#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 -2.12 0.20 1.61 2.88 -1.26 -5.00 113.62 109.93 1rkj n SER 2 Ca 0.00 -3.21 -0.12 0.00 -1.33 0.00 0.00 58.87 54.21 1rkj n SER 2 Cb 0.00 1.63 -0.07 0.00 -0.75 0.00 0.00 64.21 65.03 1rkj n SER 2 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1rkj h HIS 3 N 2.64 -0.52 0.00 0.66 -0.00 -2.01 -3.18 115.15 112.75 1rkj h HIS 3 Ca -0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.18 1rkj h HIS 3 Cb 1.16 0.17 0.00 0.00 -0.00 0.00 0.00 27.41 28.74 1rkj h HIS 3 CO 0.23 -0.21 0.00 1.98 -0.00 0.00 0.00 177.93 179.94 1rkj h MET 4 N -1.01 0.00 -1.82 2.45 4.05 -1.96 -3.49 114.93 113.15 1rkj h MET 4 Ca -0.06 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1rkj h MET 4 Cb 0.54 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1rkj h MET 4 CO 0.09 0.00 -0.36 0.28 0.23 0.00 0.00 176.91 177.15 1rkj n VAL 5 N -2.94 -4.15 0.00 -5.77 0.31 -1.20 -4.56 118.33 100.03 1rkj n VAL 5 Ca 0.01 1.12 0.00 0.00 -0.01 0.00 0.00 64.34 65.46 1rkj n VAL 5 Cb 0.29 -2.46 0.00 0.00 -0.91 0.00 0.00 33.84 30.77 1rkj n VAL 5 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1rkj n GLU 6 N 0.19 0.00 -2.05 5.55 4.07 -1.26 -4.76 120.64 122.38 1rkj n GLU 6 Ca 0.00 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.68 1rkj n GLU 6 Cb 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.35 1rkj n GLU 6 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1rkj s GLY 7 N 0.00 0.66 -0.19 8.31 0.00 -1.26 -4.67 107.32 110.17 1rkj s GLY 7 Ca 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 44.72 44.74 1rkj s GLY 7 CO 0.00 3.25 1.14 -1.14 0.00 0.00 0.00 173.10 176.35 1rkj n SER 8 N 10.83 -0.99 -4.42 1.64 3.41 -1.26 -4.57 113.62 118.27 1rkj n SER 8 Ca 0.21 -1.78 -0.28 0.00 -0.26 0.00 0.00 58.87 56.76 1rkj n SER 8 Cb 0.48 0.43 -0.12 0.00 -0.26 0.00 0.00 64.21 64.75 1rkj n SER 8 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1rkj s GLU 9 N 0.07 1.51 -0.46 4.33 0.41 -1.26 -5.06 118.70 118.24 1rkj s GLU 9 Ca 0.05 -1.42 0.07 0.00 -0.41 0.00 0.00 54.97 53.26 1rkj s GLU 9 Cb 0.25 -1.90 0.40 0.00 -1.78 0.00 0.00 34.13 31.10 1rkj s GLU 9 CO -0.07 0.43 1.04 0.43 -0.49 0.00 0.00 175.26 176.59 1rkj n SER 10 N 0.55 4.19 0.00 -0.19 7.64 -1.26 -5.03 113.62 119.52 1rkj n SER 10 Ca -0.15 -3.59 0.00 0.00 1.01 0.00 0.00 58.87 56.14 1rkj n SER 10 Cb 0.55 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 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 -0.35 0.00 -3.70 0.44 -2.24 -1.26 -4.54 114.28 102.63 1rkj n THR 11 Ca 0.34 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.97 1rkj n THR 11 Cb 0.61 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.04 0.11 4.28 -1.32 -1.26 -5.06 115.64 112.43 1rkj s THR 12 Ca 0.00 -0.36 -0.06 0.00 -1.21 0.00 0.00 61.69 60.06 1rkj s THR 12 Cb 0.00 -0.72 -0.21 0.00 -1.51 0.00 0.00 72.50 70.06 1rkj s THR 12 CO 0.00 -0.20 1.26 1.55 -2.21 0.00 0.00 174.62 175.02 1rkj h PRO 13 N 3.62 0.45 -3.94 7.08 0.13 -1.90 -3.45 132.00 133.98 1rkj h PRO 13 Ca -0.29 -0.51 -0.36 0.00 -0.87 0.00 0.00 66.00 63.97 1rkj h PRO 13 Cb 1.17 0.15 -0.08 0.00 0.13 0.00 0.00 31.00 32.37 1rkj h PRO 13 CO 0.40 1.16 1.46 1.19 -0.23 0.00 0.00 178.00 181.98 1rkj n PHE 14 N -3.74 0.31 -4.45 1.56 3.72 -1.26 -4.84 117.46 108.75 1rkj n PHE 14 Ca -0.08 0.21 -0.29 0.00 -0.05 0.00 0.00 57.45 57.24 1rkj n PHE 14 Cb 0.87 -1.42 -0.08 0.00 -0.94 0.00 0.00 39.48 37.91 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 4.92 4.19 -0.11 4.37 2.20 -1.26 0.43 114.94 129.68 1rkj s ASN 15 Ca 1.06 -1.37 -0.30 0.00 -0.94 0.00 0.00 52.86 51.31 1rkj s ASN 15 Cb -0.89 -0.03 0.09 0.00 -2.00 0.00 0.00 41.25 38.42 1rkj s ASN 15 CO 0.41 -0.68 0.79 -0.22 -2.94 0.00 0.00 177.10 174.45 1rkj s LEU 16 N -3.88 -0.58 -0.15 3.54 2.96 0.16 -4.68 118.68 116.04 1rkj s LEU 16 Ca 0.27 0.71 -0.06 0.00 -0.22 0.00 0.00 54.13 54.83 1rkj s LEU 16 Cb 0.04 2.31 -0.04 0.00 0.50 0.00 0.00 46.19 49.01 1rkj s LEU 16 CO 0.15 -0.48 0.03 0.12 -1.32 0.00 0.00 176.35 174.85 1rkj s PHE 17 N -0.95 3.21 -0.10 5.38 2.19 -0.81 -1.75 117.98 125.15 1rkj s PHE 17 Ca -0.07 0.05 -0.02 0.00 0.33 0.00 0.00 56.93 57.22 1rkj s PHE 17 Cb -0.01 -1.99 0.04 0.00 -1.31 0.00 0.00 43.02 39.75 1rkj s PHE 17 CO 0.06 0.21 0.02 0.42 1.83 0.00 0.00 175.22 177.76 1rkj s ILE 18 N 0.03 0.33 0.36 3.12 1.01 0.11 -1.09 121.20 125.08 1rkj s ILE 18 Ca 0.04 -0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.72 1rkj s ILE 18 Cb -0.12 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 1rkj s ILE 18 CO 0.01 0.12 0.12 -0.83 0.00 0.00 0.00 174.94 174.37 1rkj s GLY 19 N 1.98 2.32 -0.95 6.18 0.00 -0.78 -1.08 107.32 114.99 1rkj s GLY 19 Ca 0.04 -1.57 -0.04 0.00 0.00 0.00 0.00 44.72 43.15 1rkj s GLY 19 CO -0.06 -1.75 0.82 -2.01 0.00 0.00 0.00 173.10 170.10 1rkj n ASN 20 N -1.06 -3.85 -0.29 1.64 5.15 -1.26 -1.33 115.26 114.26 1rkj n ASN 20 Ca -0.03 -0.42 0.03 0.00 -0.60 0.00 0.00 54.58 53.56 1rkj n ASN 20 Cb 0.65 -3.87 0.10 0.00 -0.53 0.00 0.00 39.78 36.13 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 -3.60 0.84 -1.05 1.20 4.32 -1.26 -4.15 117.00 113.30 1rkj n LEU 21 Ca -0.09 -0.42 0.00 0.00 -0.02 0.00 0.00 56.01 55.48 1rkj n LEU 21 Cb 0.58 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 1rkj n LEU 21 CO 0.47 0.21 0.00 -3.20 -1.22 0.00 0.00 177.39 173.65 1rkj n ASN 22 N -0.05 -1.41 -3.56 -1.43 4.05 -1.26 -4.73 115.26 106.87 1rkj n ASN 22 Ca 0.06 0.00 -0.41 0.00 0.45 0.00 0.00 54.58 54.68 1rkj n ASN 22 Cb 0.14 -0.46 -0.06 0.00 1.23 0.00 0.00 39.78 40.63 1rkj n ASN 22 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1rkj n PRO 23 N -0.94 1.45 0.00 1.20 -0.04 -1.26 -3.40 135.00 132.00 1rkj n PRO 23 Ca 0.00 -1.74 0.00 0.00 -0.04 0.00 0.00 63.50 61.72 1rkj n PRO 23 Cb 0.35 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 30.98 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 7.21 0.00 0.04 3.54 2.85 -1.26 -4.99 115.26 122.64 1rkj n ASN 24 Ca 0.48 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.94 1rkj n ASN 24 Cb 0.37 0.13 -0.01 0.00 1.24 0.00 0.00 39.78 41.52 1rkj n ASN 24 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1rkj h LYS 25 N 0.00 -0.09 -0.37 1.20 1.57 -1.95 -3.47 116.57 113.46 1rkj h LYS 25 Ca 0.00 0.01 0.21 0.00 -1.87 0.00 0.00 60.65 58.99 1rkj h LYS 25 Cb 0.00 0.02 -0.20 0.00 0.08 0.00 0.00 32.23 32.13 1rkj h LYS 25 CO 0.00 -0.06 0.02 0.45 -0.57 0.00 0.00 179.45 179.28 1rkj s SER 26 N -2.67 -0.56 0.11 0.86 0.15 -1.26 -5.06 113.70 105.26 1rkj s SER 26 Ca -0.01 0.19 -0.21 0.00 0.70 0.00 0.00 55.95 56.61 1rkj s SER 26 Cb 0.00 1.40 -0.05 0.00 -1.71 0.00 0.00 66.02 65.67 1rkj s SER 26 CO 0.04 -0.10 1.34 0.52 1.20 0.00 0.00 173.24 176.24 1rkj n VAL 27 N 5.31 -0.47 -0.22 4.45 0.31 -1.26 0.31 118.33 126.76 1rkj n VAL 27 Ca 0.01 2.08 0.20 0.00 -0.01 0.00 0.00 64.34 66.62 1rkj n VAL 27 Cb 0.55 -2.61 0.37 0.00 -0.91 0.00 0.00 33.84 31.24 1rkj n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rkj n ALA 28 N -3.19 0.64 0.20 3.52 0.00 -1.26 0.26 120.51 120.68 1rkj n ALA 28 Ca 0.01 0.70 -0.09 0.00 0.00 0.00 0.00 53.44 54.06 1rkj n ALA 28 Cb 0.18 -0.67 -0.05 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.55 -0.80 0.00 4.39 -0.56 -2.61 114.58 114.46 1rkj h GLU 29 Ca 0.55 0.04 0.10 0.00 0.34 0.00 0.00 59.36 60.39 1rkj h GLU 29 Cb 1.42 0.12 -0.12 0.00 -0.10 0.00 0.00 28.75 30.08 1rkj h GLU 29 CO -0.54 -0.34 -0.37 1.28 -1.16 0.00 0.00 179.01 177.88 1rkj n LEU 30 N -5.15 -0.64 0.22 1.33 4.77 0.14 0.59 117.00 118.26 1rkj n LEU 30 Ca -0.07 1.40 -0.15 0.00 -0.03 0.00 0.00 56.01 57.16 1rkj n LEU 30 Cb 0.24 -0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 40.98 1rkj n LEU 30 CO 0.18 -1.21 0.68 0.07 -1.33 0.00 0.00 177.39 175.78 1rkj h LYS 31 N 0.00 -0.60 -0.19 3.23 5.09 -1.50 -2.57 116.57 120.02 1rkj h LYS 31 Ca 0.22 0.04 0.05 0.00 0.09 0.00 0.00 60.65 61.06 1rkj h LYS 31 Cb 0.42 0.14 -0.07 0.00 0.10 0.00 0.00 32.23 32.82 1rkj h LYS 31 CO -0.77 -0.40 -0.29 0.28 -2.09 0.00 0.00 179.45 176.17 1rkj h VAL 32 N -0.63 0.33 -0.99 0.07 2.07 0.06 0.21 116.25 117.36 1rkj h VAL 32 Ca -0.03 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.63 1rkj h VAL 32 Cb 0.55 0.33 -0.15 0.00 -1.52 0.00 0.00 31.29 30.49 1rkj h VAL 32 CO -0.01 0.00 -0.43 0.00 0.02 0.00 0.00 177.57 177.15 1rkj h ALA 33 N 0.59 0.02 -0.49 1.67 0.00 0.35 2.36 119.26 123.75 1rkj h ALA 33 Ca 0.12 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1rkj h ALA 33 Cb 0.51 1.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1rkj h ALA 33 CO -0.37 -0.69 0.23 0.82 0.00 0.00 0.00 179.25 179.23 1rkj h ILE 34 N -0.00 1.17 0.00 0.00 5.03 -0.87 -2.05 117.51 120.78 1rkj h ILE 34 Ca 0.31 -0.48 0.00 0.00 -0.12 0.00 0.00 64.86 64.57 1rkj h ILE 34 Cb 0.56 0.55 0.00 0.00 -3.03 0.00 0.00 36.82 34.90 1rkj h ILE 34 CO -0.98 0.20 0.00 -0.24 -0.68 0.00 0.00 178.15 176.45 1rkj n SER 35 N -4.38 0.00 -0.38 1.72 2.88 0.75 -1.93 113.62 112.27 1rkj n SER 35 Ca 0.04 0.53 0.32 0.00 -1.33 0.00 0.00 58.87 58.43 1rkj n SER 35 Cb 0.13 -0.10 0.54 0.00 -0.75 0.00 0.00 64.21 64.03 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 -0.79 -0.03 0.02 -1.46 1.02 0.16 0.24 120.64 119.80 1rkj n GLU 36 Ca 0.00 0.98 -0.12 0.00 -0.02 0.00 0.00 57.16 58.01 1rkj n GLU 36 Cb 0.00 -1.96 -0.07 0.00 -0.02 0.00 0.00 31.44 29.40 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 0.04 -1.35 -4.62 7.12 -1.24 0.41 115.31 115.66 1rkj h LEU 37 Ca 0.70 -0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.65 1rkj h LEU 37 Cb 2.29 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 42.41 1rkj h LEU 37 CO -0.35 0.09 0.00 -0.26 -0.13 0.00 0.00 178.44 177.79 1rkj h PHE 38 N -0.02 0.00 0.00 1.25 0.04 0.37 -1.63 116.94 116.96 1rkj h PHE 38 Ca 0.01 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.68 1rkj h PHE 38 Cb 0.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 1rkj h PHE 38 CO -0.06 0.00 -0.63 0.00 -0.60 0.00 0.00 178.31 177.02 1rkj h ALA 39 N 2.10 0.11 0.00 2.45 0.00 -0.39 0.34 119.26 123.87 1rkj h ALA 39 Ca 0.00 -0.74 -0.02 0.00 0.00 0.00 0.00 54.91 54.16 1rkj h ALA 39 Cb 0.36 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1rkj h ALA 39 CO 0.00 0.40 -0.07 0.87 0.00 0.00 0.00 179.25 180.45 1rkj h LYS 40 N -1.00 0.00 -0.12 0.00 1.57 -0.17 0.09 116.57 116.94 1rkj h LYS 40 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1rkj h LYS 40 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1rkj h LYS 40 CO -0.09 0.07 0.00 -1.71 -0.57 0.00 0.00 179.45 177.15 1rkj n ASN 41 N -3.74 1.19 -1.89 0.86 2.85 -0.62 -4.89 115.26 109.03 1rkj n ASN 41 Ca -0.02 -1.63 -0.19 0.00 -0.11 0.00 0.00 54.58 52.62 1rkj n ASN 41 Cb 0.17 -0.08 -0.04 0.00 1.24 0.00 0.00 39.78 41.08 1rkj n ASN 41 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1rkj n ASP 42 N 0.01 -5.40 0.13 1.20 9.92 0.02 -4.86 116.55 117.58 1rkj n ASP 42 Ca 0.15 0.17 0.08 0.00 -0.53 0.00 0.00 54.79 54.67 1rkj n ASP 42 Cb 0.25 -4.49 0.04 0.00 -0.64 0.00 0.00 41.12 36.28 1rkj n ASP 42 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1rkj h LEU 43 N 0.00 0.00 -3.01 0.64 4.07 -0.63 -3.49 115.31 112.89 1rkj h LEU 43 Ca -0.43 0.00 -0.30 0.00 0.08 0.00 0.00 57.88 57.23 1rkj h LEU 43 Cb 1.30 0.00 0.06 0.00 1.08 0.00 0.00 40.66 43.09 1rkj h LEU 43 CO 0.55 0.16 -0.70 0.00 -1.08 0.00 0.00 178.44 177.37 1rkj n ALA 44 N -2.20 -2.58 -1.30 1.53 0.00 0.17 -4.45 120.51 111.68 1rkj n ALA 44 Ca -0.00 -0.14 -0.49 0.00 0.00 0.00 0.00 53.44 52.81 1rkj n ALA 44 Cb 0.62 -2.90 -0.13 0.00 0.00 0.00 0.00 19.45 17.04 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 -3.10 0.00 0.03 0.00 3.14 -1.25 -4.56 118.33 112.58 1rkj n VAL 45 Ca -0.11 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.26 1rkj n VAL 45 Cb 0.59 -0.48 -0.01 0.00 -1.06 0.00 0.00 33.84 32.89 1rkj n VAL 45 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1rkj h VAL 46 N 7.10 0.00 -2.81 1.55 2.07 -1.28 -3.45 116.25 119.43 1rkj h VAL 46 Ca -0.07 0.00 -0.59 0.00 0.82 0.00 0.00 66.70 66.86 1rkj h VAL 46 Cb 1.30 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.98 1rkj h VAL 46 CO 1.17 0.00 -0.61 -0.62 0.02 0.00 0.00 177.57 177.53 1rkj s ASP 47 N -2.33 5.14 -0.35 0.57 2.15 -0.93 -4.85 116.67 116.08 1rkj s ASP 47 Ca -0.01 -0.26 0.06 0.00 0.43 0.00 0.00 52.55 52.76 1rkj s ASP 47 Cb 0.00 -1.23 0.18 0.00 -0.30 0.00 0.00 42.92 41.58 1rkj s ASP 47 CO 0.05 0.08 0.55 0.68 -0.17 0.00 0.00 175.17 176.36 1rkj s VAL 48 N -1.73 -0.86 0.12 1.11 -7.23 -1.26 -1.91 120.40 108.64 1rkj s VAL 48 Ca 0.29 -0.16 0.08 0.00 -1.81 0.00 0.00 61.98 60.38 1rkj s VAL 48 Cb -0.10 -0.56 -0.04 0.00 0.56 0.00 0.00 36.38 36.25 1rkj s VAL 48 CO 0.21 -0.11 -0.20 -0.60 -0.31 0.00 0.00 175.10 174.09 1rkj s ARG 49 N 2.23 1.16 0.50 4.82 3.52 -0.83 -5.00 118.95 125.35 1rkj s ARG 49 Ca 0.13 -1.24 0.07 0.00 -0.13 0.00 0.00 55.73 54.56 1rkj s ARG 49 Cb -0.09 -1.34 0.02 0.00 -1.56 0.00 0.00 34.95 31.99 1rkj s ARG 49 CO -0.16 0.30 0.47 0.95 -0.81 0.00 0.00 175.30 176.04 1rkj s THR 50 N -1.49 2.15 -0.26 4.11 -4.23 -1.26 0.28 115.64 114.95 1rkj s THR 50 Ca 0.09 -1.33 -0.04 0.00 -1.18 0.00 0.00 61.69 59.23 1rkj s THR 50 Cb -0.08 -2.49 0.09 0.00 1.34 0.00 0.00 72.50 71.36 1rkj s THR 50 CO 0.05 0.00 0.12 -0.83 -0.54 0.00 0.00 174.62 173.42 1rkj s GLY 51 N -4.30 0.48 0.37 3.99 0.00 0.17 -4.81 107.32 103.22 1rkj s GLY 51 Ca 0.45 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 44.25 1rkj s GLY 51 CO 0.27 1.97 0.00 2.41 0.00 0.00 0.00 173.10 177.75 1rkj n THR 52 N 5.24 -5.26 0.00 0.90 -1.04 -1.26 -1.76 114.28 111.10 1rkj n THR 52 Ca -0.06 2.44 0.00 0.00 -2.04 0.00 0.00 64.05 64.39 1rkj n THR 52 Cb 0.44 -3.16 0.00 0.00 -1.82 0.00 0.00 70.33 65.78 1rkj n THR 52 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1rkj n ASN 53 N 0.39 0.00 -3.21 8.00 0.23 -1.26 -1.27 115.26 118.14 1rkj n ASN 53 Ca 0.00 0.00 -0.22 0.00 -0.53 0.00 0.00 54.58 53.83 1rkj n ASN 53 Cb 0.00 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.63 1rkj n ASN 53 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1rkj n ARG 54 N -3.12 0.43 0.00 -3.83 1.74 -1.26 -4.80 116.66 105.81 1rkj n ARG 54 Ca 0.00 -2.96 0.00 0.00 -0.77 0.00 0.00 57.85 54.12 1rkj n ARG 54 Cb 0.00 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 1rkj n ARG 54 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1rkj n LYS 55 N 2.32 0.00 -3.83 5.56 0.00 -0.40 -5.06 118.16 116.76 1rkj n LYS 55 Ca 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 58.31 58.47 1rkj n LYS 55 Cb 0.51 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.55 1rkj n LYS 55 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 1rkj s PHE 56 N -0.84 0.03 0.00 5.64 -0.12 -0.88 -4.71 117.98 117.10 1rkj s PHE 56 Ca 0.00 -0.63 -0.01 0.00 -0.05 0.00 0.00 56.93 56.25 1rkj s PHE 56 Cb 0.00 0.78 -0.01 0.00 -0.63 0.00 0.00 43.02 43.17 1rkj s PHE 56 CO 0.00 -1.46 0.00 0.20 -0.05 0.00 0.00 175.22 173.92 1rkj s GLY 57 N -3.02 0.07 0.23 1.99 0.00 -0.24 0.43 107.32 106.79 1rkj s GLY 57 Ca 0.14 -0.17 0.09 0.00 0.00 0.00 0.00 44.72 44.78 1rkj s GLY 57 CO 0.10 -0.20 -0.01 -0.19 0.00 0.00 0.00 173.10 172.80 1rkj s TYR 58 N -0.51 2.73 -0.27 1.90 1.51 0.14 -0.71 117.35 122.15 1rkj s TYR 58 Ca -0.06 -0.20 -0.22 0.00 -1.01 0.00 0.00 57.07 55.58 1rkj s TYR 58 Cb -0.04 -1.25 0.08 0.00 -0.11 0.00 0.00 41.96 40.64 1rkj s TYR 58 CO -0.00 0.58 0.74 0.54 -1.11 0.00 0.00 175.55 176.29 1rkj s VAL 59 N -2.09 0.00 -0.02 0.71 0.11 -0.72 -1.96 120.40 116.43 1rkj s VAL 59 Ca 0.30 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.35 1rkj s VAL 59 Cb -0.07 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.74 1rkj s VAL 59 CO 0.19 0.00 0.01 -1.81 -3.33 0.00 0.00 175.10 170.16 1rkj s ASP 60 N 0.77 5.20 0.18 3.54 1.11 -0.80 0.37 116.67 127.04 1rkj s ASP 60 Ca -0.03 0.04 0.01 0.00 0.18 0.00 0.00 52.55 52.75 1rkj s ASP 60 Cb -0.05 -1.40 -0.04 0.00 1.07 0.00 0.00 42.92 42.51 1rkj s ASP 60 CO -0.06 0.30 0.33 -0.36 1.18 0.00 0.00 175.17 176.56 1rkj s PHE 61 N -1.06 3.48 0.28 4.23 0.08 0.17 -0.91 117.98 124.26 1rkj s PHE 61 Ca 0.19 0.19 0.01 0.00 0.12 0.00 0.00 56.93 57.44 1rkj s PHE 61 Cb -0.12 -1.73 0.56 0.00 -0.57 0.00 0.00 43.02 41.17 1rkj s PHE 61 CO 0.09 0.46 1.82 1.49 -0.10 0.00 0.00 175.22 178.97 1rkj h GLU 62 N 2.01 0.89 0.00 0.44 4.57 -1.80 -3.42 114.58 117.27 1rkj h GLU 62 Ca -0.48 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.64 1rkj h GLU 62 Cb 1.20 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 1rkj h GLU 62 CO 0.68 0.59 0.00 0.45 -1.18 0.00 0.00 179.01 179.55 1rkj n SER 63 N -4.67 0.00 -0.47 1.04 2.88 -1.26 -4.93 113.62 106.21 1rkj n SER 63 Ca 0.19 0.00 0.36 0.00 -1.33 0.00 0.00 58.87 58.09 1rkj n SER 63 Cb 0.38 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.41 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 -0.78 1.28 0.02 -1.46 0.00 -1.26 -0.12 120.51 118.19 1rkj n ALA 64 Ca 0.00 0.51 -0.01 0.00 0.00 0.00 0.00 53.44 53.95 1rkj n ALA 64 Cb 0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.04 -0.87 0.00 4.57 -1.99 -1.09 114.58 115.16 1rkj h GLU 65 Ca 0.67 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.94 1rkj h GLU 65 Cb 2.57 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 31.11 1rkj h GLU 65 CO -0.09 -0.03 0.56 -0.44 -1.18 0.00 0.00 179.01 177.83 1rkj h ASP 66 N -0.06 0.79 0.00 1.04 3.32 -1.02 -1.91 116.42 118.59 1rkj h ASP 66 Ca -0.00 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.08 1rkj h ASP 66 Cb 0.03 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1rkj h ASP 66 CO 0.01 0.48 -0.07 0.25 -1.72 0.00 0.00 179.24 178.18 1rkj h LEU 67 N 0.88 -0.20 -0.52 1.55 6.46 -0.59 -1.22 115.31 121.68 1rkj h LEU 67 Ca 0.40 0.03 0.09 0.00 -0.12 0.00 0.00 57.88 58.28 1rkj h LEU 67 Cb 0.37 0.08 -0.07 0.00 -0.73 0.00 0.00 40.66 40.31 1rkj h LEU 67 CO -0.16 -0.10 0.09 -0.08 -0.62 0.00 0.00 178.44 177.56 1rkj h GLU 68 N -0.12 0.21 -0.28 1.25 4.81 -0.41 -1.40 114.58 118.64 1rkj h GLU 68 Ca 0.03 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1rkj h GLU 68 Cb 0.16 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.44 1rkj h GLU 68 CO -0.07 0.14 -0.00 -0.22 -0.73 0.00 0.00 179.01 178.13 1rkj h LYS 69 N 0.22 0.08 -0.05 1.92 3.64 -1.00 -2.45 116.57 118.93 1rkj h LYS 69 Ca 0.26 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1rkj h LYS 69 Cb 0.37 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1rkj h LYS 69 CO -0.35 0.05 -0.18 0.00 -2.27 0.00 0.00 179.45 176.69 1rkj h ALA 70 N 1.25 -0.59 -0.98 5.00 0.00 -0.15 -1.06 119.26 122.73 1rkj h ALA 70 Ca 0.14 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.16 1rkj h ALA 70 Cb 0.18 0.72 -0.15 0.00 0.00 0.00 0.00 17.79 18.54 1rkj h ALA 70 CO -0.23 -0.65 -0.43 -0.11 0.00 0.00 0.00 179.25 177.82 1rkj n LEU 71 N -3.53 -0.74 -0.11 0.00 -0.00 -0.89 0.26 117.00 111.98 1rkj n LEU 71 Ca -0.02 1.72 0.26 0.00 -0.00 0.00 0.00 56.01 57.96 1rkj n LEU 71 Cb 0.13 -0.35 0.72 0.00 -0.00 0.00 0.00 43.42 43.91 1rkj n LEU 71 CO 0.03 -1.50 1.24 -0.08 -0.00 0.00 0.00 177.39 177.07 1rkj h GLU 72 N 0.00 0.00 -3.50 1.96 4.81 -0.92 -3.20 114.58 113.73 1rkj h GLU 72 Ca 0.29 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 58.84 1rkj h GLU 72 Cb 0.54 0.00 -0.36 0.00 0.63 0.00 0.00 28.75 29.55 1rkj h GLU 72 CO -0.96 0.00 -0.39 -0.51 -0.73 0.00 0.00 179.01 176.42 1rkj s LEU 73 N -8.52 5.10 0.50 1.64 1.43 0.73 -5.08 118.68 114.48 1rkj s LEU 73 Ca -0.05 -2.98 -0.12 0.00 -1.03 0.00 0.00 54.13 49.95 1rkj s LEU 73 Cb 0.21 -1.82 -0.10 0.00 0.03 0.00 0.00 46.19 44.50 1rkj s LEU 73 CO 0.75 -0.32 -0.29 1.07 0.23 0.00 0.00 176.35 177.78 1rkj n THR 74 N 3.29 0.00 0.00 5.49 5.66 -1.21 -4.76 114.28 122.75 1rkj n THR 74 Ca 0.09 -0.35 0.00 0.00 -3.05 0.00 0.00 64.05 60.74 1rkj n THR 74 Cb 0.37 0.00 0.00 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 2.04 0.00 0.00 1.09 0.00 -1.26 -4.91 105.19 102.14 1rkj n GLY 75 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.00 -0.38 0.99 -0.00 -1.26 -5.08 117.00 111.27 1rkj n LEU 76 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1rkj n LEU 76 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1rkj n LEU 76 CO 0.00 0.00 -0.12 0.29 -0.00 0.00 0.00 177.39 177.56 1rkj n LYS 77 N 0.00 -1.00 -4.36 1.96 5.02 -1.26 -4.98 118.16 113.53 1rkj n LYS 77 Ca 0.00 0.78 -0.29 0.00 -2.02 0.00 0.00 58.31 56.78 1rkj n LYS 77 Cb 0.00 -0.96 -0.12 0.00 -0.02 0.00 0.00 35.03 33.93 1rkj n LYS 77 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1rkj s VAL 78 N -4.08 2.48 -1.02 -0.18 -7.23 -1.10 -4.68 120.40 104.58 1rkj s VAL 78 Ca 0.00 -1.71 -0.13 0.00 -1.81 0.00 0.00 61.98 58.33 1rkj s VAL 78 Cb 0.00 -2.12 0.13 0.00 0.56 0.00 0.00 36.38 34.94 1rkj s VAL 78 CO 0.00 0.06 0.32 0.49 -0.31 0.00 0.00 175.10 175.67 1rkj n PHE 79 N 0.77 -1.32 0.00 2.82 3.01 -1.26 -0.73 117.46 120.76 1rkj n PHE 79 Ca -0.16 0.37 0.00 0.00 1.01 0.00 0.00 57.45 58.67 1rkj n PHE 79 Cb 0.53 -1.35 0.00 0.00 -0.01 0.00 0.00 39.48 38.65 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 -0.78 1.92 3.08 1.37 0.00 -1.26 -4.98 105.19 104.54 1rkj n GLY 80 Ca 0.06 -0.23 -0.48 0.00 0.00 0.00 0.00 46.02 45.37 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 3.19 -0.50 -4.78 1.61 4.13 0.10 -4.90 115.26 114.11 1rkj n ASN 81 Ca 0.00 1.02 -0.30 0.00 1.68 0.00 0.00 54.58 56.98 1rkj n ASN 81 Cb 0.00 -0.83 0.10 0.00 -1.54 0.00 0.00 39.78 37.51 1rkj n ASN 81 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1rkj s GLU 82 N -0.39 1.84 0.21 3.52 2.02 -1.26 -2.71 118.70 121.92 1rkj s GLU 82 Ca 0.70 0.67 0.02 0.00 0.02 0.00 0.00 54.97 56.39 1rkj s GLU 82 Cb -1.00 -1.89 -0.01 0.00 0.10 0.00 0.00 34.13 31.34 1rkj s GLU 82 CO 0.50 -1.80 0.06 0.44 0.02 0.00 0.00 175.26 174.49 1rkj n ILE 83 N -3.56 0.00 -4.43 -1.63 -5.35 -1.26 -4.75 119.36 98.37 1rkj n ILE 83 Ca 0.07 -1.20 -0.20 0.00 -0.27 0.00 0.00 62.75 61.14 1rkj n ILE 83 Cb 0.56 0.41 -0.15 0.00 -1.74 0.00 0.00 39.64 38.72 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 -2.80 0.98 0.08 6.28 1.02 -0.44 -5.01 119.74 119.85 1rkj s LYS 84 Ca 0.09 -0.34 0.04 0.00 0.02 0.00 0.00 55.97 55.78 1rkj s LYS 84 Cb 0.00 -0.92 -0.04 0.00 -0.52 0.00 0.00 37.83 36.36 1rkj s LYS 84 CO 0.06 0.15 0.01 -0.51 -0.92 0.00 0.00 175.35 174.15 1rkj s LEU 85 N 0.07 3.53 0.15 3.17 1.02 -1.26 -1.87 118.68 123.49 1rkj s LEU 85 Ca -0.01 -0.14 -0.10 0.00 0.02 0.00 0.00 54.13 53.90 1rkj s LEU 85 Cb -0.08 -2.24 0.00 0.00 0.02 0.00 0.00 46.19 43.90 1rkj s LEU 85 CO 0.00 0.18 0.31 -1.61 0.02 0.00 0.00 176.35 175.25 1rkj s GLU 86 N -2.28 1.13 0.44 1.70 2.02 -0.25 -4.98 118.70 116.48 1rkj s GLU 86 Ca 0.26 -1.07 0.07 0.00 0.02 0.00 0.00 54.97 54.25 1rkj s GLU 86 Cb -0.12 0.40 0.01 0.00 0.10 0.00 0.00 34.13 34.52 1rkj s GLU 86 CO 0.19 -0.42 0.60 0.15 0.02 0.00 0.00 175.26 175.80 1rkj s LYS 87 N -3.93 2.78 0.09 1.61 1.02 -1.26 -1.92 119.74 118.13 1rkj s LYS 87 Ca 0.13 -1.18 -0.34 0.00 0.02 0.00 0.00 55.97 54.60 1rkj s LYS 87 Cb 0.03 -2.72 -0.14 0.00 -0.52 0.00 0.00 37.83 34.48 1rkj s LYS 87 CO -0.03 -0.34 1.62 -2.30 -0.92 0.00 0.00 175.35 173.38 1rkj n PRO 88 N -1.93 2.00 -0.09 -1.68 -0.02 -1.26 -4.50 135.00 127.52 1rkj n PRO 88 Ca 0.08 0.72 -0.10 0.00 -2.02 0.00 0.00 63.50 62.18 1rkj n PRO 88 Cb 0.59 -2.49 -0.12 0.00 -0.02 0.00 0.00 33.50 31.46 1rkj n PRO 88 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1rkj n LYS 89 N 4.04 1.07 -2.06 -0.52 3.00 -1.26 -4.99 118.16 117.44 1rkj n LYS 89 Ca 0.19 0.04 -0.13 0.00 -0.00 0.00 0.00 58.31 58.40 1rkj n LYS 89 Cb 0.27 -1.41 -0.02 0.00 0.00 0.00 0.00 35.03 33.86 1rkj n LYS 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1rkj n GLY 90 N 2.18 0.11 3.71 3.14 0.00 -1.26 -4.92 105.19 108.15 1rkj n GLY 90 Ca -0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 1rkj n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rkj s ARG 91 N -4.35 4.26 -0.32 1.61 1.81 -1.26 -5.06 118.95 115.65 1rkj s ARG 91 Ca 0.00 0.24 -0.03 0.00 -1.72 0.00 0.00 55.73 54.22 1rkj s ARG 91 Cb 0.00 -3.46 0.05 0.00 -0.45 0.00 0.00 34.95 31.09 1rkj s ARG 91 CO 0.00 0.13 0.04 0.16 -0.68 0.00 0.00 175.30 174.95 1rkj s ASP 92 N 0.68 5.02 0.00 0.23 -4.77 -1.26 -4.86 116.67 111.70 1rkj s ASP 92 Ca 0.20 -1.27 0.00 0.00 -3.30 0.00 0.00 52.55 48.18 1rkj s ASP 92 Cb -0.14 -1.76 0.00 0.00 -1.09 0.00 0.00 42.92 39.93 1rkj s ASP 92 CO 0.07 -0.29 0.00 -1.54 0.70 0.00 0.00 175.17 174.11 1rkj n SER 93 N 4.67 0.56 -4.78 2.11 3.41 -1.26 -4.82 113.62 113.51 1rkj n SER 93 Ca -0.12 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.11 1rkj n SER 93 Cb 0.44 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.32 1rkj n SER 93 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1rkj s LYS 94 N -1.42 4.57 0.00 4.33 3.01 -1.26 -2.25 119.74 126.71 1rkj s LYS 94 Ca 0.00 1.38 0.00 0.00 -1.01 0.00 0.00 55.97 56.34 1rkj s LYS 94 Cb 0.00 -2.83 0.00 0.00 -1.01 0.00 0.00 37.83 33.99 1rkj s LYS 94 CO 0.00 0.26 0.00 1.17 0.51 0.00 0.00 175.35 177.29 1rkj n LYS 95 N 0.60 0.00 0.00 1.68 3.00 -1.26 -4.56 118.16 117.62 1rkj n LYS 95 Ca 0.02 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.39 1rkj n LYS 95 Cb 0.50 0.00 0.31 0.00 0.00 0.00 0.00 35.03 35.84 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 0.75 -3.63 3.15 0.24 -1.25 -4.85 118.33 112.74 1rkj n VAL 96 Ca 0.00 0.19 -0.24 0.00 -2.04 0.00 0.00 64.34 62.25 1rkj n VAL 96 Cb 0.00 -0.98 0.07 0.00 -1.47 0.00 0.00 33.84 31.47 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 -1.33 -7.63 0.00 7.34 1.74 -1.20 -1.43 116.66 114.15 1rkj n ARG 97 Ca 0.05 0.80 0.00 0.00 -0.77 0.00 0.00 57.85 57.94 1rkj n ARG 97 Cb 0.11 -5.84 0.00 0.00 -1.02 0.00 0.00 32.46 25.71 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 -4.93 0.00 0.00 7.54 0.00 -0.96 -0.74 120.51 121.42 1rkj n ALA 98 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rkj n ALA 98 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.12 0.00 -3.43 0.00 0.00 -0.51 -4.36 120.51 112.08 1rkj n ALA 99 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1rkj n ALA 99 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1rkj n ALA 99 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1rkj s ARG 100 N 0.00 0.58 0.13 0.00 0.52 -1.26 -2.48 118.95 116.44 1rkj s ARG 100 Ca 0.00 -1.27 -0.12 0.00 -0.52 0.00 0.00 55.73 53.82 1rkj s ARG 100 Cb 0.00 -1.17 0.01 0.00 0.52 0.00 0.00 34.95 34.31 1rkj s ARG 100 CO 0.00 -1.22 0.32 0.95 0.02 0.00 0.00 175.30 175.37 1rkj s THR 101 N 1.10 0.09 -0.19 0.02 -4.23 -0.74 -2.03 115.64 109.67 1rkj s THR 101 Ca 0.19 -0.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.75 1rkj s THR 101 Cb -0.20 -1.38 0.03 0.00 1.34 0.00 0.00 72.50 72.29 1rkj s THR 101 CO -0.01 -0.42 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.29 1rkj s LEU 102 N -2.86 2.20 -0.15 4.79 2.96 0.15 0.72 118.68 126.49 1rkj s LEU 102 Ca 0.07 -0.77 -0.10 0.00 -0.22 0.00 0.00 54.13 53.11 1rkj s LEU 102 Cb 0.03 -1.32 -0.05 0.00 0.50 0.00 0.00 46.19 45.35 1rkj s LEU 102 CO -0.09 -0.08 0.18 -0.22 -1.32 0.00 0.00 176.35 174.82 1rkj s LEU 103 N 1.36 4.30 -0.18 -0.68 2.96 0.15 -1.11 118.68 125.47 1rkj s LEU 103 Ca 0.01 0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 54.30 1rkj s LEU 103 Cb -0.15 -2.17 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 1rkj s LEU 103 CO -0.10 0.26 -0.04 0.00 -1.32 0.00 0.00 176.35 175.14 1rkj s ALA 104 N -0.21 2.89 0.50 5.97 0.00 0.14 0.23 121.76 131.28 1rkj s ALA 104 Ca 0.13 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 51.17 1rkj s ALA 104 Cb -0.12 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.41 1rkj s ALA 104 CO 0.02 -0.07 0.37 0.15 0.00 0.00 0.00 175.76 176.23 1rkj s LYS 105 N 0.86 2.31 -0.78 0.00 3.01 0.79 -0.81 119.74 125.12 1rkj s LYS 105 Ca -0.01 -1.89 -0.03 0.00 -1.01 0.00 0.00 55.97 53.03 1rkj s LYS 105 Cb -0.15 -2.15 -0.04 0.00 -1.01 0.00 0.00 37.83 34.49 1rkj s LYS 105 CO 0.01 -0.46 0.68 0.09 0.51 0.00 0.00 175.35 176.18 1rkj n ASN 106 N -1.65 -4.69 -4.90 2.83 4.13 -1.26 0.44 115.26 110.16 1rkj n ASN 106 Ca -0.00 -0.50 -0.32 0.00 1.68 0.00 0.00 54.58 55.44 1rkj n ASN 106 Cb 0.64 -3.89 -0.05 0.00 -1.54 0.00 0.00 39.78 34.94 1rkj n ASN 106 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1rkj s LEU 107 N -4.81 4.28 0.00 3.41 2.01 -0.56 -4.51 118.68 118.50 1rkj s LEU 107 Ca 0.27 0.56 0.05 0.00 0.01 0.00 0.00 54.13 55.02 1rkj s LEU 107 Cb -0.03 -3.26 0.21 0.00 0.01 0.00 0.00 46.19 43.11 1rkj s LEU 107 CO 0.53 0.07 1.15 -0.24 1.01 0.00 0.00 176.35 178.87 1rkj n SER 108 N 0.14 0.42 0.00 2.29 2.88 -1.26 -4.78 113.62 113.31 1rkj n SER 108 Ca -0.03 -1.92 0.00 0.00 -1.33 0.00 0.00 58.87 55.59 1rkj n SER 108 Cb 0.52 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 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 -0.30 0.00 0.29 0.66 3.72 -1.26 -4.19 117.46 116.38 1rkj n PHE 109 Ca 0.04 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.61 1rkj n PHE 109 Cb 0.08 0.00 0.84 0.00 -0.94 0.00 0.00 39.48 39.46 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 0.00 -3.99 4.37 2.35 -2.01 -3.44 115.58 112.87 1rkj h ASN 110 Ca 0.00 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 55.26 1rkj h ASN 110 Cb 0.00 0.00 0.19 0.00 0.05 0.00 0.00 38.32 38.56 1rkj h ASN 110 CO 0.00 0.00 0.18 -0.63 -1.65 0.00 0.00 177.43 175.33 1rkj s ILE 111 N -3.77 2.26 0.00 2.81 -1.09 -1.26 -5.05 121.20 115.10 1rkj s ILE 111 Ca -0.02 0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 1rkj s ILE 111 Cb 0.10 -2.22 0.00 0.00 -1.58 0.00 0.00 42.46 38.76 1rkj s ILE 111 CO 0.38 -0.11 0.00 0.35 -1.23 0.00 0.00 174.94 174.33 1rkj n THR 112 N -4.30 0.00 0.09 2.92 -2.24 -1.26 -4.99 114.28 104.49 1rkj n THR 112 Ca 0.09 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.80 1rkj n THR 112 Cb 0.53 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.82 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 0.17 -0.40 -0.78 5.08 -1.97 -2.45 114.58 114.22 1rkj h GLU 113 Ca 0.00 -0.15 0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1rkj h GLU 113 Cb 0.00 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.20 1rkj h GLU 113 CO 0.00 0.84 -0.55 -0.44 -1.00 0.00 0.00 179.01 177.86 1rkj h ASP 114 N 0.11 -1.84 -0.21 1.42 3.32 -1.98 0.37 116.42 117.61 1rkj h ASP 114 Ca -0.02 0.24 -0.16 0.00 0.02 0.00 0.00 57.03 57.11 1rkj h ASP 114 Cb 1.33 0.75 0.00 0.00 0.22 0.00 0.00 39.33 41.64 1rkj h ASP 114 CO 0.11 -0.41 -0.48 -0.33 -1.72 0.00 0.00 179.24 176.41 1rkj h GLU 115 N -0.40 0.70 0.00 3.56 4.39 -1.98 -0.76 114.58 120.09 1rkj h GLU 115 Ca 0.08 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1rkj h GLU 115 Cb 0.60 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1rkj h GLU 115 CO -0.59 1.09 0.00 -0.11 -1.16 0.00 0.00 179.01 178.24 1rkj n LEU 116 N -4.15 0.00 0.10 1.33 7.94 -0.79 -1.85 117.00 119.58 1rkj n LEU 116 Ca -0.06 0.86 0.10 0.00 -1.11 0.00 0.00 56.01 55.81 1rkj n LEU 116 Cb 0.58 -0.36 0.58 0.00 0.53 0.00 0.00 43.42 44.75 1rkj n LEU 116 CO 0.48 -0.36 1.13 0.07 -1.11 0.00 0.00 177.39 177.59 1rkj h LYS 117 N 0.00 0.18 -0.74 1.96 2.10 -0.42 -2.11 116.57 117.53 1rkj h LYS 117 Ca 0.00 -0.01 0.16 0.00 -2.00 0.00 0.00 60.65 58.80 1rkj h LYS 117 Cb 0.00 -0.04 -0.11 0.00 -0.90 0.00 0.00 32.23 31.18 1rkj h LYS 117 CO 0.00 0.12 0.15 1.49 -2.00 0.00 0.00 179.45 179.20 1rkj h GLU 118 N 0.18 0.23 0.13 0.07 4.81 -0.57 0.85 114.58 120.28 1rkj h GLU 118 Ca 0.12 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.16 1rkj h GLU 118 Cb 0.26 -0.05 0.02 0.00 0.63 0.00 0.00 28.75 29.61 1rkj h GLU 118 CO -0.02 0.15 -0.77 -0.24 -0.73 0.00 0.00 179.01 177.40 1rkj h VAL 119 N 0.23 1.52 -2.59 0.32 3.04 -0.71 -3.41 116.25 114.66 1rkj h VAL 119 Ca 0.42 -2.51 -0.60 0.00 -1.01 0.00 0.00 66.70 63.00 1rkj h VAL 119 Cb 0.73 3.18 -0.39 0.00 -2.01 0.00 0.00 31.29 32.80 1rkj h VAL 119 CO -0.54 0.71 -0.84 2.22 -1.01 0.00 0.00 177.57 178.11 1rkj n PHE 120 N -4.15 0.51 -0.32 3.17 1.16 -0.82 -4.75 117.46 112.26 1rkj n PHE 120 Ca -0.13 -3.65 0.00 0.00 -1.87 0.00 0.00 57.45 51.80 1rkj n PHE 120 Cb 0.80 -0.05 0.24 0.00 -1.61 0.00 0.00 39.48 38.86 1rkj n PHE 120 CO 0.00 0.00 0.00 -0.85 -1.87 0.00 0.00 176.76 174.04 1rkj n GLU 121 N 2.50 3.24 -0.68 3.97 0.00 0.29 -4.05 120.64 125.91 1rkj n GLU 121 Ca 0.27 -2.09 0.08 0.00 0.00 0.00 0.00 57.16 55.41 1rkj n GLU 121 Cb 0.44 -1.97 0.34 0.00 0.00 0.00 0.00 31.44 30.25 1rkj n GLU 121 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1rkj n ASP 122 N 0.20 4.89 -1.98 -1.84 9.92 -1.26 -4.97 116.55 121.51 1rkj n ASP 122 Ca 0.23 -2.80 0.00 0.00 -0.53 0.00 0.00 54.79 51.70 1rkj n ASP 122 Cb 0.97 -0.60 0.00 0.00 -0.64 0.00 0.00 41.12 40.85 1rkj n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rkj n ALA 123 N 0.44 0.00 -0.05 2.24 0.00 -1.26 -4.84 120.51 117.04 1rkj n ALA 123 Ca 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.63 1rkj n ALA 123 Cb 1.01 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.42 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 0.00 2.77 -3.81 0.00 4.77 0.13 -4.88 117.00 115.98 1rkj n LEU 124 Ca 0.00 -0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.79 1rkj n LEU 124 Cb 0.00 -0.28 -0.15 0.00 -2.33 0.00 0.00 43.42 40.65 1rkj n LEU 124 CO 0.00 0.62 -0.36 -0.70 -1.33 0.00 0.00 177.39 175.62 1rkj s GLU 125 N -2.18 0.02 -0.17 3.23 2.12 -0.91 -4.99 118.70 115.81 1rkj s GLU 125 Ca -0.12 0.11 -0.01 0.00 0.36 0.00 0.00 54.97 55.31 1rkj s GLU 125 Cb 0.03 -0.20 -0.00 0.00 0.26 0.00 0.00 34.13 34.22 1rkj s GLU 125 CO 0.22 -0.11 -0.13 0.42 -0.54 0.00 0.00 175.26 175.13 1rkj s ILE 126 N 0.70 2.83 -0.01 -3.70 1.01 -1.26 -0.93 121.20 119.84 1rkj s ILE 126 Ca -0.06 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.89 1rkj s ILE 126 Cb -0.09 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 40.18 1rkj s ILE 126 CO -0.02 0.49 0.02 -0.13 0.00 0.00 0.00 174.94 175.30 1rkj s ARG 127 N 1.01 -0.00 -0.15 2.79 0.52 -0.70 -5.04 118.95 117.37 1rkj s ARG 127 Ca -0.01 0.10 -0.10 0.00 -0.52 0.00 0.00 55.73 55.20 1rkj s ARG 127 Cb -0.15 -0.16 -0.05 0.00 0.52 0.00 0.00 34.95 35.12 1rkj s ARG 127 CO -0.02 -0.09 0.18 -0.51 0.02 0.00 0.00 175.30 174.87 1rkj s LEU 128 N 0.62 4.31 -0.34 2.53 2.01 -1.26 -1.12 118.68 125.42 1rkj s LEU 128 Ca -0.05 0.43 -0.01 0.00 0.01 0.00 0.00 54.13 54.51 1rkj s LEU 128 Cb -0.08 -2.16 0.12 0.00 0.01 0.00 0.00 46.19 44.08 1rkj s LEU 128 CO -0.02 0.28 0.17 -0.69 1.01 0.00 0.00 176.35 177.10 1rkj s VAL 129 N -0.32 0.54 0.00 -1.59 1.01 -0.49 -4.90 120.40 114.64 1rkj s VAL 129 Ca 0.13 -1.58 0.14 0.00 0.00 0.00 0.00 61.98 60.68 1rkj s VAL 129 Cb -0.12 -1.40 0.23 0.00 0.00 0.00 0.00 36.38 35.09 1rkj s VAL 129 CO 0.03 -0.83 1.07 -1.54 0.00 0.00 0.00 175.10 173.83 1rkj n SER 130 N 4.44 0.49 0.00 3.32 3.41 -1.22 -1.46 113.62 122.59 1rkj n SER 130 Ca 0.03 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 1rkj n SER 130 Cb 0.39 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1rkj n SER 130 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1rkj n GLN 131 N 0.27 0.00 0.00 4.33 7.27 -1.24 -2.53 117.38 125.48 1rkj n GLN 131 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.09 1rkj n GLN 131 Cb 0.94 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.59 1rkj n GLN 131 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1rkj n ASP 132 N 0.00 0.00 0.01 1.69 9.92 -1.26 -1.48 116.55 125.43 1rkj n ASP 132 Ca 0.00 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 54.04 1rkj n ASP 132 Cb 0.00 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.34 1rkj n ASP 132 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1rkj h GLY 133 N 0.00 0.32 0.00 0.44 0.00 -2.03 -3.48 103.07 98.33 1rkj h GLY 133 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1rkj h GLY 133 CO 0.00 0.72 0.00 1.17 0.00 0.00 0.00 176.54 178.43 1rkj n LYS 134 N -3.53 0.00 -0.90 4.80 0.00 -0.55 -5.17 118.16 112.81 1rkj n LYS 134 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.00 1rkj n LYS 134 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 35.03 36.07 1rkj n LYS 134 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1rkj n SER 135 N -2.85 0.00 0.00 3.14 7.64 -1.11 -4.67 113.62 115.77 1rkj n SER 135 Ca 0.00 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 59.03 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 0.29 -3.01 0.00 0.00 175.04 172.32 1rkj n LYS 136 N 0.00 0.00 -3.69 1.43 5.02 -1.05 -3.73 118.16 116.14 1rkj n LYS 136 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 1rkj n LYS 136 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.06 1rkj n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rkj n GLY 137 N 0.00 -0.52 3.50 0.72 0.00 -1.20 -4.88 105.19 102.81 1rkj n GLY 137 Ca 0.00 0.22 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 1rkj n GLY 137 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rkj s ILE 138 N -3.29 0.82 -0.10 -0.61 1.01 -0.54 -1.50 121.20 116.99 1rkj s ILE 138 Ca 0.60 -2.00 -0.07 0.00 0.00 0.00 0.00 60.65 59.18 1rkj s ILE 138 Cb -0.28 -2.49 0.03 0.00 0.01 0.00 0.00 42.46 39.73 1rkj s ILE 138 CO 0.74 0.00 0.25 0.00 0.00 0.00 0.00 174.94 175.93 1rkj s ALA 139 N -3.24 -0.60 -0.05 9.38 0.00 0.01 -1.40 121.76 125.86 1rkj s ALA 139 Ca 0.27 0.85 0.05 0.00 0.00 0.00 0.00 51.96 53.14 1rkj s ALA 139 Cb 0.05 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1rkj s ALA 139 CO 0.14 -0.16 -0.21 -0.47 0.00 0.00 0.00 175.76 175.07 1rkj s TYR 140 N 0.67 2.53 0.04 0.00 5.04 -0.27 0.26 117.35 125.61 1rkj s TYR 140 Ca -0.04 -0.49 0.03 0.00 -2.44 0.00 0.00 57.07 54.13 1rkj s TYR 140 Cb -0.06 -1.61 -0.02 0.00 0.35 0.00 0.00 41.96 40.62 1rkj s TYR 140 CO -0.04 -0.06 -0.09 0.42 -1.34 0.00 0.00 175.55 174.44 1rkj s ILE 141 N -0.37 0.67 0.06 3.14 1.09 -0.27 -1.73 121.20 123.79 1rkj s ILE 141 Ca 0.03 -0.96 0.06 0.00 -1.10 0.00 0.00 60.65 58.68 1rkj s ILE 141 Cb -0.12 -0.68 -0.04 0.00 -1.06 0.00 0.00 42.46 40.56 1rkj s ILE 141 CO 0.02 -0.23 -0.10 -0.70 -0.10 0.00 0.00 174.94 173.82 1rkj s GLU 142 N -1.31 2.25 0.31 2.79 2.12 -0.10 0.30 118.70 125.05 1rkj s GLU 142 Ca -0.06 -0.93 0.07 0.00 0.36 0.00 0.00 54.97 54.41 1rkj s GLU 142 Cb -0.08 -2.34 -0.06 0.00 0.26 0.00 0.00 34.13 31.90 1rkj s GLU 142 CO 0.01 0.54 -0.04 -0.06 -0.54 0.00 0.00 175.26 175.17 1rkj s PHE 143 N -1.10 2.08 0.05 5.30 0.40 -0.86 0.21 117.98 124.07 1rkj s PHE 143 Ca 0.19 -0.70 0.32 0.00 -0.60 0.00 0.00 56.93 56.14 1rkj s PHE 143 Cb -0.11 -1.25 1.47 0.00 0.51 0.00 0.00 43.02 43.64 1rkj s PHE 143 CO 0.10 0.30 1.97 1.57 0.70 0.00 0.00 175.22 179.87 1rkj h LYS 144 N 2.16 0.00 -1.79 0.44 2.10 -1.89 -3.42 116.57 114.18 1rkj h LYS 144 Ca -0.41 0.00 0.24 0.00 -2.00 0.00 0.00 60.65 58.48 1rkj h LYS 144 Cb 1.24 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.43 1rkj h LYS 144 CO 0.69 0.00 0.69 -1.12 -2.00 0.00 0.00 179.45 177.72 1rkj s SER 145 N -5.11 -0.16 0.11 7.07 0.01 -1.26 -5.00 113.70 109.36 1rkj s SER 145 Ca 0.00 -0.12 -0.23 0.00 1.31 0.00 0.00 55.95 56.91 1rkj s SER 145 Cb 0.10 0.26 -0.07 0.00 0.21 0.00 0.00 66.02 66.52 1rkj s SER 145 CO 0.45 -0.46 1.69 -0.08 0.41 0.00 0.00 173.24 175.26 1rkj h GLU 146 N 2.00 -0.15 -0.12 12.44 4.81 -1.84 -2.77 114.58 128.94 1rkj h GLU 146 Ca -0.21 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1rkj h GLU 146 Cb 1.20 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 1rkj h GLU 146 CO 0.27 -0.10 -0.09 0.00 -0.73 0.00 0.00 179.01 178.35 1rkj h ALA 147 N 0.85 -0.19 -1.03 2.92 0.00 -1.99 0.32 119.26 120.14 1rkj h ALA 147 Ca 0.05 0.01 0.34 0.00 0.00 0.00 0.00 54.91 55.31 1rkj h ALA 147 Cb 0.23 0.95 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 1rkj h ALA 147 CO -0.13 -0.25 0.60 0.22 0.00 0.00 0.00 179.25 179.68 1rkj h ASP 148 N -0.02 0.48 -0.63 0.00 1.82 -1.96 0.68 116.42 116.79 1rkj h ASP 148 Ca 0.02 0.19 -0.04 0.00 -0.39 0.00 0.00 57.03 56.81 1rkj h ASP 148 Cb 0.08 0.14 -0.03 0.00 0.68 0.00 0.00 39.33 40.20 1rkj h ASP 148 CO -0.13 -0.15 0.23 0.00 -1.61 0.00 0.00 179.24 177.58 1rkj h ALA 149 N 1.83 0.82 -0.07 -0.78 0.00 -0.20 -2.44 119.26 118.41 1rkj h ALA 149 Ca 0.74 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.46 1rkj h ALA 149 Cb 1.78 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1rkj h ALA 149 CO -0.59 0.45 -0.00 0.93 0.00 0.00 0.00 179.25 180.04 1rkj h GLU 150 N 0.88 0.13 -0.02 0.00 5.08 0.27 -0.30 114.58 120.62 1rkj h GLU 150 Ca 0.21 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 1rkj h GLU 150 Cb 0.24 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 1rkj h GLU 150 CO -0.01 0.40 -0.50 -0.22 -1.00 0.00 0.00 179.01 177.68 1rkj h LYS 151 N -0.16 -0.60 -0.84 2.33 3.64 -1.02 0.34 116.57 120.26 1rkj h LYS 151 Ca 0.02 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1rkj h LYS 151 Cb 0.35 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 1rkj h LYS 151 CO 0.00 -0.40 0.52 -0.91 -2.27 0.00 0.00 179.45 176.39 1rkj h ASN 152 N -0.63 1.00 -0.79 4.20 2.35 -1.48 0.30 115.58 120.54 1rkj h ASN 152 Ca 0.03 -0.06 0.12 0.00 -0.55 0.00 0.00 56.30 55.84 1rkj h ASN 152 Cb 0.70 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.76 1rkj h ASN 152 CO -0.36 0.77 0.52 0.25 -1.65 0.00 0.00 177.43 176.95 1rkj h LEU 153 N 1.15 0.59 0.00 1.61 6.46 -0.18 0.42 115.31 125.36 1rkj h LEU 153 Ca 0.30 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.09 1rkj h LEU 153 Cb -0.06 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 39.77 1rkj h LEU 153 CO -0.06 0.33 -0.32 -0.08 -0.62 0.00 0.00 178.44 177.69 1rkj h GLU 154 N 0.64 0.00 -1.00 1.25 4.81 -0.23 -2.26 114.58 117.79 1rkj h GLU 154 Ca 0.38 0.00 0.21 0.00 -0.13 0.00 0.00 59.36 59.82 1rkj h GLU 154 Cb 0.59 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.86 1rkj h GLU 154 CO -0.15 0.00 0.61 0.93 -0.73 0.00 0.00 179.01 179.67 1rkj h GLU 155 N -0.88 0.67 0.00 1.92 5.08 -0.42 0.29 114.58 121.25 1rkj h GLU 155 Ca 0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1rkj h GLU 155 Cb 0.32 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1rkj h GLU 155 CO 0.00 0.45 -0.58 0.87 -1.00 0.00 0.00 179.01 178.74 1rkj h LYS 156 N 0.69 0.00 -5.59 2.33 1.79 -0.33 -3.47 116.57 111.99 1rkj h LYS 156 Ca 0.59 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 58.51 1rkj h LYS 156 Cb 1.02 0.00 0.17 0.00 -1.58 0.00 0.00 32.23 31.84 1rkj h LYS 156 CO -0.40 0.09 -1.08 0.94 -1.08 0.00 0.00 179.45 177.92 1rkj n GLN 157 N -2.93 0.00 -3.16 3.15 -0.06 0.10 -3.46 117.38 111.02 1rkj n GLN 157 Ca 0.01 0.00 -0.05 0.00 -2.00 0.00 0.00 57.00 54.96 1rkj n GLN 157 Cb 0.59 -0.93 0.00 0.00 -4.06 0.00 0.00 30.24 25.84 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 2.35 -1.24 2.54 1.69 0.00 -1.26 -4.97 105.19 104.30 1rkj n GLY 158 Ca 0.07 0.56 -0.19 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.77 3.61 -1.04 4.61 0.00 -1.22 -5.01 120.51 119.68 1rkj n ALA 159 Ca -0.04 -3.77 -0.17 0.00 0.00 0.00 0.00 53.44 49.46 1rkj n ALA 159 Cb 0.53 -0.81 -0.15 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.09 0.00 0.18 0.00 0.28 -1.26 -4.26 120.64 115.49 1rkj n GLU 160 Ca 0.24 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.28 1rkj n GLU 160 Cb 0.66 -0.73 0.30 0.00 1.43 0.00 0.00 31.44 33.10 1rkj n GLU 160 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1rkj h ILE 161 N 4.93 1.04 0.00 3.84 2.04 -1.93 -3.29 117.51 124.15 1rkj h ILE 161 Ca 0.02 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.24 1rkj h ILE 161 Cb 0.80 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1rkj h ILE 161 CO 1.12 0.42 -0.26 -0.90 0.00 0.00 0.00 178.15 178.53 1rkj n ASP 162 N -3.64 0.39 -0.48 1.72 5.75 -1.26 -5.00 116.55 114.03 1rkj n ASP 162 Ca -0.01 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 1rkj n ASP 162 Cb 0.52 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 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 -0.19 0.66 0.71 6.12 0.00 -1.24 -4.99 105.19 106.26 1rkj n GLY 163 Ca 0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.48 0.00 -3.25 1.61 0.63 -1.26 -5.06 116.66 108.85 1rkj n ARG 164 Ca 0.00 -0.42 -0.30 0.00 -0.92 0.00 0.00 57.85 56.21 1rkj n ARG 164 Cb 0.30 0.21 0.02 0.00 0.45 0.00 0.00 32.46 33.44 1rkj n ARG 164 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1rkj n SER 165 N 0.00 -4.42 -3.20 6.15 2.88 -1.26 -4.76 113.62 109.01 1rkj n SER 165 Ca -0.12 -0.33 -0.29 0.00 -1.33 0.00 0.00 58.87 56.80 1rkj n SER 165 Cb 0.59 -1.33 0.03 0.00 -0.75 0.00 0.00 64.21 62.74 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 -0.75 0.00 -3.87 2.46 3.14 -1.26 -4.77 118.33 113.27 1rkj n VAL 166 Ca -0.13 -0.39 -0.25 0.00 -2.96 0.00 0.00 64.34 60.60 1rkj n VAL 166 Cb 0.58 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.33 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 -0.80 6.34 -0.29 6.55 0.01 0.17 -4.60 113.70 121.08 1rkj s SER 167 Ca 0.32 0.22 -0.15 0.00 1.31 0.00 0.00 55.95 57.64 1rkj s SER 167 Cb -0.14 -1.93 0.10 0.00 0.21 0.00 0.00 66.02 64.26 1rkj s SER 167 CO 0.66 -0.00 0.74 -1.48 0.41 0.00 0.00 173.24 173.57 1rkj s LEU 168 N -3.42 -0.89 0.06 2.44 0.05 -1.26 -0.15 118.68 115.51 1rkj s LEU 168 Ca 0.35 1.39 0.01 0.00 0.05 0.00 0.00 54.13 55.93 1rkj s LEU 168 Cb -0.11 2.25 -0.03 0.00 -2.05 0.00 0.00 46.19 46.25 1rkj s LEU 168 CO 0.29 -0.21 -0.05 -0.31 -0.55 0.00 0.00 176.35 175.51 1rkj s TYR 169 N 1.81 0.62 -0.47 3.48 1.51 0.14 -4.98 117.35 119.46 1rkj s TYR 169 Ca -0.09 -0.76 -0.16 0.00 -1.01 0.00 0.00 57.07 55.05 1rkj s TYR 169 Cb -0.06 -0.39 0.06 0.00 -0.11 0.00 0.00 41.96 41.46 1rkj s TYR 169 CO -0.19 -0.19 0.43 1.52 -1.11 0.00 0.00 175.55 176.01 1rkj s TYR 170 N -2.62 3.21 0.65 2.71 1.13 -1.26 0.33 117.35 121.49 1rkj s TYR 170 Ca -0.01 -0.79 0.03 0.00 -1.41 0.00 0.00 57.07 54.90 1rkj s TYR 170 Cb -0.01 -3.15 0.10 0.00 -1.10 0.00 0.00 41.96 37.80 1rkj s TYR 170 CO -0.04 -0.81 0.90 -0.08 -2.51 0.00 0.00 175.55 173.01 1rkj s THR 171 N 1.84 2.20 0.01 -3.49 -1.32 0.22 -4.94 115.64 110.17 1rkj s THR 171 Ca 0.06 -0.76 0.00 0.00 -1.21 0.00 0.00 61.69 59.79 1rkj s THR 171 Cb -0.22 -2.45 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 1rkj s THR 171 CO 0.08 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.10 1rkj n GLY 172 N -2.56 -3.61 3.39 6.08 0.00 0.08 -1.78 105.19 106.78 1rkj n GLY 172 Ca 0.15 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 1rkj n GLY 172 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1rkj s GLU 173 N -2.79 1.14 0.00 1.61 -1.05 -1.04 -4.11 118.70 112.47 1rkj s GLU 173 Ca 0.00 -0.43 0.00 0.00 -0.15 0.00 0.00 54.97 54.39 1rkj s GLU 173 Cb 0.00 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.21 1rkj s GLU 173 CO 0.00 -0.46 0.00 0.36 0.95 0.00 0.00 175.26 176.11 1rkj n LYS 174 N -0.05 0.00 0.00 -4.83 2.85 -1.26 -4.71 118.16 110.16 1rkj n LYS 174 Ca -0.17 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 1rkj n LYS 174 Cb 0.63 -0.54 0.00 0.00 -0.65 0.00 0.00 35.03 34.47 1rkj n LYS 174 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76