#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 -2.81 0.00 1.61 2.88 -1.26 -4.97 113.62 109.07 1rkj n SER 2 Ca 0.00 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 1rkj n SER 2 Cb 0.00 -0.95 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 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 -1.75 -0.53 -3.62 0.66 -0.00 -1.26 -4.92 115.22 103.81 1rkj n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1rkj n HIS 3 Cb 0.14 0.12 -0.06 0.00 -0.00 0.00 0.00 29.99 30.18 1rkj n HIS 3 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1rkj s MET 4 N 0.00 0.21 0.00 -0.41 -2.45 -1.26 -5.07 119.30 110.31 1rkj s MET 4 Ca 0.00 0.37 0.00 0.00 -1.25 0.00 0.00 55.69 54.81 1rkj s MET 4 Cb 0.00 0.06 0.00 0.00 1.25 0.00 0.00 34.83 36.14 1rkj s MET 4 CO 0.00 -0.04 0.00 0.28 1.05 0.00 0.00 175.02 176.31 1rkj n VAL 5 N 3.48 0.00 -1.52 10.11 0.31 -1.26 -5.13 118.33 124.33 1rkj n VAL 5 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1rkj n VAL 5 Cb 0.57 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 1rkj n VAL 5 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1rkj n GLU 6 N -2.32 3.73 0.00 5.55 0.28 -1.26 -4.76 120.64 121.86 1rkj n GLU 6 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1rkj n GLU 6 Cb 0.08 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.95 1rkj n GLU 6 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1rkj n GLY 7 N 5.00 2.59 2.92 -1.84 0.00 -1.26 -4.96 105.19 107.64 1rkj n GLY 7 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1rkj n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rkj s SER 8 N -2.58 4.42 0.55 1.61 0.01 -1.26 -5.06 113.70 111.39 1rkj s SER 8 Ca 0.00 -1.86 0.00 0.00 1.31 0.00 0.00 55.95 55.40 1rkj s SER 8 Cb 0.00 -1.33 0.00 0.00 0.21 0.00 0.00 66.02 64.90 1rkj s SER 8 CO 0.00 -0.37 0.00 -0.62 0.41 0.00 0.00 173.24 172.66 1rkj n GLU 9 N 4.50 -2.99 0.00 12.44 4.71 -1.26 -5.02 120.64 133.01 1rkj n GLU 9 Ca -0.00 2.44 0.00 0.00 -0.01 0.00 0.00 57.16 59.58 1rkj n GLU 9 Cb 0.42 -3.56 0.00 0.00 -1.01 0.00 0.00 31.44 27.29 1rkj n GLU 9 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1rkj n SER 10 N -4.24 0.00 -0.02 1.62 7.64 -1.26 -4.95 113.62 112.41 1rkj n SER 10 Ca -0.08 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.76 1rkj n SER 10 Cb 0.62 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.81 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 -1.31 0.23 -3.63 0.44 5.66 -1.26 -4.98 114.28 109.44 1rkj n THR 11 Ca 0.00 -0.06 -0.15 0.00 -3.05 0.00 0.00 64.05 60.79 1rkj n THR 11 Cb 0.00 -1.40 -0.07 0.00 -1.55 0.00 0.00 70.33 67.31 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 -2.08 0.00 -1.65 1.09 -1.32 -1.26 -5.03 115.64 105.39 1rkj s THR 12 Ca -0.06 -0.02 0.24 0.00 -1.21 0.00 0.00 61.69 60.64 1rkj s THR 12 Cb 0.02 -0.92 0.52 0.00 -1.51 0.00 0.00 72.50 70.61 1rkj s THR 12 CO 0.08 -0.01 1.78 -0.81 -2.21 0.00 0.00 174.62 173.45 1rkj n PRO 13 N 2.31 0.50 -0.35 7.08 -0.04 -1.26 -4.45 135.00 138.78 1rkj n PRO 13 Ca -0.15 0.04 -0.10 0.00 -0.04 0.00 0.00 63.50 63.25 1rkj n PRO 13 Cb 0.56 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.17 0.64 -3.48 0.54 3.72 -1.26 -4.83 117.46 111.61 1rkj n PHE 14 Ca 0.14 -1.18 -0.20 0.00 -0.05 0.00 0.00 57.45 56.16 1rkj n PHE 14 Cb 0.15 -1.10 -0.00 0.00 -0.94 0.00 0.00 39.48 37.58 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 4.22 6.02 0.20 4.37 4.22 -1.26 0.49 114.94 133.20 1rkj s ASN 15 Ca 0.19 -0.05 -0.14 0.00 -2.14 0.00 0.00 52.86 50.72 1rkj s ASN 15 Cb 0.05 -1.41 0.01 0.00 1.28 0.00 0.00 41.25 41.17 1rkj s ASN 15 CO -0.02 -0.40 0.44 -1.48 -2.04 0.00 0.00 177.10 173.60 1rkj s LEU 16 N -4.20 0.42 -0.15 3.54 2.34 0.09 -4.50 118.68 116.22 1rkj s LEU 16 Ca 0.43 -0.73 -0.10 0.00 0.06 0.00 0.00 54.13 53.79 1rkj s LEU 16 Cb -0.09 1.75 -0.05 0.00 -0.56 0.00 0.00 46.19 47.24 1rkj s LEU 16 CO 0.32 -1.03 0.20 0.12 -1.06 0.00 0.00 176.35 174.89 1rkj s PHE 17 N -3.94 3.52 -0.20 3.48 2.19 -0.80 -2.26 117.98 119.96 1rkj s PHE 17 Ca 0.15 0.52 0.01 0.00 0.33 0.00 0.00 56.93 57.94 1rkj s PHE 17 Cb 0.00 -2.14 0.04 0.00 -1.31 0.00 0.00 43.02 39.62 1rkj s PHE 17 CO 0.02 0.46 -0.09 0.42 1.83 0.00 0.00 175.22 177.86 1rkj s ILE 18 N -0.22 1.55 0.43 3.12 -1.09 -0.24 -1.78 121.20 122.96 1rkj s ILE 18 Ca 0.14 -0.98 0.04 0.00 -2.23 0.00 0.00 60.65 57.62 1rkj s ILE 18 Cb -0.12 -1.66 -0.04 0.00 -1.58 0.00 0.00 42.46 39.06 1rkj s ILE 18 CO 0.03 0.13 0.04 -0.83 -1.23 0.00 0.00 174.94 173.08 1rkj s GLY 19 N 1.43 2.64 -0.77 6.18 0.00 -0.80 0.40 107.32 116.39 1rkj s GLY 19 Ca -0.02 -1.33 -0.01 0.00 0.00 0.00 0.00 44.72 43.37 1rkj s GLY 19 CO -0.08 -2.02 0.65 -2.01 0.00 0.00 0.00 173.10 169.64 1rkj n ASN 20 N -1.10 -6.41 -0.07 1.64 5.15 -1.26 -1.94 115.26 111.27 1rkj n ASN 20 Ca -0.10 -0.48 -0.07 0.00 -0.60 0.00 0.00 54.58 53.34 1rkj n ASN 20 Cb 0.66 -3.59 -0.02 0.00 -0.53 0.00 0.00 39.78 36.31 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 -2.13 1.42 0.00 1.20 4.32 -1.26 -3.99 117.00 116.55 1rkj n LEU 21 Ca -0.15 0.24 0.00 0.00 -0.02 0.00 0.00 56.01 56.08 1rkj n LEU 21 Cb 0.59 -0.68 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 1rkj n LEU 21 CO 0.58 -0.33 0.00 0.59 -1.22 0.00 0.00 177.39 177.01 1rkj n ASN 22 N -3.93 0.00 -3.29 -1.43 4.13 -1.26 -4.60 115.26 104.88 1rkj n ASN 22 Ca -0.10 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 55.87 1rkj n ASN 22 Cb 0.38 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.60 1rkj n ASN 22 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1rkj n PRO 23 N 0.00 2.39 0.01 3.52 -0.04 -1.26 -3.24 135.00 136.38 1rkj n PRO 23 Ca 0.00 -1.72 0.00 0.00 -0.04 0.00 0.00 63.50 61.74 1rkj n PRO 23 Cb 0.00 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 30.84 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 4.57 -0.13 0.13 3.54 2.85 -1.26 -4.91 115.26 120.05 1rkj n ASN 24 Ca 0.53 0.03 0.08 0.00 -0.11 0.00 0.00 54.58 55.11 1rkj n ASN 24 Cb 0.20 0.47 0.44 0.00 1.24 0.00 0.00 39.78 42.12 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 -2.39 0.10 -0.13 1.20 5.02 -1.20 -4.87 118.16 115.89 1rkj n LYS 25 Ca 0.00 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 1rkj n LYS 25 Cb 0.00 -1.89 0.00 0.00 -0.02 0.00 0.00 35.03 33.12 1rkj n LYS 25 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1rkj n SER 26 N -2.07 -0.32 -0.24 4.39 2.88 -1.26 -4.56 113.62 112.44 1rkj n SER 26 Ca -0.01 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.47 1rkj n SER 26 Cb 0.07 -0.16 -0.06 0.00 -0.75 0.00 0.00 64.21 63.31 1rkj n SER 26 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1rkj n VAL 27 N 2.53 -0.39 -0.24 2.46 3.14 -1.26 0.92 118.33 125.48 1rkj n VAL 27 Ca 0.00 1.60 0.01 0.00 -2.96 0.00 0.00 64.34 63.00 1rkj n VAL 27 Cb 0.00 -2.00 0.05 0.00 -1.06 0.00 0.00 33.84 30.83 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 -3.31 0.02 0.13 1.55 0.00 -1.26 0.15 120.51 117.79 1rkj n ALA 28 Ca 0.01 0.67 -0.14 0.00 0.00 0.00 0.00 53.44 53.98 1rkj n ALA 28 Cb 0.15 -0.34 -0.08 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.27 -0.92 0.00 5.08 0.30 -2.61 114.58 116.15 1rkj h GLU 29 Ca 0.26 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.75 1rkj h GLU 29 Cb 0.42 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 29.60 1rkj h GLU 29 CO -0.65 -0.11 -0.43 1.28 -1.00 0.00 0.00 179.01 178.10 1rkj n LEU 30 N -5.17 -0.75 0.15 1.33 4.77 0.40 0.34 117.00 118.06 1rkj n LEU 30 Ca -0.09 1.62 -0.15 0.00 -0.03 0.00 0.00 56.01 57.36 1rkj n LEU 30 Cb 0.17 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 1rkj n LEU 30 CO 0.34 -1.40 0.58 0.11 -1.33 0.00 0.00 177.39 175.70 1rkj h LYS 31 N 0.00 -0.68 0.16 3.23 1.57 -1.17 -1.89 116.57 117.79 1rkj h LYS 31 Ca 0.25 0.05 0.01 0.00 -1.87 0.00 0.00 60.65 59.08 1rkj h LYS 31 Cb 0.48 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 1rkj h LYS 31 CO -0.89 -0.45 -0.51 0.28 -0.57 0.00 0.00 179.45 177.30 1rkj h VAL 32 N -0.71 0.00 -0.94 0.50 2.07 -0.28 0.43 116.25 117.33 1rkj h VAL 32 Ca 0.00 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.75 1rkj h VAL 32 Cb 0.70 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.30 1rkj h VAL 32 CO -0.20 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.28 1rkj n ALA 33 N -2.90 0.35 -0.00 1.67 0.00 0.15 0.30 120.51 120.08 1rkj n ALA 33 Ca -0.09 1.02 -0.05 0.00 0.00 0.00 0.00 53.44 54.32 1rkj n ALA 33 Cb 0.41 -0.68 0.15 0.00 0.00 0.00 0.00 19.45 19.34 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 1.28 0.00 0.00 6.09 -0.41 -2.04 117.51 122.43 1rkj h ILE 34 Ca 0.51 -1.40 0.00 0.00 -1.37 0.00 0.00 64.86 62.60 1rkj h ILE 34 Cb 0.93 1.43 0.00 0.00 0.47 0.00 0.00 36.82 39.64 1rkj h ILE 34 CO -0.92 0.44 0.00 -0.24 -3.07 0.00 0.00 178.15 174.36 1rkj n SER 35 N -4.08 0.00 -0.32 2.19 2.88 0.89 -0.32 113.62 114.86 1rkj n SER 35 Ca -0.01 0.60 0.22 0.00 -1.33 0.00 0.00 58.87 58.35 1rkj n SER 35 Cb 0.45 -0.20 0.41 0.00 -0.75 0.00 0.00 64.21 64.12 1rkj n SER 35 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1rkj n GLU 36 N -1.11 -0.07 0.14 -1.46 1.02 0.14 0.56 120.64 119.87 1rkj n GLU 36 Ca 0.00 1.37 -0.14 0.00 -0.02 0.00 0.00 57.16 58.37 1rkj n GLU 36 Cb 0.00 -2.31 -0.08 0.00 -0.02 0.00 0.00 31.44 29.03 1rkj n GLU 36 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1rkj h LEU 37 N 0.00 -0.27 -1.90 -4.62 7.12 -1.37 -2.02 115.31 112.26 1rkj h LEU 37 Ca 0.68 -0.11 0.00 0.00 0.13 0.00 0.00 57.88 58.58 1rkj h LEU 37 Cb 1.63 0.07 0.00 0.00 -0.53 0.00 0.00 40.66 41.82 1rkj h LEU 37 CO -0.82 -0.05 0.21 -0.26 -0.13 0.00 0.00 178.44 177.39 1rkj h PHE 38 N -0.48 0.00 0.00 1.25 0.04 0.31 -0.32 116.94 117.75 1rkj h PHE 38 Ca -0.03 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.70 1rkj h PHE 38 Cb 0.36 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 1rkj h PHE 38 CO -0.02 0.00 -0.22 0.00 -0.60 0.00 0.00 178.31 177.47 1rkj h ALA 39 N 1.54 0.05 0.00 2.45 0.00 -0.51 -3.29 119.26 119.50 1rkj h ALA 39 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1rkj h ALA 39 Cb 0.42 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1rkj h ALA 39 CO 0.00 0.12 0.00 1.63 0.00 0.00 0.00 179.25 181.00 1rkj n LYS 40 N -4.58 0.03 -0.22 0.00 5.02 -0.47 -2.12 118.16 115.83 1rkj n LYS 40 Ca -0.14 0.24 0.07 0.00 -2.02 0.00 0.00 58.31 56.46 1rkj n LYS 40 Cb 0.51 -1.56 0.20 0.00 -0.02 0.00 0.00 35.03 34.16 1rkj n LYS 40 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1rkj n ASN 41 N -1.63 2.35 0.00 4.39 2.85 -0.26 -4.94 115.26 118.03 1rkj n ASN 41 Ca 0.04 -2.00 0.00 0.00 -0.11 0.00 0.00 54.58 52.51 1rkj n ASN 41 Cb 0.21 -0.29 0.00 0.00 1.24 0.00 0.00 39.78 40.94 1rkj n ASN 41 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1rkj n ASP 42 N 0.78 0.00 -4.55 1.20 -0.08 -0.90 -4.86 116.55 108.14 1rkj n ASP 42 Ca 0.15 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.29 1rkj n ASP 42 Cb 0.37 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.75 1rkj n ASP 42 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1rkj n LEU 43 N 0.00 1.55 -4.57 -2.67 -0.00 -1.25 -4.82 117.00 105.24 1rkj n LEU 43 Ca 0.00 -1.40 -0.24 0.00 -0.00 0.00 0.00 56.01 54.37 1rkj n LEU 43 Cb 0.00 -1.57 -0.06 0.00 -0.00 0.00 0.00 43.42 41.79 1rkj n LEU 43 CO 0.00 -2.53 1.34 0.00 -0.00 0.00 0.00 177.39 176.20 1rkj s ALA 44 N 13.62 1.44 0.34 1.47 0.00 -1.24 -4.44 121.76 132.95 1rkj s ALA 44 Ca 0.96 -1.53 -0.17 0.00 0.00 0.00 0.00 51.96 51.23 1rkj s ALA 44 Cb -0.19 -4.60 -0.13 0.00 0.00 0.00 0.00 23.12 18.20 1rkj s ALA 44 CO 0.13 -5.25 0.04 1.55 0.00 0.00 0.00 175.76 172.22 1rkj n VAL 45 N 8.10 0.44 -0.10 0.00 3.14 -1.26 -4.63 118.33 124.02 1rkj n VAL 45 Ca 0.42 -0.41 -0.18 0.00 -2.96 0.00 0.00 64.34 61.21 1rkj n VAL 45 Cb 0.46 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.17 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 -0.90 1.50 -4.74 1.55 0.31 -0.81 -4.91 118.33 110.32 1rkj n VAL 46 Ca 0.09 -0.04 -0.26 0.00 -0.01 0.00 0.00 64.34 64.12 1rkj n VAL 46 Cb 0.34 -2.13 -0.14 0.00 -0.91 0.00 0.00 33.84 30.99 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 -6.62 2.53 -0.31 4.52 -1.08 -0.96 -4.94 116.67 109.81 1rkj s ASP 47 Ca -0.28 -0.50 -0.00 0.00 -0.52 0.00 0.00 52.55 51.24 1rkj s ASP 47 Cb 0.07 -0.23 0.14 0.00 -1.46 0.00 0.00 42.92 41.44 1rkj s ASP 47 CO 0.45 0.19 0.28 0.68 0.52 0.00 0.00 175.17 177.29 1rkj s VAL 48 N -0.74 -0.31 0.14 1.11 -7.23 -1.26 -0.30 120.40 111.81 1rkj s VAL 48 Ca 0.08 -0.70 0.03 0.00 -1.81 0.00 0.00 61.98 59.58 1rkj s VAL 48 Cb -0.09 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 1rkj s VAL 48 CO 0.01 -0.56 -0.07 0.00 -0.31 0.00 0.00 175.10 174.17 1rkj s ARG 49 N 2.06 1.02 0.42 4.82 1.70 -0.56 -5.03 118.95 123.39 1rkj s ARG 49 Ca 0.11 -1.44 0.03 0.00 -0.47 0.00 0.00 55.73 53.96 1rkj s ARG 49 Cb -0.15 -0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 33.72 1rkj s ARG 49 CO -0.26 0.02 0.06 0.95 -1.08 0.00 0.00 175.30 174.99 1rkj s THR 50 N -3.45 1.10 -0.25 4.99 -4.23 -1.26 -0.86 115.64 111.68 1rkj s THR 50 Ca 0.17 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 1rkj s THR 50 Cb 0.04 -2.49 0.07 0.00 1.34 0.00 0.00 72.50 71.46 1rkj s THR 50 CO 0.00 0.00 -0.02 -0.83 -0.54 0.00 0.00 174.62 173.23 1rkj s GLY 51 N -3.68 1.26 0.52 3.99 0.00 -0.29 -4.89 107.32 104.24 1rkj s GLY 51 Ca 0.23 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1rkj s GLY 51 CO 0.12 1.06 0.00 -1.30 0.00 0.00 0.00 173.10 172.98 1rkj n THR 52 N 4.69 -3.50 -0.88 0.90 -2.24 -1.26 -2.14 114.28 109.85 1rkj n THR 52 Ca -0.09 1.68 -0.19 0.00 -2.27 0.00 0.00 64.05 63.17 1rkj n THR 52 Cb 0.44 -2.55 -0.11 0.00 -2.10 0.00 0.00 70.33 66.01 1rkj n THR 52 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1rkj n ASN 53 N -1.97 -0.27 0.00 3.42 4.05 -1.26 -2.15 115.26 117.08 1rkj n ASN 53 Ca 0.00 -0.08 0.00 0.00 0.45 0.00 0.00 54.58 54.95 1rkj n ASN 53 Cb 0.28 -0.44 0.00 0.00 1.23 0.00 0.00 39.78 40.85 1rkj n ASN 53 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1rkj n ARG 54 N 4.21 0.00 0.00 1.20 1.74 -1.26 -4.84 116.66 117.71 1rkj n ARG 54 Ca 0.39 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 1rkj n ARG 54 Cb 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.48 1rkj n ARG 54 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1rkj n LYS 55 N 0.00 0.00 -4.23 5.56 4.76 -0.91 -4.36 118.16 118.97 1rkj n LYS 55 Ca 0.00 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 1rkj n LYS 55 Cb 0.00 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.10 1rkj n LYS 55 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 1rkj s PHE 56 N 0.00 1.45 0.13 2.13 -0.71 -0.91 -4.88 117.98 115.18 1rkj s PHE 56 Ca 0.00 -1.51 0.03 0.00 -1.04 0.00 0.00 56.93 54.41 1rkj s PHE 56 Cb 0.00 -0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 41.17 1rkj s PHE 56 CO 0.00 -0.79 -0.08 0.20 -1.34 0.00 0.00 175.22 173.21 1rkj s GLY 57 N -3.27 0.95 -0.10 1.99 0.00 0.16 -1.13 107.32 105.91 1rkj s GLY 57 Ca 0.39 -1.44 -0.20 0.00 0.00 0.00 0.00 44.72 43.48 1rkj s GLY 57 CO 0.20 -1.53 0.49 -0.47 0.00 0.00 0.00 173.10 171.79 1rkj s TYR 58 N -3.47 -0.47 -0.13 1.90 5.04 -0.04 -1.08 117.35 119.10 1rkj s TYR 58 Ca 0.15 0.98 -0.21 0.00 -2.44 0.00 0.00 57.07 55.55 1rkj s TYR 58 Cb 0.04 0.22 0.05 0.00 0.35 0.00 0.00 41.96 42.62 1rkj s TYR 58 CO -0.02 -0.39 0.52 0.54 -1.34 0.00 0.00 175.55 174.87 1rkj s VAL 59 N -0.57 0.01 -0.00 3.14 0.11 -0.96 -1.50 120.40 120.64 1rkj s VAL 59 Ca -0.07 -0.10 0.01 0.00 -2.93 0.00 0.00 61.98 58.89 1rkj s VAL 59 Cb -0.03 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 1rkj s VAL 59 CO 0.04 -0.05 0.03 -0.62 -3.33 0.00 0.00 175.10 171.17 1rkj s ASP 60 N -0.39 5.32 0.42 3.54 -1.08 0.59 -0.74 116.67 124.33 1rkj s ASP 60 Ca -0.05 0.04 0.08 0.00 -0.52 0.00 0.00 52.55 52.10 1rkj s ASP 60 Cb -0.03 -1.44 -0.00 0.00 -1.46 0.00 0.00 42.92 39.99 1rkj s ASP 60 CO 0.04 0.28 0.50 -0.36 0.52 0.00 0.00 175.17 176.14 1rkj s PHE 61 N -1.13 2.77 0.18 -5.34 0.40 0.18 -1.93 117.98 113.11 1rkj s PHE 61 Ca 0.21 -0.44 0.04 0.00 -0.60 0.00 0.00 56.93 56.14 1rkj s PHE 61 Cb -0.12 -2.30 0.04 0.00 0.51 0.00 0.00 43.02 41.15 1rkj s PHE 61 CO 0.12 -0.31 1.41 1.49 0.70 0.00 0.00 175.22 178.63 1rkj h GLU 62 N 0.78 0.16 0.00 0.44 4.81 -1.87 -3.41 114.58 115.49 1rkj h GLU 62 Ca -0.40 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 1rkj h GLU 62 Cb 1.28 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1rkj h GLU 62 CO 0.50 0.90 0.00 0.45 -0.73 0.00 0.00 179.01 180.13 1rkj n SER 63 N -3.67 0.00 -0.41 1.04 2.88 -1.26 -4.93 113.62 107.27 1rkj n SER 63 Ca -0.03 0.00 0.34 0.00 -1.33 0.00 0.00 58.87 57.85 1rkj n SER 63 Cb 0.78 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 64.76 1rkj n SER 63 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rkj n ALA 64 N -1.07 1.22 0.17 -1.46 0.00 -1.26 -0.10 120.51 118.00 1rkj n ALA 64 Ca 0.00 0.42 -0.07 0.00 0.00 0.00 0.00 53.44 53.79 1rkj n ALA 64 Cb 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 1rkj n ALA 64 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1rkj h GLU 65 N 0.00 -0.44 -0.77 0.00 4.57 -2.00 -1.49 114.58 114.45 1rkj h GLU 65 Ca 0.60 0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.93 1rkj h GLU 65 Cb 2.71 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 31.35 1rkj h GLU 65 CO -0.01 -0.29 0.51 -0.44 -1.18 0.00 0.00 179.01 177.60 1rkj h ASP 66 N -0.58 0.54 0.04 1.04 5.19 -0.87 -1.57 116.42 120.21 1rkj h ASP 66 Ca -0.05 0.02 0.01 0.00 -0.62 0.00 0.00 57.03 56.39 1rkj h ASP 66 Cb 0.35 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 1rkj h ASP 66 CO 0.08 0.30 -0.09 0.25 -3.12 0.00 0.00 179.24 176.66 1rkj h LEU 67 N 0.59 -0.24 -0.48 1.55 5.85 -1.23 -0.92 115.31 120.42 1rkj h LEU 67 Ca 0.37 0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.20 1rkj h LEU 67 Cb 0.61 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.67 1rkj h LEU 67 CO -0.14 -0.13 0.10 -0.33 -0.34 0.00 0.00 178.44 177.61 1rkj h GLU 68 N -0.17 0.24 -0.10 1.25 5.08 -0.27 -1.92 114.58 118.69 1rkj h GLU 68 Ca 0.02 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1rkj h GLU 68 Cb 0.19 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1rkj h GLU 68 CO -0.06 0.16 -0.16 -0.22 -1.00 0.00 0.00 179.01 177.73 1rkj h LYS 69 N 0.24 -0.20 -0.20 2.33 3.64 -1.03 -2.32 116.57 119.03 1rkj h LYS 69 Ca 0.24 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.66 1rkj h LYS 69 Cb 0.31 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 1rkj h LYS 69 CO -0.31 -0.13 -0.30 0.00 -2.27 0.00 0.00 179.45 176.44 1rkj h ALA 70 N 0.81 -0.58 -0.96 5.00 0.00 -0.42 0.87 119.26 123.98 1rkj h ALA 70 Ca 0.08 -0.01 0.29 0.00 0.00 0.00 0.00 54.91 55.28 1rkj h ALA 70 Cb 0.33 0.92 -0.17 0.00 0.00 0.00 0.00 17.79 18.87 1rkj h ALA 70 CO -0.22 -0.72 0.21 1.25 0.00 0.00 0.00 179.25 179.77 1rkj h LEU 71 N -0.23 -0.15 -1.63 0.00 5.85 -1.24 2.09 115.31 120.00 1rkj h LEU 71 Ca 0.04 0.25 0.07 0.00 0.84 0.00 0.00 57.88 59.07 1rkj h LEU 71 Cb 0.33 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1rkj h LEU 71 CO -0.31 -0.31 0.36 -0.33 -0.34 0.00 0.00 178.44 177.51 1rkj h GLU 72 N 0.07 0.44 -2.30 1.25 4.39 -0.30 -2.84 114.58 115.29 1rkj h GLU 72 Ca 0.64 -0.03 -0.65 0.00 0.34 0.00 0.00 59.36 59.67 1rkj h GLU 72 Cb 1.42 -0.10 -0.38 0.00 -0.10 0.00 0.00 28.75 29.58 1rkj h GLU 72 CO -0.81 0.29 -0.23 1.28 -1.16 0.00 0.00 179.01 178.38 1rkj n LEU 73 N -4.47 5.06 0.00 1.33 4.32 0.70 -5.06 117.00 118.88 1rkj n LEU 73 Ca 0.08 -5.58 0.00 0.00 -0.02 0.00 0.00 56.01 50.49 1rkj n LEU 73 Cb 0.27 -0.73 0.00 0.00 -1.62 0.00 0.00 43.42 41.34 1rkj n LEU 73 CO 0.34 2.23 0.00 1.07 -1.22 0.00 0.00 177.39 179.81 1rkj n THR 74 N 0.01 0.00 -4.00 -5.08 5.66 -1.03 -4.31 114.28 105.52 1rkj n THR 74 Ca 0.34 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.98 1rkj n THR 74 Cb 0.36 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.15 1rkj n THR 74 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rkj n GLY 75 N 0.00 -0.59 2.81 1.09 0.00 -1.26 -4.82 105.19 102.42 1rkj n GLY 75 Ca 0.00 0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 1rkj n GLY 75 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1rkj n LEU 76 N -4.10 6.97 0.00 0.99 -0.00 -1.26 -4.99 117.00 114.61 1rkj n LEU 76 Ca -0.10 -5.00 -0.16 0.00 -0.00 0.00 0.00 56.01 50.75 1rkj n LEU 76 Cb 0.44 -0.97 0.16 0.00 -0.00 0.00 0.00 43.42 43.05 1rkj n LEU 76 CO 0.58 1.89 0.18 2.29 -0.00 0.00 0.00 177.39 182.34 1rkj n LYS 77 N -0.46 -3.23 0.10 1.47 0.00 -1.26 -4.86 118.16 109.91 1rkj n LYS 77 Ca 0.50 -0.78 0.12 0.00 -0.00 0.00 0.00 58.31 58.15 1rkj n LYS 77 Cb 0.31 -1.06 0.14 0.00 -0.00 0.00 0.00 35.03 34.41 1rkj n LYS 77 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 1rkj h VAL 78 N -2.85 0.00 0.00 0.58 -1.51 -1.87 -3.43 116.25 107.17 1rkj h VAL 78 Ca -0.21 -0.72 0.00 0.00 -1.23 0.00 0.00 66.70 64.54 1rkj h VAL 78 Cb 0.71 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1rkj h VAL 78 CO 0.13 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.96 1rkj n PHE 79 N -2.43 -0.71 -2.27 5.19 3.01 -1.26 -4.69 117.46 114.29 1rkj n PHE 79 Ca 0.02 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.47 1rkj n PHE 79 Cb 0.49 0.25 0.03 0.00 -0.01 0.00 0.00 39.48 40.23 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 -0.17 0.21 0.31 1.37 0.00 -1.26 -4.96 105.19 100.68 1rkj n GLY 80 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.44 2.59 -1.47 1.61 4.13 -1.26 -5.10 115.26 115.32 1rkj n ASN 81 Ca -0.10 -2.35 0.04 0.00 1.68 0.00 0.00 54.58 53.85 1rkj n ASN 81 Cb 0.59 -0.22 -0.02 0.00 -1.54 0.00 0.00 39.78 38.59 1rkj n ASN 81 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1rkj n GLU 82 N -0.40 -3.35 -3.52 3.52 2.13 -1.26 -5.02 120.64 112.73 1rkj n GLU 82 Ca 0.09 2.64 -0.15 0.00 0.66 0.00 0.00 57.16 60.40 1rkj n GLU 82 Cb 0.46 -3.49 -0.05 0.00 0.27 0.00 0.00 31.44 28.64 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 -2.94 0.00 -4.21 6.31 -5.35 -1.26 -4.72 119.36 107.20 1rkj n ILE 83 Ca -0.02 -1.54 -0.27 0.00 -0.27 0.00 0.00 62.75 60.65 1rkj n ILE 83 Cb 0.46 0.62 -0.17 0.00 -1.74 0.00 0.00 39.64 38.81 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 -2.96 1.74 -0.04 6.28 1.02 -0.82 -4.99 119.74 119.96 1rkj s LYS 84 Ca 0.17 -0.37 -0.06 0.00 0.02 0.00 0.00 55.97 55.73 1rkj s LYS 84 Cb 0.01 -1.61 -0.04 0.00 -0.52 0.00 0.00 37.83 35.66 1rkj s LYS 84 CO 0.12 -0.14 0.20 -0.51 -0.92 0.00 0.00 175.35 174.10 1rkj s LEU 85 N 1.25 4.38 0.29 3.17 1.02 -1.26 -1.91 118.68 125.63 1rkj s LEU 85 Ca -0.03 0.48 -0.04 0.00 0.02 0.00 0.00 54.13 54.57 1rkj s LEU 85 Cb -0.14 -2.43 -0.01 0.00 0.02 0.00 0.00 46.19 43.63 1rkj s LEU 85 CO -0.04 0.32 0.40 -0.70 0.02 0.00 0.00 176.35 176.35 1rkj s GLU 86 N -1.51 1.69 0.06 1.70 2.12 -0.74 -5.02 118.70 117.01 1rkj s GLU 86 Ca 0.23 -1.63 -0.03 0.00 0.36 0.00 0.00 54.97 53.89 1rkj s GLU 86 Cb -0.13 0.41 -0.05 0.00 0.26 0.00 0.00 34.13 34.63 1rkj s GLU 86 CO 0.12 -0.67 0.27 0.15 -0.54 0.00 0.00 175.26 174.58 1rkj s LYS 87 N -3.51 3.52 1.05 4.30 -0.14 -1.26 -1.91 119.74 121.78 1rkj s LYS 87 Ca 0.31 -0.25 -0.20 0.00 -1.36 0.00 0.00 55.97 54.47 1rkj s LYS 87 Cb 0.01 -3.00 -0.02 0.00 -1.68 0.00 0.00 37.83 33.14 1rkj s LYS 87 CO 0.17 0.59 -0.46 -2.30 -0.76 0.00 0.00 175.35 172.58 1rkj n PRO 88 N 0.49 -0.77 -3.62 -1.68 -0.02 -1.26 -4.56 135.00 123.58 1rkj n PRO 88 Ca -0.06 -0.21 -0.29 0.00 -2.02 0.00 0.00 63.50 60.92 1rkj n PRO 88 Cb 0.52 -1.45 -0.12 0.00 -0.02 0.00 0.00 33.50 32.42 1rkj n PRO 88 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1rkj s LYS 89 N -2.91 1.10 0.00 -0.52 2.20 -1.26 -5.00 119.74 113.35 1rkj s LYS 89 Ca 0.49 -1.90 0.00 0.00 -0.36 0.00 0.00 55.97 54.20 1rkj s LYS 89 Cb -0.08 -2.00 0.00 0.00 -1.51 0.00 0.00 37.83 34.24 1rkj s LYS 89 CO 0.68 -1.21 0.00 0.41 -0.36 0.00 0.00 175.35 174.88 1rkj n GLY 90 N 3.53 1.11 0.00 5.54 0.00 -1.26 -4.49 105.19 109.62 1rkj n GLY 90 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 10.49 1.91 -0.08 1.61 3.00 -1.26 -5.00 116.66 127.33 1rkj n ARG 91 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.76 1rkj n ARG 91 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 1rkj n ARG 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1rkj n ASP 92 N 0.00 1.89 0.00 6.15 9.92 -1.26 -5.00 116.55 128.24 1rkj n ASP 92 Ca 0.00 0.45 0.00 0.00 -0.53 0.00 0.00 54.79 54.71 1rkj n ASP 92 Cb 0.00 -0.80 0.00 0.00 -0.64 0.00 0.00 41.12 39.68 1rkj n ASP 92 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1rkj n SER 93 N -4.51 0.00 -4.72 -2.24 7.64 -1.26 -4.98 113.62 103.54 1rkj n SER 93 Ca -0.14 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.33 1rkj n SER 93 Cb 0.44 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.60 1rkj n SER 93 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1rkj s LYS 94 N 0.00 4.62 0.00 1.43 3.01 -1.26 -1.10 119.74 126.44 1rkj s LYS 94 Ca 0.00 1.53 0.00 0.00 -1.01 0.00 0.00 55.97 56.49 1rkj s LYS 94 Cb 0.00 -3.37 0.00 0.00 -1.01 0.00 0.00 37.83 33.45 1rkj s LYS 94 CO 0.00 0.08 0.00 1.17 0.51 0.00 0.00 175.35 177.11 1rkj n LYS 95 N 3.07 0.00 -0.34 1.68 3.00 -1.26 -4.70 118.16 119.62 1rkj n LYS 95 Ca 0.04 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.38 1rkj n LYS 95 Cb 0.49 0.00 0.16 0.00 0.00 0.00 0.00 35.03 35.67 1rkj n LYS 95 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1rkj n VAL 96 N 0.00 1.04 -3.38 3.15 0.24 -1.24 -4.86 118.33 113.29 1rkj n VAL 96 Ca 0.00 -0.54 -0.20 0.00 -2.04 0.00 0.00 64.34 61.56 1rkj n VAL 96 Cb 0.00 -0.39 -0.03 0.00 -1.47 0.00 0.00 33.84 31.96 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 0.25 -2.36 0.00 7.34 1.74 -1.21 0.32 116.66 122.74 1rkj n ARG 97 Ca 0.11 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1rkj n ARG 97 Cb 0.60 -4.79 0.00 0.00 -1.02 0.00 0.00 32.46 27.25 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 -3.26 0.00 -1.44 7.54 0.00 -0.26 -2.20 120.51 120.90 1rkj n ALA 98 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1rkj n ALA 98 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 -2.36 -3.48 0.00 0.00 0.15 -4.61 120.51 110.21 1rkj n ALA 99 Ca 0.00 0.32 -0.23 0.00 0.00 0.00 0.00 53.44 53.53 1rkj n ALA 99 Cb 0.00 -1.14 0.06 0.00 0.00 0.00 0.00 19.45 18.36 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 0.86 -1.91 -4.04 0.00 3.00 -1.13 -4.84 116.66 108.60 1rkj n ARG 100 Ca 0.00 0.66 -0.08 0.00 -0.01 0.00 0.00 57.85 58.42 1rkj n ARG 100 Cb 0.00 -4.99 -0.09 0.00 0.00 0.00 0.00 32.46 27.38 1rkj n ARG 100 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1rkj s THR 101 N -3.44 0.15 -0.10 0.55 -1.32 -0.56 -1.88 115.64 109.04 1rkj s THR 101 Ca 0.44 -1.64 -0.01 0.00 -1.21 0.00 0.00 61.69 59.27 1rkj s THR 101 Cb -0.11 -1.67 0.03 0.00 -1.51 0.00 0.00 72.50 69.24 1rkj s THR 101 CO 0.80 -0.68 -0.01 -0.22 -2.21 0.00 0.00 174.62 172.31 1rkj s LEU 102 N -2.95 0.80 -0.18 9.08 2.96 0.12 0.40 118.68 128.91 1rkj s LEU 102 Ca 0.13 -0.25 -0.11 0.00 -0.22 0.00 0.00 54.13 53.68 1rkj s LEU 102 Cb 0.07 -0.54 -0.05 0.00 0.50 0.00 0.00 46.19 46.16 1rkj s LEU 102 CO -0.06 -0.20 0.18 -0.22 -1.32 0.00 0.00 176.35 174.73 1rkj s LEU 103 N 1.90 4.24 -0.18 -0.68 2.96 0.39 -1.00 118.68 126.32 1rkj s LEU 103 Ca 0.04 0.34 -0.11 0.00 -0.22 0.00 0.00 54.13 54.18 1rkj s LEU 103 Cb -0.13 -2.17 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 1rkj s LEU 103 CO -0.06 0.19 0.18 0.00 -1.32 0.00 0.00 176.35 175.33 1rkj s ALA 104 N 0.21 3.68 0.35 5.97 0.00 0.23 -0.03 121.76 132.17 1rkj s ALA 104 Ca 0.11 -0.62 0.07 0.00 0.00 0.00 0.00 51.96 51.52 1rkj s ALA 104 Cb -0.12 -2.22 -0.01 0.00 0.00 0.00 0.00 23.12 20.77 1rkj s ALA 104 CO 0.00 0.17 0.42 0.15 0.00 0.00 0.00 175.76 176.51 1rkj s LYS 105 N 0.28 2.91 0.29 0.00 3.01 -0.16 -0.60 119.74 125.47 1rkj s LYS 105 Ca 0.11 -1.17 0.00 0.00 -1.01 0.00 0.00 55.97 53.89 1rkj s LYS 105 Cb -0.12 -2.67 0.00 0.00 -1.01 0.00 0.00 37.83 34.03 1rkj s LYS 105 CO 0.00 0.00 0.00 0.09 0.51 0.00 0.00 175.35 175.95 1rkj n ASN 106 N -1.58 -4.16 0.00 2.83 3.02 -0.39 0.35 115.26 115.33 1rkj n ASN 106 Ca 0.01 0.92 0.00 0.00 -0.03 0.00 0.00 54.58 55.48 1rkj n ASN 106 Cb 0.59 -2.01 0.00 0.00 -0.61 0.00 0.00 39.78 37.75 1rkj n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1rkj n LEU 107 N -2.09 0.00 -0.45 3.41 4.77 -0.88 -4.39 117.00 117.37 1rkj n LEU 107 Ca -0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 1rkj n LEU 107 Cb 0.24 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.37 1rkj n LEU 107 CO 0.00 0.00 0.39 -1.54 -1.33 0.00 0.00 177.39 174.91 1rkj n SER 108 N 0.00 1.89 0.00 -1.43 3.41 -1.26 -4.66 113.62 111.56 1rkj n SER 108 Ca 0.00 -1.44 0.00 0.00 -0.26 0.00 0.00 58.87 57.17 1rkj n SER 108 Cb 0.00 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1rkj n SER 108 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1rkj n PHE 109 N 0.47 0.00 0.09 7.33 -0.00 -1.26 -4.63 117.46 119.46 1rkj n PHE 109 Ca 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.50 1rkj n PHE 109 Cb 0.31 0.00 0.23 0.00 -0.00 0.00 0.00 39.48 40.02 1rkj n PHE 109 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 1rkj h ASN 110 N 0.00 0.27 -3.43 -2.13 4.21 -1.98 -3.45 115.58 109.07 1rkj h ASN 110 Ca 0.00 -0.11 -0.50 0.00 1.21 0.00 0.00 56.30 56.90 1rkj h ASN 110 Cb 0.00 -0.08 0.21 0.00 -1.12 0.00 0.00 38.32 37.34 1rkj h ASN 110 CO 0.00 0.64 -0.34 -0.38 -1.29 0.00 0.00 177.43 176.06 1rkj n ILE 111 N -4.05 0.00 -1.62 2.81 2.08 -1.26 -5.03 119.36 112.30 1rkj n ILE 111 Ca -0.01 -0.20 0.00 0.00 0.56 0.00 0.00 62.75 63.10 1rkj n ILE 111 Cb 0.46 -0.79 0.00 0.00 -0.75 0.00 0.00 39.64 38.56 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 -4.17 0.00 0.25 1.39 -2.24 -1.26 -4.99 114.28 103.27 1rkj n THR 112 Ca 0.07 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.94 1rkj n THR 112 Cb 0.55 0.00 0.67 0.00 -2.10 0.00 0.00 70.33 69.44 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 0.27 -0.78 5.08 -1.96 0.16 114.58 117.35 1rkj h GLU 113 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1rkj h GLU 113 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1rkj h GLU 113 CO 0.00 0.10 -0.45 0.22 -1.00 0.00 0.00 179.01 177.88 1rkj h ASP 114 N 0.00 -1.29 0.03 1.42 1.82 -1.98 0.36 116.42 116.78 1rkj h ASP 114 Ca -0.00 0.13 -0.25 0.00 -0.39 0.00 0.00 57.03 56.51 1rkj h ASP 114 Cb 0.21 0.46 0.02 0.00 0.68 0.00 0.00 39.33 40.70 1rkj h ASP 114 CO 0.01 -0.55 -1.00 -0.08 -1.61 0.00 0.00 179.24 176.01 1rkj h GLU 115 N -0.79 0.63 0.03 0.28 4.57 -1.91 -1.55 114.58 115.85 1rkj h GLU 115 Ca -0.01 -0.71 -0.00 0.00 -1.18 0.00 0.00 59.36 57.45 1rkj h GLU 115 Cb 0.75 0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 29.55 1rkj h GLU 115 CO -0.17 1.30 -0.06 -0.07 -1.18 0.00 0.00 179.01 178.83 1rkj h LEU 116 N 0.26 -0.17 -0.61 1.64 4.07 -0.55 0.33 115.31 120.28 1rkj h LEU 116 Ca -0.13 0.02 0.06 0.00 0.08 0.00 0.00 57.88 57.90 1rkj h LEU 116 Cb 1.68 0.06 -0.05 0.00 1.08 0.00 0.00 40.66 43.42 1rkj h LEU 116 CO 0.20 -0.07 0.32 0.50 -1.08 0.00 0.00 178.44 178.31 1rkj h LYS 117 N -0.10 0.58 -1.16 1.13 3.64 -0.42 -0.03 116.57 120.20 1rkj h LYS 117 Ca -0.00 -0.03 0.33 0.00 -1.27 0.00 0.00 60.65 59.67 1rkj h LYS 117 Cb 0.09 -0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 31.69 1rkj h LYS 117 CO -0.02 0.38 0.78 1.49 -2.27 0.00 0.00 179.45 179.81 1rkj h GLU 118 N 0.59 0.21 0.11 1.90 4.81 -1.00 0.47 114.58 121.67 1rkj h GLU 118 Ca 0.27 -0.01 -0.31 0.00 -0.13 0.00 0.00 59.36 59.18 1rkj h GLU 118 Cb 0.19 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1rkj h GLU 118 CO -0.19 0.14 -1.59 0.28 -0.73 0.00 0.00 179.01 176.92 1rkj h VAL 119 N 0.22 1.08 -2.56 0.32 2.07 0.83 -3.42 116.25 114.79 1rkj h VAL 119 Ca 0.64 -2.74 -0.59 0.00 0.82 0.00 0.00 66.70 64.83 1rkj h VAL 119 Cb 1.99 2.71 -0.39 0.00 -1.52 0.00 0.00 31.29 34.08 1rkj h VAL 119 CO -0.24 0.80 -0.88 0.72 0.02 0.00 0.00 177.57 177.99 1rkj s PHE 120 N -2.61 1.29 -2.36 1.57 -0.12 0.13 -4.75 117.98 111.14 1rkj s PHE 120 Ca -0.10 -2.23 0.28 0.00 -0.05 0.00 0.00 56.93 54.83 1rkj s PHE 120 Cb 0.07 -1.17 0.99 0.00 -0.63 0.00 0.00 43.02 42.27 1rkj s PHE 120 CO 0.84 -0.80 1.71 -1.91 -0.05 0.00 0.00 175.22 175.01 1rkj n GLU 121 N 3.18 1.51 -0.04 1.99 2.13 0.52 -3.73 120.64 126.20 1rkj n GLU 121 Ca 0.22 -0.88 0.12 0.00 0.66 0.00 0.00 57.16 57.27 1rkj n GLU 121 Cb 0.42 -1.48 0.48 0.00 0.27 0.00 0.00 31.44 31.13 1rkj n GLU 121 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1rkj n ASP 122 N 0.02 1.30 -4.92 4.31 8.00 -1.26 -4.89 116.55 119.11 1rkj n ASP 122 Ca 0.18 -1.57 -0.21 0.00 0.71 0.00 0.00 54.79 53.90 1rkj n ASP 122 Cb 0.36 -0.06 0.05 0.00 -0.02 0.00 0.00 41.12 41.45 1rkj n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rkj s ALA 123 N -1.89 3.95 0.00 2.24 0.00 -1.24 -4.79 121.76 120.03 1rkj s ALA 123 Ca 0.34 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1rkj s ALA 123 Cb 0.18 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.31 1rkj s ALA 123 CO 0.28 -0.87 0.00 1.47 0.00 0.00 0.00 175.76 176.64 1rkj n LEU 124 N -2.41 0.00 -3.96 0.00 -0.00 -0.76 -4.97 117.00 104.91 1rkj n LEU 124 Ca 0.10 -0.19 -0.31 0.00 -0.00 0.00 0.00 56.01 55.61 1rkj n LEU 124 Cb 0.60 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.87 1rkj n LEU 124 CO 0.44 0.00 -0.41 -0.70 -0.00 0.00 0.00 177.39 176.71 1rkj s GLU 125 N -1.45 1.67 -0.24 1.47 2.56 -0.86 -4.97 118.70 116.88 1rkj s GLU 125 Ca 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 54.97 53.78 1rkj s GLU 125 Cb 0.00 -2.67 0.00 0.00 2.00 0.00 0.00 34.13 33.46 1rkj s GLU 125 CO 0.00 -0.65 -0.02 0.42 -0.56 0.00 0.00 175.26 174.44 1rkj s ILE 126 N 1.30 3.36 -0.05 -3.70 1.01 -1.26 -0.85 121.20 121.01 1rkj s ILE 126 Ca -0.04 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.92 1rkj s ILE 126 Cb -0.19 -2.61 0.03 0.00 0.01 0.00 0.00 42.46 39.70 1rkj s ILE 126 CO -0.07 0.30 0.12 -0.13 0.00 0.00 0.00 174.94 175.16 1rkj s ARG 127 N 1.44 0.07 -0.05 2.79 0.52 -0.56 -5.04 118.95 118.13 1rkj s ARG 127 Ca 0.04 0.31 -0.03 0.00 -0.52 0.00 0.00 55.73 55.52 1rkj s ARG 127 Cb -0.15 -0.16 -0.04 0.00 0.52 0.00 0.00 34.95 35.12 1rkj s ARG 127 CO -0.03 -0.14 0.11 -0.48 0.02 0.00 0.00 175.30 174.79 1rkj s LEU 128 N 0.99 4.12 -0.33 2.53 2.34 -1.26 -0.08 118.68 126.99 1rkj s LEU 128 Ca -0.08 0.28 -0.02 0.00 0.06 0.00 0.00 54.13 54.38 1rkj s LEU 128 Cb -0.10 -2.26 0.12 0.00 -0.56 0.00 0.00 46.19 43.40 1rkj s LEU 128 CO -0.05 0.32 0.18 -0.69 -1.06 0.00 0.00 176.35 175.06 1rkj s VAL 129 N -1.15 0.03 -0.33 1.48 1.01 0.02 -4.89 120.40 116.56 1rkj s VAL 129 Ca 0.21 -1.28 0.16 0.00 0.00 0.00 0.00 61.98 61.07 1rkj s VAL 129 Cb -0.12 -1.04 0.45 0.00 0.00 0.00 0.00 36.38 35.66 1rkj s VAL 129 CO 0.11 -0.86 1.09 -1.20 0.00 0.00 0.00 175.10 174.24 1rkj n SER 130 N 4.56 0.56 0.00 3.32 7.64 -1.23 -1.40 113.62 127.08 1rkj n SER 130 Ca 0.04 -2.54 0.00 0.00 1.01 0.00 0.00 58.87 57.38 1rkj n SER 130 Cb 0.39 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1rkj n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rkj n GLN 131 N -0.32 0.00 0.00 1.43 6.02 -0.69 -4.54 117.38 119.28 1rkj n GLN 131 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1rkj n GLN 131 Cb 0.83 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.09 1rkj n GLN 131 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1rkj n ASP 132 N -1.66 0.00 -0.03 1.08 9.92 -1.26 -1.61 116.55 122.98 1rkj n ASP 132 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.23 1rkj n ASP 132 Cb 0.00 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.47 1rkj n ASP 132 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1rkj n GLY 133 N 0.00 -0.61 1.46 0.44 0.00 -1.26 -5.00 105.19 100.21 1rkj n GLY 133 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.29 0.00 0.00 1.61 4.76 -0.64 -5.13 118.16 115.47 1rkj n LYS 134 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1rkj n LYS 134 Cb 0.17 -0.27 0.00 0.00 -1.84 0.00 0.00 35.03 33.09 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 -3.44 0.00 -1.24 4.39 7.64 -1.24 -4.65 113.62 115.07 1rkj n SER 135 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1rkj n SER 135 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 -1.68 1.43 4.81 -1.26 -1.71 118.16 119.74 1rkj n LYS 136 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 1rkj n LYS 136 Cb 0.00 -1.64 -0.09 0.00 0.02 0.00 0.00 35.03 33.32 1rkj n LYS 136 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1rkj s GLY 137 N -2.89 -0.80 -0.06 3.14 0.00 -1.26 -3.54 107.32 101.91 1rkj s GLY 137 Ca 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 44.72 43.33 1rkj s GLY 137 CO 0.00 4.13 0.12 -0.42 0.00 0.00 0.00 173.10 176.93 1rkj s ILE 138 N 15.19 -0.16 -0.08 0.90 1.01 -0.49 -1.26 121.20 136.31 1rkj s ILE 138 Ca 0.82 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.79 1rkj s ILE 138 Cb -0.07 -0.23 -0.03 0.00 0.01 0.00 0.00 42.46 42.15 1rkj s ILE 138 CO 0.13 0.13 -0.07 0.00 0.00 0.00 0.00 174.94 175.14 1rkj s ALA 139 N 1.88 2.98 -0.04 9.38 0.00 0.23 -0.80 121.76 135.38 1rkj s ALA 139 Ca -0.01 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1rkj s ALA 139 Cb -0.12 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 1rkj s ALA 139 CO -0.05 0.52 -0.08 -0.47 0.00 0.00 0.00 175.76 175.68 1rkj s TYR 140 N -0.62 2.89 0.01 0.00 6.14 0.89 0.77 117.35 127.43 1rkj s TYR 140 Ca 0.09 -0.02 0.01 0.00 0.64 0.00 0.00 57.07 57.79 1rkj s TYR 140 Cb -0.12 -1.67 -0.01 0.00 0.42 0.00 0.00 41.96 40.59 1rkj s TYR 140 CO 0.02 0.33 -0.04 0.42 0.64 0.00 0.00 175.55 176.92 1rkj s ILE 141 N -0.86 0.26 0.09 3.14 1.09 -0.17 -1.50 121.20 123.24 1rkj s ILE 141 Ca 0.14 -0.53 0.08 0.00 -1.10 0.00 0.00 60.65 59.23 1rkj s ILE 141 Cb -0.11 -0.30 -0.04 0.00 -1.06 0.00 0.00 42.46 40.96 1rkj s ILE 141 CO 0.03 -0.18 -0.15 -0.70 -0.10 0.00 0.00 174.94 173.85 1rkj s GLU 142 N -0.76 2.00 0.23 2.79 2.12 -0.03 0.12 118.70 125.18 1rkj s GLU 142 Ca -0.06 -1.06 0.05 0.00 0.36 0.00 0.00 54.97 54.26 1rkj s GLU 142 Cb -0.05 -2.22 -0.05 0.00 0.26 0.00 0.00 34.13 32.07 1rkj s GLU 142 CO -0.00 0.51 -0.05 -0.06 -0.54 0.00 0.00 175.26 175.11 1rkj s PHE 143 N -1.11 1.63 -0.65 5.30 0.40 -0.79 -1.82 117.98 120.94 1rkj s PHE 143 Ca 0.18 -0.79 0.22 0.00 -0.60 0.00 0.00 56.93 55.95 1rkj s PHE 143 Cb -0.11 -0.90 0.90 0.00 0.51 0.00 0.00 43.02 43.42 1rkj s PHE 143 CO 0.10 0.12 1.68 1.17 0.70 0.00 0.00 175.22 178.99 1rkj n LYS 144 N -0.42 0.16 -3.66 0.44 3.00 -1.26 -4.41 118.16 112.00 1rkj n LYS 144 Ca -0.06 0.34 -0.01 0.00 -0.00 0.00 0.00 58.31 58.57 1rkj n LYS 144 Cb 0.63 -1.77 -0.01 0.00 0.00 0.00 0.00 35.03 33.88 1rkj n LYS 144 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1rkj s SER 145 N -3.98 -0.13 0.38 3.14 0.15 -1.26 -4.99 113.70 107.02 1rkj s SER 145 Ca 0.06 -0.23 0.27 0.00 0.70 0.00 0.00 55.95 56.75 1rkj s SER 145 Cb 0.10 0.30 0.84 0.00 -1.71 0.00 0.00 66.02 65.55 1rkj s SER 145 CO 0.40 -0.55 1.77 1.05 1.20 0.00 0.00 173.24 177.11 1rkj h GLU 146 N 2.00 0.00 0.13 5.44 9.09 -1.89 -3.19 114.58 126.16 1rkj h GLU 146 Ca -0.26 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.16 1rkj h GLU 146 Cb 1.21 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.28 1rkj h GLU 146 CO 0.27 0.00 -0.41 0.00 0.05 0.00 0.00 179.01 178.92 1rkj h ALA 147 N 2.18 -0.93 0.00 1.06 0.00 -1.99 0.42 119.26 120.00 1rkj h ALA 147 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1rkj h ALA 147 Cb 0.69 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1rkj h ALA 147 CO 0.00 -1.02 -0.20 -0.44 0.00 0.00 0.00 179.25 177.59 1rkj h ASP 148 N -0.62 0.00 -0.10 0.00 3.32 -1.95 -2.42 116.42 114.66 1rkj h ASP 148 Ca -0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1rkj h ASP 148 Cb 0.60 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 1rkj h ASP 148 CO -0.20 0.20 -0.03 0.00 -1.72 0.00 0.00 179.24 177.50 1rkj h ALA 149 N 1.80 0.14 -0.25 3.45 0.00 -1.35 -2.43 119.26 120.62 1rkj h ALA 149 Ca -0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1rkj h ALA 149 Cb 0.77 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1rkj h ALA 149 CO 0.03 -0.12 -0.35 1.49 0.00 0.00 0.00 179.25 180.29 1rkj h GLU 150 N -0.13 0.67 -0.17 0.00 4.81 -0.17 -1.07 114.58 118.53 1rkj h GLU 150 Ca 0.03 -0.39 0.05 0.00 -0.13 0.00 0.00 59.36 58.91 1rkj h GLU 150 Cb 0.44 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.79 1rkj h GLU 150 CO 0.01 1.01 -0.28 -0.22 -0.73 0.00 0.00 179.01 178.80 1rkj h LYS 151 N 0.39 -0.31 0.00 1.92 3.64 -1.46 -0.73 116.57 120.01 1rkj h LYS 151 Ca 0.03 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 1rkj h LYS 151 Cb 0.94 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1rkj h LYS 151 CO 0.08 -0.21 -0.37 -2.95 -2.27 0.00 0.00 179.45 173.73 1rkj h ASN 152 N -0.33 0.00 -0.10 4.20 7.08 -1.47 -1.35 115.58 123.61 1rkj h ASN 152 Ca 0.11 0.00 0.03 0.00 -3.08 0.00 0.00 56.30 53.36 1rkj h ASN 152 Cb 0.50 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.71 1rkj h ASN 152 CO -0.35 0.37 -0.08 0.25 -2.08 0.00 0.00 177.43 175.53 1rkj h LEU 153 N 0.00 -0.26 0.00 6.14 5.85 0.22 0.35 115.31 127.61 1rkj h LEU 153 Ca -0.00 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1rkj h LEU 153 Cb 0.84 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 1rkj h LEU 153 CO 0.05 -0.12 -0.92 1.05 -0.34 0.00 0.00 178.44 178.16 1rkj h GLU 154 N -0.10 0.00 0.00 1.25 4.11 -1.40 -3.14 114.58 115.30 1rkj h GLU 154 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 1rkj h GLU 154 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1rkj h GLU 154 CO -0.16 0.17 0.00 0.39 0.07 0.00 0.00 179.01 179.48 1rkj n GLU 155 N -2.89 0.00 0.23 1.06 -0.58 -0.51 -4.18 120.64 113.77 1rkj n GLU 155 Ca -0.02 0.17 0.13 0.00 -0.42 0.00 0.00 57.16 57.02 1rkj n GLU 155 Cb 0.67 -0.62 0.69 0.00 -0.57 0.00 0.00 31.44 31.61 1rkj n GLU 155 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1rkj h LYS 156 N 0.00 0.00 -4.53 3.49 1.79 -0.51 -3.44 116.57 113.37 1rkj h LYS 156 Ca 0.00 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 58.01 1rkj h LYS 156 Cb 0.00 0.00 0.13 0.00 -1.58 0.00 0.00 32.23 30.78 1rkj h LYS 156 CO 0.00 0.00 -0.82 0.94 -1.08 0.00 0.00 179.45 178.49 1rkj n GLN 157 N -2.49 0.00 -3.33 3.15 7.27 -1.04 -3.38 117.38 117.56 1rkj n GLN 157 Ca -0.02 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.80 1rkj n GLN 157 Cb 0.20 -0.75 0.03 0.00 2.41 0.00 0.00 30.24 32.13 1rkj n GLN 157 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1rkj n GLY 158 N 1.85 -0.24 3.63 1.69 0.00 -1.06 -4.94 105.19 106.11 1rkj n GLY 158 Ca 0.07 0.91 -0.34 0.00 0.00 0.00 0.00 46.02 46.65 1rkj n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rkj s ALA 159 N -1.52 3.35 0.00 4.61 0.00 -1.07 -4.84 121.76 122.29 1rkj s ALA 159 Ca 0.27 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1rkj s ALA 159 Cb -0.03 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.26 1rkj s ALA 159 CO 0.68 0.24 0.00 -1.91 0.00 0.00 0.00 175.76 174.77 1rkj n GLU 160 N 3.36 0.00 0.00 0.00 2.13 -1.26 -1.31 120.64 123.56 1rkj n GLU 160 Ca -0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.65 1rkj n GLU 160 Cb 0.52 -0.29 0.00 0.00 0.27 0.00 0.00 31.44 31.95 1rkj n GLU 160 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1rkj n ILE 161 N 0.00 0.00 -2.02 6.31 5.41 -1.26 -3.59 119.36 124.21 1rkj n ILE 161 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1rkj n ILE 161 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1rkj n ILE 161 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1rkj n ASP 162 N 0.56 0.02 -2.20 4.38 5.75 -1.26 -5.03 116.55 118.77 1rkj n ASP 162 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 54.79 54.55 1rkj n ASP 162 Cb 0.00 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.27 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 2.10 4.52 0.00 6.12 0.00 -1.26 -4.04 105.19 112.63 1rkj n GLY 163 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.15 0.28 -2.84 1.61 0.63 -1.26 -5.08 116.66 108.86 1rkj n ARG 164 Ca 0.59 -0.53 -0.13 0.00 -0.92 0.00 0.00 57.85 56.86 1rkj n ARG 164 Cb 1.65 -0.56 0.01 0.00 0.45 0.00 0.00 32.46 34.02 1rkj n ARG 164 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1rkj n SER 165 N -0.05 -4.98 -2.56 6.15 3.41 -1.24 -4.72 113.62 109.63 1rkj n SER 165 Ca 0.00 0.14 -0.23 0.00 -0.26 0.00 0.00 58.87 58.51 1rkj n SER 165 Cb 0.43 -1.29 0.02 0.00 -0.26 0.00 0.00 64.21 63.11 1rkj n SER 165 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1rkj n VAL 166 N 0.62 0.00 -3.62 -3.33 3.14 -0.43 -4.12 118.33 110.59 1rkj n VAL 166 Ca -0.03 -0.31 -0.22 0.00 -2.96 0.00 0.00 64.34 60.82 1rkj n VAL 166 Cb 0.47 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.23 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 -0.63 4.93 -0.30 6.55 0.01 0.15 -2.56 113.70 121.86 1rkj s SER 167 Ca 0.29 -0.88 -0.07 0.00 1.31 0.00 0.00 55.95 56.60 1rkj s SER 167 Cb -0.19 -0.27 0.17 0.00 0.21 0.00 0.00 66.02 65.94 1rkj s SER 167 CO 0.48 -0.81 0.73 -1.48 0.41 0.00 0.00 173.24 172.57 1rkj s LEU 168 N -4.20 -1.09 0.41 2.44 2.34 -1.26 -0.99 118.68 116.33 1rkj s LEU 168 Ca 0.46 0.95 0.07 0.00 0.06 0.00 0.00 54.13 55.66 1rkj s LEU 168 Cb -0.03 2.02 -0.07 0.00 -0.56 0.00 0.00 46.19 47.55 1rkj s LEU 168 CO 0.27 -0.20 0.05 -0.31 -1.06 0.00 0.00 176.35 175.09 1rkj s TYR 169 N 2.84 2.54 0.21 3.48 1.51 0.95 -4.81 117.35 124.07 1rkj s TYR 169 Ca 0.08 -0.64 0.01 0.00 -1.01 0.00 0.00 57.07 55.52 1rkj s TYR 169 Cb -0.12 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.89 1rkj s TYR 169 CO -0.19 0.39 0.37 1.52 -1.11 0.00 0.00 175.55 176.54 1rkj s TYR 170 N -2.68 3.48 0.01 2.71 1.13 -1.26 -0.46 117.35 120.28 1rkj s TYR 170 Ca 0.36 0.21 -0.01 0.00 -1.41 0.00 0.00 57.07 56.23 1rkj s TYR 170 Cb 0.08 -1.75 -0.01 0.00 -1.10 0.00 0.00 41.96 39.18 1rkj s TYR 170 CO 0.19 0.41 -0.00 -0.08 -2.51 0.00 0.00 175.55 173.55 1rkj s THR 171 N -1.89 0.06 0.07 -3.49 -1.32 0.16 -4.74 115.64 104.49 1rkj s THR 171 Ca 0.37 -0.50 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1rkj s THR 171 Cb -0.11 -0.17 0.00 0.00 -1.51 0.00 0.00 72.50 70.72 1rkj s THR 171 CO 0.30 -0.27 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 1rkj n GLY 172 N 2.24 -3.72 0.12 6.08 0.00 -0.93 -1.49 105.19 107.48 1rkj n GLY 172 Ca -0.19 -0.83 -0.01 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.19 -1.08 -0.05 1.61 4.07 -1.26 -3.53 120.64 120.21 1rkj n GLU 173 Ca 0.00 -0.04 -0.11 0.00 -0.06 0.00 0.00 57.16 56.95 1rkj n GLU 173 Cb 0.00 -0.06 -0.15 0.00 -0.06 0.00 0.00 31.44 31.17 1rkj n GLU 173 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1rkj n LYS 174 N -1.58 0.66 0.00 5.31 2.85 -1.26 -2.83 118.16 121.32 1rkj n LYS 174 Ca 0.00 0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.45 1rkj n LYS 174 Cb 0.02 -1.68 0.00 0.00 -0.65 0.00 0.00 35.03 32.72 1rkj n LYS 174 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76