#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 2.13 0.00 1.61 2.88 -1.26 -3.60 113.62 115.38 1rkj n SER 2 Ca 0.00 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 1rkj n SER 2 Cb 0.00 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.07 1rkj n SER 2 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1rkj n HIS 3 N 0.48 0.00 0.00 0.66 -0.00 -1.26 -4.74 115.22 110.36 1rkj n HIS 3 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.80 1rkj n HIS 3 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.33 1rkj n HIS 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1rkj n MET 4 N 0.00 -0.88 0.00 1.57 -0.00 -1.24 -5.11 117.12 111.47 1rkj n MET 4 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 1rkj n MET 4 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 33.22 33.22 1rkj n MET 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1rkj n VAL 5 N -0.01 0.00 -4.17 3.17 0.31 -1.26 -5.02 118.33 111.36 1rkj n VAL 5 Ca 0.00 0.36 -0.36 0.00 -0.01 0.00 0.00 64.34 64.34 1rkj n VAL 5 Cb 0.00 -1.35 -0.08 0.00 -0.91 0.00 0.00 33.84 31.50 1rkj n VAL 5 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1rkj s GLU 6 N -0.84 3.27 0.26 5.55 -1.05 -1.26 -5.10 118.70 119.53 1rkj s GLU 6 Ca 0.00 -0.31 -0.06 0.00 -0.15 0.00 0.00 54.97 54.45 1rkj s GLU 6 Cb 0.00 -2.98 -0.01 0.00 -0.44 0.00 0.00 34.13 30.70 1rkj s GLU 6 CO 0.00 0.66 0.36 0.20 0.95 0.00 0.00 175.26 177.44 1rkj s GLY 7 N -0.74 1.12 0.39 -3.83 0.00 -1.26 -5.09 107.32 97.91 1rkj s GLY 7 Ca 0.12 -1.33 -0.19 0.00 0.00 0.00 0.00 44.72 43.32 1rkj s GLY 7 CO 0.03 -0.99 0.88 -0.56 0.00 0.00 0.00 173.10 172.46 1rkj s SER 8 N -3.13 6.89 -0.38 1.64 0.01 -1.26 -5.05 113.70 112.42 1rkj s SER 8 Ca 0.30 1.56 0.03 0.00 1.31 0.00 0.00 55.95 59.15 1rkj s SER 8 Cb 0.02 -2.49 0.16 0.00 0.21 0.00 0.00 66.02 63.92 1rkj s SER 8 CO 0.13 -0.31 0.37 -1.61 0.41 0.00 0.00 173.24 172.23 1rkj s GLU 9 N -3.11 0.67 0.00 12.44 0.41 -1.26 -5.12 118.70 122.73 1rkj s GLU 9 Ca 0.59 -1.03 0.00 0.00 -0.41 0.00 0.00 54.97 54.12 1rkj s GLU 9 Cb -0.09 -0.82 0.00 0.00 -1.78 0.00 0.00 34.13 31.43 1rkj s GLU 9 CO 0.14 -1.22 0.00 0.43 -0.49 0.00 0.00 175.26 174.12 1rkj n SER 10 N 4.05 0.06 -0.11 -0.19 7.64 -1.26 -5.06 113.62 118.75 1rkj n SER 10 Ca 0.13 -0.45 -0.12 0.00 1.01 0.00 0.00 58.87 59.44 1rkj n SER 10 Cb 0.45 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 1rkj n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rkj h THR 11 N 0.45 1.29 -2.73 0.44 1.03 -1.99 -3.46 112.91 107.94 1rkj h THR 11 Ca 0.00 -1.25 -0.11 0.00 -0.01 0.00 0.00 66.41 65.04 1rkj h THR 11 Cb 0.00 1.39 -0.22 0.00 -1.07 0.00 0.00 68.15 68.25 1rkj h THR 11 CO 0.00 0.41 -0.18 0.28 -0.01 0.00 0.00 175.52 176.01 1rkj s THR 12 N -4.65 0.02 0.21 0.00 -1.32 -1.26 -5.06 115.64 103.58 1rkj s THR 12 Ca -0.13 -0.17 -0.07 0.00 -1.21 0.00 0.00 61.69 60.11 1rkj s THR 12 Cb 0.09 -0.66 0.09 0.00 -1.51 0.00 0.00 72.50 70.52 1rkj s THR 12 CO 0.81 -0.10 1.69 -0.65 -2.21 0.00 0.00 174.62 174.17 1rkj h PRO 13 N 4.57 1.02 -3.49 7.08 0.11 -1.89 -3.44 132.00 135.97 1rkj h PRO 13 Ca -0.28 -0.29 -0.32 0.00 0.11 0.00 0.00 66.00 65.22 1rkj h PRO 13 Cb 1.17 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.10 1rkj h PRO 13 CO 0.31 0.97 1.30 1.19 -0.21 0.00 0.00 178.00 181.56 1rkj n PHE 14 N -4.20 0.26 -4.63 0.65 3.01 -1.26 -4.84 117.46 106.44 1rkj n PHE 14 Ca 0.03 0.17 -0.29 0.00 1.01 0.00 0.00 57.45 58.38 1rkj n PHE 14 Cb 0.31 -1.21 -0.10 0.00 -0.01 0.00 0.00 39.48 38.47 1rkj n PHE 14 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1rkj s ASN 15 N 4.14 3.95 -0.29 4.37 3.84 -1.26 0.58 114.94 130.27 1rkj s ASN 15 Ca 0.94 -1.42 -0.16 0.00 0.21 0.00 0.00 52.86 52.43 1rkj s ASN 15 Cb -0.78 -0.21 0.14 0.00 -0.55 0.00 0.00 41.25 39.85 1rkj s ASN 15 CO 0.36 -0.54 0.96 -0.22 -2.79 0.00 0.00 177.10 174.87 1rkj s LEU 16 N -3.75 -0.55 0.03 3.21 2.96 0.14 -4.69 118.68 116.03 1rkj s LEU 16 Ca 0.29 0.86 -0.03 0.00 -0.22 0.00 0.00 54.13 55.03 1rkj s LEU 16 Cb 0.08 1.78 -0.04 0.00 0.50 0.00 0.00 46.19 48.50 1rkj s LEU 16 CO 0.15 -0.13 0.24 0.12 -1.32 0.00 0.00 176.35 175.40 1rkj s PHE 17 N 1.50 3.54 -0.27 5.38 2.19 -0.53 -1.17 117.98 128.62 1rkj s PHE 17 Ca -0.08 0.41 0.02 0.00 0.33 0.00 0.00 56.93 57.61 1rkj s PHE 17 Cb -0.04 -1.88 0.06 0.00 -1.31 0.00 0.00 43.02 39.85 1rkj s PHE 17 CO -0.15 0.60 -0.09 0.42 1.83 0.00 0.00 175.22 177.82 1rkj s ILE 18 N -1.41 2.35 0.34 3.12 1.09 0.79 -2.14 121.20 125.35 1rkj s ILE 18 Ca 0.31 -1.56 0.08 0.00 -1.10 0.00 0.00 60.65 58.39 1rkj s ILE 18 Cb -0.13 -2.36 -0.04 0.00 -1.06 0.00 0.00 42.46 38.86 1rkj s ILE 18 CO 0.21 -0.03 0.13 -0.83 -0.10 0.00 0.00 174.94 174.32 1rkj s GLY 19 N 1.14 1.96 -0.79 6.18 0.00 -0.92 -2.23 107.32 112.66 1rkj s GLY 19 Ca -0.08 -1.84 -0.01 0.00 0.00 0.00 0.00 44.72 42.79 1rkj s GLY 19 CO -0.04 -1.77 0.67 -2.01 0.00 0.00 0.00 173.10 169.94 1rkj n ASN 20 N -1.13 -2.89 0.18 1.64 5.15 -1.26 -1.64 115.26 115.31 1rkj n ASN 20 Ca -0.03 -0.44 0.12 0.00 -0.60 0.00 0.00 54.58 53.63 1rkj n ASN 20 Cb 0.61 -3.67 0.16 0.00 -0.53 0.00 0.00 39.78 36.35 1rkj n ASN 20 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1rkj h LEU 21 N -1.14 0.00 -2.87 1.20 3.38 -1.88 -3.41 115.31 110.60 1rkj h LEU 21 Ca -0.41 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1rkj h LEU 21 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1rkj h LEU 21 CO 0.33 0.00 -0.14 -3.20 0.09 0.00 0.00 178.44 175.52 1rkj n ASN 22 N -2.88 -2.93 -2.98 -0.43 5.15 -1.26 -4.82 115.26 105.11 1rkj n ASN 22 Ca 0.03 0.20 -0.16 0.00 -0.60 0.00 0.00 54.58 54.05 1rkj n ASN 22 Cb 0.52 -1.67 -0.03 0.00 -0.53 0.00 0.00 39.78 38.07 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 0.01 1.57 -0.03 1.20 -0.04 -1.26 -4.24 135.00 132.22 1rkj n PRO 23 Ca 0.00 -1.13 -0.03 0.00 -0.04 0.00 0.00 63.50 62.30 1rkj n PRO 23 Cb 0.01 -2.25 -0.01 0.00 -0.04 0.00 0.00 33.50 31.21 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 4.04 0.71 0.06 3.54 2.85 -1.26 -4.85 115.26 120.36 1rkj n ASN 24 Ca 0.34 0.12 -0.03 0.00 -0.11 0.00 0.00 54.58 54.90 1rkj n ASN 24 Cb 0.17 -0.54 -0.01 0.00 1.24 0.00 0.00 39.78 40.63 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 -0.34 -0.17 0.00 1.20 1.57 -1.96 -3.48 116.57 113.40 1rkj h LYS 25 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1rkj h LYS 25 Cb 0.34 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1rkj h LYS 25 CO 0.00 -0.11 0.00 0.43 -0.57 0.00 0.00 179.45 179.20 1rkj n SER 26 N -2.64 0.00 -0.21 0.86 7.64 -1.26 -5.04 113.62 112.96 1rkj n SER 26 Ca -0.02 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.80 1rkj n SER 26 Cb 0.07 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.22 1rkj n SER 26 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1rkj n VAL 27 N 0.00 -0.35 -0.28 0.44 0.31 -1.26 0.83 118.33 118.02 1rkj n VAL 27 Ca 0.00 1.68 0.13 0.00 -0.01 0.00 0.00 64.34 66.14 1rkj n VAL 27 Cb 0.00 -2.12 0.25 0.00 -0.91 0.00 0.00 33.84 31.06 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 -3.18 0.43 -0.07 3.52 0.00 -1.26 0.15 120.51 120.10 1rkj n ALA 28 Ca 0.01 0.88 -0.13 0.00 0.00 0.00 0.00 53.44 54.20 1rkj n ALA 28 Cb 0.13 -0.65 -0.06 0.00 0.00 0.00 0.00 19.45 18.88 1rkj n ALA 28 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1rkj h GLU 29 N 0.00 0.46 -0.33 0.00 4.81 0.02 -2.41 114.58 117.13 1rkj h GLU 29 Ca 0.50 -0.23 0.07 0.00 -0.13 0.00 0.00 59.36 59.57 1rkj h GLU 29 Cb 1.04 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.36 1rkj h GLU 29 CO -0.77 0.79 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.11 1rkj h LEU 30 N 0.13 -0.42 -0.45 1.64 3.38 0.30 0.46 115.31 120.35 1rkj h LEU 30 Ca 0.04 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1rkj h LEU 30 Cb 0.69 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1rkj h LEU 30 CO 0.04 -0.15 0.25 0.07 0.09 0.00 0.00 178.44 178.74 1rkj h LYS 31 N -0.06 0.49 0.10 1.13 2.10 -0.89 -2.50 116.57 116.93 1rkj h LYS 31 Ca 0.16 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.78 1rkj h LYS 31 Cb 0.31 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 1rkj h LYS 31 CO -0.37 0.32 -0.05 0.28 -2.00 0.00 0.00 179.45 177.64 1rkj h VAL 32 N 0.50 0.92 -0.85 0.07 2.07 -0.76 -1.16 116.25 117.03 1rkj h VAL 32 Ca 0.18 -0.03 0.14 0.00 0.82 0.00 0.00 66.70 67.81 1rkj h VAL 32 Cb 0.04 0.94 -0.15 0.00 -1.52 0.00 0.00 31.29 30.60 1rkj h VAL 32 CO -0.10 0.01 -0.34 0.00 0.02 0.00 0.00 177.57 177.16 1rkj h ALA 33 N 0.76 0.19 -0.39 1.67 0.00 0.21 2.28 119.26 123.98 1rkj h ALA 33 Ca -0.01 0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1rkj h ALA 33 Cb 0.11 0.87 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1rkj h ALA 33 CO 0.02 -0.59 0.26 0.82 0.00 0.00 0.00 179.25 179.76 1rkj h ILE 34 N -0.05 1.10 0.00 0.00 5.03 -1.12 -2.10 117.51 120.38 1rkj h ILE 34 Ca 0.33 -0.18 0.00 0.00 -0.12 0.00 0.00 64.86 64.89 1rkj h ILE 34 Cb 0.59 0.53 0.00 0.00 -3.03 0.00 0.00 36.82 34.91 1rkj h ILE 34 CO -0.88 0.10 0.00 -0.24 -0.68 0.00 0.00 178.15 176.45 1rkj n SER 35 N -4.48 0.00 -0.37 1.72 2.88 0.74 -1.45 113.62 112.65 1rkj n SER 35 Ca 0.03 0.55 0.32 0.00 -1.33 0.00 0.00 58.87 58.44 1rkj n SER 35 Cb 0.06 -0.13 0.53 0.00 -0.75 0.00 0.00 64.21 63.93 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 -0.88 -0.03 0.20 -1.46 -0.58 0.47 0.22 120.64 118.58 1rkj n GLU 36 Ca 0.00 0.97 -0.15 0.00 -0.42 0.00 0.00 57.16 57.57 1rkj n GLU 36 Cb 0.00 -1.93 -0.08 0.00 -0.57 0.00 0.00 31.44 28.86 1rkj n GLU 36 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1rkj h LEU 37 N 0.00 -0.40 -2.22 -4.62 7.12 -1.25 -0.16 115.31 113.79 1rkj h LEU 37 Ca 0.69 -0.07 0.04 0.00 0.13 0.00 0.00 57.88 58.66 1rkj h LEU 37 Cb 2.24 0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 42.47 1rkj h LEU 37 CO -0.35 -0.17 0.26 -0.26 -0.13 0.00 0.00 178.44 177.79 1rkj h PHE 38 N -0.62 0.00 0.03 1.25 0.04 0.38 0.41 116.94 118.43 1rkj h PHE 38 Ca -0.05 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.67 1rkj h PHE 38 Cb 0.45 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.60 1rkj h PHE 38 CO -0.02 0.00 -0.25 0.00 -0.60 0.00 0.00 178.31 177.45 1rkj h ALA 39 N 1.61 -0.00 -0.05 2.45 0.00 -0.63 -3.30 119.26 119.34 1rkj h ALA 39 Ca 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1rkj h ALA 39 Cb 0.58 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.43 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 -4.49 1.22 -0.46 0.00 5.02 -0.14 -3.36 118.16 115.95 1rkj n LYS 40 Ca -0.12 -0.33 0.06 0.00 -2.02 0.00 0.00 58.31 55.90 1rkj n LYS 40 Cb 0.57 -1.30 0.25 0.00 -0.02 0.00 0.00 35.03 34.53 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 -0.43 3.54 -2.77 4.39 4.05 0.13 -4.93 115.26 119.24 1rkj n ASN 41 Ca 0.14 -2.36 -0.01 0.00 0.45 0.00 0.00 54.58 52.79 1rkj n ASN 41 Cb 0.14 -0.50 0.00 0.00 1.23 0.00 0.00 39.78 40.65 1rkj n ASN 41 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1rkj n ASP 42 N 0.64 -6.60 -2.66 1.20 8.00 -1.21 -4.90 116.55 111.01 1rkj n ASP 42 Ca 0.18 -0.09 0.03 0.00 0.71 0.00 0.00 54.79 55.61 1rkj n ASP 42 Cb 0.69 -4.46 0.01 0.00 -0.02 0.00 0.00 41.12 37.34 1rkj n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rkj n LEU 43 N -1.71 0.00 -3.56 0.64 -0.00 -1.25 -5.00 117.00 106.11 1rkj n LEU 43 Ca -0.00 -0.02 -0.28 0.00 -0.00 0.00 0.00 56.01 55.70 1rkj n LEU 43 Cb 0.51 0.84 -0.11 0.00 -0.00 0.00 0.00 43.42 44.66 1rkj n LEU 43 CO 0.43 -0.01 -0.25 0.00 -0.00 0.00 0.00 177.39 177.56 1rkj s ALA 44 N -1.55 1.96 -0.50 1.47 0.00 -1.26 -4.60 121.76 117.28 1rkj s ALA 44 Ca 0.18 -2.69 -0.34 0.00 0.00 0.00 0.00 51.96 49.10 1rkj s ALA 44 Cb -0.00 -1.76 -0.16 0.00 0.00 0.00 0.00 23.12 21.20 1rkj s ALA 44 CO -0.02 -2.03 1.87 1.55 0.00 0.00 0.00 175.76 177.13 1rkj n VAL 45 N 2.92 0.00 0.10 0.00 3.14 -1.26 -4.56 118.33 118.66 1rkj n VAL 45 Ca 0.22 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.54 1rkj n VAL 45 Cb 0.42 -0.41 -0.04 0.00 -1.06 0.00 0.00 33.84 32.75 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 5.97 0.00 -3.60 1.55 2.07 -1.24 -3.44 116.25 117.56 1rkj h VAL 46 Ca -0.07 0.00 -0.67 0.00 0.82 0.00 0.00 66.70 66.78 1rkj h VAL 46 Cb 1.16 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.76 1rkj h VAL 46 CO 0.95 0.00 -0.75 -0.62 0.02 0.00 0.00 177.57 177.18 1rkj s ASP 47 N -3.10 4.33 -0.35 0.57 -1.08 -0.91 -4.83 116.67 111.31 1rkj s ASP 47 Ca -0.07 -0.39 0.05 0.00 -0.52 0.00 0.00 52.55 51.62 1rkj s ASP 47 Cb 0.02 -0.81 0.18 0.00 -1.46 0.00 0.00 42.92 40.84 1rkj s ASP 47 CO 0.23 0.19 0.53 0.68 0.52 0.00 0.00 175.17 177.31 1rkj s VAL 48 N -1.18 -0.81 0.15 1.11 -7.23 -1.26 -1.83 120.40 109.34 1rkj s VAL 48 Ca 0.21 -0.23 0.02 0.00 -1.81 0.00 0.00 61.98 60.16 1rkj s VAL 48 Cb -0.11 -0.59 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 1rkj s VAL 48 CO 0.13 -0.16 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.62 1rkj s ARG 49 N 2.19 1.03 0.39 4.82 0.52 -0.88 -5.03 118.95 121.99 1rkj s ARG 49 Ca 0.13 -1.48 0.08 0.00 -0.52 0.00 0.00 55.73 53.94 1rkj s ARG 49 Cb -0.09 -0.21 -0.04 0.00 0.52 0.00 0.00 34.95 35.14 1rkj s ARG 49 CO -0.16 -0.12 0.26 0.99 0.02 0.00 0.00 175.30 176.28 1rkj s THR 50 N -3.69 2.71 -0.09 0.02 2.01 -1.26 -0.95 115.64 114.39 1rkj s THR 50 Ca 0.21 -1.53 -0.03 0.00 0.31 0.00 0.00 61.69 60.65 1rkj s THR 50 Cb 0.06 -3.01 0.04 0.00 0.01 0.00 0.00 72.50 69.60 1rkj s THR 50 CO 0.02 -0.06 0.06 -0.83 -0.69 0.00 0.00 174.62 173.13 1rkj s GLY 51 N -3.98 0.29 0.23 4.40 0.00 0.13 -4.83 107.32 103.56 1rkj s GLY 51 Ca 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 45.12 1rkj s GLY 51 CO 0.25 1.48 0.00 2.41 0.00 0.00 0.00 173.10 177.24 1rkj n THR 52 N 5.27 -5.94 0.00 0.90 -1.04 -1.26 -2.06 114.28 110.15 1rkj n THR 52 Ca -0.05 2.09 0.00 0.00 -2.04 0.00 0.00 64.05 64.05 1rkj n THR 52 Cb 0.50 -2.99 0.00 0.00 -1.82 0.00 0.00 70.33 66.02 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 0.97 0.00 -2.91 8.00 2.85 -1.26 -0.25 115.26 122.65 1rkj n ASN 53 Ca 0.00 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.34 1rkj n ASN 53 Cb 0.00 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.03 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 -3.48 1.06 0.00 1.20 1.74 -1.26 -4.77 116.66 111.14 1rkj n ARG 54 Ca 0.00 -3.11 0.00 0.00 -0.77 0.00 0.00 57.85 53.97 1rkj n ARG 54 Cb 0.00 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 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 0.09 0.00 -3.83 5.56 3.00 0.65 -5.03 118.16 118.60 1rkj n LYS 55 Ca 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.46 1rkj n LYS 55 Cb 0.74 -0.24 0.01 0.00 0.00 0.00 0.00 35.03 35.53 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 -0.76 0.00 -0.06 5.64 -0.12 -0.88 -4.71 117.98 117.09 1rkj s PHE 56 Ca 0.00 -0.23 0.03 0.00 -0.05 0.00 0.00 56.93 56.68 1rkj s PHE 56 Cb 0.00 0.61 0.01 0.00 -0.63 0.00 0.00 43.02 43.01 1rkj s PHE 56 CO 0.00 -0.54 -0.14 0.20 -0.05 0.00 0.00 175.22 174.68 1rkj s GLY 57 N -3.36 0.85 0.25 1.99 0.00 -0.95 0.18 107.32 106.30 1rkj s GLY 57 Ca 0.21 -0.52 0.04 0.00 0.00 0.00 0.00 44.72 44.45 1rkj s GLY 57 CO 0.01 -0.04 0.38 -0.47 0.00 0.00 0.00 173.10 172.98 1rkj s TYR 58 N 0.46 3.46 -0.20 1.90 6.14 -0.12 -0.15 117.35 128.84 1rkj s TYR 58 Ca -0.12 0.03 -0.27 0.00 0.64 0.00 0.00 57.07 57.35 1rkj s TYR 58 Cb -0.15 -1.62 0.09 0.00 0.42 0.00 0.00 41.96 40.71 1rkj s TYR 58 CO 0.04 0.40 0.85 0.54 0.64 0.00 0.00 175.55 178.01 1rkj s VAL 59 N -2.02 0.00 0.03 3.14 0.11 -0.31 -2.08 120.40 119.27 1rkj s VAL 59 Ca 0.35 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.44 1rkj s VAL 59 Cb -0.09 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 1rkj s VAL 59 CO 0.30 0.00 -0.06 -0.62 -3.33 0.00 0.00 175.10 171.39 1rkj s ASP 60 N -0.29 4.70 0.06 3.54 -1.08 -0.76 0.26 116.67 123.10 1rkj s ASP 60 Ca -0.02 -0.17 0.01 0.00 -0.52 0.00 0.00 52.55 51.85 1rkj s ASP 60 Cb -0.03 -1.09 -0.04 0.00 -1.46 0.00 0.00 42.92 40.30 1rkj s ASP 60 CO 0.01 0.25 0.14 -0.36 0.52 0.00 0.00 175.17 175.74 1rkj s PHE 61 N -1.08 3.36 0.27 -5.34 0.40 0.20 -0.76 117.98 115.03 1rkj s PHE 61 Ca 0.19 0.18 -0.00 0.00 -0.60 0.00 0.00 56.93 56.70 1rkj s PHE 61 Cb -0.11 -1.70 0.54 0.00 0.51 0.00 0.00 43.02 42.25 1rkj s PHE 61 CO 0.10 0.56 1.80 1.49 0.70 0.00 0.00 175.22 179.87 1rkj h GLU 62 N 3.31 0.78 0.00 0.44 4.81 -1.86 -3.41 114.58 118.64 1rkj h GLU 62 Ca -0.46 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1rkj h GLU 62 Cb 1.16 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1rkj h GLU 62 CO 0.70 0.51 0.00 0.45 -0.73 0.00 0.00 179.01 179.95 1rkj n SER 63 N -4.75 0.00 -0.56 1.04 2.88 -1.26 -4.87 113.62 106.11 1rkj n SER 63 Ca 0.18 0.00 0.43 0.00 -1.33 0.00 0.00 58.87 58.15 1rkj n SER 63 Cb 0.39 0.00 0.67 0.00 -0.75 0.00 0.00 64.21 64.52 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 1.51 -0.25 -1.46 0.00 -1.26 -0.19 120.51 118.09 1rkj n ALA 64 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1rkj n ALA 64 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1rkj n ALA 64 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1rkj n GLU 65 N -3.79 0.00 -0.03 0.00 4.07 -1.26 -0.27 120.64 119.37 1rkj n GLU 65 Ca 0.37 0.38 0.10 0.00 -0.06 0.00 0.00 57.16 57.95 1rkj n GLU 65 Cb 1.63 -1.27 0.50 0.00 -0.06 0.00 0.00 31.44 32.24 1rkj n GLU 65 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1rkj h ASP 66 N 0.00 0.34 -0.15 4.31 5.19 -1.41 -1.98 116.42 122.72 1rkj h ASP 66 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 1rkj h ASP 66 Cb 0.00 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.43 1rkj h ASP 66 CO 0.00 0.22 0.01 0.25 -3.12 0.00 0.00 179.24 176.60 1rkj h LEU 67 N 0.39 0.25 -0.13 1.55 6.46 -0.61 -2.28 115.31 120.94 1rkj h LEU 67 Ca 0.22 -0.29 0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1rkj h LEU 67 Cb 0.36 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 1rkj h LEU 67 CO -0.05 0.48 -0.08 -0.33 -0.62 0.00 0.00 178.44 177.84 1rkj h GLU 68 N 0.02 -0.08 -0.53 1.25 5.08 0.10 -1.66 114.58 118.77 1rkj h GLU 68 Ca 0.04 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.49 1rkj h GLU 68 Cb 0.34 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 1rkj h GLU 68 CO 0.01 -0.05 0.18 -0.22 -1.00 0.00 0.00 179.01 177.92 1rkj h LYS 69 N -0.08 0.34 0.27 2.33 1.63 -1.42 -1.77 116.57 117.87 1rkj h LYS 69 Ca 0.08 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 1rkj h LYS 69 Cb 0.19 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 1rkj h LYS 69 CO -0.17 0.23 -0.24 0.00 -3.45 0.00 0.00 179.45 175.81 1rkj h ALA 70 N 1.36 -0.97 -1.16 5.00 0.00 -0.89 -1.40 119.26 121.20 1rkj h ALA 70 Ca 0.26 -0.10 0.36 0.00 0.00 0.00 0.00 54.91 55.43 1rkj h ALA 70 Cb 0.30 0.45 -0.12 0.00 0.00 0.00 0.00 17.79 18.42 1rkj h ALA 70 CO -0.27 -0.98 0.73 1.25 0.00 0.00 0.00 179.25 179.98 1rkj h LEU 71 N -0.50 0.37 -0.96 0.00 6.46 -1.18 1.13 115.31 120.63 1rkj h LEU 71 Ca -0.03 0.14 -0.08 0.00 -0.12 0.00 0.00 57.88 57.78 1rkj h LEU 71 Cb 0.43 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 1rkj h LEU 71 CO -0.01 -0.10 -0.11 -0.08 -0.62 0.00 0.00 178.44 177.52 1rkj h GLU 72 N 0.23 0.63 -2.80 1.25 4.81 -0.72 -3.26 114.58 114.71 1rkj h GLU 72 Ca 0.73 -0.19 -0.81 0.00 -0.13 0.00 0.00 59.36 58.96 1rkj h GLU 72 Cb 2.05 -0.06 -0.27 0.00 0.63 0.00 0.00 28.75 31.10 1rkj h GLU 72 CO -0.43 0.73 0.94 1.28 -0.73 0.00 0.00 179.01 180.80 1rkj n LEU 73 N -4.18 6.68 0.00 1.64 4.77 0.39 -4.92 117.00 121.37 1rkj n LEU 73 Ca 0.01 -5.22 0.00 0.00 -0.03 0.00 0.00 56.01 50.77 1rkj n LEU 73 Cb 0.34 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 1rkj n LEU 73 CO 0.41 1.76 0.18 0.41 -1.33 0.00 0.00 177.39 178.83 1rkj n THR 74 N 1.14 0.00 0.00 -5.08 -1.04 -1.23 -4.24 114.28 103.83 1rkj n THR 74 Ca 0.32 0.74 0.00 0.00 -2.04 0.00 0.00 64.05 63.07 1rkj n THR 74 Cb 0.32 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 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 -0.84 0.43 7.00 3.41 0.00 -1.26 -4.66 105.19 109.27 1rkj n GLY 75 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 0.00 -1.83 0.99 4.77 -1.26 -4.92 117.00 114.75 1rkj n LEU 76 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1rkj n LEU 76 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1rkj n LEU 76 CO 0.00 0.00 -0.47 0.29 -1.33 0.00 0.00 177.39 175.88 1rkj n LYS 77 N 14.00 -4.95 -0.22 3.23 5.02 -1.26 -4.74 118.16 129.24 1rkj n LYS 77 Ca 0.00 3.62 -0.06 0.00 -2.02 0.00 0.00 58.31 59.85 1rkj n LYS 77 Cb 0.00 -4.05 0.04 0.00 -0.02 0.00 0.00 35.03 31.00 1rkj n LYS 77 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1rkj h VAL 78 N 2.51 1.17 0.00 -0.18 -1.51 -1.88 -3.45 116.25 112.91 1rkj h VAL 78 Ca 0.00 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 1rkj h VAL 78 Cb 0.00 0.28 0.00 0.00 -2.13 0.00 0.00 31.29 29.44 1rkj h VAL 78 CO 0.00 0.17 0.00 0.49 -1.23 0.00 0.00 177.57 177.00 1rkj n PHE 79 N -4.62 0.00 0.05 5.19 3.72 -1.26 -4.87 117.46 115.67 1rkj n PHE 79 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1rkj n PHE 79 Cb 0.04 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 1rkj n PHE 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rkj n GLY 80 N -1.05 -0.29 3.74 1.37 0.00 -1.26 -5.10 105.19 102.60 1rkj n GLY 80 Ca 0.00 0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1rkj n GLY 80 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rkj s ASN 81 N -4.44 7.56 1.09 1.61 0.01 -1.26 -5.04 114.94 114.46 1rkj s ASN 81 Ca 0.00 1.94 -0.14 0.00 -0.71 0.00 0.00 52.86 53.95 1rkj s ASN 81 Cb 0.00 -2.61 0.23 0.00 0.41 0.00 0.00 41.25 39.29 1rkj s ASN 81 CO 0.00 0.05 1.08 -0.70 -1.51 0.00 0.00 177.10 176.02 1rkj s GLU 82 N -0.83 -0.28 0.38 -0.60 -6.30 -1.26 -3.78 118.70 106.02 1rkj s GLU 82 Ca 0.43 0.44 0.04 0.00 -2.50 0.00 0.00 54.97 53.39 1rkj s GLU 82 Cb -0.26 -1.66 -0.03 0.00 0.00 0.00 0.00 34.13 32.18 1rkj s GLU 82 CO 0.32 -3.19 0.13 0.96 0.02 0.00 0.00 175.26 173.50 1rkj s ILE 83 N -2.86 0.59 -0.16 -3.70 -4.36 -1.26 -4.82 121.20 104.64 1rkj s ILE 83 Ca 0.67 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 59.02 1rkj s ILE 83 Cb -0.18 -2.42 -0.03 0.00 1.25 0.00 0.00 42.46 41.08 1rkj s ILE 83 CO 0.59 0.00 -0.03 -0.75 0.24 0.00 0.00 174.94 174.98 1rkj s LYS 84 N -3.73 3.68 -0.29 0.37 2.20 -0.65 -4.96 119.74 116.36 1rkj s LYS 84 Ca 0.27 -0.51 -0.05 0.00 -0.36 0.00 0.00 55.97 55.31 1rkj s LYS 84 Cb 0.03 -2.92 0.02 0.00 -1.51 0.00 0.00 37.83 33.45 1rkj s LYS 84 CO 0.16 0.24 0.05 -0.51 -0.36 0.00 0.00 175.35 174.93 1rkj s LEU 85 N 0.36 3.76 -0.29 5.43 1.02 -1.26 -2.16 118.68 125.53 1rkj s LEU 85 Ca -0.04 -0.81 -0.27 0.00 0.02 0.00 0.00 54.13 53.02 1rkj s LEU 85 Cb -0.14 -1.83 0.19 0.00 0.02 0.00 0.00 46.19 44.44 1rkj s LEU 85 CO 0.03 -0.20 1.41 -1.83 0.02 0.00 0.00 176.35 175.78 1rkj s GLU 86 N 1.44 0.04 -0.46 1.70 4.04 -0.91 -4.94 118.70 119.62 1rkj s GLU 86 Ca 0.01 0.03 0.04 0.00 0.04 0.00 0.00 54.97 55.09 1rkj s GLU 86 Cb -0.17 0.02 0.12 0.00 0.02 0.00 0.00 34.13 34.12 1rkj s GLU 86 CO 0.01 -0.01 0.20 -1.59 -1.84 0.00 0.00 175.26 172.03 1rkj s LYS 87 N -0.54 1.74 0.00 -4.83 -2.85 -1.26 -1.46 119.74 110.54 1rkj s LYS 87 Ca 0.08 -2.32 0.22 0.00 -1.00 0.00 0.00 55.97 52.95 1rkj s LYS 87 Cb -0.03 -3.15 -0.04 0.00 -2.06 0.00 0.00 37.83 32.54 1rkj s LYS 87 CO -0.12 -1.07 1.04 -0.35 0.10 0.00 0.00 175.35 174.96 1rkj n PRO 88 N 3.50 0.48 0.00 1.78 -0.04 -1.26 -4.78 135.00 134.68 1rkj n PRO 88 Ca 0.05 -0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.12 1rkj n PRO 88 Cb 0.35 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1rkj n PRO 88 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1rkj n LYS 89 N -0.92 0.00 -0.77 0.54 4.01 -1.26 -4.83 118.16 114.93 1rkj n LYS 89 Ca 0.06 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.86 1rkj n LYS 89 Cb 0.38 -0.18 0.00 0.00 -0.51 0.00 0.00 35.03 34.72 1rkj n LYS 89 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1rkj n GLY 90 N 0.00 1.09 0.00 0.72 0.00 -1.26 -4.94 105.19 100.80 1rkj n GLY 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1rkj n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1rkj n ARG 91 N -2.00 0.00 -3.62 1.61 0.63 -1.26 -4.99 116.66 107.03 1rkj n ARG 91 Ca 0.00 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.71 1rkj n ARG 91 Cb 0.00 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 32.75 1rkj n ARG 91 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1rkj s ASP 92 N -0.38 1.61 -0.12 6.15 1.01 -1.26 -5.00 116.67 118.69 1rkj s ASP 92 Ca 0.00 -0.21 0.19 0.00 0.71 0.00 0.00 52.55 53.24 1rkj s ASP 92 Cb 0.00 -0.03 -0.29 0.00 1.01 0.00 0.00 42.92 43.61 1rkj s ASP 92 CO 0.00 -0.30 0.26 -1.20 0.21 0.00 0.00 175.17 174.14 1rkj n SER 93 N 5.30 0.13 -4.98 0.27 7.64 -1.26 -4.84 113.62 115.88 1rkj n SER 93 Ca -0.05 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.63 1rkj n SER 93 Cb 0.49 1.46 0.01 0.00 -1.01 0.00 0.00 64.21 65.16 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 -2.96 2.93 -1.36 1.43 3.01 -1.26 -4.29 119.74 117.24 1rkj s LYS 94 Ca -0.09 -0.92 0.00 0.00 -1.01 0.00 0.00 55.97 53.95 1rkj s LYS 94 Cb 0.10 -2.69 0.00 0.00 -1.01 0.00 0.00 37.83 34.23 1rkj s LYS 94 CO 0.84 -0.23 0.00 1.17 0.51 0.00 0.00 175.35 177.64 1rkj n LYS 95 N -1.91 -1.32 0.00 1.68 3.00 -1.26 -4.66 118.16 113.68 1rkj n LYS 95 Ca 0.04 0.76 0.00 0.00 -0.00 0.00 0.00 58.31 59.11 1rkj n LYS 95 Cb 0.59 -5.01 0.00 0.00 0.00 0.00 0.00 35.03 30.60 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 -1.93 0.22 -2.66 3.15 0.24 -1.26 -5.00 118.33 111.10 1rkj n VAL 96 Ca -0.13 -0.32 -0.07 0.00 -2.04 0.00 0.00 64.34 61.78 1rkj n VAL 96 Cb 0.43 1.16 -0.01 0.00 -1.47 0.00 0.00 33.84 33.95 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 -0.11 -2.39 -3.60 7.34 1.74 -1.26 -0.42 116.66 117.96 1rkj n ARG 97 Ca 0.00 0.02 -0.28 0.00 -0.77 0.00 0.00 57.85 56.83 1rkj n ARG 97 Cb 0.28 -4.05 0.05 0.00 -1.02 0.00 0.00 32.46 27.71 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 -2.51 -2.55 -1.34 7.54 0.00 -1.26 0.17 120.51 120.56 1rkj n ALA 98 Ca 0.02 -0.18 -0.52 0.00 0.00 0.00 0.00 53.44 52.76 1rkj n ALA 98 Cb 0.44 -4.20 -0.08 0.00 0.00 0.00 0.00 19.45 15.61 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 -3.91 -1.30 -2.44 0.00 0.00 0.44 -1.29 120.51 112.00 1rkj n ALA 99 Ca -0.09 0.40 -0.06 0.00 0.00 0.00 0.00 53.44 53.69 1rkj n ALA 99 Cb 0.59 -1.49 0.03 0.00 0.00 0.00 0.00 19.45 18.59 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 2.88 -2.08 -4.45 0.00 1.74 -1.23 -4.84 116.66 108.68 1rkj n ARG 100 Ca 0.23 0.32 -0.22 0.00 -0.77 0.00 0.00 57.85 57.41 1rkj n ARG 100 Cb -0.03 -3.60 -0.10 0.00 -1.02 0.00 0.00 32.46 27.71 1rkj n ARG 100 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1rkj s THR 101 N -3.14 0.83 -0.11 0.55 -1.32 -0.42 -1.91 115.64 110.12 1rkj s THR 101 Ca 0.04 -2.00 -0.04 0.00 -1.21 0.00 0.00 61.69 58.48 1rkj s THR 101 Cb -0.01 -2.59 0.06 0.00 -1.51 0.00 0.00 72.50 68.45 1rkj s THR 101 CO 0.27 0.00 0.21 -1.48 -2.21 0.00 0.00 174.62 171.41 1rkj s LEU 102 N -3.50 -0.19 -0.11 9.08 -0.00 0.16 -1.72 118.68 122.41 1rkj s LEU 102 Ca 0.32 0.44 -0.09 0.00 -0.00 0.00 0.00 54.13 54.80 1rkj s LEU 102 Cb 0.06 0.48 -0.04 0.00 -0.00 0.00 0.00 46.19 46.69 1rkj s LEU 102 CO 0.15 -0.24 0.20 -0.22 -0.00 0.00 0.00 176.35 176.23 1rkj s LEU 103 N 2.36 4.38 -0.22 1.48 2.96 0.08 0.05 118.68 129.77 1rkj s LEU 103 Ca 0.02 0.55 -0.04 0.00 -0.22 0.00 0.00 54.13 54.43 1rkj s LEU 103 Cb -0.12 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.37 1rkj s LEU 103 CO -0.07 0.36 -0.02 0.00 -1.32 0.00 0.00 176.35 175.30 1rkj s ALA 104 N -0.84 2.91 0.47 5.97 0.00 0.17 0.10 121.76 130.54 1rkj s ALA 104 Ca 0.16 -1.11 0.08 0.00 0.00 0.00 0.00 51.96 51.09 1rkj s ALA 104 Cb -0.13 -1.75 0.03 0.00 0.00 0.00 0.00 23.12 21.27 1rkj s ALA 104 CO 0.05 -0.34 0.65 0.21 0.00 0.00 0.00 175.76 176.33 1rkj s LYS 105 N 1.33 2.65 -0.22 0.00 2.20 0.14 0.25 119.74 126.10 1rkj s LYS 105 Ca 0.04 -1.31 -0.09 0.00 -0.36 0.00 0.00 55.97 54.26 1rkj s LYS 105 Cb -0.14 -2.70 0.03 0.00 -1.51 0.00 0.00 37.83 33.50 1rkj s LYS 105 CO -0.01 -0.47 0.17 0.09 -0.36 0.00 0.00 175.35 174.77 1rkj n ASN 106 N -2.00 -2.87 -4.68 1.43 4.13 -1.19 0.07 115.26 110.15 1rkj n ASN 106 Ca 0.10 1.36 -0.26 0.00 1.68 0.00 0.00 54.58 57.47 1rkj n ASN 106 Cb 0.60 -5.17 -0.09 0.00 -1.54 0.00 0.00 39.78 33.58 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 -0.95 3.02 -0.06 3.41 2.01 -0.60 -4.17 118.68 121.33 1rkj s LEU 107 Ca -0.20 -1.16 0.15 0.00 0.01 0.00 0.00 54.13 52.94 1rkj s LEU 107 Cb 0.01 -1.25 0.54 0.00 0.01 0.00 0.00 46.19 45.50 1rkj s LEU 107 CO 0.77 -0.46 1.42 -0.24 1.01 0.00 0.00 176.35 178.85 1rkj n SER 108 N -1.10 3.57 -1.29 2.29 2.88 -1.26 -4.89 113.62 113.80 1rkj n SER 108 Ca -0.03 -2.25 -0.15 0.00 -1.33 0.00 0.00 58.87 55.11 1rkj n SER 108 Cb 0.65 -0.47 -0.06 0.00 -0.75 0.00 0.00 64.21 63.57 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 0.90 -0.14 -1.88 0.66 3.01 -1.26 -4.59 117.46 114.16 1rkj n PHE 109 Ca 0.20 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.62 1rkj n PHE 109 Cb 0.65 -2.91 -0.04 0.00 -0.01 0.00 0.00 39.48 37.17 1rkj n PHE 109 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1rkj n ASN 110 N -0.92 -0.55 -4.93 4.37 3.02 -1.26 -4.92 115.26 110.08 1rkj n ASN 110 Ca -0.15 -1.37 -0.25 0.00 -0.03 0.00 0.00 54.58 52.77 1rkj n ASN 110 Cb 0.56 0.16 0.02 0.00 -0.61 0.00 0.00 39.78 39.91 1rkj n ASN 110 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1rkj s ILE 111 N 0.00 4.05 0.00 2.41 -1.09 -1.26 -5.09 121.20 120.22 1rkj s ILE 111 Ca 0.00 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.25 1rkj s ILE 111 Cb 0.00 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 1rkj s ILE 111 CO 0.00 -0.49 0.00 0.35 -1.23 0.00 0.00 174.94 173.57 1rkj n THR 112 N -2.31 0.00 0.08 2.92 -2.24 -1.26 -5.02 114.28 106.45 1rkj n THR 112 Ca 0.02 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.82 1rkj n THR 112 Cb 0.57 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.26 -0.78 5.08 -1.97 -2.98 114.58 114.19 1rkj h GLU 113 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1rkj h GLU 113 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1rkj h GLU 113 CO 0.00 0.33 -0.21 0.22 -1.00 0.00 0.00 179.01 178.35 1rkj h ASP 114 N 0.00 -0.55 -0.55 1.42 3.58 -1.97 0.41 116.42 118.76 1rkj h ASP 114 Ca -0.09 0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.33 1rkj h ASP 114 Cb 1.46 0.17 -0.03 0.00 1.72 0.00 0.00 39.33 42.66 1rkj h ASP 114 CO 0.05 -0.29 0.10 -0.33 -2.88 0.00 0.00 179.24 175.89 1rkj h GLU 115 N -0.45 0.95 0.00 0.28 3.07 -1.98 -0.01 114.58 116.43 1rkj h GLU 115 Ca -0.03 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 1rkj h GLU 115 Cb 0.38 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1rkj h GLU 115 CO 0.00 0.87 0.00 1.28 -1.40 0.00 0.00 179.01 179.77 1rkj n LEU 116 N -4.23 0.00 0.20 1.33 4.77 -1.13 -1.16 117.00 116.78 1rkj n LEU 116 Ca 0.04 0.64 0.17 0.00 -0.03 0.00 0.00 56.01 56.83 1rkj n LEU 116 Cb 0.27 -0.14 0.70 0.00 -2.33 0.00 0.00 43.42 41.91 1rkj n LEU 116 CO 0.42 -0.14 1.15 0.07 -1.33 0.00 0.00 177.39 177.55 1rkj h LYS 117 N 0.00 0.00 -0.26 3.23 2.10 -0.27 0.22 116.57 121.59 1rkj h LYS 117 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1rkj h LYS 117 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1rkj h LYS 117 CO 0.00 0.00 0.05 1.49 -2.00 0.00 0.00 179.45 178.99 1rkj h GLU 118 N 0.00 0.43 -0.01 0.07 4.81 -0.64 -3.21 114.58 116.03 1rkj h GLU 118 Ca 0.11 -0.11 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 1rkj h GLU 118 Cb 1.10 -0.05 0.02 0.00 0.63 0.00 0.00 28.75 30.44 1rkj h GLU 118 CO -0.00 0.55 -0.83 -0.24 -0.73 0.00 0.00 179.01 177.76 1rkj h VAL 119 N 0.25 1.35 -1.11 0.32 3.04 0.94 -3.46 116.25 117.58 1rkj h VAL 119 Ca 0.08 -2.16 0.00 0.00 -1.01 0.00 0.00 66.70 63.61 1rkj h VAL 119 Cb 0.32 2.47 0.00 0.00 -2.01 0.00 0.00 31.29 32.07 1rkj h VAL 119 CO 0.00 0.65 0.00 0.49 -1.01 0.00 0.00 177.57 177.70 1rkj n PHE 120 N -4.03 0.00 0.00 3.17 3.72 -0.62 -4.82 117.46 114.88 1rkj n PHE 120 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1rkj n PHE 120 Cb 0.78 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.32 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 0.00 0.00 -0.19 -1.08 1.02 -1.26 -4.86 120.64 114.27 1rkj n GLU 121 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 1rkj n GLU 121 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 31.53 1rkj n GLU 121 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1rkj n ASP 122 N -2.03 1.78 -4.60 1.62 8.00 -1.26 -4.84 116.55 115.21 1rkj n ASP 122 Ca 0.00 -2.13 -0.43 0.00 0.71 0.00 0.00 54.79 52.94 1rkj n ASP 122 Cb 0.00 -0.35 -0.02 0.00 -0.02 0.00 0.00 41.12 40.73 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 -1.62 3.12 0.05 2.24 0.00 -1.26 -4.27 121.76 120.02 1rkj s ALA 123 Ca 0.15 -0.21 0.07 0.00 0.00 0.00 0.00 51.96 51.98 1rkj s ALA 123 Cb 0.10 -3.91 -0.23 0.00 0.00 0.00 0.00 23.12 19.09 1rkj s ALA 123 CO 0.07 -2.27 1.00 -0.07 0.00 0.00 0.00 175.76 174.50 1rkj h LEU 124 N 11.75 0.07 -7.62 0.00 3.38 -1.68 -3.42 115.31 117.79 1rkj h LEU 124 Ca -0.26 -0.09 -0.65 0.00 0.09 0.00 0.00 57.88 56.97 1rkj h LEU 124 Cb 1.09 -0.02 -0.40 0.00 0.09 0.00 0.00 40.66 41.42 1rkj h LEU 124 CO 1.09 1.08 -0.72 -0.70 0.09 0.00 0.00 178.44 179.27 1rkj s GLU 125 N -2.66 1.41 -0.31 1.13 2.56 -0.94 -4.98 118.70 114.91 1rkj s GLU 125 Ca -0.03 -1.81 -0.12 0.00 0.00 0.00 0.00 54.97 53.01 1rkj s GLU 125 Cb 0.09 -3.07 -0.03 0.00 2.00 0.00 0.00 34.13 33.11 1rkj s GLU 125 CO 0.83 -0.95 0.23 0.42 -0.56 0.00 0.00 175.26 175.23 1rkj s ILE 126 N 0.94 5.28 -0.05 -3.70 1.01 -1.26 -0.57 121.20 122.86 1rkj s ILE 126 Ca 0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.70 1rkj s ILE 126 Cb -0.19 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.65 1rkj s ILE 126 CO -0.10 0.09 0.13 -0.13 0.00 0.00 0.00 174.94 174.93 1rkj s ARG 127 N 1.77 0.14 0.01 2.79 0.52 -0.52 -5.04 118.95 118.62 1rkj s ARG 127 Ca 0.07 0.20 0.08 0.00 -0.52 0.00 0.00 55.73 55.57 1rkj s ARG 127 Cb -0.17 0.03 -0.03 0.00 0.52 0.00 0.00 34.95 35.31 1rkj s ARG 127 CO 0.11 -0.04 -0.25 -0.48 0.02 0.00 0.00 175.30 174.66 1rkj s LEU 128 N 0.23 2.21 -0.50 2.53 2.34 -1.26 0.00 118.68 124.23 1rkj s LEU 128 Ca -0.01 -0.50 0.03 0.00 0.06 0.00 0.00 54.13 53.70 1rkj s LEU 128 Cb -0.02 -1.35 0.13 0.00 -0.56 0.00 0.00 46.19 44.39 1rkj s LEU 128 CO -0.01 0.29 0.25 -0.69 -1.06 0.00 0.00 176.35 175.13 1rkj s VAL 129 N -0.74 2.75 0.00 1.48 1.01 0.35 -4.89 120.40 120.35 1rkj s VAL 129 Ca 0.11 -3.02 0.00 0.00 0.00 0.00 0.00 61.98 59.07 1rkj s VAL 129 Cb -0.10 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1rkj s VAL 129 CO 0.01 -0.77 0.00 -1.54 0.00 0.00 0.00 175.10 172.80 1rkj n SER 130 N 3.45 0.00 -3.12 3.32 3.41 -1.26 -2.15 113.62 117.27 1rkj n SER 130 Ca 0.05 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.69 1rkj n SER 130 Cb 0.35 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1rkj n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rkj s GLN 131 N 0.00 0.50 1.76 4.33 -2.07 -1.26 -4.71 119.66 118.21 1rkj s GLN 131 Ca 0.00 0.20 0.00 0.00 -1.82 0.00 0.00 55.36 53.74 1rkj s GLN 131 Cb 0.00 0.15 0.00 0.00 -1.09 0.00 0.00 33.01 32.07 1rkj s GLN 131 CO 0.00 -0.84 0.00 -0.25 -1.32 0.00 0.00 175.29 172.88 1rkj n ASP 132 N 4.93 -0.65 -3.69 12.60 8.00 -1.26 -4.78 116.55 131.70 1rkj n ASP 132 Ca 0.07 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.37 1rkj n ASP 132 Cb 0.56 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.64 1rkj n ASP 132 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rkj n GLY 133 N 0.00 -0.24 1.73 0.44 0.00 -1.26 -2.88 105.19 102.98 1rkj n GLY 133 Ca 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.04 -0.49 -0.63 1.61 5.02 -1.26 -5.02 118.16 114.36 1rkj n LYS 134 Ca -0.12 0.83 -0.13 0.00 -2.02 0.00 0.00 58.31 56.87 1rkj n LYS 134 Cb 0.34 -2.10 0.09 0.00 -0.02 0.00 0.00 35.03 33.34 1rkj n LYS 134 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1rkj n SER 135 N -0.27 -2.68 0.00 4.39 7.64 -1.14 -4.83 113.62 116.73 1rkj n SER 135 Ca 0.01 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.65 1rkj n SER 135 Cb 0.06 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 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 -0.30 0.00 -3.19 1.43 3.00 -1.26 -4.96 118.16 112.87 1rkj n LYS 136 Ca 0.04 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.19 1rkj n LYS 136 Cb 0.26 -0.12 0.05 0.00 0.00 0.00 0.00 35.03 35.22 1rkj n LYS 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1rkj n GLY 137 N -0.76 -0.04 3.05 3.14 0.00 -1.22 -4.94 105.19 104.41 1rkj n GLY 137 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.21 -0.04 0.19 -0.61 1.01 -0.91 -1.56 121.20 116.06 1rkj s ILE 138 Ca 0.34 0.14 0.08 0.00 0.00 0.00 0.00 60.65 61.21 1rkj s ILE 138 Cb -0.15 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 1rkj s ILE 138 CO 0.48 0.06 -0.01 0.00 0.00 0.00 0.00 174.94 175.47 1rkj s ALA 139 N 1.17 3.17 0.03 9.38 0.00 0.14 -0.50 121.76 135.16 1rkj s ALA 139 Ca -0.09 -1.42 0.04 0.00 0.00 0.00 0.00 51.96 50.50 1rkj s ALA 139 Cb -0.10 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 1rkj s ALA 139 CO -0.08 0.45 -0.13 -0.47 0.00 0.00 0.00 175.76 175.53 1rkj s TYR 140 N -1.81 1.14 0.02 0.00 6.14 0.10 0.43 117.35 123.37 1rkj s TYR 140 Ca 0.28 -0.33 -0.07 0.00 0.64 0.00 0.00 57.07 57.59 1rkj s TYR 140 Cb -0.09 -0.68 -0.00 0.00 0.42 0.00 0.00 41.96 41.60 1rkj s TYR 140 CO 0.18 0.02 0.13 0.42 0.64 0.00 0.00 175.55 176.94 1rkj s ILE 141 N -0.78 0.11 0.12 3.14 1.09 0.11 -1.44 121.20 123.54 1rkj s ILE 141 Ca 0.01 -0.90 0.11 0.00 -1.10 0.00 0.00 60.65 58.77 1rkj s ILE 141 Cb -0.07 -0.70 -0.04 0.00 -1.06 0.00 0.00 42.46 40.58 1rkj s ILE 141 CO 0.01 -0.50 -0.27 -0.70 -0.10 0.00 0.00 174.94 173.39 1rkj s GLU 142 N -2.10 1.46 0.01 2.79 -6.30 0.27 0.36 118.70 115.18 1rkj s GLU 142 Ca -0.09 -1.31 0.08 0.00 -2.50 0.00 0.00 54.97 51.15 1rkj s GLU 142 Cb -0.04 -1.91 -0.02 0.00 0.00 0.00 0.00 34.13 32.16 1rkj s GLU 142 CO -0.02 0.46 -0.25 -0.06 0.02 0.00 0.00 175.26 175.41 1rkj s PHE 143 N -1.02 2.19 0.50 5.30 0.40 -0.80 -1.79 117.98 122.74 1rkj s PHE 143 Ca 0.14 -0.41 0.23 0.00 -0.60 0.00 0.00 56.93 56.29 1rkj s PHE 143 Cb -0.10 -1.37 1.26 0.00 0.51 0.00 0.00 43.02 43.32 1rkj s PHE 143 CO 0.05 0.03 1.68 1.57 0.70 0.00 0.00 175.22 179.25 1rkj h LYS 144 N 5.23 0.00 -2.22 0.44 2.10 -1.78 -3.41 116.57 116.93 1rkj h LYS 144 Ca -0.43 0.00 0.19 0.00 -2.00 0.00 0.00 60.65 58.40 1rkj h LYS 144 Cb 1.13 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 32.37 1rkj h LYS 144 CO 0.46 0.00 0.53 0.45 -2.00 0.00 0.00 179.45 178.89 1rkj s SER 145 N -4.05 -0.19 0.10 7.07 0.15 -1.26 -5.05 113.70 110.47 1rkj s SER 145 Ca -0.03 -0.31 -0.14 0.00 0.70 0.00 0.00 55.95 56.17 1rkj s SER 145 Cb 0.07 0.43 -0.14 0.00 -1.71 0.00 0.00 66.02 64.67 1rkj s SER 145 CO 0.21 -0.79 1.33 -0.08 1.20 0.00 0.00 173.24 175.11 1rkj h GLU 146 N 2.00 0.75 -0.56 5.44 4.57 -1.83 -2.71 114.58 122.24 1rkj h GLU 146 Ca -0.24 -0.55 0.06 0.00 -1.18 0.00 0.00 59.36 57.44 1rkj h GLU 146 Cb 1.23 0.09 -0.09 0.00 -0.16 0.00 0.00 28.75 29.83 1rkj h GLU 146 CO 0.26 1.17 -0.53 0.00 -1.18 0.00 0.00 179.01 178.74 1rkj h ALA 147 N 0.58 -0.67 0.00 2.92 0.00 -1.98 0.53 119.26 120.64 1rkj h ALA 147 Ca -0.02 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1rkj h ALA 147 Cb 1.23 1.18 -0.01 0.00 0.00 0.00 0.00 17.79 20.20 1rkj h ALA 147 CO 0.13 -0.97 -0.23 -0.44 0.00 0.00 0.00 179.25 177.74 1rkj h ASP 148 N -0.25 0.00 0.60 0.00 5.19 -1.99 -2.49 116.42 117.48 1rkj h ASP 148 Ca 0.09 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 1rkj h ASP 148 Cb 0.50 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.01 1rkj h ASP 148 CO -0.66 0.23 -0.29 0.00 -3.12 0.00 0.00 179.24 175.41 1rkj h ALA 149 N 1.77 -0.80 -0.19 3.45 0.00 0.13 -1.14 119.26 122.48 1rkj h ALA 149 Ca -0.00 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1rkj h ALA 149 Cb 0.48 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1rkj h ALA 149 CO 0.03 -0.86 0.08 1.49 0.00 0.00 0.00 179.25 179.99 1rkj h GLU 150 N -0.99 0.17 0.09 0.00 4.57 -0.14 0.37 114.58 118.65 1rkj h GLU 150 Ca -0.08 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1rkj h GLU 150 Cb 0.67 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 1rkj h GLU 150 CO 0.13 0.11 -0.11 -0.22 -1.18 0.00 0.00 179.01 177.74 1rkj h LYS 151 N 0.17 -0.20 -0.71 1.92 3.64 -1.46 -0.62 116.57 119.32 1rkj h LYS 151 Ca 0.08 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.57 1rkj h LYS 151 Cb 0.04 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 1rkj h LYS 151 CO -0.08 -0.13 0.34 -0.91 -2.27 0.00 0.00 179.45 176.40 1rkj h ASN 152 N -0.21 0.43 0.00 4.20 4.21 -1.21 -1.52 115.58 121.49 1rkj h ASN 152 Ca -0.01 0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.57 1rkj h ASN 152 Cb 0.19 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 1rkj h ASN 152 CO -0.03 0.24 0.00 -0.11 -1.29 0.00 0.00 177.43 176.24 1rkj n LEU 153 N -4.88 0.00 -0.19 1.61 7.94 0.13 0.13 117.00 121.74 1rkj n LEU 153 Ca 0.11 0.68 0.30 0.00 -1.11 0.00 0.00 56.01 55.99 1rkj n LEU 153 Cb 0.29 -0.18 0.66 0.00 0.53 0.00 0.00 43.42 44.71 1rkj n LEU 153 CO 0.24 -0.18 1.27 -0.33 -1.11 0.00 0.00 177.39 177.28 1rkj h GLU 154 N 0.00 0.00 0.00 1.96 3.07 -1.09 0.88 114.58 119.40 1rkj h GLU 154 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1rkj h GLU 154 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1rkj h GLU 154 CO 0.00 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 178.00 1rkj n GLU 155 N -3.70 0.00 0.24 2.33 1.02 -0.58 -3.77 120.64 116.18 1rkj n GLU 155 Ca 0.20 0.26 0.16 0.00 -0.02 0.00 0.00 57.16 57.77 1rkj n GLU 155 Cb 1.20 -0.97 0.83 0.00 -0.02 0.00 0.00 31.44 32.48 1rkj n GLU 155 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1rkj h LYS 156 N 0.00 0.00 -1.37 3.49 6.56 0.14 -3.08 116.57 122.31 1rkj h LYS 156 Ca 0.00 0.00 0.42 0.00 -1.06 0.00 0.00 60.65 60.01 1rkj h LYS 156 Cb 0.00 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 31.58 1rkj h LYS 156 CO 0.00 0.00 0.95 0.94 -2.06 0.00 0.00 179.45 179.28 1rkj n GLN 157 N -2.65 -0.01 -3.84 3.15 0.00 0.30 -1.57 117.38 112.77 1rkj n GLN 157 Ca -0.01 0.91 -0.30 0.00 -0.00 0.00 0.00 57.00 57.59 1rkj n GLN 157 Cb 0.09 -1.96 -0.11 0.00 0.00 0.00 0.00 30.24 28.26 1rkj n GLN 157 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1rkj s GLY 158 N -3.80 2.93 0.00 1.69 0.00 -1.16 -4.73 107.32 102.24 1rkj s GLY 158 Ca -0.05 -3.79 0.00 0.00 0.00 0.00 0.00 44.72 40.89 1rkj s GLY 158 CO 0.68 1.10 0.00 0.00 0.00 0.00 0.00 173.10 174.88 1rkj n ALA 159 N 2.18 0.00 -2.79 3.20 0.00 -0.61 -5.07 120.51 117.42 1rkj n ALA 159 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.60 1rkj n ALA 159 Cb 0.35 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.82 1rkj n ALA 159 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1rkj s GLU 160 N 2.52 0.84 -0.11 0.00 2.02 -1.26 -3.66 118.70 119.05 1rkj s GLU 160 Ca 0.00 -0.77 0.12 0.00 0.02 0.00 0.00 54.97 54.35 1rkj s GLU 160 Cb 0.00 -0.02 -0.24 0.00 0.10 0.00 0.00 34.13 33.97 1rkj s GLU 160 CO 0.00 -1.06 0.39 -0.89 0.02 0.00 0.00 175.26 173.72 1rkj n ILE 161 N 3.06 1.54 -2.68 -1.63 5.41 -1.26 -4.55 119.36 119.26 1rkj n ILE 161 Ca 0.15 -0.79 -0.08 0.00 1.00 0.00 0.00 62.75 63.03 1rkj n ILE 161 Cb 0.58 -0.92 0.03 0.00 -0.71 0.00 0.00 39.64 38.62 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 -2.99 1.91 -1.18 4.38 5.75 -1.26 -4.83 116.55 118.33 1rkj n ASP 162 Ca -0.25 -2.60 -0.11 0.00 -0.01 0.00 0.00 54.79 51.81 1rkj n ASP 162 Cb 1.08 -0.50 -0.05 0.00 -1.03 0.00 0.00 41.12 40.63 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 -0.31 1.08 0.10 6.12 0.00 -1.26 -4.66 105.19 106.26 1rkj n GLY 163 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.50 0.74 -3.37 1.61 0.00 -1.26 -5.05 116.66 107.83 1rkj n ARG 164 Ca -0.11 -0.97 -0.10 0.00 -0.00 0.00 0.00 57.85 56.66 1rkj n ARG 164 Cb 0.42 -0.68 0.00 0.00 0.00 0.00 0.00 32.46 32.20 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 -0.22 -6.56 -0.46 6.15 2.88 -1.24 -4.79 113.62 109.39 1rkj n SER 165 Ca 0.01 -0.45 -0.04 0.00 -1.33 0.00 0.00 58.87 57.06 1rkj n SER 165 Cb 0.50 -3.77 0.00 0.00 -0.75 0.00 0.00 64.21 60.18 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 -2.13 0.01 -3.72 2.46 3.14 -1.26 -4.55 118.33 112.28 1rkj n VAL 166 Ca -0.14 -0.05 -0.29 0.00 -2.96 0.00 0.00 64.34 60.91 1rkj n VAL 166 Cb 0.58 0.00 -0.04 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 -0.11 6.40 -0.29 6.55 0.01 0.11 -4.53 113.70 121.84 1rkj s SER 167 Ca 0.06 0.42 0.03 0.00 1.31 0.00 0.00 55.95 57.77 1rkj s SER 167 Cb -0.06 -2.02 0.20 0.00 0.21 0.00 0.00 66.02 64.35 1rkj s SER 167 CO 0.07 -0.00 0.60 -1.48 0.41 0.00 0.00 173.24 172.84 1rkj s LEU 168 N -3.11 -1.53 0.49 2.44 2.34 -1.26 0.25 118.68 118.30 1rkj s LEU 168 Ca 0.39 0.46 0.07 0.00 0.06 0.00 0.00 54.13 55.10 1rkj s LEU 168 Cb -0.11 2.08 0.01 0.00 -0.56 0.00 0.00 46.19 47.61 1rkj s LEU 168 CO 0.28 -0.28 0.40 -0.31 -1.06 0.00 0.00 176.35 175.38 1rkj s TYR 169 N 2.84 2.11 0.13 3.48 1.51 0.12 -4.83 117.35 122.71 1rkj s TYR 169 Ca 0.14 -0.68 -0.01 0.00 -1.01 0.00 0.00 57.07 55.52 1rkj s TYR 169 Cb -0.12 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 1rkj s TYR 169 CO -0.24 -0.33 0.31 1.52 -1.11 0.00 0.00 175.55 175.70 1rkj s TYR 170 N -2.63 3.49 -0.04 2.71 -0.85 -1.26 -0.74 117.35 118.02 1rkj s TYR 170 Ca 0.42 0.30 -0.04 0.00 -0.52 0.00 0.00 57.07 57.23 1rkj s TYR 170 Cb -0.02 -1.81 0.01 0.00 0.38 0.00 0.00 41.96 40.52 1rkj s TYR 170 CO 0.25 0.49 0.12 -0.08 -1.52 0.00 0.00 175.55 174.80 1rkj s THR 171 N -1.69 0.01 0.00 -3.49 -1.32 -0.70 -4.80 115.64 103.65 1rkj s THR 171 Ca 0.37 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.81 1rkj s THR 171 Cb -0.12 -0.18 0.00 0.00 -1.51 0.00 0.00 72.50 70.69 1rkj s THR 171 CO 0.28 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.27 1rkj n GLY 172 N 2.93 0.12 0.00 6.08 0.00 0.46 -1.71 105.19 113.07 1rkj n GLY 172 Ca -0.13 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1rkj n GLY 172 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rkj n GLU 173 N 0.00 0.00 0.10 1.61 2.13 -1.26 -4.79 120.64 118.43 1rkj n GLU 173 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1rkj n GLU 173 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1rkj n GLU 173 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1rkj n LYS 174 N 0.00 0.00 0.00 5.31 4.76 -1.26 -4.62 118.16 122.35 1rkj n LYS 174 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1rkj n LYS 174 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1rkj n LYS 174 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44