 176.35 175.35 2jke n ASN 164 N 5.34 0.00 -4.80 3.68 3.02 -1.26 -3.69 115.26 117.55 2jke n ASN 164 Ca -0.01 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.16 2jke n ASN 164 Cb 0.48 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.59 2jke n ASN 164 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2jke s TYR 165 N 0.00 3.64 0.11 3.10 2.02 -1.26 -1.17 117.35 123.78 2jke s TYR 165 Ca 0.00 0.87 -0.21 0.00 -0.37 0.00 0.00 57.07 57.35 2jke s TYR 165 Cb 0.00 -2.31 0.06 0.00 -0.40 0.00 0.00 41.96 39.31 2jke s TYR 165 CO 0.00 0.51 0.53 -0.59 -1.57 0.00 0.00 175.55 174.43 2jke s PHE 166 N -0.55 -0.42 -0.07 2.71 -0.12 -0.73 -5.01 117.98 113.78 2jke s PHE 166 Ca 0.22 0.29 0.05 0.00 -0.05 0.00 0.00 56.93 57.44 2jke s PHE 166 Cb -0.15 0.41 -0.00 0.00 -0.63 0.00 0.00 43.02 42.64 2jke s PHE 166 CO 0.10 -0.74 -0.23 0.08 -0.05 0.00 0.00 175.22 174.39 2jke s VAL 167 N -3.26 1.92 -0.10 -2.49 1.01 -1.26 -0.57 120.40 115.65 2jke s VAL 167 Ca -0.01 -0.97 -0.26 0.00 0.00 0.00 0.00 61.98 60.74 2jke s VAL 167 Cb -0.00 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 2jke s VAL 167 CO -0.08 0.53 0.84 -0.63 0.00 0.00 0.00 175.10 175.76 2jke s ILE 168 N 0.09 4.92 -0.16 2.22 1.01 0.10 -0.36 121.20 129.01 2jke s ILE 168 Ca -0.10 1.70 -0.26 0.00 0.00 0.00 0.00 60.65 62.00 2jke s ILE 168 Cb -0.15 -4.16 -0.23 0.00 0.01 0.00 0.00 42.46 37.92 2jke s ILE 168 CO 0.05 0.12 0.55 0.50 0.00 0.00 0.00 174.94 176.16 2jke h LYS 169 N 7.03 0.02 -2.71 2.79 3.64 -1.00 0.31 116.57 126.65 2jke h LYS 169 Ca -0.35 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 58.90 2jke h LYS 169 Cb 1.17 0.01 -0.21 0.00 -0.41 0.00 0.00 32.23 32.79 2jke h LYS 169 CO 0.80 1.01 -0.15 -1.21 -2.27 0.00 0.00 179.45 177.63 2jke s GLU 170 N -2.29 0.73 -0.00 1.90 0.41 -0.90 -4.46 118.70 114.09 2jke s GLU 170 Ca -0.23 0.10 -0.15 0.00 -0.41 0.00 0.00 54.97 54.28 2jke s GLU 170 Cb 0.01 0.33 -0.06 0.00 -1.78 0.00 0.00 34.13 32.64 2jke s GLU 170 CO 0.66 -0.19 0.41 -2.00 -0.49 0.00 0.00 175.26 173.65 2jke s GLU 171 N -0.94 3.94 -0.60 1.61 2.12 -1.26 -0.62 118.70 122.95 2jke s GLU 171 Ca -0.10 0.42 0.04 0.00 0.36 0.00 0.00 54.97 55.70 2jke s GLU 171 Cb -0.04 -3.23 0.35 0.00 0.26 0.00 0.00 34.13 31.48 2jke s GLU 171 CO 0.05 0.68 1.07 0.72 -0.54 0.00 0.00 175.26 177.23 2jke n HIS 172 N 1.87 3.84 -2.99 5.30 8.25 0.11 -4.56 115.22 127.03 2jke n HIS 172 Ca -0.14 -3.71 -0.41 0.00 -0.26 0.00 0.00 57.72 53.20 2jke n HIS 172 Cb 0.52 -0.49 -0.05 0.00 1.12 0.00 0.00 29.99 31.09 2jke n HIS 172 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2jke s SER 173 N -3.28 6.71 0.12 0.41 0.01 -1.26 -3.31 113.70 113.10 2jke s SER 173 Ca 0.48 0.88 0.02 0.00 1.31 0.00 0.00 55.95 58.63 2jke s SER 173 Cb 0.30 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 2jke s SER 173 CO -0.15 -0.45 0.26 -1.10 0.41 0.00 0.00 173.24 172.20 2jke s GLN 174 N 2.69 3.43 -0.39 12.44 -0.21 -0.54 -0.85 119.66 136.23 2jke s GLN 174 Ca 0.31 -0.55 0.01 0.00 0.02 0.00 0.00 55.36 55.15 2jke s GLN 174 Cb -0.15 -2.99 0.13 0.00 1.00 0.00 0.00 33.01 31.00 2jke s GLN 174 CO 0.08 0.55 0.21 -0.06 -2.12 0.00 0.00 175.29 173.95 2jke s PHE 175 N -1.66 1.37 -0.16 0.91 0.08 0.21 -4.70 117.98 114.02 2jke s PHE 175 Ca 0.35 -1.99 -0.26 0.00 0.12 0.00 0.00 56.93 55.15 2jke s PHE 175 Cb -0.12 -1.43 -0.01 0.00 -0.57 0.00 0.00 43.02 40.89 2jke s PHE 175 CO 0.28 -0.81 0.88 0.20 -0.10 0.00 0.00 175.22 175.67 2jke s GLY 176 N 0.80 2.11 0.36 4.36 0.00 -1.26 -1.61 107.32 112.08 2jke s GLY 176 Ca 0.17 0.11 -0.15 0.00 0.00 0.00 0.00 44.72 44.84 2jke s GLY 176 CO -0.02 1.76 0.78 1.06 0.00 0.00 0.00 173.10 176.68 2jke s MET 177 N 2.22 4.01 0.00 2.90 1.00 -0.06 -0.80 119.30 128.57 2jke s MET 177 Ca 0.40 0.73 0.18 0.00 0.00 0.00 0.00 55.69 57.00 2jke s MET 177 Cb -0.17 -2.38 0.55 0.00 0.00 0.00 0.00 34.83 32.84 2jke s MET 177 CO 0.13 0.09 1.43 -1.71 0.00 0.00 0.00 175.02 174.95 2jke n ASN 178 N -0.56 2.09 -3.64 3.03 5.15 -1.26 -4.75 115.26 115.31 2jke n ASN 178 Ca 0.04 -1.87 0.01 0.00 -0.60 0.00 0.00 54.58 52.17 2jke n ASN 178 Cb 0.53 -0.20 -0.00 0.00 -0.53 0.00 0.00 39.78 39.59 2jke n ASN 178 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2jke s GLY 179 N -1.31 -0.35 -1.30 8.20 0.00 -1.26 -5.05 107.32 106.25 2jke s GLY 179 Ca 0.31 0.53 -0.15 0.00 0.00 0.00 0.00 44.72 45.41 2jke s GLY 179 CO 0.24 0.85 1.75 1.34 0.00 0.00 0.00 173.10 177.27 2jke n ASP 180 N -0.58 4.87 -4.71 1.64 2.03 -1.26 -4.99 116.55 113.55 2jke n ASP 180 Ca -0.07 -2.95 -0.30 0.00 0.52 0.00 0.00 54.79 51.99 2jke n ASP 180 Cb 0.62 -1.64 0.14 0.00 -0.72 0.00 0.00 41.12 39.52 2jke n ASP 180 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2jke s HIS 181 N 2.72 2.27 0.01 -0.67 3.76 -1.26 -4.53 115.29 117.60 2jke s HIS 181 Ca 0.47 1.32 -0.28 0.00 -0.15 0.00 0.00 55.06 56.42 2jke s HIS 181 Cb 0.04 -3.15 -0.04 0.00 1.11 0.00 0.00 32.58 30.54 2jke s HIS 181 CO 0.02 -2.41 0.90 0.42 -0.85 0.00 0.00 174.74 172.82 2jke s ILE 182 N -2.89 4.82 0.17 0.60 1.01 -0.74 -0.69 121.20 123.47 2jke s ILE 182 Ca 0.64 1.90 0.10 0.00 0.00 0.00 0.00 60.65 63.28 2jke s ILE 182 Cb -0.18 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 2jke s ILE 182 CO 0.57 0.23 -0.22 0.00 0.00 0.00 0.00 174.94 175.53 2jke s ALA 183 N 0.65 2.26 -0.30 9.38 0.00 0.94 -0.80 121.76 133.88 2jke s ALA 183 Ca 0.47 -1.54 0.01 0.00 0.00 0.00 0.00 51.96 50.90 2jke s ALA 183 Cb -0.21 -0.27 0.07 0.00 0.00 0.00 0.00 23.12 22.71 2jke s ALA 183 CO 0.26 0.36 -0.01 -0.06 0.00 0.00 0.00 175.76 176.30 2jke s PHE 184 N -1.73 3.42 0.03 0.00 0.08 -0.10 -1.69 117.98 117.98 2jke s PHE 184 Ca 0.17 -2.37 -0.02 0.00 0.12 0.00 0.00 56.93 54.83 2jke s PHE 184 Cb -0.07 -2.34 -0.02 0.00 -0.57 0.00 0.00 43.02 40.01 2jke s PHE 184 CO 0.08 -0.89 0.01 1.67 -0.10 0.00 0.00 175.22 176.00 2jke s TRP 185 N 1.10 0.30 0.20 0.36 1.48 -0.55 -3.52 118.94 118.32 2jke s TRP 185 Ca -0.02 -0.64 0.11 0.00 -1.06 0.00 0.00 56.10 54.49 2jke s TRP 185 Cb -0.20 -0.22 -0.04 0.00 -1.16 0.00 0.00 33.47 31.84 2jke s TRP 185 CO -0.05 -0.29 -0.22 0.96 -4.06 0.00 0.00 176.95 173.29 2jke s ILE 186 N -2.40 2.28 0.24 0.66 -4.36 -1.26 -1.39 121.20 114.96 2jke s ILE 186 Ca -0.07 -2.08 -0.31 0.00 -0.26 0.00 0.00 60.65 57.92 2jke s ILE 186 Cb -0.03 -2.11 -0.13 0.00 1.25 0.00 0.00 42.46 41.44 2jke s ILE 186 CO -0.04 -0.21 1.53 -2.65 0.24 0.00 0.00 174.94 173.81 2jke n PRO 187 N 0.10 2.33 -1.68 0.37 -0.02 -1.26 -1.78 135.00 133.06 2jke n PRO 187 Ca -0.11 0.83 -0.45 0.00 -2.02 0.00 0.00 63.50 61.75 2jke n PRO 187 Cb 0.57 -2.57 -0.04 0.00 -0.02 0.00 0.00 33.50 31.45 2jke n PRO 187 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jke n GLY 188 N 2.56 1.07 3.63 -1.23 0.00 0.46 -4.28 105.19 107.39 2jke n GLY 188 Ca 0.12 0.60 -0.11 0.00 0.00 0.00 0.00 46.02 46.62 2jke n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jke s ASP 189 N 0.73 -0.81 0.00 1.61 -1.08 -1.26 -3.42 116.67 112.44 2jke s ASP 189 Ca 0.75 1.44 0.29 0.00 -0.52 0.00 0.00 52.55 54.51 2jke s ASP 189 Cb -0.65 1.42 1.25 0.00 -1.46 0.00 0.00 42.92 43.48 2jke s ASP 189 CO 0.41 -0.24 1.88 -1.22 0.52 0.00 0.00 175.17 176.53 2jke n TYR 190 N 3.27 0.00 0.00 -5.34 4.01 -0.31 -4.46 117.16 114.33 2jke n TYR 190 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2jke n TYR 190 Cb 0.56 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 2jke n TYR 190 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2jke n ASP 191 N -1.13 2.67 -4.02 7.72 8.00 -1.26 -2.39 116.55 126.14 2jke n ASP 191 Ca 0.13 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.53 2jke n ASP 191 Cb 0.28 0.36 -0.11 0.00 -0.02 0.00 0.00 41.12 41.63 2jke n ASP 191 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2jke s THR 192 N -1.37 0.26 -0.23 -3.53 -1.32 -1.25 -4.71 115.64 103.49 2jke s THR 192 Ca 0.00 -1.12 0.08 0.00 -1.21 0.00 0.00 61.69 59.44 2jke s THR 192 Cb 0.00 -0.58 0.18 0.00 -1.51 0.00 0.00 72.50 70.58 2jke s THR 192 CO 0.00 -0.56 1.12 0.00 -2.21 0.00 0.00 174.62 172.98 2jke n GLN 193 N 1.28 2.59 -0.61 7.08 3.00 -1.26 -4.65 117.38 124.81 2jke n GLN 193 Ca -0.22 -1.98 -0.03 0.00 -0.01 0.00 0.00 57.00 54.77 2jke n GLN 193 Cb 0.56 -1.24 -0.04 0.00 0.00 0.00 0.00 30.24 29.51 2jke n GLN 193 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2jke n GLU 194 N -0.51 1.23 -4.13 -1.09 1.02 -1.26 -3.39 120.64 112.51 2jke n GLU 194 Ca 0.08 -0.25 -0.31 0.00 -0.02 0.00 0.00 57.16 56.65 2jke n GLU 194 Cb 0.43 -1.26 -0.07 0.00 -0.02 0.00 0.00 31.44 30.52 2jke n GLU 194 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2jke s TYR 195 N 0.30 3.15 0.52 -0.32 2.02 -1.26 -4.72 117.35 117.05 2jke s TYR 195 Ca 0.17 0.09 -0.21 0.00 -0.37 0.00 0.00 57.07 56.75 2jke s TYR 195 Cb 0.08 -1.64 -0.06 0.00 -0.40 0.00 0.00 41.96 39.94 2jke s TYR 195 CO 0.00 0.51 1.23 -0.51 -1.57 0.00 0.00 175.55 175.21 2jke s ASP 196 N -2.04 5.62 0.60 2.29 1.01 -1.26 -4.52 116.67 118.36 2jke s ASP 196 Ca 0.25 2.46 -0.16 0.00 0.71 0.00 0.00 52.55 55.80 2jke s ASP 196 Cb -0.12 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.17 2jke s ASP 196 CO 0.17 -1.31 1.08 -0.31 0.21 0.00 0.00 175.17 175.01 2jke s TYR 197 N -1.50 2.84 0.00 4.23 1.51 -1.26 -4.78 117.35 118.39 2jke s TYR 197 Ca 0.70 1.53 0.08 0.00 -1.01 0.00 0.00 57.07 58.37 2jke s TYR 197 Cb -0.32 -3.10 -0.02 0.00 -0.11 0.00 0.00 41.96 38.41 2jke s TYR 197 CO 0.38 -1.32 -0.25 0.99 -1.11 0.00 0.00 175.55 174.24 2jke s THR 198 N -2.29 1.99 -0.24 -0.71 2.01 -0.49 -4.95 115.64 110.96 2jke s THR 198 Ca 0.66 -1.16 -0.04 0.00 0.31 0.00 0.00 61.69 61.46 2jke s THR 198 Cb -0.18 -1.67 0.01 0.00 0.01 0.00 0.00 72.50 70.66 2jke s THR 198 CO 0.35 0.48 -0.03 -0.63 -0.69 0.00 0.00 174.62 174.10 2jke s ILE 199 N -0.66 3.29 0.27 1.82 1.01 -1.26 -1.48 121.20 124.19 2jke s ILE 199 Ca 0.10 -0.72 -0.20 0.00 0.00 0.00 0.00 60.65 59.83 2jke s ILE 199 Cb -0.10 -2.59 0.02 0.00 0.01 0.00 0.00 42.46 39.80 2jke s ILE 199 CO 0.00 0.28 0.68 -0.94 0.00 0.00 0.00 174.94 174.96 2jke s SER 200 N 1.43 -0.26 0.71 3.58 1.04 -0.68 -4.98 113.70 114.54 2jke s SER 200 Ca 0.03 -0.61 -0.12 0.00 0.48 0.00 0.00 55.95 55.74 2jke s SER 200 Cb -0.16 0.70 0.02 0.00 0.10 0.00 0.00 66.02 66.69 2jke s SER 200 CO -0.03 -1.29 1.08 -0.13 0.98 0.00 0.00 173.24 173.85 2jke s ARG 201 N -3.92 2.66 0.29 4.02 1.81 -1.26 -0.04 118.95 122.51 2jke s ARG 201 Ca 0.12 1.14 0.01 0.00 -1.72 0.00 0.00 55.73 55.28 2jke s ARG 201 Cb -0.05 -1.95 0.54 0.00 -0.45 0.00 0.00 34.95 33.04 2jke s ARG 201 CO 0.06 -1.33 1.87 -0.07 -0.68 0.00 0.00 175.30 175.15 2jke h LEU 202 N -0.66 0.92 -0.98 2.53 3.38 -1.14 -0.44 115.31 118.93 2jke h LEU 202 Ca -0.44 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2jke h LEU 202 Cb 1.23 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2jke h LEU 202 CO 0.54 0.54 0.00 0.77 0.09 0.00 0.00 178.44 180.38 2jke h SER 203 N 1.02 0.00 0.15 -0.43 4.64 -1.90 -2.84 113.55 114.19 2jke h SER 203 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2jke h SER 203 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2jke h SER 203 CO -0.20 0.00 -0.67 -0.62 -0.87 0.00 0.00 176.83 174.47 2jke n GLU 204 N -2.37 0.36 -0.08 4.77 1.02 -0.18 -4.50 120.64 119.65 2jke n GLU 204 Ca 0.01 -0.27 -0.08 0.00 -0.02 0.00 0.00 57.16 56.80 2jke n GLU 204 Cb 0.20 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.12 2jke n GLU 204 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2jke h ILE 205 N 0.66 1.01 -0.50 -3.67 2.04 -1.40 -2.64 117.51 113.01 2jke h ILE 205 Ca 0.00 -0.12 0.10 0.00 1.00 0.00 0.00 64.86 65.84 2jke h ILE 205 Cb 0.55 0.65 -0.08 0.00 -0.74 0.00 0.00 36.82 37.20 2jke h ILE 205 CO 0.00 0.06 -0.00 -0.09 0.00 0.00 0.00 178.15 178.12 2jke h ARG 206 N 0.34 0.11 0.00 2.37 2.43 -1.79 -0.32 114.38 117.52 2jke h ARG 206 Ca 0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2jke h ARG 206 Cb 0.02 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2jke h ARG 206 CO -0.07 0.07 0.00 0.78 -1.51 0.00 0.00 179.97 179.25 2jke h GLY 207 N 0.11 0.00 0.00 2.80 0.00 -1.79 -3.09 103.07 101.11 2jke h GLY 207 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2jke h GLY 207 CO -0.42 0.00 -1.17 1.04 0.00 0.00 0.00 176.54 175.99 2jke n LEU 208 N -2.46 0.72 -0.16 3.11 4.77 -0.52 -4.63 117.00 117.82 2jke n LEU 208 Ca 0.03 -0.39 -0.05 0.00 -0.03 0.00 0.00 56.01 55.58 2jke n LEU 208 Cb 0.33 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.47 2jke n LEU 208 CO 0.26 0.18 1.02 -0.03 -1.33 0.00 0.00 177.39 177.48 2jke h MET 209 N 0.00 0.48 -0.32 3.23 4.05 -1.02 -1.11 114.93 120.23 2jke h MET 209 Ca 0.00 -0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.44 2jke h MET 209 Cb 0.58 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 31.23 2jke h MET 209 CO 0.00 0.32 0.07 -0.22 0.23 0.00 0.00 176.91 177.30 2jke h LYS 210 N 0.49 0.18 0.00 0.39 3.64 -1.82 -1.20 116.57 118.25 2jke h LYS 210 Ca 0.21 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 2jke h LYS 210 Cb 0.11 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2jke h LYS 210 CO -0.15 0.12 -0.16 0.93 -2.27 0.00 0.00 179.45 177.92 2jke h GLU 211 N 0.19 0.00 0.00 1.90 4.39 -1.81 -3.04 114.58 116.21 2jke h GLU 211 Ca 0.15 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 2jke h GLU 211 Cb 0.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2jke h GLU 211 CO -0.20 0.16 -0.32 0.00 -1.16 0.00 0.00 179.01 177.50 2jke h ALA 212 N 1.84 0.95 -1.77 3.43 0.00 -0.06 -3.39 119.26 120.25 2jke h ALA 212 Ca -0.00 -0.29 -0.66 0.00 0.00 0.00 0.00 54.91 53.96 2jke h ALA 212 Cb 0.84 -0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.42 2jke h ALA 212 CO 0.02 0.40 0.72 0.42 0.00 0.00 0.00 179.25 180.81 2jke s ILE 213 N -3.50 4.52 0.50 0.00 1.01 -0.67 -4.81 121.20 118.25 2jke s ILE 213 Ca 0.01 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 2jke s ILE 213 Cb 0.10 -4.74 0.00 0.00 0.01 0.00 0.00 42.46 37.83 2jke s ILE 213 CO 0.67 -1.50 0.74 0.42 0.00 0.00 0.00 174.94 175.28 2jke s THR 214 N 3.38 3.79 0.35 2.92 -4.23 -1.26 -4.99 115.64 115.60 2jke s THR 214 Ca 0.28 -0.37 -0.28 0.00 -1.18 0.00 0.00 61.69 60.15 2jke s THR 214 Cb -0.10 -3.43 -0.10 0.00 1.34 0.00 0.00 72.50 70.21 2jke s THR 214 CO -0.01 -0.35 1.28 -2.84 -0.54 0.00 0.00 174.62 172.17 2jke s PRO 215 N -4.70 4.25 -0.01 3.99 0.02 -1.26 -5.04 135.00 132.26 2jke s PRO 215 Ca 0.51 2.14 -0.12 0.00 0.02 0.00 0.00 61.00 63.55 2jke s PRO 215 Cb -0.10 -2.97 0.02 0.00 0.02 0.00 0.00 34.50 31.47 2jke s PRO 215 CO 0.40 -0.25 0.25 1.21 -0.33 0.00 0.00 177.00 178.28 2jke s ASN 216 N -0.63 -0.11 0.55 2.53 3.84 -1.26 -5.05 114.94 114.81 2jke s ASN 216 Ca 0.51 -0.03 0.27 0.00 0.21 0.00 0.00 52.86 53.82 2jke s ASN 216 Cb -0.38 0.28 1.58 0.00 -0.55 0.00 0.00 41.25 42.18 2jke s ASN 216 CO 0.50 -0.43 2.16 0.77 -2.79 0.00 0.00 177.10 177.31 2jke h SER 217 N 3.96 0.00 -2.83 -4.21 4.64 -1.99 -3.38 113.55 109.74 2jke h SER 217 Ca -0.30 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.67 2jke h SER 217 Cb 1.18 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.90 2jke h SER 217 CO 0.41 0.06 -0.66 -0.55 -0.87 0.00 0.00 176.83 175.21 2jke s SER 218 N -6.29 1.47 -0.20 4.97 0.15 -1.26 -4.49 113.70 108.05 2jke s SER 218 Ca -0.04 -0.18 -0.17 0.00 0.70 0.00 0.00 55.95 56.26 2jke s SER 218 Cb 0.15 0.17 0.05 0.00 -1.71 0.00 0.00 66.02 64.68 2jke s SER 218 CO 0.58 -0.31 0.52 0.00 1.20 0.00 0.00 173.24 175.23 2jke s GLN 219 N 2.26 0.59 -0.37 5.44 -2.07 -1.26 -3.80 119.66 120.46 2jke s GLN 219 Ca 0.05 0.75 0.01 0.00 -1.82 0.00 0.00 55.36 54.34 2jke s GLN 219 Cb -0.15 0.27 0.15 0.00 -1.09 0.00 0.00 33.01 32.19 2jke s GLN 219 CO -0.09 -0.08 0.26 0.99 -1.32 0.00 0.00 175.29 175.04 2jke s THR 220 N 0.41 0.14 0.67 3.63 2.01 -1.26 -4.93 115.64 116.31 2jke s THR 220 Ca -0.01 -1.88 -0.16 0.00 0.31 0.00 0.00 61.69 59.95 2jke s THR 220 Cb -0.04 -1.11 0.00 0.00 0.01 0.00 0.00 72.50 71.37 2jke s THR 220 CO -0.01 -1.02 1.16 -2.84 -0.69 0.00 0.00 174.62 171.22 2jke s PRO 221 N 0.86 2.62 0.00 4.92 0.02 -1.26 -1.16 135.00 141.00 2jke s PRO 221 Ca 0.22 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.84 2jke s PRO 221 Cb -0.16 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.45 2jke s PRO 221 CO -0.04 -1.43 0.00 1.97 -0.33 0.00 0.00 177.00 177.17 2jke n PHE 222 N -2.32 0.00 -3.65 6.54 1.16 -1.22 -4.92 117.46 113.05 2jke n PHE 222 Ca 0.12 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.55 2jke n PHE 222 Cb 0.51 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.30 2jke n PHE 222 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2jke s SER 223 N -1.09 -0.51 0.28 5.98 0.15 -1.26 -4.98 113.70 112.27 2jke s SER 223 Ca 0.00 0.75 0.22 0.00 0.70 0.00 0.00 55.95 57.63 2jke s SER 223 Cb 0.00 0.76 1.05 0.00 -1.71 0.00 0.00 66.02 66.12 2jke s SER 223 CO 0.00 -0.38 1.68 1.67 1.20 0.00 0.00 173.24 177.41 2jke n GLN 224 N 1.85 0.17 -0.85 5.44 7.27 -1.26 -2.37 117.38 127.64 2jke n GLN 224 Ca -0.17 0.52 0.05 0.00 0.07 0.00 0.00 57.00 57.47 2jke n GLN 224 Cb 0.56 -1.91 0.13 0.00 2.41 0.00 0.00 30.24 31.44 2jke n GLN 224 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2jke n THR 225 N -2.23 1.31 -3.38 1.69 -2.24 -1.26 -4.00 114.28 104.16 2jke n THR 225 Ca 0.00 -2.21 -0.38 0.00 -2.27 0.00 0.00 64.05 59.19 2jke n THR 225 Cb 0.14 0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.53 2jke n THR 225 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jke s GLY 226 N -2.66 2.48 0.12 3.38 0.00 -1.00 -1.38 107.32 108.26 2jke s GLY 226 Ca 0.34 -0.16 0.04 0.00 0.00 0.00 0.00 44.72 44.93 2jke s GLY 226 CO -0.09 0.48 -0.10 -1.34 0.00 0.00 0.00 173.10 172.05 2jke s VAL 227 N -0.33 1.02 0.58 1.40 -7.23 0.22 -0.40 120.40 115.66 2jke s VAL 227 Ca 0.26 -1.90 -0.03 0.00 -1.81 0.00 0.00 61.98 58.49 2jke s VAL 227 Cb -0.16 -1.66 0.03 0.00 0.56 0.00 0.00 36.38 35.14 2jke s VAL 227 CO 0.13 -0.70 0.85 -1.10 -0.31 0.00 0.00 175.10 173.97 2jke s GLN 228 N -3.44 2.64 0.24 4.82 -0.21 -0.74 -1.25 119.66 121.72 2jke s GLN 228 Ca 0.12 -0.38 0.08 0.00 0.02 0.00 0.00 55.36 55.20 2jke s GLN 228 Cb 0.01 -2.36 -0.04 0.00 1.00 0.00 0.00 33.01 31.62 2jke s GLN 228 CO -0.00 -0.77 0.06 0.95 -2.12 0.00 0.00 175.29 173.40 2jke s THR 229 N -2.91 3.82 0.22 -0.19 -4.23 -1.26 -3.87 115.64 107.21 2jke s THR 229 Ca 0.56 -1.63 -0.30 0.00 -1.18 0.00 0.00 61.69 59.14 2jke s THR 229 Cb -0.10 -3.02 -0.09 0.00 1.34 0.00 0.00 72.50 70.63 2jke s THR 229 CO 0.42 -0.29 1.29 0.00 -0.54 0.00 0.00 174.62 175.49 2jke s ALA 230 N -2.11 3.51 -0.17 3.99 0.00 -1.26 -4.96 121.76 120.76 2jke s ALA 230 Ca 0.31 1.10 -0.07 0.00 0.00 0.00 0.00 51.96 53.30 2jke s ALA 230 Cb -0.08 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 2jke s ALA 230 CO 0.21 -0.52 0.08 -1.17 0.00 0.00 0.00 175.76 174.36 2jke s LEU 231 N -0.40 3.95 -0.10 0.00 2.96 -0.23 -4.66 118.68 120.19 2jke s LEU 231 Ca 0.55 0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 54.62 2jke s LEU 231 Cb -0.36 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 2jke s LEU 231 CO 0.40 0.23 -0.06 -0.32 -1.32 0.00 0.00 176.35 175.28 2jke s MET 232 N 0.04 3.10 0.09 1.98 -2.45 -1.23 -1.15 119.30 119.68 2jke s MET 232 Ca 0.07 -0.55 0.03 0.00 -1.25 0.00 0.00 55.69 53.99 2jke s MET 232 Cb -0.12 -2.70 -0.04 0.00 1.25 0.00 0.00 34.83 33.22 2jke s MET 232 CO 0.00 0.49 -0.09 -1.64 1.05 0.00 0.00 175.02 174.84 2jke s MET 233 N -0.35 0.80 -0.09 4.11 -1.94 0.10 -0.93 119.30 121.01 2jke s MET 233 Ca 0.05 -1.13 0.02 0.00 -1.71 0.00 0.00 55.69 52.92 2jke s MET 233 Cb -0.12 -0.44 0.01 0.00 2.01 0.00 0.00 34.83 36.29 2jke s MET 233 CO 0.02 0.06 -0.13 0.21 -0.01 0.00 0.00 175.02 175.17 2jke s LYS 234 N -2.78 1.93 0.25 2.03 2.20 0.01 -1.36 119.74 122.02 2jke s LYS 234 Ca 0.04 -0.47 0.03 0.00 -0.36 0.00 0.00 55.97 55.21 2jke s LYS 234 Cb -0.03 -1.63 -0.03 0.00 -1.51 0.00 0.00 37.83 34.63 2jke s LYS 234 CO -0.01 -0.02 0.40 0.95 -0.36 0.00 0.00 175.35 176.31 2jke s THR 235 N 0.85 5.22 0.41 3.43 -4.23 0.22 -1.80 115.64 119.75 2jke s THR 235 Ca -0.10 -0.76 0.24 0.00 -1.18 0.00 0.00 61.69 59.89 2jke s THR 235 Cb -0.15 -3.83 0.26 0.00 1.34 0.00 0.00 72.50 70.12 2jke s THR 235 CO 0.01 -0.34 2.04 0.44 -0.54 0.00 0.00 174.62 176.23 2jke h ASP 236 N 1.28 0.00 -0.59 3.99 5.19 -1.92 -2.47 116.42 121.90 2jke h ASP 236 Ca -0.51 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 55.77 2jke h ASP 236 Cb 1.22 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.65 2jke h ASP 236 CO 0.63 0.15 0.17 -0.90 -3.12 0.00 0.00 179.24 176.16 2jke n ASP 237 N -3.77 4.55 0.00 6.45 5.75 -1.26 -4.91 116.55 123.36 2jke n ASP 237 Ca -0.02 -2.95 0.00 0.00 -0.01 0.00 0.00 54.79 51.81 2jke n ASP 237 Cb 0.25 -0.70 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 2jke n ASP 237 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jke n GLY 238 N 0.08 0.68 3.90 6.12 0.00 -0.93 -5.06 105.19 109.99 2jke n GLY 238 Ca 0.32 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 2jke n GLY 238 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jke s LEU 239 N 0.00 4.13 -0.12 0.99 1.43 -1.26 -4.46 118.68 119.40 2jke s LEU 239 Ca 0.00 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 2jke s LEU 239 Cb 0.00 -2.70 -0.00 0.00 0.03 0.00 0.00 46.19 43.52 2jke s LEU 239 CO 0.00 0.01 -0.19 -0.31 0.23 0.00 0.00 176.35 176.08 2jke s TYR 240 N -1.87 2.68 -0.07 0.29 2.02 0.36 -0.61 117.35 120.15 2jke s TYR 240 Ca 0.33 -0.95 0.02 0.00 -0.37 0.00 0.00 57.07 56.10 2jke s TYR 240 Cb -0.10 -1.78 0.02 0.00 -0.40 0.00 0.00 41.96 39.69 2jke s TYR 240 CO 0.27 -0.38 -0.11 0.42 -1.57 0.00 0.00 175.55 174.18 2jke s ILE 241 N 0.45 1.08 -0.13 2.71 1.01 -0.47 -1.94 121.20 123.91 2jke s ILE 241 Ca -0.14 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.12 2jke s ILE 241 Cb -0.17 -1.01 0.00 0.00 0.01 0.00 0.00 42.46 41.30 2jke s ILE 241 CO 0.06 0.35 -0.22 0.21 0.00 0.00 0.00 174.94 175.34 2jke s ASN 242 N 0.85 3.20 -0.16 3.58 3.84 0.22 0.03 114.94 126.49 2jke s ASN 242 Ca -0.11 -0.57 -0.03 0.00 0.21 0.00 0.00 52.86 52.37 2jke s ASN 242 Cb -0.15 -1.45 -0.02 0.00 -0.55 0.00 0.00 41.25 39.08 2jke s ASN 242 CO 0.02 0.11 -0.07 -0.76 -2.79 0.00 0.00 177.10 173.61 2jke s LEU 243 N 0.65 3.02 0.00 3.21 1.43 -0.30 -0.91 118.68 125.78 2jke s LEU 243 Ca -0.11 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2jke s LEU 243 Cb -0.16 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.34 2jke s LEU 243 CO 0.02 0.14 0.00 1.57 0.23 0.00 0.00 176.35 178.31 2jke n HIS 244 N 3.74 -0.79 -4.11 0.29 -0.00 -0.71 -1.07 115.22 112.59 2jke n HIS 244 Ca -0.18 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 57.91 2jke n HIS 244 Cb 0.52 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.30 2jke n HIS 244 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 2jke s GLU 245 N -1.46 0.88 0.01 1.57 -1.05 -1.26 -1.01 118.70 116.37 2jke s GLU 245 Ca 0.00 -1.35 0.00 0.00 -0.15 0.00 0.00 54.97 53.48 2jke s GLU 245 Cb 0.00 0.25 -0.01 0.00 -0.44 0.00 0.00 34.13 33.94 2jke s GLU 245 CO 0.00 -0.24 -0.02 0.00 0.95 0.00 0.00 175.26 175.95 2jke s ALA 246 N -4.00 0.10 -0.83 -0.84 0.00 -0.48 -4.75 121.76 110.96 2jke s ALA 246 Ca 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 51.96 51.96 2jke s ALA 246 Cb 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 2jke s ALA 246 CO -0.02 -0.02 0.70 0.00 0.00 0.00 0.00 175.76 176.43 2jke n ALA 247 N 2.71 -1.62 -2.28 0.00 0.00 -0.66 -1.28 120.51 117.37 2jke n ALA 247 Ca -0.15 0.01 -0.34 0.00 0.00 0.00 0.00 53.44 52.96 2jke n ALA 247 Cb 0.59 -2.74 -0.04 0.00 0.00 0.00 0.00 19.45 17.26 2jke n ALA 247 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2jke s LEU 248 N -5.00 3.34 -0.04 0.00 2.96 -1.26 -4.40 118.68 114.28 2jke s LEU 248 Ca 0.12 -1.34 0.02 0.00 -0.22 0.00 0.00 54.13 52.71 2jke s LEU 248 Cb -0.02 -2.57 0.01 0.00 0.50 0.00 0.00 46.19 44.12 2jke s LEU 248 CO 0.53 -2.20 -0.08 -0.69 -1.32 0.00 0.00 176.35 172.59 2jke s VAL 249 N 7.85 0.76 -1.38 1.68 1.01 -1.26 -4.83 120.40 124.24 2jke s VAL 249 Ca 0.60 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 2jke s VAL 249 Cb -0.02 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.67 2jke s VAL 249 CO 0.00 0.26 0.75 0.47 0.00 0.00 0.00 175.10 176.58 2jke n ASP 250 N 3.66 -2.03 -3.50 3.32 8.00 -1.26 -4.79 116.55 119.95 2jke n ASP 250 Ca -0.22 -0.83 -0.09 0.00 0.71 0.00 0.00 54.79 54.37 2jke n ASP 250 Cb 0.53 -3.92 -0.02 0.00 -0.02 0.00 0.00 41.12 37.69 2jke n ASP 250 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2jke s TYR 251 N -3.60 -0.36 0.22 1.24 5.04 -1.26 -4.96 117.35 113.67 2jke s TYR 251 Ca 0.18 0.23 -0.19 0.00 -2.44 0.00 0.00 57.07 54.84 2jke s TYR 251 Cb -0.09 0.54 -0.08 0.00 0.35 0.00 0.00 41.96 42.68 2jke s TYR 251 CO 0.82 -0.57 0.72 0.45 -1.34 0.00 0.00 175.55 175.63 2jke s SER 252 N -2.49 7.03 0.31 4.32 0.15 -1.26 -4.15 113.70 117.61 2jke s SER 252 Ca 0.05 1.40 -0.29 0.00 0.70 0.00 0.00 55.95 57.80 2jke s SER 252 Cb -0.01 -2.41 -0.11 0.00 -1.71 0.00 0.00 66.02 61.78 2jke s SER 252 CO -0.09 0.02 1.54 0.00 1.20 0.00 0.00 173.24 175.91 2jke s MET 254 N -0.96 4.35 0.54 0.00 1.75 -1.26 -1.96 119.30 121.76 2jke s MET 254 Ca 0.60 0.53 0.04 0.00 -1.25 0.00 0.00 55.69 55.61 2jke s MET 254 Cb -0.47 -3.45 0.04 0.00 2.84 0.00 0.00 34.83 33.80 2jke s MET 254 CO 0.52 0.12 0.33 0.72 -0.65 0.00 0.00 175.02 176.06 2jke n HIS 255 N 3.77 -0.26 -4.90 4.11 8.25 -0.27 -4.46 115.22 121.46 2jke n HIS 255 Ca -0.06 -2.36 -0.27 0.00 -0.26 0.00 0.00 57.72 54.77 2jke n HIS 255 Cb 0.51 -0.43 -0.16 0.00 1.12 0.00 0.00 29.99 31.03 2jke n HIS 255 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2jke s LEU 256 N 0.00 1.92 -0.17 2.41 1.43 -0.38 -0.74 118.68 123.15 2jke s LEU 256 Ca 0.25 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.94 2jke s LEU 256 Cb -0.02 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 45.13 2jke s LEU 256 CO 0.16 0.15 -0.07 0.21 0.23 0.00 0.00 176.35 177.03 2jke s ASN 257 N 0.13 4.35 -0.19 2.29 2.47 -0.15 -0.61 114.94 123.23 2jke s ASN 257 Ca -0.07 -0.29 -0.17 0.00 0.42 0.00 0.00 52.86 52.75 2jke s ASN 257 Cb -0.13 -1.71 -0.04 0.00 -1.45 0.00 0.00 41.25 37.92 2jke s ASN 257 CO 0.03 0.10 0.46 -0.22 -3.72 0.00 0.00 177.10 173.75 2jke s LEU 258 N 0.75 4.17 -0.61 3.21 2.96 -0.48 -0.68 118.68 128.00 2jke s LEU 258 Ca -0.03 0.62 -0.25 0.00 -0.22 0.00 0.00 54.13 54.25 2jke s LEU 258 Cb -0.15 -2.62 0.04 0.00 0.50 0.00 0.00 46.19 43.97 2jke s LEU 258 CO 0.02 -0.11 1.06 -0.62 -1.32 0.00 0.00 176.35 175.38 2jke s ASP 259 N 1.02 6.30 -0.00 3.68 -1.08 0.30 -4.77 116.67 122.12 2jke s ASP 259 Ca 0.22 -0.40 0.11 0.00 -0.52 0.00 0.00 52.55 51.96 2jke s ASP 259 Cb -0.15 -2.48 0.33 0.00 -1.46 0.00 0.00 42.92 39.16 2jke s ASP 259 CO 0.09 -1.43 1.27 -0.90 0.52 0.00 0.00 175.17 174.71 2jke n ASP 260 N 8.06 2.00 -0.06 -0.34 5.75 -1.26 -0.68 116.55 130.02 2jke n ASP 260 Ca 0.02 -2.01 -0.10 0.00 -0.01 0.00 0.00 54.79 52.70 2jke n ASP 260 Cb 0.48 -0.25 -0.15 0.00 -1.03 0.00 0.00 41.12 40.16 2jke n ASP 260 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2jke n LYS 261 N 0.58 0.66 0.00 0.11 5.02 -1.26 -4.52 118.16 118.74 2jke n LYS 261 Ca 0.12 0.14 0.01 0.00 -2.02 0.00 0.00 58.31 56.56 2jke n LYS 261 Cb 0.32 -1.65 0.01 0.00 -0.02 0.00 0.00 35.03 33.69 2jke n LYS 261 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2jke n ASN 262 N -2.91 1.04 -3.62 4.39 5.03 -1.19 -5.02 115.26 112.98 2jke n ASN 262 Ca -0.26 -1.02 -0.21 0.00 0.87 0.00 0.00 54.58 53.96 2jke n ASN 262 Cb 1.10 0.08 0.05 0.00 -1.02 0.00 0.00 39.78 39.99 2jke n ASN 262 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 2jke n MET 263 N -0.00 -4.66 -4.58 3.52 2.81 0.15 -4.75 117.12 109.61 2jke n MET 263 Ca 0.01 0.66 -0.33 0.00 -1.81 0.00 0.00 57.70 56.23 2jke n MET 263 Cb 0.04 -5.25 -0.16 0.00 -0.71 0.00 0.00 33.22 27.13 2jke n MET 263 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2jke s VAL 264 N -3.58 2.13 0.20 2.03 1.01 -0.96 -0.88 120.40 120.34 2jke s VAL 264 Ca 0.08 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 60.94 2jke s VAL 264 Cb -0.02 -1.86 -0.08 0.00 0.00 0.00 0.00 36.38 34.42 2jke s VAL 264 CO 0.80 0.54 0.65 -0.36 0.00 0.00 0.00 175.10 176.73 2jke s PHE 265 N 0.88 3.60 -0.00 5.22 0.40 -0.63 -0.54 117.98 126.91 2jke s PHE 265 Ca -0.05 1.22 0.03 0.00 -0.60 0.00 0.00 56.93 57.53 2jke s PHE 265 Cb -0.15 -2.50 -0.01 0.00 0.51 0.00 0.00 43.02 40.87 2jke s PHE 265 CO -0.03 0.35 -0.09 -2.00 0.70 0.00 0.00 175.22 174.15 2jke s GLU 266 N -2.08 0.72 0.15 0.44 2.12 0.15 -0.62 118.70 119.58 2jke s GLU 266 Ca 0.42 -0.37 -0.34 0.00 0.36 0.00 0.00 54.97 55.04 2jke s GLU 266 Cb -0.15 -0.69 -0.15 0.00 0.26 0.00 0.00 34.13 33.39 2jke s GLU 266 CO 0.20 0.19 1.31 -1.13 -0.54 0.00 0.00 175.26 175.29 2jke n SER 267 N 2.72 1.87 -3.74 -1.70 3.41 -0.03 -0.98 113.62 115.17 2jke n SER 267 Ca -0.14 1.13 -0.29 0.00 -0.26 0.00 0.00 58.87 59.31 2jke n SER 267 Cb 0.57 -1.27 -0.16 0.00 -0.26 0.00 0.00 64.21 63.09 2jke n SER 267 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2jke s TRP 268 N 0.19 1.39 0.68 7.33 -0.11 0.08 -4.66 118.94 123.83 2jke s TRP 268 Ca 0.77 -1.31 -0.11 0.00 1.22 0.00 0.00 56.10 56.67 2jke s TRP 268 Cb -0.83 -1.36 0.00 0.00 -1.50 0.00 0.00 33.47 29.78 2jke s TRP 268 CO 0.48 -0.75 1.07 -0.51 -4.62 0.00 0.00 176.95 172.62 2jke s LEU 269 N 1.73 3.01 -0.14 5.86 1.43 -1.26 -1.11 118.68 128.19 2jke s LEU 269 Ca 0.04 1.18 -0.23 0.00 -1.03 0.00 0.00 54.13 54.08 2jke s LEU 269 Cb -0.17 -4.04 -0.03 0.00 0.03 0.00 0.00 46.19 41.99 2jke s LEU 269 CO -0.17 -1.20 0.73 -0.89 0.23 0.00 0.00 176.35 175.04 2jke s THR 270 N -3.29 4.98 0.50 5.49 2.01 -0.83 -4.91 115.64 119.59 2jke s THR 270 Ca 0.57 1.43 -0.19 0.00 0.31 0.00 0.00 61.69 63.82 2jke s THR 270 Cb -0.11 -4.05 -0.08 0.00 0.01 0.00 0.00 72.50 68.28 2jke s THR 270 CO 0.52 0.13 1.01 -2.16 -0.69 0.00 0.00 174.62 173.43 2jke s PRO 271 N 1.63 3.83 0.27 4.92 0.04 -1.26 -4.60 135.00 139.83 2jke s PRO 271 Ca 0.35 1.19 -0.04 0.00 0.04 0.00 0.00 61.00 62.54 2jke s PRO 271 Cb -0.17 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.32 2jke s PRO 271 CO 0.14 -0.38 0.37 -0.40 0.04 0.00 0.00 177.00 176.76 2jke n ASP 272 N -1.23 0.11 0.28 6.66 5.68 0.58 -4.54 116.55 124.09 2jke n ASP 272 Ca 0.08 -1.18 0.19 0.00 -0.50 0.00 0.00 54.79 53.37 2jke n ASP 272 Cb 0.53 -0.27 0.91 0.00 -1.14 0.00 0.00 41.12 41.15 2jke n ASP 272 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jke h ALA 273 N -1.61 1.00 -0.07 2.12 0.00 -1.89 -0.72 119.26 118.09 2jke h ALA 273 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2jke h ALA 273 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2jke h ALA 273 CO 0.09 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.97 2jke n LYS 274 N -2.89 1.61 -0.28 0.00 5.02 -1.26 -4.97 118.16 115.38 2jke n LYS 274 Ca -0.01 -1.64 0.00 0.00 -2.02 0.00 0.00 58.31 54.63 2jke n LYS 274 Cb 0.15 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 2jke n LYS 274 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jke n GLY 275 N 1.02 0.67 3.90 0.72 0.00 -0.28 -5.08 105.19 106.15 2jke n GLY 275 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 2jke n GLY 275 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jke s ASP 276 N -2.86 5.69 -0.20 1.61 1.01 -1.26 -4.60 116.67 116.04 2jke s ASP 276 Ca 0.00 0.89 0.16 0.00 0.71 0.00 0.00 52.55 54.31 2jke s ASP 276 Cb 0.00 -1.88 0.46 0.00 1.01 0.00 0.00 42.92 42.50 2jke s ASP 276 CO 0.00 -1.05 1.17 0.29 0.21 0.00 0.00 175.17 175.79 2jke n LYS 277 N -2.66 1.91 0.00 8.23 5.02 0.10 -0.31 118.16 130.46 2jke n LYS 277 Ca 0.05 -3.35 0.00 0.00 -2.02 0.00 0.00 58.31 52.99 2jke n LYS 277 Cb 0.57 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 2jke n LYS 277 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jke n GLY 278 N -0.54 4.35 3.58 0.72 0.00 -1.24 -4.58 105.19 107.47 2jke n GLY 278 Ca 0.21 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 2jke n GLY 278 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jke s TYR 279 N -0.24 3.23 0.12 1.61 1.51 -1.26 -0.72 117.35 121.59 2jke s TYR 279 Ca 0.00 0.18 0.09 0.00 -1.01 0.00 0.00 57.07 56.33 2jke s TYR 279 Cb 0.00 -2.57 -0.04 0.00 -0.11 0.00 0.00 41.96 39.24 2jke s TYR 279 CO 0.00 -0.29 -0.17 -1.64 -1.11 0.00 0.00 175.55 172.33 2jke s MET 280 N 1.98 1.81 -0.09 -0.62 -1.94 0.26 -4.97 119.30 115.73 2jke s MET 280 Ca 0.12 -1.17 -0.03 0.00 -1.71 0.00 0.00 55.69 52.89 2jke s MET 280 Cb -0.16 -2.13 0.05 0.00 2.01 0.00 0.00 34.83 34.60 2jke s MET 280 CO 0.11 0.48 0.16 -1.14 -0.01 0.00 0.00 175.02 174.62 2jke s GLN 281 N -2.16 0.04 0.59 2.03 0.74 -1.26 -1.78 119.66 117.86 2jke s GLN 281 Ca 0.18 0.52 -0.18 0.00 0.05 0.00 0.00 55.36 55.94 2jke s GLN 281 Cb -0.11 -0.38 -0.04 0.00 1.10 0.00 0.00 33.01 33.59 2jke s GLN 281 CO 0.10 -0.34 1.12 0.95 -0.55 0.00 0.00 175.29 176.57 2jke s THR 282 N 2.29 3.23 0.26 -0.34 -4.23 -0.32 -3.81 115.64 112.72 2jke s THR 282 Ca 0.03 0.68 -0.29 0.00 -1.18 0.00 0.00 61.69 60.93 2jke s THR 282 Cb -0.12 -3.22 -0.09 0.00 1.34 0.00 0.00 72.50 70.40 2jke s THR 282 CO -0.06 -0.25 1.18 -2.16 -0.54 0.00 0.00 174.62 172.79 2jke s PRO 283 N -3.63 4.53 0.22 3.99 0.04 -1.26 -4.73 135.00 134.16 2jke s PRO 283 Ca 0.70 1.91 -0.18 0.00 0.04 0.00 0.00 61.00 63.48 2jke s PRO 283 Cb -0.22 -3.18 0.02 0.00 0.04 0.00 0.00 34.50 31.16 2jke s PRO 283 CO 0.33 0.03 0.56 0.00 0.04 0.00 0.00 177.00 177.96 2jke s ASN 285 N -2.90 0.36 0.79 0.00 2.20 -1.26 -0.46 114.94 113.67 2jke s ASN 285 Ca 0.11 -0.80 -0.11 0.00 -0.94 0.00 0.00 52.86 51.12 2jke s ASN 285 Cb -0.02 0.19 0.06 0.00 -2.00 0.00 0.00 41.25 39.49 2jke s ASN 285 CO 0.01 -0.53 1.09 0.42 -2.94 0.00 0.00 177.10 175.15 2jke s THR 286 N -3.19 3.15 1.01 0.54 -4.23 -0.17 -4.99 115.64 107.76 2jke s THR 286 Ca 0.00 0.37 -0.11 0.00 -1.18 0.00 0.00 61.69 60.77 2jke s THR 286 Cb 0.03 -3.12 0.20 0.00 1.34 0.00 0.00 72.50 70.94 2jke s THR 286 CO -0.07 -0.49 1.09 -2.84 -0.54 0.00 0.00 174.62 171.77 2jke s PRO 287 N -5.15 0.28 0.48 3.99 0.02 -1.26 -4.63 135.00 128.73 2jke s PRO 287 Ca 0.60 1.19 -0.20 0.00 0.02 0.00 0.00 61.00 62.61 2jke s PRO 287 Cb -0.14 -1.67 -0.09 0.00 0.02 0.00 0.00 34.50 32.62 2jke s PRO 287 CO 0.54 -3.02 1.04 -1.58 -0.33 0.00 0.00 177.00 173.65 2jke s TRP 288 N -2.60 3.01 -0.10 6.54 0.52 -0.40 -4.62 118.94 121.28 2jke s TRP 288 Ca 0.67 1.58 0.01 0.00 0.02 0.00 0.00 56.10 58.38 2jke s TRP 288 Cb -0.23 -3.07 -0.02 0.00 -1.15 0.00 0.00 33.47 29.00 2jke s TRP 288 CO 0.60 -0.82 -0.11 1.03 0.02 0.00 0.00 176.95 177.67 2jke s ARG 289 N -3.20 3.02 -0.03 4.98 3.00 0.13 -1.39 118.95 125.46 2jke s ARG 289 Ca 0.67 -0.65 0.05 0.00 0.00 0.00 0.00 55.73 55.80 2jke s ARG 289 Cb -0.16 -2.57 -0.01 0.00 0.00 0.00 0.00 34.95 32.20 2jke s ARG 289 CO 0.20 0.43 -0.18 0.95 0.00 0.00 0.00 175.30 176.69 2jke s THR 290 N -0.20 1.50 -0.27 0.02 -4.23 -0.18 -1.14 115.64 111.14 2jke s THR 290 Ca 0.01 -0.78 0.03 0.00 -1.18 0.00 0.00 61.69 59.77 2jke s THR 290 Cb -0.13 -1.27 0.06 0.00 1.34 0.00 0.00 72.50 72.50 2jke s THR 290 CO 0.03 0.43 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.81 2jke s ILE 291 N -0.18 2.18 -0.21 2.99 1.09 0.32 -1.73 121.20 125.65 2jke s ILE 291 Ca 0.01 -1.69 -0.09 0.00 -1.10 0.00 0.00 60.65 57.78 2jke s ILE 291 Cb -0.10 -2.31 -0.04 0.00 -1.06 0.00 0.00 42.46 38.95 2jke s ILE 291 CO 0.01 -0.08 0.11 -0.63 -0.10 0.00 0.00 174.94 174.25 2jke s ILE 292 N 1.09 5.04 -0.03 2.92 1.01 -0.09 -0.32 121.20 130.81 2jke s ILE 292 Ca -0.07 0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.60 2jke s ILE 292 Cb -0.20 -3.31 0.01 0.00 0.01 0.00 0.00 42.46 38.96 2jke s ILE 292 CO -0.05 0.40 0.10 0.54 0.00 0.00 0.00 174.94 175.93 2jke s VAL 293 N 0.77 0.01 0.16 2.92 0.11 -0.49 -0.61 120.40 123.27 2jke s VAL 293 Ca 0.06 -0.09 -0.21 0.00 -2.93 0.00 0.00 61.98 58.81 2jke s VAL 293 Cb -0.13 -0.17 0.06 0.00 -1.53 0.00 0.00 36.38 34.61 2jke s VAL 293 CO 0.02 -0.05 0.56 -0.55 -3.33 0.00 0.00 175.10 171.75 2jke s SER 294 N -0.11 -0.47 -0.02 3.54 0.15 -0.82 -4.53 113.70 111.43 2jke s SER 294 Ca -0.02 -0.11 0.12 0.00 0.70 0.00 0.00 55.95 56.65 2jke s SER 294 Cb -0.02 0.58 0.38 0.00 -1.71 0.00 0.00 66.02 65.25 2jke s SER 294 CO 0.00 -0.96 1.30 -0.90 1.20 0.00 0.00 173.24 173.88 2jke n ASP 295 N -0.35 2.43 -3.82 5.45 5.68 -1.26 -0.48 116.55 124.20 2jke n ASP 295 Ca -0.16 -2.07 -0.27 0.00 -0.50 0.00 0.00 54.79 51.79 2jke n ASP 295 Cb 0.64 -0.32 -0.17 0.00 -1.14 0.00 0.00 41.12 40.13 2jke n ASP 295 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2jke s ASP 296 N -0.93 2.56 0.53 -1.12 -1.08 -1.26 -4.87 116.67 110.49 2jke s ASP 296 Ca 0.28 -0.57 0.20 0.00 -0.52 0.00 0.00 52.55 51.95 2jke s ASP 296 Cb 0.16 -0.72 1.39 0.00 -1.46 0.00 0.00 42.92 42.29 2jke s ASP 296 CO 0.18 -0.22 2.15 0.00 0.52 0.00 0.00 175.17 177.80 2jke h ALA 297 N 8.20 1.78 -0.28 3.66 0.00 -1.85 -0.12 119.26 130.64 2jke h ALA 297 Ca -0.21 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.72 2jke h ALA 297 Cb 1.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2jke h ALA 297 CO 0.35 0.04 0.19 0.00 0.00 0.00 0.00 179.25 179.84 2jke h ARG 298 N 0.00 0.15 0.00 0.00 3.08 -1.94 -2.17 114.38 113.50 2jke h ARG 298 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2jke h ARG 298 Cb 0.07 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2jke h ARG 298 CO 0.00 0.10 0.00 -0.91 -1.07 0.00 0.00 179.97 178.09 2jke h ASN 299 N 0.15 0.00 -0.24 7.04 2.35 -1.42 -1.88 115.58 121.58 2jke h ASN 299 Ca 0.13 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 2jke h ASN 299 Cb 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 2jke h ASN 299 CO -0.02 0.00 -0.01 0.40 -1.65 0.00 0.00 177.43 176.15 2jke h ILE 300 N 0.00 1.26 -0.29 2.81 1.08 -1.47 -2.36 117.51 118.55 2jke h ILE 300 Ca 0.00 -0.93 -0.04 0.00 -0.39 0.00 0.00 64.86 63.49 2jke h ILE 300 Cb 0.70 1.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.83 2jke h ILE 300 CO 0.00 0.29 -0.01 -0.07 -0.69 0.00 0.00 178.15 177.67 2jke h LEU 301 N 0.20 0.41 -0.03 1.44 3.38 -1.46 -2.55 115.31 116.70 2jke h LEU 301 Ca 0.07 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jke h LEU 301 Cb 0.43 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2jke h LEU 301 CO 0.01 0.49 0.00 0.00 0.09 0.00 0.00 178.44 179.03 2jke n ALA 302 N -2.48 2.26 -1.86 1.53 0.00 -0.75 -4.87 120.51 114.34 2jke n ALA 302 Ca 0.01 -0.04 -0.41 0.00 0.00 0.00 0.00 53.44 53.00 2jke n ALA 302 Cb 0.23 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 2jke n ALA 302 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jke s SER 303 N -4.04 6.65 -0.21 0.00 0.15 -0.90 -4.90 113.70 110.44 2jke s SER 303 Ca 0.11 2.69 0.13 0.00 0.70 0.00 0.00 55.95 59.59 2jke s SER 303 Cb 0.14 -2.63 0.45 0.00 -1.71 0.00 0.00 66.02 62.27 2jke s SER 303 CO 0.56 -0.69 1.34 0.54 1.20 0.00 0.00 173.24 176.19 2jke n ARG 304 N 2.07 1.92 -0.20 5.44 5.12 -1.26 -4.76 116.66 124.99 2jke n ARG 304 Ca 0.06 -3.00 -0.02 0.00 -1.93 0.00 0.00 57.85 52.96 2jke n ARG 304 Cb 0.40 -1.72 0.09 0.00 -1.16 0.00 0.00 32.46 30.07 2jke n ARG 304 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2jke h ILE 305 N 0.97 0.87 0.30 0.55 2.04 -1.96 -0.18 117.51 120.11 2jke h ILE 305 Ca 0.08 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2jke h ILE 305 Cb 1.34 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2jke h ILE 305 CO 0.19 0.09 -0.15 0.74 0.00 0.00 0.00 178.15 179.02 2jke h THR 306 N 0.50 0.70 -0.98 -0.27 2.02 -1.93 -1.18 112.91 111.77 2jke h THR 306 Ca 0.28 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.44 2jke h THR 306 Cb 0.26 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 2jke h THR 306 CO -0.23 0.01 0.64 -0.07 0.37 0.00 0.00 175.52 176.24 2jke h LEU 307 N -0.42 1.13 -1.80 2.58 3.38 -1.83 -2.86 115.31 115.49 2jke h LEU 307 Ca -0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2jke h LEU 307 Cb 0.32 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2jke h LEU 307 CO 0.07 0.82 -0.11 0.78 0.09 0.00 0.00 178.44 180.09 2jke h ASN 308 N 1.33 0.00 -0.01 -0.43 -0.26 -0.49 -1.90 115.58 113.82 2jke h ASN 308 Ca 0.36 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.10 2jke h ASN 308 Cb -0.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.12 2jke h ASN 308 CO -0.08 0.11 0.00 0.18 -1.06 0.00 0.00 177.43 176.58 2jke n LEU 309 N -4.37 0.85 -4.90 1.61 4.77 -0.50 -4.87 117.00 109.59 2jke n LEU 309 Ca -0.03 -0.29 -0.28 0.00 -0.03 0.00 0.00 56.01 55.38 2jke n LEU 309 Cb 0.18 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 2jke n LEU 309 CO 0.35 0.14 0.29 0.20 -1.33 0.00 0.00 177.39 177.05 2jke s ASN 310 N -1.97 6.41 0.49 -1.43 0.01 -0.72 -4.77 114.94 112.96 2jke s ASN 310 Ca 0.42 0.81 -0.23 0.00 -0.71 0.00 0.00 52.86 53.14 2jke s ASN 310 Cb 0.21 -2.19 -0.06 0.00 0.41 0.00 0.00 41.25 39.62 2jke s ASN 310 CO 0.34 -0.31 1.29 -1.61 -1.51 0.00 0.00 177.10 175.30 2jke s GLU 311 N -3.90 3.48 0.87 -0.60 0.41 -1.26 -4.94 118.70 112.76 2jke s GLU 311 Ca 0.46 2.09 -0.11 0.00 -0.41 0.00 0.00 54.97 57.00 2jke s GLU 311 Cb -0.10 -2.40 0.12 0.00 -1.78 0.00 0.00 34.13 29.97 2jke s GLU 311 CO 0.33 -0.87 1.16 -2.14 -0.49 0.00 0.00 175.26 173.26 2jke s PRO 312 N -2.72 1.25 0.02 0.39 0.02 -1.26 -3.24 135.00 129.47 2jke s PRO 312 Ca 0.66 1.61 -0.39 0.00 0.02 0.00 0.00 61.00 62.90 2jke s PRO 312 Cb -0.37 -1.75 -0.18 0.00 0.02 0.00 0.00 34.50 32.22 2jke s PRO 312 CO 0.44 -2.47 1.24 0.00 -0.33 0.00 0.00 177.00 175.88 2jke n LYS 314 N 2.20 1.44 -3.32 0.00 5.02 0.19 -4.80 118.16 118.89 2jke n LYS 314 Ca 0.20 -1.57 -0.46 0.00 -2.02 0.00 0.00 58.31 54.45 2jke n LYS 314 Cb 0.13 -1.30 -0.04 0.00 -0.02 0.00 0.00 35.03 33.80 2jke n LYS 314 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jke s ILE 315 N -1.21 5.35 0.44 -0.18 1.01 -1.26 -4.94 121.20 120.41 2jke s ILE 315 Ca 0.20 -1.89 0.10 0.00 0.00 0.00 0.00 60.65 59.06 2jke s ILE 315 Cb 0.13 -4.38 0.25 0.00 0.01 0.00 0.00 42.46 38.47 2jke s ILE 315 CO 0.19 -0.93 2.06 0.00 0.00 0.00 0.00 174.94 176.27 2jke h ALA 316 N 8.44 1.76 -0.53 9.38 0.00 -1.97 -2.09 119.26 134.25 2jke h ALA 316 Ca -0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2jke h ALA 316 Cb 1.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2jke h ALA 316 CO 0.92 0.20 0.02 -0.40 0.00 0.00 0.00 179.25 180.00 2jke n ASP 317 N -4.46 5.33 -0.34 0.00 5.75 -1.26 -4.70 116.55 116.87 2jke n ASP 317 Ca 0.01 -2.98 0.01 0.00 -0.01 0.00 0.00 54.79 51.81 2jke n ASP 317 Cb 0.10 -0.67 0.15 0.00 -1.03 0.00 0.00 41.12 39.67 2jke n ASP 317 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jke h ALA 318 N 3.47 1.26 -0.27 2.12 0.00 -1.80 -0.42 119.26 123.62 2jke h ALA 318 Ca 0.02 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2jke h ALA 318 Cb 1.92 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2jke h ALA 318 CO 0.46 0.37 0.26 0.00 0.00 0.00 0.00 179.25 180.35 2jke h ALA 319 N 1.42 1.99 0.00 0.00 0.00 -1.85 -0.22 119.26 120.60 2jke h ALA 319 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2jke h ALA 319 Cb 0.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2jke h ALA 319 CO -0.16 -0.40 0.00 0.66 0.00 0.00 0.00 179.25 179.34 2jke h SER 320 N 0.00 0.00 0.00 0.00 4.64 -1.45 -3.40 113.55 113.34 2jke h SER 320 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2jke h SER 320 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2jke h SER 320 CO -0.00 0.00 -0.23 -2.67 -0.87 0.00 0.00 176.83 173.06 2jke n TRP 321 N -2.93 0.00 -2.40 4.77 4.27 -0.75 -5.03 117.44 115.37 2jke n TRP 321 Ca 0.04 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.23 2jke n TRP 321 Cb 0.50 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.43 2jke n TRP 321 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 2jke s VAL 322 N -0.76 4.15 -0.01 -1.67 1.01 -0.17 -5.01 120.40 117.95 2jke s VAL 322 Ca 0.00 1.47 -0.05 0.00 0.00 0.00 0.00 61.98 63.39 2jke s VAL 322 Cb 0.00 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2jke s VAL 322 CO 0.00 -0.04 0.10 -0.54 0.00 0.00 0.00 175.10 174.62 2jke s LYS 323 N 2.67 0.36 0.77 2.72 -0.14 -1.26 -4.81 119.74 120.05 2jke s LYS 323 Ca 0.57 -0.28 -0.13 0.00 -1.36 0.00 0.00 55.97 54.77 2jke s LYS 323 Cb -0.25 0.15 0.06 0.00 -1.68 0.00 0.00 37.83 36.11 2jke s LYS 323 CO 0.21 -0.08 1.15 -2.14 -0.76 0.00 0.00 175.35 173.73 2jke s PRO 324 N -1.00 2.02 -0.04 -1.68 0.02 -1.26 -5.03 135.00 128.02 2jke s PRO 324 Ca -0.11 1.52 -0.02 0.00 0.02 0.00 0.00 61.00 62.41 2jke s PRO 324 Cb -0.06 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.64 2jke s PRO 324 CO 0.01 -1.88 0.04 0.08 -0.33 0.00 0.00 177.00 174.92 2jke s VAL 325 N -2.40 0.00 -0.18 3.83 1.01 0.15 -5.02 120.40 117.79 2jke s VAL 325 Ca 0.68 0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.92 2jke s VAL 325 Cb -0.23 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 2jke s VAL 325 CO 0.50 0.18 0.08 -0.75 0.00 0.00 0.00 175.10 175.11 2jke s LYS 326 N 1.97 3.96 0.07 2.72 2.20 -1.26 -1.34 119.74 128.06 2jke s LYS 326 Ca 0.03 -0.30 -0.06 0.00 -0.36 0.00 0.00 55.97 55.28 2jke s LYS 326 Cb -0.12 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 32.94 2jke s LYS 326 CO -0.03 0.33 0.10 1.52 -0.36 0.00 0.00 175.35 176.91 2jke s TYR 327 N 0.23 0.29 0.51 4.03 -0.85 -0.17 -0.68 117.35 120.70 2jke s TYR 327 Ca 0.05 -0.75 0.03 0.00 -0.52 0.00 0.00 57.07 55.88 2jke s TYR 327 Cb -0.12 -0.18 -0.00 0.00 0.38 0.00 0.00 41.96 42.04 2jke s TYR 327 CO -0.00 -0.47 0.12 0.96 -1.52 0.00 0.00 175.55 174.64 2jke s ILE 328 N -3.79 1.36 -0.02 -3.49 -4.36 -0.95 -0.92 121.20 109.03 2jke s ILE 328 Ca 0.05 -1.85 -0.29 0.00 -0.26 0.00 0.00 60.65 58.30 2jke s ILE 328 Cb 0.06 -2.21 0.08 0.00 1.25 0.00 0.00 42.46 41.64 2jke s ILE 328 CO -0.10 0.00 0.71 -0.83 0.24 0.00 0.00 174.94 174.96 2jke s GLY 329 N -3.99 -0.55 -0.60 6.27 0.00 -1.26 -0.96 107.32 106.23 2jke s GLY 329 Ca 0.16 1.23 -0.27 0.00 0.00 0.00 0.00 44.72 45.83 2jke s GLY 329 CO 0.09 0.79 1.51 0.14 0.00 0.00 0.00 173.10 175.63 2jke s VAL 330 N -1.73 3.66 0.39 1.40 1.01 0.18 -4.38 120.40 120.92 2jke s VAL 330 Ca -0.07 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2jke s VAL 330 Cb -0.00 -4.39 0.00 0.00 0.00 0.00 0.00 36.38 31.98 2jke s VAL 330 CO 0.04 -1.23 0.00 1.87 0.00 0.00 0.00 175.10 175.78 2jke n TRP 331 N 10.31 -4.35 0.00 5.22 -0.00 -1.26 -2.52 117.44 124.84 2jke n TRP 331 Ca 0.13 1.35 0.04 0.00 -0.00 0.00 0.00 57.50 59.01 2jke n TRP 331 Cb 0.50 3.44 0.42 0.00 -0.00 0.00 0.00 31.31 35.66 2jke n TRP 331 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 177.69 180.04 2jke h TRP 332 N 0.00 0.51 -0.81 5.87 -0.00 -1.77 -0.03 115.95 119.72 2jke h TRP 332 Ca 0.00 0.01 0.16 0.00 -0.00 0.00 0.00 58.89 59.06 2jke h TRP 332 Cb 0.00 -0.17 -0.15 0.00 -0.00 0.00 0.00 29.16 28.83 2jke h TRP 332 CO 0.00 0.34 -0.20 -0.44 -0.00 0.00 0.00 178.44 178.13 2jke h ASP 333 N 0.55 -0.76 0.52 2.65 5.19 -1.92 -1.15 116.42 121.50 2jke h ASP 333 Ca 0.15 0.24 -0.29 0.00 -0.62 0.00 0.00 57.03 56.51 2jke h ASP 333 Cb -0.03 0.51 0.01 0.00 0.18 0.00 0.00 39.33 40.00 2jke h ASP 333 CO -0.03 -0.27 -1.33 0.24 -3.12 0.00 0.00 179.24 174.73 2jke h MET 334 N -0.00 0.35 -0.67 3.56 2.86 -1.17 0.24 114.93 120.09 2jke h MET 334 Ca 0.39 -0.59 -0.03 0.00 -2.06 0.00 0.00 59.70 57.41 2jke h MET 334 Cb 0.59 0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.44 2jke h MET 334 CO -0.84 1.28 0.29 0.82 1.06 0.00 0.00 176.91 179.52 2jke h ILE 335 N 0.09 1.23 0.00 -1.22 1.08 -1.08 -2.42 117.51 115.19 2jke h ILE 335 Ca -0.18 -0.68 0.00 0.00 -0.39 0.00 0.00 64.86 63.62 2jke h ILE 335 Cb 2.03 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 36.18 2jke h ILE 335 CO 0.22 0.28 -0.33 0.71 -0.69 0.00 0.00 178.15 178.34 2jke h THR 336 N 0.96 0.00 0.00 -0.27 1.35 -1.26 -3.47 112.91 110.22 2jke h THR 336 Ca 0.23 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 2jke h THR 336 Cb 0.15 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 2jke h THR 336 CO -0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.86 2jke n GLY 337 N 1.15 0.68 0.29 5.82 0.00 -0.83 -4.68 105.19 107.63 2jke n GLY 337 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 2jke n GLY 337 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jke h LYS 338 N 4.34 1.00 -5.20 1.61 3.64 -1.21 -3.46 116.57 117.29 2jke h LYS 338 Ca 0.00 -0.14 -0.57 0.00 -1.27 0.00 0.00 60.65 58.67 2jke h LYS 338 Cb 0.00 -0.19 -0.13 0.00 -0.41 0.00 0.00 32.23 31.50 2jke h LYS 338 CO 0.00 0.77 -0.55 0.20 -2.27 0.00 0.00 179.45 177.60 2jke s GLY 339 N -3.10 2.54 0.13 5.01 0.00 -0.51 -4.98 107.32 106.41 2jke s GLY 339 Ca -0.13 -1.40 0.10 0.00 0.00 0.00 0.00 44.72 43.29 2jke s GLY 339 CO 0.80 -1.94 -0.21 -0.45 0.00 0.00 0.00 173.10 171.29 2jke s SER 340 N -3.65 3.66 0.20 1.64 0.15 0.47 -4.08 113.70 112.09 2jke s SER 340 Ca 0.25 -0.65 0.05 0.00 0.70 0.00 0.00 55.95 56.30 2jke s SER 340 Cb 0.05 -0.41 0.10 0.00 -1.71 0.00 0.00 66.02 64.05 2jke s SER 340 CO 0.13 0.17 1.46 -0.50 1.20 0.00 0.00 173.24 175.69 2jke h TRP 341 N 3.72 0.18 -4.10 3.44 6.55 -1.90 -3.21 115.95 120.63 2jke h TRP 341 Ca -0.50 -0.09 -0.48 0.00 0.95 0.00 0.00 58.89 58.77 2jke h TRP 341 Cb 1.17 -0.02 0.03 0.00 -0.86 0.00 0.00 29.16 29.48 2jke h TRP 341 CO 0.61 0.85 0.38 0.00 -1.05 0.00 0.00 178.44 179.23 2jke s ALA 342 N -3.34 2.85 -0.04 1.49 0.00 -1.26 -4.55 121.76 116.91 2jke s ALA 342 Ca -0.02 0.55 -0.04 0.00 0.00 0.00 0.00 51.96 52.45 2jke s ALA 342 Cb 0.11 -3.25 -0.28 0.00 0.00 0.00 0.00 23.12 19.71 2jke s ALA 342 CO 0.80 -0.42 0.70 -0.92 0.00 0.00 0.00 175.76 175.92 2jke h TYR 343 N 1.29 0.48 -3.96 0.00 3.20 -1.90 -3.39 116.97 112.69 2jke h TYR 343 Ca -0.49 -0.35 -0.32 0.00 3.14 0.00 0.00 58.73 60.72 2jke h TYR 343 Cb 1.22 -0.02 -0.21 0.00 1.54 0.00 0.00 36.73 39.26 2jke h TYR 343 CO 0.57 1.49 -0.75 -0.08 -1.64 0.00 0.00 178.16 177.76 2jke s THR 344 N -2.59 0.71 -2.62 1.81 -1.32 -1.26 -1.55 115.64 108.81 2jke s THR 344 Ca -0.13 -1.14 0.22 0.00 -1.21 0.00 0.00 61.69 59.43 2jke s THR 344 Cb 0.07 -0.74 0.24 0.00 -1.51 0.00 0.00 72.50 70.55 2jke s THR 344 CO 0.83 -0.33 1.24 0.47 -2.21 0.00 0.00 174.62 174.62 2jke n ASP 345 N 1.42 2.98 0.26 8.08 8.00 -1.26 -4.67 116.55 131.35 2jke n ASP 345 Ca -0.22 -1.93 0.15 0.00 0.71 0.00 0.00 54.79 53.50 2jke n ASP 345 Cb 0.54 -0.07 0.59 0.00 -0.02 0.00 0.00 41.12 42.17 2jke n ASP 345 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2jke h GLU 346 N 4.27 0.00 -5.84 -1.24 5.08 -1.96 -3.46 114.58 111.43 2jke h GLU 346 Ca 0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 2jke h GLU 346 Cb 0.92 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.00 2jke h GLU 346 CO 0.00 0.07 -0.65 -0.51 -1.00 0.00 0.00 179.01 176.92 2jke s LEU 347 N -6.37 3.40 0.27 1.33 1.43 -1.26 -4.99 118.68 112.49 2jke s LEU 347 Ca 0.01 0.03 0.26 0.00 -1.03 0.00 0.00 54.13 53.40 2jke s LEU 347 Cb 0.09 -1.78 0.85 0.00 0.03 0.00 0.00 46.19 45.38 2jke s LEU 347 CO 0.58 0.32 1.75 0.71 0.23 0.00 0.00 176.35 179.94 2jke h THR 348 N 4.43 0.00 -1.67 5.49 1.35 -1.99 -3.46 112.91 117.05 2jke h THR 348 Ca -0.45 -0.46 0.29 0.00 -0.55 0.00 0.00 66.41 65.24 2jke h THR 348 Cb 1.19 1.38 -0.11 0.00 -1.73 0.00 0.00 68.15 68.87 2jke h THR 348 CO 0.56 0.00 0.74 -0.94 -0.25 0.00 0.00 175.52 175.63 2jke s SER 349 N -4.68 -0.09 0.09 5.36 1.04 -1.26 -5.05 113.70 109.11 2jke s SER 349 Ca 0.08 -0.20 0.05 0.00 0.48 0.00 0.00 55.95 56.36 2jke s SER 349 Cb 0.11 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 2jke s SER 349 CO 0.54 -0.45 -0.14 0.68 0.98 0.00 0.00 173.24 174.85 2jke s VAL 350 N -2.64 1.22 -0.26 5.02 -7.23 -1.26 -5.07 120.40 110.18 2jke s VAL 350 Ca 0.14 -1.51 0.02 0.00 -1.81 0.00 0.00 61.98 58.82 2jke s VAL 350 Cb 0.03 -1.30 0.06 0.00 0.56 0.00 0.00 36.38 35.73 2jke s VAL 350 CO -0.02 -0.32 -0.08 -0.54 -0.31 0.00 0.00 175.10 173.83 2jke s LYS 351 N -2.20 2.01 0.29 4.82 1.02 -1.26 -5.02 119.74 119.40 2jke s LYS 351 Ca 0.03 -1.26 -0.30 0.00 0.02 0.00 0.00 55.97 54.47 2jke s LYS 351 Cb -0.07 -2.80 -0.11 0.00 -0.52 0.00 0.00 37.83 34.32 2jke s LYS 351 CO 0.02 -0.60 1.58 -0.51 -0.92 0.00 0.00 175.35 174.93 2jke s LEU 352 N 1.19 4.35 0.00 3.17 1.43 -1.26 -0.66 118.68 126.89 2jke s LEU 352 Ca -0.07 2.94 0.00 0.00 -1.03 0.00 0.00 54.13 55.96 2jke s LEU 352 Cb -0.20 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.39 2jke s LEU 352 CO -0.06 -0.90 0.00 0.61 0.23 0.00 0.00 176.35 176.24 2jke n GLY 353 N 2.10 1.37 1.06 -3.19 0.00 -1.26 -4.79 105.19 100.48 2jke n GLY 353 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2jke n GLY 353 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jke n GLU 354 N -2.00 0.00 -1.70 1.61 1.02 0.10 -5.00 120.64 114.66 2jke n GLU 354 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 2jke n GLU 354 Cb 0.00 -0.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.92 2jke n GLU 354 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2jke s THR 355 N -2.00 2.41 -0.52 2.62 2.01 0.17 -4.95 115.64 115.37 2jke s THR 355 Ca 0.00 0.02 -0.14 0.00 0.31 0.00 0.00 61.69 61.87 2jke s THR 355 Cb 0.00 -3.01 0.13 0.00 0.01 0.00 0.00 72.50 69.63 2jke s THR 355 CO 0.00 0.00 0.46 -0.62 -0.69 0.00 0.00 174.62 173.77 2jke s ASP 356 N 2.45 6.08 0.53 3.53 -1.08 -1.26 -4.94 116.67 121.99 2jke s ASP 356 Ca 0.80 -1.80 0.29 0.00 -0.52 0.00 0.00 52.55 51.32 2jke s ASP 356 Cb -0.47 -2.16 1.49 0.00 -1.46 0.00 0.00 42.92 40.32 2jke s ASP 356 CO 0.36 -0.82 2.08 1.88 0.52 0.00 0.00 175.17 179.19 2jke h TYR 357 N 8.79 0.00 0.00 -5.34 -1.99 -1.96 -1.83 116.97 114.64 2jke h TYR 357 Ca -0.28 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.45 2jke h TYR 357 Cb 1.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.82 2jke h TYR 357 CO 0.71 0.10 0.00 -1.13 -0.00 0.00 0.00 178.16 177.84 2jke n SER 358 N -3.54 0.67 -1.24 3.88 3.41 -1.26 -1.32 113.62 114.22 2jke n SER 358 Ca -0.02 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 2jke n SER 358 Cb 0.24 -0.82 0.27 0.00 -0.26 0.00 0.00 64.21 63.64 2jke n SER 358 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jke n LYS 359 N -2.26 2.62 -4.05 4.33 5.02 -0.69 -4.96 118.16 118.18 2jke n LYS 359 Ca 0.02 -2.48 -0.26 0.00 -2.02 0.00 0.00 58.31 53.57 2jke n LYS 359 Cb 0.21 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 2jke n LYS 359 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2jke s THR 360 N -1.20 4.66 -0.20 -0.18 -4.23 -0.44 -5.09 115.64 108.97 2jke s THR 360 Ca 0.43 -0.98 -0.26 0.00 -1.18 0.00 0.00 61.69 59.71 2jke s THR 360 Cb 0.24 -3.38 -0.01 0.00 1.34 0.00 0.00 72.50 70.69 2jke s THR 360 CO 0.32 -0.09 0.87 -0.75 -0.54 0.00 0.00 174.62 174.43 2jke s LYS 361 N -3.08 4.26 0.35 3.99 2.20 -1.26 -5.03 119.74 121.16 2jke s LYS 361 Ca 0.32 1.06 -0.27 0.00 -0.36 0.00 0.00 55.97 56.71 2jke s LYS 361 Cb -0.10 -3.60 -0.12 0.00 -1.51 0.00 0.00 37.83 32.49 2jke s LYS 361 CO 0.24 -0.43 1.19 -2.30 -0.36 0.00 0.00 175.35 173.69 2jke n PRO 362 N 5.63 1.84 0.00 4.03 -0.02 -1.26 -4.25 135.00 140.97 2jke n PRO 362 Ca 0.06 0.65 0.14 0.00 -2.02 0.00 0.00 63.50 62.33 2jke n PRO 362 Cb 0.48 -2.19 0.64 0.00 -0.02 0.00 0.00 33.50 32.40 2jke n PRO 362 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2jke n ASN 363 N 0.78 0.46 0.00 2.55 0.23 -0.59 -4.89 115.26 113.80 2jke n ASN 363 Ca 0.06 -0.61 0.00 0.00 -0.53 0.00 0.00 54.58 53.50 2jke n ASN 363 Cb 0.36 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 2jke n ASN 363 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jke n GLY 364 N 1.26 0.89 0.00 4.83 0.00 -1.26 -4.85 105.19 106.06 2jke n GLY 364 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2jke n GLY 364 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jke n LYS 365 N -2.17 -0.20 -2.64 1.61 5.02 -1.26 -5.01 118.16 113.50 2jke n LYS 365 Ca 0.00 -0.60 -0.42 0.00 -2.02 0.00 0.00 58.31 55.27 2jke n LYS 365 Cb 0.00 -0.93 -0.03 0.00 -0.02 0.00 0.00 35.03 34.05 2jke n LYS 365 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2jke s HIS 366 N -0.16 2.47 0.27 2.13 2.46 -1.26 -0.40 115.29 120.80 2jke s HIS 366 Ca 0.00 -0.04 0.18 0.00 0.47 0.00 0.00 55.06 55.67 2jke s HIS 366 Cb 0.00 -4.49 0.78 0.00 -0.13 0.00 0.00 32.58 28.74 2jke s HIS 366 CO 0.00 -1.83 1.80 0.77 -2.47 0.00 0.00 174.74 173.01 2jke h SER 367 N 9.78 0.00 -0.12 9.88 0.02 -1.87 -3.31 113.55 127.92 2jke h SER 367 Ca -0.27 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 59.99 2jke h SER 367 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2jke h SER 367 CO 1.22 0.36 3.58 0.00 -1.14 0.00 0.00 176.83 180.85 2jke n ALA 368 N -2.35 7.10 -2.56 3.77 0.00 -1.26 -4.54 120.51 120.67 2jke n ALA 368 Ca -0.01 -3.66 -0.30 0.00 0.00 0.00 0.00 53.44 49.47 2jke n ALA 368 Cb 0.45 -3.35 -0.10 0.00 0.00 0.00 0.00 19.45 16.44 2jke n ALA 368 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jke s ASN 369 N 2.19 4.32 0.22 0.00 4.22 -1.25 -4.38 114.94 120.26 2jke s ASN 369 Ca 0.64 -0.35 -0.11 0.00 -2.14 0.00 0.00 52.86 50.90 2jke s ASN 369 Cb 0.17 -0.83 0.31 0.00 1.28 0.00 0.00 41.25 42.18 2jke s ASN 369 CO -0.07 0.21 1.64 0.74 -2.04 0.00 0.00 177.10 177.59 2jke h THR 370 N 3.47 0.41 -0.54 0.54 2.02 -1.30 0.35 112.91 117.86 2jke h THR 370 Ca -0.49 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 2jke h THR 370 Cb 1.16 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 2jke h THR 370 CO 0.51 0.01 0.28 0.00 0.37 0.00 0.00 175.52 176.70 2jke h ALA 371 N 1.63 0.69 -0.30 6.16 0.00 -1.96 0.97 119.26 126.44 2jke h ALA 371 Ca 0.34 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2jke h ALA 371 Cb 0.56 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2jke h ALA 371 CO -0.61 0.23 0.04 -0.97 0.00 0.00 0.00 179.25 177.93 2jke h ASN 372 N 0.72 0.49 -0.94 0.00 -1.24 -1.65 -2.05 115.58 110.91 2jke h ASN 372 Ca 0.19 -0.27 0.03 0.00 0.71 0.00 0.00 56.30 56.95 2jke h ASN 372 Cb 0.07 -0.13 -0.05 0.00 0.73 0.00 0.00 38.32 38.94 2jke h ASN 372 CO -0.03 0.64 0.62 0.58 -1.29 0.00 0.00 177.43 177.95 2jke h VAL 373 N 0.32 1.19 -0.42 2.57 2.07 -0.61 -1.42 116.25 119.95 2jke h VAL 373 Ca 0.09 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 2jke h VAL 373 Cb 0.37 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 2jke h VAL 373 CO 0.01 0.22 0.05 0.11 0.02 0.00 0.00 177.57 177.98 2jke h LYS 374 N 1.21 0.65 -0.52 1.57 1.57 -0.57 -0.77 116.57 119.72 2jke h LYS 374 Ca 0.36 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.94 2jke h LYS 374 Cb -0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 2jke h LYS 374 CO -0.10 0.63 0.03 0.00 -0.57 0.00 0.00 179.45 179.45 2jke h ARG 375 N 0.63 0.85 -0.46 3.15 3.08 -0.56 0.17 114.38 121.24 2jke h ARG 375 Ca 0.14 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 2jke h ARG 375 Cb 0.32 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2jke h ARG 375 CO 0.01 0.83 0.04 1.88 -1.07 0.00 0.00 179.97 181.66 2jke h TYR 376 N 0.80 0.84 -0.83 3.04 -1.99 -0.90 -1.99 116.97 115.93 2jke h TYR 376 Ca 0.16 -0.13 0.04 0.00 2.00 0.00 0.00 58.73 60.80 2jke h TYR 376 Cb 0.43 -0.22 -0.05 0.00 2.00 0.00 0.00 36.73 38.89 2jke h TYR 376 CO 0.02 0.80 0.53 0.82 -0.00 0.00 0.00 178.16 180.33 2jke h ILE 377 N 0.63 1.11 -0.30 -2.88 2.04 -0.89 0.16 117.51 117.39 2jke h ILE 377 Ca 0.13 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.69 2jke h ILE 377 Cb 0.44 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.48 2jke h ILE 377 CO 0.02 0.19 0.06 0.44 0.00 0.00 0.00 178.15 178.85 2jke h ASP 378 N 1.02 0.01 -0.45 1.72 3.32 -0.78 -0.43 116.42 120.83 2jke h ASP 378 Ca 0.34 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.39 2jke h ASP 378 Cb 0.04 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2jke h ASP 378 CO -0.12 0.04 0.11 0.15 -1.72 0.00 0.00 179.24 177.69 2jke h PHE 379 N 0.17 0.76 -0.49 4.55 3.57 -0.81 -1.52 116.94 123.17 2jke h PHE 379 Ca 0.14 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2jke h PHE 379 Cb 0.15 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 2jke h PHE 379 CO -0.17 0.70 0.32 0.00 -2.23 0.00 0.00 178.31 176.93 2jke h ALA 380 N 0.97 0.62 -0.24 2.41 0.00 -0.28 -2.41 119.26 120.33 2jke h ALA 380 Ca 0.14 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 2jke h ALA 380 Cb 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2jke h ALA 380 CO 0.00 0.08 -0.44 0.00 0.00 0.00 0.00 179.25 178.89 2jke h ALA 381 N 1.17 0.79 0.00 0.00 0.00 -1.03 0.07 119.26 120.26 2jke h ALA 381 Ca 0.18 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2jke h ALA 381 Cb -0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2jke h ALA 381 CO -0.04 0.66 -0.14 0.00 0.00 0.00 0.00 179.25 179.73 2jke h ALA 382 N 1.04 1.72 -0.10 0.00 0.00 -0.99 -3.18 119.26 117.75 2jke h ALA 382 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2jke h ALA 382 Cb 0.96 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2jke h ALA 382 CO 0.09 0.18 0.00 0.72 0.00 0.00 0.00 179.25 180.24 2jke n HIS 383 N -4.30 0.26 -1.05 0.00 8.25 -0.93 -4.99 115.22 112.46 2jke n HIS 383 Ca -0.03 -0.79 -0.01 0.00 -0.26 0.00 0.00 57.72 56.63 2jke n HIS 383 Cb 0.21 -0.15 -0.00 0.00 1.12 0.00 0.00 29.99 31.17 2jke n HIS 383 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jke n GLY 384 N -0.78 0.45 3.79 -1.41 0.00 -0.88 -4.82 105.19 101.54 2jke n GLY 384 Ca 0.13 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 2jke n GLY 384 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jke s PHE 385 N -2.03 2.80 -0.06 1.61 0.08 -0.04 -5.00 117.98 115.33 2jke s PHE 385 Ca 0.00 1.51 0.11 0.00 0.12 0.00 0.00 56.93 58.67 2jke s PHE 385 Cb 0.00 -3.02 -0.23 0.00 -0.57 0.00 0.00 43.02 39.19 2jke s PHE 385 CO 0.00 -1.50 0.60 -0.25 -0.10 0.00 0.00 175.22 173.97 2jke n ASP 386 N -2.91 0.98 -3.74 1.36 8.00 0.14 -4.68 116.55 115.70 2jke n ASP 386 Ca 0.09 0.37 -0.10 0.00 0.71 0.00 0.00 54.79 55.86 2jke n ASP 386 Cb 0.53 -0.11 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 2jke n ASP 386 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jke s ALA 387 N -2.59 -0.64 -0.11 2.24 0.00 -1.09 -1.50 121.76 118.07 2jke s ALA 387 Ca -0.07 -0.31 -0.00 0.00 0.00 0.00 0.00 51.96 51.58 2jke s ALA 387 Cb 0.08 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.89 2jke s ALA 387 CO 0.82 -0.62 -0.07 0.08 0.00 0.00 0.00 175.76 175.96 2jke s VAL 388 N -3.84 1.00 0.22 0.00 1.01 -0.81 -2.25 120.40 115.73 2jke s VAL 388 Ca 0.06 -0.28 -0.27 0.00 0.00 0.00 0.00 61.98 61.49 2jke s VAL 388 Cb 0.03 -1.02 -0.09 0.00 0.00 0.00 0.00 36.38 35.30 2jke s VAL 388 CO -0.10 0.36 0.87 -0.22 0.00 0.00 0.00 175.10 176.01 2jke s LEU 389 N 1.67 4.57 -0.09 3.92 2.96 -0.14 -0.89 118.68 130.67 2jke s LEU 389 Ca 0.04 1.79 0.01 0.00 -0.22 0.00 0.00 54.13 55.75 2jke s LEU 389 Cb -0.13 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.03 2jke s LEU 389 CO -0.08 0.14 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.30 2jke s VAL 390 N -1.25 1.11 0.07 1.68 1.01 -1.23 -0.65 120.40 121.14 2jke s VAL 390 Ca 0.40 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.04 2jke s VAL 390 Cb -0.23 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 2jke s VAL 390 CO 0.28 0.37 -0.05 -1.61 0.00 0.00 0.00 175.10 174.08 2jke s GLU 391 N 1.17 2.41 0.00 2.72 2.02 -1.05 -4.34 118.70 121.63 2jke s GLU 391 Ca -0.05 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.08 2jke s GLU 391 Cb -0.14 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 31.64 2jke s GLU 391 CO -0.02 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.21 2jke n GLY 392 N 0.92 0.59 0.12 -1.39 0.00 -1.26 -4.47 105.19 99.70 2jke n GLY 392 Ca -0.13 -0.76 0.01 0.00 0.00 0.00 0.00 46.02 45.14 2jke n GLY 392 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2jke h TRP 393 N 0.00 0.00 -2.91 1.61 5.08 -1.84 -3.44 115.95 114.45 2jke h TRP 393 Ca 0.00 0.00 -0.61 0.00 1.08 0.00 0.00 58.89 59.36 2jke h TRP 393 Cb 0.08 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 26.13 2jke h TRP 393 CO 0.00 0.57 -0.66 0.54 -1.28 0.00 0.00 178.44 177.61 2jke s ASN 394 N -6.32 4.79 0.28 0.11 4.22 -1.26 -1.05 114.94 115.70 2jke s ASN 394 Ca 0.02 -0.38 -0.30 0.00 -2.14 0.00 0.00 52.86 50.07 2jke s ASN 394 Cb 0.08 -1.03 -0.13 0.00 1.28 0.00 0.00 41.25 41.45 2jke s ASN 394 CO 0.77 0.10 1.27 -0.62 -2.04 0.00 0.00 177.10 176.58 2jke n GLU 395 N -0.06 1.88 0.00 3.55 1.02 0.20 -4.16 120.64 123.07 2jke n GLU 395 Ca -0.10 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 2jke n GLU 395 Cb 0.55 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 2jke n GLU 395 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jke n GLY 396 N 1.46 1.49 0.26 0.62 0.00 -1.26 -4.56 105.19 103.19 2jke n GLY 396 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 2jke n GLY 396 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2jke h TRP 397 N 0.00 0.00 -0.90 1.61 4.06 -1.86 -1.27 115.95 117.59 2jke h TRP 397 Ca 0.00 0.00 0.26 0.00 2.06 0.00 0.00 58.89 61.21 2jke h TRP 397 Cb 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.12 2jke h TRP 397 CO 0.00 0.14 0.64 0.93 -3.56 0.00 0.00 178.44 176.59 2jke h GLU 398 N 0.00 0.02 -0.20 0.49 3.07 -1.90 -2.90 114.58 113.16 2jke h GLU 398 Ca -0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2jke h GLU 398 Cb 0.44 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 2jke h GLU 398 CO 0.02 0.01 0.00 -0.25 -1.40 0.00 0.00 179.01 177.39 2jke n ASP 399 N -4.28 2.85 0.16 1.42 9.92 -0.48 -4.82 116.55 121.32 2jke n ASP 399 Ca 0.19 -2.37 0.13 0.00 -0.53 0.00 0.00 54.79 52.21 2jke n ASP 399 Cb 0.95 -0.27 0.50 0.00 -0.64 0.00 0.00 41.12 41.66 2jke n ASP 399 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 2jke h TRP 400 N 1.23 0.00 -3.36 1.24 5.08 -1.58 -3.43 115.95 115.12 2jke h TRP 400 Ca 0.00 0.00 -0.67 0.00 1.08 0.00 0.00 58.89 59.30 2jke h TRP 400 Cb 0.87 0.00 -0.33 0.00 -3.00 0.00 0.00 29.16 26.70 2jke h TRP 400 CO 0.21 0.00 -0.79 0.12 -1.28 0.00 0.00 178.44 176.70 2jke s PHE 401 N -3.35 2.96 -0.03 0.12 5.36 -1.26 -4.75 117.98 117.03 2jke s PHE 401 Ca 0.05 -1.53 0.00 0.00 -0.96 0.00 0.00 56.93 54.49 2jke s PHE 401 Cb 0.09 -2.01 0.00 0.00 -0.34 0.00 0.00 43.02 40.77 2jke s PHE 401 CO 0.48 -0.73 0.00 0.41 -1.46 0.00 0.00 175.22 173.92 2jke n GLY 402 N 4.66 0.45 0.75 13.12 0.00 -1.26 -4.89 105.19 118.01 2jke n GLY 402 Ca -0.18 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 45.87 2jke n GLY 402 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jke n ASN 403 N 0.00 2.56 -4.03 1.61 5.03 -1.26 -4.96 115.26 114.22 2jke n ASN 403 Ca -0.00 -1.78 -0.30 0.00 0.87 0.00 0.00 54.58 53.37 2jke n ASN 403 Cb 0.07 0.21 -0.01 0.00 -1.02 0.00 0.00 39.78 39.03 2jke n ASN 403 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2jke n SER 404 N 0.73 -2.17 -4.69 6.41 2.88 -1.26 -4.91 113.62 110.61 2jke n SER 404 Ca 0.12 -0.96 -0.42 0.00 -1.33 0.00 0.00 58.87 56.28 2jke n SER 404 Cb 0.54 -3.16 -0.03 0.00 -0.75 0.00 0.00 64.21 60.81 2jke n SER 404 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2jke s LYS 405 N -6.66 4.41 -0.03 -1.46 2.20 -1.26 -4.99 119.74 111.95 2jke s LYS 405 Ca 0.37 1.19 -0.07 0.00 -0.36 0.00 0.00 55.97 57.10 2jke s LYS 405 Cb -0.20 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 2jke s LYS 405 CO 0.89 -0.20 0.43 0.22 -0.36 0.00 0.00 175.35 176.32 2jke h ASP 406 N 7.06 -0.21 -1.08 1.43 3.58 -1.97 -3.37 116.42 121.85 2jke h ASP 406 Ca -0.34 0.01 -0.74 0.00 0.42 0.00 0.00 57.03 56.38 2jke h ASP 406 Cb 1.16 0.05 -0.12 0.00 1.72 0.00 0.00 39.33 42.15 2jke h ASP 406 CO 0.81 0.04 2.24 0.00 -2.88 0.00 0.00 179.24 179.45 2jke n TYR 407 N -3.67 3.48 -0.04 0.28 9.36 -1.26 -4.66 117.16 120.64 2jke n TYR 407 Ca -0.03 -2.92 -0.09 0.00 3.32 0.00 0.00 57.90 58.19 2jke n TYR 407 Cb 0.10 -2.19 -0.14 0.00 -0.63 0.00 0.00 39.34 36.48 2jke n TYR 407 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 2jke n VAL 408 N 4.17 1.52 -3.86 2.97 3.14 -1.26 -4.70 118.33 120.31 2jke n VAL 408 Ca 0.43 -0.81 -0.09 0.00 -2.96 0.00 0.00 64.34 60.91 2jke n VAL 408 Cb 0.38 -0.85 -0.08 0.00 -1.06 0.00 0.00 33.84 32.24 2jke n VAL 408 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2jke s PHE 409 N -2.58 0.12 -0.55 1.45 0.08 -1.26 -4.62 117.98 110.62 2jke s PHE 409 Ca -0.06 -0.47 0.06 0.00 0.12 0.00 0.00 56.93 56.58 2jke s PHE 409 Cb 0.07 -0.06 0.00 0.00 -0.57 0.00 0.00 43.02 42.47 2jke s PHE 409 CO 0.83 -0.49 0.50 -0.40 -0.10 0.00 0.00 175.22 175.55 2jke n ASP 410 N 0.26 0.98 -0.28 1.36 5.68 -1.26 -4.93 116.55 118.36 2jke n ASP 410 Ca -0.17 -0.99 -0.04 0.00 -0.50 0.00 0.00 54.79 53.10 2jke n ASP 410 Cb 0.61 0.42 -0.02 0.00 -1.14 0.00 0.00 41.12 40.99 2jke n ASP 410 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2jke n PHE 411 N -0.27 0.00 0.00 2.11 3.72 -1.26 -4.69 117.46 117.07 2jke n PHE 411 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2jke n PHE 411 Cb 0.12 -1.80 0.00 0.00 -0.94 0.00 0.00 39.48 36.86 2jke n PHE 411 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2jke n VAL 412 N -2.31 0.00 -3.47 -4.37 0.24 -1.26 -4.81 118.33 102.34 2jke n VAL 412 Ca -0.04 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.86 2jke n VAL 412 Cb 0.41 0.05 -0.10 0.00 -1.47 0.00 0.00 33.84 32.73 2jke n VAL 412 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2jke s THR 413 N -0.20 5.24 0.56 3.34 2.01 -1.26 -5.05 115.64 120.27 2jke s THR 413 Ca 0.00 -0.16 -0.16 0.00 0.31 0.00 0.00 61.69 61.69 2jke s THR 413 Cb 0.00 -3.77 -0.06 0.00 0.01 0.00 0.00 72.50 68.68 2jke s THR 413 CO 0.00 -0.07 1.02 -2.16 -0.69 0.00 0.00 174.62 172.72 2jke s PRO 414 N 1.83 3.62 0.87 4.92 0.04 -1.26 -0.62 135.00 144.40 2jke s PRO 414 Ca 0.08 1.07 -0.11 0.00 0.04 0.00 0.00 61.00 62.08 2jke s PRO 414 Cb -0.17 -2.08 0.11 0.00 0.04 0.00 0.00 34.50 32.40 2jke s PRO 414 CO 0.11 -0.55 1.09 0.71 0.04 0.00 0.00 177.00 178.40 2jke s TYR 415 N -2.57 2.36 0.57 0.56 2.02 -0.22 -4.59 117.35 115.48 2jke s TYR 415 Ca 0.61 1.32 0.30 0.00 -0.37 0.00 0.00 57.07 58.93 2jke s TYR 415 Cb -0.13 -3.14 1.79 0.00 -0.40 0.00 0.00 41.96 40.08 2jke s TYR 415 CO 0.35 -2.28 2.23 -1.35 -1.57 0.00 0.00 175.55 172.94 2jke h PRO 416 N -1.47 0.00 -0.74 -1.71 0.11 -1.92 -2.46 132.00 123.82 2jke h PRO 416 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jke h PRO 416 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2jke h PRO 416 CO 0.54 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 2jke n ASP 417 N -3.79 3.98 -4.02 -2.05 5.75 -1.26 -4.78 116.55 110.37 2jke n ASP 417 Ca -0.03 -2.01 -0.31 0.00 -0.01 0.00 0.00 54.79 52.43 2jke n ASP 417 Cb 0.10 -0.50 -0.15 0.00 -1.03 0.00 0.00 41.12 39.55 2jke n ASP 417 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2jke s PHE 418 N -1.02 3.38 -0.75 2.11 5.36 -0.93 -0.78 117.98 125.36 2jke s PHE 418 Ca 0.50 -2.59 -0.18 0.00 -0.96 0.00 0.00 56.93 53.70 2jke s PHE 418 Cb 0.26 -2.38 0.14 0.00 -0.34 0.00 0.00 43.02 40.70 2jke s PHE 418 CO 0.34 -0.91 0.86 0.34 -1.46 0.00 0.00 175.22 174.39 2jke s ASP 419 N 1.05 6.46 0.14 6.13 -1.08 -1.26 -4.58 116.67 123.53 2jke s ASP 419 Ca 0.02 -1.90 -0.18 0.00 -0.52 0.00 0.00 52.55 49.96 2jke s ASP 419 Cb -0.19 -2.31 0.03 0.00 -1.46 0.00 0.00 42.92 38.98 2jke s ASP 419 CO -0.07 -0.98 1.71 0.58 0.52 0.00 0.00 175.17 176.92 2jke h VAL 420 N 5.63 0.78 -0.54 1.11 2.07 -1.97 -0.33 116.25 123.00 2jke h VAL 420 Ca -0.06 -0.02 -0.12 0.00 0.82 0.00 0.00 66.70 67.31 2jke h VAL 420 Cb 1.06 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 2jke h VAL 420 CO 1.02 0.01 -0.13 0.11 0.02 0.00 0.00 177.57 178.60 2jke h LYS 421 N 0.07 1.04 -0.22 1.57 1.57 -1.97 -1.21 116.57 117.42 2jke h LYS 421 Ca 0.14 -0.40 -0.16 0.00 -1.87 0.00 0.00 60.65 58.36 2jke h LYS 421 Cb 0.18 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2jke h LYS 421 CO -0.24 1.09 -0.51 1.49 -0.57 0.00 0.00 179.45 180.72 2jke h GLU 422 N 0.91 0.61 -0.54 3.15 4.57 -1.91 -0.57 114.58 120.80 2jke h GLU 422 Ca 0.14 -0.36 -0.05 0.00 -1.18 0.00 0.00 59.36 57.90 2jke h GLU 422 Cb 0.71 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.31 2jke h GLU 422 CO 0.05 0.97 0.13 0.82 -1.18 0.00 0.00 179.01 179.81 2jke h ILE 423 N 0.47 1.24 -0.16 2.32 2.04 -0.98 -1.03 117.51 121.41 2jke h ILE 423 Ca 0.02 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.02 2jke h ILE 423 Cb 1.05 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2jke h ILE 423 CO 0.10 0.32 0.11 -0.74 0.00 0.00 0.00 178.15 177.93 2jke h HIS 424 N 0.76 0.21 -0.62 1.37 2.76 -0.99 0.75 115.15 119.38 2jke h HIS 424 Ca 0.17 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.38 2jke h HIS 424 Cb 0.33 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.18 2jke h HIS 424 CO 0.02 0.14 0.37 0.00 -1.30 0.00 0.00 177.93 177.17 2jke h ARG 425 N 0.21 0.71 -0.23 5.26 3.08 -0.93 -0.86 114.38 121.62 2jke h ARG 425 Ca 0.06 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 2jke h ARG 425 Cb -0.01 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 2jke h ARG 425 CO -0.01 0.47 -0.12 -0.92 -1.07 0.00 0.00 179.97 178.32 2jke h TYR 426 N 0.73 0.57 -0.24 3.04 3.20 -0.96 -1.25 116.97 122.06 2jke h TYR 426 Ca 0.26 -0.14 0.01 0.00 3.14 0.00 0.00 58.73 61.99 2jke h TYR 426 Cb 0.05 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 2jke h TYR 426 CO -0.06 0.77 0.14 0.00 -1.64 0.00 0.00 178.16 177.37 2jke h ALA 427 N 0.72 0.30 -0.61 1.82 0.00 -0.74 -2.59 119.26 118.16 2jke h ALA 427 Ca 0.05 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.02 2jke h ALA 427 Cb 0.62 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 2jke h ALA 427 CO 0.04 -0.25 0.30 0.00 0.00 0.00 0.00 179.25 179.34 2jke h ALA 428 N 1.10 0.81 -0.67 0.00 0.00 -0.97 -0.19 119.26 119.34 2jke h ALA 428 Ca 0.09 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.17 2jke h ALA 428 Cb -0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2jke h ALA 428 CO -0.04 -0.07 0.45 0.00 0.00 0.00 0.00 179.25 179.59 2jke h ARG 429 N 0.54 0.37 -0.28 0.00 3.08 -1.00 -1.57 114.38 115.52 2jke h ARG 429 Ca 0.29 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2jke h ARG 429 Cb 0.25 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2jke h ARG 429 CO -0.22 0.25 0.00 1.63 -1.07 0.00 0.00 179.97 180.55 2jke n LYS 430 N -4.47 2.18 -1.98 0.04 4.76 -0.37 -4.95 118.16 113.37 2jke n LYS 430 Ca 0.12 -1.78 -0.13 0.00 -2.87 0.00 0.00 58.31 53.65 2jke n LYS 430 Cb 0.47 -1.46 -0.02 0.00 -1.84 0.00 0.00 35.03 32.17 2jke n LYS 430 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jke n GLY 431 N 1.35 0.31 3.62 0.72 0.00 -0.59 -4.78 105.19 105.82 2jke n GLY 431 Ca 0.18 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2jke n GLY 431 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jke s ILE 432 N -2.61 3.79 -0.09 -0.61 -1.09 -0.23 -4.92 121.20 115.45 2jke s ILE 432 Ca 0.00 -0.75 -0.02 0.00 -2.23 0.00 0.00 60.65 57.65 2jke s ILE 432 Cb 0.00 -2.67 -0.03 0.00 -1.58 0.00 0.00 42.46 38.18 2jke s ILE 432 CO 0.00 0.37 0.01 -0.54 -1.23 0.00 0.00 174.94 173.55 2jke s LYS 433 N -1.51 2.99 0.10 2.79 -0.14 -0.56 -3.71 119.74 119.70 2jke s LYS 433 Ca 0.18 -0.40 -0.26 0.00 -1.36 0.00 0.00 55.97 54.13 2jke s LYS 433 Cb -0.11 -2.80 -0.06 0.00 -1.68 0.00 0.00 37.83 33.17 2jke s LYS 433 CO 0.09 0.71 0.82 -1.64 -0.76 0.00 0.00 175.35 174.57 2jke s MET 434 N -0.90 4.58 -0.21 1.68 -1.94 -1.26 -1.92 119.30 119.34 2jke s MET 434 Ca 0.13 1.20 -0.17 0.00 -1.71 0.00 0.00 55.69 55.15 2jke s MET 434 Cb -0.11 -3.33 -0.04 0.00 2.01 0.00 0.00 34.83 33.36 2jke s MET 434 CO 0.02 0.36 0.44 1.41 -0.01 0.00 0.00 175.02 177.25 2jke s MET 435 N -0.41 4.17 0.47 2.03 1.75 -0.07 -4.32 119.30 122.91 2jke s MET 435 Ca 0.40 0.27 -0.21 0.00 -1.25 0.00 0.00 55.69 54.89 2jke s MET 435 Cb -0.22 -3.56 -0.08 0.00 2.84 0.00 0.00 34.83 33.81 2jke s MET 435 CO 0.26 -0.10 1.07 1.41 -0.65 0.00 0.00 175.02 177.01 2jke s MET 436 N 1.49 3.84 -0.14 4.11 0.00 -0.24 -3.52 119.30 124.85 2jke s MET 436 Ca 0.21 1.48 0.02 0.00 0.00 0.00 0.00 55.69 57.40 2jke s MET 436 Cb -0.15 -2.24 0.01 0.00 0.00 0.00 0.00 34.83 32.44 2jke s MET 436 CO 0.09 -0.42 -0.21 -1.58 0.00 0.00 0.00 175.02 172.90 2jke s HIS 437 N -1.81 2.68 -0.60 4.11 2.46 -1.26 -0.62 115.29 120.24 2jke s HIS 437 Ca 0.65 -1.22 0.06 0.00 0.47 0.00 0.00 55.06 55.02 2jke s HIS 437 Cb -0.20 -1.81 0.25 0.00 -0.13 0.00 0.00 32.58 30.68 2jke s HIS 437 CO 0.25 -0.55 0.71 0.72 -2.47 0.00 0.00 174.74 173.40 2jke n HIS 438 N 3.97 2.94 -2.02 3.88 8.25 0.55 -4.96 115.22 127.83 2jke n HIS 438 Ca -0.20 -4.05 -0.42 0.00 -0.26 0.00 0.00 57.72 52.79 2jke n HIS 438 Cb 0.52 -0.52 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 2jke n HIS 438 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2jke s GLU 439 N -2.25 4.25 -0.00 -0.41 2.56 -1.26 -1.83 118.70 119.76 2jke s GLU 439 Ca 0.39 2.24 0.22 0.00 0.00 0.00 0.00 54.97 57.82 2jke s GLU 439 Cb 0.15 -3.30 -0.17 0.00 2.00 0.00 0.00 34.13 32.81 2jke s GLU 439 CO -0.03 -0.58 0.88 0.25 -0.56 0.00 0.00 175.26 175.22 2jke n THR 440 N 4.16 0.01 -2.96 -1.70 -2.24 -0.22 -4.87 114.28 106.46 2jke n THR 440 Ca 0.13 -0.10 -0.21 0.00 -2.27 0.00 0.00 64.05 61.60 2jke n THR 440 Cb 0.40 0.73 0.01 0.00 -2.10 0.00 0.00 70.33 69.37 2jke n THR 440 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2jke n SER 441 N -1.66 -5.22 -1.49 3.42 2.88 -1.26 -1.60 113.62 108.69 2jke n SER 441 Ca 0.03 -0.22 -0.19 0.00 -1.33 0.00 0.00 58.87 57.15 2jke n SER 441 Cb 0.38 -4.28 -0.08 0.00 -0.75 0.00 0.00 64.21 59.48 2jke n SER 441 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jke n ALA 442 N -3.20 -0.29 -3.18 -1.46 0.00 -1.17 -4.62 120.51 106.58 2jke n ALA 442 Ca -0.11 0.31 -0.46 0.00 0.00 0.00 0.00 53.44 53.19 2jke n ALA 442 Cb 0.61 -1.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.04 2jke n ALA 442 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jke s SER 443 N -2.68 6.50 -0.09 0.00 0.15 -0.63 -0.76 113.70 116.20 2jke s SER 443 Ca 0.00 -2.10 -0.02 0.00 0.70 0.00 0.00 55.95 54.53 2jke s SER 443 Cb 0.00 -2.28 -0.26 0.00 -1.71 0.00 0.00 66.02 61.78 2jke s SER 443 CO 0.00 -0.86 0.49 0.58 1.20 0.00 0.00 173.24 174.64 2jke h VAL 444 N 5.46 0.73 -0.69 4.45 2.07 -1.16 -2.30 116.25 124.81 2jke h VAL 444 Ca -0.05 -2.47 0.02 0.00 0.82 0.00 0.00 66.70 65.03 2jke h VAL 444 Cb 1.06 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 33.31 2jke h VAL 444 CO 0.96 0.80 0.44 -0.09 0.02 0.00 0.00 177.57 179.70 2jke h ARG 445 N 0.06 0.87 -0.62 1.57 2.43 -1.91 -0.84 114.38 115.94 2jke h ARG 445 Ca -0.38 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 58.78 2jke h ARG 445 Cb 2.03 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 31.34 2jke h ARG 445 CO 0.10 0.57 0.36 -0.97 -1.51 0.00 0.00 179.97 178.52 2jke h ASN 446 N 0.89 0.56 -0.24 -3.80 -1.24 -1.83 0.32 115.58 110.24 2jke h ASN 446 Ca 0.26 0.01 -0.05 0.00 0.71 0.00 0.00 56.30 57.24 2jke h ASN 446 Cb -0.06 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 38.88 2jke h ASN 446 CO -0.08 0.38 -0.03 0.22 -1.29 0.00 0.00 177.43 176.64 2jke h TYR 447 N 0.69 0.50 -0.85 0.67 3.20 -1.13 -2.62 116.97 117.44 2jke h TYR 447 Ca 0.26 -0.10 0.08 0.00 3.14 0.00 0.00 58.73 62.11 2jke h TYR 447 Cb 0.09 -0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.17 2jke h TYR 447 CO -0.07 0.65 0.51 0.93 -1.64 0.00 0.00 178.16 178.54 2jke h GLU 448 N 0.20 0.87 -0.13 1.82 5.08 -0.73 -0.23 114.58 121.45 2jke h GLU 448 Ca 0.06 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2jke h GLU 448 Cb 0.47 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2jke h GLU 448 CO 0.02 0.58 -0.14 0.00 -1.00 0.00 0.00 179.01 178.47 2jke h ARG 449 N 0.90 0.21 -0.02 2.33 3.08 -0.83 -2.29 114.38 117.76 2jke h ARG 449 Ca 0.39 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.39 2jke h ARG 449 Cb 0.26 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2jke h ARG 449 CO -0.20 0.36 -0.14 0.72 -1.07 0.00 0.00 179.97 179.63 2jke n HIS 450 N -4.28 0.00 -0.09 3.04 8.25 -0.76 -4.69 115.22 116.69 2jke n HIS 450 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 2jke n HIS 450 Cb 0.27 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.30 2jke n HIS 450 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 2jke h MET 451 N 2.53 0.49 -0.16 -0.41 4.05 -0.46 0.17 114.93 121.13 2jke h MET 451 Ca 0.00 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.25 2jke h MET 451 Cb 0.64 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 2jke h MET 451 CO 0.00 0.68 0.11 -0.44 0.23 0.00 0.00 176.91 177.49 2jke h ASP 452 N 0.24 0.18 -0.78 1.39 3.32 -1.84 0.11 116.42 119.06 2jke h ASP 452 Ca 0.07 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2jke h ASP 452 Cb 0.49 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 2jke h ASP 452 CO 0.02 0.13 0.45 0.11 -1.72 0.00 0.00 179.24 178.23 2jke h LYS 453 N 0.22 1.08 -0.33 3.56 1.57 -1.82 0.02 116.57 120.87 2jke h LYS 453 Ca 0.06 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 2jke h LYS 453 Cb -0.02 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 2jke h LYS 453 CO -0.02 0.77 -0.07 0.00 -0.57 0.00 0.00 179.45 179.57 2jke h ALA 454 N 1.40 0.46 -0.23 3.86 0.00 -0.16 0.35 119.26 124.93 2jke h ALA 454 Ca 0.28 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2jke h ALA 454 Cb -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2jke h ALA 454 CO -0.05 0.29 -0.39 1.88 0.00 0.00 0.00 179.25 180.98 2jke h TYR 455 N 0.42 0.63 -0.68 0.00 0.05 -0.83 -1.45 116.97 115.11 2jke h TYR 455 Ca 0.09 -0.18 -0.08 0.00 0.05 0.00 0.00 58.73 58.61 2jke h TYR 455 Cb 0.56 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.14 2jke h TYR 455 CO 0.05 0.84 0.11 0.37 -1.05 0.00 0.00 178.16 178.48 2jke h GLN 456 N 0.44 1.13 -0.71 4.88 5.75 -0.85 -0.94 115.11 124.81 2jke h GLN 456 Ca 0.04 -0.30 -0.05 0.00 -0.15 0.00 0.00 58.65 58.19 2jke h GLN 456 Cb 0.87 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.26 2jke h GLN 456 CO 0.07 1.03 0.26 0.35 -2.65 0.00 0.00 178.83 177.89 2jke h PHE 457 N 1.05 1.09 -0.18 3.99 3.57 -0.71 0.85 116.94 126.61 2jke h PHE 457 Ca 0.21 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.63 2jke h PHE 457 Cb 0.45 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2jke h PHE 457 CO 0.03 0.85 0.10 0.52 -2.23 0.00 0.00 178.31 177.58 2jke h MET 458 N 1.04 0.21 -0.49 1.11 2.86 -0.83 -1.95 114.93 116.89 2jke h MET 458 Ca 0.24 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.82 2jke h MET 458 Cb 0.24 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2jke h MET 458 CO -0.02 0.14 0.15 0.00 1.06 0.00 0.00 176.91 178.24 2jke h ALA 459 N 1.08 0.64 0.00 6.32 0.00 -0.66 0.67 119.26 127.31 2jke h ALA 459 Ca 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2jke h ALA 459 Cb -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2jke h ALA 459 CO -0.03 0.30 -0.06 -0.44 0.00 0.00 0.00 179.25 179.02 2jke h ASP 460 N 0.66 0.00 -0.07 0.00 3.32 -0.74 -3.02 116.42 116.57 2jke h ASP 460 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2jke h ASP 460 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2jke h ASP 460 CO -0.00 0.06 0.00 0.59 -1.72 0.00 0.00 179.24 178.17 2jke n ASN 461 N -3.25 2.69 -0.39 6.45 3.02 -0.74 -5.00 115.26 118.03 2jke n ASN 461 Ca -0.01 -2.95 -0.04 0.00 -0.03 0.00 0.00 54.58 51.55 2jke n ASN 461 Cb 0.27 -0.41 -0.01 0.00 -0.61 0.00 0.00 39.78 39.01 2jke n ASN 461 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jke n GLY 462 N -1.09 0.57 3.68 7.41 0.00 -0.47 -4.88 105.19 110.41 2jke n GLY 462 Ca 0.16 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 2jke n GLY 462 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jke s TYR 463 N -2.18 3.37 0.00 1.61 2.02 0.11 -4.56 117.35 117.72 2jke s TYR 463 Ca 0.00 0.43 0.00 0.00 -0.37 0.00 0.00 57.07 57.13 2jke s TYR 463 Cb 0.00 -2.36 0.00 0.00 -0.40 0.00 0.00 41.96 39.20 2jke s TYR 463 CO 0.00 0.09 0.88 0.27 -1.57 0.00 0.00 175.55 175.22 2jke n ASN 464 N 4.14 1.69 -3.92 2.29 0.23 -1.26 -4.22 115.26 114.20 2jke n ASN 464 Ca -0.12 -1.77 -0.10 0.00 -0.53 0.00 0.00 54.58 52.06 2jke n ASN 464 Cb 0.52 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.11 2jke n ASN 464 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2jke s SER 465 N -0.77 0.13 0.00 0.53 1.04 -1.26 -1.39 113.70 111.99 2jke s SER 465 Ca 0.00 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2jke s SER 465 Cb 0.00 0.16 -0.00 0.00 0.10 0.00 0.00 66.02 66.28 2jke s SER 465 CO 0.00 -0.36 -0.01 0.54 0.98 0.00 0.00 173.24 174.39 2jke s VAL 466 N -1.58 0.04 -0.31 5.02 0.11 -0.31 -1.08 120.40 122.28 2jke s VAL 466 Ca -0.14 -0.07 -0.11 0.00 -2.93 0.00 0.00 61.98 58.73 2jke s VAL 466 Cb -0.08 -0.05 -0.02 0.00 -1.53 0.00 0.00 36.38 34.70 2jke s VAL 466 CO -0.00 -0.02 0.19 -0.75 -3.33 0.00 0.00 175.10 171.19 2jke s LYS 467 N -0.09 3.57 0.47 1.54 2.20 0.20 -1.10 119.74 126.54 2jke s LYS 467 Ca -0.01 -0.57 0.08 0.00 -0.36 0.00 0.00 55.97 55.11 2jke s LYS 467 Cb -0.01 -3.67 0.03 0.00 -1.51 0.00 0.00 37.83 32.67 2jke s LYS 467 CO -0.00 -0.35 0.60 -1.54 -0.36 0.00 0.00 175.35 173.69 2jke s SER 468 N 1.69 5.36 0.02 1.43 1.04 0.04 -0.33 113.70 122.95 2jke s SER 468 Ca 0.06 -0.63 -0.25 0.00 0.48 0.00 0.00 55.95 55.61 2jke s SER 468 Cb -0.17 -0.32 0.06 0.00 0.10 0.00 0.00 66.02 65.69 2jke s SER 468 CO 0.09 -0.93 0.57 -0.83 0.98 0.00 0.00 173.24 173.12 2jke s GLY 469 N -4.41 -0.47 -0.38 7.32 0.00 -0.76 -1.10 107.32 107.53 2jke s GLY 469 Ca 0.55 0.82 0.13 0.00 0.00 0.00 0.00 44.72 46.22 2jke s GLY 469 CO 0.33 0.50 0.82 -1.72 0.00 0.00 0.00 173.10 173.04 2jke n TYR 470 N 0.59 0.89 -2.73 1.90 4.01 -1.20 -1.06 117.16 119.57 2jke n TYR 470 Ca -0.19 -3.52 -0.42 0.00 -0.16 0.00 0.00 57.90 53.61 2jke n TYR 470 Cb 0.59 -0.40 -0.03 0.00 -0.31 0.00 0.00 39.34 39.19 2jke n TYR 470 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2jke s VAL 471 N -2.91 4.77 0.00 -0.72 1.01 -1.26 -4.34 120.40 116.95 2jke s VAL 471 Ca 0.37 1.94 0.00 0.00 0.00 0.00 0.00 61.98 64.29 2jke s VAL 471 Cb 0.38 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2jke s VAL 471 CO -0.06 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.60 2jke n GLY 472 N 3.26 2.29 3.76 4.51 0.00 -1.26 -3.07 105.19 114.68 2jke n GLY 472 Ca 0.09 -2.15 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 2jke n GLY 472 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jke s ASN 473 N 0.00 7.06 0.39 1.61 0.02 -1.26 -4.74 114.94 118.02 2jke s ASN 473 Ca 0.00 2.40 -0.27 0.00 -1.02 0.00 0.00 52.86 53.96 2jke s ASN 473 Cb 0.00 -2.63 -0.11 0.00 0.02 0.00 0.00 41.25 38.53 2jke s ASN 473 CO 0.00 -0.30 1.44 -0.38 0.02 0.00 0.00 177.10 177.87 2jke n ILE 474 N 0.97 2.22 -4.06 0.60 2.08 -1.26 -4.80 119.36 115.12 2jke n ILE 474 Ca -0.00 -0.50 -0.33 0.00 0.56 0.00 0.00 62.75 62.47 2jke n ILE 474 Cb 0.44 -1.87 -0.15 0.00 -0.75 0.00 0.00 39.64 37.31 2jke n ILE 474 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2jke s ILE 475 N -1.14 2.39 0.22 1.39 1.01 0.06 -3.41 121.20 121.72 2jke s ILE 475 Ca 0.56 -1.03 -0.30 0.00 0.00 0.00 0.00 60.65 59.88 2jke s ILE 475 Cb -0.48 -2.13 -0.09 0.00 0.01 0.00 0.00 42.46 39.77 2jke s ILE 475 CO 0.62 0.36 1.33 -2.16 0.00 0.00 0.00 174.94 175.09 2jke s PRO 476 N 1.29 4.37 0.14 2.79 0.04 -1.26 -0.59 135.00 141.77 2jke s PRO 476 Ca 0.02 2.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.86 2jke s PRO 476 Cb -0.15 -3.17 -0.07 0.00 0.04 0.00 0.00 34.50 31.15 2jke s PRO 476 CO -0.09 -0.27 1.14 1.03 0.04 0.00 0.00 177.00 178.85 2jke s ARG 477 N -0.33 4.53 0.00 4.56 0.52 -1.22 -2.80 118.95 124.21 2jke s ARG 477 Ca 0.56 1.75 0.00 0.00 -0.52 0.00 0.00 55.73 57.53 2jke s ARG 477 Cb -0.38 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 31.80 2jke s ARG 477 CO 0.40 -0.05 0.00 0.41 0.02 0.00 0.00 175.30 176.09 2jke n GLY 478 N 2.39 2.19 3.86 -3.53 0.00 -1.26 -5.02 105.19 103.82 2jke n GLY 478 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2jke n GLY 478 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jke s GLU 479 N -0.20 3.82 0.32 1.61 0.41 -1.12 -3.72 118.70 119.81 2jke s GLU 479 Ca 0.00 0.64 0.07 0.00 -0.41 0.00 0.00 54.97 55.27 2jke s GLU 479 Cb 0.00 -2.29 -0.03 0.00 -1.78 0.00 0.00 34.13 30.04 2jke s GLU 479 CO 0.00 -0.15 0.31 -1.01 -0.49 0.00 0.00 175.26 173.93 2jke s HIS 480 N -2.50 3.01 0.54 1.61 3.76 -1.26 -4.28 115.29 116.15 2jke s HIS 480 Ca 0.54 -0.24 0.27 0.00 -0.15 0.00 0.00 55.06 55.48 2jke s HIS 480 Cb -0.10 -1.75 1.63 0.00 1.11 0.00 0.00 32.58 33.47 2jke s HIS 480 CO 0.33 0.22 2.19 0.45 -0.85 0.00 0.00 174.74 177.08 2jke h HIS 481 N 1.22 0.00 -0.22 1.40 3.86 -1.75 -3.17 115.15 116.48 2jke h HIS 481 Ca -0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 2jke h HIS 481 Cb 1.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.72 2jke h HIS 481 CO 0.51 0.04 0.00 0.66 0.86 0.00 0.00 177.93 180.00 2jke n TYR 482 N -3.92 0.36 -1.26 2.45 4.01 -1.06 -4.44 117.16 113.30 2jke n TYR 482 Ca -0.03 -0.56 -0.29 0.00 -0.16 0.00 0.00 57.90 56.87 2jke n TYR 482 Cb 0.13 -0.07 0.16 0.00 -0.31 0.00 0.00 39.34 39.25 2jke n TYR 482 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2jke s GLY 483 N -1.17 1.58 0.36 2.72 0.00 -1.20 -1.83 107.32 107.78 2jke s GLY 483 Ca 0.19 -0.33 0.09 0.00 0.00 0.00 0.00 44.72 44.67 2jke s GLY 483 CO 0.10 0.24 1.90 -1.61 0.00 0.00 0.00 173.10 173.74 2jke h GLN 484 N -1.72 0.67 0.08 2.90 4.15 -1.82 -1.04 115.11 118.33 2jke h GLN 484 Ca -0.53 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 58.85 2jke h GLN 484 Cb 1.32 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.86 2jke h GLN 484 CO 0.58 0.44 -0.04 2.35 -1.93 0.00 0.00 178.83 180.23 2jke h TRP 485 N 0.69 -0.10 -0.05 3.99 2.91 -1.92 -1.65 115.95 119.82 2jke h TRP 485 Ca 0.40 -0.00 -0.12 0.00 1.13 0.00 0.00 58.89 60.29 2jke h TRP 485 Cb 0.59 0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.26 2jke h TRP 485 CO -0.00 0.08 -0.53 0.52 -1.03 0.00 0.00 178.44 177.48 2jke h MET 486 N -0.26 0.14 -0.81 2.65 2.86 -1.74 -2.26 114.93 115.51 2jke h MET 486 Ca -0.01 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 2jke h MET 486 Cb 0.22 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 2jke h MET 486 CO 0.02 0.64 0.42 -0.91 1.06 0.00 0.00 176.91 178.14 2jke h ASN 487 N 0.11 1.02 -0.45 1.22 2.35 -0.99 0.04 115.58 118.86 2jke h ASN 487 Ca -0.00 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2jke h ASN 487 Cb 0.98 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 2jke h ASN 487 CO 0.08 0.83 0.28 -1.13 -1.65 0.00 0.00 177.43 175.84 2jke h ASN 488 N 1.13 0.54 -0.27 5.81 -0.73 -1.07 -2.50 115.58 118.49 2jke h ASN 488 Ca 0.28 -0.05 0.03 0.00 1.87 0.00 0.00 56.30 58.44 2jke h ASN 488 Cb 0.06 -0.14 -0.03 0.00 0.27 0.00 0.00 38.32 38.48 2jke h ASN 488 CO -0.04 0.43 0.06 -0.74 -0.37 0.00 0.00 177.43 176.77 2jke h HIS 489 N 0.61 0.11 -0.66 0.67 2.76 -0.61 0.16 115.15 118.18 2jke h HIS 489 Ca 0.16 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.29 2jke h HIS 489 Cb -0.02 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 28.90 2jke h HIS 489 CO -0.03 0.03 0.16 1.88 -1.30 0.00 0.00 177.93 178.67 2jke h TYR 490 N 0.17 1.09 -0.09 5.26 0.05 -0.88 0.02 116.97 122.60 2jke h TYR 490 Ca 0.12 -0.12 -0.18 0.00 0.05 0.00 0.00 58.73 58.60 2jke h TYR 490 Cb 0.12 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 2jke h TYR 490 CO -0.15 0.89 -0.70 1.25 -1.05 0.00 0.00 178.16 178.39 2jke h LEU 491 N 1.00 0.47 -0.77 3.88 5.85 -1.13 -2.53 115.31 122.08 2jke h LEU 491 Ca 0.21 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.67 2jke h LEU 491 Cb 0.35 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 2jke h LEU 491 CO 0.00 1.03 0.48 0.22 -0.34 0.00 0.00 178.44 179.83 2jke h TYR 492 N 0.28 0.89 -0.79 1.25 3.20 0.03 0.24 116.97 122.07 2jke h TYR 492 Ca -0.03 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2jke h TYR 492 Cb 1.27 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 39.21 2jke h TYR 492 CO 0.04 0.48 0.40 0.00 -1.64 0.00 0.00 178.16 177.44 2jke h ALA 493 N 1.35 1.21 -0.09 1.82 0.00 -0.82 -0.35 119.26 122.39 2jke h ALA 493 Ca 0.32 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 2jke h ALA 493 Cb 0.09 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.57 2jke h ALA 493 CO -0.14 0.61 -0.50 0.28 0.00 0.00 0.00 179.25 179.50 2jke h VAL 494 N 1.11 1.38 -0.55 0.00 2.07 -0.93 -1.13 116.25 118.20 2jke h VAL 494 Ca 0.27 -1.85 -0.09 0.00 0.82 0.00 0.00 66.70 65.86 2jke h VAL 494 Cb 0.08 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 2jke h VAL 494 CO -0.04 0.55 -0.02 0.11 0.02 0.00 0.00 177.57 178.19 2jke h LYS 495 N 0.07 0.97 -0.35 1.57 1.57 -0.37 -0.68 116.57 119.34 2jke h LYS 495 Ca -0.04 -0.30 -0.11 0.00 -1.87 0.00 0.00 60.65 58.33 2jke h LYS 495 Cb 1.15 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 2jke h LYS 495 CO 0.10 0.96 -0.22 -0.22 -0.57 0.00 0.00 179.45 179.51 2jke h LYS 496 N 0.88 0.77 -0.96 3.15 3.64 -1.09 -2.55 116.57 120.41 2jke h LYS 496 Ca 0.16 -0.36 0.09 0.00 -1.27 0.00 0.00 60.65 59.28 2jke h LYS 496 Cb 0.54 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.28 2jke h LYS 496 CO 0.03 0.98 0.61 0.00 -2.27 0.00 0.00 179.45 178.80 2jke h ALA 497 N 0.77 1.53 -0.59 5.00 0.00 -0.95 -1.50 119.26 123.52 2jke h ALA 497 Ca 0.07 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2jke h ALA 497 Cb 0.77 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2jke h ALA 497 CO 0.06 0.28 0.23 0.00 0.00 0.00 0.00 179.25 179.82 2jke h ALA 498 N 1.52 1.30 0.00 0.00 0.00 -0.72 -0.15 119.26 121.21 2jke h ALA 498 Ca 0.44 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2jke h ALA 498 Cb 0.35 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2jke h ALA 498 CO -0.20 0.52 -0.03 -0.44 0.00 0.00 0.00 179.25 179.10 2jke h ASP 499 N 0.85 0.00 -0.25 0.00 3.32 -0.99 -1.09 116.42 118.27 2jke h ASP 499 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2jke h ASP 499 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2jke h ASP 499 CO -0.02 0.03 0.00 -1.22 -1.72 0.00 0.00 179.24 176.31 2jke n TYR 500 N -4.39 0.32 -3.74 4.55 4.01 -0.43 -4.95 117.16 112.52 2jke n TYR 500 Ca -0.03 -0.16 -0.23 0.00 -0.16 0.00 0.00 57.90 57.32 2jke n TYR 500 Cb 0.12 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.18 2jke n TYR 500 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2jke n LYS 501 N 0.71 -5.15 -4.89 -0.72 5.02 -0.41 -5.00 118.16 107.72 2jke n LYS 501 Ca 0.17 0.63 -0.33 0.00 -2.02 0.00 0.00 58.31 56.76 2jke n LYS 501 Cb 0.42 -5.27 -0.14 0.00 -0.02 0.00 0.00 35.03 30.02 2jke n LYS 501 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jke s ILE 502 N -3.58 2.96 0.07 -0.18 1.01 -0.20 -4.91 121.20 116.37 2jke s ILE 502 Ca 0.15 -0.74 -0.10 0.00 0.00 0.00 0.00 60.65 59.96 2jke s ILE 502 Cb -0.07 -2.18 -0.06 0.00 0.01 0.00 0.00 42.46 40.16 2jke s ILE 502 CO 0.81 0.57 0.41 -0.04 0.00 0.00 0.00 174.94 176.69 2jke s MET 503 N -0.34 3.78 -0.04 2.79 -1.94 -0.49 -4.08 119.30 118.98 2jke s MET 503 Ca 0.03 0.20 0.05 0.00 -1.71 0.00 0.00 55.69 54.26 2jke s MET 503 Cb -0.13 -3.01 -0.01 0.00 2.01 0.00 0.00 34.83 33.69 2jke s MET 503 CO 0.02 0.57 -0.19 0.08 -0.01 0.00 0.00 175.02 175.49 2jke s VAL 504 N -1.37 1.55 -0.24 -6.03 1.01 0.08 -1.16 120.40 114.24 2jke s VAL 504 Ca 0.32 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2jke s VAL 504 Cb -0.14 -1.31 0.06 0.00 0.00 0.00 0.00 36.38 34.99 2jke s VAL 504 CO 0.18 0.44 -0.03 0.21 0.00 0.00 0.00 175.10 175.90 2jke s ASN 505 N -0.12 3.75 -0.30 3.32 2.47 -0.26 -1.65 114.94 122.16 2jke s ASN 505 Ca -0.01 -1.18 -0.06 0.00 0.42 0.00 0.00 52.86 52.03 2jke s ASN 505 Cb -0.11 -1.09 0.01 0.00 -1.45 0.00 0.00 41.25 38.61 2jke s ASN 505 CO 0.02 -0.26 0.07 0.00 -3.72 0.00 0.00 177.10 173.21 2jke s ALA 506 N 1.46 3.03 0.47 1.71 0.00 -0.81 -0.78 121.76 126.83 2jke s ALA 506 Ca -0.04 -1.50 -0.19 0.00 0.00 0.00 0.00 51.96 50.23 2jke s ALA 506 Cb -0.19 -2.12 -0.09 0.00 0.00 0.00 0.00 23.12 20.72 2jke s ALA 506 CO -0.07 -0.97 0.98 -1.01 0.00 0.00 0.00 175.76 174.69 2jke s HIS 507 N 1.47 3.25 0.00 0.00 3.76 -0.25 -2.94 115.29 120.58 2jke s HIS 507 Ca 0.02 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.49 2jke s HIS 507 Cb -0.17 -2.89 0.00 0.00 1.11 0.00 0.00 32.58 30.62 2jke s HIS 507 CO 0.02 -0.39 0.00 0.39 -0.85 0.00 0.00 174.74 173.91 2jke n GLU 508 N -1.02 -0.29 -1.67 1.40 4.71 -1.26 -3.23 120.64 119.27 2jke n GLU 508 Ca 0.07 0.07 -0.30 0.00 -0.01 0.00 0.00 57.16 57.00 2jke n GLU 508 Cb 0.54 -4.01 0.09 0.00 -1.01 0.00 0.00 31.44 27.05 2jke n GLU 508 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2jke s ALA 509 N -1.77 2.33 0.20 0.62 0.00 -1.25 -4.85 121.76 117.04 2jke s ALA 509 Ca 0.00 -0.38 -0.32 0.00 0.00 0.00 0.00 51.96 51.26 2jke s ALA 509 Cb 0.00 -3.05 -0.15 0.00 0.00 0.00 0.00 23.12 19.92 2jke s ALA 509 CO 0.00 -1.73 1.19 2.41 0.00 0.00 0.00 175.76 177.62 2jke n THR 510 N -3.41 1.08 -1.99 0.00 -1.04 -1.26 -4.59 114.28 103.07 2jke n THR 510 Ca 0.07 -0.27 -0.37 0.00 -2.04 0.00 0.00 64.05 61.44 2jke n THR 510 Cb 0.58 -0.99 0.02 0.00 -1.82 0.00 0.00 70.33 68.12 2jke n THR 510 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jke s ARG 511 N -0.57 3.32 0.59 -2.82 1.04 -1.26 -4.95 118.95 114.30 2jke s ARG 511 Ca 0.70 2.00 -0.15 0.00 -1.04 0.00 0.00 55.73 57.24 2jke s ARG 511 Cb -0.79 -2.25 -0.04 0.00 -2.04 0.00 0.00 34.95 29.83 2jke s ARG 511 CO 0.53 -0.97 1.04 -1.25 -0.04 0.00 0.00 175.30 174.60 2jke s PRO 512 N -2.91 3.44 -0.02 3.89 0.04 -1.26 -4.98 135.00 133.20 2jke s PRO 512 Ca 0.70 1.09 0.13 0.00 0.04 0.00 0.00 61.00 62.96 2jke s PRO 512 Cb -0.35 -2.06 0.23 0.00 0.04 0.00 0.00 34.50 32.37 2jke s PRO 512 CO 0.41 -0.70 1.09 0.25 0.04 0.00 0.00 177.00 178.09 2jke n THR 513 N -2.08 0.24 -0.11 1.26 -2.24 -1.22 -4.44 114.28 105.69 2jke n THR 513 Ca 0.08 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 2jke n THR 513 Cb 0.53 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 2jke n THR 513 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jke n GLY 514 N 0.07 0.83 0.21 3.38 0.00 0.83 -1.65 105.19 108.86 2jke n GLY 514 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.22 2jke n GLY 514 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2jke h ILE 515 N 0.00 0.00 -0.49 -0.61 2.04 -1.93 -2.04 117.51 114.47 2jke h ILE 515 Ca 0.00 -0.34 0.14 0.00 1.00 0.00 0.00 64.86 65.66 2jke h ILE 515 Cb 0.00 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2jke h ILE 515 CO 0.00 0.00 0.37 0.00 0.00 0.00 0.00 178.15 178.52 2jke h ARG 517 N 0.00 0.49 -0.11 0.00 2.43 -1.68 -1.69 114.38 113.82 2jke h ARG 517 Ca 0.23 -0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 59.15 2jke h ARG 517 Cb 0.97 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.42 2jke h ARG 517 CO -0.00 0.33 -0.82 1.15 -1.51 0.00 0.00 179.97 179.12 2jke h THR 518 N 0.51 1.30 -3.00 0.20 2.02 -0.94 -3.02 112.91 109.97 2jke h THR 518 Ca 0.19 -2.07 -0.62 0.00 0.77 0.00 0.00 66.41 64.69 2jke h THR 518 Cb 0.06 2.09 -0.40 0.00 -1.74 0.00 0.00 68.15 68.16 2jke h THR 518 CO -0.11 0.65 -0.72 -0.31 0.37 0.00 0.00 175.52 175.40 2jke s TYR 519 N -3.64 2.37 -1.66 3.16 2.02 0.02 -0.64 117.35 118.98 2jke s TYR 519 Ca -0.09 -2.70 0.16 0.00 -0.37 0.00 0.00 57.07 54.07 2jke s TYR 519 Cb 0.09 -2.09 0.87 0.00 -0.40 0.00 0.00 41.96 40.43 2jke s TYR 519 CO 0.89 -0.74 1.43 -2.30 -1.57 0.00 0.00 175.55 173.26 2jke n PRO 520 N 3.12 0.34 0.00 -1.71 -0.02 -0.65 -1.49 135.00 134.59 2jke n PRO 520 Ca 0.12 0.08 0.15 0.00 -2.02 0.00 0.00 63.50 61.83 2jke n PRO 520 Cb 0.36 -1.50 0.71 0.00 -0.02 0.00 0.00 33.50 33.05 2jke n PRO 520 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2jke n ASN 521 N -1.17 0.06 -4.55 2.55 6.94 -1.26 -4.33 115.26 113.50 2jke n ASN 521 Ca 0.09 -0.09 -0.42 0.00 -0.02 0.00 0.00 54.58 54.14 2jke n ASN 521 Cb 0.10 -0.28 -0.02 0.00 -2.36 0.00 0.00 39.78 37.22 2jke n ASN 521 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2jke s LEU 522 N -2.63 3.90 0.00 -4.53 2.96 -0.55 -0.74 118.68 117.08 2jke s LEU 522 Ca 0.26 -1.91 0.27 0.00 -0.22 0.00 0.00 54.13 52.53 2jke s LEU 522 Cb 0.20 -2.54 0.81 0.00 0.50 0.00 0.00 46.19 45.16 2jke s LEU 522 CO 0.48 -1.31 1.60 2.30 -1.32 0.00 0.00 176.35 178.10 2jke n ILE 523 N 6.42 0.00 -3.54 6.68 -5.35 -0.66 -4.75 119.36 118.16 2jke n ILE 523 Ca 0.37 -0.21 -0.07 0.00 -0.27 0.00 0.00 62.75 62.57 2jke n ILE 523 Cb 0.49 0.55 -0.02 0.00 -1.74 0.00 0.00 39.64 38.92 2jke n ILE 523 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2jke s GLY 524 N -2.25 -0.41 0.16 3.28 0.00 -1.16 -4.47 107.32 102.47 2jke s GLY 524 Ca 0.30 1.15 -0.05 0.00 0.00 0.00 0.00 44.72 46.13 2jke s GLY 524 CO 0.43 0.38 0.18 -1.31 0.00 0.00 0.00 173.10 172.78 2jke s ASN 525 N -2.41 0.15 0.00 1.64 0.01 -1.22 -1.92 114.94 111.18 2jke s ASN 525 Ca 0.07 -1.09 0.00 0.00 -0.71 0.00 0.00 52.86 51.12 2jke s ASN 525 Cb -0.01 0.38 0.00 0.00 0.41 0.00 0.00 41.25 42.03 2jke s ASN 525 CO -0.07 -0.84 0.00 1.21 -1.51 0.00 0.00 177.10 175.89 2jke n GLU 526 N -0.19 0.00 -2.95 -0.60 2.13 -1.15 -0.91 120.64 116.98 2jke n GLU 526 Ca -0.05 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.60 2jke n GLU 526 Cb 0.64 -0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.38 2jke n GLU 526 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2jke n SER 527 N -0.01 -5.10 -3.64 4.31 7.64 -1.26 -4.76 113.62 110.80 2jke n SER 527 Ca 0.00 -0.26 0.04 0.00 1.01 0.00 0.00 58.87 59.66 2jke n SER 527 Cb 0.00 -3.89 0.00 0.00 -1.01 0.00 0.00 64.21 59.31 2jke n SER 527 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jke s ALA 528 N -3.07 -2.53 -0.23 -0.43 0.00 -1.26 -4.67 121.76 109.57 2jke s ALA 528 Ca 0.28 0.79 -0.29 0.00 0.00 0.00 0.00 51.96 52.74 2jke s ALA 528 Cb -0.12 0.37 -0.00 0.00 0.00 0.00 0.00 23.12 23.36 2jke s ALA 528 CO 0.34 -1.08 1.25 0.50 0.00 0.00 0.00 175.76 176.78 2jke s ARG 529 N -2.06 4.11 0.00 0.00 3.52 -1.22 -4.63 118.95 118.66 2jke s ARG 529 Ca 0.18 1.46 0.00 0.00 -0.13 0.00 0.00 55.73 57.23 2jke s ARG 529 Cb 0.06 -3.80 0.00 0.00 -1.56 0.00 0.00 34.95 29.65 2jke s ARG 529 CO -0.06 -0.87 0.00 0.41 -0.81 0.00 0.00 175.30 173.98 2jke n GLY 530 N 3.87 2.86 0.29 8.12 0.00 -1.26 -4.99 105.19 114.07 2jke n GLY 530 Ca 0.14 -2.15 0.13 0.00 0.00 0.00 0.00 46.02 44.14 2jke n GLY 530 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2jke h THR 531 N 0.34 0.69 -0.91 2.61 2.02 -1.72 -1.83 112.91 114.12 2jke h THR 531 Ca 0.00 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.39 2jke h THR 531 Cb 0.00 0.99 -0.07 0.00 -1.74 0.00 0.00 68.15 67.33 2jke h THR 531 CO 0.00 0.00 0.60 1.05 0.37 0.00 0.00 175.52 177.54 2jke h GLU 532 N 0.00 0.38 0.00 6.66 4.11 -1.90 0.22 114.58 124.04 2jke h GLU 532 Ca 0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2jke h GLU 532 Cb 0.04 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2jke h GLU 532 CO -0.00 0.25 0.00 0.66 0.07 0.00 0.00 179.01 179.99 2jke n TYR 533 N -4.50 0.50 0.33 2.06 4.02 -0.69 -1.47 117.16 117.40 2jke n TYR 533 Ca 0.19 0.19 0.15 0.00 -0.01 0.00 0.00 57.90 58.42 2jke n TYR 533 Cb 0.72 -0.80 0.62 0.00 -0.02 0.00 0.00 39.34 39.86 2jke n TYR 533 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2jke h GLU 534 N 0.00 0.00 0.00 -0.72 4.39 -0.71 0.90 114.58 118.44 2jke h GLU 534 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jke h GLU 534 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2jke h GLU 534 CO 0.00 0.00 -0.91 0.45 -1.16 0.00 0.00 179.01 177.39 2jke n SER 535 N -2.59 0.76 -1.18 1.42 2.88 -0.54 -3.85 113.62 110.51 2jke n SER 535 Ca 0.01 -0.62 -0.04 0.00 -1.33 0.00 0.00 58.87 56.88 2jke n SER 535 Cb 0.22 0.80 0.20 0.00 -0.75 0.00 0.00 64.21 64.69 2jke n SER 535 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2jke n PHE 536 N -1.61 1.12 0.00 0.66 3.72 -0.12 -4.62 117.46 116.62 2jke n PHE 536 Ca 0.04 -1.59 0.00 0.00 -0.05 0.00 0.00 57.45 55.84 2jke n PHE 536 Cb 0.36 -0.50 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 2jke n PHE 536 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jke n GLY 537 N -1.11 1.80 0.00 1.37 0.00 -1.15 -5.02 105.19 101.08 2jke n GLY 537 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2jke n GLY 537 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jke n GLY 538 N 0.00 2.94 3.95 -0.02 0.00 0.12 -4.67 105.19 107.51 2jke n GLY 538 Ca 0.00 -1.89 -0.24 0.00 0.00 0.00 0.00 46.02 43.89 2jke n GLY 538 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jke s ASN 539 N 0.00 6.34 0.57 1.61 0.01 -1.26 -4.64 114.94 117.57 2jke s ASN 539 Ca 0.00 0.19 -0.21 0.00 -0.71 0.00 0.00 52.86 52.14 2jke s ASN 539 Cb 0.00 -1.92 -0.04 0.00 0.41 0.00 0.00 41.25 39.70 2jke s ASN 539 CO 0.00 -0.04 1.32 0.29 -1.51 0.00 0.00 177.10 177.16 2jke n LYS 540 N -1.00 1.50 -0.13 -0.60 5.02 -1.26 -4.58 118.16 117.12 2jke n LYS 540 Ca -0.07 0.56 0.12 0.00 -2.02 0.00 0.00 58.31 56.90 2jke n LYS 540 Cb 0.55 -2.54 0.47 0.00 -0.02 0.00 0.00 35.03 33.49 2jke n LYS 540 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2jke h VAL 541 N 1.15 0.89 -0.10 -0.18 2.07 -1.97 -1.06 116.25 117.05 2jke h VAL 541 Ca -0.51 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2jke h VAL 541 Cb 1.32 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2jke h VAL 541 CO 0.56 0.09 0.00 0.00 0.02 0.00 0.00 177.57 178.24 2jke n TYR 542 N -4.48 0.12 -0.09 1.57 0.18 -1.26 -4.50 117.16 108.70 2jke n TYR 542 Ca 0.11 -0.06 -0.06 0.00 1.88 0.00 0.00 57.90 59.77 2jke n TYR 542 Cb 0.38 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.34 2jke n TYR 542 CO 0.00 0.00 0.00 1.25 -2.08 0.00 0.00 176.86 176.03 2jke h HIS 543 N 1.17 -0.20 0.00 -3.48 2.76 -1.54 -0.56 115.15 113.31 2jke h HIS 543 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2jke h HIS 543 Cb 0.26 0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.36 2jke h HIS 543 CO 0.06 -0.15 0.00 0.25 -1.30 0.00 0.00 177.93 176.79 2jke n THR 544 N -5.28 0.30 1.36 6.26 -2.24 -1.26 -1.46 114.28 111.96 2jke n THR 544 Ca 0.01 0.07 0.13 0.00 -2.27 0.00 0.00 64.05 61.99 2jke n THR 544 Cb 0.19 -0.72 0.43 0.00 -2.10 0.00 0.00 70.33 68.13 2jke n THR 544 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2jke n THR 545 N -1.26 0.00 -0.06 4.28 -2.24 -0.23 -4.29 114.28 110.49 2jke n THR 545 Ca 0.11 -0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.58 2jke n THR 545 Cb 0.16 0.55 -0.06 0.00 -2.10 0.00 0.00 70.33 68.88 2jke n THR 545 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2jke n ILE 546 N -0.06 0.70 -0.31 2.28 5.41 -0.53 -2.22 119.36 124.62 2jke n ILE 546 Ca 0.16 -0.26 0.11 0.00 1.00 0.00 0.00 62.75 63.76 2jke n ILE 546 Cb 0.37 -0.97 0.28 0.00 -0.71 0.00 0.00 39.64 38.62 2jke n ILE 546 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2jke h LEU 547 N -0.02 0.47 -2.02 1.39 3.38 -1.58 -0.19 115.31 116.74 2jke h LEU 547 Ca -0.27 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2jke h LEU 547 Cb 1.41 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.23 2jke h LEU 547 CO -0.05 0.11 -0.03 -0.65 0.09 0.00 0.00 178.44 177.92 2jke h PRO 548 N 0.53 0.00 0.00 1.13 0.11 -1.86 -1.41 132.00 130.50 2jke h PRO 548 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 2jke h PRO 548 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2jke h PRO 548 CO -0.45 0.03 -0.58 1.19 -0.21 0.00 0.00 178.00 177.98 2jke n PHE 549 N -3.18 0.35 0.00 0.65 3.72 -0.11 -4.36 117.46 114.53 2jke n PHE 549 Ca -0.01 0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 2jke n PHE 549 Cb 0.22 -0.52 0.00 0.00 -0.94 0.00 0.00 39.48 38.24 2jke n PHE 549 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2jke n THR 550 N -1.90 0.00 -0.29 4.37 -2.24 -0.67 -4.72 114.28 108.84 2jke n THR 550 Ca 0.04 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.91 2jke n THR 550 Cb 0.40 -0.13 0.24 0.00 -2.10 0.00 0.00 70.33 68.75 2jke n THR 550 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2jke h ARG 551 N 0.00 0.46 0.00 -0.78 9.65 -1.62 -1.83 114.38 120.26 2jke h ARG 551 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2jke h ARG 551 Cb 0.00 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.48 2jke h ARG 551 CO 0.00 0.30 0.00 1.28 2.80 0.00 0.00 179.97 184.35 2jke n LEU 552 N -4.99 0.60 -4.61 3.80 4.77 -0.62 -4.49 117.00 111.46 2jke n LEU 552 Ca 0.18 0.63 -0.43 0.00 -0.03 0.00 0.00 56.01 56.36 2jke n LEU 552 Cb 0.51 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 2jke n LEU 552 CO 0.17 -0.46 1.27 -0.69 -1.33 0.00 0.00 177.39 176.34 2jke s VAL 553 N -3.25 3.87 0.00 4.08 1.01 -0.69 -1.78 120.40 123.64 2jke s VAL 553 Ca 0.06 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.96 2jke s VAL 553 Cb 0.10 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2jke s VAL 553 CO 0.41 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.54 2jke n GLY 554 N 4.89 2.14 0.00 4.51 0.00 -1.26 -4.73 105.19 110.74 2jke n GLY 554 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2jke n GLY 554 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jke n GLY 555 N -0.51 3.17 3.77 -0.02 0.00 -0.74 -0.12 105.19 110.76 2jke n GLY 555 Ca 0.00 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 2jke n GLY 555 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jke s PRO 556 N -2.05 1.97 -0.02 1.61 0.04 -1.26 -4.41 135.00 130.87 2jke s PRO 556 Ca 0.00 0.82 0.07 0.00 0.04 0.00 0.00 61.00 61.94 2jke s PRO 556 Cb 0.00 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 2jke s PRO 556 CO 0.00 -1.75 -0.24 1.41 0.04 0.00 0.00 177.00 176.46 2jke s MET 557 N -5.03 2.16 -1.15 4.56 1.75 -1.25 -3.46 119.30 116.88 2jke s MET 557 Ca 0.61 -0.90 -0.18 0.00 -1.25 0.00 0.00 55.69 53.97 2jke s MET 557 Cb -0.16 -2.10 0.10 0.00 2.84 0.00 0.00 34.83 35.52 2jke s MET 557 CO 0.55 0.57 1.48 0.34 -0.65 0.00 0.00 175.02 177.32 2jke s ASP 558 N -0.68 6.79 0.24 1.11 2.15 -0.08 -4.74 116.67 121.46 2jke s ASP 558 Ca 0.10 -2.31 0.24 0.00 0.43 0.00 0.00 52.55 51.01 2jke s ASP 558 Cb -0.10 -2.50 0.39 0.00 -0.30 0.00 0.00 42.92 40.41 2jke s ASP 558 CO -0.00 -1.11 1.45 0.22 -0.17 0.00 0.00 175.17 175.56 2jke h TYR 559 N 8.16 0.00 -5.93 -5.34 3.20 -1.87 -3.43 116.97 111.76 2jke h TYR 559 Ca 0.31 0.00 -0.37 0.00 3.14 0.00 0.00 58.73 61.81 2jke h TYR 559 Cb 0.93 0.00 0.13 0.00 1.54 0.00 0.00 36.73 39.32 2jke h TYR 559 CO 1.26 0.00 -0.90 0.25 -1.64 0.00 0.00 178.16 177.13 2jke n THR 560 N -2.50 -6.94 -1.00 1.81 -2.24 -1.26 -2.18 114.28 99.97 2jke n THR 560 Ca 0.03 -1.06 -0.19 0.00 -2.27 0.00 0.00 64.05 60.56 2jke n THR 560 Cb 0.48 -5.09 0.16 0.00 -2.10 0.00 0.00 70.33 63.78 2jke n THR 560 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2jke n PRO 561 N -3.85 -2.10 -0.19 -0.78 -0.04 -1.25 -4.54 135.00 122.25 2jke n PRO 561 Ca -0.10 -1.17 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 2jke n PRO 561 Cb 0.61 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 2jke n PRO 561 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jke n GLY 562 N -1.91 1.60 3.63 0.55 0.00 -1.26 -1.60 105.19 106.20 2jke n GLY 562 Ca 0.10 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2jke n GLY 562 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jke s ILE 563 N -2.00 4.83 -0.24 -0.61 -1.09 -1.26 -3.68 121.20 117.16 2jke s ILE 563 Ca 0.00 1.43 -0.02 0.00 -2.23 0.00 0.00 60.65 59.83 2jke s ILE 563 Cb 0.00 -4.11 -0.18 0.00 -1.58 0.00 0.00 42.46 36.59 2jke s ILE 563 CO 0.00 -0.12 -0.13 0.49 -1.23 0.00 0.00 174.94 173.95 2jke n PHE 564 N 6.04 0.24 -2.87 3.97 3.01 -1.26 -4.67 117.46 121.93 2jke n PHE 564 Ca 0.05 0.06 -0.43 0.00 1.01 0.00 0.00 57.45 58.13 2jke n PHE 564 Cb 0.48 -1.03 -0.03 0.00 -0.01 0.00 0.00 39.48 38.88 2jke n PHE 564 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2jke s GLU 565 N -2.52 3.28 0.00 -1.08 2.56 -1.26 -4.87 118.70 114.80 2jke s GLU 565 Ca -0.33 -1.14 0.28 0.00 0.00 0.00 0.00 54.97 53.78 2jke s GLU 565 Cb 0.09 -4.49 1.13 0.00 2.00 0.00 0.00 34.13 32.87 2jke s GLU 565 CO 0.62 -1.81 1.81 0.25 -0.56 0.00 0.00 175.26 175.56 2jke n THR 566 N 5.82 0.00 -3.13 -1.70 -2.24 -1.26 -4.58 114.28 107.19 2jke n THR 566 Ca 0.06 -0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 2jke n THR 566 Cb 0.47 -0.08 -0.07 0.00 -2.10 0.00 0.00 70.33 68.55 2jke n THR 566 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2jke s HIS 567 N -2.58 3.06 -0.11 4.78 3.76 -1.26 -0.82 115.29 122.12 2jke s HIS 567 Ca 0.25 -0.18 0.28 0.00 -0.15 0.00 0.00 55.06 55.26 2jke s HIS 567 Cb 0.20 -3.35 1.34 0.00 1.11 0.00 0.00 32.58 31.87 2jke s HIS 567 CO 0.50 -0.90 1.84 0.00 -0.85 0.00 0.00 174.74 175.34 2jke n ASN 569 N -2.52 0.11 0.20 0.00 0.23 -0.88 -1.32 115.26 111.08 2jke n ASN 569 Ca -0.00 0.53 0.12 0.00 -0.53 0.00 0.00 54.58 54.70 2jke n ASN 569 Cb 0.15 -0.55 0.17 0.00 -2.08 0.00 0.00 39.78 37.47 2jke n ASN 569 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2jke h LYS 570 N 0.00 0.00 0.11 -3.83 1.57 -1.77 -3.13 116.57 109.51 2jke h LYS 570 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 2jke h LYS 570 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 2jke h LYS 570 CO 0.00 0.00 -1.26 0.52 -0.57 0.00 0.00 179.45 178.14 2jke h MET 571 N 0.00 0.23 -2.76 3.15 2.86 -1.40 -3.47 114.93 113.54 2jke h MET 571 Ca 0.00 -0.39 -0.32 0.00 -2.06 0.00 0.00 59.70 56.93 2jke h MET 571 Cb 0.98 0.14 -0.36 0.00 0.06 0.00 0.00 31.60 32.43 2jke h MET 571 CO 0.00 1.19 -0.63 1.21 1.06 0.00 0.00 176.91 179.73 2jke s ASN 572 N -6.98 1.23 0.31 1.22 2.47 -0.75 -4.42 114.94 108.03 2jke s ASN 572 Ca -0.19 -0.05 0.25 0.00 0.42 0.00 0.00 52.86 53.28 2jke s ASN 572 Cb 0.04 0.31 1.11 0.00 -1.45 0.00 0.00 41.25 41.26 2jke s ASN 572 CO 0.76 -0.30 1.75 1.55 -3.72 0.00 0.00 177.10 177.14 2jke h PRO 573 N 8.34 0.00 -0.00 0.43 0.13 -1.82 0.14 132.00 139.21 2jke h PRO 573 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2jke h PRO 573 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2jke h PRO 573 CO 0.23 0.00 -0.11 0.00 -0.23 0.00 0.00 178.00 177.89 2jke n ALA 574 N -1.81 2.68 -2.91 -0.56 0.00 -1.26 -4.71 120.51 111.94 2jke n ALA 574 Ca 0.01 -0.20 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 2jke n ALA 574 Cb 0.19 -1.38 -0.09 0.00 0.00 0.00 0.00 19.45 18.17 2jke n ALA 574 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2jke s ASN 575 N -2.76 5.99 -0.08 0.00 3.84 0.04 -4.93 114.94 117.03 2jke s ASN 575 Ca 0.21 -1.29 0.15 0.00 0.21 0.00 0.00 52.86 52.14 2jke s ASN 575 Cb 0.19 -2.12 0.58 0.00 -0.55 0.00 0.00 41.25 39.35 2jke s ASN 575 CO 0.53 -0.58 1.46 0.59 -2.79 0.00 0.00 177.10 176.31 2jke n ASN 576 N 5.11 3.82 -4.75 -4.21 5.03 -1.26 -2.08 115.26 116.93 2jke n ASN 576 Ca -0.12 -2.30 -0.37 0.00 0.87 0.00 0.00 54.58 52.66 2jke n ASN 576 Cb 0.44 -0.50 0.03 0.00 -1.02 0.00 0.00 39.78 38.74 2jke n ASN 576 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2jke s SER 577 N -0.84 5.27 -0.07 6.41 0.15 -1.26 -4.86 113.70 118.50 2jke s SER 577 Ca 0.41 2.54 0.01 0.00 0.70 0.00 0.00 55.95 59.61 2jke s SER 577 Cb 0.26 -2.62 0.02 0.00 -1.71 0.00 0.00 66.02 61.97 2jke s SER 577 CO 0.21 -1.55 -0.07 -1.58 1.20 0.00 0.00 173.24 171.45 2jke s GLN 578 N -3.10 1.25 0.21 5.44 0.74 -1.26 -1.57 119.66 121.37 2jke s GLN 578 Ca 0.74 -0.22 -0.31 0.00 0.05 0.00 0.00 55.36 55.62 2jke s GLN 578 Cb -0.35 -1.18 -0.10 0.00 1.10 0.00 0.00 33.01 32.48 2jke s GLN 578 CO 0.39 -0.09 1.54 0.08 -0.55 0.00 0.00 175.29 176.66 2jke s VAL 579 N 1.05 2.53 -1.40 1.34 1.01 0.00 -4.55 120.40 120.38 2jke s VAL 579 Ca -0.08 0.41 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 2jke s VAL 579 Cb -0.14 -3.26 0.08 0.00 0.00 0.00 0.00 36.38 33.06 2jke s VAL 579 CO -0.00 0.05 2.15 0.54 0.00 0.00 0.00 175.10 177.83 2jke n ARG 580 N 3.26 3.27 -3.49 2.72 3.00 -1.26 -4.85 116.66 119.30 2jke n ARG 580 Ca 0.11 -2.96 -0.16 0.00 -0.01 0.00 0.00 57.85 54.84 2jke n ARG 580 Cb 0.39 -3.09 -0.05 0.00 0.00 0.00 0.00 32.46 29.71 2jke n ARG 580 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2jke s SER 581 N 2.13 -0.62 0.60 0.55 0.15 -1.26 -4.73 113.70 110.52 2jke s SER 581 Ca 0.46 0.46 -0.04 0.00 0.70 0.00 0.00 55.95 57.53 2jke s SER 581 Cb 0.13 0.55 0.03 0.00 -1.71 0.00 0.00 66.02 65.01 2jke s SER 581 CO -0.05 -0.72 0.88 0.42 1.20 0.00 0.00 173.24 174.97 2jke s THR 582 N -2.07 3.14 0.19 6.45 -4.23 -0.63 -4.67 115.64 113.82 2jke s THR 582 Ca -0.06 -0.26 -0.12 0.00 -1.18 0.00 0.00 61.69 60.06 2jke s THR 582 Cb -0.00 -3.25 0.10 0.00 1.34 0.00 0.00 72.50 70.69 2jke s THR 582 CO 0.02 -0.23 1.84 0.40 -0.54 0.00 0.00 174.62 176.10 2jke h ILE 583 N -0.17 1.17 0.00 2.99 2.04 -1.27 -2.59 117.51 119.68 2jke h ILE 583 Ca -0.45 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.00 2jke h ILE 583 Cb 1.28 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 2jke h ILE 583 CO 0.59 0.17 -0.27 0.00 0.00 0.00 0.00 178.15 178.64 2jke h ALA 584 N 1.21 1.50 -0.09 1.87 0.00 -1.85 -1.54 119.26 120.35 2jke h ALA 584 Ca 0.22 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2jke h ALA 584 Cb -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2jke h ALA 584 CO -0.04 0.34 -0.63 -0.09 0.00 0.00 0.00 179.25 178.82 2jke h ARG 585 N 0.00 0.32 -0.73 0.00 1.12 -1.69 -1.55 114.38 111.85 2jke h ARG 585 Ca -0.00 -0.23 -0.02 0.00 -1.11 0.00 0.00 59.98 58.63 2jke h ARG 585 Cb 0.49 0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 30.45 2jke h ARG 585 CO 0.03 0.84 0.39 1.96 -3.11 0.00 0.00 179.97 180.09 2jke h GLN 586 N 0.23 1.02 -0.70 0.20 1.08 -0.92 -1.65 115.11 114.37 2jke h GLN 586 Ca -0.01 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.04 2jke h GLN 586 Cb 1.16 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 28.35 2jke h GLN 586 CO 0.10 0.75 0.29 -0.07 -0.95 0.00 0.00 178.83 178.95 2jke h LEU 587 N 1.02 0.95 -1.77 1.46 3.38 -1.09 -2.96 115.31 116.31 2jke h LEU 587 Ca 0.26 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.12 2jke h LEU 587 Cb 0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2jke h LEU 587 CO -0.04 0.86 0.26 0.00 0.09 0.00 0.00 178.44 179.60 2jke h ALA 588 N 1.13 1.99 0.00 1.53 0.00 -0.35 -2.68 119.26 120.88 2jke h ALA 588 Ca 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2jke h ALA 588 Cb 0.19 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2jke h ALA 588 CO -0.02 -0.05 -0.07 -0.07 0.00 0.00 0.00 179.25 179.04 2jke h LEU 589 N 0.29 0.00 -2.05 0.00 3.38 -1.26 0.17 115.31 115.84 2jke h LEU 589 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2jke h LEU 589 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2jke h LEU 589 CO -0.03 0.07 0.00 1.88 0.09 0.00 0.00 178.44 180.44 2jke h TYR 590 N 0.00 0.00 0.00 1.13 0.05 -1.63 0.11 116.97 116.63 2jke h TYR 590 Ca -0.00 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.54 2jke h TYR 590 Cb 0.21 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.91 2jke h TYR 590 CO 0.00 0.00 -1.92 0.28 -1.05 0.00 0.00 178.16 175.47 2jke n VAL 591 N -2.89 0.93 0.37 -2.88 0.31 -0.13 -4.72 118.33 109.33 2jke n VAL 591 Ca -0.01 -0.43 0.12 0.00 -0.01 0.00 0.00 64.34 64.01 2jke n VAL 591 Cb 0.16 -0.94 0.12 0.00 -0.91 0.00 0.00 33.84 32.27 2jke n VAL 591 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2jke h THR 592 N 0.00 0.00 -3.51 2.52 1.35 -1.00 -3.38 112.91 108.90 2jke h THR 592 Ca -0.36 -0.72 -0.71 0.00 -0.55 0.00 0.00 66.41 64.06 2jke h THR 592 Cb 1.65 1.34 -0.34 0.00 -1.73 0.00 0.00 68.15 69.07 2jke h THR 592 CO -0.03 0.00 -0.18 -0.04 -0.25 0.00 0.00 175.52 175.02 2jke s MET 593 N -3.24 3.01 0.25 4.72 1.00 0.02 -4.82 119.30 120.24 2jke s MET 593 Ca 0.04 -2.81 -0.31 0.00 0.00 0.00 0.00 55.69 52.61 2jke s MET 593 Cb 0.11 -3.93 -0.13 0.00 0.00 0.00 0.00 34.83 30.89 2jke s MET 593 CO 0.73 -1.22 1.54 0.98 0.00 0.00 0.00 175.02 177.05 2jke n TYR 594 N 3.11 2.52 -3.63 -0.03 9.36 -1.26 -4.76 117.16 122.47 2jke n TYR 594 Ca 0.14 0.30 -0.09 0.00 3.32 0.00 0.00 57.90 61.57 2jke n TYR 594 Cb 0.39 -2.55 -0.07 0.00 -0.63 0.00 0.00 39.34 36.48 2jke n TYR 594 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2jke s SER 595 N 0.54 -0.39 0.00 2.98 0.15 -1.26 -3.95 113.70 111.77 2jke s SER 595 Ca 0.68 0.69 0.32 0.00 0.70 0.00 0.00 55.95 58.34 2jke s SER 595 Cb -0.58 0.67 1.80 0.00 -1.71 0.00 0.00 66.02 66.21 2jke s SER 595 CO 0.46 -0.18 2.18 -0.81 1.20 0.00 0.00 173.24 176.10 2jke n PRO 596 N 1.82 0.84 -3.93 5.44 -0.04 -1.26 -4.58 135.00 133.29 2jke n PRO 596 Ca -0.12 -0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.04 2jke n PRO 596 Cb 0.56 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.37 2jke n PRO 596 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2jke s LEU 597 N -2.16 2.72 -0.15 1.53 2.96 -1.26 -0.67 118.68 121.65 2jke s LEU 597 Ca 0.43 -1.28 -0.00 0.00 -0.22 0.00 0.00 54.13 53.05 2jke s LEU 597 Cb 0.22 -1.20 0.03 0.00 0.50 0.00 0.00 46.19 45.74 2jke s LEU 597 CO 0.40 -0.26 -0.07 -1.10 -1.32 0.00 0.00 176.35 174.00 2jke s GLN 598 N 1.37 1.52 0.21 1.98 -1.52 -0.45 -4.71 119.66 118.06 2jke s GLN 598 Ca -0.04 -0.43 -0.16 0.00 -1.95 0.00 0.00 55.36 52.78 2jke s GLN 598 Cb -0.19 -1.87 -0.08 0.00 -0.22 0.00 0.00 33.01 30.66 2jke s GLN 598 CO -0.07 -0.36 0.65 1.41 -0.25 0.00 0.00 175.29 176.67 2jke s MET 599 N 1.65 4.09 -0.47 2.91 1.75 -1.26 -1.00 119.30 126.97 2jke s MET 599 Ca 0.02 0.67 -0.12 0.00 -1.25 0.00 0.00 55.69 55.02 2jke s MET 599 Cb -0.14 -2.81 0.10 0.00 2.84 0.00 0.00 34.83 34.81 2jke s MET 599 CO -0.08 0.38 0.36 0.00 -0.65 0.00 0.00 175.02 175.03 2jke s ALA 600 N -1.59 3.44 -0.63 4.11 0.00 -0.09 -3.85 121.76 123.14 2jke s ALA 600 Ca 0.43 -2.33 0.25 0.00 0.00 0.00 0.00 51.96 50.31 2jke s ALA 600 Cb -0.15 -2.90 0.55 0.00 0.00 0.00 0.00 23.12 20.62 2jke s ALA 600 CO 0.20 -1.81 1.56 0.00 0.00 0.00 0.00 175.76 175.72 2jke h ALA 601 N 8.58 0.84 -2.31 0.00 0.00 -1.48 -3.40 119.26 121.49 2jke h ALA 601 Ca -0.25 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.21 2jke h ALA 601 Cb 1.09 0.00 0.14 0.00 0.00 0.00 0.00 17.79 19.02 2jke h ALA 601 CO 0.86 0.00 0.37 0.34 0.00 0.00 0.00 179.25 180.82 2jke s ASP 602 N -4.73 3.42 0.39 0.00 -1.08 -1.24 -4.44 116.67 108.99 2jke s ASP 602 Ca 0.08 0.60 -0.12 0.00 -0.52 0.00 0.00 52.55 52.59 2jke s ASP 602 Cb 0.11 -0.91 -0.07 0.00 -1.46 0.00 0.00 42.92 40.59 2jke s ASP 602 CO 0.66 -2.57 0.78 0.27 0.52 0.00 0.00 175.17 174.82 2jke s ILE 603 N -3.59 4.73 0.27 4.11 -4.36 -1.26 -4.84 121.20 116.27 2jke s ILE 603 Ca 0.68 0.76 0.00 0.00 -0.26 0.00 0.00 60.65 61.83 2jke s ILE 603 Cb -0.09 -3.69 0.26 0.00 1.25 0.00 0.00 42.46 40.19 2jke s ILE 603 CO 0.52 -0.43 1.82 -0.65 0.24 0.00 0.00 174.94 176.44 2jke h PRO 604 N 1.53 0.88 -0.17 0.37 0.11 -1.96 -0.75 132.00 132.02 2jke h PRO 604 Ca -0.47 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.59 2jke h PRO 604 Cb 1.18 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 2jke h PRO 604 CO 0.64 0.58 0.11 1.49 -0.21 0.00 0.00 178.00 180.61 2jke h GLU 605 N 0.91 0.19 -0.06 1.05 4.81 -1.99 -0.01 114.58 119.48 2jke h GLU 605 Ca 0.48 -0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 59.46 2jke h GLU 605 Cb 0.50 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.84 2jke h GLU 605 CO -0.28 0.13 -0.89 -0.91 -0.73 0.00 0.00 179.01 176.33 2jke h ASN 606 N 0.20 0.76 -0.60 1.04 2.35 -1.53 -3.04 115.58 114.76 2jke h ASN 606 Ca 0.06 -0.56 -0.06 0.00 -0.55 0.00 0.00 56.30 55.20 2jke h ASN 606 Cb 0.01 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 2jke h ASN 606 CO -0.01 1.35 0.16 1.88 -1.65 0.00 0.00 177.43 179.15 2jke h TYR 607 N 0.38 1.03 0.00 1.19 0.05 -0.86 -2.50 116.97 116.25 2jke h TYR 607 Ca -0.08 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.59 2jke h TYR 607 Cb 1.52 -0.30 -0.00 0.00 1.01 0.00 0.00 36.73 38.97 2jke h TYR 607 CO 0.08 0.84 -0.02 0.93 -1.05 0.00 0.00 178.16 178.94 2jke h GLU 608 N 0.95 0.00 0.00 4.88 5.08 -1.03 -0.98 114.58 123.48 2jke h GLU 608 Ca 0.20 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2jke h GLU 608 Cb 0.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2jke h GLU 608 CO -0.00 0.02 -0.01 -0.09 -1.00 0.00 0.00 179.01 177.92 2jke h ARG 609 N 0.00 0.00 -1.22 2.33 2.43 -1.33 -3.34 114.38 113.25 2jke h ARG 609 Ca -0.00 0.00 -0.44 0.00 -0.81 0.00 0.00 59.98 58.73 2jke h ARG 609 Cb 0.05 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.20 2jke h ARG 609 CO 0.00 0.01 -1.05 1.19 -1.51 0.00 0.00 179.97 178.62 2jke n PHE 610 N -3.10 1.85 0.22 2.20 3.72 -0.41 -4.92 117.46 117.02 2jke n PHE 610 Ca 0.03 -2.95 0.07 0.00 -0.05 0.00 0.00 57.45 54.55 2jke n PHE 610 Cb 0.47 -0.29 0.53 0.00 -0.94 0.00 0.00 39.48 39.24 2jke n PHE 610 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 2jke h MET 611 N 2.87 0.00 -0.54 -1.08 4.05 -1.59 -1.57 114.93 117.08 2jke h MET 611 Ca 0.03 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.39 2jke h MET 611 Cb 1.08 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.86 2jke h MET 611 CO 0.61 0.23 0.08 0.38 0.23 0.00 0.00 176.91 178.44 2jke h ASP 612 N 0.00 0.86 -0.01 1.39 2.03 -1.91 -2.75 116.42 116.03 2jke h ASP 612 Ca -0.00 -0.27 -0.16 0.00 -0.73 0.00 0.00 57.03 55.87 2jke h ASP 612 Cb 0.46 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 38.72 2jke h ASP 612 CO 0.03 0.91 -0.53 0.00 -1.03 0.00 0.00 179.24 178.62 2jke h ALA 613 N 0.98 0.70 -0.16 4.15 0.00 -1.80 -2.93 119.26 120.21 2jke h ALA 613 Ca 0.16 -0.50 0.05 0.00 0.00 0.00 0.00 54.91 54.62 2jke h ALA 613 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2jke h ALA 613 CO 0.01 0.68 0.21 0.35 0.00 0.00 0.00 179.25 180.50 2jke h PHE 614 N 0.45 0.00 -0.79 0.00 3.57 -1.14 -1.94 116.94 117.09 2jke h PHE 614 Ca 0.01 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.67 2jke h PHE 614 Cb 1.07 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.76 2jke h PHE 614 CO 0.05 0.00 0.52 0.37 -2.23 0.00 0.00 178.31 177.02 2jke h GLN 615 N 0.00 0.44 -0.60 1.11 5.75 -1.29 -1.23 115.11 119.30 2jke h GLN 615 Ca 0.08 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.49 2jke h GLN 615 Cb 0.49 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 2jke h GLN 615 CO -0.00 0.29 0.15 0.35 -2.65 0.00 0.00 178.83 176.97 2jke h PHE 616 N 0.46 1.00 -0.73 3.99 3.57 -1.56 -0.13 116.94 123.53 2jke h PHE 616 Ca 0.39 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 2jke h PHE 616 Cb 0.85 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 2jke h PHE 616 CO -0.00 0.84 0.40 0.82 -2.23 0.00 0.00 178.31 178.15 2jke h ILE 617 N 0.86 1.22 -0.86 1.41 2.04 -1.42 0.41 117.51 121.18 2jke h ILE 617 Ca 0.19 -0.55 0.02 0.00 1.00 0.00 0.00 64.86 65.51 2jke h ILE 617 Cb 0.35 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 2jke h ILE 617 CO 0.00 0.25 0.56 0.11 0.00 0.00 0.00 178.15 179.07 2jke h LYS 618 N 1.01 1.10 0.08 2.37 1.57 -0.88 -3.25 116.57 118.56 2jke h LYS 618 Ca 0.26 -0.07 -0.26 0.00 -1.87 0.00 0.00 60.65 58.72 2jke h LYS 618 Cb 0.03 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 2jke h LYS 618 CO -0.04 0.73 -1.21 -0.44 -0.57 0.00 0.00 179.45 177.92 2jke h ASP 619 N 1.13 0.26 -3.92 0.86 3.32 -0.40 -3.47 116.42 114.20 2jke h ASP 619 Ca 0.32 -0.29 -0.53 0.00 0.02 0.00 0.00 57.03 56.56 2jke h ASP 619 Cb -0.09 -0.08 0.08 0.00 0.22 0.00 0.00 39.33 39.46 2jke h ASP 619 CO -0.08 1.23 0.67 0.54 -1.72 0.00 0.00 179.24 179.87 2jke s VAL 620 N -2.67 2.50 0.87 -1.35 0.11 0.08 -4.99 120.40 114.94 2jke s VAL 620 Ca -0.03 0.49 -0.13 0.00 -2.93 0.00 0.00 61.98 59.37 2jke s VAL 620 Cb 0.08 -3.30 0.12 0.00 -1.53 0.00 0.00 36.38 31.75 2jke s VAL 620 CO 0.86 0.10 1.22 0.00 -3.33 0.00 0.00 175.10 173.95 2jke s ALA 621 N -1.17 2.47 -0.16 1.54 0.00 -1.26 -5.02 121.76 118.16 2jke s ALA 621 Ca 0.52 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.68 2jke s ALA 621 Cb -0.41 -2.90 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 2jke s ALA 621 CO 0.55 -1.97 0.18 1.28 0.00 0.00 0.00 175.76 175.80 2jke n LEU 622 N -3.49 0.28 -3.73 0.00 4.77 -1.26 -5.00 117.00 108.56 2jke n LEU 622 Ca 0.10 -0.57 -0.14 0.00 -0.03 0.00 0.00 56.01 55.38 2jke n LEU 622 Cb 0.60 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.60 2jke n LEU 622 CO 0.53 0.07 0.08 -0.62 -1.33 0.00 0.00 177.39 176.12 2jke s ASP 623 N -1.12 -0.33 -0.01 -1.43 2.15 -1.26 -4.23 116.67 110.44 2jke s ASP 623 Ca 0.01 0.48 0.02 0.00 0.43 0.00 0.00 52.55 53.49 2jke s ASP 623 Cb 0.02 0.57 0.00 0.00 -0.30 0.00 0.00 42.92 43.21 2jke s ASP 623 CO 0.10 -0.31 -0.05 0.26 -0.17 0.00 0.00 175.17 174.99 2jke s TRP 624 N -0.58 0.54 -0.11 -5.34 0.52 -1.10 -1.09 118.94 111.78 2jke s TRP 624 Ca -0.07 -0.11 0.15 0.00 0.02 0.00 0.00 56.10 56.10 2jke s TRP 624 Cb -0.04 -0.38 -0.10 0.00 -1.15 0.00 0.00 33.47 31.80 2jke s TRP 624 CO 0.03 -0.04 1.00 -0.44 0.02 0.00 0.00 176.95 177.52 2jke h ASP 625 N 6.19 0.00 -5.02 2.95 3.32 -0.96 -3.17 116.42 119.74 2jke h ASP 625 Ca -0.30 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.64 2jke h ASP 625 Cb 1.18 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.55 2jke h ASP 625 CO 0.50 0.62 -0.26 -1.61 -1.72 0.00 0.00 179.24 176.77 2jke s GLU 626 N -2.89 0.73 -0.04 3.56 2.02 -1.23 -1.46 118.70 119.39 2jke s GLU 626 Ca -0.01 -0.32 0.01 0.00 0.02 0.00 0.00 54.97 54.67 2jke s GLU 626 Cb 0.08 0.32 0.02 0.00 0.10 0.00 0.00 34.13 34.66 2jke s GLU 626 CO 0.80 -0.22 -0.04 0.99 0.02 0.00 0.00 175.26 176.81 2jke s THR 627 N -1.84 0.44 -0.21 3.63 2.01 -1.15 -0.97 115.64 117.55 2jke s THR 627 Ca -0.10 -0.09 -0.02 0.00 0.31 0.00 0.00 61.69 61.80 2jke s THR 627 Cb -0.03 -0.47 0.01 0.00 0.01 0.00 0.00 72.50 72.02 2jke s THR 627 CO 0.01 0.19 -0.11 0.21 -0.69 0.00 0.00 174.62 174.24 2jke s ASN 628 N 0.80 3.86 -0.56 3.53 3.84 0.78 -5.01 114.94 122.18 2jke s ASN 628 Ca -0.10 -0.59 -0.23 0.00 0.21 0.00 0.00 52.86 52.15 2jke s ASN 628 Cb -0.13 -1.62 0.05 0.00 -0.55 0.00 0.00 41.25 38.99 2jke s ASN 628 CO -0.00 -0.03 0.90 -0.31 -2.79 0.00 0.00 177.10 174.86 2jke s TYR 629 N 1.38 2.82 -0.06 0.43 2.02 -1.26 -0.98 117.35 121.69 2jke s TYR 629 Ca 0.04 -0.14 -0.24 0.00 -0.37 0.00 0.00 57.07 56.36 2jke s TYR 629 Cb -0.14 -4.02 -0.26 0.00 -0.40 0.00 0.00 41.96 37.14 2jke s TYR 629 CO -0.07 -1.34 0.96 -0.07 -1.57 0.00 0.00 175.55 173.46 2jke h LEU 630 N 10.83 0.25 -7.73 -1.29 3.38 -1.25 -3.47 115.31 116.03 2jke h LEU 630 Ca -0.27 -0.85 -0.19 0.00 0.09 0.00 0.00 57.88 56.66 2jke h LEU 630 Cb 1.08 -0.08 -0.25 0.00 0.09 0.00 0.00 40.66 41.50 2jke h LEU 630 CO 1.08 1.08 -0.61 -1.61 0.09 0.00 0.00 178.44 178.47 2jke s GLU 631 N -2.81 0.21 -0.29 1.13 2.02 -0.92 -4.98 118.70 113.05 2jke s GLU 631 Ca -0.16 -0.13 -0.13 0.00 0.02 0.00 0.00 54.97 54.57 2jke s GLU 631 Cb 0.00 0.09 0.12 0.00 0.10 0.00 0.00 34.13 34.44 2jke s GLU 631 CO 0.76 -0.04 0.72 0.00 0.02 0.00 0.00 175.26 176.72 2jke s ALA 632 N -0.53 -2.08 -0.14 5.21 0.00 -1.26 -0.11 121.76 122.85 2jke s ALA 632 Ca -0.06 2.33 -0.04 0.00 0.00 0.00 0.00 51.96 54.20 2jke s ALA 632 Cb -0.04 -1.69 0.06 0.00 0.00 0.00 0.00 23.12 21.45 2jke s ALA 632 CO 0.00 -0.72 0.15 -2.00 0.00 0.00 0.00 175.76 173.19 2jke s GLU 633 N 2.36 0.07 0.32 0.00 2.56 0.07 -4.43 118.70 119.66 2jke s GLU 633 Ca -0.07 0.26 -0.29 0.00 0.00 0.00 0.00 54.97 54.87 2jke s GLU 633 Cb -0.09 -1.00 -0.12 0.00 2.00 0.00 0.00 34.13 34.93 2jke s GLU 633 CO -0.19 -0.51 1.51 -0.35 -0.56 0.00 0.00 175.26 175.16 2jke n PRO 634 N 5.31 2.58 -0.02 4.30 -0.04 -1.26 -1.28 135.00 144.59 2jke n PRO 634 Ca -0.05 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 2jke n PRO 634 Cb 0.50 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 2jke n PRO 634 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jke n GLY 635 N 1.39 2.65 1.10 0.55 0.00 -0.94 -4.80 105.19 105.15 2jke n GLY 635 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2jke n GLY 635 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jke n GLU 636 N -2.00 0.00 -3.53 1.61 1.02 -0.40 -4.60 120.64 112.74 2jke n GLU 636 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 2jke n GLU 636 Cb 0.00 -0.46 -0.05 0.00 -0.02 0.00 0.00 31.44 30.91 2jke n GLU 636 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 2jke s TYR 637 N -2.00 -0.54 -0.04 -0.32 -0.85 -0.75 -0.99 117.35 111.85 2jke s TYR 637 Ca 0.00 0.87 -0.01 0.00 -0.52 0.00 0.00 57.07 57.41 2jke s TYR 637 Cb 0.00 0.44 0.03 0.00 0.38 0.00 0.00 41.96 42.81 2jke s TYR 637 CO 0.00 -0.54 0.09 0.42 -1.52 0.00 0.00 175.55 174.00 2jke s ILE 638 N -1.42 -0.05 -0.08 -3.49 1.01 -0.60 -0.75 121.20 115.81 2jke s ILE 638 Ca -0.06 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.79 2jke s ILE 638 Cb -0.00 -0.16 0.02 0.00 0.01 0.00 0.00 42.46 42.33 2jke s ILE 638 CO 0.05 0.08 -0.07 0.42 0.00 0.00 0.00 174.94 175.42 2jke s THR 639 N 1.11 0.86 -0.00 2.92 -4.23 0.84 -1.30 115.64 115.84 2jke s THR 639 Ca -0.09 -0.25 0.01 0.00 -1.18 0.00 0.00 61.69 60.19 2jke s THR 639 Cb -0.12 -0.88 -0.00 0.00 1.34 0.00 0.00 72.50 72.84 2jke s THR 639 CO -0.04 0.32 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.69 2jke s ILE 640 N 1.32 0.32 -0.08 2.99 1.01 -0.25 -0.66 121.20 125.85 2jke s ILE 640 Ca -0.03 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.48 2jke s ILE 640 Cb -0.14 -0.27 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 2jke s ILE 640 CO -0.03 0.09 -0.18 0.00 0.00 0.00 0.00 174.94 174.82 2jke s ALA 641 N -0.08 2.47 0.03 9.38 0.00 -0.15 -1.11 121.76 132.29 2jke s ALA 641 Ca 0.01 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.03 2jke s ALA 641 Cb -0.02 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 2jke s ALA 641 CO -0.00 0.40 -0.10 1.03 0.00 0.00 0.00 175.76 177.09 2jke s ARG 642 N -0.17 0.70 -0.33 0.00 0.52 0.57 -0.15 118.95 120.09 2jke s ARG 642 Ca -0.02 -0.63 -0.14 0.00 -0.52 0.00 0.00 55.73 54.42 2jke s ARG 642 Cb -0.14 -0.63 -0.02 0.00 0.52 0.00 0.00 34.95 34.69 2jke s ARG 642 CO 0.03 0.15 0.33 0.21 0.02 0.00 0.00 175.30 176.04 2jke s LYS 643 N -1.03 3.60 0.26 3.54 2.20 -0.14 -0.45 119.74 127.71 2jke s LYS 643 Ca -0.02 -0.43 -0.31 0.00 -0.36 0.00 0.00 55.97 54.86 2jke s LYS 643 Cb -0.07 -3.79 -0.12 0.00 -1.51 0.00 0.00 37.83 32.35 2jke s LYS 643 CO 0.01 -0.47 1.65 0.00 -0.36 0.00 0.00 175.35 176.18 2jke s ALA 644 N 1.94 3.83 0.23 3.13 0.00 -0.18 -0.41 121.76 130.30 2jke s ALA 644 Ca 0.10 1.58 -0.31 0.00 0.00 0.00 0.00 51.96 53.33 2jke s ALA 644 Cb -0.17 -3.67 -0.13 0.00 0.00 0.00 0.00 23.12 19.15 2jke s ALA 644 CO 0.11 -0.96 1.43 1.17 0.00 0.00 0.00 175.76 177.51 2jke n LYS 645 N 2.95 2.05 -1.55 0.00 4.81 -0.25 -1.59 118.16 124.57 2jke n LYS 645 Ca 0.11 0.73 -0.16 0.00 -0.87 0.00 0.00 58.31 58.13 2jke n LYS 645 Cb 0.36 -2.40 -0.06 0.00 0.02 0.00 0.00 35.03 32.95 2jke n LYS 645 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2jke n ASP 646 N 2.27 -4.87 -4.06 3.14 8.00 -1.26 -4.92 116.55 114.83 2jke n ASP 646 Ca 0.12 0.34 -0.22 0.00 0.71 0.00 0.00 54.79 55.75 2jke n ASP 646 Cb 0.31 -3.79 -0.09 0.00 -0.02 0.00 0.00 41.12 37.54 2jke n ASP 646 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2jke s THR 647 N -2.61 0.52 -0.20 -3.53 -4.23 -0.62 -5.03 115.64 99.94 2jke s THR 647 Ca 0.00 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.67 2jke s THR 647 Cb 0.00 -2.48 0.60 0.00 1.34 0.00 0.00 72.50 71.95 2jke s THR 647 CO 0.00 0.00 1.50 0.47 -0.54 0.00 0.00 174.62 176.05 2jke n ASP 648 N -1.07 4.28 -4.86 3.99 8.00 -1.26 -4.73 116.55 120.89 2jke n ASP 648 Ca -0.02 -3.02 -0.33 0.00 0.71 0.00 0.00 54.79 52.13 2jke n ASP 648 Cb 0.65 -0.58 -0.06 0.00 -0.02 0.00 0.00 41.12 41.11 2jke n ASP 648 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2jke s ASP 649 N -1.70 6.15 0.10 -2.24 1.01 -1.26 -4.20 116.67 114.53 2jke s ASP 649 Ca 0.45 0.29 0.10 0.00 0.71 0.00 0.00 52.55 54.10 2jke s ASP 649 Cb 0.36 -1.89 -0.03 0.00 1.01 0.00 0.00 42.92 42.37 2jke s ASP 649 CO 0.10 0.28 -0.25 0.26 0.21 0.00 0.00 175.17 175.77 2jke s TRP 650 N -1.26 2.18 -0.01 4.23 0.52 0.22 -1.01 118.94 123.81 2jke s TRP 650 Ca 0.25 -0.39 0.05 0.00 0.02 0.00 0.00 56.10 56.03 2jke s TRP 650 Cb -0.12 -1.23 -0.01 0.00 -1.15 0.00 0.00 33.47 30.96 2jke s TRP 650 CO 0.16 0.24 -0.16 0.71 0.02 0.00 0.00 176.95 177.92 2jke s TYR 651 N -0.99 1.47 0.00 -1.98 2.02 0.40 -0.54 117.35 117.74 2jke s TYR 651 Ca 0.12 -0.28 0.05 0.00 -0.37 0.00 0.00 57.07 56.59 2jke s TYR 651 Cb -0.10 -0.94 -0.02 0.00 -0.40 0.00 0.00 41.96 40.50 2jke s TYR 651 CO 0.04 -0.02 -0.17 0.08 -1.57 0.00 0.00 175.55 173.92 2jke s VAL 652 N -0.42 1.33 0.03 0.71 1.01 -0.17 -0.31 120.40 122.57 2jke s VAL 652 Ca 0.06 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2jke s VAL 652 Cb -0.06 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2jke s VAL 652 CO -0.00 0.28 -0.04 -0.83 0.00 0.00 0.00 175.10 174.51 2jke s GLY 653 N -0.63 0.37 -0.04 4.51 0.00 -0.27 -0.90 107.32 110.35 2jke s GLY 653 Ca 0.06 -0.78 0.01 0.00 0.00 0.00 0.00 44.72 44.02 2jke s GLY 653 CO 0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 173.10 172.19 2jke s THR 655 N 0.72 1.82 0.18 0.00 -1.32 -0.42 -1.78 115.64 114.82 2jke s THR 655 Ca -0.11 -0.95 0.07 0.00 -1.21 0.00 0.00 61.69 59.49 2jke s THR 655 Cb -0.13 -1.53 -0.04 0.00 -1.51 0.00 0.00 72.50 69.28 2jke s THR 655 CO 0.01 0.51 -0.14 0.00 -2.21 0.00 0.00 174.62 172.79 2jke s ALA 656 N -0.28 1.83 0.71 11.08 0.00 -0.32 -1.56 121.76 133.22 2jke s ALA 656 Ca 0.02 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.43 2jke s ALA 656 Cb -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.93 2jke s ALA 656 CO 0.01 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.25 2jke n GLY 657 N -0.10 0.80 0.29 0.00 0.00 -0.16 -3.88 105.19 102.14 2jke n GLY 657 Ca -0.10 -1.65 0.16 0.00 0.00 0.00 0.00 46.02 44.42 2jke n GLY 657 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jke h GLU 658 N 0.00 0.00 -0.19 1.61 5.08 -1.85 -1.00 114.58 118.23 2jke h GLU 658 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jke h GLU 658 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2jke h GLU 658 CO 0.00 0.05 0.00 0.09 -1.00 0.00 0.00 179.01 178.15 2jke n ASN 659 N -3.54 3.07 -0.46 1.42 3.02 -1.26 -4.60 115.26 112.91 2jke n ASN 659 Ca -0.02 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 2jke n ASN 659 Cb 0.16 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 2jke n ASN 659 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jke n GLY 660 N 1.40 -1.32 3.64 7.41 0.00 -0.89 -4.75 105.19 110.68 2jke n GLY 660 Ca 0.17 -1.18 -0.08 0.00 0.00 0.00 0.00 46.02 44.93 2jke n GLY 660 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jke s HIS 661 N 0.00 -0.77 -0.24 1.61 2.46 -0.28 -4.56 115.29 113.52 2jke s HIS 661 Ca 0.00 1.67 -0.11 0.00 0.47 0.00 0.00 55.06 57.09 2jke s HIS 661 Cb 0.00 0.43 -0.05 0.00 -0.13 0.00 0.00 32.58 32.83 2jke s HIS 661 CO 0.00 -0.38 0.19 0.99 -2.47 0.00 0.00 174.74 173.07 2jke s THR 662 N 0.99 5.34 -0.06 0.89 2.01 -1.26 0.05 115.64 123.60 2jke s THR 662 Ca -0.05 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.20 2jke s THR 662 Cb -0.05 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 2jke s THR 662 CO -0.11 0.33 -0.08 -0.55 -0.69 0.00 0.00 174.62 173.52 2jke s SER 663 N 1.07 4.53 -0.65 3.53 0.15 0.54 -4.99 113.70 117.87 2jke s SER 663 Ca 0.09 -0.05 0.01 0.00 0.70 0.00 0.00 55.95 56.70 2jke s SER 663 Cb -0.14 -1.11 0.16 0.00 -1.71 0.00 0.00 66.02 63.23 2jke s SER 663 CO 0.05 0.36 0.45 -0.54 1.20 0.00 0.00 173.24 174.76 2jke s LYS 664 N -0.79 2.47 0.16 5.44 1.02 -1.26 -1.57 119.74 125.21 2jke s LYS 664 Ca 0.12 -2.87 -0.30 0.00 0.02 0.00 0.00 55.97 52.94 2jke s LYS 664 Cb -0.11 -3.57 -0.07 0.00 -0.52 0.00 0.00 37.83 33.56 2jke s LYS 664 CO 0.01 -1.19 0.99 -1.17 -0.92 0.00 0.00 175.35 173.07 2jke s LEU 665 N -0.66 4.54 -0.16 3.17 2.96 0.08 -4.91 118.68 123.69 2jke s LEU 665 Ca 0.20 1.90 0.01 0.00 -0.22 0.00 0.00 54.13 56.03 2jke s LEU 665 Cb -0.17 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 42.95 2jke s LEU 665 CO -0.07 -0.04 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.07 2jke s VAL 666 N -0.39 1.76 -0.51 1.68 1.01 -1.26 -1.45 120.40 121.25 2jke s VAL 666 Ca 0.46 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 2jke s VAL 666 Cb -0.25 -1.62 0.32 0.00 0.00 0.00 0.00 36.38 34.82 2jke s VAL 666 CO 0.32 0.49 2.07 0.49 0.00 0.00 0.00 175.10 178.47 2jke n PHE 667 N 4.69 2.36 1.21 5.22 3.72 -0.95 -4.54 117.46 129.16 2jke n PHE 667 Ca -0.19 -2.46 0.12 0.00 -0.05 0.00 0.00 57.45 54.88 2jke n PHE 667 Cb 0.50 -1.21 0.62 0.00 -0.94 0.00 0.00 39.48 38.45 2jke n PHE 667 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2jke n ASP 668 N -0.22 0.00 0.04 4.37 5.68 -1.24 -2.33 116.55 122.85 2jke n ASP 668 Ca 0.47 -0.23 0.13 0.00 -0.50 0.00 0.00 54.79 54.66 2jke n ASP 668 Cb 0.60 -0.21 0.52 0.00 -1.14 0.00 0.00 41.12 40.89 2jke n ASP 668 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 2jke n PHE 669 N -1.21 0.40 -1.36 2.11 1.16 -1.26 -4.83 117.46 112.47 2jke n PHE 669 Ca 0.13 0.12 -0.29 0.00 -1.87 0.00 0.00 57.45 55.53 2jke n PHE 669 Cb 0.16 -0.69 0.13 0.00 -1.61 0.00 0.00 39.48 37.47 2jke n PHE 669 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2jke s LEU 670 N -3.65 2.13 -0.04 5.98 1.43 -0.98 -4.99 118.68 118.55 2jke s LEU 670 Ca 0.12 1.25 -0.26 0.00 -1.03 0.00 0.00 54.13 54.21 2jke s LEU 670 Cb 0.16 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 2jke s LEU 670 CO 0.55 -2.57 0.83 -0.89 0.23 0.00 0.00 176.35 174.50 2jke s THR 671 N -3.07 4.96 0.29 5.49 2.01 -1.26 -4.71 115.64 119.34 2jke s THR 671 Ca 0.63 1.73 -0.30 0.00 0.31 0.00 0.00 61.69 64.06 2jke s THR 671 Cb -0.16 -4.17 -0.12 0.00 0.01 0.00 0.00 72.50 68.05 2jke s THR 671 CO 0.56 0.20 1.45 -2.65 -0.69 0.00 0.00 174.62 173.49 2jke n PRO 672 N 3.92 2.33 -0.70 4.92 -0.02 -1.26 -2.24 135.00 141.95 2jke n PRO 672 Ca 0.02 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2jke n PRO 672 Cb 0.51 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2jke n PRO 672 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jke n GLY 673 N 1.76 1.12 3.92 -1.23 0.00 -1.26 -5.03 105.19 104.47 2jke n GLY 673 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2jke n GLY 673 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jke s LYS 674 N -0.19 3.45 0.04 1.61 -0.14 -0.95 -5.11 119.74 118.45 2jke s LYS 674 Ca 0.00 -0.43 0.02 0.00 -1.36 0.00 0.00 55.97 54.20 2jke s LYS 674 Cb 0.00 -3.02 -0.04 0.00 -1.68 0.00 0.00 37.83 33.09 2jke s LYS 674 CO 0.00 0.59 0.07 -0.65 -0.76 0.00 0.00 175.35 174.60 2jke s GLN 675 N -2.61 2.92 0.00 1.68 -1.52 -1.26 -4.57 119.66 114.30 2jke s GLN 675 Ca 0.35 -0.61 0.03 0.00 -1.95 0.00 0.00 55.36 53.18 2jke s GLN 675 Cb -0.13 -2.76 -0.01 0.00 -0.22 0.00 0.00 33.01 29.89 2jke s GLN 675 CO 0.28 0.60 -0.09 0.71 -0.25 0.00 0.00 175.29 176.54 2jke s TYR 676 N -1.28 0.83 -0.41 0.91 2.02 -0.39 -1.50 117.35 117.54 2jke s TYR 676 Ca 0.26 -0.21 -0.24 0.00 -0.37 0.00 0.00 57.07 56.50 2jke s TYR 676 Cb -0.12 -0.53 0.02 0.00 -0.40 0.00 0.00 41.96 40.93 2jke s TYR 676 CO 0.18 -0.01 0.86 0.42 -1.57 0.00 0.00 175.55 175.43 2jke s ILE 677 N -0.40 4.60 -0.10 2.71 -1.09 0.96 -1.03 121.20 126.85 2jke s ILE 677 Ca 0.02 0.83 -0.01 0.00 -2.23 0.00 0.00 60.65 59.26 2jke s ILE 677 Cb -0.05 -4.33 -0.03 0.00 -1.58 0.00 0.00 42.46 36.47 2jke s ILE 677 CO -0.00 -0.64 -0.05 0.00 -1.23 0.00 0.00 174.94 173.02 2jke s ALA 678 N 3.44 3.01 -0.13 9.38 0.00 -0.07 -1.36 121.76 136.02 2jke s ALA 678 Ca 0.34 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.47 2jke s ALA 678 Cb -0.12 -1.37 0.01 0.00 0.00 0.00 0.00 23.12 21.64 2jke s ALA 678 CO 0.21 0.43 -0.18 0.99 0.00 0.00 0.00 175.76 177.22 2jke s THR 679 N -0.36 1.78 -0.28 0.00 2.01 0.08 -1.36 115.64 117.52 2jke s THR 679 Ca 0.05 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.16 2jke s THR 679 Cb -0.12 -1.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 2jke s THR 679 CO 0.02 0.50 0.12 -0.69 -0.69 0.00 0.00 174.62 173.88 2jke s VAL 680 N 0.99 4.60 -0.36 3.82 1.01 0.38 -1.59 120.40 129.25 2jke s VAL 680 Ca -0.05 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 2jke s VAL 680 Cb -0.15 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 33.01 2jke s VAL 680 CO -0.04 0.21 0.20 -0.31 0.00 0.00 0.00 175.10 175.17 2jke s TYR 681 N 1.64 3.23 0.16 5.22 2.02 0.92 -1.54 117.35 129.00 2jke s TYR 681 Ca 0.06 -0.80 0.03 0.00 -0.37 0.00 0.00 57.07 55.99 2jke s TYR 681 Cb -0.16 -2.43 -0.05 0.00 -0.40 0.00 0.00 41.96 38.92 2jke s TYR 681 CO 0.06 -0.58 -0.05 0.00 -1.57 0.00 0.00 175.55 173.40 2jke s ALA 682 N 1.59 1.45 0.39 3.71 0.00 -0.40 -0.66 121.76 127.84 2jke s ALA 682 Ca 0.03 -1.55 -0.27 0.00 0.00 0.00 0.00 51.96 50.17 2jke s ALA 682 Cb -0.19 0.26 -0.09 0.00 0.00 0.00 0.00 23.12 23.11 2jke s ALA 682 CO 0.07 -0.19 1.30 -0.51 0.00 0.00 0.00 175.76 176.42 2jke s ASP 683 N -3.18 6.44 0.88 0.00 1.01 -1.24 -0.54 116.67 120.04 2jke s ASP 683 Ca 0.20 2.65 -0.11 0.00 0.71 0.00 0.00 52.55 56.00 2jke s ASP 683 Cb 0.04 -2.64 0.12 0.00 1.01 0.00 0.00 42.92 41.46 2jke s ASP 683 CO 0.02 -0.76 1.09 0.00 0.21 0.00 0.00 175.17 175.74 2jke s ALA 684 N -1.24 1.58 0.30 5.23 0.00 -0.55 -4.63 121.76 122.44 2jke s ALA 684 Ca 0.55 0.11 0.29 0.00 0.00 0.00 0.00 51.96 52.90 2jke s ALA 684 Cb -0.38 -3.25 1.35 0.00 0.00 0.00 0.00 23.12 20.84 2jke s ALA 684 CO 0.49 -2.36 2.01 1.57 0.00 0.00 0.00 175.76 177.47 2jke h LYS 685 N -1.56 0.00 -0.68 0.00 -0.00 -1.95 -1.18 116.57 111.20 2jke h LYS 685 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.17 2jke h LYS 685 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.50 2jke h LYS 685 CO 0.52 0.12 0.00 -0.25 -0.00 0.00 0.00 179.45 179.84 2jke n ASP 686 N -3.43 3.85 -4.75 7.07 8.00 -1.26 -5.01 116.55 121.03 2jke n ASP 686 Ca -0.01 -2.00 -0.33 0.00 0.71 0.00 0.00 54.79 53.16 2jke n ASP 686 Cb 0.30 -0.45 0.07 0.00 -0.02 0.00 0.00 41.12 41.01 2jke n ASP 686 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jke s ALA 687 N -1.04 2.29 -0.28 2.24 0.00 -0.45 -4.75 121.76 119.78 2jke s ALA 687 Ca 0.46 0.59 -0.25 0.00 0.00 0.00 0.00 51.96 52.77 2jke s ALA 687 Cb 0.24 -3.36 0.11 0.00 0.00 0.00 0.00 23.12 20.11 2jke s ALA 687 CO 0.32 -1.58 0.93 0.34 0.00 0.00 0.00 175.76 175.76 2jke s ASP 688 N -2.56 -0.55 0.35 0.00 2.15 -0.19 -4.63 116.67 111.24 2jke s ASP 688 Ca 0.68 1.06 0.02 0.00 0.43 0.00 0.00 52.55 54.74 2jke s ASP 688 Cb -0.22 1.08 0.64 0.00 -0.30 0.00 0.00 42.92 44.12 2jke s ASP 688 CO 0.45 -0.18 2.01 4.11 -0.17 0.00 0.00 175.17 181.39 2jke h TRP 689 N 4.51 0.79 0.00 -5.34 5.08 -1.61 -1.23 115.95 118.16 2jke h TRP 689 Ca -0.28 0.02 -0.19 0.00 1.08 0.00 0.00 58.89 59.51 2jke h TRP 689 Cb 1.17 -0.27 -0.03 0.00 -3.00 0.00 0.00 29.16 27.04 2jke h TRP 689 CO 0.33 0.50 -1.11 -0.22 -1.28 0.00 0.00 178.44 176.66 2jke h LYS 690 N 0.85 0.00 0.00 0.12 3.64 -1.88 -3.38 116.57 115.92 2jke h LYS 690 Ca 0.23 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 2jke h LYS 690 Cb -0.10 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2jke h LYS 690 CO -0.05 0.87 -1.09 0.39 -2.27 0.00 0.00 179.45 177.30 2jke n GLU 691 N -4.47 0.61 -2.76 1.90 -0.58 -1.23 -4.68 120.64 109.43 2jke n GLU 691 Ca -0.28 0.14 -0.07 0.00 -0.42 0.00 0.00 57.16 56.52 2jke n GLU 691 Cb 0.62 -1.82 0.04 0.00 -0.57 0.00 0.00 31.44 29.71 2jke n GLU 691 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2jke n ASN 692 N -2.71 -2.99 0.15 1.62 5.15 -0.66 -4.94 115.26 110.87 2jke n ASN 692 Ca -0.02 -3.21 0.08 0.00 -0.60 0.00 0.00 54.58 50.83 2jke n ASN 692 Cb 0.60 1.79 0.06 0.00 -0.53 0.00 0.00 39.78 41.70 2jke n ASN 692 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2jke h PRO 693 N 4.23 0.00 -0.55 1.20 0.13 -1.44 -0.47 132.00 135.09 2jke h PRO 693 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2jke h PRO 693 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2jke h PRO 693 CO 0.26 0.15 0.00 1.04 -0.23 0.00 0.00 178.00 179.23 2jke n GLN 694 N -3.00 2.30 -2.85 0.86 3.00 -1.26 -0.77 117.38 115.66 2jke n GLN 694 Ca 0.01 -2.02 -0.43 0.00 -0.01 0.00 0.00 57.00 54.55 2jke n GLN 694 Cb 0.62 -1.44 -0.04 0.00 0.00 0.00 0.00 30.24 29.38 2jke n GLN 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jke s ALA 695 N -1.27 3.20 0.10 -1.58 0.00 -1.25 -4.94 121.76 116.03 2jke s ALA 695 Ca 0.38 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2jke s ALA 695 Cb 0.20 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 2jke s ALA 695 CO 0.26 -2.22 -0.02 1.52 0.00 0.00 0.00 175.76 175.30 2jke s TYR 696 N 3.80 0.84 0.10 0.00 -0.85 -1.26 -1.48 117.35 118.50 2jke s TYR 696 Ca 0.32 -1.04 0.08 0.00 -0.52 0.00 0.00 57.07 55.91 2jke s TYR 696 Cb -0.12 -0.51 -0.03 0.00 0.38 0.00 0.00 41.96 41.68 2jke s TYR 696 CO 0.22 -0.30 -0.21 0.95 -1.52 0.00 0.00 175.55 174.70 2jke s THR 697 N -3.79 1.69 -0.10 -3.49 -4.23 0.30 -4.70 115.64 101.32 2jke s THR 697 Ca 0.15 -1.53 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 2jke s THR 697 Cb 0.07 -1.54 0.02 0.00 1.34 0.00 0.00 72.50 72.39 2jke s THR 697 CO -0.03 -0.06 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.26 2jke s ILE 698 N -1.16 1.13 -0.07 2.99 1.01 -1.26 -1.27 121.20 122.58 2jke s ILE 698 Ca 0.06 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.35 2jke s ILE 698 Cb -0.10 -1.09 0.01 0.00 0.01 0.00 0.00 42.46 41.29 2jke s ILE 698 CO 0.04 0.37 -0.16 -0.54 0.00 0.00 0.00 174.94 174.65 2jke s LYS 699 N 1.31 2.01 -0.09 2.79 1.02 -0.59 -4.96 119.74 121.23 2jke s LYS 699 Ca -0.02 -0.57 0.04 0.00 0.02 0.00 0.00 55.97 55.44 2jke s LYS 699 Cb -0.14 -1.64 -0.01 0.00 -0.52 0.00 0.00 37.83 35.53 2jke s LYS 699 CO -0.04 0.13 -0.23 0.21 -0.92 0.00 0.00 175.35 174.50 2jke s LYS 700 N 0.40 2.90 0.00 1.68 2.20 -1.26 -0.47 119.74 125.18 2jke s LYS 700 Ca -0.12 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 54.62 2jke s LYS 700 Cb -0.15 -2.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.89 2jke s LYS 700 CO 0.04 0.26 0.00 0.41 -0.36 0.00 0.00 175.35 175.71 2jke n GLY 701 N 3.29 2.20 3.52 5.54 0.00 -0.46 -5.01 105.19 114.27 2jke n GLY 701 Ca -0.18 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 2jke n GLY 701 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jke s ILE 702 N -2.75 3.40 0.10 -0.61 -1.09 -1.26 -0.90 121.20 118.09 2jke s ILE 702 Ca 0.00 -0.59 0.08 0.00 -2.23 0.00 0.00 60.65 57.91 2jke s ILE 702 Cb 0.00 -2.37 -0.03 0.00 -1.58 0.00 0.00 42.46 38.47 2jke s ILE 702 CO 0.00 0.59 -0.21 -0.76 -1.23 0.00 0.00 174.94 173.33 2jke s LEU 703 N -0.65 2.29 0.37 2.97 1.43 -0.20 -4.89 118.68 120.01 2jke s LEU 703 Ca 0.10 -0.67 0.05 0.00 -1.03 0.00 0.00 54.13 52.57 2jke s LEU 703 Cb -0.11 -0.87 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 2jke s LEU 703 CO 0.01 0.06 0.18 0.42 0.23 0.00 0.00 176.35 177.25 2jke s THR 704 N -1.14 0.36 -1.86 5.49 -4.23 -1.26 -1.26 115.64 111.74 2jke s THR 704 Ca 0.06 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.68 2jke s THR 704 Cb -0.10 -2.40 0.28 0.00 1.34 0.00 0.00 72.50 71.62 2jke s THR 704 CO 0.04 0.00 1.12 -0.46 -0.54 0.00 0.00 174.62 174.78 2jke n ASN 705 N -1.35 0.00 -0.55 3.99 6.94 -1.25 -1.54 115.26 121.49 2jke n ASN 705 Ca -0.01 -0.23 0.11 0.00 -0.02 0.00 0.00 54.58 54.44 2jke n ASN 705 Cb 0.64 -0.07 0.05 0.00 -2.36 0.00 0.00 39.78 38.04 2jke n ASN 705 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2jke n LYS 706 N -1.07 1.38 -2.06 -3.83 4.76 -1.26 -3.70 118.16 112.38 2jke n LYS 706 Ca 0.07 -1.12 -0.32 0.00 -2.87 0.00 0.00 58.31 54.08 2jke n LYS 706 Cb 0.05 -1.48 0.01 0.00 -1.84 0.00 0.00 35.03 31.77 2jke n LYS 706 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2jke s SER 707 N -2.39 5.92 -0.00 4.39 0.01 -0.59 -4.93 113.70 116.11 2jke s SER 707 Ca 0.21 1.73 -0.02 0.00 1.31 0.00 0.00 55.95 59.18 2jke s SER 707 Cb 0.19 -2.52 -0.00 0.00 0.21 0.00 0.00 66.02 63.89 2jke s SER 707 CO 0.52 -1.07 0.03 -0.54 0.41 0.00 0.00 173.24 172.59 2jke s LYS 708 N -4.21 0.22 -0.03 12.44 1.02 -1.26 -2.25 119.74 125.68 2jke s LYS 708 Ca 0.62 -0.26 0.01 0.00 0.02 0.00 0.00 55.97 56.36 2jke s LYS 708 Cb -0.14 0.09 0.01 0.00 -0.52 0.00 0.00 37.83 37.27 2jke s LYS 708 CO 0.38 -0.04 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.23 2jke s LEU 709 N -0.75 1.54 -0.24 3.17 1.43 -0.53 -4.99 118.68 118.31 2jke s LEU 709 Ca -0.08 -0.09 -0.13 0.00 -1.03 0.00 0.00 54.13 52.80 2jke s LEU 709 Cb -0.05 -0.32 -0.05 0.00 0.03 0.00 0.00 46.19 45.80 2jke s LEU 709 CO -0.00 -0.02 0.26 0.20 0.23 0.00 0.00 176.35 177.02 2jke s ASN 710 N 0.55 6.20 0.06 2.29 0.01 -1.26 -0.74 114.94 122.05 2jke s ASN 710 Ca -0.06 0.22 0.04 0.00 -0.71 0.00 0.00 52.86 52.35 2jke s ASN 710 Cb -0.10 -2.16 -0.03 0.00 0.41 0.00 0.00 41.25 39.38 2jke s ASN 710 CO -0.00 -0.03 -0.13 -0.76 -1.51 0.00 0.00 177.10 174.66 2jke s LEU 711 N 1.42 2.26 -0.13 0.60 1.43 -0.61 -5.00 118.68 118.65 2jke s LEU 711 Ca 0.12 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 2jke s LEU 711 Cb -0.15 -0.45 0.02 0.00 0.03 0.00 0.00 46.19 45.64 2jke s LEU 711 CO 0.07 -0.09 -0.17 -2.28 0.23 0.00 0.00 176.35 174.12 2jke s HIS 712 N -1.24 2.24 -0.09 0.29 5.65 -1.26 -0.34 115.29 120.55 2jke s HIS 712 Ca -0.03 -1.17 -0.26 0.00 0.25 0.00 0.00 55.06 53.85 2jke s HIS 712 Cb -0.10 -1.60 -0.03 0.00 -1.18 0.00 0.00 32.58 29.68 2jke s HIS 712 CO 0.02 -0.60 0.83 0.00 -0.65 0.00 0.00 174.74 174.33 2jke s ALA 713 N 1.16 3.36 1.17 1.58 0.00 0.11 -4.55 121.76 124.59 2jke s ALA 713 Ca -0.02 0.21 -0.18 0.00 0.00 0.00 0.00 51.96 51.97 2jke s ALA 713 Cb -0.14 -3.16 0.27 0.00 0.00 0.00 0.00 23.12 20.09 2jke s ALA 713 CO -0.06 -0.34 1.11 0.00 0.00 0.00 0.00 175.76 176.47 2jke s ALA 714 N 1.36 0.64 -0.13 0.00 0.00 -1.26 -1.12 121.76 121.25 2jke s ALA 714 Ca 0.42 -0.85 -0.33 0.00 0.00 0.00 0.00 51.96 51.20 2jke s ALA 714 Cb -0.18 -2.93 -0.10 0.00 0.00 0.00 0.00 23.12 19.91 2jke s ALA 714 CO 0.18 -3.48 2.01 -1.71 0.00 0.00 0.00 175.76 172.76 2jke n ASN 715 N -4.67 3.35 -1.18 0.00 5.15 -1.26 -0.57 115.26 116.08 2jke n ASN 715 Ca 0.12 0.74 -0.13 0.00 -0.60 0.00 0.00 54.58 54.71 2jke n ASN 715 Cb 0.59 -1.42 -0.04 0.00 -0.53 0.00 0.00 39.78 38.39 2jke n ASN 715 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jke n GLY 716 N 4.99 0.75 0.00 8.20 0.00 -0.43 -1.81 105.19 116.89 2jke n GLY 716 Ca 0.26 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2jke n GLY 716 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jke n GLY 717 N -1.24 4.16 0.00 -0.02 0.00 0.27 -1.60 105.19 106.76 2jke n GLY 717 Ca -0.14 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.78 2jke n GLY 717 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jke n GLY 718 N 5.00 -0.93 3.47 -0.02 0.00 -1.26 -1.18 105.19 110.27 2jke n GLY 718 Ca 0.00 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 2jke n GLY 718 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jke s TYR 719 N -3.00 -0.46 0.03 1.61 -0.85 -0.74 -3.60 117.35 110.34 2jke s TYR 719 Ca 0.00 0.21 0.02 0.00 -0.52 0.00 0.00 57.07 56.78 2jke s TYR 719 Cb 0.00 0.55 -0.02 0.00 0.38 0.00 0.00 41.96 42.87 2jke s TYR 719 CO 0.00 -0.89 -0.07 0.00 -1.52 0.00 0.00 175.55 173.07 2jke s ALA 720 N -3.78 0.52 -0.03 9.51 0.00 0.16 -1.16 121.76 126.98 2jke s ALA 720 Ca 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2jke s ALA 720 Cb -0.01 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.15 2jke s ALA 720 CO -0.10 -0.00 0.00 0.42 0.00 0.00 0.00 175.76 176.08 2jke s ILE 721 N -1.12 0.17 -0.13 0.00 1.01 -0.08 -0.06 121.20 120.99 2jke s ILE 721 Ca -0.08 0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.61 2jke s ILE 721 Cb -0.08 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 2jke s ILE 721 CO 0.00 0.15 0.13 -0.94 0.00 0.00 0.00 174.94 174.29 2jke s SER 722 N 1.14 6.33 -0.37 3.58 1.04 -0.62 -1.00 113.70 123.80 2jke s SER 722 Ca -0.08 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.78 2jke s SER 722 Cb -0.13 -2.06 0.13 0.00 0.10 0.00 0.00 66.02 64.06 2jke s SER 722 CO -0.02 0.38 0.20 -0.63 0.98 0.00 0.00 173.24 174.14 2jke s ILE 723 N -0.83 0.63 -0.16 -1.02 1.01 0.30 -0.74 121.20 120.38 2jke s ILE 723 Ca 0.14 -1.85 -0.05 0.00 0.00 0.00 0.00 60.65 58.88 2jke s ILE 723 Cb -0.12 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 2jke s ILE 723 CO 0.03 -0.89 0.01 -0.54 0.00 0.00 0.00 174.94 173.55 2jke s LYS 724 N 1.01 3.79 0.27 2.79 1.02 -0.46 -0.61 119.74 127.54 2jke s LYS 724 Ca 0.16 -0.42 -0.30 0.00 0.02 0.00 0.00 55.97 55.43 2jke s LYS 724 Cb -0.22 -3.06 -0.10 0.00 -0.52 0.00 0.00 37.83 33.93 2jke s LYS 724 CO -0.06 0.29 1.44 -2.00 -0.92 0.00 0.00 175.35 174.10 2jke s GLU 725 N 0.28 4.26 0.00 1.68 2.12 -1.26 -0.03 118.70 125.75 2jke s GLU 725 Ca 0.00 2.33 0.00 0.00 0.36 0.00 0.00 54.97 57.66 2jke s GLU 725 Cb -0.13 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.17 2jke s GLU 725 CO 0.01 -0.42 0.48 0.28 -0.54 0.00 0.00 175.26 175.07