#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 -0.57 -2.82 1.61 7.64 -1.26 -4.99 113.62 113.23 1rkj n SER 2 Ca 0.00 0.20 -0.00 0.00 1.01 0.00 0.00 58.87 60.07 1rkj n SER 2 Cb 0.00 0.77 0.06 0.00 -1.01 0.00 0.00 64.21 64.03 1rkj n SER 2 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1rkj n HIS 3 N -2.51 0.84 -1.39 1.43 8.25 -1.26 -5.11 115.22 115.48 1rkj n HIS 3 Ca 0.00 -2.10 0.00 0.00 -0.26 0.00 0.00 57.72 55.36 1rkj n HIS 3 Cb 0.00 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1rkj n HIS 3 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1rkj n MET 4 N -0.71 -3.94 -3.67 -0.41 0.00 -1.26 -5.05 117.12 102.08 1rkj n MET 4 Ca 0.04 2.90 -0.09 0.00 0.00 0.00 0.00 57.70 60.55 1rkj n MET 4 Cb 0.81 -3.24 -0.09 0.00 0.00 0.00 0.00 33.22 30.70 1rkj n MET 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1rkj s VAL 5 N -2.66 -0.43 -0.38 2.03 0.11 -1.26 -5.11 120.40 112.70 1rkj s VAL 5 Ca 0.00 0.12 0.02 0.00 -2.93 0.00 0.00 61.98 59.19 1rkj s VAL 5 Cb 0.00 -0.69 0.18 0.00 -1.53 0.00 0.00 36.38 34.34 1rkj s VAL 5 CO 0.00 0.05 0.79 -1.83 -3.33 0.00 0.00 175.10 170.78 1rkj s GLU 6 N 2.18 0.59 -0.02 1.54 1.03 -1.26 -5.02 118.70 117.74 1rkj s GLU 6 Ca -0.05 -0.22 0.02 0.00 0.03 0.00 0.00 54.97 54.75 1rkj s GLU 6 Cb -0.10 0.06 -0.02 0.00 -0.80 0.00 0.00 34.13 33.27 1rkj s GLU 6 CO -0.14 -0.84 0.00 0.41 -1.33 0.00 0.00 175.26 173.36 1rkj n GLY 7 N 4.07 -0.09 2.65 -3.83 0.00 -1.26 -4.81 105.19 101.92 1rkj n GLY 7 Ca 0.09 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1rkj n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rkj n SER 8 N -2.11 2.19 -3.94 1.61 3.41 -1.26 -5.09 113.62 108.43 1rkj n SER 8 Ca -0.03 -2.64 -0.17 0.00 -0.26 0.00 0.00 58.87 55.76 1rkj n SER 8 Cb 0.56 -0.48 -0.09 0.00 -0.26 0.00 0.00 64.21 63.93 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 -3.50 1.54 0.00 4.33 0.41 -1.26 -5.16 118.70 115.06 1rkj s GLU 9 Ca 0.32 -1.87 0.00 0.00 -0.41 0.00 0.00 54.97 53.01 1rkj s GLU 9 Cb 0.39 0.03 0.00 0.00 -1.78 0.00 0.00 34.13 32.77 1rkj s GLU 9 CO -0.02 -0.46 0.00 0.43 -0.49 0.00 0.00 175.26 174.72 1rkj n SER 10 N -0.88 -0.96 -0.08 -0.19 7.64 -1.26 -5.01 113.62 112.88 1rkj n SER 10 Ca 0.02 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.76 1rkj n SER 10 Cb 0.65 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.80 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 -2.13 1.35 -3.54 0.44 5.66 -1.26 -4.99 114.28 109.81 1rkj n THR 11 Ca 0.00 -0.02 -0.16 0.00 -3.05 0.00 0.00 64.05 60.82 1rkj n THR 11 Cb 0.00 -2.03 -0.06 0.00 -1.55 0.00 0.00 70.33 66.69 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 -2.59 0.00 0.10 1.09 -1.32 -1.26 -5.08 115.64 106.58 1rkj s THR 12 Ca -0.26 0.00 -0.34 0.00 -1.21 0.00 0.00 61.69 59.87 1rkj s THR 12 Cb 0.07 -1.00 -0.15 0.00 -1.51 0.00 0.00 72.50 69.91 1rkj s THR 12 CO 0.36 0.00 1.55 -0.65 -2.21 0.00 0.00 174.62 173.67 1rkj h PRO 13 N 2.95 -0.77 -4.31 7.08 0.11 -1.99 -3.41 132.00 131.67 1rkj h PRO 13 Ca -0.25 0.05 -0.47 0.00 0.11 0.00 0.00 66.00 65.44 1rkj h PRO 13 Cb 1.15 0.17 -0.06 0.00 0.11 0.00 0.00 31.00 32.37 1rkj h PRO 13 CO 0.36 -0.51 1.33 1.19 -0.21 0.00 0.00 178.00 180.15 1rkj n PHE 14 N -5.44 0.60 -3.66 0.65 3.72 -1.26 -4.85 117.46 107.23 1rkj n PHE 14 Ca -0.09 0.40 -0.14 0.00 -0.05 0.00 0.00 57.45 57.57 1rkj n PHE 14 Cb 0.42 -1.91 -0.08 0.00 -0.94 0.00 0.00 39.48 36.96 1rkj n PHE 14 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1rkj s ASN 15 N 6.59 -0.64 0.00 4.37 3.84 -1.26 0.27 114.94 128.12 1rkj s ASN 15 Ca 1.07 1.21 0.05 0.00 0.21 0.00 0.00 52.86 55.40 1rkj s ASN 15 Cb -1.08 1.23 -0.03 0.00 -0.55 0.00 0.00 41.25 40.81 1rkj s ASN 15 CO 0.44 -0.23 -0.14 -0.22 -2.79 0.00 0.00 177.10 174.16 1rkj s LEU 16 N 0.25 2.78 -0.11 3.21 2.96 0.39 -4.41 118.68 123.76 1rkj s LEU 16 Ca -0.01 -0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1rkj s LEU 16 Cb -0.04 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1rkj s LEU 16 CO 0.01 0.29 -0.01 0.12 -1.32 0.00 0.00 176.35 175.44 1rkj s PHE 17 N -0.87 3.10 0.19 5.38 5.36 -0.44 -1.95 117.98 128.74 1rkj s PHE 17 Ca 0.14 0.03 -0.01 0.00 -0.96 0.00 0.00 56.93 56.14 1rkj s PHE 17 Cb -0.11 -1.84 -0.04 0.00 -0.34 0.00 0.00 43.02 40.69 1rkj s PHE 17 CO 0.04 0.30 0.10 0.42 -1.46 0.00 0.00 175.22 174.62 1rkj s ILE 18 N -0.46 0.13 0.11 3.12 1.01 0.96 -0.90 121.20 125.17 1rkj s ILE 18 Ca 0.08 -1.98 -0.25 0.00 0.00 0.00 0.00 60.65 58.50 1rkj s ILE 18 Cb -0.12 -2.38 0.08 0.00 0.01 0.00 0.00 42.46 40.05 1rkj s ILE 18 CO 0.02 -0.14 1.10 -0.83 0.00 0.00 0.00 174.94 175.09 1rkj s GLY 19 N -3.15 -0.10 0.00 6.18 0.00 0.06 -0.91 107.32 109.40 1rkj s GLY 19 Ca 0.34 0.02 0.00 0.00 0.00 0.00 0.00 44.72 45.08 1rkj s GLY 19 CO 0.09 1.91 0.00 -2.01 0.00 0.00 0.00 173.10 173.09 1rkj n ASN 20 N -0.89 0.00 0.00 1.64 5.15 -1.26 -1.96 115.26 117.94 1rkj n ASN 20 Ca -0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1rkj n ASN 20 Cb 0.60 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.85 1rkj n ASN 20 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1rkj n LEU 21 N 0.00 0.00 0.00 1.20 4.77 -1.26 -3.84 117.00 117.87 1rkj n LEU 21 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1rkj n LEU 21 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1rkj n LEU 21 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 172.86 1rkj n ASN 22 N 2.34 0.00 -3.11 -1.43 4.05 -1.26 -4.67 115.26 111.18 1rkj n ASN 22 Ca 0.00 0.00 -0.10 0.00 0.45 0.00 0.00 54.58 54.93 1rkj n ASN 22 Cb 0.00 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 40.99 1rkj n ASN 22 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1rkj n PRO 23 N 0.00 0.31 0.00 1.20 -0.02 -1.25 -2.45 135.00 132.79 1rkj n PRO 23 Ca 0.00 -0.73 0.00 0.00 -2.02 0.00 0.00 63.50 60.75 1rkj n PRO 23 Cb 0.00 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1rkj n PRO 23 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1rkj n ASN 24 N 5.50 0.00 -2.40 2.55 3.02 -1.26 -5.15 115.26 117.52 1rkj n ASN 24 Ca 0.13 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.63 1rkj n ASN 24 Cb 0.08 0.37 0.04 0.00 -0.61 0.00 0.00 39.78 39.66 1rkj n ASN 24 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1rkj n LYS 25 N -2.26 -0.06 -2.68 3.52 5.02 -1.03 -4.98 118.16 115.69 1rkj n LYS 25 Ca 0.00 -0.44 -0.42 0.00 -2.02 0.00 0.00 58.31 55.43 1rkj n LYS 25 Cb 0.00 -0.23 -0.03 0.00 -0.02 0.00 0.00 35.03 34.75 1rkj n LYS 25 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1rkj s SER 26 N -1.91 6.28 0.25 4.39 0.15 -1.26 -4.90 113.70 116.70 1rkj s SER 26 Ca 0.14 -0.37 -0.07 0.00 0.70 0.00 0.00 55.95 56.35 1rkj s SER 26 Cb -0.00 -2.50 0.41 0.00 -1.71 0.00 0.00 66.02 62.22 1rkj s SER 26 CO 0.10 -1.52 1.38 0.55 1.20 0.00 0.00 173.24 174.95 1rkj n VAL 27 N 6.33 -0.37 -0.32 4.45 3.14 -1.26 0.62 118.33 130.92 1rkj n VAL 27 Ca 0.03 2.03 0.01 0.00 -2.96 0.00 0.00 64.34 63.45 1rkj n VAL 27 Cb 0.48 -2.81 0.07 0.00 -1.06 0.00 0.00 33.84 30.51 1rkj n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rkj n ALA 28 N -3.66 0.01 -0.06 1.55 0.00 -1.26 0.24 120.51 117.34 1rkj n ALA 28 Ca 0.14 0.87 -0.05 0.00 0.00 0.00 0.00 53.44 54.41 1rkj n ALA 28 Cb 0.45 -0.44 0.16 0.00 0.00 0.00 0.00 19.45 19.62 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 0.68 -0.10 0.00 5.08 -0.22 -2.52 114.58 117.49 1rkj h GLU 29 Ca 0.34 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1rkj h GLU 29 Cb 0.55 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1rkj h GLU 29 CO -0.85 0.79 0.01 -0.07 -1.00 0.00 0.00 179.01 177.89 1rkj h LEU 30 N 0.61 -0.01 -0.52 1.33 3.38 0.36 0.38 115.31 120.84 1rkj h LEU 30 Ca 0.10 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1rkj h LEU 30 Cb 0.59 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1rkj h LEU 30 CO 0.04 0.01 0.30 0.07 0.09 0.00 0.00 178.44 178.95 1rkj h LYS 31 N 0.05 0.57 0.60 1.13 2.10 -0.44 -2.50 116.57 118.09 1rkj h LYS 31 Ca 0.05 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.63 1rkj h LYS 31 Cb 0.04 -0.13 0.01 0.00 -0.90 0.00 0.00 32.23 31.25 1rkj h LYS 31 CO -0.07 0.38 -0.29 0.28 -2.00 0.00 0.00 179.45 177.75 1rkj h VAL 32 N 0.59 0.31 -0.92 0.07 2.07 -1.04 -0.76 116.25 116.57 1rkj h VAL 32 Ca 0.22 -0.26 0.18 0.00 0.82 0.00 0.00 66.70 67.66 1rkj h VAL 32 Cb 0.06 0.39 -0.17 0.00 -1.52 0.00 0.00 31.29 30.05 1rkj h VAL 32 CO -0.11 0.03 -0.26 0.00 0.02 0.00 0.00 177.57 177.25 1rkj n ALA 33 N -2.56 0.15 -0.08 1.67 0.00 0.13 0.30 120.51 120.12 1rkj n ALA 33 Ca -0.12 0.99 -0.03 0.00 0.00 0.00 0.00 53.44 54.28 1rkj n ALA 33 Cb 0.35 -0.57 0.19 0.00 0.00 0.00 0.00 19.45 19.42 1rkj n ALA 33 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1rkj h ILE 34 N 0.00 1.24 0.00 0.00 1.08 -1.35 -2.17 117.51 116.30 1rkj h ILE 34 Ca 0.42 -0.98 0.00 0.00 -0.39 0.00 0.00 64.86 63.90 1rkj h ILE 34 Cb 0.65 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 35.32 1rkj h ILE 34 CO -0.94 0.34 0.00 -1.20 -0.69 0.00 0.00 178.15 175.66 1rkj n SER 35 N -4.22 0.00 -0.30 1.72 7.64 0.87 -2.19 113.62 117.13 1rkj n SER 35 Ca 0.02 0.63 0.18 0.00 1.01 0.00 0.00 58.87 60.71 1rkj n SER 35 Cb 0.30 -0.13 0.35 0.00 -1.01 0.00 0.00 64.21 63.72 1rkj n SER 35 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1rkj n GLU 36 N -0.90 -0.07 -0.11 1.43 1.02 0.22 0.07 120.64 122.32 1rkj n GLU 36 Ca 0.00 1.32 -0.12 0.00 -0.02 0.00 0.00 57.16 58.34 1rkj n GLU 36 Cb 0.00 -2.17 -0.08 0.00 -0.02 0.00 0.00 31.44 29.16 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 -1.56 -1.80 -4.62 7.12 -1.28 0.91 115.31 114.08 1rkj h LEU 37 Ca 0.62 0.20 0.00 0.00 0.13 0.00 0.00 57.88 58.83 1rkj h LEU 37 Cb 1.42 0.64 0.00 0.00 -0.53 0.00 0.00 40.66 42.18 1rkj h LEU 37 CO -0.80 -0.35 0.00 -0.26 -0.13 0.00 0.00 178.44 176.90 1rkj h PHE 38 N -0.35 0.00 0.03 1.25 0.04 0.13 -1.91 116.94 116.12 1rkj h PHE 38 Ca 0.06 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 1rkj h PHE 38 Cb 0.51 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.66 1rkj h PHE 38 CO -0.69 0.00 -0.23 0.00 -0.60 0.00 0.00 178.31 176.79 1rkj h ALA 39 N 2.04 -0.01 0.00 2.45 0.00 0.17 -3.20 119.26 120.72 1rkj h ALA 39 Ca 0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1rkj h ALA 39 Cb 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1rkj h ALA 39 CO 0.00 0.09 -0.26 0.87 0.00 0.00 0.00 179.25 179.95 1rkj h LYS 40 N -0.70 0.00 0.00 0.00 1.57 0.36 -1.89 116.57 115.91 1rkj h LYS 40 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1rkj h LYS 40 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1rkj h LYS 40 CO 0.04 0.26 0.00 0.09 -0.57 0.00 0.00 179.45 179.27 1rkj n ASN 41 N -3.69 0.00 -2.35 0.86 3.02 -0.77 -4.86 115.26 107.47 1rkj n ASN 41 Ca -0.01 0.16 -0.15 0.00 -0.03 0.00 0.00 54.58 54.56 1rkj n ASN 41 Cb 0.37 -0.35 -0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1rkj n ASN 41 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1rkj n ASP 42 N -1.35 -4.42 -0.59 6.41 9.92 -0.71 -4.81 116.55 121.00 1rkj n ASP 42 Ca 0.08 0.15 0.03 0.00 -0.53 0.00 0.00 54.79 54.52 1rkj n ASP 42 Cb 0.18 -3.75 0.11 0.00 -0.64 0.00 0.00 41.12 37.01 1rkj n ASP 42 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rkj n LEU 43 N -2.80 1.63 -3.91 0.64 -0.00 -1.21 -4.93 117.00 106.43 1rkj n LEU 43 Ca -0.17 -0.82 -0.34 0.00 -0.00 0.00 0.00 56.01 54.68 1rkj n LEU 43 Cb 0.62 -0.28 0.01 0.00 -0.00 0.00 0.00 43.42 43.77 1rkj n LEU 43 CO 0.20 0.33 -0.22 0.00 -0.00 0.00 0.00 177.39 177.71 1rkj n ALA 44 N 0.19 -2.69 -1.68 1.47 0.00 -1.26 -3.75 120.51 112.78 1rkj n ALA 44 Ca 0.08 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 1rkj n ALA 44 Cb 0.30 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 1rkj n ALA 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rkj s VAL 45 N -3.22 3.07 0.00 0.00 0.11 -1.26 -2.52 120.40 116.58 1rkj s VAL 45 Ca 0.21 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 1rkj s VAL 45 Cb -0.12 -3.07 0.00 0.00 -1.53 0.00 0.00 36.38 31.67 1rkj s VAL 45 CO 0.91 -0.02 0.78 0.52 -3.33 0.00 0.00 175.10 173.95 1rkj n VAL 46 N 6.41 0.00 -4.27 2.04 0.31 0.40 -4.91 118.33 118.30 1rkj n VAL 46 Ca 0.23 1.28 -0.16 0.00 -0.01 0.00 0.00 64.34 65.68 1rkj n VAL 46 Cb 0.43 -2.26 -0.09 0.00 -0.91 0.00 0.00 33.84 31.00 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 -2.03 0.98 -0.26 4.52 2.15 -0.68 -4.98 116.67 116.38 1rkj s ASP 47 Ca 0.00 -1.50 -0.06 0.00 0.43 0.00 0.00 52.55 51.42 1rkj s ASP 47 Cb 0.00 0.38 0.13 0.00 -0.30 0.00 0.00 42.92 43.13 1rkj s ASP 47 CO 0.00 -0.87 0.52 0.54 -0.17 0.00 0.00 175.17 175.19 1rkj s VAL 48 N -3.81 -0.82 0.26 1.11 0.11 -1.26 0.29 120.40 116.27 1rkj s VAL 48 Ca 0.38 0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.49 1rkj s VAL 48 Cb 0.06 -0.86 -0.03 0.00 -1.53 0.00 0.00 36.38 34.01 1rkj s VAL 48 CO 0.16 0.00 0.42 0.00 -3.33 0.00 0.00 175.10 172.36 1rkj s ARG 49 N 2.74 3.48 0.18 1.54 3.03 0.10 -4.95 118.95 125.07 1rkj s ARG 49 Ca 0.04 -0.50 0.01 0.00 2.03 0.00 0.00 55.73 57.31 1rkj s ARG 49 Cb -0.13 -2.81 -0.04 0.00 -1.03 0.00 0.00 34.95 30.94 1rkj s ARG 49 CO -0.17 0.34 0.35 0.99 -1.13 0.00 0.00 175.30 175.68 1rkj s THR 50 N -2.04 5.25 -0.90 4.99 2.01 -1.26 -2.34 115.64 121.35 1rkj s THR 50 Ca 0.37 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.87 1rkj s THR 50 Cb -0.10 -3.74 0.30 0.00 0.01 0.00 0.00 72.50 68.97 1rkj s THR 50 CO 0.31 -0.15 1.31 0.61 -0.69 0.00 0.00 174.62 176.01 1rkj n GLY 51 N -0.65 5.33 4.93 4.40 0.00 0.28 -4.85 105.19 114.63 1rkj n GLY 51 Ca -0.06 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.27 1rkj n GLY 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1rkj n THR 52 N 0.75 0.00 0.00 2.61 -1.04 -1.26 0.15 114.28 115.49 1rkj n THR 52 Ca 0.32 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 1rkj n THR 52 Cb 0.34 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 1rkj n THR 52 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1rkj n ASN 53 N 2.68 0.00 0.00 8.00 4.13 -1.26 -4.90 115.26 123.91 1rkj n ASN 53 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1rkj n ASN 53 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1rkj n ASN 53 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1rkj n ARG 54 N 0.00 0.00 -0.01 3.52 1.74 -1.18 -4.95 116.66 115.78 1rkj n ARG 54 Ca 0.00 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 1rkj n ARG 54 Cb 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.31 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 -0.82 0.52 -3.52 5.56 4.81 0.40 -4.58 118.16 120.53 1rkj n LYS 55 Ca 0.00 -0.14 -0.10 0.00 -0.87 0.00 0.00 58.31 57.20 1rkj n LYS 55 Cb 0.00 -1.39 -0.03 0.00 0.02 0.00 0.00 35.03 33.63 1rkj n LYS 55 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1rkj s PHE 56 N -3.10 -0.39 -0.04 5.64 0.08 -0.18 -4.78 117.98 115.21 1rkj s PHE 56 Ca -0.06 0.40 -0.02 0.00 0.12 0.00 0.00 56.93 57.38 1rkj s PHE 56 Cb 0.10 0.51 0.03 0.00 -0.57 0.00 0.00 43.02 43.09 1rkj s PHE 56 CO 0.67 -0.52 0.06 0.20 -0.10 0.00 0.00 175.22 175.54 1rkj s GLY 57 N -2.05 0.17 -0.01 4.36 0.00 -0.08 0.10 107.32 109.81 1rkj s GLY 57 Ca 0.02 0.25 0.02 0.00 0.00 0.00 0.00 44.72 45.01 1rkj s GLY 57 CO -0.05 1.28 -0.07 -0.19 0.00 0.00 0.00 173.10 174.06 1rkj s TYR 58 N 1.96 0.66 -0.02 1.90 2.02 -0.99 -0.03 117.35 122.85 1rkj s TYR 58 Ca 0.02 -0.12 -0.07 0.00 -0.37 0.00 0.00 57.07 56.53 1rkj s TYR 58 Cb -0.12 -0.43 0.01 0.00 -0.40 0.00 0.00 41.96 41.02 1rkj s TYR 58 CO -0.03 -0.01 0.15 0.54 -1.57 0.00 0.00 175.55 174.62 1rkj s VAL 59 N -0.17 0.06 -0.08 0.71 0.11 -0.83 0.03 120.40 120.23 1rkj s VAL 59 Ca 0.03 -0.46 0.01 0.00 -2.93 0.00 0.00 61.98 58.63 1rkj s VAL 59 Cb -0.03 -0.37 0.02 0.00 -1.53 0.00 0.00 36.38 34.47 1rkj s VAL 59 CO -0.00 -0.25 -0.09 1.51 -3.33 0.00 0.00 175.10 172.94 1rkj s ASP 60 N -0.89 1.86 0.51 3.54 -4.77 0.15 -0.46 116.67 116.61 1rkj s ASP 60 Ca -0.10 -0.28 0.07 0.00 -3.30 0.00 0.00 52.55 48.94 1rkj s ASP 60 Cb -0.05 -0.78 0.04 0.00 -1.09 0.00 0.00 42.92 41.04 1rkj s ASP 60 CO 0.01 -0.05 0.70 -0.36 0.70 0.00 0.00 175.17 176.17 1rkj s PHE 61 N 1.20 2.34 -0.38 2.11 0.08 0.14 0.15 117.98 123.62 1rkj s PHE 61 Ca -0.05 -0.41 0.06 0.00 0.12 0.00 0.00 56.93 56.64 1rkj s PHE 61 Cb -0.14 -2.45 0.44 0.00 -0.57 0.00 0.00 43.02 40.31 1rkj s PHE 61 CO -0.02 -0.80 1.24 -1.91 -0.10 0.00 0.00 175.22 173.63 1rkj n GLU 62 N -2.12 3.47 -3.62 0.44 2.13 -1.05 -4.33 120.64 115.56 1rkj n GLU 62 Ca 0.11 -4.20 -0.08 0.00 0.66 0.00 0.00 57.16 53.64 1rkj n GLU 62 Cb 0.60 -2.27 -0.06 0.00 0.27 0.00 0.00 31.44 29.98 1rkj n GLU 62 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1rkj s SER 63 N -3.39 -0.35 0.01 4.31 0.15 -1.26 -4.99 113.70 108.18 1rkj s SER 63 Ca 0.51 0.58 -0.04 0.00 0.70 0.00 0.00 55.95 57.70 1rkj s SER 63 Cb 0.41 0.56 -0.28 0.00 -1.71 0.00 0.00 66.02 65.00 1rkj s SER 63 CO -0.05 -0.19 0.87 0.00 1.20 0.00 0.00 173.24 175.07 1rkj h ALA 64 N 3.44 0.24 0.31 5.45 0.00 -1.97 -3.07 119.26 123.66 1rkj h ALA 64 Ca -0.24 -1.09 -0.02 0.00 0.00 0.00 0.00 54.91 53.57 1rkj h ALA 64 Cb 1.17 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1rkj h ALA 64 CO 0.19 1.11 -0.15 1.49 0.00 0.00 0.00 179.25 181.88 1rkj h GLU 65 N 0.07 -0.40 -0.82 0.00 4.57 -2.00 -2.40 114.58 113.60 1rkj h GLU 65 Ca -0.24 0.03 0.13 0.00 -1.18 0.00 0.00 59.36 58.10 1rkj h GLU 65 Cb 2.02 0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 30.64 1rkj h GLU 65 CO 0.17 -0.07 0.54 -0.44 -1.18 0.00 0.00 179.01 178.02 1rkj h ASP 66 N -0.94 0.59 0.13 1.04 3.32 -1.93 -1.79 116.42 116.84 1rkj h ASP 66 Ca -0.04 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1rkj h ASP 66 Cb 0.51 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1rkj h ASP 66 CO 0.07 0.32 -0.06 0.25 -1.72 0.00 0.00 179.24 178.09 1rkj h LEU 67 N 0.63 -0.15 -1.11 1.55 6.46 -1.54 -1.37 115.31 119.78 1rkj h LEU 67 Ca 0.40 -0.14 0.15 0.00 -0.12 0.00 0.00 57.88 58.18 1rkj h LEU 67 Cb 0.66 0.04 -0.09 0.00 -0.73 0.00 0.00 40.66 40.55 1rkj h LEU 67 CO -0.16 0.05 0.61 -0.08 -0.62 0.00 0.00 178.44 178.23 1rkj h GLU 68 N -0.34 0.78 0.38 1.25 4.22 -0.81 -1.87 114.58 118.20 1rkj h GLU 68 Ca -0.02 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.36 1rkj h GLU 68 Cb 0.28 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1rkj h GLU 68 CO 0.03 0.52 -0.18 -0.22 -2.18 0.00 0.00 179.01 176.97 1rkj h LYS 69 N 0.81 -0.50 -1.10 1.92 3.64 -1.15 -0.48 116.57 119.71 1rkj h LYS 69 Ca 0.51 0.03 0.30 0.00 -1.27 0.00 0.00 60.65 60.22 1rkj h LYS 69 Cb 0.73 0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 32.57 1rkj h LYS 69 CO -0.28 -0.19 0.72 0.00 -2.27 0.00 0.00 179.45 177.42 1rkj h ALA 70 N -0.36 2.43 0.00 5.00 0.00 -0.65 0.87 119.26 126.55 1rkj h ALA 70 Ca -0.05 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1rkj h ALA 70 Cb 0.54 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1rkj h ALA 70 CO 0.09 -0.86 -0.74 1.25 0.00 0.00 0.00 179.25 178.99 1rkj h LEU 71 N 0.29 0.00 -0.77 0.00 6.46 -1.21 -3.29 115.31 116.79 1rkj h LEU 71 Ca 0.62 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 58.31 1rkj h LEU 71 Cb 1.76 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.66 1rkj h LEU 71 CO -0.27 0.62 0.19 -0.33 -0.62 0.00 0.00 178.44 178.03 1rkj h GLU 72 N 0.00 1.12 0.00 1.25 5.08 0.25 -3.37 114.58 118.91 1rkj h GLU 72 Ca -0.03 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1rkj h GLU 72 Cb 1.50 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1rkj h GLU 72 CO 0.08 0.98 0.00 1.28 -1.00 0.00 0.00 179.01 180.34 1rkj n LEU 73 N -4.24 0.00 0.00 1.33 4.77 -0.80 -4.91 117.00 113.15 1rkj n LEU 73 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1rkj n LEU 73 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1rkj n LEU 73 CO 0.42 0.00 0.00 1.07 -1.33 0.00 0.00 177.39 177.55 1rkj n THR 74 N 0.00 0.00 0.00 -5.08 5.66 -1.26 -5.02 114.28 108.58 1rkj n THR 74 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1rkj n THR 74 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 -0.74 0.00 5.00 1.09 0.00 -1.26 -4.99 105.19 104.29 1rkj n GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.26 0.99 4.77 -1.26 -4.43 117.00 114.81 1rkj n LEU 76 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 1rkj n LEU 76 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1rkj n LEU 76 CO 0.00 0.00 -0.43 0.29 -1.33 0.00 0.00 177.39 175.92 1rkj n LYS 77 N 0.00 -2.95 0.00 3.23 5.02 -1.26 -4.91 118.16 117.29 1rkj n LYS 77 Ca 0.00 2.41 0.00 0.00 -2.02 0.00 0.00 58.31 58.70 1rkj n LYS 77 Cb 0.00 -3.83 0.00 0.00 -0.02 0.00 0.00 35.03 31.18 1rkj n LYS 77 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1rkj n VAL 78 N 0.99 0.00 -1.06 -0.18 0.24 -1.26 -4.21 118.33 112.85 1rkj n VAL 78 Ca -0.22 0.72 0.01 0.00 -2.04 0.00 0.00 64.34 62.81 1rkj n VAL 78 Cb 0.34 -1.11 0.01 0.00 -1.47 0.00 0.00 33.84 31.61 1rkj n VAL 78 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1rkj n PHE 79 N -0.78 0.00 0.00 6.34 3.01 -1.26 -4.96 117.46 119.81 1rkj n PHE 79 Ca 0.00 -0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.31 1rkj n PHE 79 Cb 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 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 -0.19 0.96 0.00 1.37 0.00 -1.26 -5.04 105.19 101.04 1rkj n GLY 80 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1rkj n GLY 80 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rkj n ASN 81 N 0.00 0.35 -1.47 1.61 4.13 -1.26 -5.13 115.26 113.50 1rkj n ASN 81 Ca 0.00 -0.67 0.13 0.00 1.68 0.00 0.00 54.58 55.72 1rkj n ASN 81 Cb 0.00 0.64 -0.07 0.00 -1.54 0.00 0.00 39.78 38.81 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 -0.64 -3.42 -4.10 3.52 2.13 -1.26 -4.96 120.64 111.90 1rkj n GLU 82 Ca 0.00 2.77 -0.13 0.00 0.66 0.00 0.00 57.16 60.46 1rkj n GLU 82 Cb 0.00 -3.86 -0.06 0.00 0.27 0.00 0.00 31.44 27.79 1rkj n GLU 82 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 1rkj s ILE 83 N -4.61 0.00 -0.27 6.31 -4.36 -1.26 -4.67 121.20 112.33 1rkj s ILE 83 Ca 0.00 -1.66 -0.11 0.00 -0.26 0.00 0.00 60.65 58.62 1rkj s ILE 83 Cb 0.00 -2.48 -0.05 0.00 1.25 0.00 0.00 42.46 41.18 1rkj s ILE 83 CO 0.00 0.00 0.18 -0.54 0.24 0.00 0.00 174.94 174.82 1rkj s LYS 84 N -3.59 3.96 0.23 0.37 -0.14 -0.83 -4.98 119.74 114.76 1rkj s LYS 84 Ca 0.31 -0.32 0.08 0.00 -1.36 0.00 0.00 55.97 54.68 1rkj s LYS 84 Cb 0.01 -3.64 -0.04 0.00 -1.68 0.00 0.00 37.83 32.48 1rkj s LYS 84 CO 0.16 -0.15 0.05 -0.51 -0.76 0.00 0.00 175.35 174.14 1rkj s LEU 85 N 1.67 3.40 0.00 3.17 2.01 -1.26 -0.76 118.68 126.92 1rkj s LEU 85 Ca 0.07 -0.45 -0.29 0.00 0.01 0.00 0.00 54.13 53.48 1rkj s LEU 85 Cb -0.16 -1.97 0.10 0.00 0.01 0.00 0.00 46.19 44.17 1rkj s LEU 85 CO 0.10 0.03 1.26 -0.70 1.01 0.00 0.00 176.35 178.05 1rkj s GLU 86 N -3.43 0.49 0.02 1.70 2.12 -0.08 -4.95 118.70 114.57 1rkj s GLU 86 Ca 0.30 -0.30 -0.04 0.00 0.36 0.00 0.00 54.97 55.30 1rkj s GLU 86 Cb -0.08 0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.42 1rkj s GLU 86 CO 0.21 -0.23 0.24 0.15 -0.54 0.00 0.00 175.26 175.09 1rkj s LYS 87 N -2.24 3.51 0.42 4.30 1.02 -1.26 -1.33 119.74 124.15 1rkj s LYS 87 Ca 0.21 -0.23 -0.24 0.00 0.02 0.00 0.00 55.97 55.73 1rkj s LYS 87 Cb 0.02 -3.05 -0.11 0.00 -0.52 0.00 0.00 37.83 34.16 1rkj s LYS 87 CO -0.02 0.63 0.85 -2.30 -0.92 0.00 0.00 175.35 173.59 1rkj n PRO 88 N 0.80 1.04 -3.81 -1.68 -0.02 -1.26 -4.83 135.00 125.24 1rkj n PRO 88 Ca -0.09 0.38 -0.12 0.00 -2.02 0.00 0.00 63.50 61.65 1rkj n PRO 88 Cb 0.52 -1.84 -0.01 0.00 -0.02 0.00 0.00 33.50 32.15 1rkj n PRO 88 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1rkj n LYS 89 N 0.27 0.84 -3.36 -0.52 2.85 -1.26 -5.10 118.16 111.89 1rkj n LYS 89 Ca 0.10 -2.49 -0.38 0.00 -1.05 0.00 0.00 58.31 54.50 1rkj n LYS 89 Cb 0.39 2.64 -0.06 0.00 -0.65 0.00 0.00 35.03 37.35 1rkj n LYS 89 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1rkj s GLY 90 N -3.06 2.38 -0.13 2.58 0.00 -1.26 -5.05 107.32 102.78 1rkj s GLY 90 Ca 0.23 -0.22 -0.33 0.00 0.00 0.00 0.00 44.72 44.39 1rkj s GLY 90 CO 0.17 0.66 1.16 1.09 0.00 0.00 0.00 173.10 176.17 1rkj s ARG 91 N 0.41 0.42 -0.30 2.90 1.04 -1.26 -5.16 118.95 117.01 1rkj s ARG 91 Ca 0.24 -0.17 -0.02 0.00 -1.04 0.00 0.00 55.73 54.75 1rkj s ARG 91 Cb -0.15 0.19 0.19 0.00 -2.04 0.00 0.00 34.95 33.13 1rkj s ARG 91 CO 0.10 -0.19 0.63 0.16 -0.04 0.00 0.00 175.30 175.96 1rkj s ASP 92 N -2.33 -1.33 -0.35 -2.89 -4.77 -1.26 -5.11 116.67 98.63 1rkj s ASP 92 Ca 0.09 0.88 0.06 0.00 -3.30 0.00 0.00 52.55 50.28 1rkj s ASP 92 Cb -0.00 2.14 0.18 0.00 -1.09 0.00 0.00 42.92 44.14 1rkj s ASP 92 CO -0.05 -0.25 0.53 -0.44 0.70 0.00 0.00 175.17 175.66 1rkj s SER 93 N 2.87 -0.73 0.00 2.11 0.01 -1.26 -5.07 113.70 111.63 1rkj s SER 93 Ca 0.19 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1rkj s SER 93 Cb -0.15 1.58 0.00 0.00 0.21 0.00 0.00 66.02 67.66 1rkj s SER 93 CO -0.20 -0.25 0.00 2.29 0.41 0.00 0.00 173.24 175.48 1rkj n LYS 94 N 4.82 0.00 -0.58 12.44 0.00 -1.26 -4.97 118.16 128.61 1rkj n LYS 94 Ca 0.08 0.00 0.45 0.00 -0.00 0.00 0.00 58.31 58.83 1rkj n LYS 94 Cb 0.53 0.00 0.68 0.00 -0.00 0.00 0.00 35.03 36.24 1rkj n LYS 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1rkj n LYS 95 N 0.00 0.00 -0.17 -1.58 5.02 -1.26 -0.19 118.16 119.98 1rkj n LYS 95 Ca 0.00 0.95 0.27 0.00 -2.02 0.00 0.00 58.31 57.51 1rkj n LYS 95 Cb 0.00 -2.21 0.48 0.00 -0.02 0.00 0.00 35.03 33.28 1rkj n LYS 95 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1rkj h VAL 96 N 0.00 0.05 -1.18 -0.18 3.04 -1.97 -2.01 116.25 113.99 1rkj h VAL 96 Ca 0.78 0.00 0.36 0.00 -1.01 0.00 0.00 66.70 66.84 1rkj h VAL 96 Cb 3.26 0.10 -0.07 0.00 -2.01 0.00 0.00 31.29 32.56 1rkj h VAL 96 CO -0.01 0.00 0.82 -2.11 -1.01 0.00 0.00 177.57 175.26 1rkj n ARG 97 N -3.31 -0.01 -2.92 4.17 1.85 0.73 0.57 116.66 117.74 1rkj n ARG 97 Ca 0.21 0.78 -0.29 0.00 -1.00 0.00 0.00 57.85 57.55 1rkj n ARG 97 Cb 1.41 -1.69 -0.03 0.00 -1.05 0.00 0.00 32.46 31.09 1rkj n ARG 97 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1rkj n ALA 98 N -2.60 4.85 -3.84 2.89 0.00 -0.76 -4.69 120.51 116.36 1rkj n ALA 98 Ca 0.29 -4.70 -0.27 0.00 0.00 0.00 0.00 53.44 48.76 1rkj n ALA 98 Cb 1.25 -0.93 -0.17 0.00 0.00 0.00 0.00 19.45 19.60 1rkj n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rkj s ALA 99 N -3.55 1.28 -0.74 0.00 0.00 0.19 -3.39 121.76 115.55 1rkj s ALA 99 Ca 0.47 -0.71 -0.06 0.00 0.00 0.00 0.00 51.96 51.66 1rkj s ALA 99 Cb 0.26 -1.08 0.01 0.00 0.00 0.00 0.00 23.12 22.31 1rkj s ALA 99 CO -0.13 -0.82 0.11 0.54 0.00 0.00 0.00 175.76 175.46 1rkj n ARG 100 N 4.94 -0.86 -3.99 0.00 1.74 -1.26 -4.84 116.66 112.41 1rkj n ARG 100 Ca -0.11 -0.04 -0.09 0.00 -0.77 0.00 0.00 57.85 56.84 1rkj n ARG 100 Cb 0.48 -1.51 -0.11 0.00 -1.02 0.00 0.00 32.46 30.30 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 -3.88 0.13 0.03 0.55 -1.32 -0.83 -2.04 115.64 108.29 1rkj s THR 101 Ca 0.08 -0.94 0.09 0.00 -1.21 0.00 0.00 61.69 59.70 1rkj s THR 101 Cb -0.05 -0.31 -0.03 0.00 -1.51 0.00 0.00 72.50 70.60 1rkj s THR 101 CO 0.51 -0.51 -0.25 -0.22 -2.21 0.00 0.00 174.62 171.94 1rkj s LEU 102 N -1.51 2.19 0.05 9.08 0.20 -0.57 0.24 118.68 128.36 1rkj s LEU 102 Ca -0.15 -0.55 -0.01 0.00 0.69 0.00 0.00 54.13 54.11 1rkj s LEU 102 Cb -0.09 -1.32 -0.04 0.00 -0.43 0.00 0.00 46.19 44.30 1rkj s LEU 102 CO -0.01 0.27 0.22 -0.22 -0.29 0.00 0.00 176.35 176.32 1rkj s LEU 103 N -1.12 4.36 -0.07 -0.68 2.96 -0.54 0.16 118.68 123.74 1rkj s LEU 103 Ca 0.12 0.31 0.04 0.00 -0.22 0.00 0.00 54.13 54.38 1rkj s LEU 103 Cb -0.10 -2.90 -0.01 0.00 0.50 0.00 0.00 46.19 43.68 1rkj s LEU 103 CO 0.02 0.18 -0.21 0.00 -1.32 0.00 0.00 176.35 175.02 1rkj s ALA 104 N -1.47 2.34 -0.12 5.97 0.00 0.13 -0.56 121.76 128.05 1rkj s ALA 104 Ca 0.34 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1rkj s ALA 104 Cb -0.13 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 1rkj s ALA 104 CO 0.26 0.40 -0.15 0.21 0.00 0.00 0.00 175.76 176.48 1rkj s LYS 105 N -0.14 3.31 0.00 0.00 2.20 0.24 0.71 119.74 126.06 1rkj s LYS 105 Ca -0.03 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 1rkj s LYS 105 Cb -0.14 -2.56 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 1rkj s LYS 105 CO 0.04 0.21 0.00 -1.71 -0.36 0.00 0.00 175.35 173.53 1rkj n ASN 106 N 3.51 -1.02 -0.09 1.43 5.15 -0.15 -1.01 115.26 123.07 1rkj n ASN 106 Ca -0.18 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 53.57 1rkj n ASN 106 Cb 0.53 -0.51 -0.12 0.00 -0.53 0.00 0.00 39.78 39.15 1rkj n ASN 106 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1rkj n LEU 107 N 0.00 2.32 -0.05 1.20 7.94 0.11 -4.74 117.00 123.78 1rkj n LEU 107 Ca 0.00 0.23 0.00 0.00 -1.11 0.00 0.00 56.01 55.13 1rkj n LEU 107 Cb 0.00 -0.95 0.00 0.00 0.53 0.00 0.00 43.42 43.00 1rkj n LEU 107 CO 0.00 0.64 0.00 -0.24 -1.11 0.00 0.00 177.39 176.68 1rkj n SER 108 N -3.90 -0.62 -3.36 1.96 2.88 -1.26 -2.96 113.62 106.36 1rkj n SER 108 Ca -0.42 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 56.87 1rkj n SER 108 Cb 0.89 -0.26 -0.05 0.00 -0.75 0.00 0.00 64.21 64.04 1rkj n SER 108 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1rkj n PHE 109 N -2.34 -0.92 0.12 0.66 -1.74 -1.26 -4.23 117.46 107.74 1rkj n PHE 109 Ca 0.00 0.40 0.00 0.00 -0.56 0.00 0.00 57.45 57.29 1rkj n PHE 109 Cb 0.26 -1.21 0.00 0.00 1.52 0.00 0.00 39.48 40.05 1rkj n PHE 109 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1rkj n ASN 110 N -1.43 -1.90 -4.04 5.98 5.15 -1.26 -5.14 115.26 112.62 1rkj n ASN 110 Ca 0.07 0.44 -0.36 0.00 -0.60 0.00 0.00 54.58 54.13 1rkj n ASN 110 Cb 0.32 1.98 0.05 0.00 -0.53 0.00 0.00 39.78 41.61 1rkj n ASN 110 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1rkj n ILE 111 N -2.99 0.00 -3.98 -1.44 2.08 -1.16 -5.00 119.36 106.87 1rkj n ILE 111 Ca 0.00 -0.36 0.02 0.00 0.56 0.00 0.00 62.75 62.97 1rkj n ILE 111 Cb 0.00 -0.07 0.01 0.00 -0.75 0.00 0.00 39.64 38.83 1rkj n ILE 111 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 1rkj n THR 112 N -2.87 0.00 -0.29 1.39 -1.04 -1.26 -4.96 114.28 105.25 1rkj n THR 112 Ca -0.01 -0.12 0.25 0.00 -2.04 0.00 0.00 64.05 62.12 1rkj n THR 112 Cb 0.60 0.46 0.42 0.00 -1.82 0.00 0.00 70.33 69.99 1rkj n THR 112 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1rkj n GLU 113 N -0.75 -0.02 0.00 -2.82 1.02 -1.26 -0.07 120.64 116.73 1rkj n GLU 113 Ca 0.04 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 1rkj n GLU 113 Cb 0.47 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 1rkj n GLU 113 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1rkj n ASP 114 N -3.92 0.00 -0.07 1.62 8.00 -1.26 0.26 116.55 121.17 1rkj n ASP 114 Ca 0.25 0.87 -0.07 0.00 0.71 0.00 0.00 54.79 56.55 1rkj n ASP 114 Cb 0.96 -0.37 0.10 0.00 -0.02 0.00 0.00 41.12 41.79 1rkj n ASP 114 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1rkj h GLU 115 N 0.00 0.74 0.00 -1.24 5.08 -1.14 -1.54 114.58 116.48 1rkj h GLU 115 Ca 0.00 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1rkj h GLU 115 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1rkj h GLU 115 CO 0.00 0.90 0.00 1.28 -1.00 0.00 0.00 179.01 180.19 1rkj n LEU 116 N -4.11 0.00 -0.27 1.33 7.99 0.89 -0.86 117.00 121.98 1rkj n LEU 116 Ca -0.00 0.69 0.25 0.00 -0.01 0.00 0.00 56.01 56.94 1rkj n LEU 116 Cb 0.44 -0.19 0.60 0.00 -0.11 0.00 0.00 43.42 44.16 1rkj n LEU 116 CO 0.44 -0.19 1.25 0.50 -1.51 0.00 0.00 177.39 177.88 1rkj h LYS 117 N 0.00 0.23 -0.31 3.23 3.64 -0.30 0.81 116.57 123.88 1rkj h LYS 117 Ca 0.00 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1rkj h LYS 117 Cb 0.00 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1rkj h LYS 117 CO 0.00 0.15 0.21 1.49 -2.27 0.00 0.00 179.45 179.04 1rkj h GLU 118 N 0.24 0.13 0.06 1.90 4.81 -0.67 -1.39 114.58 119.65 1rkj h GLU 118 Ca 0.51 -0.01 -0.30 0.00 -0.13 0.00 0.00 59.36 59.44 1rkj h GLU 118 Cb 1.59 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.91 1rkj h GLU 118 CO -0.15 0.08 -1.63 0.28 -0.73 0.00 0.00 179.01 176.86 1rkj h VAL 119 N 0.13 0.99 -2.82 0.32 2.07 0.26 -3.42 116.25 113.78 1rkj h VAL 119 Ca 0.14 -2.74 -0.60 0.00 0.82 0.00 0.00 66.70 64.32 1rkj h VAL 119 Cb 0.40 2.58 -0.40 0.00 -1.52 0.00 0.00 31.29 32.35 1rkj h VAL 119 CO -0.02 0.71 -0.78 0.72 0.02 0.00 0.00 177.57 178.22 1rkj s PHE 120 N -2.61 1.54 0.00 1.57 -0.12 -0.61 -4.84 117.98 112.91 1rkj s PHE 120 Ca -0.09 -2.17 -0.04 0.00 -0.05 0.00 0.00 56.93 54.59 1rkj s PHE 120 Cb 0.08 -1.52 -0.02 0.00 -0.63 0.00 0.00 43.02 40.92 1rkj s PHE 120 CO 0.82 -0.80 0.79 1.49 -0.05 0.00 0.00 175.22 177.48 1rkj h GLU 121 N 6.73 -0.14 -1.17 1.99 4.81 -1.61 -3.10 114.58 122.09 1rkj h GLU 121 Ca 0.03 0.01 0.39 0.00 -0.13 0.00 0.00 59.36 59.66 1rkj h GLU 121 Cb 0.94 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 30.25 1rkj h GLU 121 CO 0.41 -0.10 0.78 -0.40 -0.73 0.00 0.00 179.01 178.97 1rkj n ASP 122 N -2.51 0.13 -3.71 1.04 5.75 -1.26 -4.54 116.55 111.45 1rkj n ASP 122 Ca -0.02 1.01 -0.51 0.00 -0.01 0.00 0.00 54.79 55.26 1rkj n ASP 122 Cb 0.06 -0.50 -0.07 0.00 -1.03 0.00 0.00 41.12 39.58 1rkj n ASP 122 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1rkj n ALA 123 N -2.58 -2.04 -0.08 2.12 0.00 -1.17 -4.89 120.51 111.87 1rkj n ALA 123 Ca 0.32 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.20 1rkj n ALA 123 Cb 1.29 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 2.22 0.18 -4.88 0.00 4.77 -0.14 -4.87 117.00 114.29 1rkj n LEU 124 Ca 0.21 0.59 -0.36 0.00 -0.03 0.00 0.00 56.01 56.41 1rkj n LEU 124 Cb 0.01 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 40.58 1rkj n LEU 124 CO 0.61 -0.46 -0.12 -0.70 -1.33 0.00 0.00 177.39 175.38 1rkj s GLU 125 N -1.42 3.51 -0.34 3.23 2.12 -0.73 -4.98 118.70 120.09 1rkj s GLU 125 Ca 0.00 -0.10 0.04 0.00 0.36 0.00 0.00 54.97 55.27 1rkj s GLU 125 Cb 0.00 -3.16 0.10 0.00 0.26 0.00 0.00 34.13 31.33 1rkj s GLU 125 CO 0.00 0.73 0.05 0.42 -0.54 0.00 0.00 175.26 175.92 1rkj s ILE 126 N -1.13 2.31 0.54 -3.70 1.01 -1.26 -1.55 121.20 117.43 1rkj s ILE 126 Ca 0.20 -2.29 0.09 0.00 0.00 0.00 0.00 60.65 58.65 1rkj s ILE 126 Cb -0.13 -2.68 0.07 0.00 0.01 0.00 0.00 42.46 39.73 1rkj s ILE 126 CO 0.09 -0.56 0.71 -0.13 0.00 0.00 0.00 174.94 175.05 1rkj s ARG 127 N 0.92 2.40 -0.27 2.79 0.52 -0.09 -5.00 118.95 120.22 1rkj s ARG 127 Ca 0.10 -1.60 -0.25 0.00 -0.52 0.00 0.00 55.73 53.46 1rkj s ARG 127 Cb -0.19 -2.62 0.08 0.00 0.52 0.00 0.00 34.95 32.73 1rkj s ARG 127 CO -0.08 -0.72 0.75 -0.51 0.02 0.00 0.00 175.30 174.76 1rkj s LEU 128 N -4.57 -0.72 0.11 2.53 1.43 -1.26 -1.85 118.68 114.35 1rkj s LEU 128 Ca 0.58 1.39 0.04 0.00 -1.03 0.00 0.00 54.13 55.11 1rkj s LEU 128 Cb -0.06 2.40 -0.04 0.00 0.03 0.00 0.00 46.19 48.52 1rkj s LEU 128 CO 0.36 -0.24 0.11 -0.69 0.23 0.00 0.00 176.35 176.12 1rkj s VAL 129 N 0.40 4.56 0.00 -1.59 1.01 0.18 -4.84 120.40 120.12 1rkj s VAL 129 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1rkj s VAL 129 Cb -0.05 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1rkj s VAL 129 CO -0.00 0.05 0.00 -1.54 0.00 0.00 0.00 175.10 173.61 1rkj n SER 130 N 0.18 0.00 -3.18 3.32 3.41 -1.26 -1.84 113.62 114.26 1rkj n SER 130 Ca -0.08 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.31 1rkj n SER 130 Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.41 1rkj n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rkj n GLN 131 N 0.00 0.50 0.00 4.33 6.02 -1.26 -4.85 117.38 122.12 1rkj n GLN 131 Ca 0.00 -2.93 0.00 0.00 -0.01 0.00 0.00 57.00 54.06 1rkj n GLN 131 Cb 0.00 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 29.83 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 2.11 1.37 0.00 1.08 8.00 -1.26 -4.98 116.55 122.88 1rkj n ASP 132 Ca 0.23 -1.59 0.00 0.00 0.71 0.00 0.00 54.79 54.13 1rkj n ASP 132 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 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 -0.30 1.66 2.71 0.44 0.00 -1.26 -4.80 105.19 103.64 1rkj n GLY 133 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1rkj n GLY 133 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rkj n LYS 134 N -2.00 1.30 -0.02 1.61 0.00 -1.26 -5.14 118.16 112.65 1rkj n LYS 134 Ca 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 58.31 55.87 1rkj n LYS 134 Cb 0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 35.03 34.43 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 -0.61 -5.63 0.00 3.14 7.64 -1.26 -5.00 113.62 111.90 1rkj n SER 135 Ca -0.00 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1rkj n SER 135 Cb 0.84 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 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 -1.90 0.00 -3.67 1.43 4.76 -1.26 -4.34 118.16 113.18 1rkj n LYS 136 Ca 0.00 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.20 1rkj n LYS 136 Cb 0.01 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.21 1rkj n LYS 136 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1rkj n GLY 137 N 0.00 -1.19 3.30 0.72 0.00 -1.26 -4.67 105.19 102.09 1rkj n GLY 137 Ca 0.00 0.52 -0.16 0.00 0.00 0.00 0.00 46.02 46.38 1rkj n GLY 137 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rkj s ILE 138 N -3.13 1.16 0.35 -0.61 -4.36 -0.76 0.04 121.20 113.87 1rkj s ILE 138 Ca 0.14 -2.06 0.03 0.00 -0.26 0.00 0.00 60.65 58.50 1rkj s ILE 138 Cb -0.06 -2.14 -0.05 0.00 1.25 0.00 0.00 42.46 41.46 1rkj s ILE 138 CO 0.87 -0.50 0.09 0.00 0.24 0.00 0.00 174.94 175.64 1rkj s ALA 139 N -3.34 2.47 -0.03 2.27 0.00 0.22 0.47 121.76 123.82 1rkj s ALA 139 Ca 0.24 -1.72 -0.20 0.00 0.00 0.00 0.00 51.96 50.28 1rkj s ALA 139 Cb 0.04 0.76 0.04 0.00 0.00 0.00 0.00 23.12 23.96 1rkj s ALA 139 CO 0.06 -0.35 0.43 0.71 0.00 0.00 0.00 175.76 176.61 1rkj s TYR 140 N -3.34 -0.34 0.10 0.00 2.02 -0.77 0.20 117.35 115.22 1rkj s TYR 140 Ca 0.32 0.57 -0.00 0.00 -0.37 0.00 0.00 57.07 57.58 1rkj s TYR 140 Cb 0.06 0.20 -0.04 0.00 -0.40 0.00 0.00 41.96 41.78 1rkj s TYR 140 CO 0.15 -0.45 0.00 0.42 -1.57 0.00 0.00 175.55 174.10 1rkj s ILE 141 N -1.22 0.26 -0.12 2.71 1.09 0.12 -0.91 121.20 123.14 1rkj s ILE 141 Ca -0.12 -1.88 -0.07 0.00 -1.10 0.00 0.00 60.65 57.48 1rkj s ILE 141 Cb -0.04 -1.79 0.05 0.00 -1.06 0.00 0.00 42.46 39.62 1rkj s ILE 141 CO 0.06 -0.74 0.28 -0.70 -0.10 0.00 0.00 174.94 173.74 1rkj s GLU 142 N -3.96 0.26 0.00 2.79 2.12 -0.60 -1.51 118.70 117.81 1rkj s GLU 142 Ca 0.16 0.55 0.00 0.00 0.36 0.00 0.00 54.97 56.04 1rkj s GLU 142 Cb 0.07 -0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.41 1rkj s GLU 142 CO -0.04 -0.14 0.00 1.19 -0.54 0.00 0.00 175.26 175.73 1rkj n PHE 143 N 4.02 0.00 -0.03 5.30 3.01 -0.86 -0.97 117.46 127.93 1rkj n PHE 143 Ca -0.23 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.23 1rkj n PHE 143 Cb 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 1rkj n PHE 143 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1rkj n LYS 144 N 0.00 4.15 -3.81 -1.08 0.00 -1.26 -4.79 118.16 111.37 1rkj n LYS 144 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 58.31 58.12 1rkj n LYS 144 Cb 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 35.03 34.41 1rkj n LYS 144 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1rkj s SER 145 N -0.63 -0.19 0.36 3.14 1.04 -1.26 -4.99 113.70 111.18 1rkj s SER 145 Ca 0.00 -0.56 0.27 0.00 0.48 0.00 0.00 55.95 56.14 1rkj s SER 145 Cb 0.00 0.62 1.05 0.00 0.10 0.00 0.00 66.02 67.79 1rkj s SER 145 CO 0.00 -1.16 1.80 1.05 0.98 0.00 0.00 173.24 175.92 1rkj h GLU 146 N 2.00 0.00 0.76 4.02 4.11 -1.97 -3.23 114.58 120.27 1rkj h GLU 146 Ca -0.23 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.17 1rkj h GLU 146 Cb 1.24 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.50 1rkj h GLU 146 CO 0.26 0.00 -0.36 0.00 0.07 0.00 0.00 179.01 178.98 1rkj h ALA 147 N 2.19 -1.05 -0.89 1.06 0.00 -1.99 -0.39 119.26 118.19 1rkj h ALA 147 Ca 0.00 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.81 1rkj h ALA 147 Cb 0.50 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 1rkj h ALA 147 CO 0.00 -0.97 0.57 -0.44 0.00 0.00 0.00 179.25 178.41 1rkj h ASP 148 N -1.23 0.72 -0.63 0.00 5.19 -1.98 0.16 116.42 118.65 1rkj h ASP 148 Ca -0.10 0.03 -0.09 0.00 -0.62 0.00 0.00 57.03 56.25 1rkj h ASP 148 Cb 0.78 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 1rkj h ASP 148 CO 0.17 0.39 0.03 0.00 -3.12 0.00 0.00 179.24 176.71 1rkj h ALA 149 N 1.58 0.85 0.32 3.45 0.00 -1.56 -2.34 119.26 121.57 1rkj h ALA 149 Ca 0.43 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1rkj h ALA 149 Cb 0.57 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1rkj h ALA 149 CO -0.19 0.67 -0.15 1.49 0.00 0.00 0.00 179.25 181.07 1rkj h GLU 150 N 1.00 -0.41 -0.43 0.00 4.81 0.51 -1.79 114.58 118.28 1rkj h GLU 150 Ca 0.18 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.49 1rkj h GLU 150 Cb 0.53 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.92 1rkj h GLU 150 CO 0.03 -0.11 -0.56 -0.22 -0.73 0.00 0.00 179.01 177.42 1rkj h LYS 151 N -0.99 -0.37 -0.80 1.92 3.64 -0.81 0.68 116.57 119.84 1rkj h LYS 151 Ca -0.04 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.44 1rkj h LYS 151 Cb 0.49 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.33 1rkj h LYS 151 CO 0.07 -0.25 0.46 -0.91 -2.27 0.00 0.00 179.45 176.56 1rkj h ASN 152 N -0.39 0.69 -0.08 4.20 2.35 -1.54 0.12 115.58 120.93 1rkj h ASN 152 Ca 0.08 0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.88 1rkj h ASN 152 Cb 0.59 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 1rkj h ASN 152 CO -0.61 0.42 0.13 0.25 -1.65 0.00 0.00 177.43 175.97 1rkj h LEU 153 N 0.82 0.00 0.00 1.61 5.85 -0.03 0.70 115.31 124.26 1rkj h LEU 153 Ca 0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.09 1rkj h LEU 153 Cb 0.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1rkj h LEU 153 CO -0.21 0.00 0.00 -0.62 -0.34 0.00 0.00 178.44 177.27 1rkj n GLU 154 N -3.57 0.00 0.02 1.25 1.02 0.34 -3.38 120.64 116.32 1rkj n GLU 154 Ca -0.01 0.22 -0.13 0.00 -0.02 0.00 0.00 57.16 57.22 1rkj n GLU 154 Cb 0.22 -0.67 -0.07 0.00 -0.02 0.00 0.00 31.44 30.91 1rkj n GLU 154 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1rkj h GLU 155 N 0.00 -0.51 0.00 3.49 5.08 -1.35 0.32 114.58 121.61 1rkj h GLU 155 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1rkj h GLU 155 Cb 0.00 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1rkj h GLU 155 CO 0.00 -0.34 0.05 0.87 -1.00 0.00 0.00 179.01 178.59 1rkj h LYS 156 N -0.53 0.00 -5.25 2.33 1.79 -1.06 -3.40 116.57 110.44 1rkj h LYS 156 Ca 0.06 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.49 1rkj h LYS 156 Cb 0.64 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.28 1rkj h LYS 156 CO -0.38 0.00 0.25 0.94 -1.08 0.00 0.00 179.45 179.19 1rkj n GLN 157 N -2.33 0.41 0.00 3.15 -0.06 0.11 -0.87 117.38 117.79 1rkj n GLN 157 Ca -0.02 -0.88 0.00 0.00 -2.00 0.00 0.00 57.00 54.11 1rkj n GLN 157 Cb 0.09 -3.38 0.00 0.00 -4.06 0.00 0.00 30.24 22.89 1rkj n GLN 157 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1rkj n GLY 158 N 6.51 -0.11 3.48 1.69 0.00 -1.26 -5.01 105.19 110.48 1rkj n GLY 158 Ca 0.47 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.06 1rkj n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rkj n ALA 159 N 0.00 0.53 -0.10 4.61 0.00 -0.05 -4.64 120.51 120.86 1rkj n ALA 159 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1rkj n ALA 159 Cb 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 16.93 1rkj n ALA 159 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1rkj n GLU 160 N 8.47 0.00 -3.38 0.00 2.13 -1.26 0.17 120.64 126.77 1rkj n GLU 160 Ca 0.54 0.70 -0.33 0.00 0.66 0.00 0.00 57.16 58.73 1rkj n GLU 160 Cb 0.18 -1.08 0.03 0.00 0.27 0.00 0.00 31.44 30.85 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 -2.50 -5.28 0.00 6.31 5.41 -1.26 0.12 119.36 122.16 1rkj n ILE 161 Ca 0.00 0.25 0.00 0.00 1.00 0.00 0.00 62.75 64.00 1rkj n ILE 161 Cb 0.00 -4.26 0.00 0.00 -0.71 0.00 0.00 39.64 34.67 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 -0.17 0.00 0.00 4.38 5.75 -1.26 -4.19 116.55 121.06 1rkj n ASP 162 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 1rkj n ASP 162 Cb 0.64 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 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 -2.00 2.36 0.31 6.12 0.00 -1.04 -4.90 105.19 106.03 1rkj n GLY 163 Ca 0.00 -0.70 0.18 0.00 0.00 0.00 0.00 46.02 45.50 1rkj n GLY 163 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1rkj h ARG 164 N 0.00 0.00 -2.67 1.61 2.43 -1.72 -3.47 114.38 110.57 1rkj h ARG 164 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1rkj h ARG 164 Cb 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1rkj h ARG 164 CO 0.00 0.01 -0.05 -1.13 -1.51 0.00 0.00 179.97 177.29 1rkj n SER 165 N -3.48 -2.14 0.00 -3.80 3.41 0.33 -4.83 113.62 103.10 1rkj n SER 165 Ca -0.03 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1rkj n SER 165 Cb 0.10 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 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 -1.40 0.00 -3.27 -3.33 3.14 0.13 -4.29 118.33 109.30 1rkj n VAL 166 Ca -0.01 0.00 -0.44 0.00 -2.96 0.00 0.00 64.34 60.93 1rkj n VAL 166 Cb 0.51 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.22 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 0.00 6.19 0.02 6.55 0.01 -0.18 -4.33 113.70 121.96 1rkj s SER 167 Ca 0.00 -0.96 -0.04 0.00 1.31 0.00 0.00 55.95 56.26 1rkj s SER 167 Cb 0.00 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 1rkj s SER 167 CO 0.00 -0.73 0.23 -1.48 0.41 0.00 0.00 173.24 171.68 1rkj s LEU 168 N 2.19 4.36 0.23 2.44 0.05 -1.26 0.82 118.68 127.51 1rkj s LEU 168 Ca 0.11 0.44 0.00 0.00 0.05 0.00 0.00 54.13 54.73 1rkj s LEU 168 Cb -0.20 -2.73 -0.05 0.00 -2.05 0.00 0.00 46.19 41.17 1rkj s LEU 168 CO 0.11 0.23 0.11 -0.31 -0.55 0.00 0.00 176.35 175.94 1rkj s TYR 169 N -1.36 1.36 -0.19 3.48 1.51 0.28 -4.98 117.35 117.45 1rkj s TYR 169 Ca 0.29 -1.27 -0.11 0.00 -1.01 0.00 0.00 57.07 54.97 1rkj s TYR 169 Cb -0.13 -0.74 -0.05 0.00 -0.11 0.00 0.00 41.96 40.93 1rkj s TYR 169 CO 0.19 -0.47 0.18 1.52 -1.11 0.00 0.00 175.55 175.86 1rkj s TYR 170 N -3.94 3.43 -0.12 2.71 -0.85 -1.26 -1.47 117.35 115.85 1rkj s TYR 170 Ca 0.38 0.42 0.03 0.00 -0.52 0.00 0.00 57.07 57.37 1rkj s TYR 170 Cb 0.07 -2.21 0.01 0.00 0.38 0.00 0.00 41.96 40.21 1rkj s TYR 170 CO 0.13 0.29 -0.21 0.95 -1.52 0.00 0.00 175.55 175.18 1rkj s THR 171 N 0.35 1.95 0.00 -3.49 -4.23 0.14 -4.84 115.64 105.51 1rkj s THR 171 Ca 0.11 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 1rkj s THR 171 Cb -0.12 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 72.01 1rkj s THR 171 CO -0.00 0.53 0.00 0.61 -0.54 0.00 0.00 174.62 175.22 1rkj n GLY 172 N 3.91 2.79 0.00 3.99 0.00 -1.25 -1.97 105.19 112.66 1rkj n GLY 172 Ca -0.20 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 1.58 0.00 -1.78 1.61 4.07 -1.22 -4.75 120.64 120.15 1rkj n GLU 173 Ca 0.00 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.01 1rkj n GLU 173 Cb 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.36 1rkj n GLU 173 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1rkj n LYS 174 N -0.24 -0.65 -0.67 5.31 0.00 -1.26 -5.09 118.16 115.56 1rkj n LYS 174 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 58.31 58.89 1rkj n LYS 174 Cb 0.00 -4.51 0.00 0.00 0.00 0.00 0.00 35.03 30.52 1rkj n LYS 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81