#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rkj n SER 2 N 0.00 -1.79 -4.75 1.61 3.41 -1.26 -5.15 113.62 105.69 1rkj n SER 2 Ca 0.00 -2.98 -0.32 0.00 -0.26 0.00 0.00 58.87 55.32 1rkj n SER 2 Cb 0.00 1.23 0.09 0.00 -0.26 0.00 0.00 64.21 65.27 1rkj n SER 2 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1rkj s HIS 3 N -0.05 2.42 0.00 7.33 0.09 -1.26 -5.05 115.29 118.77 1rkj s HIS 3 Ca 0.23 1.59 0.00 0.00 -0.00 0.00 0.00 55.06 56.88 1rkj s HIS 3 Cb 0.36 -3.14 0.00 0.00 -0.00 0.00 0.00 32.58 29.80 1rkj s HIS 3 CO -0.07 -1.97 0.00 -1.33 -0.00 0.00 0.00 174.74 171.37 1rkj n MET 4 N -3.34 0.00 -1.81 1.40 2.00 -1.26 -5.15 117.12 108.96 1rkj n MET 4 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.80 1rkj n MET 4 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.74 1rkj n MET 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1rkj n VAL 5 N -0.04 -5.82 -3.81 2.03 0.31 -1.26 -5.05 118.33 104.69 1rkj n VAL 5 Ca 0.00 2.68 -0.12 0.00 -0.01 0.00 0.00 64.34 66.89 1rkj n VAL 5 Cb 0.00 -3.62 -0.11 0.00 -0.91 0.00 0.00 33.84 29.20 1rkj n VAL 5 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1rkj s GLU 6 N -3.13 0.42 0.00 5.55 2.02 -1.26 -5.12 118.70 117.17 1rkj s GLU 6 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 54.97 55.00 1rkj s GLU 6 Cb 0.00 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.42 1rkj s GLU 6 CO 0.00 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.60 1rkj n GLY 7 N 2.16 2.94 0.03 -1.39 0.00 -1.26 -4.98 105.19 102.69 1rkj n GLY 7 Ca -0.17 -1.40 -0.05 0.00 0.00 0.00 0.00 46.02 44.40 1rkj n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rkj n SER 8 N 0.00 3.48 -1.03 1.61 3.41 -1.26 -4.62 113.62 115.21 1rkj n SER 8 Ca 0.00 -0.03 0.08 0.00 -0.26 0.00 0.00 58.87 58.66 1rkj n SER 8 Cb 0.00 -0.08 0.24 0.00 -0.26 0.00 0.00 64.21 64.12 1rkj n SER 8 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1rkj n GLU 9 N -2.68 2.35 0.00 4.33 0.00 -1.26 -5.05 120.64 118.33 1rkj n GLU 9 Ca -0.12 -1.97 0.00 0.00 0.00 0.00 0.00 57.16 55.07 1rkj n GLU 9 Cb 0.63 -1.46 0.00 0.00 0.00 0.00 0.00 31.44 30.61 1rkj n GLU 9 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1rkj n SER 10 N 1.05 -4.68 0.00 4.31 7.64 -1.26 -4.83 113.62 115.84 1rkj n SER 10 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1rkj n SER 10 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1rkj n SER 10 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1rkj n THR 11 N -1.39 0.00 -3.79 0.44 5.66 -1.26 -5.06 114.28 108.88 1rkj n THR 11 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 1rkj n THR 11 Cb 0.00 -0.30 -0.07 0.00 -1.55 0.00 0.00 70.33 68.40 1rkj n THR 11 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1rkj s THR 12 N -1.55 0.10 0.29 1.09 -1.32 -1.26 -5.05 115.64 107.93 1rkj s THR 12 Ca 0.00 -0.83 0.09 0.00 -1.21 0.00 0.00 61.69 59.74 1rkj s THR 12 Cb 0.00 -1.03 0.01 0.00 -1.51 0.00 0.00 72.50 69.96 1rkj s THR 12 CO 0.00 -0.46 1.66 -0.65 -2.21 0.00 0.00 174.62 172.96 1rkj h PRO 13 N 3.11 0.07 -3.89 7.08 0.11 -1.98 -3.44 132.00 133.06 1rkj h PRO 13 Ca -0.32 -0.04 -0.30 0.00 0.11 0.00 0.00 66.00 65.45 1rkj h PRO 13 Cb 1.20 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.23 1rkj h PRO 13 CO 0.49 0.59 1.55 1.19 -0.21 0.00 0.00 178.00 181.61 1rkj n PHE 14 N -3.91 0.07 -4.37 0.65 3.72 -1.26 -4.83 117.46 107.52 1rkj n PHE 14 Ca -0.02 0.04 -0.24 0.00 -0.05 0.00 0.00 57.45 57.19 1rkj n PHE 14 Cb 0.55 -0.61 -0.08 0.00 -0.94 0.00 0.00 39.48 38.40 1rkj n PHE 14 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1rkj s ASN 15 N 1.05 4.13 -0.28 4.37 4.22 -1.26 0.03 114.94 127.20 1rkj s ASN 15 Ca 1.03 -0.83 -0.19 0.00 -2.14 0.00 0.00 52.86 50.73 1rkj s ASN 15 Cb -0.71 -0.60 0.10 0.00 1.28 0.00 0.00 41.25 41.32 1rkj s ASN 15 CO 0.43 -0.01 0.80 -0.76 -2.04 0.00 0.00 177.10 175.53 1rkj s LEU 16 N -3.61 -0.75 0.30 3.54 1.43 0.47 -4.95 118.68 115.11 1rkj s LEU 16 Ca 0.31 1.26 0.04 0.00 -1.03 0.00 0.00 54.13 54.71 1rkj s LEU 16 Cb -0.05 2.19 -0.02 0.00 0.03 0.00 0.00 46.19 48.34 1rkj s LEU 16 CO 0.18 -0.21 0.46 0.12 0.23 0.00 0.00 176.35 177.13 1rkj s PHE 17 N 1.17 3.38 -0.04 0.29 2.19 0.17 -0.92 117.98 124.23 1rkj s PHE 17 Ca -0.06 0.07 -0.02 0.00 0.33 0.00 0.00 56.93 57.25 1rkj s PHE 17 Cb -0.05 -1.80 0.03 0.00 -1.31 0.00 0.00 43.02 39.89 1rkj s PHE 17 CO -0.13 0.20 0.06 0.42 1.83 0.00 0.00 175.22 177.60 1rkj s ILE 18 N -2.16 -0.11 0.30 3.12 1.09 0.14 -2.05 121.20 121.53 1rkj s ILE 18 Ca 0.39 0.37 -0.04 0.00 -1.10 0.00 0.00 60.65 60.28 1rkj s ILE 18 Cb -0.09 -0.15 -0.01 0.00 -1.06 0.00 0.00 42.46 41.15 1rkj s ILE 18 CO 0.32 0.16 0.40 -0.83 -0.10 0.00 0.00 174.94 174.88 1rkj s GLY 19 N 1.93 1.35 0.00 6.18 0.00 -0.62 -1.71 107.32 114.45 1rkj s GLY 19 Ca 0.02 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.27 1rkj s GLY 19 CO -0.03 -1.03 0.00 -2.01 0.00 0.00 0.00 173.10 170.02 1rkj n ASN 20 N -0.99 0.00 0.00 1.64 5.15 -1.26 -1.83 115.26 117.97 1rkj n ASN 20 Ca 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 1rkj n ASN 20 Cb 0.62 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.87 1rkj n ASN 20 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1rkj n LEU 21 N 0.00 0.00 0.00 1.20 7.99 -1.26 -4.67 117.00 120.26 1rkj n LEU 21 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1rkj n LEU 21 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1rkj n LEU 21 CO 0.00 0.00 0.00 -0.46 -1.51 0.00 0.00 177.39 175.42 1rkj n ASN 22 N 1.37 0.00 -0.29 -1.43 0.23 -1.26 -4.08 115.26 109.80 1rkj n ASN 22 Ca 0.00 0.00 0.22 0.00 -0.53 0.00 0.00 54.58 54.27 1rkj n ASN 22 Cb 0.00 0.00 0.52 0.00 -2.08 0.00 0.00 39.78 38.22 1rkj n ASN 22 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 1rkj h PRO 23 N 0.00 0.38 -6.16 -0.53 0.11 -1.99 -3.40 132.00 120.41 1rkj h PRO 23 Ca 0.00 -0.02 -0.60 0.00 0.11 0.00 0.00 66.00 65.49 1rkj h PRO 23 Cb 0.00 -0.09 -0.26 0.00 0.11 0.00 0.00 31.00 30.76 1rkj h PRO 23 CO 0.00 0.25 -0.85 -0.80 -0.21 0.00 0.00 178.00 176.39 1rkj s ASN 24 N -5.42 2.56 -0.07 -2.05 -0.87 -1.26 -5.13 114.94 102.70 1rkj s ASN 24 Ca -0.08 -0.52 -0.30 0.00 -1.57 0.00 0.00 52.86 50.38 1rkj s ASN 24 Cb 0.24 -0.22 0.10 0.00 -0.02 0.00 0.00 41.25 41.35 1rkj s ASN 24 CO 0.79 0.18 1.35 -1.59 -2.57 0.00 0.00 177.10 175.26 1rkj s LYS 25 N -1.15 0.15 -0.29 -0.60 -2.85 -1.26 -5.01 119.74 108.73 1rkj s LYS 25 Ca 0.08 -0.10 -0.12 0.00 -1.00 0.00 0.00 55.97 54.83 1rkj s LYS 25 Cb -0.09 0.04 0.11 0.00 -2.06 0.00 0.00 37.83 35.84 1rkj s LYS 25 CO 0.02 -0.07 0.66 -1.12 0.10 0.00 0.00 175.35 174.94 1rkj s SER 26 N -3.80 -1.08 0.02 0.03 0.01 -1.26 -5.04 113.70 102.58 1rkj s SER 26 Ca 0.29 1.56 -0.03 0.00 1.31 0.00 0.00 55.95 59.08 1rkj s SER 26 Cb 0.01 1.98 -0.01 0.00 0.21 0.00 0.00 66.02 68.21 1rkj s SER 26 CO -0.03 -0.23 0.88 0.55 0.41 0.00 0.00 173.24 174.83 1rkj n VAL 27 N 5.05 -0.08 -0.16 3.43 3.14 -1.26 -0.21 118.33 128.24 1rkj n VAL 27 Ca -0.15 1.34 -0.04 0.00 -2.96 0.00 0.00 64.34 62.53 1rkj n VAL 27 Cb 0.53 -1.76 -0.04 0.00 -1.06 0.00 0.00 33.84 31.51 1rkj n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rkj n ALA 28 N -2.90 -0.25 -0.09 1.55 0.00 -1.26 0.09 120.51 117.66 1rkj n ALA 28 Ca 0.00 0.33 -0.11 0.00 0.00 0.00 0.00 53.44 53.66 1rkj n ALA 28 Cb 0.03 0.05 -0.08 0.00 0.00 0.00 0.00 19.45 19.45 1rkj n ALA 28 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1rkj h GLU 29 N 0.00 -0.32 -0.65 0.00 4.39 -1.01 -1.47 114.58 115.53 1rkj h GLU 29 Ca 0.06 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.85 1rkj h GLU 29 Cb 0.16 0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 28.80 1rkj h GLU 29 CO -0.36 -0.21 -0.36 1.28 -1.16 0.00 0.00 179.01 178.20 1rkj n LEU 30 N -4.73 -0.63 -0.27 1.33 4.77 0.11 0.26 117.00 117.84 1rkj n LEU 30 Ca -0.03 1.15 0.08 0.00 -0.03 0.00 0.00 56.01 57.17 1rkj n LEU 30 Cb 0.26 -0.17 0.20 0.00 -2.33 0.00 0.00 43.42 41.38 1rkj n LEU 30 CO 0.01 -0.95 0.87 0.11 -1.33 0.00 0.00 177.39 176.10 1rkj h LYS 31 N 0.00 0.15 0.03 3.23 1.57 -0.67 0.51 116.57 121.39 1rkj h LYS 31 Ca 0.13 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1rkj h LYS 31 Cb 0.29 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1rkj h LYS 31 CO -0.62 0.10 -0.01 0.28 -0.57 0.00 0.00 179.45 178.63 1rkj h VAL 32 N 0.16 0.00 -0.66 0.50 2.07 0.39 -1.59 116.25 117.12 1rkj h VAL 32 Ca 0.46 -0.24 0.23 0.00 0.82 0.00 0.00 66.70 67.97 1rkj h VAL 32 Cb 0.85 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.50 1rkj h VAL 32 CO -0.65 0.00 0.19 0.00 0.02 0.00 0.00 177.57 177.14 1rkj n ALA 33 N -2.20 0.51 -0.01 1.67 0.00 0.24 0.33 120.51 121.05 1rkj n ALA 33 Ca -0.00 0.69 -0.17 0.00 0.00 0.00 0.00 53.44 53.95 1rkj n ALA 33 Cb 0.01 -0.59 -0.10 0.00 0.00 0.00 0.00 19.45 18.77 1rkj n ALA 33 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1rkj h ILE 34 N 0.00 1.38 -0.98 0.00 6.09 -1.01 -2.19 117.51 120.81 1rkj h ILE 34 Ca 0.48 -1.95 0.12 0.00 -1.37 0.00 0.00 64.86 62.14 1rkj h ILE 34 Cb 1.16 2.36 -0.08 0.00 0.47 0.00 0.00 36.82 40.73 1rkj h ILE 34 CO -0.56 0.58 0.62 -1.28 -3.07 0.00 0.00 178.15 174.44 1rkj h SER 35 N 0.05 0.88 -0.24 2.19 0.87 0.66 0.51 113.55 118.48 1rkj h SER 35 Ca -0.06 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.46 1rkj h SER 35 Cb 1.24 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1rkj h SER 35 CO 0.12 0.48 -0.17 -0.33 -0.53 0.00 0.00 176.83 176.39 1rkj h GLU 36 N 0.95 0.54 0.36 2.24 5.08 0.12 0.99 114.58 124.86 1rkj h GLU 36 Ca 0.48 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1rkj h GLU 36 Cb 0.50 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1rkj h GLU 36 CO -0.24 0.83 -0.17 1.25 -1.00 0.00 0.00 179.01 179.68 1rkj h LEU 37 N 0.24 -0.40 -1.30 1.33 7.12 -0.60 -0.99 115.31 120.71 1rkj h LEU 37 Ca 0.05 -0.13 0.00 0.00 0.13 0.00 0.00 57.88 57.93 1rkj h LEU 37 Cb 0.71 0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.94 1rkj h LEU 37 CO 0.05 -0.08 0.00 -0.26 -0.13 0.00 0.00 178.44 178.02 1rkj h PHE 38 N -0.76 0.00 0.00 1.25 -1.00 -0.10 -1.29 116.94 115.04 1rkj h PHE 38 Ca -0.05 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.72 1rkj h PHE 38 Cb 0.51 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.07 1rkj h PHE 38 CO 0.01 0.00 -0.08 0.00 -1.61 0.00 0.00 178.31 176.63 1rkj h ALA 39 N 2.11 0.02 0.00 2.45 0.00 -0.59 -3.27 119.26 119.98 1rkj h ALA 39 Ca 0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1rkj h ALA 39 Cb 0.34 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1rkj h ALA 39 CO 0.00 0.05 -0.02 0.87 0.00 0.00 0.00 179.25 180.15 1rkj h LYS 40 N -1.00 0.00 0.00 0.00 1.57 -1.12 -2.52 116.57 113.50 1rkj h LYS 40 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1rkj h LYS 40 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1rkj h LYS 40 CO -0.01 0.02 0.00 -1.71 -0.57 0.00 0.00 179.45 177.18 1rkj n ASN 41 N -3.12 0.59 0.00 0.86 5.15 -0.50 -4.85 115.26 113.39 1rkj n ASN 41 Ca 0.01 0.63 0.00 0.00 -0.60 0.00 0.00 54.58 54.62 1rkj n ASN 41 Cb 0.33 -0.76 0.00 0.00 -0.53 0.00 0.00 39.78 38.82 1rkj n ASN 41 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1rkj n ASP 42 N -2.13 -3.45 0.00 1.20 2.03 -0.95 -4.82 116.55 108.43 1rkj n ASP 42 Ca 0.03 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.45 1rkj n ASP 42 Cb 0.25 -2.03 0.60 0.00 -0.72 0.00 0.00 41.12 39.22 1rkj n ASP 42 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rkj n LEU 43 N 0.00 0.00 -3.63 -2.67 -0.00 -1.24 -4.94 117.00 104.52 1rkj n LEU 43 Ca 0.00 0.27 -0.30 0.00 -0.00 0.00 0.00 56.01 55.98 1rkj n LEU 43 Cb 0.21 -0.27 0.02 0.00 -0.00 0.00 0.00 43.42 43.38 1rkj n LEU 43 CO 0.00 -0.06 -0.24 0.00 -0.00 0.00 0.00 177.39 177.09 1rkj n ALA 44 N -1.27 -2.58 -1.53 1.47 0.00 -1.23 -4.50 120.51 110.86 1rkj n ALA 44 Ca 0.11 0.04 -0.39 0.00 0.00 0.00 0.00 53.44 53.20 1rkj n ALA 44 Cb 0.18 -1.47 0.03 0.00 0.00 0.00 0.00 19.45 18.19 1rkj n ALA 44 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1rkj n VAL 45 N -1.48 2.59 -0.07 0.00 3.14 -1.26 -4.44 118.33 116.82 1rkj n VAL 45 Ca -0.20 -0.50 -0.13 0.00 -2.96 0.00 0.00 64.34 60.55 1rkj n VAL 45 Cb 0.68 -0.88 -0.04 0.00 -1.06 0.00 0.00 33.84 32.54 1rkj n VAL 45 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1rkj n VAL 46 N -1.32 1.22 -4.48 1.55 0.31 -0.93 -4.95 118.33 109.73 1rkj n VAL 46 Ca 0.12 -0.01 -0.31 0.00 -0.01 0.00 0.00 64.34 64.12 1rkj n VAL 46 Cb 0.44 -1.93 -0.11 0.00 -0.91 0.00 0.00 33.84 31.34 1rkj n VAL 46 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1rkj s ASP 47 N -6.30 4.27 -0.35 4.52 2.15 -0.99 -4.91 116.67 115.06 1rkj s ASP 47 Ca -0.23 -0.30 0.06 0.00 0.43 0.00 0.00 52.55 52.51 1rkj s ASP 47 Cb 0.06 -0.85 0.19 0.00 -0.30 0.00 0.00 42.92 42.02 1rkj s ASP 47 CO 0.31 0.25 0.64 -0.69 -0.17 0.00 0.00 175.17 175.50 1rkj s VAL 48 N -1.02 -0.95 -0.04 1.11 1.01 -1.25 -1.65 120.40 117.60 1rkj s VAL 48 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.22 1rkj s VAL 48 Cb -0.11 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 1rkj s VAL 48 CO 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 175.10 174.93 1rkj s ARG 49 N 2.37 2.36 0.48 2.72 1.70 -0.06 -4.96 118.95 123.55 1rkj s ARG 49 Ca 0.14 -0.91 0.05 0.00 -0.47 0.00 0.00 55.73 54.53 1rkj s ARG 49 Cb -0.07 -2.10 -0.02 0.00 -0.57 0.00 0.00 34.95 32.20 1rkj s ARG 49 CO -0.17 0.45 0.14 0.95 -1.08 0.00 0.00 175.30 175.58 1rkj s THR 50 N -0.33 1.68 -0.10 4.99 -4.23 -1.25 -0.45 115.64 115.95 1rkj s THR 50 Ca 0.02 -1.81 0.03 0.00 -1.18 0.00 0.00 61.69 58.74 1rkj s THR 50 Cb -0.12 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.22 1rkj s THR 50 CO 0.02 0.00 -0.18 -0.83 -0.54 0.00 0.00 174.62 173.09 1rkj s GLY 51 N -3.95 1.44 1.05 3.99 0.00 -0.68 -4.82 107.32 104.35 1rkj s GLY 51 Ca 0.25 -0.95 -0.17 0.00 0.00 0.00 0.00 44.72 43.84 1rkj s GLY 51 CO 0.14 -0.40 1.25 -0.51 0.00 0.00 0.00 173.10 173.58 1rkj s THR 52 N 0.08 1.85 -0.52 0.90 -4.23 -1.26 -2.47 115.64 109.98 1rkj s THR 52 Ca -0.08 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 1rkj s THR 52 Cb -0.15 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.87 1rkj s THR 52 CO 0.05 0.00 0.00 -3.20 -0.54 0.00 0.00 174.62 170.93 1rkj n ASN 53 N -4.14 -4.97 0.00 3.99 2.85 -1.26 -4.65 115.26 107.09 1rkj n ASN 53 Ca 0.15 0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.74 1rkj n ASN 53 Cb 0.59 -2.90 0.00 0.00 1.24 0.00 0.00 39.78 38.71 1rkj n ASN 53 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1rkj n ARG 54 N -1.03 0.00 -3.63 1.20 0.63 -1.25 -5.09 116.66 107.49 1rkj n ARG 54 Ca -0.05 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.59 1rkj n ARG 54 Cb 0.39 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.16 1rkj n ARG 54 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1rkj s LYS 55 N -1.87 0.69 0.14 -0.14 0.00 -1.19 -4.29 119.74 113.08 1rkj s LYS 55 Ca 0.00 -1.21 -0.01 0.00 0.00 0.00 0.00 55.97 54.75 1rkj s LYS 55 Cb 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 37.83 36.04 1rkj s LYS 55 CO 0.00 -1.08 0.32 0.12 0.00 0.00 0.00 175.35 174.72 1rkj s PHE 56 N 1.34 3.49 -0.02 1.78 5.36 -1.03 -4.81 117.98 124.09 1rkj s PHE 56 Ca 0.13 0.32 0.04 0.00 -0.96 0.00 0.00 56.93 56.46 1rkj s PHE 56 Cb -0.20 -1.83 -0.01 0.00 -0.34 0.00 0.00 43.02 40.65 1rkj s PHE 56 CO -0.17 0.47 -0.13 0.20 -1.46 0.00 0.00 175.22 174.13 1rkj s GLY 57 N -2.86 0.66 -0.05 13.12 0.00 -0.70 -1.69 107.32 115.82 1rkj s GLY 57 Ca 0.37 -0.54 -0.10 0.00 0.00 0.00 0.00 44.72 44.45 1rkj s GLY 57 CO 0.28 -0.38 0.24 -0.47 0.00 0.00 0.00 173.10 172.78 1rkj s TYR 58 N -0.15 -0.17 -0.22 1.90 6.14 0.41 0.27 117.35 125.53 1rkj s TYR 58 Ca 0.02 0.35 -0.27 0.00 0.64 0.00 0.00 57.07 57.80 1rkj s TYR 58 Cb -0.07 0.06 0.11 0.00 0.42 0.00 0.00 41.96 42.49 1rkj s TYR 58 CO 0.00 -0.26 0.96 0.54 0.64 0.00 0.00 175.55 177.43 1rkj s VAL 59 N -0.72 0.00 0.15 3.14 0.11 -0.10 -0.88 120.40 122.10 1rkj s VAL 59 Ca -0.08 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.05 1rkj s VAL 59 Cb -0.04 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1rkj s VAL 59 CO 0.02 0.00 -0.06 -0.62 -3.33 0.00 0.00 175.10 171.10 1rkj s ASP 60 N -0.35 4.49 0.52 3.54 -1.08 -0.66 -0.40 116.67 122.73 1rkj s ASP 60 Ca -0.00 -0.45 0.09 0.00 -0.52 0.00 0.00 52.55 51.67 1rkj s ASP 60 Cb -0.03 -0.87 0.06 0.00 -1.46 0.00 0.00 42.92 40.62 1rkj s ASP 60 CO -0.01 0.13 0.72 -0.36 0.52 0.00 0.00 175.17 176.16 1rkj s PHE 61 N -1.54 1.92 -0.38 -5.34 0.08 0.10 -2.18 117.98 110.64 1rkj s PHE 61 Ca 0.25 -0.60 0.09 0.00 0.12 0.00 0.00 56.93 56.79 1rkj s PHE 61 Cb -0.10 -2.28 -0.11 0.00 -0.57 0.00 0.00 43.02 39.96 1rkj s PHE 61 CO 0.16 -0.90 0.37 -0.85 -0.10 0.00 0.00 175.22 173.90 1rkj n GLU 62 N -2.11 3.42 -3.91 0.44 0.28 -1.26 -4.56 120.64 112.93 1rkj n GLU 62 Ca 0.13 -0.01 -0.09 0.00 -0.16 0.00 0.00 57.16 57.03 1rkj n GLU 62 Cb 0.61 -0.98 -0.05 0.00 1.43 0.00 0.00 31.44 32.45 1rkj n GLU 62 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1rkj s SER 63 N -2.05 -0.14 0.27 -1.84 0.15 -1.26 -5.00 113.70 103.82 1rkj s SER 63 Ca 0.03 -0.77 0.23 0.00 0.70 0.00 0.00 55.95 56.13 1rkj s SER 63 Cb 0.07 0.59 0.10 0.00 -1.71 0.00 0.00 66.02 65.06 1rkj s SER 63 CO 0.38 -1.12 1.20 0.00 1.20 0.00 0.00 173.24 174.90 1rkj h ALA 64 N 2.23 0.64 0.00 5.45 0.00 -1.98 -3.26 119.26 122.34 1rkj h ALA 64 Ca -0.26 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1rkj h ALA 64 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1rkj h ALA 64 CO 0.35 0.00 -0.00 1.49 0.00 0.00 0.00 179.25 181.09 1rkj h GLU 65 N 0.00 -0.01 -0.22 0.00 4.57 -1.99 -2.13 114.58 114.80 1rkj h GLU 65 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1rkj h GLU 65 Cb 1.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.58 1rkj h GLU 65 CO 0.00 -0.00 0.46 -0.44 -1.18 0.00 0.00 179.01 177.85 1rkj h ASP 66 N -0.02 0.00 0.01 1.04 5.19 -1.94 0.11 116.42 120.81 1rkj h ASP 66 Ca -0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 1rkj h ASP 66 Cb 0.00 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.52 1rkj h ASP 66 CO 0.00 0.00 -0.37 0.25 -3.12 0.00 0.00 179.24 176.01 1rkj h LEU 67 N 0.00 0.30 -0.68 1.55 6.46 -1.63 -0.85 115.31 120.46 1rkj h LEU 67 Ca 0.10 -0.80 0.02 0.00 -0.12 0.00 0.00 57.88 57.08 1rkj h LEU 67 Cb 1.03 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.83 1rkj h LEU 67 CO -0.00 1.07 0.44 -0.08 -0.62 0.00 0.00 178.44 179.25 1rkj h GLU 68 N -0.43 0.86 0.37 1.25 4.81 -0.09 -0.05 114.58 121.29 1rkj h GLU 68 Ca -0.05 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1rkj h GLU 68 Cb 1.13 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1rkj h GLU 68 CO 0.07 0.57 -0.18 0.87 -0.73 0.00 0.00 179.01 179.61 1rkj h LYS 69 N 0.88 -0.47 -0.93 1.92 1.57 -1.50 -1.71 116.57 116.34 1rkj h LYS 69 Ca 0.26 0.03 0.25 0.00 -1.87 0.00 0.00 60.65 59.33 1rkj h LYS 69 Cb -0.05 0.11 -0.14 0.00 0.08 0.00 0.00 32.23 32.23 1rkj h LYS 69 CO -0.08 -0.32 0.41 0.00 -0.57 0.00 0.00 179.45 178.90 1rkj h ALA 70 N -1.15 1.56 -0.36 3.86 0.00 -1.16 0.36 119.26 122.37 1rkj h ALA 70 Ca -0.05 0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 1rkj h ALA 70 Cb 0.38 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1rkj h ALA 70 CO 0.08 -0.43 -0.39 1.25 0.00 0.00 0.00 179.25 179.76 1rkj h LEU 71 N 0.34 0.93 -0.45 0.00 6.46 -1.07 -3.18 115.31 118.34 1rkj h LEU 71 Ca 0.61 -0.43 0.09 0.00 -0.12 0.00 0.00 57.88 58.03 1rkj h LEU 71 Cb 1.25 -0.26 -0.08 0.00 -0.73 0.00 0.00 40.66 40.84 1rkj h LEU 71 CO -0.58 1.20 -0.05 -0.08 -0.62 0.00 0.00 178.44 178.32 1rkj h GLU 72 N 0.71 0.06 -5.26 1.25 4.57 0.67 -3.39 114.58 113.20 1rkj h GLU 72 Ca 0.06 -0.00 -0.44 0.00 -1.18 0.00 0.00 59.36 57.79 1rkj h GLU 72 Cb 0.97 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.50 1rkj h GLU 72 CO 0.09 0.04 1.63 1.28 -1.18 0.00 0.00 179.01 180.87 1rkj n LEU 73 N -5.26 1.04 0.23 1.64 4.77 -0.88 -4.73 117.00 113.81 1rkj n LEU 73 Ca 0.04 -0.24 0.15 0.00 -0.03 0.00 0.00 56.01 55.93 1rkj n LEU 73 Cb 0.24 -1.20 0.60 0.00 -2.33 0.00 0.00 43.42 40.73 1rkj n LEU 73 CO 0.15 -1.22 0.94 0.74 -1.33 0.00 0.00 177.39 176.68 1rkj h THR 74 N 7.80 0.00 -1.56 -5.08 2.02 -1.89 -3.17 112.91 111.03 1rkj h THR 74 Ca -0.11 -0.47 -0.70 0.00 0.77 0.00 0.00 66.41 65.90 1rkj h THR 74 Cb 1.26 1.40 -0.26 0.00 -1.74 0.00 0.00 68.15 68.81 1rkj h THR 74 CO 1.30 0.00 0.92 0.61 0.37 0.00 0.00 175.52 178.72 1rkj n GLY 75 N 0.14 5.45 1.33 2.16 0.00 -1.26 -4.57 105.19 108.43 1rkj n GLY 75 Ca 0.01 -2.32 0.04 0.00 0.00 0.00 0.00 46.02 43.76 1rkj n GLY 75 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1rkj n LEU 76 N -0.48 3.81 -4.66 0.99 7.94 -1.20 -4.92 117.00 118.48 1rkj n LEU 76 Ca 0.55 -1.93 -0.42 0.00 -1.11 0.00 0.00 56.01 53.09 1rkj n LEU 76 Cb 0.40 -0.60 -0.03 0.00 0.53 0.00 0.00 43.42 43.72 1rkj n LEU 76 CO 0.57 0.48 1.33 -1.59 -1.11 0.00 0.00 177.39 177.07 1rkj s LYS 77 N -2.04 4.19 0.63 1.96 -2.85 -1.26 -4.85 119.74 115.53 1rkj s LYS 77 Ca 0.33 2.14 0.24 0.00 -1.00 0.00 0.00 55.97 57.68 1rkj s LYS 77 Cb 0.25 -3.91 1.20 0.00 -2.06 0.00 0.00 37.83 33.31 1rkj s LYS 77 CO 0.10 -0.81 1.67 -0.39 0.10 0.00 0.00 175.35 176.02 1rkj h VAL 78 N 5.47 0.11 0.00 1.79 -1.51 -1.91 -3.36 116.25 116.83 1rkj h VAL 78 Ca -0.38 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1rkj h VAL 78 Cb 1.17 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.78 1rkj h VAL 78 CO 0.95 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 177.78 1rkj n PHE 79 N -3.11 0.00 -1.85 5.19 3.01 -1.26 -4.97 117.46 114.47 1rkj n PHE 79 Ca 0.05 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.49 1rkj n PHE 79 Cb 0.73 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.19 1rkj n PHE 79 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rkj n GLY 80 N 4.83 -0.25 0.00 1.37 0.00 -1.26 -4.98 105.19 104.90 1rkj n GLY 80 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1rkj n GLY 80 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rkj n ASN 81 N -0.10 1.94 -1.06 1.61 2.85 -1.26 -5.08 115.26 114.16 1rkj n ASN 81 Ca -0.06 -0.24 0.00 0.00 -0.11 0.00 0.00 54.58 54.16 1rkj n ASN 81 Cb 0.42 1.31 0.00 0.00 1.24 0.00 0.00 39.78 42.75 1rkj n ASN 81 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1rkj n GLU 82 N -1.65 0.00 0.00 1.20 2.13 -1.26 -5.01 120.64 116.04 1rkj n GLU 82 Ca -0.01 0.35 0.00 0.00 0.66 0.00 0.00 57.16 58.17 1rkj n GLU 82 Cb 0.23 -0.71 0.00 0.00 0.27 0.00 0.00 31.44 31.23 1rkj n GLU 82 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1rkj n ILE 83 N 0.16 0.00 -3.71 6.31 -5.35 -1.26 -4.84 119.36 110.68 1rkj n ILE 83 Ca 0.00 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.36 1rkj n ILE 83 Cb 0.00 -1.93 -0.13 0.00 -1.74 0.00 0.00 39.64 35.85 1rkj n ILE 83 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1rkj s LYS 84 N -2.76 0.22 0.22 6.28 1.02 -0.76 -4.96 119.74 119.00 1rkj s LYS 84 Ca 0.00 0.62 0.03 0.00 0.02 0.00 0.00 55.97 56.64 1rkj s LYS 84 Cb 0.00 -0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.20 1rkj s LYS 84 CO 0.00 -0.19 0.37 -0.51 -0.92 0.00 0.00 175.35 174.09 1rkj s LEU 85 N 1.58 4.28 0.08 3.17 1.02 -1.26 -1.59 118.68 125.96 1rkj s LEU 85 Ca -0.07 0.18 -0.26 0.00 0.02 0.00 0.00 54.13 54.00 1rkj s LEU 85 Cb -0.11 -2.96 0.09 0.00 0.02 0.00 0.00 46.19 43.23 1rkj s LEU 85 CO -0.09 -0.06 1.15 -1.83 0.02 0.00 0.00 176.35 175.54 1rkj s GLU 86 N -3.74 0.84 -0.57 1.70 -1.05 -0.87 -4.93 118.70 110.08 1rkj s GLU 86 Ca 0.35 -0.52 -0.05 0.00 -0.15 0.00 0.00 54.97 54.60 1rkj s GLU 86 Cb -0.10 0.25 0.15 0.00 -0.44 0.00 0.00 34.13 33.99 1rkj s GLU 86 CO 0.30 -0.39 0.40 0.15 0.95 0.00 0.00 175.26 176.67 1rkj s LYS 87 N -2.32 2.53 0.00 -4.83 3.01 -1.26 0.45 119.74 117.32 1rkj s LYS 87 Ca 0.21 -2.21 0.00 0.00 -1.01 0.00 0.00 55.97 52.97 1rkj s LYS 87 Cb -0.00 -3.82 0.00 0.00 -1.01 0.00 0.00 37.83 33.00 1rkj s LYS 87 CO 0.01 -1.17 0.50 -2.30 0.51 0.00 0.00 175.35 172.90 1rkj n PRO 88 N 4.08 0.00 0.00 -1.68 -0.02 -1.26 -5.05 135.00 131.08 1rkj n PRO 88 Ca 0.03 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1rkj n PRO 88 Cb 0.40 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.86 1rkj n PRO 88 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1rkj n LYS 89 N -0.79 0.00 0.00 -0.52 2.85 -1.26 -5.11 118.16 113.33 1rkj n LYS 89 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1rkj n LYS 89 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1rkj n LYS 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1rkj n GLY 90 N 0.00 0.00 4.49 2.58 0.00 -1.26 -4.87 105.19 106.12 1rkj n GLY 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1rkj n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1rkj n ARG 91 N 0.00 0.00 0.00 1.61 3.00 -1.26 -5.00 116.66 115.01 1rkj n ARG 91 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1rkj n ARG 91 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1rkj n ARG 91 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1rkj n ASP 92 N 0.28 0.00 -2.69 6.15 5.75 -1.26 -5.10 116.55 119.68 1rkj n ASP 92 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.72 1rkj n ASP 92 Cb 0.00 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.17 1rkj n ASP 92 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1rkj n SER 93 N 0.00 -1.78 -1.34 -1.12 2.88 -1.26 -5.01 113.62 105.99 1rkj n SER 93 Ca 0.00 -2.51 0.00 0.00 -1.33 0.00 0.00 58.87 55.03 1rkj n SER 93 Cb 0.00 1.24 0.00 0.00 -0.75 0.00 0.00 64.21 64.70 1rkj n SER 93 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1rkj n LYS 94 N -0.25 3.44 -0.50 -1.46 0.00 -1.26 -4.73 118.16 113.40 1rkj n LYS 94 Ca -0.06 0.00 0.38 0.00 -0.00 0.00 0.00 58.31 58.63 1rkj n LYS 94 Cb 0.76 0.00 0.58 0.00 -0.00 0.00 0.00 35.03 36.38 1rkj n LYS 94 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1rkj n LYS 95 N 0.00 0.00 -0.37 -1.58 4.81 -1.26 -0.90 118.16 118.86 1rkj n LYS 95 Ca 0.00 0.79 0.32 0.00 -0.87 0.00 0.00 58.31 58.55 1rkj n LYS 95 Cb 0.00 -1.83 0.49 0.00 0.02 0.00 0.00 35.03 33.72 1rkj n LYS 95 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1rkj n VAL 96 N -3.36 0.00 -3.20 3.15 0.24 -1.26 -4.72 118.33 109.18 1rkj n VAL 96 Ca 0.32 1.06 -0.15 0.00 -2.04 0.00 0.00 64.34 63.53 1rkj n VAL 96 Cb 1.46 -1.83 0.07 0.00 -1.47 0.00 0.00 33.84 32.07 1rkj n VAL 96 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1rkj n ARG 97 N -3.15 -5.58 0.00 7.34 1.74 -0.08 -2.10 116.66 114.82 1rkj n ARG 97 Ca 0.27 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 58.04 1rkj n ARG 97 Cb 1.38 -5.24 0.00 0.00 -1.02 0.00 0.00 32.46 27.58 1rkj n ARG 97 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rkj n ALA 98 N -3.72 0.00 -0.01 7.54 0.00 -1.26 -2.49 120.51 120.58 1rkj n ALA 98 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1rkj n ALA 98 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1rkj n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rkj n ALA 99 N -0.71 0.00 -3.04 0.00 0.00 -0.89 -3.71 120.51 112.16 1rkj n ALA 99 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1rkj n ALA 99 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1rkj n ALA 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rkj n ARG 100 N 0.00 2.52 -3.88 0.00 1.74 -1.26 0.25 116.66 116.04 1rkj n ARG 100 Ca 0.00 -4.41 -0.09 0.00 -0.77 0.00 0.00 57.85 52.58 1rkj n ARG 100 Cb 0.00 -2.07 -0.07 0.00 -1.02 0.00 0.00 32.46 29.30 1rkj n ARG 100 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1rkj s THR 101 N -3.74 0.12 0.03 0.55 -4.23 -0.89 -2.17 115.64 105.32 1rkj s THR 101 Ca 0.46 -1.23 0.05 0.00 -1.18 0.00 0.00 61.69 59.80 1rkj s THR 101 Cb 0.29 -1.46 -0.02 0.00 1.34 0.00 0.00 72.50 72.65 1rkj s THR 101 CO -0.12 -0.56 -0.16 -0.22 -0.54 0.00 0.00 174.62 173.03 1rkj s LEU 102 N -2.89 2.14 -0.23 4.79 0.20 0.21 0.22 118.68 123.12 1rkj s LEU 102 Ca 0.08 -0.44 -0.12 0.00 0.69 0.00 0.00 54.13 54.34 1rkj s LEU 102 Cb 0.04 -0.73 -0.05 0.00 -0.43 0.00 0.00 46.19 45.03 1rkj s LEU 102 CO -0.08 0.09 0.21 -0.22 -0.29 0.00 0.00 176.35 176.06 1rkj s LEU 103 N -1.01 4.13 -0.29 -0.68 1.98 -0.06 -0.62 118.68 122.14 1rkj s LEU 103 Ca 0.04 0.21 -0.13 0.00 -2.89 0.00 0.00 54.13 51.36 1rkj s LEU 103 Cb -0.08 -2.20 -0.04 0.00 0.66 0.00 0.00 46.19 44.53 1rkj s LEU 103 CO 0.01 0.04 0.26 0.00 -1.89 0.00 0.00 176.35 174.77 1rkj s ALA 104 N 1.07 3.53 0.52 5.97 0.00 0.25 0.11 121.76 133.22 1rkj s ALA 104 Ca 0.10 -1.06 0.08 0.00 0.00 0.00 0.00 51.96 51.09 1rkj s ALA 104 Cb -0.14 -2.59 0.05 0.00 0.00 0.00 0.00 23.12 20.44 1rkj s ALA 104 CO 0.05 -0.67 0.64 0.15 0.00 0.00 0.00 175.76 175.93 1rkj s LYS 105 N 1.86 2.42 -0.45 0.00 3.01 0.15 -0.04 119.74 126.69 1rkj s LYS 105 Ca 0.09 -1.62 -0.02 0.00 -1.01 0.00 0.00 55.97 53.41 1rkj s LYS 105 Cb -0.16 -2.54 0.00 0.00 -1.01 0.00 0.00 37.83 34.12 1rkj s LYS 105 CO 0.11 -0.64 0.39 -1.71 0.51 0.00 0.00 175.35 174.01 1rkj n ASN 106 N -2.01 -3.15 -3.94 2.83 4.05 -1.23 0.65 115.26 112.47 1rkj n ASN 106 Ca 0.10 -0.19 -0.30 0.00 0.45 0.00 0.00 54.58 54.64 1rkj n ASN 106 Cb 0.62 -2.04 0.22 0.00 1.23 0.00 0.00 39.78 39.81 1rkj n ASN 106 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1rkj s LEU 107 N -3.21 1.63 -0.02 1.20 2.96 -0.94 -4.62 118.68 115.68 1rkj s LEU 107 Ca 0.15 0.44 0.03 0.00 -0.22 0.00 0.00 54.13 54.54 1rkj s LEU 107 Cb -0.07 -2.31 0.05 0.00 0.50 0.00 0.00 46.19 44.37 1rkj s LEU 107 CO 0.25 -3.50 0.88 -0.24 -1.32 0.00 0.00 176.35 172.41 1rkj n SER 108 N -4.31 1.14 0.00 3.68 2.88 -1.26 -4.99 113.62 110.76 1rkj n SER 108 Ca 0.14 -1.89 0.00 0.00 -1.33 0.00 0.00 58.87 55.79 1rkj n SER 108 Cb 0.59 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1rkj n SER 108 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1rkj n PHE 109 N -0.44 0.00 -0.15 0.66 3.72 -1.26 -4.14 117.46 115.85 1rkj n PHE 109 Ca 0.03 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.39 1rkj n PHE 109 Cb 0.47 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.06 1rkj n PHE 109 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1rkj h ASN 110 N 0.00 0.21 -1.57 4.37 -0.26 -2.01 -3.43 115.58 112.89 1rkj h ASN 110 Ca 0.00 0.05 -0.51 0.00 -0.56 0.00 0.00 56.30 55.28 1rkj h ASN 110 Cb 0.00 0.02 0.24 0.00 -1.06 0.00 0.00 38.32 37.52 1rkj h ASN 110 CO 0.00 0.15 -2.09 -0.38 -1.06 0.00 0.00 177.43 174.05 1rkj n ILE 111 N -4.98 0.00 -1.90 2.81 2.08 -1.26 -5.00 119.36 111.10 1rkj n ILE 111 Ca 0.04 -0.31 0.00 0.00 0.56 0.00 0.00 62.75 63.05 1rkj n ILE 111 Cb 0.17 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.06 1rkj n ILE 111 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1rkj n THR 112 N -2.73 0.00 0.19 1.39 -2.24 -1.26 -4.99 114.28 104.64 1rkj n THR 112 Ca -0.02 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.82 1rkj n THR 112 Cb 0.60 0.00 0.34 0.00 -2.10 0.00 0.00 70.33 69.17 1rkj n THR 112 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1rkj h GLU 113 N 0.00 0.00 0.56 -0.78 3.07 -1.97 -2.12 114.58 113.34 1rkj h GLU 113 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1rkj h GLU 113 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1rkj h GLU 113 CO 0.00 0.38 -0.45 -0.44 -1.40 0.00 0.00 179.01 177.10 1rkj h ASP 114 N 0.00 -1.19 -0.24 1.42 3.32 -1.97 0.28 116.42 118.04 1rkj h ASP 114 Ca -0.00 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1rkj h ASP 114 Cb 0.88 0.37 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 1rkj h ASP 114 CO 0.05 -0.63 -0.02 -0.33 -1.72 0.00 0.00 179.24 176.59 1rkj h GLU 115 N -0.98 0.43 0.00 3.56 5.08 -1.97 -1.02 114.58 119.68 1rkj h GLU 115 Ca -0.07 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1rkj h GLU 115 Cb 0.82 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1rkj h GLU 115 CO 0.01 0.63 0.00 -0.11 -1.00 0.00 0.00 179.01 178.54 1rkj n LEU 116 N -4.62 0.00 -0.45 1.33 7.94 -0.80 -0.43 117.00 119.97 1rkj n LEU 116 Ca -0.04 0.64 0.37 0.00 -1.11 0.00 0.00 56.01 55.88 1rkj n LEU 116 Cb 0.26 -0.14 0.68 0.00 0.53 0.00 0.00 43.42 44.74 1rkj n LEU 116 CO 0.38 -0.14 1.29 0.07 -1.11 0.00 0.00 177.39 177.88 1rkj h LYS 117 N 0.00 0.10 -0.95 1.96 5.09 -0.57 1.79 116.57 123.99 1rkj h LYS 117 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.73 1rkj h LYS 117 Cb 0.00 -0.02 -0.05 0.00 0.10 0.00 0.00 32.23 32.26 1rkj h LYS 117 CO 0.00 0.07 0.60 1.49 -2.09 0.00 0.00 179.45 179.51 1rkj h GLU 118 N 0.10 1.27 0.07 0.07 4.81 -0.55 -2.91 114.58 117.44 1rkj h GLU 118 Ca 0.77 -0.10 -0.18 0.00 -0.13 0.00 0.00 59.36 59.72 1rkj h GLU 118 Cb 2.58 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 31.68 1rkj h GLU 118 CO -0.27 0.87 -0.89 0.28 -0.73 0.00 0.00 179.01 178.27 1rkj h VAL 119 N 1.30 1.31 -2.17 0.32 2.07 0.53 -3.39 116.25 116.22 1rkj h VAL 119 Ca 0.34 -2.37 -0.78 0.00 0.82 0.00 0.00 66.70 64.71 1rkj h VAL 119 Cb -0.10 2.90 -0.22 0.00 -1.52 0.00 0.00 31.29 32.35 1rkj h VAL 119 CO -0.07 0.60 1.39 0.49 0.02 0.00 0.00 177.57 180.01 1rkj n PHE 120 N -4.25 2.80 0.00 1.57 3.01 0.80 -4.86 117.46 116.52 1rkj n PHE 120 Ca -0.20 -2.76 0.00 0.00 1.01 0.00 0.00 57.45 55.50 1rkj n PHE 120 Cb 0.73 -1.64 0.00 0.00 -0.01 0.00 0.00 39.48 38.56 1rkj n PHE 120 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1rkj n GLU 121 N 2.76 0.00 -0.36 -1.08 4.07 -1.10 -1.85 120.64 123.08 1rkj n GLU 121 Ca 0.33 0.50 0.36 0.00 -0.06 0.00 0.00 57.16 58.29 1rkj n GLU 121 Cb 0.35 -1.38 0.63 0.00 -0.06 0.00 0.00 31.44 30.98 1rkj n GLU 121 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1rkj h ASP 122 N 0.00 0.00 -0.77 4.31 5.19 -1.89 -3.42 116.42 119.84 1rkj h ASP 122 Ca 0.00 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.78 1rkj h ASP 122 Cb 0.00 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.54 1rkj h ASP 122 CO 0.00 0.00 0.22 0.00 -3.12 0.00 0.00 179.24 176.34 1rkj n ALA 123 N -2.53 -2.24 0.11 3.45 0.00 -0.77 -4.84 120.51 113.68 1rkj n ALA 123 Ca 0.29 0.43 0.11 0.00 0.00 0.00 0.00 53.44 54.27 1rkj n ALA 123 Cb 1.58 -1.40 -0.16 0.00 0.00 0.00 0.00 19.45 19.47 1rkj n ALA 123 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rkj n LEU 124 N 1.86 0.12 -3.62 0.00 4.77 -0.40 -4.89 117.00 114.84 1rkj n LEU 124 Ca 0.19 -0.06 -0.18 0.00 -0.03 0.00 0.00 56.01 55.92 1rkj n LEU 124 Cb 0.02 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.96 1rkj n LEU 124 CO 0.55 0.03 -0.25 -1.61 -1.33 0.00 0.00 177.39 174.78 1rkj s GLU 125 N -3.40 0.06 -0.37 3.23 0.41 -0.80 -5.00 118.70 112.83 1rkj s GLU 125 Ca -0.06 0.39 -0.13 0.00 -0.41 0.00 0.00 54.97 54.77 1rkj s GLU 125 Cb 0.14 -0.69 0.01 0.00 -1.78 0.00 0.00 34.13 31.81 1rkj s GLU 125 CO 0.87 -0.43 0.25 0.42 -0.49 0.00 0.00 175.26 175.88 1rkj s ILE 126 N 2.27 5.06 0.01 -1.63 1.01 -1.26 -1.00 121.20 125.66 1rkj s ILE 126 Ca 0.04 -0.56 0.08 0.00 0.00 0.00 0.00 60.65 60.21 1rkj s ILE 126 Cb -0.13 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 1rkj s ILE 126 CO -0.07 -0.18 -0.24 -0.13 0.00 0.00 0.00 174.94 174.32 1rkj s ARG 127 N 1.66 1.82 -0.26 2.79 0.52 0.16 -5.03 118.95 120.61 1rkj s ARG 127 Ca 0.05 -0.94 -0.07 0.00 -0.52 0.00 0.00 55.73 54.24 1rkj s ARG 127 Cb -0.18 -1.86 -0.02 0.00 0.52 0.00 0.00 34.95 33.41 1rkj s ARG 127 CO 0.09 0.50 0.06 -0.51 0.02 0.00 0.00 175.30 175.46 1rkj s LEU 128 N -0.85 3.49 -0.68 2.53 1.43 -1.26 0.35 118.68 123.70 1rkj s LEU 128 Ca 0.10 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 52.70 1rkj s LEU 128 Cb -0.09 -1.90 0.16 0.00 0.03 0.00 0.00 46.19 44.39 1rkj s LEU 128 CO 0.00 -0.07 0.66 -0.69 0.23 0.00 0.00 176.35 176.48 1rkj s VAL 129 N 1.58 5.29 0.00 -1.59 1.01 0.15 -4.85 120.40 121.99 1rkj s VAL 129 Ca 0.05 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.22 1rkj s VAL 129 Cb -0.15 -4.43 0.00 0.00 0.00 0.00 0.00 36.38 31.79 1rkj s VAL 129 CO 0.03 -1.00 0.00 -1.54 0.00 0.00 0.00 175.10 172.59 1rkj n SER 130 N 4.96 0.00 0.00 3.32 3.41 -1.26 -1.64 113.62 122.42 1rkj n SER 130 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1rkj n SER 130 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1rkj n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rkj n GLN 131 N 0.00 0.00 0.00 4.33 10.64 -1.26 -4.81 117.38 126.28 1rkj n GLN 131 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1rkj n GLN 131 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1rkj n GLN 131 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1rkj n ASP 132 N 0.00 0.00 0.00 2.61 2.03 -1.26 -3.84 116.55 116.09 1rkj n ASP 132 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1rkj n ASP 132 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1rkj n ASP 132 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rkj n GLY 133 N 0.00 2.67 0.97 0.27 0.00 -1.26 -4.95 105.19 102.88 1rkj n GLY 133 Ca 0.00 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.75 1rkj n GLY 133 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rkj n LYS 134 N 0.00 2.46 -1.03 1.61 4.76 -1.26 -5.03 118.16 119.67 1rkj n LYS 134 Ca 0.00 -1.42 0.14 0.00 -2.87 0.00 0.00 58.31 54.16 1rkj n LYS 134 Cb 0.00 -1.64 -0.04 0.00 -1.84 0.00 0.00 35.03 31.52 1rkj n LYS 134 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1rkj n SER 135 N 0.39 -6.19 0.03 4.39 7.64 -1.25 -4.99 113.62 113.65 1rkj n SER 135 Ca 0.13 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.11 1rkj n SER 135 Cb 0.55 -3.25 0.00 0.00 -1.01 0.00 0.00 64.21 60.49 1rkj n SER 135 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1rkj n LYS 136 N -3.18 0.00 -2.27 1.43 4.81 -1.26 -4.69 118.16 112.99 1rkj n LYS 136 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1rkj n LYS 136 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 1rkj n LYS 136 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rkj n GLY 137 N -0.75 0.94 2.98 3.14 0.00 -1.25 -4.97 105.19 105.28 1rkj n GLY 137 Ca 0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 1rkj n GLY 137 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rkj s ILE 138 N -2.91 0.30 -0.10 -0.61 -4.36 -0.65 -2.22 121.20 110.65 1rkj s ILE 138 Ca 0.00 -0.66 0.01 0.00 -0.26 0.00 0.00 60.65 59.74 1rkj s ILE 138 Cb 0.00 -0.35 0.02 0.00 1.25 0.00 0.00 42.46 43.37 1rkj s ILE 138 CO 0.00 -0.24 -0.13 0.00 0.24 0.00 0.00 174.94 174.81 1rkj s ALA 139 N -0.89 1.54 -0.20 2.27 0.00 0.94 0.32 121.76 125.75 1rkj s ALA 139 Ca -0.07 -0.64 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 1rkj s ALA 139 Cb -0.07 -0.79 -0.05 0.00 0.00 0.00 0.00 23.12 22.22 1rkj s ALA 139 CO -0.00 -0.09 0.26 -0.47 0.00 0.00 0.00 175.76 175.46 1rkj s TYR 140 N 1.03 3.38 -0.15 0.00 6.14 0.16 0.87 117.35 128.78 1rkj s TYR 140 Ca -0.07 0.45 -0.00 0.00 0.64 0.00 0.00 57.07 58.10 1rkj s TYR 140 Cb -0.15 -2.36 0.03 0.00 0.42 0.00 0.00 41.96 39.91 1rkj s TYR 140 CO -0.01 0.11 -0.09 0.42 0.64 0.00 0.00 175.55 176.62 1rkj s ILE 141 N 0.91 1.26 0.16 3.14 1.09 0.21 0.35 121.20 128.32 1rkj s ILE 141 Ca 0.13 -0.56 0.01 0.00 -1.10 0.00 0.00 60.65 59.14 1rkj s ILE 141 Cb -0.13 -1.30 -0.04 0.00 -1.06 0.00 0.00 42.46 39.93 1rkj s ILE 141 CO 0.05 0.30 0.32 -0.70 -0.10 0.00 0.00 174.94 174.81 1rkj s GLU 142 N 1.60 3.48 0.00 2.79 2.12 -0.17 -0.62 118.70 127.89 1rkj s GLU 142 Ca 0.03 -0.47 0.00 0.00 0.36 0.00 0.00 54.97 54.89 1rkj s GLU 142 Cb -0.14 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.33 1rkj s GLU 142 CO -0.09 0.48 0.00 1.19 -0.54 0.00 0.00 175.26 176.30 1rkj n PHE 143 N -0.51 0.00 -0.37 5.30 3.01 -0.92 -1.27 117.46 122.70 1rkj n PHE 143 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.40 1rkj n PHE 143 Cb 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 1rkj n PHE 143 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1rkj n LYS 144 N 0.00 0.73 -3.58 -1.08 3.00 -1.26 -4.54 118.16 111.43 1rkj n LYS 144 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 1rkj n LYS 144 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 35.03 34.47 1rkj n LYS 144 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1rkj n SER 145 N -0.15 0.00 0.18 3.14 7.64 -1.26 -4.96 113.62 118.21 1rkj n SER 145 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 1rkj n SER 145 Cb 0.09 0.00 0.45 0.00 -1.01 0.00 0.00 64.21 63.74 1rkj n SER 145 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1rkj h GLU 146 N 0.00 0.00 0.21 1.43 4.11 -1.91 -3.06 114.58 115.35 1rkj h GLU 146 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1rkj h GLU 146 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1rkj h GLU 146 CO 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 179.01 178.95 1rkj h ALA 147 N 2.21 -1.00 -0.65 1.06 0.00 -1.99 -0.44 119.26 118.46 1rkj h ALA 147 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1rkj h ALA 147 Cb 0.63 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1rkj h ALA 147 CO 0.00 -0.98 0.09 -0.44 0.00 0.00 0.00 179.25 177.91 1rkj h ASP 148 N -0.32 1.04 0.25 0.00 5.19 -1.97 -0.21 116.42 120.41 1rkj h ASP 148 Ca -0.03 -0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 1rkj h ASP 148 Cb 0.25 -0.28 -0.04 0.00 0.18 0.00 0.00 39.33 39.45 1rkj h ASP 148 CO 0.03 1.04 -0.53 0.00 -3.12 0.00 0.00 179.24 176.66 1rkj h ALA 149 N 1.07 -1.05 0.60 3.45 0.00 -1.53 -0.79 119.26 121.00 1rkj h ALA 149 Ca 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1rkj h ALA 149 Cb 0.46 0.85 0.01 0.00 0.00 0.00 0.00 17.79 19.11 1rkj h ALA 149 CO 0.02 -1.15 -0.29 1.49 0.00 0.00 0.00 179.25 179.31 1rkj h GLU 150 N -0.85 -0.78 0.00 0.00 4.57 -1.07 -0.40 114.58 116.06 1rkj h GLU 150 Ca -0.03 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1rkj h GLU 150 Cb 0.81 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 1rkj h GLU 150 CO -0.21 -0.49 0.00 1.17 -1.18 0.00 0.00 179.01 178.30 1rkj n LYS 151 N -5.33 0.00 -0.08 1.92 4.81 -0.09 -1.49 118.16 117.90 1rkj n LYS 151 Ca -0.11 0.81 -0.06 0.00 -0.87 0.00 0.00 58.31 58.08 1rkj n LYS 151 Cb 0.34 -1.30 -0.00 0.00 0.02 0.00 0.00 35.03 34.08 1rkj n LYS 151 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1rkj h ASN 152 N 0.00 -0.38 -0.98 3.14 4.21 -1.27 -1.17 115.58 119.13 1rkj h ASN 152 Ca 0.00 0.10 0.37 0.00 1.21 0.00 0.00 56.30 57.98 1rkj h ASN 152 Cb 0.00 0.23 -0.13 0.00 -1.12 0.00 0.00 38.32 37.30 1rkj h ASN 152 CO 0.00 -0.14 0.59 -0.11 -1.29 0.00 0.00 177.43 176.48 1rkj n LEU 153 N -5.29 0.22 0.03 1.61 7.94 -0.16 0.12 117.00 121.47 1rkj n LEU 153 Ca 0.00 1.21 -0.22 0.00 -1.11 0.00 0.00 56.01 55.90 1rkj n LEU 153 Cb 0.20 -0.59 -0.14 0.00 0.53 0.00 0.00 43.42 43.42 1rkj n LEU 153 CO 0.18 -1.34 -0.61 -0.33 -1.11 0.00 0.00 177.39 174.18 1rkj h GLU 154 N 0.00 0.31 0.32 1.96 5.08 -0.31 -3.16 114.58 118.77 1rkj h GLU 154 Ca 0.70 -0.53 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1rkj h GLU 154 Cb 2.08 0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.53 1rkj h GLU 154 CO -0.48 1.25 -0.15 1.49 -1.00 0.00 0.00 179.01 180.12 1rkj h GLU 155 N -0.02 -0.41 0.00 2.33 4.81 0.16 -3.16 114.58 118.28 1rkj h GLU 155 Ca -0.37 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1rkj h GLU 155 Cb 1.98 0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.46 1rkj h GLU 155 CO 0.11 -0.28 0.00 1.57 -0.73 0.00 0.00 179.01 179.68 1rkj h LYS 156 N -0.65 0.00 -5.30 1.92 2.10 -0.37 -3.43 116.57 110.83 1rkj h LYS 156 Ca -0.04 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.04 1rkj h LYS 156 Cb 0.33 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.59 1rkj h LYS 156 CO 0.07 0.00 1.64 0.94 -2.00 0.00 0.00 179.45 180.11 1rkj n GLN 157 N -2.50 0.12 -2.17 0.07 -0.06 -1.19 -3.05 117.38 108.59 1rkj n GLN 157 Ca -0.02 0.01 -0.01 0.00 -2.00 0.00 0.00 57.00 54.99 1rkj n GLN 157 Cb 0.06 -1.68 -0.01 0.00 -4.06 0.00 0.00 30.24 24.55 1rkj n GLN 157 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1rkj n GLY 158 N 6.68 -3.81 0.80 1.69 0.00 -1.18 -5.03 105.19 104.34 1rkj n GLY 158 Ca 0.61 0.31 -0.02 0.00 0.00 0.00 0.00 46.02 46.92 1rkj n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rkj n ALA 159 N 0.52 2.42 0.00 4.61 0.00 -1.17 -4.90 120.51 121.99 1rkj n ALA 159 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1rkj n ALA 159 Cb 0.08 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1rkj n ALA 159 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1rkj n GLU 160 N -3.36 0.00 -1.50 0.00 2.13 -1.26 -4.67 120.64 111.97 1rkj n GLU 160 Ca -0.02 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.69 1rkj n GLU 160 Cb 0.09 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.76 1rkj n GLU 160 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 1rkj n ILE 161 N 0.00 -0.09 0.00 6.31 3.06 -1.26 -1.11 119.36 126.28 1rkj n ILE 161 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1rkj n ILE 161 Cb 0.00 -1.08 0.00 0.00 0.54 0.00 0.00 39.64 39.10 1rkj n ILE 161 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1rkj n ASP 162 N -0.46 0.00 -0.00 9.51 -0.08 -1.26 -4.82 116.55 119.44 1rkj n ASP 162 Ca -0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 1rkj n ASP 162 Cb 0.39 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.85 1rkj n ASP 162 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rkj n GLY 163 N 0.00 1.58 0.00 0.27 0.00 -0.27 -4.98 105.19 101.79 1rkj n GLY 163 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1rkj n GLY 163 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1rkj n ARG 164 N -0.99 1.32 -3.15 1.61 3.00 -0.81 -5.03 116.66 112.61 1rkj n ARG 164 Ca 0.00 -0.97 -0.10 0.00 -0.00 0.00 0.00 57.85 56.79 1rkj n ARG 164 Cb 0.13 -0.86 0.01 0.00 0.00 0.00 0.00 32.46 31.74 1rkj n ARG 164 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1rkj n SER 165 N -0.25 -6.72 -4.56 6.15 3.41 -1.15 -4.90 113.62 105.60 1rkj n SER 165 Ca 0.00 0.48 -0.29 0.00 -0.26 0.00 0.00 58.87 58.80 1rkj n SER 165 Cb 0.25 -2.62 0.22 0.00 -0.26 0.00 0.00 64.21 61.80 1rkj n SER 165 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1rkj s VAL 166 N -1.36 2.08 0.12 -3.33 0.11 -1.26 -4.78 120.40 111.99 1rkj s VAL 166 Ca 0.11 0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.23 1rkj s VAL 166 Cb -0.01 -2.11 -0.04 0.00 -1.53 0.00 0.00 36.38 32.69 1rkj s VAL 166 CO 0.41 -0.03 0.11 -0.44 -3.33 0.00 0.00 175.10 171.82 1rkj s SER 167 N -2.64 5.55 -0.21 3.54 0.01 0.21 -3.07 113.70 117.09 1rkj s SER 167 Ca 0.68 -0.06 -0.05 0.00 1.31 0.00 0.00 55.95 57.82 1rkj s SER 167 Cb -0.24 -1.48 0.10 0.00 0.21 0.00 0.00 66.02 64.62 1rkj s SER 167 CO 0.62 0.12 0.39 -1.48 0.41 0.00 0.00 173.24 173.30 1rkj s LEU 168 N -2.77 -0.62 0.36 2.44 2.34 -1.26 0.32 118.68 119.49 1rkj s LEU 168 Ca 0.30 0.72 0.08 0.00 0.06 0.00 0.00 54.13 55.29 1rkj s LEU 168 Cb -0.11 1.23 -0.05 0.00 -0.56 0.00 0.00 46.19 46.70 1rkj s LEU 168 CO 0.23 -0.25 0.09 -0.31 -1.06 0.00 0.00 176.35 175.05 1rkj s TYR 169 N 2.58 2.61 0.03 3.48 1.51 0.12 -4.95 117.35 122.72 1rkj s TYR 169 Ca 0.03 -0.47 -0.07 0.00 -1.01 0.00 0.00 57.07 55.56 1rkj s TYR 169 Cb -0.13 -1.66 -0.05 0.00 -0.11 0.00 0.00 41.96 40.01 1rkj s TYR 169 CO -0.13 0.36 0.30 1.52 -1.11 0.00 0.00 175.55 176.49 1rkj s TYR 170 N -2.52 3.57 -0.08 2.71 -0.85 -1.26 -0.88 117.35 118.05 1rkj s TYR 170 Ca 0.37 0.61 -0.02 0.00 -0.52 0.00 0.00 57.07 57.52 1rkj s TYR 170 Cb 0.01 -2.02 0.03 0.00 0.38 0.00 0.00 41.96 40.35 1rkj s TYR 170 CO 0.21 0.58 0.01 0.95 -1.52 0.00 0.00 175.55 175.79 1rkj s THR 171 N -1.34 0.32 0.00 -3.49 -4.23 0.13 -4.76 115.64 102.27 1rkj s THR 171 Ca 0.29 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 1rkj s THR 171 Cb -0.13 -0.51 0.00 0.00 1.34 0.00 0.00 72.50 73.19 1rkj s THR 171 CO 0.17 0.22 0.00 0.61 -0.54 0.00 0.00 174.62 175.08 1rkj n GLY 172 N 5.16 0.76 1.33 3.99 0.00 -1.04 -2.09 105.19 113.31 1rkj n GLY 172 Ca -0.07 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1rkj n GLY 172 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rkj n GLU 173 N 0.00 -3.57 0.07 1.61 2.13 0.70 -4.87 120.64 116.70 1rkj n GLU 173 Ca 0.00 2.61 0.00 0.00 0.66 0.00 0.00 57.16 60.43 1rkj n GLU 173 Cb 0.00 -2.81 0.00 0.00 0.27 0.00 0.00 31.44 28.90 1rkj n GLU 173 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1rkj n LYS 174 N 0.47 0.00 -0.93 5.31 5.02 -1.26 -5.01 118.16 121.75 1rkj n LYS 174 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1rkj n LYS 174 Cb 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.91 1rkj n LYS 174 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29