#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djx n LEU 2 N -0.38 3.28 -4.77 0.00 4.77 -1.26 -4.44 117.00 114.21 2djx n LEU 2 Ca -0.15 -1.47 -0.40 0.00 -0.03 0.00 0.00 56.01 53.96 2djx n LEU 2 Cb 0.64 -0.21 0.01 0.00 -2.33 0.00 0.00 43.42 41.52 2djx n LEU 2 CO 0.13 0.70 1.08 -0.75 -1.33 0.00 0.00 177.39 177.22 2djx s LYS 3 N -1.43 3.87 0.02 3.23 2.20 -1.19 -3.95 119.74 122.48 2djx s LYS 3 Ca 0.35 2.43 -0.12 0.00 -0.36 0.00 0.00 55.97 58.27 2djx s LYS 3 Cb 0.21 -2.78 0.01 0.00 -1.51 0.00 0.00 37.83 33.76 2djx s LYS 3 CO 0.29 -0.67 0.26 -0.48 -0.36 0.00 0.00 175.35 174.38 2djx s LEU 4 N -2.46 1.08 -0.13 5.43 2.34 -0.74 -4.84 118.68 119.36 2djx s LEU 4 Ca 0.57 -0.15 0.02 0.00 0.06 0.00 0.00 54.13 54.63 2djx s LEU 4 Cb -0.44 1.14 0.01 0.00 -0.56 0.00 0.00 46.19 46.35 2djx s LEU 4 CO 0.58 -0.52 -0.20 0.20 -1.06 0.00 0.00 176.35 175.34 2djx s ASN 5 N -1.77 2.91 0.05 1.48 0.01 -1.26 -0.98 114.94 115.37 2djx s ASN 5 Ca -0.09 -0.55 -0.23 0.00 -0.71 0.00 0.00 52.86 51.28 2djx s ASN 5 Cb -0.03 -1.34 0.06 0.00 0.41 0.00 0.00 41.25 40.35 2djx s ASN 5 CO -0.01 0.06 0.54 -1.48 -1.51 0.00 0.00 177.10 174.71 2djx s LEU 6 N 0.84 -0.18 -1.27 0.60 0.05 -0.74 -4.94 118.68 113.05 2djx s LEU 6 Ca -0.08 0.22 -0.01 0.00 0.05 0.00 0.00 54.13 54.31 2djx s LEU 6 Cb -0.15 2.21 0.01 0.00 -2.05 0.00 0.00 46.19 46.20 2djx s LEU 6 CO -0.01 -0.73 0.08 0.18 -0.55 0.00 0.00 176.35 175.32 2djx n LEU 7 N 0.39 -1.46 -1.48 1.48 4.77 -1.26 -1.30 117.00 118.14 2djx n LEU 7 Ca -0.18 0.07 -0.15 0.00 -0.03 0.00 0.00 56.01 55.72 2djx n LEU 7 Cb 0.60 -2.38 -0.03 0.00 -2.33 0.00 0.00 43.42 39.29 2djx n LEU 7 CO 0.19 -0.10 -0.17 -0.67 -1.33 0.00 0.00 177.39 175.31 2djx n ASP 8 N -1.94 -4.55 -4.29 -1.43 2.03 -1.26 -5.02 116.55 100.09 2djx n ASP 8 Ca -0.16 0.11 -0.18 0.00 0.52 0.00 0.00 54.79 55.09 2djx n ASP 8 Cb 0.62 -3.58 -0.11 0.00 -0.72 0.00 0.00 41.12 37.34 2djx n ASP 8 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2djx s HIS 9 N -2.67 1.53 -0.13 -0.67 3.76 -0.42 -5.15 115.29 111.54 2djx s HIS 9 Ca 0.00 -0.59 -0.02 0.00 -0.15 0.00 0.00 55.06 54.30 2djx s HIS 9 Cb 0.00 -0.76 -0.03 0.00 1.11 0.00 0.00 32.58 32.90 2djx s HIS 9 CO 0.00 0.23 -0.04 0.08 -0.85 0.00 0.00 174.74 174.15 2djx s VAL 10 N -2.62 3.87 -0.07 -0.90 1.01 -1.26 -1.79 120.40 118.64 2djx s VAL 10 Ca 0.16 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.80 2djx s VAL 10 Cb -0.02 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.70 2djx s VAL 10 CO 0.04 0.53 -0.20 -0.36 0.00 0.00 0.00 175.10 175.11 2djx s PHE 11 N -0.02 2.08 0.37 5.22 0.08 -0.16 -4.65 117.98 120.91 2djx s PHE 11 Ca 0.01 -0.75 0.18 0.00 0.12 0.00 0.00 56.93 56.49 2djx s PHE 11 Cb -0.13 -1.41 0.98 0.00 -0.57 0.00 0.00 43.02 41.88 2djx s PHE 11 CO 0.03 -0.30 1.91 0.00 -0.10 0.00 0.00 175.22 176.76 2djx h ALA 12 N 6.57 1.36 -2.52 5.36 0.00 -1.85 -1.96 119.26 126.21 2djx h ALA 12 Ca -0.27 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.51 2djx h ALA 12 Cb 1.20 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 2djx h ALA 12 CO 0.47 0.33 0.41 0.54 0.00 0.00 0.00 179.25 181.00 2djx s ASN 13 N -6.65 -0.30 0.00 0.00 2.20 -1.25 -3.19 114.94 105.74 2djx s ASN 13 Ca -0.03 -0.26 0.31 0.00 -0.94 0.00 0.00 52.86 51.94 2djx s ASN 13 Cb 0.14 0.51 1.71 0.00 -2.00 0.00 0.00 41.25 41.61 2djx s ASN 13 CO 0.67 -0.90 2.12 -0.81 -2.94 0.00 0.00 177.10 175.24 2djx n PRO 14 N -0.39 1.00 -3.09 3.55 -0.04 -1.26 -4.15 135.00 130.62 2djx n PRO 14 Ca -0.08 -0.14 -0.38 0.00 -0.04 0.00 0.00 63.50 62.86 2djx n PRO 14 Cb 0.61 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.52 2djx n PRO 14 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2djx s PHE 15 N -2.10 3.82 0.20 0.54 0.08 -1.26 -0.57 117.98 118.69 2djx s PHE 15 Ca 0.43 1.48 -0.13 0.00 0.12 0.00 0.00 56.93 58.83 2djx s PHE 15 Cb 0.22 -2.66 0.01 0.00 -0.57 0.00 0.00 43.02 40.01 2djx s PHE 15 CO 0.38 0.50 0.43 0.00 -0.10 0.00 0.00 175.22 176.43 2djx s MET 16 N -1.32 1.35 0.65 0.44 0.23 -0.88 -0.47 119.30 119.29 2djx s MET 16 Ca 0.36 -1.07 -0.16 0.00 -1.03 0.00 0.00 55.69 53.78 2djx s MET 16 Cb -0.21 0.46 -0.01 0.00 -1.53 0.00 0.00 34.83 33.55 2djx s MET 16 CO 0.23 -0.55 1.14 0.54 -2.03 0.00 0.00 175.02 174.36 2djx s ASN 17 N -2.94 5.04 0.30 -1.18 4.22 -1.26 -1.55 114.94 117.57 2djx s ASN 17 Ca 0.15 2.14 -0.25 0.00 -2.14 0.00 0.00 52.86 52.76 2djx s ASN 17 Cb 0.01 -2.57 -0.10 0.00 1.28 0.00 0.00 41.25 39.87 2djx s ASN 17 CO 0.01 -1.68 0.91 0.00 -2.04 0.00 0.00 177.10 174.30 2djx s ALA 18 N -2.09 3.25 0.22 3.54 0.00 -0.44 -4.46 121.76 121.78 2djx s ALA 18 Ca 0.70 0.46 -0.32 0.00 0.00 0.00 0.00 51.96 52.81 2djx s ALA 18 Cb -0.24 -3.12 -0.14 0.00 0.00 0.00 0.00 23.12 19.62 2djx s ALA 18 CO 0.39 0.20 1.32 0.00 0.00 0.00 0.00 175.76 177.67 2djx n ALA 19 N 0.62 0.46 0.00 0.00 0.00 -1.26 -2.23 120.51 118.10 2djx n ALA 19 Ca 0.01 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2djx n ALA 19 Cb 0.50 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.76 2djx n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2djx n GLY 20 N 2.12 3.42 3.60 0.00 0.00 -1.26 -4.92 105.19 108.14 2djx n GLY 20 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 2djx n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2djx s VAL 21 N -3.00 5.23 -1.31 1.61 1.01 -0.95 -4.58 120.40 118.42 2djx s VAL 21 Ca 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 2djx s VAL 21 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2djx s VAL 21 CO 0.00 0.29 0.71 -0.11 0.00 0.00 0.00 175.10 175.99 2djx n LEU 22 N 4.81 -3.11 -0.78 3.92 7.94 -1.26 -4.72 117.00 123.81 2djx n LEU 22 Ca -0.14 -0.82 -0.03 0.00 -1.11 0.00 0.00 56.01 53.91 2djx n LEU 22 Cb 0.52 -2.67 -0.03 0.00 0.53 0.00 0.00 43.42 41.77 2djx n LEU 22 CO 0.33 0.41 0.28 0.00 -1.11 0.00 0.00 177.39 177.31 2djx s THR 25 N -2.53 3.76 0.24 0.00 -4.23 -1.26 -4.59 115.64 107.02 2djx s THR 25 Ca -0.28 -1.25 -0.05 0.00 -1.18 0.00 0.00 61.69 58.93 2djx s THR 25 Cb 0.08 -3.27 0.20 0.00 1.34 0.00 0.00 72.50 70.84 2djx s THR 25 CO 0.69 -0.18 1.81 -0.08 -0.54 0.00 0.00 174.62 176.32 2djx h GLU 26 N 1.14 0.75 -0.49 3.99 4.81 -1.99 -1.62 114.58 121.16 2djx h GLU 26 Ca -0.45 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 58.80 2djx h GLU 26 Cb 1.25 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 30.41 2djx h GLU 26 CO 0.57 0.49 0.16 1.49 -0.73 0.00 0.00 179.01 180.99 2djx h GLU 27 N 0.77 0.31 -0.22 1.92 4.81 -1.99 -0.62 114.58 119.55 2djx h GLU 27 Ca 0.38 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.59 2djx h GLU 27 Cb 0.32 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2djx h GLU 27 CO -0.24 0.21 0.13 -0.44 -0.73 0.00 0.00 179.01 177.95 2djx h ASP 28 N 0.32 0.22 -0.68 1.04 3.32 -1.74 -1.36 116.42 117.55 2djx h ASP 28 Ca 0.24 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 2djx h ASP 28 Cb 0.27 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2djx h ASP 28 CO -0.26 0.16 0.18 -0.07 -1.72 0.00 0.00 179.24 177.53 2djx h LEU 29 N 0.28 1.03 -1.03 1.55 3.38 -0.96 -1.12 115.31 118.44 2djx h LEU 29 Ca 0.09 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2djx h LEU 29 Cb -0.01 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2djx h LEU 29 CO -0.03 0.99 0.22 0.03 0.09 0.00 0.00 178.44 179.73 2djx h ARG 30 N 1.02 0.92 -0.04 1.13 3.08 -1.00 -1.02 114.38 118.47 2djx h ARG 30 Ca 0.22 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 2djx h ARG 30 Cb 0.35 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 2djx h ARG 30 CO 0.00 0.77 0.01 0.00 -1.07 0.00 0.00 179.97 179.68 2djx h MET 32 N -0.10 1.03 -0.71 0.00 2.86 -1.07 -2.10 114.93 114.84 2djx h MET 32 Ca 0.01 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.53 2djx h MET 32 Cb 0.16 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 2djx h MET 32 CO -0.00 0.68 0.18 1.15 1.06 0.00 0.00 176.91 179.98 2djx h THR 33 N 1.06 1.26 0.00 2.22 2.02 -1.04 -3.01 112.91 115.42 2djx h THR 33 Ca 0.30 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.53 2djx h THR 33 Cb -0.09 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 2djx h THR 33 CO -0.07 0.37 0.00 0.00 0.37 0.00 0.00 175.52 176.19 2djx h ALA 34 N 1.13 1.00 -2.19 6.16 0.00 -0.61 -3.46 119.26 121.29 2djx h ALA 34 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.70 2djx h ALA 34 Cb 0.35 0.00 0.17 0.00 0.00 0.00 0.00 17.79 18.31 2djx h ALA 34 CO -0.00 0.00 0.19 -1.54 0.00 0.00 0.00 179.25 177.90 2djx s SER 35 N -5.07 1.92 -0.07 0.00 1.04 -0.85 -4.97 113.70 105.71 2djx s SER 35 Ca 0.05 0.82 0.09 0.00 0.48 0.00 0.00 55.95 57.38 2djx s SER 35 Cb 0.09 -1.23 0.38 0.00 0.10 0.00 0.00 66.02 65.37 2djx s SER 35 CO 0.52 -3.52 1.19 -1.54 0.98 0.00 0.00 173.24 170.87 2djx n SER 36 N -4.39 2.85 -4.76 7.02 3.41 -1.26 -4.94 113.62 111.56 2djx n SER 36 Ca 0.10 -2.28 -0.35 0.00 -0.26 0.00 0.00 58.87 56.07 2djx n SER 36 Cb 0.59 -0.46 0.03 0.00 -0.26 0.00 0.00 64.21 64.11 2djx n SER 36 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2djx s SER 37 N -0.64 5.19 0.37 4.04 1.04 -1.26 -4.83 113.70 117.61 2djx s SER 37 Ca 0.27 2.29 0.20 0.00 0.48 0.00 0.00 55.95 59.19 2djx s SER 37 Cb 0.18 -2.59 0.47 0.00 0.10 0.00 0.00 66.02 64.18 2djx s SER 37 CO 0.12 -1.59 1.63 1.23 0.98 0.00 0.00 173.24 175.61 2djx h GLY 38 N 0.73 0.00 -1.46 7.32 0.00 -0.94 -3.48 103.07 105.24 2djx h GLY 38 Ca -0.50 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.75 2djx h GLY 38 CO 0.55 0.00 0.11 0.00 0.00 0.00 0.00 176.54 177.20 2djx s ALA 39 N -3.29 -0.33 0.06 3.60 0.00 -1.11 -4.26 121.76 116.42 2djx s ALA 39 Ca 0.03 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 51.01 2djx s ALA 39 Cb 0.08 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 24.05 2djx s ALA 39 CO 0.69 -0.93 0.09 -0.48 0.00 0.00 0.00 175.76 175.14 2djx s LEU 40 N -3.10 1.85 -0.01 0.00 2.34 -1.11 -4.26 118.68 114.40 2djx s LEU 40 Ca 0.20 -0.68 0.05 0.00 0.06 0.00 0.00 54.13 53.76 2djx s LEU 40 Cb -0.04 0.64 -0.01 0.00 -0.56 0.00 0.00 46.19 46.22 2djx s LEU 40 CO 0.13 -0.59 -0.17 0.54 -1.06 0.00 0.00 176.35 175.20 2djx s VAL 41 N -3.28 1.36 0.58 1.48 0.11 -1.26 -1.22 120.40 118.17 2djx s VAL 41 Ca 0.01 -0.76 -0.13 0.00 -2.93 0.00 0.00 61.98 58.17 2djx s VAL 41 Cb 0.03 -1.13 -0.05 0.00 -1.53 0.00 0.00 36.38 33.69 2djx s VAL 41 CO -0.08 0.36 1.01 -0.94 -3.33 0.00 0.00 175.10 172.13 2djx s SER 42 N -0.47 6.36 0.23 3.54 1.04 -0.62 -4.74 113.70 119.04 2djx s SER 42 Ca 0.06 1.46 -0.31 0.00 0.48 0.00 0.00 55.95 57.64 2djx s SER 42 Cb -0.07 -2.48 -0.14 0.00 0.10 0.00 0.00 66.02 63.43 2djx s SER 42 CO -0.00 -0.77 1.35 1.17 0.98 0.00 0.00 173.24 175.96 2djx n LYS 43 N -2.36 1.85 -1.66 4.02 3.00 -0.65 -3.81 118.16 118.55 2djx n LYS 43 Ca 0.06 0.66 -0.49 0.00 -0.00 0.00 0.00 58.31 58.54 2djx n LYS 43 Cb 0.54 -2.28 -0.05 0.00 0.00 0.00 0.00 35.03 33.24 2djx n LYS 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2djx n SER 44 N 2.10 2.81 -4.56 3.14 7.64 -1.26 -4.61 113.62 118.89 2djx n SER 44 Ca 0.12 1.06 -0.24 0.00 1.01 0.00 0.00 58.87 60.82 2djx n SER 44 Cb 0.30 -1.34 -0.09 0.00 -1.01 0.00 0.00 64.21 62.07 2djx n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2djx s THR 46 N -2.27 2.05 0.19 0.00 -4.23 -1.26 -1.34 115.64 108.79 2djx s THR 46 Ca 0.29 -2.08 -0.11 0.00 -1.18 0.00 0.00 61.69 58.61 2djx s THR 46 Cb -0.06 -2.85 0.11 0.00 1.34 0.00 0.00 72.50 71.03 2djx s THR 46 CO 0.17 -0.08 1.79 0.28 -0.54 0.00 0.00 174.62 176.24 2djx h SER 47 N 1.88 0.41 -2.90 3.99 0.02 -1.94 0.00 113.55 115.02 2djx h SER 47 Ca -0.43 0.04 -0.60 0.00 -0.84 0.00 0.00 61.79 59.96 2djx h SER 47 Cb 1.24 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 63.66 2djx h SER 47 CO 0.77 0.27 -0.59 0.00 -1.14 0.00 0.00 176.83 176.14 2djx s ALA 48 N -6.11 3.54 0.60 3.77 0.00 -1.26 -3.71 121.76 118.58 2djx s ALA 48 Ca -0.13 -1.15 -0.19 0.00 0.00 0.00 0.00 51.96 50.49 2djx s ALA 48 Cb 0.15 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 2djx s ALA 48 CO 0.74 0.59 1.09 -2.30 0.00 0.00 0.00 175.76 175.89 2djx n PRO 49 N -0.04 1.06 -4.45 0.00 -0.02 -1.26 -4.49 135.00 125.80 2djx n PRO 49 Ca -0.09 0.41 -0.20 0.00 -2.02 0.00 0.00 63.50 61.60 2djx n PRO 49 Cb 0.54 -2.30 -0.15 0.00 -0.02 0.00 0.00 33.50 31.57 2djx n PRO 49 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2djx s ARG 50 N -2.88 0.94 0.34 -0.52 0.52 -0.73 -4.93 118.95 111.69 2djx s ARG 50 Ca 0.76 -0.36 0.18 0.00 -0.52 0.00 0.00 55.73 55.80 2djx s ARG 50 Cb -0.41 -0.89 0.26 0.00 0.52 0.00 0.00 34.95 34.42 2djx s ARG 50 CO 0.46 0.18 1.54 -0.44 0.02 0.00 0.00 175.30 177.06 2djx h ASP 51 N 6.11 0.00 -3.88 0.23 3.32 -1.88 -2.52 116.42 117.81 2djx h ASP 51 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2djx h ASP 51 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2djx h ASP 51 CO 0.49 0.36 0.00 0.61 -1.72 0.00 0.00 179.24 178.98 2djx n GLY 52 N 1.02 -2.09 3.84 2.75 0.00 -1.26 -4.66 105.19 104.79 2djx n GLY 52 Ca 0.02 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.30 2djx n GLY 52 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2djx s ASN 53 N -4.00 5.73 0.57 1.61 0.01 -0.13 -4.97 114.94 113.75 2djx s ASN 53 Ca 0.00 1.54 -0.20 0.00 -0.71 0.00 0.00 52.86 53.49 2djx s ASN 53 Cb 0.00 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 39.13 2djx s ASN 53 CO 0.00 -1.21 1.27 -2.84 -1.51 0.00 0.00 177.10 172.81 2djx s PRO 54 N -5.09 3.05 0.39 -0.60 0.02 -1.26 -4.94 135.00 126.57 2djx s PRO 54 Ca 0.57 2.01 -0.15 0.00 0.02 0.00 0.00 61.00 63.45 2djx s PRO 54 Cb -0.13 -2.09 -0.09 0.00 0.02 0.00 0.00 34.50 32.21 2djx s PRO 54 CO 0.54 -1.19 0.82 -1.21 -0.33 0.00 0.00 177.00 175.64 2djx s GLU 55 N -3.10 3.98 0.22 5.54 0.41 -1.26 -4.12 118.70 120.37 2djx s GLU 55 Ca 0.75 0.75 -0.30 0.00 -0.41 0.00 0.00 54.97 55.76 2djx s GLU 55 Cb -0.35 -2.33 -0.09 0.00 -1.78 0.00 0.00 34.13 29.58 2djx s GLU 55 CO 0.40 0.01 1.20 -1.25 -0.49 0.00 0.00 175.26 175.12 2djx s PRO 56 N -3.40 4.50 0.00 0.39 0.04 -1.26 -4.77 135.00 130.50 2djx s PRO 56 Ca 0.56 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2djx s PRO 56 Cb -0.10 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2djx s PRO 56 CO 0.22 -0.04 0.17 2.89 0.04 0.00 0.00 177.00 180.28 2djx n ARG 57 N 2.07 2.27 -3.99 4.56 1.85 -1.26 -0.67 116.66 121.50 2djx n ARG 57 Ca 0.03 -0.17 -0.16 0.00 -1.00 0.00 0.00 57.85 56.55 2djx n ARG 57 Cb 0.44 -0.59 -0.15 0.00 -1.05 0.00 0.00 32.46 31.10 2djx n ARG 57 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 2djx s TYR 58 N -0.37 0.31 -0.06 2.89 6.14 -1.26 -0.81 117.35 124.19 2djx s TYR 58 Ca 0.00 -0.03 -0.04 0.00 0.64 0.00 0.00 57.07 57.64 2djx s TYR 58 Cb 0.00 -0.31 0.03 0.00 0.42 0.00 0.00 41.96 42.09 2djx s TYR 58 CO 0.00 -0.07 0.14 -1.64 0.64 0.00 0.00 175.55 174.62 2djx s MET 59 N 0.51 0.13 0.10 4.97 -1.94 -0.84 -5.04 119.30 117.19 2djx s MET 59 Ca -0.05 0.28 0.07 0.00 -1.71 0.00 0.00 55.69 54.28 2djx s MET 59 Cb -0.08 -0.05 -0.04 0.00 2.01 0.00 0.00 34.83 36.67 2djx s MET 59 CO -0.01 -0.09 -0.09 0.00 -0.01 0.00 0.00 175.02 174.82 2djx s ALA 60 N 0.62 3.00 0.18 3.03 0.00 -1.26 -1.62 121.76 125.71 2djx s ALA 60 Ca -0.05 -1.22 -0.05 0.00 0.00 0.00 0.00 51.96 50.64 2djx s ALA 60 Cb -0.06 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 2djx s ALA 60 CO -0.03 0.65 0.21 -0.06 0.00 0.00 0.00 175.76 176.53 2djx s PHE 61 N -1.22 0.75 0.31 0.00 0.40 0.45 -5.01 117.98 113.65 2djx s PHE 61 Ca 0.22 -1.07 0.08 0.00 -0.60 0.00 0.00 56.93 55.56 2djx s PHE 61 Cb -0.11 -0.28 0.84 0.00 0.51 0.00 0.00 43.02 43.98 2djx s PHE 61 CO 0.14 -0.69 1.73 -1.35 0.70 0.00 0.00 175.22 175.75 2djx h PRO 62 N 2.60 0.56 -0.13 0.24 0.11 -2.03 -2.21 132.00 131.14 2djx h PRO 62 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2djx h PRO 62 Cb 1.23 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2djx h PRO 62 CO 0.50 0.37 0.00 1.28 -0.21 0.00 0.00 178.00 179.94 2djx n LEU 63 N -4.89 2.48 0.00 2.35 4.77 -1.26 -4.88 117.00 115.57 2djx n LEU 63 Ca 0.26 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 2djx n LEU 63 Cb 0.71 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 2djx n LEU 63 CO 0.16 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 2djx n GLY 64 N 1.30 0.49 3.24 -0.72 0.00 -0.83 -1.43 105.19 107.24 2djx n GLY 64 Ca 0.17 -1.50 -0.15 0.00 0.00 0.00 0.00 46.02 44.53 2djx n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2djx s SER 65 N -4.00 1.80 -0.01 1.61 1.04 -0.48 -0.41 113.70 113.26 2djx s SER 65 Ca 0.00 -0.93 0.06 0.00 0.48 0.00 0.00 55.95 55.55 2djx s SER 65 Cb 0.00 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.08 2djx s SER 65 CO 0.00 -0.27 -0.18 -0.51 0.98 0.00 0.00 173.24 173.26 2djx s ILE 66 N -2.90 1.40 -0.01 -1.02 2.07 -0.64 -1.74 121.20 118.35 2djx s ILE 66 Ca 0.13 -0.79 -0.13 0.00 -1.41 0.00 0.00 60.65 58.45 2djx s ILE 66 Cb -0.00 -1.17 0.02 0.00 0.13 0.00 0.00 42.46 41.44 2djx s ILE 66 CO 0.01 0.36 0.27 0.54 -1.91 0.00 0.00 174.94 174.22 2djx s ASN 67 N -0.49 -0.15 -0.41 4.50 2.20 -0.65 -1.98 114.94 117.95 2djx s ASN 67 Ca 0.07 0.04 0.08 0.00 -0.94 0.00 0.00 52.86 52.11 2djx s ASN 67 Cb -0.07 0.30 0.26 0.00 -2.00 0.00 0.00 41.25 39.74 2djx s ASN 67 CO -0.00 -0.42 0.56 -0.24 -2.94 0.00 0.00 177.10 174.05 2djx n SER 68 N 1.35 0.54 -0.24 3.54 2.88 0.01 -0.94 113.62 120.76 2djx n SER 68 Ca -0.22 -2.79 -0.06 0.00 -1.33 0.00 0.00 58.87 54.48 2djx n SER 68 Cb 0.56 -0.64 0.05 0.00 -0.75 0.00 0.00 64.21 63.43 2djx n SER 68 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 2djx h MET 69 N 3.90 0.94 0.00 -1.46 2.86 -1.90 -3.42 114.93 115.86 2djx h MET 69 Ca 0.08 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2djx h MET 69 Cb 0.87 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.35 2djx h MET 69 CO 0.50 0.70 0.00 0.41 1.06 0.00 0.00 176.91 179.58 2djx n GLY 70 N -1.07 0.82 3.74 8.32 0.00 -1.26 -0.96 105.19 114.77 2djx n GLY 70 Ca 0.05 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 2djx n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2djx n LEU 71 N 0.00 -3.00 -4.71 0.99 4.77 -1.26 -4.24 117.00 109.55 2djx n LEU 71 Ca 0.00 -0.82 -0.42 0.00 -0.03 0.00 0.00 56.01 54.74 2djx n LEU 71 Cb 0.27 -2.63 -0.03 0.00 -2.33 0.00 0.00 43.42 38.70 2djx n LEU 71 CO 0.00 0.42 1.12 -2.16 -1.33 0.00 0.00 177.39 175.44 2djx s PRO 72 N -6.08 4.29 0.13 3.23 0.04 -1.26 -4.64 135.00 130.71 2djx s PRO 72 Ca 0.08 2.15 -0.24 0.00 0.04 0.00 0.00 61.00 63.03 2djx s PRO 72 Cb -0.04 -3.25 0.07 0.00 0.04 0.00 0.00 34.50 31.32 2djx s PRO 72 CO 0.82 -0.50 0.67 0.54 0.04 0.00 0.00 177.00 178.57 2djx s ASN 73 N 1.21 -0.51 0.00 6.66 2.20 -0.95 -4.96 114.94 118.59 2djx s ASN 73 Ca 0.66 -0.03 0.28 0.00 -0.94 0.00 0.00 52.86 52.83 2djx s ASN 73 Cb -0.38 0.56 1.64 0.00 -2.00 0.00 0.00 41.25 41.06 2djx s ASN 73 CO 0.30 -0.91 2.06 0.18 -2.94 0.00 0.00 177.10 175.79 2djx n LEU 74 N -0.36 0.12 0.00 3.54 4.77 -1.26 -1.77 117.00 122.04 2djx n LEU 74 Ca -0.14 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2djx n LEU 74 Cb 0.64 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 2djx n LEU 74 CO 0.12 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 2djx n GLY 75 N 0.96 0.79 0.33 -0.72 0.00 -1.26 -4.48 105.19 100.81 2djx n GLY 75 Ca 0.21 -1.62 0.07 0.00 0.00 0.00 0.00 46.02 44.68 2djx n GLY 75 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2djx h PHE 76 N 0.00 0.92 -0.83 1.61 3.57 -1.07 -2.21 116.94 118.93 2djx h PHE 76 Ca 0.00 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.65 2djx h PHE 76 Cb 0.00 -0.27 -0.08 0.00 2.79 0.00 0.00 35.95 38.38 2djx h PHE 76 CO 0.00 0.29 0.46 -0.44 -2.23 0.00 0.00 178.31 176.39 2djx h ASP 77 N 0.76 0.62 -0.10 0.41 5.19 -1.86 -0.92 116.42 120.52 2djx h ASP 77 Ca 0.47 0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.95 2djx h ASP 77 Cb 0.59 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.05 2djx h ASP 77 CO -0.32 0.32 0.05 0.15 -3.12 0.00 0.00 179.24 176.32 2djx h PHE 78 N 0.72 0.14 -0.19 4.55 3.57 -1.62 -2.14 116.94 121.97 2djx h PHE 78 Ca 0.42 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.79 2djx h PHE 78 Cb 0.48 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2djx h PHE 78 CO -0.07 0.20 -0.41 1.88 -2.23 0.00 0.00 178.31 177.67 2djx h TYR 79 N 0.04 0.54 -0.64 0.41 0.05 -1.38 -1.47 116.97 114.52 2djx h TYR 79 Ca 0.03 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 58.65 2djx h TYR 79 Cb 0.11 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.70 2djx h TYR 79 CO -0.03 0.79 0.35 1.25 -1.05 0.00 0.00 178.16 179.47 2djx h LEU 80 N 0.37 0.80 -0.79 3.88 5.85 -1.19 -2.21 115.31 122.02 2djx h LEU 80 Ca 0.03 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.60 2djx h LEU 80 Cb 0.88 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 2djx h LEU 80 CO 0.07 0.66 0.21 0.50 -0.34 0.00 0.00 178.44 179.54 2djx h LYS 81 N 0.87 1.12 -0.05 1.25 3.64 -1.14 -0.74 116.57 121.52 2djx h LYS 81 Ca 0.23 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2djx h LYS 81 Cb 0.04 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2djx h LYS 81 CO -0.04 0.96 -0.00 -0.92 -2.27 0.00 0.00 179.45 177.18 2djx h TYR 82 N 1.07 -0.00 -0.73 1.91 3.20 -1.07 -0.23 116.97 121.12 2djx h TYR 82 Ca 0.23 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 2djx h TYR 82 Cb 0.32 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 2djx h TYR 82 CO 0.03 -0.01 0.34 0.00 -1.64 0.00 0.00 178.16 176.88 2djx h ALA 83 N 1.04 1.21 0.20 1.82 0.00 -1.27 -0.27 119.26 122.00 2djx h ALA 83 Ca 0.02 -0.16 -0.32 0.00 0.00 0.00 0.00 54.91 54.46 2djx h ALA 83 Cb 0.03 -0.29 0.03 0.00 0.00 0.00 0.00 17.79 17.56 2djx h ALA 83 CO -0.04 0.60 -1.39 1.03 0.00 0.00 0.00 179.25 179.44 2djx h SER 84 N 1.05 0.84 0.00 0.00 0.87 -0.86 -3.42 113.55 112.02 2djx h SER 84 Ca 0.25 -0.85 -0.02 0.00 -1.23 0.00 0.00 61.79 59.94 2djx h SER 84 Cb 0.13 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 2djx h SER 84 CO -0.03 1.66 -1.08 0.47 -0.53 0.00 0.00 176.83 177.32 2djx n ASP 85 N -3.73 4.71 -0.10 6.23 8.00 -0.12 -4.92 116.55 126.63 2djx n ASP 85 Ca -0.15 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.22 2djx n ASP 85 Cb 1.06 0.63 -0.09 0.00 -0.02 0.00 0.00 41.12 42.70 2djx n ASP 85 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2djx n LEU 86 N -1.95 2.67 -4.75 0.64 4.77 -0.60 -4.99 117.00 112.79 2djx n LEU 86 Ca -0.02 -0.10 -0.41 0.00 -0.03 0.00 0.00 56.01 55.46 2djx n LEU 86 Cb 0.44 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 2djx n LEU 86 CO 0.02 0.79 1.11 -2.28 -1.33 0.00 0.00 177.39 175.70 2djx s HIS 87 N -2.39 3.00 -0.67 -1.77 2.46 -0.21 -4.98 115.29 110.73 2djx s HIS 87 Ca -0.25 1.02 -0.20 0.00 0.47 0.00 0.00 55.06 56.10 2djx s HIS 87 Cb 0.07 -3.83 0.10 0.00 -0.13 0.00 0.00 32.58 28.78 2djx s HIS 87 CO 0.48 -2.72 0.85 0.34 -2.47 0.00 0.00 174.74 171.21 2djx s ASP 88 N 0.36 6.26 0.35 9.88 -1.08 -1.26 -4.91 116.67 126.27 2djx s ASP 88 Ca 0.59 -1.43 0.26 0.00 -0.52 0.00 0.00 52.55 51.45 2djx s ASP 88 Cb -0.42 -2.35 1.21 0.00 -1.46 0.00 0.00 42.92 39.90 2djx s ASP 88 CO 0.44 -1.19 1.78 1.88 0.52 0.00 0.00 175.17 178.60 2djx h TYR 89 N 9.20 0.00 0.00 -5.34 0.05 -1.94 -2.13 116.97 116.81 2djx h TYR 89 Ca -0.21 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.57 2djx h TYR 89 Cb 1.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.81 2djx h TYR 89 CO 0.93 0.00 0.00 0.66 -1.05 0.00 0.00 178.16 178.70 2djx h SER 90 N 0.00 0.00 0.00 3.88 4.64 -2.02 -3.27 113.55 116.78 2djx h SER 90 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2djx h SER 90 Cb 0.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2djx h SER 90 CO 0.00 0.00 -0.26 0.11 -0.87 0.00 0.00 176.83 175.81 2djx h LYS 91 N 0.00 0.00 -2.12 4.77 1.79 -1.80 -3.50 116.57 115.71 2djx h LYS 91 Ca 0.00 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.58 2djx h LYS 91 Cb 0.50 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 30.98 2djx h LYS 91 CO 0.00 0.57 0.52 -1.59 -1.08 0.00 0.00 179.45 177.86 2djx s LYS 92 N -2.04 0.76 0.57 3.15 -2.85 -1.23 -5.01 119.74 113.09 2djx s LYS 92 Ca -0.14 -0.21 -0.20 0.00 -1.00 0.00 0.00 55.97 54.42 2djx s LYS 92 Cb -0.00 0.35 -0.04 0.00 -2.06 0.00 0.00 37.83 36.08 2djx s LYS 92 CO 0.40 -0.32 1.25 -2.14 0.10 0.00 0.00 175.35 174.64 2djx s PRO 93 N -2.74 3.06 -0.11 1.78 0.02 -1.26 -4.56 135.00 131.19 2djx s PRO 93 Ca 0.04 1.95 0.01 0.00 0.02 0.00 0.00 61.00 63.02 2djx s PRO 93 Cb -0.01 -2.06 -0.01 0.00 0.02 0.00 0.00 34.50 32.44 2djx s PRO 93 CO -0.07 -1.17 -0.16 -1.17 -0.33 0.00 0.00 177.00 174.10 2djx s LEU 94 N -3.84 2.54 -0.04 -5.54 2.96 -1.26 -2.74 118.68 110.76 2djx s LEU 94 Ca 0.75 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 54.26 2djx s LEU 94 Cb -0.34 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 2djx s LEU 94 CO 0.38 0.18 0.07 -0.36 -1.32 0.00 0.00 176.35 175.30 2djx s PHE 95 N 0.24 3.31 -0.19 5.38 0.40 -0.36 -2.09 117.98 124.68 2djx s PHE 95 Ca -0.11 0.25 -0.01 0.00 -0.60 0.00 0.00 56.93 56.47 2djx s PHE 95 Cb -0.16 -1.78 0.01 0.00 0.51 0.00 0.00 43.02 41.60 2djx s PHE 95 CO 0.06 0.56 -0.14 -1.17 0.70 0.00 0.00 175.22 175.23 2djx s LEU 96 N -1.42 2.44 -0.11 -0.37 0.20 0.08 -1.59 118.68 117.92 2djx s LEU 96 Ca 0.19 -0.54 -0.13 0.00 0.69 0.00 0.00 54.13 54.35 2djx s LEU 96 Cb -0.12 -1.58 -0.05 0.00 -0.43 0.00 0.00 46.19 44.01 2djx s LEU 96 CO 0.10 0.00 0.30 -0.55 -0.29 0.00 0.00 176.35 175.91 2djx s SER 97 N 1.30 6.53 0.05 3.68 0.15 -1.25 -1.34 113.70 122.82 2djx s SER 97 Ca 0.04 0.62 0.09 0.00 0.70 0.00 0.00 55.95 57.40 2djx s SER 97 Cb -0.14 -2.18 -0.03 0.00 -1.71 0.00 0.00 66.02 61.96 2djx s SER 97 CO -0.08 0.21 -0.26 0.27 1.20 0.00 0.00 173.24 174.58 2djx s ILE 98 N -0.18 2.09 -0.41 6.45 -4.36 -0.87 -2.17 121.20 121.74 2djx s ILE 98 Ca 0.18 -1.38 0.09 0.00 -0.26 0.00 0.00 60.65 59.28 2djx s ILE 98 Cb -0.14 -1.79 0.28 0.00 1.25 0.00 0.00 42.46 42.06 2djx s ILE 98 CO 0.06 0.34 0.68 -0.24 0.24 0.00 0.00 174.94 176.02 2djx n SER 99 N 1.76 -0.37 -4.69 4.36 2.88 -0.45 -1.34 113.62 115.78 2djx n SER 99 Ca -0.17 -2.95 -0.34 0.00 -1.33 0.00 0.00 58.87 54.08 2djx n SER 99 Cb 0.52 -0.03 0.12 0.00 -0.75 0.00 0.00 64.21 64.08 2djx n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djx n GLY 100 N 1.08 0.03 0.45 0.46 0.00 -1.26 -4.69 105.19 101.27 2djx n GLY 100 Ca 0.19 -0.46 0.14 0.00 0.00 0.00 0.00 46.02 45.89 2djx n GLY 100 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2djx n LEU 101 N -3.14 1.43 -3.81 0.99 4.77 -1.26 -4.87 117.00 111.12 2djx n LEU 101 Ca 0.14 -0.47 -0.09 0.00 -0.03 0.00 0.00 56.01 55.56 2djx n LEU 101 Cb 0.50 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 2djx n LEU 101 CO 0.48 0.24 0.28 -0.94 -1.33 0.00 0.00 177.39 176.12 2djx s SER 102 N -2.05 -0.23 0.22 -1.43 1.04 -1.26 -5.04 113.70 104.96 2djx s SER 102 Ca 0.37 -0.59 -0.08 0.00 0.48 0.00 0.00 55.95 56.13 2djx s SER 102 Cb 0.21 0.60 0.17 0.00 0.10 0.00 0.00 66.02 67.10 2djx s SER 102 CO 0.35 -1.11 1.83 1.62 0.98 0.00 0.00 173.24 176.91 2djx h VAL 103 N 2.18 1.25 -0.72 5.02 3.04 -1.99 -2.83 116.25 122.19 2djx h VAL 103 Ca -0.27 -0.63 0.03 0.00 -1.01 0.00 0.00 66.70 64.83 2djx h VAL 103 Cb 1.26 0.16 -0.05 0.00 -2.01 0.00 0.00 31.29 30.65 2djx h VAL 103 CO 0.35 0.28 0.45 -0.33 -1.01 0.00 0.00 177.57 177.31 2djx h GLU 104 N 1.15 0.84 -0.35 4.17 3.07 -1.99 -1.41 114.58 120.06 2djx h GLU 104 Ca 0.29 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.08 2djx h GLU 104 Cb 0.05 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 2djx h GLU 104 CO -0.04 0.56 0.16 1.49 -1.40 0.00 0.00 179.01 179.77 2djx h GLU 105 N 0.87 0.52 -0.51 2.33 4.81 -1.92 -1.12 114.58 119.56 2djx h GLU 105 Ca 0.29 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2djx h GLU 105 Cb 0.04 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 2djx h GLU 105 CO -0.12 0.49 0.33 -0.91 -0.73 0.00 0.00 179.01 178.07 2djx h ASN 106 N 0.43 0.59 -0.65 1.04 2.35 -1.27 -2.43 115.58 115.63 2djx h ASN 106 Ca 0.12 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 2djx h ASN 106 Cb 0.15 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2djx h ASN 106 CO -0.01 0.44 0.43 0.58 -1.65 0.00 0.00 177.43 177.21 2djx h VAL 107 N 0.68 1.15 -0.62 2.81 2.07 -1.08 -1.45 116.25 119.82 2djx h VAL 107 Ca 0.18 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.48 2djx h VAL 107 Cb -0.06 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 29.86 2djx h VAL 107 CO -0.04 0.16 0.29 0.00 0.02 0.00 0.00 177.57 178.00 2djx h ALA 108 N 1.24 0.82 -0.18 1.67 0.00 -0.98 -2.27 119.26 119.56 2djx h ALA 108 Ca 0.24 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 2djx h ALA 108 Cb -0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2djx h ALA 108 CO -0.06 -0.10 -0.08 0.52 0.00 0.00 0.00 179.25 179.53 2djx h MET 109 N 0.52 0.37 -0.02 0.00 2.07 -1.01 -3.22 114.93 113.64 2djx h MET 109 Ca 0.30 -0.16 -0.07 0.00 -2.07 0.00 0.00 59.70 57.70 2djx h MET 109 Cb 0.29 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.00 2djx h MET 109 CO -0.24 0.67 -0.30 -0.39 1.07 0.00 0.00 176.91 177.71 2djx h VAL 110 N 0.05 1.22 -0.74 -2.22 -1.51 -1.11 -0.42 116.25 111.52 2djx h VAL 110 Ca 0.04 -1.05 0.03 0.00 -1.23 0.00 0.00 66.70 64.49 2djx h VAL 110 Cb 0.55 1.55 -0.04 0.00 -2.13 0.00 0.00 31.29 31.22 2djx h VAL 110 CO 0.02 0.30 0.49 0.03 -1.23 0.00 0.00 177.57 177.19 2djx h ARG 111 N 0.03 0.89 0.04 5.19 3.08 -1.42 -1.84 114.38 120.33 2djx h ARG 111 Ca 0.00 -0.05 -0.25 0.00 0.07 0.00 0.00 59.98 59.75 2djx h ARG 111 Cb 0.54 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 2djx h ARG 111 CO 0.04 0.59 -1.28 0.00 -1.07 0.00 0.00 179.97 178.25 2djx h ARG 112 N 0.91 0.08 -0.38 0.04 3.08 -1.39 -3.35 114.38 113.38 2djx h ARG 112 Ca 0.29 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 60.11 2djx h ARG 112 Cb 0.03 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2djx h ARG 112 CO -0.08 0.95 -0.16 1.25 -1.07 0.00 0.00 179.97 180.86 2djx h LEU 113 N 0.02 0.68 -0.45 3.04 5.85 -0.80 -3.36 115.31 120.29 2djx h LEU 113 Ca -0.13 -0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.47 2djx h LEU 113 Cb 1.89 -0.18 -0.09 0.00 0.37 0.00 0.00 40.66 42.65 2djx h LEU 113 CO 0.13 0.85 -0.16 0.00 -0.34 0.00 0.00 178.44 178.93 2djx h ALA 114 N 1.21 0.21 -0.36 1.25 0.00 -1.48 -0.97 119.26 119.12 2djx h ALA 114 Ca 0.10 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.19 2djx h ALA 114 Cb 0.62 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2djx h ALA 114 CO 0.04 -0.50 0.24 -1.00 0.00 0.00 0.00 179.25 178.03 2djx h PRO 115 N -0.06 0.45 -0.24 0.00 0.13 -1.81 -1.26 132.00 129.20 2djx h PRO 115 Ca 0.22 -0.03 -0.20 0.00 -0.87 0.00 0.00 66.00 65.12 2djx h PRO 115 Cb 0.39 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.42 2djx h PRO 115 CO -0.49 0.30 -0.62 0.28 -0.23 0.00 0.00 178.00 177.24 2djx h VAL 116 N 0.47 1.28 -0.68 1.56 2.07 -1.46 -2.36 116.25 117.12 2djx h VAL 116 Ca 0.14 -1.80 0.02 0.00 0.82 0.00 0.00 66.70 65.87 2djx h VAL 116 Cb -0.02 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 2djx h VAL 116 CO -0.03 0.58 0.43 0.00 0.02 0.00 0.00 177.57 178.57 2djx h ALA 117 N 0.63 0.88 -0.59 1.67 0.00 -0.94 0.73 119.26 121.64 2djx h ALA 117 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2djx h ALA 117 Cb 1.24 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2djx h ALA 117 CO 0.13 0.22 0.27 0.37 0.00 0.00 0.00 179.25 180.25 2djx h GLN 118 N 0.86 0.85 0.02 0.00 5.75 -1.19 -1.03 115.11 120.37 2djx h GLN 118 Ca 0.26 -0.13 -0.13 0.00 -0.15 0.00 0.00 58.65 58.50 2djx h GLN 118 Cb -0.03 -0.15 0.01 0.00 1.07 0.00 0.00 27.48 28.39 2djx h GLN 118 CO -0.09 0.70 -0.52 1.49 -2.65 0.00 0.00 178.83 177.76 2djx h GLU 119 N 0.80 0.31 0.00 1.69 4.57 -1.26 -3.40 114.58 117.29 2djx h GLU 119 Ca 0.20 -0.37 -0.06 0.00 -1.18 0.00 0.00 59.36 57.95 2djx h GLU 119 Cb 0.14 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 2djx h GLU 119 CO -0.02 1.08 -1.87 1.63 -1.18 0.00 0.00 179.01 178.65 2djx n LYS 120 N -4.29 0.71 -0.78 1.92 4.76 0.24 -5.02 118.16 115.69 2djx n LYS 120 Ca -0.11 -0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.21 2djx n LYS 120 Cb 0.65 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 32.42 2djx n LYS 120 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2djx n GLY 121 N 1.62 0.57 3.78 0.72 0.00 -0.39 -5.04 105.19 106.44 2djx n GLY 121 Ca -0.08 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 2djx n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2djx s VAL 122 N -2.00 2.02 -0.16 1.61 0.11 -1.26 -4.86 120.40 115.86 2djx s VAL 122 Ca 0.00 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.03 2djx s VAL 122 Cb 0.00 -3.01 -0.03 0.00 -1.53 0.00 0.00 36.38 31.81 2djx s VAL 122 CO 0.00 0.00 -0.03 -0.76 -3.33 0.00 0.00 175.10 170.98 2djx s LEU 123 N -2.32 3.25 -0.00 2.54 1.43 -0.89 -4.66 118.68 118.03 2djx s LEU 123 Ca 0.56 -0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 53.24 2djx s LEU 123 Cb -0.46 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 2djx s LEU 123 CO 0.62 0.16 0.92 -0.22 0.23 0.00 0.00 176.35 178.06 2djx s LEU 124 N 0.40 4.37 -0.28 1.79 2.96 -1.26 -0.74 118.68 125.93 2djx s LEU 124 Ca -0.04 1.58 -0.03 0.00 -0.22 0.00 0.00 54.13 55.42 2djx s LEU 124 Cb -0.14 -3.47 0.03 0.00 0.50 0.00 0.00 46.19 43.11 2djx s LEU 124 CO 0.03 -0.22 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.13 2djx s GLU 125 N 0.89 2.73 -0.28 1.98 2.12 -0.45 -1.19 118.70 124.50 2djx s GLU 125 Ca 0.49 -1.07 -0.22 0.00 0.36 0.00 0.00 54.97 54.53 2djx s GLU 125 Cb -0.21 -3.14 -0.01 0.00 0.26 0.00 0.00 34.13 31.04 2djx s GLU 125 CO 0.26 -0.49 0.72 -1.17 -0.54 0.00 0.00 175.26 174.04 2djx s LEU 126 N 1.33 4.09 -0.52 2.70 2.96 0.04 -2.06 118.68 127.22 2djx s LEU 126 Ca -0.01 0.68 -0.24 0.00 -0.22 0.00 0.00 54.13 54.34 2djx s LEU 126 Cb -0.18 -2.98 0.04 0.00 0.50 0.00 0.00 46.19 43.57 2djx s LEU 126 CO -0.02 -0.51 0.88 0.21 -1.32 0.00 0.00 176.35 175.59 2djx s ASN 127 N 1.55 6.35 -0.30 3.68 3.84 -0.45 -0.89 114.94 128.73 2djx s ASN 127 Ca 0.30 -0.32 0.10 0.00 0.21 0.00 0.00 52.86 53.14 2djx s ASN 127 Cb -0.15 -2.42 0.56 0.00 -0.55 0.00 0.00 41.25 38.69 2djx s ASN 127 CO 0.11 -1.13 1.56 0.18 -2.79 0.00 0.00 177.10 175.02 2djx n LEU 128 N 7.19 4.66 -0.22 3.21 4.77 -1.05 -4.70 117.00 130.86 2djx n LEU 128 Ca 0.01 -3.56 0.00 0.00 -0.03 0.00 0.00 56.01 52.43 2djx n LEU 128 Cb 0.47 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2djx n LEU 128 CO 0.62 1.08 0.22 -1.54 -1.33 0.00 0.00 177.39 176.44 2djx n SER 129 N -0.93 0.00 -4.67 -1.43 3.41 -1.25 -1.81 113.62 106.93 2djx n SER 129 Ca 0.36 -1.36 -0.42 0.00 -0.26 0.00 0.00 58.87 57.19 2djx n SER 129 Cb 1.14 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.99 2djx n SER 129 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2djx n PRO 131 N 6.95 3.48 0.00 0.00 -0.04 -1.26 -4.17 135.00 139.96 2djx n PRO 131 Ca 0.19 -2.83 0.00 0.00 -0.04 0.00 0.00 63.50 60.82 2djx n PRO 131 Cb 0.41 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 2djx n PRO 131 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2djx n ASN 132 N 1.24 0.16 -4.65 3.54 3.02 -1.26 -4.74 115.26 112.57 2djx n ASN 132 Ca 0.25 -0.57 -0.42 0.00 -0.03 0.00 0.00 54.58 53.81 2djx n ASN 132 Cb 0.82 0.80 -0.03 0.00 -0.61 0.00 0.00 39.78 40.76 2djx n ASN 132 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2djx s VAL 133 N -0.80 4.75 0.24 2.41 1.01 -1.26 -4.54 120.40 122.21 2djx s VAL 133 Ca 0.00 1.72 -0.31 0.00 0.00 0.00 0.00 61.98 63.38 2djx s VAL 133 Cb 0.00 -4.21 -0.12 0.00 0.00 0.00 0.00 36.38 32.05 2djx s VAL 133 CO 0.00 -0.15 1.59 -2.65 0.00 0.00 0.00 175.10 173.89 2djx n PRO 134 N 6.19 2.49 -1.00 2.72 -0.02 -1.26 -1.94 135.00 142.19 2djx n PRO 134 Ca 0.08 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 2djx n PRO 134 Cb 0.47 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 2djx n PRO 134 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2djx n GLY 135 N 2.87 0.58 2.70 -1.23 0.00 -1.26 -5.00 105.19 103.86 2djx n GLY 135 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2djx n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2djx s LYS 136 N -0.05 1.49 0.65 1.61 -0.14 -0.82 -5.12 119.74 117.36 2djx s LYS 136 Ca 0.00 -2.32 -0.18 0.00 -1.36 0.00 0.00 55.97 52.11 2djx s LYS 136 Cb 0.00 -2.44 -0.01 0.00 -1.68 0.00 0.00 37.83 33.71 2djx s LYS 136 CO 0.00 -1.22 1.26 -1.25 -0.76 0.00 0.00 175.35 173.37 2djx s PRO 137 N -0.10 2.54 -0.21 -1.68 0.04 -1.26 -4.61 135.00 129.73 2djx s PRO 137 Ca 0.22 1.96 -0.38 0.00 0.04 0.00 0.00 61.00 62.83 2djx s PRO 137 Cb -0.15 -1.86 -0.14 0.00 0.04 0.00 0.00 34.50 32.39 2djx s PRO 137 CO -0.07 -1.57 1.80 1.04 0.04 0.00 0.00 177.00 178.23 2djx n GLN 138 N -2.01 1.54 -0.23 4.56 3.00 -1.26 -4.86 117.38 118.11 2djx n GLN 138 Ca 0.15 0.56 0.01 0.00 -0.01 0.00 0.00 57.00 57.71 2djx n GLN 138 Cb 0.49 -2.31 0.13 0.00 0.00 0.00 0.00 30.24 28.55 2djx n GLN 138 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2djx h VAL 139 N 5.31 0.81 0.00 5.09 2.07 -1.83 -1.68 116.25 126.01 2djx h VAL 139 Ca -0.47 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2djx h VAL 139 Cb 1.30 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2djx h VAL 139 CO 0.96 0.09 0.00 0.00 0.02 0.00 0.00 177.57 178.64 2djx n ALA 140 N -2.44 2.58 1.75 1.67 0.00 -0.75 -1.58 120.51 121.74 2djx n ALA 140 Ca 0.10 -0.17 0.15 0.00 0.00 0.00 0.00 53.44 53.52 2djx n ALA 140 Cb 0.28 -1.44 0.76 0.00 0.00 0.00 0.00 19.45 19.05 2djx n ALA 140 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2djx n TYR 141 N -0.97 0.00 -3.92 0.00 4.01 -0.63 -4.58 117.16 111.07 2djx n TYR 141 Ca 0.20 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.64 2djx n TYR 141 Cb 0.09 -0.02 -0.15 0.00 -0.31 0.00 0.00 39.34 38.95 2djx n TYR 141 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2djx s ASP 142 N -2.06 4.34 0.45 7.72 -1.08 -0.62 -5.03 116.67 120.40 2djx s ASP 142 Ca 0.42 -1.76 0.22 0.00 -0.52 0.00 0.00 52.55 50.91 2djx s ASP 142 Cb 0.21 -1.30 1.06 0.00 -1.46 0.00 0.00 42.92 41.43 2djx s ASP 142 CO 0.37 -0.35 1.91 -0.26 0.52 0.00 0.00 175.17 177.36 2djx h PHE 143 N 7.83 0.00 -0.04 -5.34 0.04 -1.81 -0.66 116.94 116.97 2djx h PHE 143 Ca -0.10 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.52 2djx h PHE 143 Cb 1.03 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.19 2djx h PHE 143 CO 0.45 0.24 -0.53 1.49 -0.60 0.00 0.00 178.31 179.35 2djx h GLU 144 N 0.00 0.43 -0.88 1.51 4.57 -1.95 -2.05 114.58 116.20 2djx h GLU 144 Ca -0.00 -0.41 0.01 0.00 -1.18 0.00 0.00 59.36 57.78 2djx h GLU 144 Cb 0.58 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.23 2djx h GLU 144 CO 0.03 1.06 0.59 0.00 -1.18 0.00 0.00 179.01 179.51 2djx h ALA 145 N 0.38 1.38 -0.09 2.92 0.00 -1.79 -2.09 119.26 119.97 2djx h ALA 145 Ca -0.06 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2djx h ALA 145 Cb 1.21 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2djx h ALA 145 CO 0.11 0.57 0.00 1.98 0.00 0.00 0.00 179.25 181.91 2djx h MET 146 N 1.19 0.03 -0.91 0.00 1.85 -1.09 -1.34 114.93 114.66 2djx h MET 146 Ca 0.33 -0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.41 2djx h MET 146 Cb -0.12 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 31.86 2djx h MET 146 CO -0.08 0.02 0.54 -0.09 -0.40 0.00 0.00 176.91 176.91 2djx h ARG 147 N 0.03 1.24 0.11 0.39 2.43 -1.13 -1.73 114.38 115.72 2djx h ARG 147 Ca 0.04 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2djx h ARG 147 Cb 0.04 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 2djx h ARG 147 CO -0.07 0.87 -0.05 1.15 -1.51 0.00 0.00 179.97 180.36 2djx h THR 148 N 1.26 0.97 -0.64 0.20 2.02 -1.18 -0.82 112.91 114.73 2djx h THR 148 Ca 0.33 -0.31 0.08 0.00 0.77 0.00 0.00 66.41 67.28 2djx h THR 148 Cb -0.05 1.17 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 2djx h THR 148 CO -0.06 0.07 0.31 1.88 0.37 0.00 0.00 175.52 178.09 2djx h TYR 149 N -0.29 0.56 -0.26 3.16 -1.99 -1.09 -1.93 116.97 115.14 2djx h TYR 149 Ca -0.01 0.03 -0.16 0.00 2.00 0.00 0.00 58.73 60.58 2djx h TYR 149 Cb 0.23 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 38.80 2djx h TYR 149 CO -0.03 0.22 -0.47 -0.07 -0.00 0.00 0.00 178.16 177.81 2djx h LEU 150 N 0.56 0.75 -0.07 3.88 3.38 -1.19 -1.41 115.31 121.20 2djx h LEU 150 Ca 0.30 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2djx h LEU 150 Cb 0.28 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2djx h LEU 150 CO -0.23 1.10 0.03 1.56 0.09 0.00 0.00 178.44 180.99 2djx h GLN 151 N 0.55 0.10 -0.41 1.13 4.20 -0.98 -1.73 115.11 117.98 2djx h GLN 151 Ca 0.03 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 2djx h GLN 151 Cb 1.03 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 2djx h GLN 151 CO 0.10 0.18 0.06 1.96 -0.67 0.00 0.00 178.83 180.47 2djx h GLN 152 N -0.01 0.67 -0.35 1.46 1.08 -1.30 -2.28 115.11 114.39 2djx h GLN 152 Ca 0.02 -0.18 -0.04 0.00 -1.45 0.00 0.00 58.65 57.00 2djx h GLN 152 Cb 0.12 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2djx h GLN 152 CO -0.00 0.72 0.06 0.28 -0.95 0.00 0.00 178.83 178.93 2djx h VAL 153 N 0.52 1.24 -0.33 -0.54 2.07 -1.32 -2.29 116.25 115.61 2djx h VAL 153 Ca 0.12 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 66.87 2djx h VAL 153 Cb 0.37 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 2djx h VAL 153 CO 0.01 0.28 -0.02 0.28 0.02 0.00 0.00 177.57 178.13 2djx h SER 154 N 0.41 -0.18 -0.53 0.57 0.02 -1.23 -0.32 113.55 112.30 2djx h SER 154 Ca 0.11 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 2djx h SER 154 Cb 0.35 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 2djx h SER 154 CO 0.01 -0.05 0.26 0.25 -1.14 0.00 0.00 176.83 176.15 2djx h LEU 155 N 0.07 0.68 -0.28 5.07 5.85 -1.40 -1.04 115.31 124.26 2djx h LEU 155 Ca 0.16 -0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 2djx h LEU 155 Cb 0.22 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2djx h LEU 155 CO -0.29 0.61 -0.62 0.00 -0.34 0.00 0.00 178.44 177.80 2djx h ALA 156 N 1.10 0.68 0.00 1.25 0.00 -1.16 -3.38 119.26 117.75 2djx h ALA 156 Ca 0.18 -0.56 -0.35 0.00 0.00 0.00 0.00 54.91 54.18 2djx h ALA 156 Cb 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2djx h ALA 156 CO -0.02 0.77 -2.01 0.98 0.00 0.00 0.00 179.25 178.97 2djx n TYR 157 N -3.38 0.31 -1.08 0.00 9.36 -0.15 -4.42 117.16 117.80 2djx n TYR 157 Ca 0.01 0.13 -0.03 0.00 3.32 0.00 0.00 57.90 61.33 2djx n TYR 157 Cb 0.73 -0.98 -0.01 0.00 -0.63 0.00 0.00 39.34 38.45 2djx n TYR 157 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2djx n GLY 158 N 1.33 0.55 3.28 2.98 0.00 -0.40 -4.89 105.19 108.04 2djx n GLY 158 Ca -0.44 -0.24 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 2djx n GLY 158 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2djx s LEU 159 N -0.64 2.46 0.33 0.99 1.43 -1.26 -5.12 118.68 116.86 2djx s LEU 159 Ca 0.00 -1.06 -0.29 0.00 -1.03 0.00 0.00 54.13 51.75 2djx s LEU 159 Cb 0.00 -0.37 -0.11 0.00 0.03 0.00 0.00 46.19 45.74 2djx s LEU 159 CO 0.00 -0.35 1.55 -2.16 0.23 0.00 0.00 176.35 175.62 2djx s PRO 160 N -3.76 4.11 0.29 1.29 0.04 -1.26 -4.90 135.00 130.80 2djx s PRO 160 Ca 0.20 2.59 -0.04 0.00 0.04 0.00 0.00 61.00 63.79 2djx s PRO 160 Cb 0.03 -2.99 -0.01 0.00 0.04 0.00 0.00 34.50 31.56 2djx s PRO 160 CO 0.03 -0.60 0.39 -0.59 0.04 0.00 0.00 177.00 176.27 2djx s PHE 161 N -0.52 0.97 0.35 0.56 -0.12 -0.35 -4.56 117.98 114.31 2djx s PHE 161 Ca 0.59 -1.20 0.05 0.00 -0.05 0.00 0.00 56.93 56.31 2djx s PHE 161 Cb -0.47 -0.17 -0.07 0.00 -0.63 0.00 0.00 43.02 41.68 2djx s PHE 161 CO 0.55 -0.98 0.03 0.20 -0.05 0.00 0.00 175.22 174.98 2djx s GLY 162 N -3.18 2.18 -0.05 1.99 0.00 -0.33 -0.65 107.32 107.28 2djx s GLY 162 Ca 0.31 -2.12 0.02 0.00 0.00 0.00 0.00 44.72 42.93 2djx s GLY 162 CO 0.16 -1.90 -0.09 0.14 0.00 0.00 0.00 173.10 171.41 2djx s VAL 163 N -3.10 0.86 -0.33 1.40 1.01 -0.89 -0.78 120.40 118.56 2djx s VAL 163 Ca 0.35 -0.32 -0.20 0.00 0.00 0.00 0.00 61.98 61.81 2djx s VAL 163 Cb 0.09 -0.81 -0.00 0.00 0.00 0.00 0.00 36.38 35.65 2djx s VAL 163 CO 0.16 0.29 0.60 -0.75 0.00 0.00 0.00 175.10 175.40 2djx s LYS 164 N 0.72 3.76 0.09 2.72 2.47 -0.07 -0.65 119.74 128.78 2djx s LYS 164 Ca -0.13 0.11 -0.00 0.00 -1.56 0.00 0.00 55.97 54.39 2djx s LYS 164 Cb -0.15 -3.77 -0.04 0.00 -1.46 0.00 0.00 37.83 32.41 2djx s LYS 164 CO 0.02 -0.64 0.25 -1.64 0.16 0.00 0.00 175.35 173.50 2djx s MET 165 N 2.60 3.47 0.59 4.03 -1.94 -0.39 -2.53 119.30 125.12 2djx s MET 165 Ca 0.23 -0.41 -0.13 0.00 -1.71 0.00 0.00 55.69 53.67 2djx s MET 165 Cb -0.15 -2.99 -0.05 0.00 2.01 0.00 0.00 34.83 33.65 2djx s MET 165 CO 0.13 0.57 1.02 -1.25 -0.01 0.00 0.00 175.02 175.47 2djx s PRO 166 N -2.68 3.70 0.34 2.03 0.04 -1.26 -1.25 135.00 135.91 2djx s PRO 166 Ca 0.36 0.80 -0.28 0.00 0.04 0.00 0.00 61.00 61.92 2djx s PRO 166 Cb -0.12 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 2djx s PRO 166 CO 0.28 -0.48 1.22 -1.25 0.04 0.00 0.00 177.00 176.80 2djx s PRO 167 N -4.86 4.33 0.27 0.56 0.04 -1.26 -4.82 135.00 129.26 2djx s PRO 167 Ca 0.56 2.01 0.09 0.00 0.04 0.00 0.00 61.00 63.70 2djx s PRO 167 Cb -0.11 -2.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 2djx s PRO 167 CO 0.48 -0.13 0.08 0.71 0.04 0.00 0.00 177.00 178.17 2djx s TYR 168 N -1.22 2.83 -0.02 0.56 2.02 -1.26 -5.02 117.35 115.24 2djx s TYR 168 Ca 0.50 -0.21 0.02 0.00 -0.37 0.00 0.00 57.07 57.02 2djx s TYR 168 Cb -0.35 -1.31 0.03 0.00 -0.40 0.00 0.00 41.96 39.93 2djx s TYR 168 CO 0.46 0.55 0.81 1.19 -1.57 0.00 0.00 175.55 176.99 2djx n PHE 169 N -1.02 0.00 -3.69 2.71 3.01 -1.26 -4.88 117.46 112.33 2djx n PHE 169 Ca -0.06 -0.20 -0.14 0.00 1.01 0.00 0.00 57.45 58.05 2djx n PHE 169 Cb 0.59 -0.04 -0.14 0.00 -0.01 0.00 0.00 39.48 39.88 2djx n PHE 169 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2djx s ASP 170 N -0.81 0.26 0.27 4.37 3.68 -1.26 -5.06 116.67 118.12 2djx s ASP 170 Ca 0.04 0.46 -0.01 0.00 2.13 0.00 0.00 52.55 55.17 2djx s ASP 170 Cb 0.03 0.43 0.48 0.00 -1.45 0.00 0.00 42.92 42.41 2djx s ASP 170 CO 0.00 -0.21 1.86 0.40 0.13 0.00 0.00 175.17 177.35 2djx h ILE 171 N 6.18 1.00 -0.91 4.11 1.08 -2.00 -1.71 117.51 125.27 2djx h ILE 171 Ca -0.24 -0.37 0.03 0.00 -0.39 0.00 0.00 64.86 63.89 2djx h ILE 171 Cb 1.13 -0.17 -0.05 0.00 -3.07 0.00 0.00 36.82 34.66 2djx h ILE 171 CO 0.24 0.20 0.60 0.00 -0.69 0.00 0.00 178.15 178.49 2djx h ALA 172 N 1.49 1.42 -0.43 1.87 0.00 -1.99 -1.22 119.26 120.40 2djx h ALA 172 Ca 0.46 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.18 2djx h ALA 172 Cb 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2djx h ALA 172 CO -0.22 0.49 -0.30 0.45 0.00 0.00 0.00 179.25 179.67 2djx h HIS 173 N 1.14 1.12 -0.30 0.00 3.86 -1.76 -1.90 115.15 117.30 2djx h HIS 173 Ca 0.36 -0.31 0.05 0.00 -1.16 0.00 0.00 60.37 59.31 2djx h HIS 173 Cb 0.01 -0.25 -0.05 0.00 1.06 0.00 0.00 27.41 28.19 2djx h HIS 173 CO -0.00 1.13 0.02 0.74 0.86 0.00 0.00 177.93 180.68 2djx h PHE 174 N 0.79 0.02 -0.09 2.45 0.04 -1.01 -1.06 116.94 118.07 2djx h PHE 174 Ca 0.08 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.89 2djx h PHE 174 Cb 0.89 0.04 -0.02 0.00 2.20 0.00 0.00 35.95 39.06 2djx h PHE 174 CO 0.06 -0.03 -0.01 -0.44 -0.60 0.00 0.00 178.31 177.29 2djx h ASP 175 N 0.11 -0.05 -0.22 2.17 3.32 -1.09 -2.32 116.42 118.34 2djx h ASP 175 Ca 0.14 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 2djx h ASP 175 Cb 0.18 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2djx h ASP 175 CO -0.23 -0.01 -0.07 0.74 -1.72 0.00 0.00 179.24 177.95 2djx h THR 176 N 0.02 1.29 -0.29 0.35 2.02 -1.27 -2.77 112.91 112.27 2djx h THR 176 Ca 0.04 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.12 2djx h THR 176 Cb 0.05 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 2djx h THR 176 CO -0.08 0.33 0.13 0.00 0.37 0.00 0.00 175.52 176.28 2djx h ALA 177 N 0.73 0.37 -0.47 6.16 0.00 -1.18 -2.08 119.26 122.80 2djx h ALA 177 Ca 0.05 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2djx h ALA 177 Cb 0.54 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2djx h ALA 177 CO 0.03 -0.06 0.01 0.00 0.00 0.00 0.00 179.25 179.23 2djx h ALA 178 N 0.99 1.15 -0.50 0.00 0.00 -1.48 -2.00 119.26 117.41 2djx h ALA 178 Ca 0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2djx h ALA 178 Cb 0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2djx h ALA 178 CO -0.01 0.55 0.25 0.00 0.00 0.00 0.00 179.25 180.04 2djx h ALA 179 N 1.30 0.65 -0.24 0.00 0.00 -1.29 -1.25 119.26 118.43 2djx h ALA 179 Ca 0.14 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2djx h ALA 179 Cb 0.42 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2djx h ALA 179 CO 0.02 0.20 -0.06 0.28 0.00 0.00 0.00 179.25 179.69 2djx h VAL 180 N 0.67 0.75 -0.95 0.00 2.07 -1.11 -2.75 116.25 114.93 2djx h VAL 180 Ca 0.17 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.73 2djx h VAL 180 Cb 0.11 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 2djx h VAL 180 CO -0.02 0.00 0.62 -0.07 0.02 0.00 0.00 177.57 178.12 2djx h LEU 181 N -0.00 1.02 -0.54 2.57 3.38 -1.10 -2.01 115.31 118.63 2djx h LEU 181 Ca 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2djx h LEU 181 Cb 0.18 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2djx h LEU 181 CO -0.25 0.69 0.00 0.59 0.09 0.00 0.00 178.44 179.56 2djx n ASN 182 N -4.45 0.39 0.04 -0.43 3.02 -0.49 -1.96 115.26 111.38 2djx n ASN 182 Ca 0.13 0.62 0.10 0.00 -0.03 0.00 0.00 54.58 55.40 2djx n ASN 182 Cb 0.11 -0.69 0.43 0.00 -0.61 0.00 0.00 39.78 39.03 2djx n ASN 182 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2djx n GLU 183 N -1.95 0.07 -3.99 3.52 1.02 -0.76 -4.69 120.64 113.86 2djx n GLU 183 Ca 0.02 0.22 -0.31 0.00 -0.02 0.00 0.00 57.16 57.07 2djx n GLU 183 Cb 0.16 -1.62 -0.15 0.00 -0.02 0.00 0.00 31.44 29.82 2djx n GLU 183 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2djx s PHE 184 N -3.08 3.56 0.53 -0.32 0.08 -0.83 -4.99 117.98 112.93 2djx s PHE 184 Ca 0.09 -3.01 0.27 0.00 0.12 0.00 0.00 56.93 54.40 2djx s PHE 184 Cb 0.12 -2.86 1.62 0.00 -0.57 0.00 0.00 43.02 41.33 2djx s PHE 184 CO 0.40 -0.90 2.18 -1.00 -0.10 0.00 0.00 175.22 175.80 2djx h PRO 185 N 7.36 0.00 0.00 0.24 0.13 -1.84 -2.35 132.00 135.55 2djx h PRO 185 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2djx h PRO 185 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2djx h PRO 185 CO 0.56 0.05 0.00 -0.07 -0.23 0.00 0.00 178.00 178.30 2djx h LEU 186 N 0.00 0.00 -8.48 1.56 3.38 -1.94 -3.41 115.31 106.43 2djx h LEU 186 Ca -0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2djx h LEU 186 Cb 0.12 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 2djx h LEU 186 CO 0.01 0.00 1.06 -0.69 0.09 0.00 0.00 178.44 178.91 2djx s VAL 187 N -3.41 3.79 -0.08 1.22 1.01 -0.88 -1.21 120.40 120.84 2djx s VAL 187 Ca 0.04 0.59 0.22 0.00 0.00 0.00 0.00 61.98 62.83 2djx s VAL 187 Cb 0.09 -4.71 -0.27 0.00 0.00 0.00 0.00 36.38 31.48 2djx s VAL 187 CO 0.52 -1.52 0.54 0.29 0.00 0.00 0.00 175.10 174.93 2djx n LYS 188 N 8.96 0.65 -3.97 2.72 4.76 0.18 -4.92 118.16 126.55 2djx n LYS 188 Ca 0.07 -0.12 -0.09 0.00 -2.87 0.00 0.00 58.31 55.30 2djx n LYS 188 Cb 0.49 -1.58 -0.10 0.00 -1.84 0.00 0.00 35.03 32.00 2djx n LYS 188 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 2djx s PHE 189 N -3.39 0.25 -0.14 2.13 -0.71 -1.23 -1.73 117.98 113.17 2djx s PHE 189 Ca -0.07 -0.54 -0.00 0.00 -1.04 0.00 0.00 56.93 55.28 2djx s PHE 189 Cb 0.12 -0.19 0.03 0.00 -1.21 0.00 0.00 43.02 41.78 2djx s PHE 189 CO 0.88 -0.26 -0.08 0.08 -1.34 0.00 0.00 175.22 174.49 2djx s VAL 190 N -2.02 1.17 -0.33 -2.49 1.01 -0.45 -2.09 120.40 115.21 2djx s VAL 190 Ca -0.10 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 2djx s VAL 190 Cb -0.05 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 2djx s VAL 190 CO -0.03 0.31 0.34 -0.89 0.00 0.00 0.00 175.10 174.84 2djx s THR 191 N 1.64 5.19 -0.20 3.92 2.01 0.17 -0.94 115.64 127.43 2djx s THR 191 Ca 0.04 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.14 2djx s THR 191 Cb -0.13 -3.78 0.03 0.00 0.01 0.00 0.00 72.50 68.63 2djx s THR 191 CO -0.09 -0.03 -0.16 0.00 -0.69 0.00 0.00 174.62 173.65 2djx s VAL 193 N 1.27 0.20 1.10 0.00 -7.23 -0.01 -0.61 120.40 115.12 2djx s VAL 193 Ca 0.01 -1.84 -0.17 0.00 -1.81 0.00 0.00 61.98 58.17 2djx s VAL 193 Cb -0.15 -1.66 0.24 0.00 0.56 0.00 0.00 36.38 35.37 2djx s VAL 193 CO -0.10 -0.86 1.15 0.21 -0.31 0.00 0.00 175.10 175.18 2djx s ASN 194 N -2.96 1.86 0.66 4.85 3.84 -0.38 -4.55 114.94 118.26 2djx s ASN 194 Ca 0.12 0.70 -0.17 0.00 0.21 0.00 0.00 52.86 53.71 2djx s ASN 194 Cb 0.08 -1.02 -0.03 0.00 -0.55 0.00 0.00 41.25 39.72 2djx s ASN 194 CO -0.07 -3.55 0.83 -1.20 -2.79 0.00 0.00 177.10 170.32 2djx n SER 195 N -4.38 0.09 -4.60 -4.21 7.64 -1.26 -4.44 113.62 102.45 2djx n SER 195 Ca 0.11 0.71 -0.43 0.00 1.01 0.00 0.00 58.87 60.28 2djx n SER 195 Cb 0.59 -1.34 -0.02 0.00 -1.01 0.00 0.00 64.21 62.43 2djx n SER 195 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2djx s VAL 196 N -1.70 3.98 0.48 0.44 1.01 -0.72 -4.60 120.40 119.28 2djx s VAL 196 Ca 0.73 1.00 -0.23 0.00 0.00 0.00 0.00 61.98 63.48 2djx s VAL 196 Cb -0.38 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 31.63 2djx s VAL 196 CO 0.50 -0.81 1.22 -0.83 0.00 0.00 0.00 175.10 175.18 2djx s GLY 197 N 3.57 2.81 -1.40 4.51 0.00 -1.26 -1.17 107.32 114.38 2djx s GLY 197 Ca 0.58 1.04 -0.07 0.00 0.00 0.00 0.00 44.72 46.27 2djx s GLY 197 CO 0.32 1.51 0.88 0.70 0.00 0.00 0.00 173.10 176.52 2djx n ASN 198 N -0.63 -3.24 -4.58 1.64 3.02 -1.12 -4.89 115.26 105.47 2djx n ASN 198 Ca 0.08 -0.76 -0.29 0.00 -0.03 0.00 0.00 54.58 53.58 2djx n ASN 198 Cb 0.47 -4.15 0.15 0.00 -0.61 0.00 0.00 39.78 35.64 2djx n ASN 198 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2djx s GLY 199 N -3.83 1.62 -0.16 7.41 0.00 -0.07 -4.69 107.32 107.61 2djx s GLY 199 Ca 0.33 -0.72 -0.04 0.00 0.00 0.00 0.00 44.72 44.29 2djx s GLY 199 CO 0.81 -0.10 0.17 -2.27 0.00 0.00 0.00 173.10 171.71 2djx s LEU 200 N -6.02 -0.00 -0.18 0.66 2.96 -1.26 -1.71 118.68 113.13 2djx s LEU 200 Ca 0.66 -0.11 -0.10 0.00 -0.22 0.00 0.00 54.13 54.36 2djx s LEU 200 Cb -0.11 0.21 -0.05 0.00 0.50 0.00 0.00 46.19 46.74 2djx s LEU 200 CO 0.53 -0.30 0.15 -0.69 -1.32 0.00 0.00 176.35 174.71 2djx s VAL 201 N 2.28 5.42 -0.06 1.68 1.01 -1.26 -5.10 120.40 124.35 2djx s VAL 201 Ca 0.05 0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.30 2djx s VAL 201 Cb -0.14 -3.47 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 2djx s VAL 201 CO -0.09 0.47 -0.21 -0.63 0.00 0.00 0.00 175.10 174.64 2djx s ILE 202 N 0.11 1.77 -0.24 2.22 1.01 -1.26 -3.13 121.20 121.68 2djx s ILE 202 Ca 0.10 -0.89 -0.25 0.00 0.00 0.00 0.00 60.65 59.61 2djx s ILE 202 Cb -0.11 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 2djx s ILE 202 CO -0.00 0.50 0.83 -0.62 0.00 0.00 0.00 174.94 175.64 2djx s ASP 203 N 0.10 6.84 0.22 3.58 -1.08 -0.20 -4.98 116.67 121.15 2djx s ASP 203 Ca -0.08 1.04 -0.07 0.00 -0.52 0.00 0.00 52.55 52.92 2djx s ASP 203 Cb -0.14 -2.44 0.18 0.00 -1.46 0.00 0.00 42.92 39.06 2djx s ASP 203 CO 0.04 -0.51 1.77 0.00 0.52 0.00 0.00 175.17 177.00 2djx h ALA 204 N 7.66 1.04 -0.10 3.66 0.00 -1.97 -0.02 119.26 129.54 2djx h ALA 204 Ca -0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2djx h ALA 204 Cb 1.09 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2djx h ALA 204 CO 0.87 0.66 -0.00 1.49 0.00 0.00 0.00 179.25 182.27 2djx h GLU 205 N 1.12 0.18 0.00 0.00 4.22 -1.97 -3.25 114.58 114.87 2djx h GLU 205 Ca 0.25 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.63 2djx h GLU 205 Cb 0.26 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2djx h GLU 205 CO -0.01 0.44 -0.49 -1.13 -2.18 0.00 0.00 179.01 175.64 2djx n SER 206 N -4.81 0.69 -2.30 1.04 3.41 -1.22 -4.95 113.62 105.48 2djx n SER 206 Ca -0.06 0.19 -0.20 0.00 -0.26 0.00 0.00 58.87 58.54 2djx n SER 206 Cb 0.20 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.12 2djx n SER 206 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2djx n GLU 207 N -2.08 -1.95 -4.45 4.33 1.02 -0.03 -4.99 120.64 112.48 2djx n GLU 207 Ca 0.04 0.93 -0.24 0.00 -0.02 0.00 0.00 57.16 57.87 2djx n GLU 207 Cb 0.43 -5.53 -0.13 0.00 -0.02 0.00 0.00 31.44 26.18 2djx n GLU 207 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2djx s SER 208 N -2.20 2.46 0.90 1.62 0.15 -1.19 -4.94 113.70 110.50 2djx s SER 208 Ca 0.04 -0.60 -0.10 0.00 0.70 0.00 0.00 55.95 55.98 2djx s SER 208 Cb -0.02 -0.17 0.14 0.00 -1.71 0.00 0.00 66.02 64.26 2djx s SER 208 CO 0.05 0.10 1.15 0.68 1.20 0.00 0.00 173.24 176.42 2djx s VAL 209 N -0.98 2.09 -0.36 4.45 -7.23 -1.26 -1.03 120.40 116.08 2djx s VAL 209 Ca 0.07 0.03 0.18 0.00 -1.81 0.00 0.00 61.98 60.44 2djx s VAL 209 Cb -0.09 -2.10 -0.24 0.00 0.56 0.00 0.00 36.38 34.51 2djx s VAL 209 CO 0.03 -0.04 0.53 1.33 -0.31 0.00 0.00 175.10 176.65 2djx n VAL 210 N -4.12 0.00 -4.37 1.32 0.24 -1.18 -4.81 118.33 105.39 2djx n VAL 210 Ca 0.12 -0.27 -0.29 0.00 -2.04 0.00 0.00 64.34 61.86 2djx n VAL 210 Cb 0.52 0.48 -0.12 0.00 -1.47 0.00 0.00 33.84 33.25 2djx n VAL 210 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2djx s ILE 211 N -2.97 2.41 -0.07 1.34 -4.36 -1.26 -4.87 121.20 111.42 2djx s ILE 211 Ca -0.01 -1.74 -0.24 0.00 -0.26 0.00 0.00 60.65 58.39 2djx s ILE 211 Cb 0.12 -2.09 -0.28 0.00 1.25 0.00 0.00 42.46 41.46 2djx s ILE 211 CO 0.72 0.06 0.89 0.50 0.24 0.00 0.00 174.94 177.35 2djx h LYS 212 N 3.73 0.19 -7.20 0.37 3.64 -1.16 -3.31 116.57 112.83 2djx h LYS 212 Ca -0.50 -0.29 -0.53 0.00 -1.27 0.00 0.00 60.65 58.06 2djx h LYS 212 Cb 1.18 0.10 0.16 0.00 -0.41 0.00 0.00 32.23 33.25 2djx h LYS 212 CO 0.42 1.11 0.37 -2.14 -2.27 0.00 0.00 179.45 176.94 2djx s PRO 213 N -2.52 2.08 -1.58 1.90 0.02 -1.26 -3.92 135.00 129.71 2djx s PRO 213 Ca -0.16 1.68 -0.13 0.00 0.02 0.00 0.00 61.00 62.41 2djx s PRO 213 Cb -0.00 -1.83 0.10 0.00 0.02 0.00 0.00 34.50 32.78 2djx s PRO 213 CO 0.77 -1.87 0.82 1.63 -0.33 0.00 0.00 177.00 178.03 2djx n LYS 214 N -2.90 -4.25 -2.11 5.54 5.02 -1.26 -1.48 118.16 116.73 2djx n LYS 214 Ca 0.13 0.48 -0.15 0.00 -2.02 0.00 0.00 58.31 56.74 2djx n LYS 214 Cb 0.51 -5.19 -0.03 0.00 -0.02 0.00 0.00 35.03 30.30 2djx n LYS 214 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2djx n GLN 215 N -4.51 -1.80 -0.01 1.97 6.02 -1.25 -1.96 117.38 115.84 2djx n GLN 215 Ca -0.01 0.80 0.00 0.00 -0.01 0.00 0.00 57.00 57.79 2djx n GLN 215 Cb 0.54 -5.32 0.00 0.00 1.02 0.00 0.00 30.24 26.48 2djx n GLN 215 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2djx n GLY 216 N -0.69 0.20 3.71 1.08 0.00 -0.55 -4.98 105.19 103.96 2djx n GLY 216 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2djx n GLY 216 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2djx s PHE 217 N -2.03 3.64 0.27 1.61 0.40 -0.83 -4.48 117.98 116.57 2djx s PHE 217 Ca 0.00 1.68 -0.19 0.00 -0.60 0.00 0.00 56.93 57.82 2djx s PHE 217 Cb 0.00 -3.13 0.01 0.00 0.51 0.00 0.00 43.02 40.41 2djx s PHE 217 CO 0.00 -0.05 0.66 0.20 0.70 0.00 0.00 175.22 176.73 2djx s GLY 218 N 1.02 0.06 0.24 4.36 0.00 -0.69 -4.73 107.32 107.58 2djx s GLY 218 Ca 0.52 -0.45 -0.30 0.00 0.00 0.00 0.00 44.72 44.49 2djx s GLY 218 CO 0.27 -0.22 0.93 -0.32 0.00 0.00 0.00 173.10 173.75 2djx s GLY 219 N -2.94 3.10 -0.13 0.20 0.00 -0.12 -0.89 107.32 106.55 2djx s GLY 219 Ca 0.14 0.60 -0.08 0.00 0.00 0.00 0.00 44.72 45.37 2djx s GLY 219 CO 0.07 1.16 0.17 1.08 0.00 0.00 0.00 173.10 175.58 2djx s LEU 220 N -1.19 4.36 0.27 0.66 1.43 -0.32 -1.64 118.68 122.24 2djx s LEU 220 Ca 0.41 0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.99 2djx s LEU 220 Cb -0.26 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 2djx s LEU 220 CO 0.31 0.35 0.14 -0.83 0.23 0.00 0.00 176.35 176.55 2djx s GLY 221 N -0.73 1.82 0.00 -3.19 0.00 -0.71 -1.76 107.32 102.75 2djx s GLY 221 Ca 0.15 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.07 2djx s GLY 221 CO 0.04 -1.54 0.00 0.61 0.00 0.00 0.00 173.10 172.21 2djx n GLY 222 N -0.47 0.08 0.37 0.20 0.00 -1.26 -1.38 105.19 102.72 2djx n GLY 222 Ca 0.01 -1.55 0.11 0.00 0.00 0.00 0.00 46.02 44.59 2djx n GLY 222 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2djx h LYS 223 N 0.00 0.64 -0.99 1.61 1.79 -1.55 -2.03 116.57 116.04 2djx h LYS 223 Ca 0.00 -0.04 0.25 0.00 -2.18 0.00 0.00 60.65 58.68 2djx h LYS 223 Cb 0.00 -0.14 -0.08 0.00 -1.58 0.00 0.00 32.23 30.43 2djx h LYS 223 CO 0.00 0.42 0.66 1.88 -1.08 0.00 0.00 179.45 181.33 2djx h TYR 224 N 0.66 0.51 -0.09 -1.35 0.05 -1.54 -3.25 116.97 111.96 2djx h TYR 224 Ca 0.38 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.18 2djx h TYR 224 Cb 0.57 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.16 2djx h TYR 224 CO -0.00 0.09 0.00 0.44 -1.05 0.00 0.00 178.16 177.63 2djx n ILE 225 N -4.52 0.23 0.12 -2.88 -5.35 -0.76 -4.78 119.36 101.42 2djx n ILE 225 Ca 0.23 -0.61 -0.13 0.00 -0.27 0.00 0.00 62.75 61.96 2djx n ILE 225 Cb 0.84 1.07 -0.06 0.00 -1.74 0.00 0.00 39.64 39.76 2djx n ILE 225 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 2djx h LEU 226 N 2.24 -0.44 -1.58 7.28 5.85 -1.65 -0.20 115.31 126.81 2djx h LEU 226 Ca 0.00 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.78 2djx h LEU 226 Cb 0.54 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2djx h LEU 226 CO 0.00 -0.24 0.30 -0.65 -0.34 0.00 0.00 178.44 177.50 2djx h PRO 227 N -0.34 0.55 -0.32 5.25 0.11 -1.87 -0.52 132.00 134.86 2djx h PRO 227 Ca 0.01 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 2djx h PRO 227 Cb 0.34 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 2djx h PRO 227 CO -0.06 0.36 0.15 1.15 -0.21 0.00 0.00 178.00 179.39 2djx h THR 228 N 0.57 1.16 -0.28 -1.15 2.02 -1.78 -2.17 112.91 111.27 2djx h THR 228 Ca 0.17 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 2djx h THR 228 Cb -0.01 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2djx h THR 228 CO -0.04 0.17 0.11 0.00 0.37 0.00 0.00 175.52 176.13 2djx h ALA 229 N 1.00 0.37 -0.88 6.16 0.00 -0.46 -2.32 119.26 123.13 2djx h ALA 229 Ca 0.11 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2djx h ALA 229 Cb 0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2djx h ALA 229 CO -0.01 -0.03 0.58 -0.07 0.00 0.00 0.00 179.25 179.71 2djx h LEU 230 N 0.30 0.99 -0.27 0.00 3.38 -1.13 -0.70 115.31 117.88 2djx h LEU 230 Ca 0.09 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.07 2djx h LEU 230 Cb 0.19 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2djx h LEU 230 CO -0.01 0.70 0.12 0.00 0.09 0.00 0.00 178.44 179.35 2djx h ALA 231 N 1.33 0.32 -0.37 1.53 0.00 -1.21 -1.26 119.26 119.62 2djx h ALA 231 Ca 0.33 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 2djx h ALA 231 Cb -0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2djx h ALA 231 CO -0.08 -0.28 -0.07 -0.91 0.00 0.00 0.00 179.25 177.91 2djx h ASN 232 N 0.26 0.70 -0.13 0.00 2.35 -1.11 -0.32 115.58 117.33 2djx h ASN 232 Ca 0.12 -0.35 0.04 0.00 -0.55 0.00 0.00 56.30 55.55 2djx h ASN 232 Cb 0.06 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.19 2djx h ASN 232 CO -0.10 0.89 -0.15 0.58 -1.65 0.00 0.00 177.43 177.00 2djx h VAL 233 N 0.49 0.60 -0.59 2.81 2.07 -1.00 -1.98 116.25 118.65 2djx h VAL 233 Ca 0.09 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.52 2djx h VAL 233 Cb 0.57 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2djx h VAL 233 CO 0.03 0.00 0.01 -1.13 0.02 0.00 0.00 177.57 176.50 2djx h ASN 234 N -0.18 0.99 -0.52 0.57 -1.24 -1.16 -0.84 115.58 113.18 2djx h ASN 234 Ca 0.09 -0.27 0.01 0.00 0.71 0.00 0.00 56.30 56.84 2djx h ASN 234 Cb 0.32 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 2djx h ASN 234 CO -0.24 1.03 0.34 0.00 -1.29 0.00 0.00 177.43 177.28 2djx h ALA 235 N 1.07 0.66 0.00 1.57 0.00 -0.80 -1.38 119.26 120.38 2djx h ALA 235 Ca 0.17 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 2djx h ALA 235 Cb 0.53 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2djx h ALA 235 CO 0.03 0.09 -0.82 0.74 0.00 0.00 0.00 179.25 179.29 2djx h PHE 236 N 0.70 0.00 -0.64 0.00 0.04 -1.33 -2.39 116.94 113.32 2djx h PHE 236 Ca 0.19 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.94 2djx h PHE 236 Cb -0.07 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 2djx h PHE 236 CO -0.04 0.82 0.31 -0.92 -0.60 0.00 0.00 178.31 177.88 2djx h TYR 237 N 0.00 0.92 -0.32 -0.55 3.20 -0.97 -0.39 116.97 118.86 2djx h TYR 237 Ca -0.01 -0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.71 2djx h TYR 237 Cb 1.48 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 2djx h TYR 237 CO 0.00 0.69 -0.21 0.00 -1.64 0.00 0.00 178.16 177.00 2djx h ARG 238 N 0.88 0.71 0.00 1.82 3.08 -1.27 -3.33 114.38 116.28 2djx h ARG 238 Ca 0.22 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2djx h ARG 238 Cb 0.12 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2djx h ARG 238 CO -0.03 0.95 -0.42 0.00 -1.07 0.00 0.00 179.97 179.40 2djx h ARG 239 N 0.48 0.00 -2.25 0.04 3.08 -1.35 -3.38 114.38 111.00 2djx h ARG 239 Ca 0.06 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.52 2djx h ARG 239 Cb 0.76 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.39 2djx h ARG 239 CO 0.06 0.00 -0.63 0.00 -1.07 0.00 0.00 179.97 178.33 2djx h PRO 241 N 3.42 0.00 -0.39 0.00 0.13 -1.75 -1.95 132.00 131.47 2djx h PRO 241 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2djx h PRO 241 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2djx h PRO 241 CO 0.82 0.01 0.00 -0.25 -0.23 0.00 0.00 178.00 178.35 2djx n ASP 242 N -3.18 2.75 -4.59 1.44 8.00 -1.26 -4.93 116.55 114.78 2djx n ASP 242 Ca -0.02 -1.92 -0.27 0.00 0.71 0.00 0.00 54.79 53.29 2djx n ASP 242 Cb 0.13 -0.25 -0.11 0.00 -0.02 0.00 0.00 41.12 40.87 2djx n ASP 242 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2djx s LYS 243 N -1.49 1.90 0.22 -1.24 1.02 -0.73 -5.04 119.74 114.38 2djx s LYS 243 Ca 0.36 -2.01 -0.06 0.00 0.02 0.00 0.00 55.97 54.28 2djx s LYS 243 Cb 0.20 -1.69 -0.06 0.00 -0.52 0.00 0.00 37.83 35.76 2djx s LYS 243 CO 0.28 0.05 0.49 -0.51 -0.92 0.00 0.00 175.35 174.73 2djx s LEU 244 N -3.67 4.16 -0.09 3.17 1.43 -0.70 -5.00 118.68 117.98 2djx s LEU 244 Ca 0.34 0.70 0.04 0.00 -1.03 0.00 0.00 54.13 54.18 2djx s LEU 244 Cb 0.06 -3.47 -0.00 0.00 0.03 0.00 0.00 46.19 42.80 2djx s LEU 244 CO 0.17 -0.08 -0.23 -0.69 0.23 0.00 0.00 176.35 175.76 2djx s VAL 245 N -1.87 2.18 -0.15 -1.59 1.01 -1.26 -1.34 120.40 117.38 2djx s VAL 245 Ca 0.43 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 2djx s VAL 245 Cb -0.11 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2djx s VAL 245 CO 0.26 0.56 0.07 -0.36 0.00 0.00 0.00 175.10 175.63 2djx s PHE 246 N 0.23 3.33 -0.04 5.22 2.99 -0.11 -0.45 117.98 129.15 2djx s PHE 246 Ca -0.15 0.23 -0.13 0.00 0.00 0.00 0.00 56.93 56.88 2djx s PHE 246 Cb -0.17 -2.00 -0.05 0.00 0.00 0.00 0.00 43.02 40.80 2djx s PHE 246 CO 0.08 0.37 0.35 0.20 -0.00 0.00 0.00 175.22 176.21 2djx s GLY 247 N -0.21 2.39 -0.14 4.36 0.00 -0.32 -1.37 107.32 112.03 2djx s GLY 247 Ca 0.08 -0.32 -0.08 0.00 0.00 0.00 0.00 44.72 44.41 2djx s GLY 247 CO 0.01 0.10 0.33 0.00 0.00 0.00 0.00 173.10 173.55 2djx n GLY 249 N 4.19 3.33 2.17 0.00 0.00 -1.26 -0.83 105.19 112.78 2djx n GLY 249 Ca -0.24 -0.59 -0.06 0.00 0.00 0.00 0.00 46.02 45.14 2djx n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2djx n GLY 250 N 0.00 0.81 3.59 -0.02 0.00 -1.25 -4.54 105.19 103.79 2djx n GLY 250 Ca 0.00 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 2djx n GLY 250 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2djx s VAL 251 N -2.20 4.70 -0.00 1.61 1.01 -1.26 -4.78 120.40 119.47 2djx s VAL 251 Ca 0.00 0.98 0.01 0.00 0.00 0.00 0.00 61.98 62.97 2djx s VAL 251 Cb 0.00 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 2djx s VAL 251 CO 0.00 -0.45 0.01 -1.22 0.00 0.00 0.00 175.10 173.44 2djx n TYR 252 N 6.49 0.00 -4.22 5.22 4.02 -1.26 -4.53 117.16 122.89 2djx n TYR 252 Ca 0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.80 2djx n TYR 252 Cb 0.48 -0.02 -0.10 0.00 -0.02 0.00 0.00 39.34 39.68 2djx n TYR 252 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2djx s SER 253 N -2.31 1.13 0.41 7.72 1.04 -1.26 -4.97 113.70 115.47 2djx s SER 253 Ca -0.00 -1.15 0.12 0.00 0.48 0.00 0.00 55.95 55.40 2djx s SER 253 Cb 0.00 0.13 0.96 0.00 0.10 0.00 0.00 66.02 67.21 2djx s SER 253 CO 0.03 -0.56 1.96 1.23 0.98 0.00 0.00 173.24 176.88 2djx h GLY 254 N 2.76 0.70 0.96 7.32 0.00 -1.86 -2.19 103.07 110.75 2djx h GLY 254 Ca -0.36 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 46.73 2djx h GLY 254 CO 0.63 0.12 0.17 -2.09 0.00 0.00 0.00 176.54 175.36 2djx h GLU 255 N 0.49 0.69 -0.85 4.80 4.81 -1.93 0.08 114.58 122.67 2djx h GLU 255 Ca 0.30 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2djx h GLU 255 Cb 0.53 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 2djx h GLU 255 CO -0.09 0.64 0.52 -0.44 -0.73 0.00 0.00 179.01 178.91 2djx h ASP 256 N 0.59 1.00 -0.46 1.04 3.32 -1.80 -1.21 116.42 118.90 2djx h ASP 256 Ca 0.15 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 2djx h ASP 256 Cb 0.22 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2djx h ASP 256 CO -0.01 0.76 0.03 0.00 -1.72 0.00 0.00 179.24 178.31 2djx h ALA 257 N 1.41 0.62 -0.68 3.45 0.00 -1.15 -2.13 119.26 120.78 2djx h ALA 257 Ca 0.31 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.04 2djx h ALA 257 Cb -0.07 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.49 2djx h ALA 257 CO -0.06 0.39 0.35 0.35 0.00 0.00 0.00 179.25 180.28 2djx h PHE 258 N 0.65 0.64 -0.44 0.00 3.57 -0.46 -1.06 116.94 119.83 2djx h PHE 258 Ca 0.14 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2djx h PHE 258 Cb 0.45 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 2djx h PHE 258 CO 0.03 0.27 0.25 -0.07 -2.23 0.00 0.00 178.31 176.56 2djx h LEU 259 N 0.63 0.55 -0.64 0.59 3.38 -1.04 -0.00 115.31 118.78 2djx h LEU 259 Ca 0.32 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.25 2djx h LEU 259 Cb 0.28 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 2djx h LEU 259 CO -0.23 0.48 0.36 0.45 0.09 0.00 0.00 178.44 179.60 2djx h HIS 260 N 0.58 0.67 -0.22 1.13 3.86 -0.95 -1.24 115.15 118.98 2djx h HIS 260 Ca 0.16 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.35 2djx h HIS 260 Cb 0.05 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 2djx h HIS 260 CO -0.02 0.33 -0.02 0.82 0.86 0.00 0.00 177.93 179.90 2djx h ILE 261 N 0.68 1.27 -0.84 2.45 2.04 -0.97 -1.16 117.51 120.98 2djx h ILE 261 Ca 0.28 -0.95 0.15 0.00 1.00 0.00 0.00 64.86 65.34 2djx h ILE 261 Cb 0.15 1.45 -0.09 0.00 -0.74 0.00 0.00 36.82 37.59 2djx h ILE 261 CO -0.16 0.29 0.43 -0.07 0.00 0.00 0.00 178.15 178.64 2djx h LEU 262 N 0.15 0.51 -2.12 1.44 3.38 -0.84 -0.58 115.31 117.24 2djx h LEU 262 Ca 0.06 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2djx h LEU 262 Cb 0.45 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2djx h LEU 262 CO 0.02 0.21 -0.05 0.00 0.09 0.00 0.00 178.44 178.71 2djx h ALA 263 N 1.56 1.11 0.00 1.53 0.00 -0.93 -2.44 119.26 120.10 2djx h ALA 263 Ca 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2djx h ALA 263 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2djx h ALA 263 CO -0.37 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.35 2djx n GLY 264 N -0.60 -0.18 3.76 0.00 0.00 -0.33 -3.81 105.19 104.04 2djx n GLY 264 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2djx n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2djx s ALA 265 N -0.62 3.60 0.00 4.61 0.00 -0.49 -4.55 121.76 124.31 2djx s ALA 265 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.35 2djx s ALA 265 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2djx s ALA 265 CO 0.00 -0.80 0.00 0.43 0.00 0.00 0.00 175.76 175.39 2djx n SER 266 N 1.56 0.00 -4.87 0.00 7.64 0.40 -4.54 113.62 113.81 2djx n SER 266 Ca 0.04 0.11 -0.31 0.00 1.01 0.00 0.00 58.87 59.73 2djx n SER 266 Cb 0.40 -0.20 -0.03 0.00 -1.01 0.00 0.00 64.21 63.37 2djx n SER 266 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2djx s MET 267 N -0.41 3.80 -0.14 1.43 -1.94 -1.26 -4.82 119.30 115.95 2djx s MET 267 Ca 0.00 0.63 0.00 0.00 -1.71 0.00 0.00 55.69 54.61 2djx s MET 267 Cb 0.00 -2.28 0.03 0.00 2.01 0.00 0.00 34.83 34.59 2djx s MET 267 CO 0.00 -0.18 -0.10 0.08 -0.01 0.00 0.00 175.02 174.81 2djx s VAL 268 N -2.56 1.34 0.04 -6.03 1.01 0.26 -1.17 120.40 113.28 2djx s VAL 268 Ca 0.54 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 2djx s VAL 268 Cb -0.10 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 2djx s VAL 268 CO 0.35 0.35 0.18 -1.10 0.00 0.00 0.00 175.10 174.88 2djx s GLN 269 N 1.57 3.37 -0.16 2.72 -0.21 0.48 -2.07 119.66 125.37 2djx s GLN 269 Ca 0.04 -0.43 -0.00 0.00 0.02 0.00 0.00 55.36 54.99 2djx s GLN 269 Cb -0.13 -3.02 0.04 0.00 1.00 0.00 0.00 33.01 30.89 2djx s GLN 269 CO -0.09 0.63 -0.06 0.08 -2.12 0.00 0.00 175.29 173.72 2djx s VAL 270 N -1.42 1.17 0.00 1.09 1.01 -0.59 -4.29 120.40 117.36 2djx s VAL 270 Ca 0.31 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.66 2djx s VAL 270 Cb -0.13 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.94 2djx s VAL 270 CO 0.24 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.12 2djx n GLY 271 N 4.86 0.07 0.26 4.51 0.00 -1.26 -1.32 105.19 112.31 2djx n GLY 271 Ca -0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.91 2djx n GLY 271 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2djx h THR 272 N 0.00 0.34 -0.75 2.61 2.02 -1.95 -0.79 112.91 114.39 2djx h THR 272 Ca 0.00 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 2djx h THR 272 Cb 0.00 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 66.67 2djx h THR 272 CO 0.00 0.01 0.41 0.00 0.37 0.00 0.00 175.52 176.31 2djx h ALA 273 N 1.68 1.31 -0.44 6.16 0.00 -1.90 -1.28 119.26 124.79 2djx h ALA 273 Ca 0.35 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 2djx h ALA 273 Cb 0.57 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2djx h ALA 273 CO -0.68 0.56 -0.10 1.25 0.00 0.00 0.00 179.25 180.28 2djx h LEU 274 N 1.05 0.85 -1.02 0.00 5.85 -1.49 -0.97 115.31 119.58 2djx h LEU 274 Ca 0.27 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.69 2djx h LEU 274 Cb 0.03 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 40.76 2djx h LEU 274 CO -0.04 1.01 0.65 -0.61 -0.34 0.00 0.00 178.44 179.11 2djx h GLN 275 N 0.68 1.14 0.19 1.25 5.75 -0.61 -0.05 115.11 123.45 2djx h GLN 275 Ca 0.11 -0.07 -0.31 0.00 -0.15 0.00 0.00 58.65 58.24 2djx h GLN 275 Cb 0.64 -0.26 0.02 0.00 1.07 0.00 0.00 27.48 28.95 2djx h GLN 275 CO 0.04 0.75 -1.46 0.93 -2.65 0.00 0.00 178.83 176.44 2djx h GLU 276 N 1.17 0.40 0.00 1.69 4.39 -1.21 -3.39 114.58 117.62 2djx h GLU 276 Ca 0.43 -0.68 -0.25 0.00 0.34 0.00 0.00 59.36 59.21 2djx h GLU 276 Cb 0.17 0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 29.03 2djx h GLU 276 CO -0.17 1.32 -1.71 -1.91 -1.16 0.00 0.00 179.01 175.38 2djx n GLU 277 N -3.78 0.64 0.00 2.33 2.13 -0.37 -5.11 120.64 116.47 2djx n GLU 277 Ca -0.21 0.21 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2djx n GLU 277 Cb 1.01 -1.75 0.00 0.00 0.27 0.00 0.00 31.44 30.97 2djx n GLU 277 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2djx n GLY 278 N 1.51 -0.66 0.00 8.31 0.00 -0.04 -4.64 105.19 109.67 2djx n GLY 278 Ca -0.16 -1.71 0.05 0.00 0.00 0.00 0.00 46.02 44.20 2djx n GLY 278 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2djx n PRO 279 N -0.72 0.02 0.31 1.61 -0.04 -1.26 -1.95 135.00 132.96 2djx n PRO 279 Ca 0.00 0.29 0.19 0.00 -0.04 0.00 0.00 63.50 63.95 2djx n PRO 279 Cb 0.00 -1.50 1.05 0.00 -0.04 0.00 0.00 33.50 33.01 2djx n PRO 279 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2djx h GLY 280 N 1.94 0.00 0.59 0.55 0.00 -1.97 -2.86 103.07 101.32 2djx h GLY 280 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.51 2djx h GLY 280 CO 0.00 0.00 0.51 1.19 0.00 0.00 0.00 176.54 178.24 2djx h ILE 281 N 0.00 0.70 -0.33 2.60 2.10 -1.68 -2.81 117.51 118.09 2djx h ILE 281 Ca 0.01 -0.07 -0.09 0.00 1.08 0.00 0.00 64.86 65.80 2djx h ILE 281 Cb 0.14 0.49 -0.02 0.00 -1.09 0.00 0.00 36.82 36.34 2djx h ILE 281 CO -0.00 0.04 -0.16 -0.26 -1.08 0.00 0.00 178.15 176.68 2djx h PHE 282 N 0.20 0.65 -0.38 2.19 0.04 -1.78 -0.41 116.94 117.45 2djx h PHE 282 Ca 0.36 -0.12 -0.12 0.00 2.80 0.00 0.00 57.97 60.89 2djx h PHE 282 Cb 1.14 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 39.11 2djx h PHE 282 CO -0.00 0.72 -0.25 1.79 -0.60 0.00 0.00 178.31 179.97 2djx h THR 283 N 0.53 1.27 -0.37 -1.55 1.35 -1.73 -2.46 112.91 109.96 2djx h THR 283 Ca 0.09 -1.38 -0.05 0.00 -0.55 0.00 0.00 66.41 64.53 2djx h THR 283 Cb 0.59 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 2djx h THR 283 CO 0.04 0.46 0.05 -0.09 -0.25 0.00 0.00 175.52 175.73 2djx h ARG 284 N 0.67 0.61 -0.68 4.72 2.43 -1.49 -2.00 114.38 118.65 2djx h ARG 284 Ca 0.09 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 2djx h ARG 284 Cb 0.77 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 2djx h ARG 284 CO 0.06 0.69 0.31 -0.07 -1.51 0.00 0.00 179.97 179.45 2djx h LEU 285 N 0.45 0.91 -0.00 3.80 3.38 -1.05 -1.15 115.31 121.65 2djx h LEU 285 Ca 0.11 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2djx h LEU 285 Cb 0.38 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2djx h LEU 285 CO 0.01 0.80 0.00 -0.33 0.09 0.00 0.00 178.44 179.01 2djx h GLU 286 N 0.95 0.01 -0.39 1.13 5.08 -1.38 -1.57 114.58 118.41 2djx h GLU 286 Ca 0.23 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.62 2djx h GLU 286 Cb 0.15 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2djx h GLU 286 CO -0.03 0.02 0.18 -0.44 -1.00 0.00 0.00 179.01 177.75 2djx h ASP 287 N -0.01 0.26 -0.43 1.42 3.32 -1.22 -1.86 116.42 117.91 2djx h ASP 287 Ca 0.00 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 2djx h ASP 287 Cb 0.01 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2djx h ASP 287 CO -0.00 0.19 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.30 2djx h GLU 288 N 0.38 0.88 -0.31 3.56 5.08 -1.15 -2.23 114.58 120.78 2djx h GLU 288 Ca 0.17 -0.29 -0.13 0.00 -1.00 0.00 0.00 59.36 58.11 2djx h GLU 288 Cb 0.09 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2djx h GLU 288 CO -0.13 0.93 -0.30 1.25 -1.00 0.00 0.00 179.01 179.76 2djx h LEU 289 N 0.79 0.81 -1.16 1.33 5.85 -1.12 -2.71 115.31 119.10 2djx h LEU 289 Ca 0.13 -0.47 0.02 0.00 0.84 0.00 0.00 57.88 58.41 2djx h LEU 289 Cb 0.59 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 2djx h LEU 289 CO 0.04 1.10 0.57 -0.07 -0.34 0.00 0.00 178.44 179.74 2djx h LEU 290 N 0.52 0.96 -0.12 2.25 3.38 -1.29 -1.65 115.31 119.36 2djx h LEU 290 Ca 0.05 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2djx h LEU 290 Cb 0.87 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2djx h LEU 290 CO 0.07 0.68 0.07 -0.08 0.09 0.00 0.00 178.44 179.28 2djx h GLU 291 N 1.13 0.17 -0.48 1.13 4.22 -1.30 -0.21 114.58 119.24 2djx h GLU 291 Ca 0.33 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.75 2djx h GLU 291 Cb -0.06 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2djx h GLU 291 CO -0.09 0.16 0.30 0.82 -2.18 0.00 0.00 179.01 178.02 2djx h ILE 292 N 0.12 1.14 -0.39 2.32 2.04 -1.26 -2.02 117.51 119.46 2djx h ILE 292 Ca 0.04 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2djx h ILE 292 Cb 0.04 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 2djx h ILE 292 CO -0.01 0.14 0.26 0.24 0.00 0.00 0.00 178.15 178.78 2djx h MET 293 N 0.64 0.51 -0.27 2.37 2.86 -1.14 -2.09 114.93 117.81 2djx h MET 293 Ca 0.17 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.82 2djx h MET 293 Cb -0.03 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.48 2djx h MET 293 CO -0.03 0.34 0.02 0.00 1.06 0.00 0.00 176.91 178.30 2djx h ALA 294 N 1.14 0.25 -0.59 6.32 0.00 -0.80 -0.32 119.26 125.27 2djx h ALA 294 Ca 0.14 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2djx h ALA 294 Cb -0.06 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2djx h ALA 294 CO -0.03 -0.40 0.31 -0.09 0.00 0.00 0.00 179.25 179.04 2djx h ARG 295 N 0.10 0.81 -0.01 0.00 2.43 -1.19 -2.47 114.38 114.05 2djx h ARG 295 Ca 0.13 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2djx h ARG 295 Cb 0.16 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2djx h ARG 295 CO -0.20 0.60 -0.28 1.63 -1.51 0.00 0.00 179.97 180.20 2djx n LYS 296 N -4.39 0.61 -1.44 0.20 5.02 -0.80 -4.96 118.16 112.41 2djx n LYS 296 Ca 0.05 -0.34 -0.05 0.00 -2.02 0.00 0.00 58.31 55.95 2djx n LYS 296 Cb 0.10 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.60 2djx n LYS 296 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2djx n GLY 297 N 1.37 0.60 3.73 0.72 0.00 -0.26 -5.04 105.19 106.30 2djx n GLY 297 Ca 0.11 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 2djx n GLY 297 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2djx s TYR 298 N -2.22 3.58 -0.18 1.61 2.02 -0.44 -4.99 117.35 116.74 2djx s TYR 298 Ca 0.00 1.15 0.17 0.00 -0.37 0.00 0.00 57.07 58.02 2djx s TYR 298 Cb 0.00 -2.70 -0.25 0.00 -0.40 0.00 0.00 41.96 38.61 2djx s TYR 298 CO 0.00 0.16 0.16 -2.13 -1.57 0.00 0.00 175.55 172.17 2djx n ARG 299 N 3.54 0.68 -4.17 -0.62 3.00 -1.26 -4.38 116.66 113.46 2djx n ARG 299 Ca -0.04 0.02 -0.10 0.00 -0.00 0.00 0.00 57.85 57.73 2djx n ARG 299 Cb 0.51 -1.55 -0.10 0.00 0.00 0.00 0.00 32.46 31.32 2djx n ARG 299 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2djx s THR 300 N -2.54 0.22 0.36 5.15 -4.23 -1.26 -2.42 115.64 110.92 2djx s THR 300 Ca -0.09 -1.92 0.08 0.00 -1.18 0.00 0.00 61.69 58.58 2djx s THR 300 Cb 0.06 -2.04 0.13 0.00 1.34 0.00 0.00 72.50 71.99 2djx s THR 300 CO 0.83 -0.48 1.86 -0.07 -0.54 0.00 0.00 174.62 176.22 2djx h LEU 301 N 2.84 0.27 -2.29 4.79 3.38 -1.88 -2.89 115.31 119.53 2djx h LEU 301 Ca -0.35 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2djx h LEU 301 Cb 1.20 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2djx h LEU 301 CO 0.60 0.47 0.00 -0.33 0.09 0.00 0.00 178.44 179.27 2djx h GLU 302 N 0.26 0.00 0.00 1.13 3.07 -1.96 -1.82 114.58 115.27 2djx h GLU 302 Ca 0.05 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.88 2djx h GLU 302 Cb 0.47 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.38 2djx h GLU 302 CO 0.03 0.00 -0.13 0.93 -1.40 0.00 0.00 179.01 178.44 2djx h GLU 303 N 0.00 0.00 0.00 2.33 5.08 -1.94 -3.35 114.58 116.70 2djx h GLU 303 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2djx h GLU 303 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2djx h GLU 303 CO 0.00 0.13 0.00 1.97 -1.00 0.00 0.00 179.01 180.11 2djx n PHE 304 N -3.28 0.00 -1.68 4.33 -1.74 -0.99 -4.98 117.46 109.12 2djx n PHE 304 Ca 0.00 0.00 -0.47 0.00 -0.56 0.00 0.00 57.45 56.43 2djx n PHE 304 Cb 0.38 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.34 2djx n PHE 304 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 2djx n ARG 305 N -0.40 2.27 -1.07 3.97 0.63 -0.72 -1.85 116.66 119.48 2djx n ARG 305 Ca 0.00 0.83 -0.02 0.00 -0.92 0.00 0.00 57.85 57.73 2djx n ARG 305 Cb 0.02 -2.66 -0.01 0.00 0.45 0.00 0.00 32.46 30.26 2djx n ARG 305 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2djx n GLY 306 N 4.10 0.56 1.63 5.14 0.00 -0.60 -4.91 105.19 111.12 2djx n GLY 306 Ca 0.20 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.97 2djx n GLY 306 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2djx n ARG 307 N -2.32 3.78 -1.59 1.61 5.12 -0.77 -4.87 116.66 117.61 2djx n ARG 307 Ca -0.02 -2.92 -0.49 0.00 -1.93 0.00 0.00 57.85 52.49 2djx n ARG 307 Cb 0.16 -1.91 -0.04 0.00 -1.16 0.00 0.00 32.46 29.51 2djx n ARG 307 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 2djx n VAL 308 N 1.18 0.75 -3.72 1.55 3.14 -0.96 -4.97 118.33 115.30 2djx n VAL 308 Ca 0.26 -0.19 -0.37 0.00 -2.96 0.00 0.00 64.34 61.08 2djx n VAL 308 Cb 0.90 -0.88 -0.06 0.00 -1.06 0.00 0.00 33.84 32.74 2djx n VAL 308 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2djx s LYS 309 N -0.23 3.69 0.41 1.45 1.02 -1.26 -5.07 119.74 119.75 2djx s LYS 309 Ca 0.75 0.06 0.06 0.00 0.02 0.00 0.00 55.97 56.86 2djx s LYS 309 Cb -0.86 -3.23 0.01 0.00 -0.52 0.00 0.00 37.83 33.23 2djx s LYS 309 CO 0.51 0.69 0.57 0.95 -0.92 0.00 0.00 175.35 177.15 2djx s THR 310 N -0.88 3.36 -0.22 2.17 -4.23 -1.26 -5.09 115.64 109.49 2djx s THR 310 Ca 0.18 -0.93 -0.16 0.00 -1.18 0.00 0.00 61.69 59.59 2djx s THR 310 Cb -0.14 -3.16 -0.04 0.00 1.34 0.00 0.00 72.50 70.51 2djx s THR 310 CO 0.07 -0.07 0.43 -0.63 -0.54 0.00 0.00 174.62 173.88 2djx s ILE 311 N -2.36 5.16 0.00 2.99 1.01 -1.26 -5.33 121.20 121.41 2djx s ILE 311 Ca 0.52 0.75 0.00 0.00 0.00 0.00 0.00 60.65 61.92 2djx s ILE 311 Cb -0.10 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.61 2djx s ILE 311 CO 0.33 0.20 0.00 -0.62 0.00 0.00 0.00 174.94 174.85