#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 -4.45 0.00 1.61 2.88 -1.26 -5.06 113.62 107.35 1rkj n SER 2 Ca 0.00 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1rkj n SER 2 Cb 0.00 -2.82 0.00 0.00 -0.75 0.00 0.00 64.21 60.64 1rkj n SER 2 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1rkj n HIS 3 N -1.35 0.00 -2.97 0.66 -0.00 -1.26 -5.01 115.22 105.30 1rkj n HIS 3 Ca -0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.54 1rkj n HIS 3 Cb 0.50 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.51 1rkj n HIS 3 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1rkj s MET 4 N 0.00 2.70 1.47 -0.41 -1.94 -1.26 -4.99 119.30 114.87 1rkj s MET 4 Ca 0.00 -1.25 0.00 0.00 -1.71 0.00 0.00 55.69 52.73 1rkj s MET 4 Cb 0.00 -2.71 0.00 0.00 2.01 0.00 0.00 34.83 34.13 1rkj s MET 4 CO 0.00 -0.43 0.00 0.28 -0.01 0.00 0.00 175.02 174.86 1rkj n VAL 5 N -1.98 0.00 -0.82 -6.03 0.31 -1.26 -3.57 118.33 104.98 1rkj n VAL 5 Ca 0.09 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.23 1rkj n VAL 5 Cb 0.59 -0.04 0.07 0.00 -0.91 0.00 0.00 33.84 33.56 1rkj n VAL 5 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1rkj n GLU 6 N -1.79 1.97 0.00 5.55 1.02 -1.26 -4.76 120.64 121.36 1rkj n GLU 6 Ca 0.00 -2.01 0.00 0.00 -0.02 0.00 0.00 57.16 55.13 1rkj n GLU 6 Cb 0.05 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 1rkj n GLU 6 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rkj n GLY 7 N -0.19 2.27 0.00 0.62 0.00 -1.23 -5.14 105.19 101.51 1rkj n GLY 7 Ca 0.39 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1rkj n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rkj n SER 8 N 0.00 0.00 -0.01 1.61 2.88 -1.25 -4.82 113.62 112.03 1rkj n SER 8 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1rkj n SER 8 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1rkj n SER 8 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1rkj n GLU 9 N 0.00 2.96 -3.07 -1.46 0.00 -1.26 -4.14 120.64 113.67 1rkj n GLU 9 Ca 0.00 -0.01 -0.40 0.00 0.00 0.00 0.00 57.16 56.76 1rkj n GLU 9 Cb 0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 31.44 30.37 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 -1.99 5.93 0.00 -1.84 7.64 -1.26 -4.97 113.62 117.13 1rkj n SER 10 Ca -0.03 -3.44 0.00 0.00 1.01 0.00 0.00 58.87 56.41 1rkj n SER 10 Cb 0.48 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 1rkj n SER 10 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1rkj n THR 11 N 1.14 0.00 -4.59 0.44 -2.24 -1.26 -4.55 114.28 103.21 1rkj n THR 11 Ca 0.28 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.81 1rkj n THR 11 Cb 0.34 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.43 1rkj n THR 11 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1rkj s THR 12 N 0.00 1.60 0.00 4.28 -1.32 -1.26 -4.96 115.64 113.98 1rkj s THR 12 Ca 0.00 -1.19 0.00 0.00 -1.21 0.00 0.00 61.69 59.29 1rkj s THR 12 Cb 0.00 -1.40 0.00 0.00 -1.51 0.00 0.00 72.50 69.59 1rkj s THR 12 CO 0.00 0.17 0.00 -0.81 -2.21 0.00 0.00 174.62 171.77 1rkj n PRO 13 N 1.82 0.70 -3.25 7.08 -0.04 -1.26 -4.74 135.00 135.32 1rkj n PRO 13 Ca -0.17 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.18 1rkj n PRO 13 Cb 0.53 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.03 1rkj n PRO 13 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1rkj n PHE 14 N -0.62 -2.60 -4.09 0.54 3.72 -1.26 -3.80 117.46 109.35 1rkj n PHE 14 Ca 0.00 0.93 -0.29 0.00 -0.05 0.00 0.00 57.45 58.04 1rkj n PHE 14 Cb 0.00 -3.98 -0.07 0.00 -0.94 0.00 0.00 39.48 34.50 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 -3.22 5.32 0.06 4.37 2.20 -1.26 0.22 114.94 122.63 1rkj s ASN 15 Ca 0.25 -0.12 -0.13 0.00 -0.94 0.00 0.00 52.86 51.91 1rkj s ASN 15 Cb -0.04 -1.35 0.02 0.00 -2.00 0.00 0.00 41.25 37.87 1rkj s ASN 15 CO 0.77 0.14 0.30 -0.22 -2.94 0.00 0.00 177.10 175.14 1rkj s LEU 16 N -2.61 0.90 -0.11 3.54 2.96 0.10 -4.62 118.68 118.84 1rkj s LEU 16 Ca 0.29 -0.27 -0.10 0.00 -0.22 0.00 0.00 54.13 53.83 1rkj s LEU 16 Cb -0.11 1.37 0.03 0.00 0.50 0.00 0.00 46.19 47.98 1rkj s LEU 16 CO 0.21 -0.66 0.30 0.72 -1.32 0.00 0.00 176.35 175.60 1rkj s PHE 17 N -2.87 -0.34 -0.07 5.38 -0.12 0.17 -0.96 117.98 119.16 1rkj s PHE 17 Ca -0.03 0.83 -0.08 0.00 -0.05 0.00 0.00 56.93 57.60 1rkj s PHE 17 Cb 0.00 0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.46 1rkj s PHE 17 CO -0.05 -0.18 0.22 0.42 -0.05 0.00 0.00 175.22 175.58 1rkj s ILE 18 N 0.38 5.37 0.48 -4.49 -1.09 -0.24 -1.90 121.20 119.71 1rkj s ILE 18 Ca -0.02 0.33 0.05 0.00 -2.23 0.00 0.00 60.65 58.78 1rkj s ILE 18 Cb -0.04 -3.50 -0.01 0.00 -1.58 0.00 0.00 42.46 37.33 1rkj s ILE 18 CO -0.02 0.56 0.20 -0.83 -1.23 0.00 0.00 174.94 173.63 1rkj s GLY 19 N -1.17 2.55 0.00 6.18 0.00 -0.92 -2.10 107.32 111.85 1rkj s GLY 19 Ca 0.19 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.56 1rkj s GLY 19 CO 0.08 -2.01 0.00 -2.01 0.00 0.00 0.00 173.10 169.17 1rkj n ASN 20 N -1.41 0.00 -3.33 1.64 5.15 -1.26 -1.76 115.26 114.28 1rkj n ASN 20 Ca -0.06 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.71 1rkj n ASN 20 Cb 0.65 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.92 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 -3.29 -3.21 1.20 4.77 -1.26 -4.28 117.00 110.93 1rkj n LEU 21 Ca 0.00 0.15 -0.22 0.00 -0.03 0.00 0.00 56.01 55.91 1rkj n LEU 21 Cb 0.00 -1.70 -0.14 0.00 -2.33 0.00 0.00 43.42 39.26 1rkj n LEU 21 CO 0.00 -0.79 1.54 -3.20 -1.33 0.00 0.00 177.39 173.61 1rkj n ASN 22 N 0.48 -0.45 -3.46 -1.43 5.15 -1.26 -4.71 115.26 109.59 1rkj n ASN 22 Ca -0.04 -0.14 -0.37 0.00 -0.60 0.00 0.00 54.58 53.43 1rkj n ASN 22 Cb 0.58 -0.51 -0.02 0.00 -0.53 0.00 0.00 39.78 39.29 1rkj n ASN 22 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1rkj n PRO 23 N 4.95 2.68 0.00 1.20 -0.04 -1.26 -4.33 135.00 138.20 1rkj n PRO 23 Ca 0.48 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 1rkj n PRO 23 Cb 0.06 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 30.64 1rkj n PRO 23 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1rkj n ASN 24 N 5.17 0.00 0.00 3.54 2.85 -1.26 -4.94 115.26 120.62 1rkj n ASN 24 Ca 0.58 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 55.05 1rkj n ASN 24 Cb 0.29 -0.08 0.00 0.00 1.24 0.00 0.00 39.78 41.23 1rkj n ASN 24 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1rkj n LYS 25 N -2.49 0.00 -3.15 1.20 5.02 -1.26 -4.83 118.16 112.65 1rkj n LYS 25 Ca 0.00 0.18 0.04 0.00 -2.02 0.00 0.00 58.31 56.51 1rkj n LYS 25 Cb 0.00 -0.96 -0.00 0.00 -0.02 0.00 0.00 35.03 34.05 1rkj n LYS 25 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1rkj s SER 26 N -2.39 -1.56 0.14 4.39 0.01 -1.26 -5.04 113.70 107.98 1rkj s SER 26 Ca 0.00 0.28 -0.27 0.00 1.31 0.00 0.00 55.95 57.26 1rkj s SER 26 Cb 0.00 2.03 -0.06 0.00 0.21 0.00 0.00 66.02 68.20 1rkj s SER 26 CO 0.00 -0.29 1.36 0.55 0.41 0.00 0.00 173.24 175.28 1rkj n VAL 27 N 5.41 -0.60 -0.24 3.43 3.14 -1.26 -0.29 118.33 127.92 1rkj n VAL 27 Ca 0.04 2.14 -0.06 0.00 -2.96 0.00 0.00 64.34 63.50 1rkj n VAL 27 Cb 0.54 -2.65 -0.06 0.00 -1.06 0.00 0.00 33.84 30.61 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 -3.33 -0.36 -0.02 1.55 0.00 -1.26 0.13 120.51 117.22 1rkj n ALA 28 Ca 0.02 0.48 -0.10 0.00 0.00 0.00 0.00 53.44 53.84 1rkj n ALA 28 Cb 0.23 -0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.33 -0.87 0.00 4.39 -1.08 -2.07 114.58 114.62 1rkj h GLU 29 Ca 0.09 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.90 1rkj h GLU 29 Cb 0.23 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 28.84 1rkj h GLU 29 CO -0.53 -0.22 -0.48 1.28 -1.16 0.00 0.00 179.01 177.90 1rkj n LEU 30 N -5.40 -0.85 -0.17 1.33 4.77 0.35 0.80 117.00 117.84 1rkj n LEU 30 Ca -0.02 1.55 -0.02 0.00 -0.03 0.00 0.00 56.01 57.48 1rkj n LEU 30 Cb 0.31 -0.23 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 1rkj n LEU 30 CO 0.15 -1.29 0.78 0.07 -1.33 0.00 0.00 177.39 175.78 1rkj h LYS 31 N 0.00 0.03 0.90 3.23 2.10 -0.77 -2.45 116.57 119.61 1rkj h LYS 31 Ca 0.17 -0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.78 1rkj h LYS 31 Cb 0.39 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 31.72 1rkj h LYS 31 CO -0.83 0.02 -0.43 0.28 -2.00 0.00 0.00 179.45 176.48 1rkj h VAL 32 N 0.03 0.00 -0.63 0.07 2.07 0.83 -1.84 116.25 116.78 1rkj h VAL 32 Ca 0.25 -0.06 0.10 0.00 0.82 0.00 0.00 66.70 67.82 1rkj h VAL 32 Cb 0.39 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.06 1rkj h VAL 32 CO -0.51 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 176.85 1rkj n ALA 33 N -2.65 -0.05 -0.29 1.67 0.00 0.17 0.36 120.51 119.72 1rkj n ALA 33 Ca -0.15 0.63 -0.06 0.00 0.00 0.00 0.00 53.44 53.87 1rkj n ALA 33 Cb 0.48 -0.30 0.06 0.00 0.00 0.00 0.00 19.45 19.70 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 1.26 -0.26 0.00 6.09 -1.36 -1.87 117.51 121.36 1rkj h ILE 34 Ca 0.23 -0.84 0.05 0.00 -1.37 0.00 0.00 64.86 62.93 1rkj h ILE 34 Cb 0.39 0.32 -0.04 0.00 0.47 0.00 0.00 36.82 37.95 1rkj h ILE 34 CO -0.63 0.34 -0.02 0.77 -3.07 0.00 0.00 178.15 175.54 1rkj h SER 35 N 1.16 -0.15 -0.99 2.19 4.64 0.71 0.45 113.55 121.56 1rkj h SER 35 Ca 0.26 0.07 0.08 0.00 -0.47 0.00 0.00 61.79 61.73 1rkj h SER 35 Cb 0.23 0.13 -0.07 0.00 -0.31 0.00 0.00 62.40 62.37 1rkj h SER 35 CO -0.02 -0.05 0.64 -0.33 -0.87 0.00 0.00 176.83 176.20 1rkj h GLU 36 N 0.05 1.09 0.52 4.77 4.39 0.22 -0.21 114.58 125.41 1rkj h GLU 36 Ca 0.12 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 1rkj h GLU 36 Cb 0.17 -0.24 0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1rkj h GLU 36 CO -0.23 0.72 -0.25 1.25 -1.16 0.00 0.00 179.01 179.34 1rkj h LEU 37 N 1.12 -0.59 -1.55 1.33 7.12 -0.38 -2.47 115.31 119.88 1rkj h LEU 37 Ca 0.45 -0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.40 1rkj h LEU 37 Cb 0.25 0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.53 1rkj h LEU 37 CO -0.20 -0.21 0.23 -0.26 -0.13 0.00 0.00 178.44 177.88 1rkj h PHE 38 N -1.06 0.00 0.00 1.25 0.04 0.15 0.25 116.94 117.57 1rkj h PHE 38 Ca -0.07 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 1rkj h PHE 38 Cb 0.61 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.76 1rkj h PHE 38 CO 0.01 0.00 -0.02 0.00 -0.60 0.00 0.00 178.31 177.70 1rkj h ALA 39 N 1.46 0.00 -0.10 2.45 0.00 -0.78 -3.34 119.26 118.95 1rkj h ALA 39 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1rkj h ALA 39 Cb 0.46 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1rkj h ALA 39 CO 0.00 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.90 1rkj n LYS 40 N -4.73 1.29 -0.72 0.00 5.02 -0.74 -3.45 118.16 114.82 1rkj n LYS 40 Ca -0.03 -0.44 0.01 0.00 -2.02 0.00 0.00 58.31 55.84 1rkj n LYS 40 Cb 0.12 -1.22 0.27 0.00 -0.02 0.00 0.00 35.03 34.18 1rkj n LYS 40 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1rkj n ASN 41 N -0.25 3.96 -0.79 4.39 4.13 0.79 -5.07 115.26 122.42 1rkj n ASN 41 Ca 0.10 -3.24 0.00 0.00 1.68 0.00 0.00 54.58 53.11 1rkj n ASN 41 Cb 0.14 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 37.74 1rkj n ASN 41 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1rkj n ASP 42 N -0.49 -5.09 0.00 6.41 5.68 -1.22 -4.77 116.55 117.07 1rkj n ASP 42 Ca 0.30 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.59 1rkj n ASP 42 Cb 1.10 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.08 1rkj n ASP 42 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rkj n LEU 43 N 0.00 0.00 -3.06 -2.12 -0.00 -1.26 -4.50 117.00 106.05 1rkj n LEU 43 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.75 1rkj n LEU 43 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.44 1rkj n LEU 43 CO 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 177.39 177.19 1rkj n ALA 44 N 0.16 -2.08 -1.59 1.47 0.00 -1.26 -3.99 120.51 113.21 1rkj n ALA 44 Ca 0.00 0.10 -0.56 0.00 0.00 0.00 0.00 53.44 52.98 1rkj n ALA 44 Cb 0.00 -1.27 -0.07 0.00 0.00 0.00 0.00 19.45 18.11 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 -0.78 0.04 -0.07 0.00 3.14 -1.26 -4.55 118.33 114.85 1rkj n VAL 45 Ca -0.12 -0.01 -0.14 0.00 -2.96 0.00 0.00 64.34 61.11 1rkj n VAL 45 Cb 0.51 -0.64 -0.06 0.00 -1.06 0.00 0.00 33.84 32.59 1rkj n VAL 45 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 1rkj n VAL 46 N 2.63 0.81 -3.61 1.55 0.24 -1.12 -4.98 118.33 113.84 1rkj n VAL 46 Ca 0.21 -0.24 -0.37 0.00 -2.04 0.00 0.00 64.34 61.91 1rkj n VAL 46 Cb 0.14 -1.49 -0.09 0.00 -1.47 0.00 0.00 33.84 30.93 1rkj n VAL 46 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1rkj s ASP 47 N -6.04 6.22 -0.38 -1.34 2.15 -0.90 -4.97 116.67 111.41 1rkj s ASP 47 Ca -0.20 0.24 0.01 0.00 0.43 0.00 0.00 52.55 53.03 1rkj s ASP 47 Cb 0.07 -2.13 0.12 0.00 -0.30 0.00 0.00 42.92 40.68 1rkj s ASP 47 CO 0.28 0.06 0.17 -0.69 -0.17 0.00 0.00 175.17 174.82 1rkj s VAL 48 N 0.94 1.21 -0.08 1.11 1.01 -1.26 -1.01 120.40 122.32 1rkj s VAL 48 Ca 0.10 -2.06 0.02 0.00 0.00 0.00 0.00 61.98 60.05 1rkj s VAL 48 Cb -0.13 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.38 1rkj s VAL 48 CO 0.04 -0.79 -0.15 -0.13 0.00 0.00 0.00 175.10 174.07 1rkj s ARG 49 N 0.91 2.05 0.12 2.72 0.52 -0.49 -5.01 118.95 119.76 1rkj s ARG 49 Ca 0.14 -0.52 0.02 0.00 -0.52 0.00 0.00 55.73 54.85 1rkj s ARG 49 Cb -0.21 -1.68 -0.04 0.00 0.52 0.00 0.00 34.95 33.54 1rkj s ARG 49 CO -0.10 0.02 0.22 0.99 0.02 0.00 0.00 175.30 176.46 1rkj s THR 50 N 0.72 5.18 -0.96 0.02 2.01 -1.26 0.26 115.64 121.61 1rkj s THR 50 Ca -0.13 -0.64 -0.20 0.00 0.31 0.00 0.00 61.69 61.03 1rkj s THR 50 Cb -0.16 -3.61 0.11 0.00 0.01 0.00 0.00 72.50 68.85 1rkj s THR 50 CO 0.03 0.00 1.22 -0.83 -0.69 0.00 0.00 174.62 174.36 1rkj s GLY 51 N -2.91 1.74 0.00 4.40 0.00 0.20 -4.76 107.32 105.99 1rkj s GLY 51 Ca 0.34 -2.63 0.00 0.00 0.00 0.00 0.00 44.72 42.43 1rkj s GLY 51 CO 0.27 2.21 0.00 2.41 0.00 0.00 0.00 173.10 177.99 1rkj n THR 52 N 5.90 0.00 0.00 0.90 -1.04 -1.26 -1.50 114.28 117.28 1rkj n THR 52 Ca 0.27 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 1rkj n THR 52 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 1rkj n THR 52 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1rkj n ASN 53 N 5.07 0.00 0.00 8.00 2.85 -1.26 -4.95 115.26 124.97 1rkj n ASN 53 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1rkj n ASN 53 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1rkj n ASN 53 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1rkj n ARG 54 N 0.00 0.00 0.26 1.20 1.74 -1.22 -4.90 116.66 113.74 1rkj n ARG 54 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 1rkj n ARG 54 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 1rkj n ARG 54 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1rkj h LYS 55 N 0.00 -0.66 -3.65 5.56 1.63 -1.63 -3.49 116.57 114.34 1rkj h LYS 55 Ca 0.00 0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 59.71 1rkj h LYS 55 Cb 0.00 0.15 -0.06 0.00 -0.60 0.00 0.00 32.23 31.72 1rkj h LYS 55 CO 0.00 -0.44 -0.03 -0.59 -3.45 0.00 0.00 179.45 174.94 1rkj s PHE 56 N -4.19 0.56 -0.29 1.91 -0.71 -1.02 -4.70 117.98 109.55 1rkj s PHE 56 Ca -0.10 -0.95 0.02 0.00 -1.04 0.00 0.00 56.93 54.86 1rkj s PHE 56 Cb 0.01 0.27 0.08 0.00 -1.21 0.00 0.00 43.02 42.17 1rkj s PHE 56 CO 0.30 -1.21 -0.00 0.20 -1.34 0.00 0.00 175.22 173.17 1rkj s GLY 57 N -3.12 1.58 -0.03 1.99 0.00 -0.89 0.61 107.32 107.45 1rkj s GLY 57 Ca 0.23 -1.93 -0.08 0.00 0.00 0.00 0.00 44.72 42.94 1rkj s GLY 57 CO 0.14 0.97 0.26 -0.19 0.00 0.00 0.00 173.10 174.28 1rkj s TYR 58 N 1.18 3.61 -0.18 1.90 2.02 0.14 -1.08 117.35 124.95 1rkj s TYR 58 Ca 0.02 0.64 -0.25 0.00 -0.37 0.00 0.00 57.07 57.12 1rkj s TYR 58 Cb -0.19 -2.03 0.06 0.00 -0.40 0.00 0.00 41.96 39.40 1rkj s TYR 58 CO -0.09 0.66 0.65 0.54 -1.57 0.00 0.00 175.55 175.73 1rkj s VAL 59 N -1.17 0.00 0.05 0.71 0.11 -0.13 -1.40 120.40 118.57 1rkj s VAL 59 Ca 0.23 -0.02 0.09 0.00 -2.93 0.00 0.00 61.98 59.34 1rkj s VAL 59 Cb -0.13 -0.93 -0.03 0.00 -1.53 0.00 0.00 36.38 33.76 1rkj s VAL 59 CO 0.12 -0.01 -0.25 -0.62 -3.33 0.00 0.00 175.10 171.00 1rkj s ASP 60 N -0.15 2.99 0.48 3.54 -1.08 -0.18 0.02 116.67 122.29 1rkj s ASP 60 Ca -0.04 -0.58 0.08 0.00 -0.52 0.00 0.00 52.55 51.49 1rkj s ASP 60 Cb -0.03 -0.26 0.02 0.00 -1.46 0.00 0.00 42.92 41.18 1rkj s ASP 60 CO 0.04 0.23 0.49 -0.36 0.52 0.00 0.00 175.17 176.09 1rkj s PHE 61 N -0.82 2.20 -0.22 -5.34 0.08 0.13 -2.12 117.98 111.90 1rkj s PHE 61 Ca 0.11 -0.61 0.12 0.00 0.12 0.00 0.00 56.93 56.67 1rkj s PHE 61 Cb -0.10 -2.15 0.44 0.00 -0.57 0.00 0.00 43.02 40.64 1rkj s PHE 61 CO 0.02 -0.46 1.20 -0.85 -0.10 0.00 0.00 175.22 175.04 1rkj n GLU 62 N -1.78 2.07 -3.64 0.44 -0.00 -1.26 -4.31 120.64 112.17 1rkj n GLU 62 Ca 0.05 -3.46 -0.07 0.00 -0.00 0.00 0.00 57.16 53.68 1rkj n GLU 62 Cb 0.62 -1.67 -0.07 0.00 -0.00 0.00 0.00 31.44 30.32 1rkj n GLU 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1rkj s SER 63 N -3.26 -0.31 -0.05 -1.84 0.15 -1.26 -5.05 113.70 102.07 1rkj s SER 63 Ca 0.41 0.58 -0.19 0.00 0.70 0.00 0.00 55.95 57.45 1rkj s SER 63 Cb 0.38 0.58 -0.14 0.00 -1.71 0.00 0.00 66.02 65.13 1rkj s SER 63 CO -0.04 -0.11 0.77 0.00 1.20 0.00 0.00 173.24 175.06 1rkj h ALA 64 N 3.73 -0.26 0.15 5.45 0.00 -1.95 -3.08 119.26 123.30 1rkj h ALA 64 Ca -0.27 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.45 1rkj h ALA 64 Cb 1.18 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 1rkj h ALA 64 CO 0.14 -0.31 -0.52 1.49 0.00 0.00 0.00 179.25 180.05 1rkj h GLU 65 N -0.92 -0.74 -0.81 0.00 4.57 -1.99 -1.98 114.58 112.70 1rkj h GLU 65 Ca -0.03 0.05 0.15 0.00 -1.18 0.00 0.00 59.36 58.36 1rkj h GLU 65 Cb 0.49 0.17 -0.15 0.00 -0.16 0.00 0.00 28.75 29.10 1rkj h GLU 65 CO 0.04 -0.49 -0.27 -0.44 -1.18 0.00 0.00 179.01 176.67 1rkj h ASP 66 N -0.77 -1.00 -0.38 1.04 3.32 -1.98 0.17 116.42 116.82 1rkj h ASP 66 Ca -0.01 0.26 0.08 0.00 0.02 0.00 0.00 57.03 57.38 1rkj h ASP 66 Cb 0.77 0.58 -0.07 0.00 0.22 0.00 0.00 39.33 40.82 1rkj h ASP 66 CO -0.27 -0.29 -0.10 0.25 -1.72 0.00 0.00 179.24 177.11 1rkj h LEU 67 N -0.04 -0.38 -1.79 1.55 6.46 -1.32 0.90 115.31 120.70 1rkj h LEU 67 Ca 0.35 0.12 0.13 0.00 -0.12 0.00 0.00 57.88 58.36 1rkj h LEU 67 Cb 0.60 0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.74 1rkj h LEU 67 CO -0.85 -0.13 0.40 -0.08 -0.62 0.00 0.00 178.44 177.15 1rkj h GLU 68 N -0.01 0.22 0.22 1.25 4.81 0.02 -1.41 114.58 119.68 1rkj h GLU 68 Ca 0.18 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1rkj h GLU 68 Cb 0.29 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1rkj h GLU 68 CO -0.40 0.15 -0.10 -0.22 -0.73 0.00 0.00 179.01 177.70 1rkj h LYS 69 N 0.23 -0.28 -0.78 1.92 3.64 0.05 -1.24 116.57 120.10 1rkj h LYS 69 Ca 0.27 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.83 1rkj h LYS 69 Cb 0.77 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.60 1rkj h LYS 69 CO -0.05 0.10 0.52 0.00 -2.27 0.00 0.00 179.45 177.75 1rkj h ALA 70 N -0.28 2.13 -0.02 5.00 0.00 -0.71 -1.68 119.26 123.69 1rkj h ALA 70 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1rkj h ALA 70 Cb 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1rkj h ALA 70 CO 0.05 -0.34 -0.11 1.25 0.00 0.00 0.00 179.25 180.09 1rkj h LEU 71 N 0.42 0.14 -0.63 0.00 7.12 -1.26 -3.28 115.31 117.81 1rkj h LEU 71 Ca 0.39 -0.67 0.13 0.00 0.13 0.00 0.00 57.88 57.86 1rkj h LEU 71 Cb 0.90 -0.04 -0.10 0.00 -0.53 0.00 0.00 40.66 40.88 1rkj h LEU 71 CO -0.13 0.78 0.03 -0.08 -0.13 0.00 0.00 178.44 178.92 1rkj h GLU 72 N -0.50 0.14 -6.34 1.25 4.81 -0.33 -3.39 114.58 110.22 1rkj h GLU 72 Ca -0.01 -0.01 -0.54 0.00 -0.13 0.00 0.00 59.36 58.67 1rkj h GLU 72 Cb 0.78 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.14 1rkj h GLU 72 CO 0.02 0.09 1.10 -0.51 -0.73 0.00 0.00 179.01 178.98 1rkj s LEU 73 N -10.66 4.36 0.00 1.64 1.02 -0.83 -5.00 118.68 109.22 1rkj s LEU 73 Ca -0.13 2.41 0.00 0.00 0.02 0.00 0.00 54.13 56.43 1rkj s LEU 73 Cb 0.19 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.86 1rkj s LEU 73 CO 0.74 -0.94 0.00 0.41 0.02 0.00 0.00 176.35 176.58 1rkj n THR 74 N 5.27 0.00 -2.48 5.49 -1.04 -1.26 -4.33 114.28 115.93 1rkj n THR 74 Ca 0.17 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.13 1rkj n THR 74 Cb 0.42 -1.33 -0.00 0.00 -1.82 0.00 0.00 70.33 67.60 1rkj n THR 74 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rkj n GLY 75 N 4.21 -0.50 0.00 3.41 0.00 -1.26 -4.74 105.19 106.31 1rkj n GLY 75 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1rkj n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rkj n LEU 76 N -2.64 0.00 0.00 0.99 7.99 -1.26 -4.78 117.00 117.31 1rkj n LEU 76 Ca -0.06 0.02 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 1rkj n LEU 76 Cb 0.55 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.84 1rkj n LEU 76 CO 0.08 -0.01 0.00 2.29 -1.51 0.00 0.00 177.39 178.24 1rkj n LYS 77 N -1.02 1.89 -0.03 3.23 0.00 -1.26 -4.93 118.16 116.04 1rkj n LYS 77 Ca 0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.43 1rkj n LYS 77 Cb 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.09 1rkj n LYS 77 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1rkj n VAL 78 N -0.41 0.31 0.00 0.58 0.24 -1.26 -4.76 118.33 113.03 1rkj n VAL 78 Ca 0.00 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 1rkj n VAL 78 Cb 0.00 -0.82 0.00 0.00 -1.47 0.00 0.00 33.84 31.55 1rkj n VAL 78 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1rkj n PHE 79 N -2.75 0.00 0.00 6.34 3.01 -1.26 -4.98 117.46 117.82 1rkj n PHE 79 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1rkj n PHE 79 Cb 0.60 0.29 0.00 0.00 -0.01 0.00 0.00 39.48 40.36 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 1.57 -0.08 0.05 1.37 0.00 -1.26 -5.04 105.19 101.80 1rkj n GLY 80 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1rkj n GLY 80 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rkj n ASN 81 N 0.00 0.68 -1.52 1.61 3.02 -1.26 -5.13 115.26 112.66 1rkj n ASN 81 Ca 0.00 -1.46 0.10 0.00 -0.03 0.00 0.00 54.58 53.19 1rkj n ASN 81 Cb 0.00 -0.04 -0.05 0.00 -0.61 0.00 0.00 39.78 39.08 1rkj n ASN 81 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rkj n GLU 82 N -0.21 -3.67 -4.20 3.52 -0.58 -1.26 -4.84 120.64 109.41 1rkj n GLU 82 Ca 0.01 2.93 -0.16 0.00 -0.42 0.00 0.00 57.16 59.52 1rkj n GLU 82 Cb 0.45 -3.95 -0.08 0.00 -0.57 0.00 0.00 31.44 27.30 1rkj n GLU 82 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1rkj s ILE 83 N -4.84 0.00 0.26 -3.67 -4.36 -1.26 -4.51 121.20 102.81 1rkj s ILE 83 Ca 0.00 -1.88 0.05 0.00 -0.26 0.00 0.00 60.65 58.56 1rkj s ILE 83 Cb 0.00 -2.51 -0.03 0.00 1.25 0.00 0.00 42.46 41.17 1rkj s ILE 83 CO 0.00 0.00 0.39 -0.54 0.24 0.00 0.00 174.94 175.03 1rkj s LYS 84 N -3.57 3.39 -0.14 0.37 1.02 -0.72 -4.89 119.74 115.19 1rkj s LYS 84 Ca 0.37 -0.78 0.01 0.00 0.02 0.00 0.00 55.97 55.59 1rkj s LYS 84 Cb 0.03 -2.87 0.02 0.00 -0.52 0.00 0.00 37.83 34.49 1rkj s LYS 84 CO 0.21 0.36 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.33 1rkj s LEU 85 N -4.02 1.80 -0.19 3.17 1.43 -1.26 -2.16 118.68 117.45 1rkj s LEU 85 Ca 0.36 -0.51 -0.28 0.00 -1.03 0.00 0.00 54.13 52.66 1rkj s LEU 85 Cb -0.09 -1.23 0.12 0.00 0.03 0.00 0.00 46.19 45.01 1rkj s LEU 85 CO 0.30 -0.02 0.95 -1.61 0.23 0.00 0.00 176.35 176.20 1rkj s GLU 86 N 1.30 0.64 0.53 1.70 2.02 -0.80 -5.00 118.70 119.09 1rkj s GLU 86 Ca 0.02 0.33 0.07 0.00 0.02 0.00 0.00 54.97 55.40 1rkj s GLU 86 Cb -0.13 0.30 0.06 0.00 0.10 0.00 0.00 34.13 34.46 1rkj s GLU 86 CO -0.09 -0.16 0.74 -1.59 0.02 0.00 0.00 175.26 174.18 1rkj s LYS 87 N -0.66 2.44 0.10 1.61 -2.85 -1.26 0.45 119.74 119.58 1rkj s LYS 87 Ca -0.01 -1.31 -0.31 0.00 -1.00 0.00 0.00 55.97 53.34 1rkj s LYS 87 Cb -0.02 -2.62 -0.07 0.00 -2.06 0.00 0.00 37.83 33.06 1rkj s LYS 87 CO 0.00 -0.71 1.23 -1.25 0.10 0.00 0.00 175.35 174.73 1rkj s PRO 88 N -4.63 4.43 0.76 1.78 0.04 -1.26 -4.80 135.00 131.31 1rkj s PRO 88 Ca 0.59 1.84 -0.13 0.00 0.04 0.00 0.00 61.00 63.35 1rkj s PRO 88 Cb -0.08 -3.30 0.18 0.00 0.04 0.00 0.00 34.50 31.33 1rkj s PRO 88 CO 0.37 -0.24 0.93 1.63 0.04 0.00 0.00 177.00 179.73 1rkj n LYS 89 N 3.58 -1.32 -4.00 4.56 5.02 -1.26 -5.07 118.16 119.67 1rkj n LYS 89 Ca 0.08 -1.45 -0.24 0.00 -2.02 0.00 0.00 58.31 54.69 1rkj n LYS 89 Cb 0.45 -1.04 -0.06 0.00 -0.02 0.00 0.00 35.03 34.36 1rkj n LYS 89 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1rkj s GLY 90 N -4.85 2.29 0.00 0.72 0.00 -1.26 -4.82 107.32 99.40 1rkj s GLY 90 Ca 0.54 -2.06 0.00 0.00 0.00 0.00 0.00 44.72 43.20 1rkj s GLY 90 CO 0.39 -1.86 0.00 -2.13 0.00 0.00 0.00 173.10 169.50 1rkj n ARG 91 N -1.31 0.00 0.00 2.90 3.00 -1.26 -4.80 116.66 115.19 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 0.64 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.10 1rkj n ARG 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1rkj n ASP 92 N 4.24 0.00 -3.46 6.15 2.03 -1.26 -5.03 116.55 119.22 1rkj n ASP 92 Ca 0.00 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.11 1rkj n ASP 92 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 1rkj n ASP 92 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1rkj n SER 93 N 0.00 -6.02 0.00 1.67 2.88 -1.26 -4.73 113.62 106.16 1rkj n SER 93 Ca 0.00 -0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.13 1rkj n SER 93 Cb 0.00 -2.92 0.00 0.00 -0.75 0.00 0.00 64.21 60.54 1rkj n SER 93 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1rkj n LYS 94 N -1.62 0.00 -0.01 -1.46 3.00 -1.26 -4.94 118.16 111.88 1rkj n LYS 94 Ca -0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.13 1rkj n LYS 94 Cb 0.62 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.64 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 0.07 0.00 1.64 3.00 -1.26 -4.70 118.16 116.90 1rkj n LYS 95 Ca 0.00 0.03 0.14 0.00 -0.00 0.00 0.00 58.31 58.48 1rkj n LYS 95 Cb 0.00 -0.61 0.61 0.00 0.00 0.00 0.00 35.03 35.03 1rkj n LYS 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1rkj n VAL 96 N -3.24 0.00 -0.23 3.15 0.31 -1.26 -4.08 118.33 112.98 1rkj n VAL 96 Ca -0.05 -0.00 0.23 0.00 -0.01 0.00 0.00 64.34 64.50 1rkj n VAL 96 Cb 0.45 -0.48 0.42 0.00 -0.91 0.00 0.00 33.84 33.31 1rkj n VAL 96 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1rkj n ARG 97 N -1.50 -0.04 0.40 5.55 0.00 -1.26 0.52 116.66 120.33 1rkj n ARG 97 Ca 0.07 1.00 -0.18 0.00 -0.00 0.00 0.00 57.85 58.74 1rkj n ARG 97 Cb 0.34 -1.78 -0.09 0.00 -0.00 0.00 0.00 32.46 30.93 1rkj n ARG 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1rkj h ALA 98 N 1.44 -1.02 0.00 2.89 0.00 -1.88 -3.43 119.26 117.26 1rkj h ALA 98 Ca 0.61 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1rkj h ALA 98 Cb 1.60 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1rkj h ALA 98 CO -0.56 -1.02 0.00 0.00 0.00 0.00 0.00 179.25 177.67 1rkj n ALA 99 N -2.60 0.00 -3.57 0.00 0.00 0.18 -1.88 120.51 112.64 1rkj n ALA 99 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.02 1rkj n ALA 99 Cb 0.41 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.75 1rkj n ALA 99 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1rkj s ARG 100 N 0.00 1.37 0.31 0.00 1.70 -1.26 -3.93 118.95 117.15 1rkj s ARG 100 Ca 0.00 -2.42 0.04 0.00 -0.47 0.00 0.00 55.73 52.88 1rkj s ARG 100 Cb 0.00 -2.08 -0.03 0.00 -0.57 0.00 0.00 34.95 32.27 1rkj s ARG 100 CO 0.00 -1.33 0.18 -0.08 -1.08 0.00 0.00 175.30 172.99 1rkj s THR 101 N -0.30 0.25 -0.06 4.99 -1.32 -0.79 -1.73 115.64 116.69 1rkj s THR 101 Ca 0.28 -2.00 -0.04 0.00 -1.21 0.00 0.00 61.69 58.72 1rkj s THR 101 Cb -0.03 -2.49 0.02 0.00 -1.51 0.00 0.00 72.50 68.49 1rkj s THR 101 CO -0.16 0.00 0.14 -0.22 -2.21 0.00 0.00 174.62 172.18 1rkj s LEU 102 N -3.38 1.22 -0.19 9.08 2.96 0.22 -1.27 118.68 127.32 1rkj s LEU 102 Ca 0.36 0.29 -0.12 0.00 -0.22 0.00 0.00 54.13 54.44 1rkj s LEU 102 Cb 0.04 0.45 -0.05 0.00 0.50 0.00 0.00 46.19 47.14 1rkj s LEU 102 CO 0.19 -0.08 0.23 -0.22 -1.32 0.00 0.00 176.35 175.15 1rkj s LEU 103 N 0.43 4.19 -0.28 -0.68 2.96 0.20 0.40 118.68 125.90 1rkj s LEU 103 Ca -0.03 0.35 -0.11 0.00 -0.22 0.00 0.00 54.13 54.12 1rkj s LEU 103 Cb -0.04 -2.26 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 1rkj s LEU 103 CO -0.02 0.09 0.18 0.00 -1.32 0.00 0.00 176.35 175.28 1rkj s ALA 104 N 0.67 3.50 -0.16 5.97 0.00 0.12 -1.09 121.76 130.78 1rkj s ALA 104 Ca 0.13 -1.10 -0.10 0.00 0.00 0.00 0.00 51.96 50.88 1rkj s ALA 104 Cb -0.13 -2.45 -0.05 0.00 0.00 0.00 0.00 23.12 20.49 1rkj s ALA 104 CO 0.03 -0.56 0.18 0.15 0.00 0.00 0.00 175.76 175.56 1rkj s LYS 105 N 1.75 4.00 0.00 0.00 3.01 0.19 -1.55 119.74 127.14 1rkj s LYS 105 Ca 0.07 -0.10 0.00 0.00 -1.01 0.00 0.00 55.97 54.93 1rkj s LYS 105 Cb -0.16 -3.35 0.00 0.00 -1.01 0.00 0.00 37.83 33.31 1rkj s LYS 105 CO 0.10 0.43 0.00 -1.71 0.51 0.00 0.00 175.35 174.68 1rkj n ASN 106 N 3.05 -0.64 -3.84 2.83 5.15 -0.94 -1.85 115.26 119.02 1rkj n ASN 106 Ca -0.16 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.52 1rkj n ASN 106 Cb 0.53 -0.32 -0.09 0.00 -0.53 0.00 0.00 39.78 39.36 1rkj n ASN 106 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1rkj n LEU 107 N -0.03 3.66 -4.49 1.20 7.99 -1.12 -4.79 117.00 119.41 1rkj n LEU 107 Ca 0.00 -5.25 -0.42 0.00 -0.01 0.00 0.00 56.01 50.33 1rkj n LEU 107 Cb 0.00 -0.85 -0.15 0.00 -0.11 0.00 0.00 43.42 42.32 1rkj n LEU 107 CO 0.00 1.78 2.21 -0.24 -1.51 0.00 0.00 177.39 179.63 1rkj n SER 108 N 1.74 0.31 -3.95 -1.43 2.88 -1.26 -4.54 113.62 107.38 1rkj n SER 108 Ca 0.23 0.19 -0.22 0.00 -1.33 0.00 0.00 58.87 57.75 1rkj n SER 108 Cb 0.37 -0.92 -0.19 0.00 -0.75 0.00 0.00 64.21 62.71 1rkj n SER 108 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1rkj n PHE 109 N 10.43 0.07 0.00 0.66 -1.74 -1.26 -1.11 117.46 124.51 1rkj n PHE 109 Ca 0.66 0.05 0.00 0.00 -0.56 0.00 0.00 57.45 57.59 1rkj n PHE 109 Cb 0.03 -0.67 0.00 0.00 1.52 0.00 0.00 39.48 40.36 1rkj n PHE 109 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 1rkj n ASN 110 N 5.44 0.00 0.00 5.98 4.13 -1.26 -5.05 115.26 124.50 1rkj n ASN 110 Ca 0.59 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.85 1rkj n ASN 110 Cb 0.11 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.35 1rkj n ASN 110 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1rkj n ILE 111 N 0.00 0.00 -3.85 2.41 2.08 -0.27 -5.03 119.36 114.71 1rkj n ILE 111 Ca 0.00 0.66 0.00 0.00 0.56 0.00 0.00 62.75 63.97 1rkj n ILE 111 Cb 0.00 -1.36 0.00 0.00 -0.75 0.00 0.00 39.64 37.53 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 -1.19 0.00 0.21 1.39 -2.24 -1.26 -3.74 114.28 107.45 1rkj n THR 112 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 1rkj n THR 112 Cb 0.00 0.00 0.74 0.00 -2.10 0.00 0.00 70.33 68.97 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 0.00 -0.78 5.08 -1.97 -3.17 114.58 113.74 1rkj h GLU 113 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1rkj h GLU 113 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1rkj h GLU 113 CO 0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 1rkj n ASP 114 N -2.47 0.00 -0.19 1.42 8.00 -1.25 0.94 116.55 123.00 1rkj n ASP 114 Ca -0.02 0.63 -0.08 0.00 0.71 0.00 0.00 54.79 56.03 1rkj n ASP 114 Cb 0.08 -0.13 0.02 0.00 -0.02 0.00 0.00 41.12 41.06 1rkj n ASP 114 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1rkj h GLU 115 N 0.00 0.85 0.00 -1.24 4.39 -1.80 -1.68 114.58 115.11 1rkj h GLU 115 Ca 0.00 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1rkj h GLU 115 Cb 0.00 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1rkj h GLU 115 CO 0.00 0.79 0.00 1.28 -1.16 0.00 0.00 179.01 179.92 1rkj n LEU 116 N -4.44 0.00 -0.39 1.33 4.32 -1.05 0.12 117.00 116.89 1rkj n LEU 116 Ca 0.02 0.63 0.36 0.00 -0.02 0.00 0.00 56.01 57.01 1rkj n LEU 116 Cb 0.21 -0.13 0.72 0.00 -1.62 0.00 0.00 43.42 42.60 1rkj n LEU 116 CO 0.40 -0.13 1.33 0.07 -1.22 0.00 0.00 177.39 177.83 1rkj h LYS 117 N 0.00 0.06 0.00 3.23 2.10 0.47 -2.15 116.57 120.28 1rkj h LYS 117 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1rkj h LYS 117 Cb 0.00 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 1rkj h LYS 117 CO 0.00 0.04 0.00 -1.91 -2.00 0.00 0.00 179.45 175.58 1rkj n GLU 118 N -4.24 0.00 -0.43 0.07 0.00 -0.63 -2.18 120.64 113.23 1rkj n GLU 118 Ca 0.29 0.09 0.35 0.00 0.00 0.00 0.00 57.16 57.89 1rkj n GLU 118 Cb 1.33 -1.02 0.56 0.00 0.00 0.00 0.00 31.44 32.31 1rkj n GLU 118 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1rkj n VAL 119 N -0.78 -0.12 -3.48 6.31 0.31 0.12 -4.29 118.33 116.40 1rkj n VAL 119 Ca 0.00 1.27 -0.19 0.00 -0.01 0.00 0.00 64.34 65.41 1rkj n VAL 119 Cb 0.00 -2.10 0.02 0.00 -0.91 0.00 0.00 33.84 30.85 1rkj n VAL 119 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1rkj n PHE 120 N -3.91 -1.47 -0.79 3.52 3.72 -0.86 -4.99 117.46 112.68 1rkj n PHE 120 Ca 0.32 -1.84 -0.20 0.00 -0.05 0.00 0.00 57.45 55.68 1rkj n PHE 120 Cb 1.33 -0.40 0.09 0.00 -0.94 0.00 0.00 39.48 39.55 1rkj n PHE 120 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1rkj n GLU 121 N -1.77 2.01 0.00 -1.08 1.02 -1.25 -4.80 120.64 114.78 1rkj n GLU 121 Ca 0.05 -2.17 0.00 0.00 -0.02 0.00 0.00 57.16 55.02 1rkj n GLU 121 Cb 0.50 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1rkj n GLU 121 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1rkj n ASP 122 N -0.41 0.00 -1.11 1.62 -0.08 -0.93 -4.91 116.55 110.73 1rkj n ASP 122 Ca 0.42 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.82 1rkj n ASP 122 Cb 0.98 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.39 1rkj n ASP 122 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1rkj n ALA 123 N -0.52 -3.11 0.85 -1.67 0.00 -1.26 -4.58 120.51 110.22 1rkj n ALA 123 Ca 0.00 0.48 0.11 0.00 0.00 0.00 0.00 53.44 54.03 1rkj n ALA 123 Cb 0.00 -1.13 0.03 0.00 0.00 0.00 0.00 19.45 18.35 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 -3.54 0.71 -3.23 0.00 4.77 -0.48 -4.79 117.00 110.45 1rkj n LEU 124 Ca -0.03 -0.21 -0.03 0.00 -0.03 0.00 0.00 56.01 55.72 1rkj n LEU 124 Cb 0.59 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 1rkj n LEU 124 CO 0.02 0.15 0.02 -1.61 -1.33 0.00 0.00 177.39 174.63 1rkj s GLU 125 N -3.07 0.50 -0.57 3.23 0.41 -0.60 -4.99 118.70 113.61 1rkj s GLU 125 Ca 0.07 0.29 -0.07 0.00 -0.41 0.00 0.00 54.97 54.86 1rkj s GLU 125 Cb 0.16 -0.04 0.15 0.00 -1.78 0.00 0.00 34.13 32.62 1rkj s GLU 125 CO 0.80 -1.05 0.43 0.42 -0.49 0.00 0.00 175.26 175.37 1rkj s ILE 126 N 2.63 4.12 -0.04 -1.63 1.01 -1.26 0.08 121.20 126.12 1rkj s ILE 126 Ca 0.10 -2.37 -0.04 0.00 0.00 0.00 0.00 60.65 58.35 1rkj s ILE 126 Cb -0.11 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1rkj s ILE 126 CO -0.27 -0.84 0.18 -0.13 0.00 0.00 0.00 174.94 173.87 1rkj s ARG 127 N 0.62 3.44 0.11 2.79 0.52 -0.44 -5.00 118.95 121.00 1rkj s ARG 127 Ca 0.12 -0.27 0.05 0.00 -0.52 0.00 0.00 55.73 55.12 1rkj s ARG 127 Cb -0.21 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 1rkj s ARG 127 CO -0.03 0.70 0.02 -0.51 0.02 0.00 0.00 175.30 175.49 1rkj s LEU 128 N -1.71 3.49 -0.32 2.53 1.43 -1.26 -1.04 118.68 121.80 1rkj s LEU 128 Ca 0.24 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1rkj s LEU 128 Cb -0.12 -2.20 0.13 0.00 0.03 0.00 0.00 46.19 44.03 1rkj s LEU 128 CO 0.15 0.15 0.24 -0.69 0.23 0.00 0.00 176.35 176.43 1rkj s VAL 129 N -1.42 -0.16 -0.09 -1.59 1.01 0.36 -4.93 120.40 113.58 1rkj s VAL 129 Ca 0.27 -0.95 -0.32 0.00 0.00 0.00 0.00 61.98 60.97 1rkj s VAL 129 Cb -0.11 -0.96 0.12 0.00 0.00 0.00 0.00 36.38 35.43 1rkj s VAL 129 CO 0.19 -0.70 1.15 -0.94 0.00 0.00 0.00 175.10 174.80 1rkj s SER 130 N 1.81 -0.16 0.00 3.32 1.04 -1.23 0.21 113.70 118.68 1rkj s SER 130 Ca 0.13 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1rkj s SER 130 Cb -0.17 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1rkj s SER 130 CO -0.21 -0.37 0.00 1.67 0.98 0.00 0.00 173.24 175.31 1rkj n GLN 131 N -0.23 0.00 -0.74 4.02 0.00 -0.86 -5.00 117.38 114.56 1rkj n GLN 131 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.96 1rkj n GLN 131 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.84 1rkj n GLN 131 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1rkj n ASP 132 N -1.13 -4.17 0.00 1.69 2.03 -1.26 -4.77 116.55 108.94 1rkj n ASP 132 Ca 0.00 0.78 0.00 0.00 0.52 0.00 0.00 54.79 56.09 1rkj n ASP 132 Cb 0.00 -1.81 0.00 0.00 -0.72 0.00 0.00 41.12 38.59 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 -1.66 2.09 2.74 0.27 0.00 -1.26 -3.89 105.19 103.48 1rkj n GLY 133 Ca 0.00 0.13 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 1rkj n GLY 133 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rkj n LYS 134 N 0.00 0.72 0.00 1.61 4.81 -1.26 -5.10 118.16 118.94 1rkj n LYS 134 Ca 0.00 -1.61 0.00 0.00 -0.87 0.00 0.00 58.31 55.83 1rkj n LYS 134 Cb 0.00 -1.27 0.00 0.00 0.02 0.00 0.00 35.03 33.78 1rkj n LYS 134 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1rkj n SER 135 N 1.50 0.00 -2.11 3.14 7.64 -1.25 -4.82 113.62 117.71 1rkj n SER 135 Ca 0.08 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.88 1rkj n SER 135 Cb 0.65 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.89 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 0.00 -2.77 -1.89 1.43 3.00 -1.26 -2.03 118.16 114.64 1rkj n LYS 136 Ca 0.00 0.38 -0.37 0.00 -0.00 0.00 0.00 58.31 58.32 1rkj n LYS 136 Cb 0.00 -3.95 -0.03 0.00 0.00 0.00 0.00 35.03 31.04 1rkj n LYS 136 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1rkj s GLY 137 N -3.57 -0.01 0.30 3.14 0.00 -1.26 -3.57 107.32 102.35 1rkj s GLY 137 Ca 0.02 -0.47 -0.04 0.00 0.00 0.00 0.00 44.72 44.23 1rkj s GLY 137 CO 0.33 3.65 0.40 -0.42 0.00 0.00 0.00 173.10 177.06 1rkj s ILE 138 N 10.14 0.00 -0.30 0.90 1.01 0.13 -2.20 121.20 130.89 1rkj s ILE 138 Ca 0.77 -1.65 -0.15 0.00 0.00 0.00 0.00 60.65 59.61 1rkj s ILE 138 Cb -0.14 -2.50 0.16 0.00 0.01 0.00 0.00 42.46 39.98 1rkj s ILE 138 CO 0.22 0.00 0.99 0.00 0.00 0.00 0.00 174.94 176.15 1rkj s ALA 139 N -3.49 -2.51 -0.03 9.38 0.00 -0.59 -0.49 121.76 124.02 1rkj s ALA 139 Ca 0.31 2.12 -0.05 0.00 0.00 0.00 0.00 51.96 54.33 1rkj s ALA 139 Cb 0.01 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 1rkj s ALA 139 CO 0.17 -0.66 0.20 -0.47 0.00 0.00 0.00 175.76 175.00 1rkj s TYR 140 N 1.91 3.58 -0.21 0.00 6.14 -0.20 0.15 117.35 128.72 1rkj s TYR 140 Ca -0.06 0.48 -0.00 0.00 0.64 0.00 0.00 57.07 58.13 1rkj s TYR 140 Cb -0.05 -1.92 0.05 0.00 0.42 0.00 0.00 41.96 40.47 1rkj s TYR 140 CO -0.16 0.66 -0.03 0.42 0.64 0.00 0.00 175.55 177.08 1rkj s ILE 141 N -1.23 1.21 0.03 3.14 1.09 0.16 -1.33 121.20 124.27 1rkj s ILE 141 Ca 0.24 -0.92 -0.03 0.00 -1.10 0.00 0.00 60.65 58.83 1rkj s ILE 141 Cb -0.13 -1.50 -0.04 0.00 -1.06 0.00 0.00 42.46 39.73 1rkj s ILE 141 CO 0.14 -0.06 0.24 -0.70 -0.10 0.00 0.00 174.94 174.45 1rkj s GLU 142 N 1.56 3.50 0.45 2.79 2.12 0.11 -0.61 118.70 128.62 1rkj s GLU 142 Ca -0.03 -0.25 0.03 0.00 0.36 0.00 0.00 54.97 55.08 1rkj s GLU 142 Cb -0.18 -3.05 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 1rkj s GLU 142 CO -0.07 0.63 0.04 -0.06 -0.54 0.00 0.00 175.26 175.26 1rkj s PHE 143 N -1.40 1.98 -1.63 5.30 0.40 -0.71 -1.38 117.98 120.55 1rkj s PHE 143 Ca 0.31 -0.98 0.03 0.00 -0.60 0.00 0.00 56.93 55.69 1rkj s PHE 143 Cb -0.13 -1.50 0.12 0.00 0.51 0.00 0.00 43.02 42.03 1rkj s PHE 143 CO 0.21 0.12 0.97 1.17 0.70 0.00 0.00 175.22 178.39 1rkj n LYS 144 N -1.06 1.43 -3.56 0.44 3.00 -1.26 -4.73 118.16 112.41 1rkj n LYS 144 Ca -0.12 -0.50 -0.09 0.00 -0.00 0.00 0.00 58.31 57.61 1rkj n LYS 144 Cb 0.66 -1.28 -0.02 0.00 0.00 0.00 0.00 35.03 34.40 1rkj n LYS 144 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1rkj s SER 145 N -0.71 -0.41 0.29 3.14 1.04 -1.26 -5.02 113.70 110.76 1rkj s SER 145 Ca 0.09 -0.16 0.25 0.00 0.48 0.00 0.00 55.95 56.61 1rkj s SER 145 Cb 0.05 0.55 0.59 0.00 0.10 0.00 0.00 66.02 67.32 1rkj s SER 145 CO 0.05 -0.94 1.67 -0.08 0.98 0.00 0.00 173.24 174.92 1rkj h GLU 146 N 2.00 0.00 -0.01 4.02 4.81 -1.88 -3.32 114.58 120.19 1rkj h GLU 146 Ca -0.27 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.98 1rkj h GLU 146 Cb 1.27 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 1rkj h GLU 146 CO 0.32 0.00 -0.11 0.00 -0.73 0.00 0.00 179.01 178.48 1rkj h ALA 147 N 2.31 -0.12 0.00 2.92 0.00 -1.95 -1.23 119.26 121.19 1rkj h ALA 147 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1rkj h ALA 147 Cb 0.84 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1rkj h ALA 147 CO 0.00 -0.60 0.00 -0.44 0.00 0.00 0.00 179.25 178.21 1rkj h ASP 148 N -0.19 0.00 0.18 0.00 5.19 -1.95 0.44 116.42 120.09 1rkj h ASP 148 Ca 0.05 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.45 1rkj h ASP 148 Cb 0.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.76 1rkj h ASP 148 CO -0.12 0.00 -0.09 0.00 -3.12 0.00 0.00 179.24 175.91 1rkj h ALA 149 N 2.06 -0.24 0.15 3.45 0.00 -1.38 -1.89 119.26 121.41 1rkj h ALA 149 Ca 0.00 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.49 1rkj h ALA 149 Cb 0.49 0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.40 1rkj h ALA 149 CO 0.00 -0.33 -0.91 1.49 0.00 0.00 0.00 179.25 179.50 1rkj h GLU 150 N -0.85 0.31 -0.64 0.00 4.81 -1.26 -2.56 114.58 114.38 1rkj h GLU 150 Ca -0.02 -0.53 0.09 0.00 -0.13 0.00 0.00 59.36 58.77 1rkj h GLU 150 Cb 0.52 0.20 -0.07 0.00 0.63 0.00 0.00 28.75 30.03 1rkj h GLU 150 CO 0.04 1.26 0.27 -0.22 -0.73 0.00 0.00 179.01 179.63 1rkj h LYS 151 N -0.33 0.46 -0.27 1.92 3.64 -0.27 -1.37 116.57 120.34 1rkj h LYS 151 Ca -0.16 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.13 1rkj h LYS 151 Cb 1.69 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.40 1rkj h LYS 151 CO 0.15 0.30 -0.04 -0.91 -2.27 0.00 0.00 179.45 176.68 1rkj h ASN 152 N 0.47 0.51 0.00 4.20 2.35 -1.43 0.55 115.58 122.22 1rkj h ASN 152 Ca 0.32 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1rkj h ASN 152 Cb 0.38 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1rkj h ASN 152 CO -0.30 0.73 0.00 -0.11 -1.65 0.00 0.00 177.43 176.11 1rkj n LEU 153 N -4.55 0.00 0.00 1.61 7.94 -0.57 -0.18 117.00 121.26 1rkj n LEU 153 Ca -0.03 0.90 -0.12 0.00 -1.11 0.00 0.00 56.01 55.66 1rkj n LEU 153 Cb 0.29 -0.40 -0.14 0.00 0.53 0.00 0.00 43.42 43.69 1rkj n LEU 153 CO 0.39 -0.40 -0.49 -0.08 -1.11 0.00 0.00 177.39 175.70 1rkj h GLU 154 N 0.00 0.08 0.00 1.96 4.57 -1.53 -3.39 114.58 116.27 1rkj h GLU 154 Ca 0.00 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1rkj h GLU 154 Cb 0.00 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1rkj h GLU 154 CO 0.00 0.74 -0.75 1.49 -1.18 0.00 0.00 179.01 179.31 1rkj h GLU 155 N 0.02 0.00 0.00 1.92 4.57 -0.03 -3.41 114.58 117.65 1rkj h GLU 155 Ca -0.28 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1rkj h GLU 155 Cb 2.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.59 1rkj h GLU 155 CO 0.10 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 179.56 1rkj n LYS 156 N -2.46 0.00 -1.79 1.92 5.02 0.75 -4.62 118.16 116.98 1rkj n LYS 156 Ca 0.02 0.27 -0.07 0.00 -2.02 0.00 0.00 58.31 56.51 1rkj n LYS 156 Cb 0.50 -0.83 -0.02 0.00 -0.02 0.00 0.00 35.03 34.66 1rkj n LYS 156 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1rkj n GLN 157 N -0.60 -1.81 -1.72 1.97 1.13 -1.26 -4.72 117.38 110.37 1rkj n GLN 157 Ca 0.00 0.38 -0.05 0.00 -1.94 0.00 0.00 57.00 55.39 1rkj n GLN 157 Cb 0.00 -4.71 0.08 0.00 0.11 0.00 0.00 30.24 25.72 1rkj n GLN 157 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rkj n GLY 158 N -0.38 3.94 2.34 1.08 0.00 -1.26 -4.86 105.19 106.04 1rkj n GLY 158 Ca -0.08 -1.57 -0.22 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.55 2.73 -0.97 4.61 0.00 -1.26 -4.57 120.51 120.49 1rkj n ALA 159 Ca 0.21 -3.73 -0.11 0.00 0.00 0.00 0.00 53.44 49.80 1rkj n ALA 159 Cb 0.89 -0.87 -0.16 0.00 0.00 0.00 0.00 19.45 19.32 1rkj n ALA 159 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1rkj n GLU 160 N 0.48 1.93 -1.77 0.00 0.28 -1.26 0.26 120.64 120.56 1rkj n GLU 160 Ca 0.26 -0.94 -0.41 0.00 -0.16 0.00 0.00 57.16 55.90 1rkj n GLU 160 Cb 0.56 -1.95 -0.01 0.00 1.43 0.00 0.00 31.44 31.48 1rkj n GLU 160 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1rkj s ILE 161 N 0.98 2.00 -0.50 3.84 1.09 -1.26 -1.48 121.20 125.87 1rkj s ILE 161 Ca 0.63 0.00 0.00 0.00 -1.10 0.00 0.00 60.65 60.19 1rkj s ILE 161 Cb 0.30 -3.00 0.00 0.00 -1.06 0.00 0.00 42.46 38.70 1rkj s ILE 161 CO 0.00 0.00 0.00 -0.90 -0.10 0.00 0.00 174.94 173.94 1rkj n ASP 162 N 1.38 -1.96 -3.33 3.58 5.75 -1.26 -0.37 116.55 120.35 1rkj n ASP 162 Ca 0.05 0.28 -0.16 0.00 -0.01 0.00 0.00 54.79 54.95 1rkj n ASP 162 Cb 0.38 -1.87 0.08 0.00 -1.03 0.00 0.00 41.12 38.68 1rkj n ASP 162 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rkj n GLY 163 N -0.44 -0.58 0.00 6.12 0.00 -0.55 -4.92 105.19 104.82 1rkj n GLY 163 Ca -0.06 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.80 0.00 -3.14 1.61 3.00 0.50 -5.08 116.66 109.75 1rkj n ARG 164 Ca -0.22 -0.33 -0.05 0.00 -0.00 0.00 0.00 57.85 57.26 1rkj n ARG 164 Cb 0.65 -0.37 0.00 0.00 0.00 0.00 0.00 32.46 32.74 1rkj n ARG 164 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1rkj n SER 165 N 0.00 -6.21 -1.55 6.15 2.88 -1.19 -4.74 113.62 108.96 1rkj n SER 165 Ca 0.00 0.32 -0.14 0.00 -1.33 0.00 0.00 58.87 57.72 1rkj n SER 165 Cb 0.47 -1.52 0.01 0.00 -0.75 0.00 0.00 64.21 62.42 1rkj n SER 165 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1rkj n VAL 166 N 1.09 0.00 -3.34 2.46 3.14 0.73 -4.85 118.33 117.55 1rkj n VAL 166 Ca -0.01 -0.19 -0.42 0.00 -2.96 0.00 0.00 64.34 60.76 1rkj n VAL 166 Cb 0.50 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.20 1rkj n VAL 166 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1rkj s SER 167 N -0.38 6.21 -0.14 6.55 0.01 -0.77 -4.94 113.70 120.23 1rkj s SER 167 Ca 0.16 -0.33 -0.06 0.00 1.31 0.00 0.00 55.95 57.03 1rkj s SER 167 Cb -0.09 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 1rkj s SER 167 CO 0.31 -0.45 0.06 -1.48 0.41 0.00 0.00 173.24 172.09 1rkj s LEU 168 N 2.14 3.89 -0.01 2.44 2.34 -1.26 0.57 118.68 128.79 1rkj s LEU 168 Ca 0.13 0.19 -0.02 0.00 0.06 0.00 0.00 54.13 54.50 1rkj s LEU 168 Cb -0.16 -1.95 -0.00 0.00 -0.56 0.00 0.00 46.19 43.51 1rkj s LEU 168 CO 0.13 0.28 0.04 -0.31 -1.06 0.00 0.00 176.35 175.43 1rkj s TYR 169 N -0.29 0.03 -0.18 3.48 1.51 -0.25 -4.89 117.35 116.76 1rkj s TYR 169 Ca 0.09 -0.06 -0.11 0.00 -1.01 0.00 0.00 57.07 55.98 1rkj s TYR 169 Cb -0.12 -0.04 -0.05 0.00 -0.11 0.00 0.00 41.96 41.64 1rkj s TYR 169 CO 0.02 -0.09 0.19 1.52 -1.11 0.00 0.00 175.55 176.07 1rkj s TYR 170 N -0.48 3.44 -0.09 2.71 1.13 -1.26 0.59 117.35 123.40 1rkj s TYR 170 Ca -0.05 0.44 0.01 0.00 -1.41 0.00 0.00 57.07 56.05 1rkj s TYR 170 Cb -0.03 -2.21 0.02 0.00 -1.10 0.00 0.00 41.96 38.64 1rkj s TYR 170 CO -0.00 0.31 -0.10 -0.08 -2.51 0.00 0.00 175.55 173.17 1rkj s THR 171 N 0.28 1.05 -0.30 -3.49 -1.32 -0.40 -4.89 115.64 106.58 1rkj s THR 171 Ca 0.11 -0.37 -0.18 0.00 -1.21 0.00 0.00 61.69 60.04 1rkj s THR 171 Cb -0.12 -1.02 0.19 0.00 -1.51 0.00 0.00 72.50 70.05 1rkj s THR 171 CO 0.00 0.35 1.22 -0.83 -2.21 0.00 0.00 174.62 173.15 1rkj s GLY 172 N 1.16 0.42 0.03 6.08 0.00 -1.26 -2.06 107.32 111.69 1rkj s GLY 172 Ca -0.05 3.59 -0.02 0.00 0.00 0.00 0.00 44.72 48.24 1rkj s GLY 172 CO -0.02 2.56 0.02 1.85 0.00 0.00 0.00 173.10 177.51 1rkj s GLU 173 N 0.91 0.47 0.00 2.90 2.56 -1.25 -4.87 118.70 119.42 1rkj s GLU 173 Ca -0.05 -0.77 0.00 0.00 0.00 0.00 0.00 54.97 54.15 1rkj s GLU 173 Cb -0.03 0.17 0.00 0.00 2.00 0.00 0.00 34.13 36.27 1rkj s GLU 173 CO -0.12 -0.10 0.62 0.36 -0.56 0.00 0.00 175.26 175.47 1rkj n LYS 174 N 1.03 0.00 0.00 4.30 2.85 -1.26 -4.07 118.16 121.00 1rkj n LYS 174 Ca -0.20 -0.55 0.00 0.00 -1.05 0.00 0.00 58.31 56.51 1rkj n LYS 174 Cb 0.57 0.40 0.00 0.00 -0.65 0.00 0.00 35.03 35.35 1rkj n LYS 174 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76