#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rkj s SER 2 N 0.00 3.60 -0.28 1.61 0.01 -1.26 -4.96 113.70 112.42 1rkj s SER 2 Ca 0.00 -2.26 0.08 0.00 1.31 0.00 0.00 55.95 55.07 1rkj s SER 2 Cb 0.00 -0.84 0.46 0.00 0.21 0.00 0.00 66.02 65.84 1rkj s SER 2 CO 0.00 -0.32 1.19 0.00 0.41 0.00 0.00 173.24 174.53 1rkj n HIS 3 N 4.00 2.45 -1.53 2.43 -0.00 -1.26 -5.00 115.22 116.32 1rkj n HIS 3 Ca 0.06 -2.15 -0.14 0.00 -0.00 0.00 0.00 57.72 55.50 1rkj n HIS 3 Cb 0.37 -0.33 -0.10 0.00 -0.00 0.00 0.00 29.99 29.93 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 -0.74 0.35 -3.43 -1.40 -0.00 -1.26 -4.88 117.12 105.75 1rkj n MET 4 Ca 0.41 -0.86 -0.37 0.00 -0.00 0.00 0.00 57.70 56.87 1rkj n MET 4 Cb 0.94 -3.21 -0.07 0.00 -0.00 0.00 0.00 33.22 30.88 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 12.46 5.25 -0.16 3.17 0.11 -1.26 -4.66 120.40 135.31 1rkj s VAL 5 Ca 0.92 0.71 -0.14 0.00 -2.93 0.00 0.00 61.98 60.53 1rkj s VAL 5 Cb -0.21 -3.71 0.02 0.00 -1.53 0.00 0.00 36.38 30.95 1rkj s VAL 5 CO 0.17 0.34 0.24 -1.84 -3.33 0.00 0.00 175.10 170.68 1rkj n GLU 6 N 3.81 -0.84 0.08 1.54 0.28 -1.26 -4.81 120.64 119.44 1rkj n GLU 6 Ca -0.10 0.97 0.12 0.00 -0.16 0.00 0.00 57.16 57.99 1rkj n GLU 6 Cb 0.52 -1.31 0.45 0.00 1.43 0.00 0.00 31.44 32.53 1rkj n GLU 6 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1rkj n GLY 7 N 0.74 -1.38 3.05 -1.84 0.00 -1.26 -4.89 105.19 99.62 1rkj n GLY 7 Ca -0.03 0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1rkj n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rkj n SER 8 N -2.03 -4.54 0.00 1.61 7.64 -1.26 -4.66 113.62 110.38 1rkj n SER 8 Ca 0.04 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1rkj n SER 8 Cb 0.29 -3.74 0.00 0.00 -1.01 0.00 0.00 64.21 59.75 1rkj n SER 8 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1rkj n GLU 9 N -3.62 0.00 -0.05 1.43 4.07 -1.26 -5.07 120.64 116.15 1rkj n GLU 9 Ca -0.08 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 56.94 1rkj n GLU 9 Cb 0.58 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.94 1rkj n GLU 9 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1rkj n SER 10 N -0.40 1.56 -2.02 4.31 7.64 -1.26 -4.97 113.62 118.48 1rkj n SER 10 Ca 0.00 0.25 -0.09 0.00 1.01 0.00 0.00 58.87 60.04 1rkj n SER 10 Cb 0.00 -0.57 -0.02 0.00 -1.01 0.00 0.00 64.21 62.61 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 -4.04 -0.26 0.00 0.44 5.66 -1.26 -4.36 114.28 110.46 1rkj n THR 11 Ca -0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1rkj n THR 11 Cb 0.40 -1.07 0.00 0.00 -1.55 0.00 0.00 70.33 68.11 1rkj n THR 11 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1rkj n THR 12 N -2.55 -0.49 -0.06 1.09 5.66 -1.26 -4.83 114.28 111.85 1rkj n THR 12 Ca -0.10 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.79 1rkj n THR 12 Cb 0.47 -0.29 -0.05 0.00 -1.55 0.00 0.00 70.33 68.91 1rkj n THR 12 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 1rkj h PRO 13 N 0.00 0.33 -2.03 1.09 0.11 -1.88 -3.44 132.00 126.18 1rkj h PRO 13 Ca 0.00 -0.11 -0.14 0.00 0.11 0.00 0.00 66.00 65.86 1rkj h PRO 13 Cb 0.00 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.03 1rkj h PRO 13 CO 0.00 0.54 0.81 1.19 -0.21 0.00 0.00 178.00 180.33 1rkj n PHE 14 N -4.71 0.00 -5.21 0.65 3.72 -1.26 -4.83 117.46 105.83 1rkj n PHE 14 Ca -0.05 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.04 1rkj n PHE 14 Cb 0.23 -0.20 -0.17 0.00 -0.94 0.00 0.00 39.48 38.40 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 0.00 3.16 0.18 4.37 4.22 -1.26 0.57 114.94 126.17 1rkj s ASN 15 Ca 0.51 -0.52 0.07 0.00 -2.14 0.00 0.00 52.86 50.79 1rkj s ASN 15 Cb -0.33 -1.17 -0.04 0.00 1.28 0.00 0.00 41.25 40.99 1rkj s ASN 15 CO 0.22 0.20 -0.15 -0.76 -2.04 0.00 0.00 177.10 174.57 1rkj s LEU 16 N 0.11 2.51 0.00 3.54 1.02 0.11 -3.79 118.68 122.18 1rkj s LEU 16 Ca -0.11 -0.97 0.02 0.00 0.02 0.00 0.00 54.13 53.09 1rkj s LEU 16 Cb -0.16 -0.65 -0.04 0.00 0.02 0.00 0.00 46.19 45.36 1rkj s LEU 16 CO 0.06 -0.16 -0.01 0.12 0.02 0.00 0.00 176.35 176.38 1rkj s PHE 17 N -2.74 3.03 -0.16 0.29 2.19 0.13 -1.78 117.98 118.95 1rkj s PHE 17 Ca 0.19 0.05 -0.02 0.00 0.33 0.00 0.00 56.93 57.48 1rkj s PHE 17 Cb -0.02 -1.65 0.05 0.00 -1.31 0.00 0.00 43.02 40.09 1rkj s PHE 17 CO 0.06 0.44 0.01 0.42 1.83 0.00 0.00 175.22 177.98 1rkj s ILE 18 N -1.07 0.63 0.43 3.12 1.01 0.13 -0.24 121.20 125.20 1rkj s ILE 18 Ca 0.19 -0.42 0.06 0.00 0.00 0.00 0.00 60.65 60.48 1rkj s ILE 18 Cb -0.11 -0.98 -0.07 0.00 0.01 0.00 0.00 42.46 41.31 1rkj s ILE 18 CO 0.10 -0.03 0.01 -0.83 0.00 0.00 0.00 174.94 174.19 1rkj s GLY 19 N 1.83 2.59 -0.81 6.18 0.00 -0.63 -1.22 107.32 115.27 1rkj s GLY 19 Ca 0.01 -1.99 -0.02 0.00 0.00 0.00 0.00 44.72 42.72 1rkj s GLY 19 CO -0.07 -2.11 0.72 -2.01 0.00 0.00 0.00 173.10 169.62 1rkj n ASN 20 N -1.02 -7.14 -0.07 1.64 5.15 -1.26 -1.49 115.26 111.08 1rkj n ASN 20 Ca -0.07 -0.32 -0.08 0.00 -0.60 0.00 0.00 54.58 53.51 1rkj n ASN 20 Cb 0.67 -4.69 -0.08 0.00 -0.53 0.00 0.00 39.78 35.15 1rkj n ASN 20 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1rkj n LEU 21 N -2.18 1.36 -3.55 1.20 4.32 -1.26 -3.68 117.00 113.21 1rkj n LEU 21 Ca -0.06 -0.04 -0.17 0.00 -0.02 0.00 0.00 56.01 55.73 1rkj n LEU 21 Cb 0.55 -0.08 -0.06 0.00 -1.62 0.00 0.00 43.42 42.20 1rkj n LEU 21 CO 0.56 0.50 0.45 0.54 -1.22 0.00 0.00 177.39 178.22 1rkj s ASN 22 N -4.91 -0.67 0.15 -1.43 6.03 -1.26 -4.50 114.94 108.35 1rkj s ASN 22 Ca -0.12 0.90 -0.16 0.00 -1.03 0.00 0.00 52.86 52.45 1rkj s ASN 22 Cb 0.04 0.78 0.01 0.00 -3.03 0.00 0.00 41.25 39.06 1rkj s ASN 22 CO 0.42 -0.50 1.77 -0.65 -2.03 0.00 0.00 177.10 176.11 1rkj h PRO 23 N 3.53 0.56 0.00 3.55 0.11 -2.01 -3.42 132.00 134.32 1rkj h PRO 23 Ca -0.27 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 1rkj h PRO 23 Cb 1.15 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1rkj h PRO 23 CO 0.29 0.43 -0.04 0.27 -0.21 0.00 0.00 178.00 178.74 1rkj n ASN 24 N -4.75 -0.14 -2.73 -2.05 6.94 -1.26 -5.14 115.26 106.13 1rkj n ASN 24 Ca 0.01 -0.29 0.00 0.00 -0.02 0.00 0.00 54.58 54.27 1rkj n ASN 24 Cb 0.06 0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 1rkj n ASN 24 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1rkj n LYS 25 N 0.00 0.14 -2.34 -3.83 5.02 -1.26 -4.89 118.16 111.00 1rkj n LYS 25 Ca -0.04 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.88 1rkj n LYS 25 Cb 0.29 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.27 1rkj n LYS 25 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1rkj s SER 26 N -1.28 5.86 0.18 4.39 1.04 -1.26 -4.87 113.70 117.76 1rkj s SER 26 Ca 0.00 -0.67 -0.21 0.00 0.48 0.00 0.00 55.95 55.55 1rkj s SER 26 Cb 0.00 -2.56 0.08 0.00 0.10 0.00 0.00 66.02 63.65 1rkj s SER 26 CO 0.00 -2.05 1.38 0.55 0.98 0.00 0.00 173.24 174.10 1rkj n VAL 27 N 7.04 -0.53 -0.25 5.02 3.14 -1.26 -0.04 118.33 131.45 1rkj n VAL 27 Ca 0.24 2.12 -0.00 0.00 -2.96 0.00 0.00 64.34 63.74 1rkj n VAL 27 Cb 0.50 -2.72 0.03 0.00 -1.06 0.00 0.00 33.84 30.59 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 -3.44 -0.07 0.08 1.55 0.00 -1.26 0.14 120.51 117.52 1rkj n ALA 28 Ca 0.06 0.64 -0.12 0.00 0.00 0.00 0.00 53.44 54.02 1rkj n ALA 28 Cb 0.30 -0.29 -0.05 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.39 -0.98 0.00 4.39 -0.86 -2.37 114.58 114.38 1rkj h GLU 29 Ca 0.23 0.03 0.12 0.00 0.34 0.00 0.00 59.36 60.07 1rkj h GLU 29 Cb 0.39 0.09 -0.14 0.00 -0.10 0.00 0.00 28.75 28.99 1rkj h GLU 29 CO -0.64 -0.26 -0.48 1.28 -1.16 0.00 0.00 179.01 177.76 1rkj n LEU 30 N -5.36 -0.83 -0.14 1.33 4.77 0.38 0.38 117.00 117.53 1rkj n LEU 30 Ca -0.06 1.72 -0.04 0.00 -0.03 0.00 0.00 56.01 57.60 1rkj n LEU 30 Cb 0.27 -0.31 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1rkj n LEU 30 CO 0.24 -1.47 0.72 0.11 -1.33 0.00 0.00 177.39 175.65 1rkj h LYS 31 N 0.00 -0.10 0.73 3.23 1.57 -0.92 -1.90 116.57 119.18 1rkj h LYS 31 Ca 0.25 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1rkj h LYS 31 Cb 0.49 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1rkj h LYS 31 CO -0.94 -0.07 -0.41 0.28 -0.57 0.00 0.00 179.45 177.74 1rkj h VAL 32 N -0.10 0.17 -0.82 0.50 2.07 0.37 0.70 116.25 119.13 1rkj h VAL 32 Ca 0.22 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.87 1rkj h VAL 32 Cb 0.44 0.17 -0.13 0.00 -1.52 0.00 0.00 31.29 30.25 1rkj h VAL 32 CO -0.53 0.00 -0.32 0.00 0.02 0.00 0.00 177.57 176.74 1rkj n ALA 33 N -2.62 -0.09 -0.27 1.67 0.00 0.14 0.29 120.51 119.62 1rkj n ALA 33 Ca -0.14 0.82 -0.06 0.00 0.00 0.00 0.00 53.44 54.06 1rkj n ALA 33 Cb 0.44 -0.38 0.06 0.00 0.00 0.00 0.00 19.45 19.57 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 1.25 0.00 0.00 2.04 -1.12 -1.88 117.51 117.80 1rkj h ILE 34 Ca 0.29 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1rkj h ILE 34 Cb 0.50 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1rkj h ILE 34 CO -0.82 0.31 0.00 -1.20 0.00 0.00 0.00 178.15 176.44 1rkj n SER 35 N -4.35 0.00 -0.38 1.72 7.64 0.83 0.21 113.62 119.29 1rkj n SER 35 Ca 0.06 0.61 0.32 0.00 1.01 0.00 0.00 58.87 60.87 1rkj n SER 35 Cb 0.16 -0.11 0.54 0.00 -1.01 0.00 0.00 64.21 63.79 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 -0.91 -0.03 0.06 1.43 1.02 0.15 0.21 120.64 122.58 1rkj n GLU 36 Ca 0.00 1.00 -0.13 0.00 -0.02 0.00 0.00 57.16 58.01 1rkj n GLU 36 Cb 0.00 -1.97 -0.09 0.00 -0.02 0.00 0.00 31.44 29.36 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 -0.15 -2.23 -4.62 7.12 -0.93 -2.36 115.31 112.14 1rkj h LEU 37 Ca 0.70 -0.32 0.00 0.00 0.13 0.00 0.00 57.88 58.40 1rkj h LEU 37 Cb 2.26 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 42.43 1rkj h LEU 37 CO -0.37 0.26 0.08 -0.26 -0.13 0.00 0.00 178.44 178.02 1rkj h PHE 38 N -0.59 0.00 0.00 1.25 0.04 0.68 0.23 116.94 118.55 1rkj h PHE 38 Ca -0.02 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 1rkj h PHE 38 Cb 0.46 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.61 1rkj h PHE 38 CO 0.05 0.00 -0.02 0.00 -0.60 0.00 0.00 178.31 177.74 1rkj h ALA 39 N 1.82 0.00 0.00 2.45 0.00 -0.87 -3.03 119.26 119.63 1rkj h ALA 39 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1rkj h ALA 39 Cb 0.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1rkj h ALA 39 CO 0.00 0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.89 1rkj n LYS 40 N -4.62 0.17 0.00 0.00 4.76 -0.69 -2.63 118.16 115.14 1rkj n LYS 40 Ca -0.10 0.11 0.14 0.00 -2.87 0.00 0.00 58.31 55.59 1rkj n LYS 40 Cb 0.45 -1.50 0.78 0.00 -1.84 0.00 0.00 35.03 32.92 1rkj n LYS 40 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1rkj n ASN 41 N -1.39 0.00 0.00 4.39 5.15 -0.02 -4.94 115.26 118.46 1rkj n ASN 41 Ca 0.08 -0.52 0.00 0.00 -0.60 0.00 0.00 54.58 53.54 1rkj n ASN 41 Cb 0.21 -0.14 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 1rkj n ASN 41 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1rkj n ASP 42 N -1.14 0.00 0.00 1.20 -0.08 -1.08 -4.78 116.55 110.67 1rkj n ASP 42 Ca 0.17 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.45 1rkj n ASP 42 Cb 0.16 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.62 1rkj n ASP 42 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1rkj n LEU 43 N 0.00 0.00 0.00 -2.67 -0.00 -1.26 -4.96 117.00 108.11 1rkj n LEU 43 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 1rkj n LEU 43 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1rkj n LEU 43 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 1rkj n ALA 44 N -2.31 0.00 -1.73 1.47 0.00 -1.15 -5.03 120.51 111.76 1rkj n ALA 44 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1rkj n ALA 44 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 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 0.00 2.08 -0.17 0.00 0.11 -1.26 -4.55 120.40 116.62 1rkj s VAL 45 Ca 0.00 0.05 0.05 0.00 -2.93 0.00 0.00 61.98 59.15 1rkj s VAL 45 Cb 0.00 -3.02 -0.13 0.00 -1.53 0.00 0.00 36.38 31.70 1rkj s VAL 45 CO 0.00 -0.01 -0.10 1.33 -3.33 0.00 0.00 175.10 172.99 1rkj n VAL 46 N -1.88 1.01 -4.38 2.04 0.24 -1.10 -4.95 118.33 109.31 1rkj n VAL 46 Ca 0.16 -0.45 -0.20 0.00 -2.04 0.00 0.00 64.34 61.81 1rkj n VAL 46 Cb 0.48 -0.99 -0.15 0.00 -1.47 0.00 0.00 33.84 31.71 1rkj n VAL 46 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1rkj s ASP 47 N -5.44 1.16 -0.32 -1.34 2.15 -0.96 -4.27 116.67 107.66 1rkj s ASP 47 Ca -0.19 -0.18 -0.01 0.00 0.43 0.00 0.00 52.55 52.60 1rkj s ASP 47 Cb 0.06 -0.25 0.13 0.00 -0.30 0.00 0.00 42.92 42.55 1rkj s ASP 47 CO 0.46 0.08 0.20 -0.69 -0.17 0.00 0.00 175.17 175.05 1rkj s VAL 48 N 0.06 -0.04 0.10 1.11 1.01 -1.26 -0.88 120.40 120.51 1rkj s VAL 48 Ca -0.01 -1.16 0.09 0.00 0.00 0.00 0.00 61.98 60.90 1rkj s VAL 48 Cb -0.07 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1rkj s VAL 48 CO 0.00 -0.81 -0.20 -0.13 0.00 0.00 0.00 175.10 173.96 1rkj s ARG 49 N 1.62 1.76 0.49 2.72 3.00 0.20 -5.01 118.95 123.74 1rkj s ARG 49 Ca 0.14 -1.17 0.07 0.00 0.00 0.00 0.00 55.73 54.76 1rkj s ARG 49 Cb -0.19 -2.08 0.01 0.00 0.00 0.00 0.00 34.95 32.69 1rkj s ARG 49 CO -0.17 0.49 0.40 0.95 0.00 0.00 0.00 175.30 176.97 1rkj s THR 50 N -1.08 2.13 -0.32 0.02 -4.23 -1.26 0.22 115.64 111.13 1rkj s THR 50 Ca 0.16 -1.42 -0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1rkj s THR 50 Cb -0.10 -2.55 0.10 0.00 1.34 0.00 0.00 72.50 71.29 1rkj s THR 50 CO 0.08 0.00 0.11 -0.83 -0.54 0.00 0.00 174.62 173.44 1rkj s GLY 51 N -4.22 1.13 0.56 3.99 0.00 0.16 -4.73 107.32 104.21 1rkj s GLY 51 Ca 0.42 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.38 1rkj s GLY 51 CO 0.25 1.60 0.00 2.41 0.00 0.00 0.00 173.10 177.37 1rkj n THR 52 N 4.73 -4.63 0.00 0.90 -1.04 -1.26 -0.72 114.28 112.26 1rkj n THR 52 Ca -0.01 2.16 0.00 0.00 -2.04 0.00 0.00 64.05 64.16 1rkj n THR 52 Cb 0.41 -3.11 0.00 0.00 -1.82 0.00 0.00 70.33 65.81 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 -1.44 0.00 -2.85 8.00 2.85 -1.26 -1.90 115.26 118.66 1rkj n ASN 53 Ca 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.35 1rkj n ASN 53 Cb 0.15 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.19 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 -3.74 0.76 0.02 1.20 1.74 -1.26 -4.48 116.66 110.90 1rkj n ARG 54 Ca 0.00 -2.07 -0.01 0.00 -0.77 0.00 0.00 57.85 55.01 1rkj n ARG 54 Cb 0.00 -1.41 -0.00 0.00 -1.02 0.00 0.00 32.46 30.03 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 1.60 0.04 -3.96 5.56 0.00 0.10 -5.09 118.16 116.40 1rkj n LYS 55 Ca 0.12 0.01 -0.11 0.00 0.00 0.00 0.00 58.31 58.33 1rkj n LYS 55 Cb 0.61 -0.35 -0.02 0.00 0.00 0.00 0.00 35.03 35.27 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 -1.56 0.50 -0.12 5.64 -0.12 -0.73 -4.88 117.98 116.71 1rkj s PHE 56 Ca -0.02 -0.92 -0.02 0.00 -0.05 0.00 0.00 56.93 55.92 1rkj s PHE 56 Cb 0.00 0.34 0.04 0.00 -0.63 0.00 0.00 43.02 42.77 1rkj s PHE 56 CO 0.03 -1.25 0.03 0.20 -0.05 0.00 0.00 175.22 174.17 1rkj s GLY 57 N -3.11 0.51 0.05 1.99 0.00 -0.36 0.37 107.32 106.78 1rkj s GLY 57 Ca 0.22 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.64 1rkj s GLY 57 CO 0.14 1.32 0.19 -0.19 0.00 0.00 0.00 173.10 174.55 1rkj s TYR 58 N 1.97 3.48 -0.15 1.90 1.51 0.13 0.18 117.35 126.38 1rkj s TYR 58 Ca 0.03 0.24 -0.21 0.00 -1.01 0.00 0.00 57.07 56.12 1rkj s TYR 58 Cb -0.14 -1.75 0.05 0.00 -0.11 0.00 0.00 41.96 40.01 1rkj s TYR 58 CO -0.06 0.59 0.54 0.54 -1.11 0.00 0.00 175.55 176.04 1rkj s VAL 59 N -1.47 0.01 -0.01 0.71 0.11 -0.73 -0.63 120.40 118.39 1rkj s VAL 59 Ca 0.33 -0.07 0.02 0.00 -2.93 0.00 0.00 61.98 59.33 1rkj s VAL 59 Cb -0.13 -0.79 -0.03 0.00 -1.53 0.00 0.00 36.38 33.90 1rkj s VAL 59 CO 0.26 -0.04 -0.04 -0.62 -3.33 0.00 0.00 175.10 171.33 1rkj s ASP 60 N -0.24 4.83 0.15 3.54 2.15 -0.05 0.08 116.67 127.12 1rkj s ASP 60 Ca -0.04 -0.07 0.04 0.00 0.43 0.00 0.00 52.55 52.90 1rkj s ASP 60 Cb -0.03 -1.19 -0.04 0.00 -0.30 0.00 0.00 42.92 41.36 1rkj s ASP 60 CO 0.03 0.29 0.20 -0.36 -0.17 0.00 0.00 175.17 175.16 1rkj s PHE 61 N -1.01 3.29 0.14 -5.34 0.40 0.19 -2.26 117.98 113.40 1rkj s PHE 61 Ca 0.17 0.04 -0.17 0.00 -0.60 0.00 0.00 56.93 56.38 1rkj s PHE 61 Cb -0.11 -1.58 0.00 0.00 0.51 0.00 0.00 43.02 41.84 1rkj s PHE 61 CO 0.08 0.52 1.78 1.49 0.70 0.00 0.00 175.22 179.79 1rkj h GLU 62 N 2.34 0.37 0.00 0.44 4.81 -1.87 -3.40 114.58 117.26 1rkj h GLU 62 Ca -0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1rkj h GLU 62 Cb 1.20 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1rkj h GLU 62 CO 0.66 0.24 0.00 0.45 -0.73 0.00 0.00 179.01 179.63 1rkj n SER 63 N -4.91 0.00 -0.63 1.04 2.88 -1.26 -4.94 113.62 105.80 1rkj n SER 63 Ca -0.00 0.00 0.48 0.00 -1.33 0.00 0.00 58.87 58.01 1rkj n SER 63 Cb 0.06 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.25 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 -0.14 1.70 0.03 -1.46 0.00 -1.26 -0.91 120.51 118.46 1rkj n ALA 64 Ca 0.00 0.58 -0.01 0.00 0.00 0.00 0.00 53.44 54.01 1rkj n ALA 64 Cb 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.08 -0.45 0.00 4.57 -1.99 0.15 114.58 116.78 1rkj h GLU 65 Ca 0.84 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 59.00 1rkj h GLU 65 Cb 3.43 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 32.02 1rkj h GLU 65 CO -0.01 -0.05 0.19 0.38 -1.18 0.00 0.00 179.01 178.34 1rkj h ASP 66 N -0.08 0.58 -0.54 1.04 2.03 -1.42 -2.41 116.42 115.63 1rkj h ASP 66 Ca -0.01 -0.06 0.03 0.00 -0.73 0.00 0.00 57.03 56.27 1rkj h ASP 66 Cb 0.06 -0.15 -0.04 0.00 -0.83 0.00 0.00 39.33 38.38 1rkj h ASP 66 CO 0.01 0.52 0.31 0.25 -1.03 0.00 0.00 179.24 179.29 1rkj h LEU 67 N 0.64 0.49 0.57 0.15 6.46 -1.09 0.31 115.31 122.85 1rkj h LEU 67 Ca 0.16 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.90 1rkj h LEU 67 Cb 0.11 -0.09 0.01 0.00 -0.73 0.00 0.00 40.66 39.96 1rkj h LEU 67 CO -0.02 0.34 -0.27 -0.08 -0.62 0.00 0.00 178.44 177.79 1rkj h GLU 68 N 0.61 -0.74 -0.97 1.25 4.81 -0.24 -2.25 114.58 117.05 1rkj h GLU 68 Ca 0.22 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.62 1rkj h GLU 68 Cb 0.06 0.17 -0.08 0.00 0.63 0.00 0.00 28.75 29.52 1rkj h GLU 68 CO -0.11 -0.43 0.60 -0.22 -0.73 0.00 0.00 179.01 178.11 1rkj h LYS 69 N -1.00 0.91 0.38 1.92 3.64 -1.34 -2.24 116.57 118.84 1rkj h LYS 69 Ca -0.08 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1rkj h LYS 69 Cb 0.65 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1rkj h LYS 69 CO 0.13 0.60 -0.31 0.00 -2.27 0.00 0.00 179.45 177.60 1rkj h ALA 70 N 1.53 -1.05 -1.04 5.00 0.00 -0.29 -1.08 119.26 122.33 1rkj h ALA 70 Ca 0.48 -0.13 0.30 0.00 0.00 0.00 0.00 54.91 55.56 1rkj h ALA 70 Cb 0.49 0.50 -0.13 0.00 0.00 0.00 0.00 17.79 18.65 1rkj h ALA 70 CO -0.27 -1.05 0.62 -0.07 0.00 0.00 0.00 179.25 178.48 1rkj h LEU 71 N -0.67 0.53 -1.17 0.00 3.38 -1.13 0.84 115.31 117.09 1rkj h LEU 71 Ca -0.05 0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1rkj h LEU 71 Cb 0.56 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1rkj h LEU 71 CO 0.00 -0.02 -0.10 -0.33 0.09 0.00 0.00 178.44 178.07 1rkj h GLU 72 N 0.40 0.45 -4.01 1.13 4.39 -0.89 -3.31 114.58 112.75 1rkj h GLU 72 Ca 0.69 -0.12 -0.76 0.00 0.34 0.00 0.00 59.36 59.51 1rkj h GLU 72 Cb 1.59 -0.05 -0.19 0.00 -0.10 0.00 0.00 28.75 29.99 1rkj h GLU 72 CO -0.49 0.56 1.43 1.28 -1.16 0.00 0.00 179.01 180.63 1rkj n LEU 73 N -4.23 5.86 0.00 1.33 4.32 0.29 -5.01 117.00 119.57 1rkj n LEU 73 Ca 0.01 -4.67 0.00 0.00 -0.02 0.00 0.00 56.01 51.33 1rkj n LEU 73 Cb 0.30 -1.52 0.00 0.00 -1.62 0.00 0.00 43.42 40.58 1rkj n LEU 73 CO 0.40 1.12 0.00 0.41 -1.22 0.00 0.00 177.39 178.09 1rkj n THR 74 N 3.62 0.00 0.00 -5.08 -1.04 -1.25 -4.67 114.28 105.86 1rkj n THR 74 Ca 0.35 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.36 1rkj n THR 74 Cb 0.39 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 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 0.00 1.57 7.00 3.41 0.00 -1.26 -5.08 105.19 110.83 1rkj n GLY 75 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.84 0.99 4.77 -1.26 -4.92 117.00 115.73 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 -0.26 0.29 -1.33 0.00 0.00 177.39 176.09 1rkj n LYS 77 N 12.98 -2.22 -0.10 3.23 5.02 -1.26 -4.91 118.16 130.89 1rkj n LYS 77 Ca 0.00 1.72 -0.24 0.00 -2.02 0.00 0.00 58.31 57.77 1rkj n LYS 77 Cb 0.00 -2.13 -0.12 0.00 -0.02 0.00 0.00 35.03 32.76 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 -1.99 1.57 -2.87 -0.18 0.24 -1.26 -4.73 118.33 109.11 1rkj n VAL 78 Ca 0.00 -0.37 -0.12 0.00 -2.04 0.00 0.00 64.34 61.81 1rkj n VAL 78 Cb 0.24 -1.81 0.03 0.00 -1.47 0.00 0.00 33.84 30.83 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 -3.97 -0.57 0.00 6.34 3.01 -1.26 -4.95 117.46 116.06 1rkj n PHE 79 Ca -0.42 -2.90 0.00 0.00 1.01 0.00 0.00 57.45 55.14 1rkj n PHE 79 Cb 0.88 0.31 0.00 0.00 -0.01 0.00 0.00 39.48 40.66 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 0.06 1.83 3.62 1.37 0.00 -1.26 -4.97 105.19 105.84 1rkj n GLY 80 Ca 0.12 -0.33 -0.46 0.00 0.00 0.00 0.00 46.02 45.35 1rkj n GLY 80 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rkj n ASN 81 N 1.70 3.36 -4.61 1.61 2.85 -1.26 -4.91 115.26 114.00 1rkj n ASN 81 Ca 0.00 0.64 -0.36 0.00 -0.11 0.00 0.00 54.58 54.75 1rkj n ASN 81 Cb 0.00 -1.45 0.08 0.00 1.24 0.00 0.00 39.78 39.66 1rkj n ASN 81 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1rkj n GLU 82 N 7.74 0.55 -3.26 1.20 -0.00 -1.26 -4.21 120.64 121.40 1rkj n GLU 82 Ca 0.27 0.24 -0.15 0.00 -0.00 0.00 0.00 57.16 57.52 1rkj n GLU 82 Cb 0.36 -2.21 -0.03 0.00 -0.00 0.00 0.00 31.44 29.56 1rkj n GLU 82 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 1rkj n ILE 83 N -2.41 0.00 -3.66 3.84 -5.35 -1.24 -4.58 119.36 105.95 1rkj n ILE 83 Ca 0.13 -1.14 -0.19 0.00 -0.27 0.00 0.00 62.75 61.27 1rkj n ILE 83 Cb 0.49 0.26 -0.17 0.00 -1.74 0.00 0.00 39.64 38.48 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 -2.86 -0.04 -0.33 6.28 1.02 -0.56 -5.00 119.74 118.26 1rkj s LYS 84 Ca 0.01 0.41 -0.13 0.00 0.02 0.00 0.00 55.97 56.28 1rkj s LYS 84 Cb 0.00 -0.50 -0.02 0.00 -0.52 0.00 0.00 37.83 36.79 1rkj s LYS 84 CO 0.01 -0.34 0.28 -0.51 -0.92 0.00 0.00 175.35 173.87 1rkj s LEU 85 N 2.21 4.41 0.43 3.17 1.43 -1.26 -1.60 118.68 127.47 1rkj s LEU 85 Ca 0.04 -0.27 0.05 0.00 -1.03 0.00 0.00 54.13 52.92 1rkj s LEU 85 Cb -0.12 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 1rkj s LEU 85 CO -0.04 -0.24 0.02 -0.70 0.23 0.00 0.00 176.35 175.61 1rkj s GLU 86 N 1.84 2.00 0.39 1.70 2.12 0.67 -4.96 118.70 122.46 1rkj s GLU 86 Ca 0.08 -2.19 0.06 0.00 0.36 0.00 0.00 54.97 53.29 1rkj s GLU 86 Cb -0.17 -1.47 0.00 0.00 0.26 0.00 0.00 34.13 32.75 1rkj s GLU 86 CO 0.11 -0.18 0.55 0.15 -0.54 0.00 0.00 175.26 175.35 1rkj s LYS 87 N -3.78 2.98 0.18 4.30 1.02 -1.26 0.21 119.74 123.39 1rkj s LYS 87 Ca 0.25 -0.98 -0.32 0.00 0.02 0.00 0.00 55.97 54.95 1rkj s LYS 87 Cb 0.07 -2.74 -0.16 0.00 -0.52 0.00 0.00 37.83 34.48 1rkj s LYS 87 CO 0.13 -0.14 1.00 -2.30 -0.92 0.00 0.00 175.35 173.12 1rkj n PRO 88 N -1.82 0.84 -1.82 -1.68 -0.02 -1.25 -4.56 135.00 124.69 1rkj n PRO 88 Ca 0.03 0.30 0.01 0.00 -2.02 0.00 0.00 63.50 61.82 1rkj n PRO 88 Cb 0.58 -1.67 0.02 0.00 -0.02 0.00 0.00 33.50 32.41 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 1.39 0.49 0.00 -0.52 4.81 -1.26 -5.08 118.16 117.99 1rkj n LYS 89 Ca 0.15 -2.19 0.00 0.00 -0.87 0.00 0.00 58.31 55.41 1rkj n LYS 89 Cb 0.24 -0.30 0.00 0.00 0.02 0.00 0.00 35.03 35.00 1rkj n LYS 89 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rkj n GLY 90 N 0.06 1.06 0.02 3.14 0.00 -1.26 -5.02 105.19 103.19 1rkj n GLY 90 Ca 0.00 -0.70 0.11 0.00 0.00 0.00 0.00 46.02 45.43 1rkj n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rkj n ARG 91 N -0.18 0.49 0.00 1.61 1.74 -1.26 -5.00 116.66 114.06 1rkj n ARG 91 Ca 0.00 -0.10 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1rkj n ARG 91 Cb 0.00 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 1rkj n ARG 91 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1rkj n ASP 92 N -2.14 0.00 0.00 0.55 8.00 -1.26 -5.09 116.55 116.61 1rkj n ASP 92 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1rkj n ASP 92 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 1rkj n ASP 92 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1rkj n SER 93 N 0.00 0.00 -3.62 -2.24 7.64 -1.26 -4.78 113.62 109.36 1rkj n SER 93 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1rkj n SER 93 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1rkj n SER 93 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1rkj n LYS 94 N 0.00 0.00 0.00 1.43 4.76 -1.26 0.02 118.16 123.11 1rkj n LYS 94 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1rkj n LYS 94 Cb 0.00 -0.91 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 1rkj n LYS 94 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1rkj n LYS 95 N 0.91 0.00 -0.35 1.97 3.00 -1.26 -4.62 118.16 117.80 1rkj n LYS 95 Ca 0.15 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.49 1rkj n LYS 95 Cb 0.17 0.00 0.16 0.00 0.00 0.00 0.00 35.03 35.37 1rkj n LYS 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1rkj n VAL 96 N 0.00 1.07 -4.26 3.15 0.31 0.10 -4.89 118.33 113.81 1rkj n VAL 96 Ca 0.00 -0.56 -0.33 0.00 -0.01 0.00 0.00 64.34 63.44 1rkj n VAL 96 Cb 0.00 -0.35 -0.07 0.00 -0.91 0.00 0.00 33.84 32.51 1rkj n VAL 96 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1rkj n ARG 97 N 0.27 -1.80 0.00 5.55 5.12 -1.12 0.25 116.66 124.93 1rkj n ARG 97 Ca 0.11 0.22 0.00 0.00 -1.93 0.00 0.00 57.85 56.25 1rkj n ARG 97 Cb 0.61 -4.27 0.00 0.00 -1.16 0.00 0.00 32.46 27.64 1rkj n ARG 97 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1rkj n ALA 98 N -4.41 0.00 -1.60 7.54 0.00 -1.13 -2.04 120.51 118.87 1rkj n ALA 98 Ca -0.17 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.27 1rkj n ALA 98 Cb 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.06 1rkj n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rkj n ALA 99 N 0.00 -2.65 -3.34 0.00 0.00 0.14 -4.39 120.51 110.27 1rkj n ALA 99 Ca 0.00 0.27 -0.16 0.00 0.00 0.00 0.00 53.44 53.55 1rkj n ALA 99 Cb 0.00 -0.73 0.08 0.00 0.00 0.00 0.00 19.45 18.80 1rkj n ALA 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rkj n ARG 100 N 0.76 -5.51 -4.46 0.00 1.74 -1.26 -4.88 116.66 103.06 1rkj n ARG 100 Ca -0.01 0.82 -0.23 0.00 -0.77 0.00 0.00 57.85 57.66 1rkj n ARG 100 Cb 0.02 -5.74 -0.09 0.00 -1.02 0.00 0.00 32.46 25.64 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 -3.35 0.69 -0.17 0.55 -1.32 -0.72 -1.51 115.64 109.81 1rkj s THR 101 Ca 0.09 -2.00 -0.09 0.00 -1.21 0.00 0.00 61.69 58.48 1rkj s THR 101 Cb -0.01 -2.50 0.06 0.00 -1.51 0.00 0.00 72.50 68.54 1rkj s THR 101 CO 0.71 0.00 0.40 -0.22 -2.21 0.00 0.00 174.62 173.29 1rkj s LEU 102 N -3.52 -0.06 0.09 9.08 2.96 -0.64 -2.10 118.68 124.50 1rkj s LEU 102 Ca 0.30 0.87 -0.01 0.00 -0.22 0.00 0.00 54.13 55.06 1rkj s LEU 102 Cb 0.05 1.31 -0.04 0.00 0.50 0.00 0.00 46.19 48.00 1rkj s LEU 102 CO 0.15 -0.19 0.26 -0.22 -1.32 0.00 0.00 176.35 175.03 1rkj s LEU 103 N 1.39 4.33 0.30 -0.68 2.96 -0.49 0.08 118.68 126.58 1rkj s LEU 103 Ca -0.09 0.35 0.11 0.00 -0.22 0.00 0.00 54.13 54.28 1rkj s LEU 103 Cb -0.08 -3.06 -0.06 0.00 0.50 0.00 0.00 46.19 43.49 1rkj s LEU 103 CO -0.12 0.13 -0.15 0.00 -1.32 0.00 0.00 176.35 174.89 1rkj s ALA 104 N -1.56 2.85 -0.00 5.97 0.00 0.87 -1.13 121.76 128.76 1rkj s ALA 104 Ca 0.37 -1.95 -0.04 0.00 0.00 0.00 0.00 51.96 50.34 1rkj s ALA 104 Cb -0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 1rkj s ALA 104 CO 0.27 0.20 0.07 0.15 0.00 0.00 0.00 175.76 176.45 1rkj s LYS 105 N -3.56 0.30 0.00 0.00 1.02 0.23 -1.52 119.74 116.22 1rkj s LYS 105 Ca 0.31 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.02 1rkj s LYS 105 Cb -0.02 0.12 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 1rkj s LYS 105 CO 0.16 -0.06 0.00 -1.71 -0.92 0.00 0.00 175.35 172.82 1rkj n ASN 106 N 2.04 0.00 0.00 2.83 2.85 0.27 -2.18 115.26 121.07 1rkj n ASN 106 Ca -0.20 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.27 1rkj n ASN 106 Cb 0.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 1rkj n ASN 106 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1rkj n LEU 107 N 0.00 0.00 0.00 1.20 7.94 -1.24 -4.09 117.00 120.82 1rkj n LEU 107 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1rkj n LEU 107 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1rkj n LEU 107 CO 0.00 0.00 0.00 -0.24 -1.11 0.00 0.00 177.39 176.04 1rkj n SER 108 N 2.86 -1.34 -3.28 1.96 2.88 -1.26 -4.21 113.62 111.21 1rkj n SER 108 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 1rkj n SER 108 Cb 0.00 -0.22 -0.04 0.00 -0.75 0.00 0.00 64.21 63.19 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 -2.45 -0.92 -1.80 0.66 -1.74 -1.26 -4.48 117.46 105.47 1rkj n PHE 109 Ca 0.00 0.39 -0.03 0.00 -0.56 0.00 0.00 57.45 57.24 1rkj n PHE 109 Cb 0.00 -1.18 -0.03 0.00 1.52 0.00 0.00 39.48 39.79 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 -1.38 -0.47 0.00 5.98 2.85 -1.26 -4.99 115.26 115.98 1rkj n ASN 110 Ca 0.07 -1.17 -0.01 0.00 -0.11 0.00 0.00 54.58 53.36 1rkj n ASN 110 Cb 0.32 0.14 -0.00 0.00 1.24 0.00 0.00 39.78 41.48 1rkj n ASN 110 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1rkj n ILE 111 N 0.00 0.21 -1.42 -1.44 2.08 -1.26 -5.07 119.36 112.46 1rkj n ILE 111 Ca -0.13 0.03 0.19 0.00 0.56 0.00 0.00 62.75 63.40 1rkj n ILE 111 Cb 0.49 -1.53 -0.05 0.00 -0.75 0.00 0.00 39.64 37.80 1rkj n ILE 111 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1rkj n THR 112 N -3.11 0.00 0.30 1.39 -2.24 -1.26 -3.58 114.28 105.78 1rkj n THR 112 Ca -0.02 0.05 0.17 0.00 -2.27 0.00 0.00 64.05 61.98 1rkj n THR 112 Cb 0.46 -0.53 0.96 0.00 -2.10 0.00 0.00 70.33 69.12 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 -1.32 0.00 0.00 -0.78 5.08 -2.00 -2.33 114.58 113.23 1rkj h GLU 113 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1rkj h GLU 113 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1rkj h GLU 113 CO 0.01 0.02 0.00 -3.47 -1.00 0.00 0.00 179.01 174.58 1rkj n ASP 114 N -3.56 0.00 -0.03 1.42 -0.08 -1.25 0.51 116.55 113.56 1rkj n ASP 114 Ca -0.03 0.62 -0.15 0.00 -1.51 0.00 0.00 54.79 53.72 1rkj n ASP 114 Cb 0.12 -0.12 -0.13 0.00 2.34 0.00 0.00 41.12 43.33 1rkj n ASP 114 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1rkj h GLU 115 N 0.00 0.10 -0.28 -0.67 5.08 -1.61 -1.97 114.58 115.23 1rkj h GLU 115 Ca 0.00 -0.14 0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1rkj h GLU 115 Cb 0.00 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.22 1rkj h GLU 115 CO 0.00 1.02 -0.44 1.25 -1.00 0.00 0.00 179.01 179.84 1rkj h LEU 116 N -0.75 -1.43 -0.38 1.33 7.12 -1.47 -1.63 115.31 118.10 1rkj h LEU 116 Ca -0.04 0.20 -0.05 0.00 0.13 0.00 0.00 57.88 58.12 1rkj h LEU 116 Cb 1.12 0.60 -0.01 0.00 -0.53 0.00 0.00 40.66 41.84 1rkj h LEU 116 CO 0.04 -0.40 0.04 0.07 -0.13 0.00 0.00 178.44 178.06 1rkj h LYS 117 N -0.41 0.65 0.00 1.25 2.10 -0.08 -3.26 116.57 116.81 1rkj h LYS 117 Ca 0.10 -0.19 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 1rkj h LYS 117 Cb 0.61 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 1rkj h LYS 117 CO -0.50 0.73 0.00 -1.91 -2.00 0.00 0.00 179.45 175.77 1rkj n GLU 118 N -4.51 0.00 -0.39 0.07 2.13 -0.70 0.03 120.64 117.26 1rkj n GLU 118 Ca -0.01 0.50 0.31 0.00 0.66 0.00 0.00 57.16 58.62 1rkj n GLU 118 Cb 0.25 -1.07 0.49 0.00 0.27 0.00 0.00 31.44 31.39 1rkj n GLU 118 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1rkj n VAL 119 N -1.20 -0.08 -3.18 6.31 0.31 -0.70 -1.77 118.33 118.03 1rkj n VAL 119 Ca 0.00 1.07 -0.44 0.00 -0.01 0.00 0.00 64.34 64.95 1rkj n VAL 119 Cb 0.00 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.17 1rkj n VAL 119 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1rkj n PHE 120 N -3.59 4.42 0.67 3.52 3.72 0.10 -4.78 117.46 121.53 1rkj n PHE 120 Ca 0.28 -3.49 0.12 0.00 -0.05 0.00 0.00 57.45 54.32 1rkj n PHE 120 Cb 1.19 -1.66 0.47 0.00 -0.94 0.00 0.00 39.48 38.54 1rkj n PHE 120 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1rkj n GLU 121 N 2.69 0.14 -0.04 -1.08 0.28 -0.73 -3.10 120.64 118.80 1rkj n GLU 121 Ca 0.26 0.20 0.02 0.00 -0.16 0.00 0.00 57.16 57.48 1rkj n GLU 121 Cb 0.38 -1.69 -0.14 0.00 1.43 0.00 0.00 31.44 31.42 1rkj n GLU 121 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1rkj n ASP 122 N -1.94 0.78 -4.50 -1.84 8.00 -1.26 -4.94 116.55 110.85 1rkj n ASP 122 Ca 0.05 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.15 1rkj n ASP 122 Cb 0.33 1.44 -0.15 0.00 -0.02 0.00 0.00 41.12 42.73 1rkj n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rkj n ALA 123 N -2.35 0.34 -0.19 2.24 0.00 -1.18 -4.73 120.51 114.63 1rkj n ALA 123 Ca -0.14 -0.32 -0.09 0.00 0.00 0.00 0.00 53.44 52.90 1rkj n ALA 123 Cb 0.73 -2.30 -0.04 0.00 0.00 0.00 0.00 19.45 17.85 1rkj n ALA 123 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1rkj h LEU 124 N 12.12 -1.48 -8.15 0.00 3.38 -0.10 -3.41 115.31 117.67 1rkj h LEU 124 Ca -0.05 0.24 -0.44 0.00 0.09 0.00 0.00 57.88 57.72 1rkj h LEU 124 Cb 1.30 0.67 -0.29 0.00 0.09 0.00 0.00 40.66 42.43 1rkj h LEU 124 CO 1.40 -0.34 -0.80 -1.61 0.09 0.00 0.00 178.44 177.18 1rkj s GLU 125 N -5.84 0.96 -0.24 1.13 0.41 -0.89 -4.99 118.70 109.23 1rkj s GLU 125 Ca -0.14 -0.45 -0.03 0.00 -0.41 0.00 0.00 54.97 53.94 1rkj s GLU 125 Cb 0.13 -0.93 0.01 0.00 -1.78 0.00 0.00 34.13 31.56 1rkj s GLU 125 CO 0.66 0.25 -0.05 0.42 -0.49 0.00 0.00 175.26 176.05 1rkj s ILE 126 N -0.33 3.11 -0.18 -1.63 1.01 -1.26 -1.34 121.20 120.57 1rkj s ILE 126 Ca 0.04 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 1rkj s ILE 126 Cb -0.05 -2.50 0.06 0.00 0.01 0.00 0.00 42.46 39.98 1rkj s ILE 126 CO -0.00 0.30 0.07 -0.13 0.00 0.00 0.00 174.94 175.17 1rkj s ARG 127 N 1.40 0.31 0.04 2.79 0.52 0.47 -5.02 118.95 119.46 1rkj s ARG 127 Ca 0.03 -0.23 -0.00 0.00 -0.52 0.00 0.00 55.73 55.01 1rkj s ARG 127 Cb -0.15 -1.95 -0.04 0.00 0.52 0.00 0.00 34.95 33.33 1rkj s ARG 127 CO -0.04 -0.66 0.16 -0.48 0.02 0.00 0.00 175.30 174.29 1rkj s LEU 128 N 2.02 4.18 -0.41 2.53 -0.00 -1.26 0.21 118.68 125.95 1rkj s LEU 128 Ca 0.01 0.21 0.02 0.00 -0.00 0.00 0.00 54.13 54.37 1rkj s LEU 128 Cb -0.16 -2.66 0.13 0.00 -0.00 0.00 0.00 46.19 43.49 1rkj s LEU 128 CO -0.09 0.21 0.21 -0.69 -0.00 0.00 0.00 176.35 175.99 1rkj s VAL 129 N -1.39 1.27 -0.42 1.48 1.01 0.18 -4.87 120.40 117.66 1rkj s VAL 129 Ca 0.30 -2.31 0.11 0.00 0.00 0.00 0.00 61.98 60.08 1rkj s VAL 129 Cb -0.13 -1.90 -0.13 0.00 0.00 0.00 0.00 36.38 34.23 1rkj s VAL 129 CO 0.22 -0.86 0.42 -1.54 0.00 0.00 0.00 175.10 173.34 1rkj n SER 130 N 3.81 0.83 -1.52 3.32 3.41 -1.23 -1.94 113.62 120.30 1rkj n SER 130 Ca 0.07 -0.63 -0.00 0.00 -0.26 0.00 0.00 58.87 58.05 1rkj n SER 130 Cb 0.36 1.08 -0.00 0.00 -0.26 0.00 0.00 64.21 65.39 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 -1.36 -1.78 0.04 4.33 1.13 -1.26 -1.95 117.38 116.53 1rkj n GLN 131 Ca 0.01 1.62 0.13 0.00 -1.94 0.00 0.00 57.00 56.83 1rkj n GLN 131 Cb 0.19 -2.02 0.53 0.00 0.11 0.00 0.00 30.24 29.05 1rkj n GLN 131 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1rkj n ASP 132 N 0.63 0.29 -0.06 1.08 9.92 -1.26 -3.65 116.55 123.50 1rkj n ASP 132 Ca -0.02 0.53 -0.20 0.00 -0.53 0.00 0.00 54.79 54.58 1rkj n ASP 132 Cb 0.03 -0.61 -0.13 0.00 -0.64 0.00 0.00 41.12 39.77 1rkj n ASP 132 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1rkj n GLY 133 N 1.35 -0.48 0.00 0.44 0.00 -1.26 -4.98 105.19 100.26 1rkj n GLY 133 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.37 0.00 -2.05 1.61 4.76 -1.24 -5.19 118.16 112.69 1rkj n LYS 134 Ca -0.38 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.06 1rkj n LYS 134 Cb 1.02 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.22 1rkj n LYS 134 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1rkj n SER 135 N 0.00 -0.27 0.00 4.39 7.64 -1.23 -4.91 113.62 119.23 1rkj n SER 135 Ca 0.00 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.77 1rkj n SER 135 Cb 0.00 0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 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 -0.15 0.00 -3.98 1.43 5.02 -0.82 -4.31 118.16 115.35 1rkj n LYS 136 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 1rkj n LYS 136 Cb 0.11 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.13 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 -0.44 3.17 0.72 0.00 -1.25 -4.80 105.19 102.59 1rkj n GLY 137 Ca 0.00 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.40 1.26 0.43 -0.61 1.01 -0.82 0.96 121.20 120.04 1rkj s ILE 138 Ca 0.56 -1.09 0.05 0.00 0.00 0.00 0.00 60.65 60.17 1rkj s ILE 138 Cb -0.29 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 1rkj s ILE 138 CO 0.86 0.03 0.02 0.00 0.00 0.00 0.00 174.94 175.84 1rkj s ALA 139 N -0.88 3.38 -0.23 9.38 0.00 -0.57 0.49 121.76 133.32 1rkj s ALA 139 Ca 0.03 -1.60 -0.22 0.00 0.00 0.00 0.00 51.96 50.17 1rkj s ALA 139 Cb -0.08 0.21 0.06 0.00 0.00 0.00 0.00 23.12 23.30 1rkj s ALA 139 CO 0.02 -0.12 0.63 -0.47 0.00 0.00 0.00 175.76 175.82 1rkj s TYR 140 N -2.85 -0.69 0.26 0.00 6.14 0.13 -0.09 117.35 120.25 1rkj s TYR 140 Ca 0.25 1.66 0.03 0.00 0.64 0.00 0.00 57.07 59.65 1rkj s TYR 140 Cb 0.07 0.24 -0.04 0.00 0.42 0.00 0.00 41.96 42.65 1rkj s TYR 140 CO 0.13 -0.34 0.19 0.42 0.64 0.00 0.00 175.55 176.58 1rkj s ILE 141 N 0.26 0.05 -0.10 3.14 1.09 0.11 -0.39 121.20 125.36 1rkj s ILE 141 Ca -0.01 -2.00 -0.07 0.00 -1.10 0.00 0.00 60.65 57.47 1rkj s ILE 141 Cb -0.04 -2.50 0.04 0.00 -1.06 0.00 0.00 42.46 38.89 1rkj s ILE 141 CO 0.01 0.00 0.25 -0.70 -0.10 0.00 0.00 174.94 174.40 1rkj s GLU 142 N -3.86 0.25 0.25 2.79 2.12 -0.45 -1.61 118.70 118.19 1rkj s GLU 142 Ca 0.39 0.45 0.01 0.00 0.36 0.00 0.00 54.97 56.18 1rkj s GLU 142 Cb 0.05 0.01 0.01 0.00 0.26 0.00 0.00 34.13 34.46 1rkj s GLU 142 CO 0.18 -0.10 0.09 1.19 -0.54 0.00 0.00 175.26 176.09 1rkj n PHE 143 N 3.60 -0.19 1.06 5.30 3.01 -0.57 0.63 117.46 130.30 1rkj n PHE 143 Ca -0.19 -1.17 0.11 0.00 1.01 0.00 0.00 57.45 57.22 1rkj n PHE 143 Cb 0.56 -0.19 0.08 0.00 -0.01 0.00 0.00 39.48 39.92 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 -0.85 1.02 -3.78 -1.08 0.00 -1.26 -4.56 118.16 107.66 1rkj n LYS 144 Ca -0.06 -0.80 -0.00 0.00 0.00 0.00 0.00 58.31 57.45 1rkj n LYS 144 Cb 0.31 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 33.85 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 -2.53 -0.06 0.35 3.14 1.04 -1.26 -4.97 113.70 109.41 1rkj s SER 145 Ca 0.19 -0.33 0.21 0.00 0.48 0.00 0.00 55.95 56.50 1rkj s SER 145 Cb 0.18 0.31 0.20 0.00 0.10 0.00 0.00 66.02 66.82 1rkj s SER 145 CO 0.58 -0.59 1.45 -0.33 0.98 0.00 0.00 173.24 175.33 1rkj h GLU 146 N 2.00 0.00 0.12 4.02 4.39 -1.95 -3.04 114.58 120.12 1rkj h GLU 146 Ca -0.27 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.45 1rkj h GLU 146 Cb 1.21 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.82 1rkj h GLU 146 CO 0.30 0.12 -0.38 0.00 -1.16 0.00 0.00 179.01 177.89 1rkj h ALA 147 N 1.87 -0.67 0.00 3.43 0.00 -1.98 0.30 119.26 122.21 1rkj h ALA 147 Ca -0.01 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1rkj h ALA 147 Cb 1.11 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 1rkj h ALA 147 CO 0.02 -0.94 -0.73 -0.44 0.00 0.00 0.00 179.25 177.16 1rkj h ASP 148 N -0.61 0.00 0.43 0.00 5.19 -1.99 -1.40 116.42 118.04 1rkj h ASP 148 Ca 0.03 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.42 1rkj h ASP 148 Cb 0.64 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.16 1rkj h ASP 148 CO -0.22 0.73 -0.21 0.00 -3.12 0.00 0.00 179.24 176.42 1rkj h ALA 149 N 1.27 -0.58 0.07 3.45 0.00 -1.33 -2.33 119.26 119.81 1rkj h ALA 149 Ca -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1rkj h ALA 149 Cb 1.51 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1rkj h ALA 149 CO 0.09 -0.79 -0.03 0.93 0.00 0.00 0.00 179.25 179.46 1rkj h GLU 150 N -0.66 -0.09 -0.69 0.00 5.08 -0.51 -1.82 114.58 115.91 1rkj h GLU 150 Ca -0.06 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1rkj h GLU 150 Cb 0.49 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.67 1rkj h GLU 150 CO 0.10 0.47 -0.41 1.17 -1.00 0.00 0.00 179.01 179.34 1rkj n LYS 151 N -4.79 -0.30 -0.23 2.33 4.81 -0.53 0.41 118.16 119.86 1rkj n LYS 151 Ca -0.07 1.28 -0.06 0.00 -0.87 0.00 0.00 58.31 58.58 1rkj n LYS 151 Cb 0.29 -1.89 0.04 0.00 0.02 0.00 0.00 35.03 33.50 1rkj n LYS 151 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1rkj h ASN 152 N 0.00 0.84 -0.32 3.14 2.35 -1.55 -1.99 115.58 118.04 1rkj h ASN 152 Ca 0.11 -0.12 0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1rkj h ASN 152 Cb 0.28 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 1rkj h ASN 152 CO -0.65 0.72 -0.19 -0.11 -1.65 0.00 0.00 177.43 175.56 1rkj n LEU 153 N -4.49 -0.34 0.15 1.61 7.94 0.17 0.57 117.00 122.61 1rkj n LEU 153 Ca 0.05 0.93 0.04 0.00 -1.11 0.00 0.00 56.01 55.92 1rkj n LEU 153 Cb 0.11 -0.26 0.09 0.00 0.53 0.00 0.00 43.42 43.90 1rkj n LEU 153 CO 0.38 -0.65 0.53 -0.33 -1.11 0.00 0.00 177.39 176.22 1rkj h GLU 154 N 0.00 0.00 0.00 1.96 5.08 -1.41 -3.40 114.58 116.81 1rkj h GLU 154 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1rkj h GLU 154 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1rkj h GLU 154 CO -0.30 0.44 0.00 0.39 -1.00 0.00 0.00 179.01 178.54 1rkj n GLU 155 N -3.25 0.00 0.00 2.33 1.02 0.10 -4.97 120.64 115.88 1rkj n GLU 155 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1rkj n GLU 155 Cb 0.68 -0.30 0.00 0.00 -0.02 0.00 0.00 31.44 31.80 1rkj n GLU 155 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1rkj n LYS 156 N -0.81 0.00 -1.70 3.49 2.85 0.19 -4.74 118.16 117.44 1rkj n LYS 156 Ca 0.00 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 1rkj n LYS 156 Cb 0.00 -0.28 0.00 0.00 -0.65 0.00 0.00 35.03 34.10 1rkj n LYS 156 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 1rkj n GLN 157 N -1.37 -0.51 -1.05 -1.58 0.00 -0.24 -1.25 117.38 111.38 1rkj n GLN 157 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 57.00 56.79 1rkj n GLN 157 Cb 0.00 0.38 0.00 0.00 0.00 0.00 0.00 30.24 30.62 1rkj n GLN 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1rkj n GLY 158 N -0.46 -0.17 0.00 1.69 0.00 -1.26 -4.79 105.19 100.20 1rkj n GLY 158 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.46 0.00 -1.43 4.61 0.00 -0.38 -3.36 120.51 119.48 1rkj n ALA 159 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1rkj n ALA 159 Cb 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.19 0.00 0.00 0.28 -1.26 -4.16 120.64 115.69 1rkj n GLU 160 Ca 0.00 -0.66 0.00 0.00 -0.16 0.00 0.00 57.16 56.34 1rkj n GLU 160 Cb 0.00 -2.50 0.00 0.00 1.43 0.00 0.00 31.44 30.37 1rkj n GLU 160 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1rkj n ILE 161 N 7.13 0.00 0.00 3.84 5.41 -1.26 -4.84 119.36 129.64 1rkj n ILE 161 Ca 0.41 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.16 1rkj n ILE 161 Cb 0.38 -0.74 0.00 0.00 -0.71 0.00 0.00 39.64 38.57 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 -2.61 0.04 0.00 4.38 5.68 -1.26 -5.06 116.55 117.72 1rkj n ASP 162 Ca 0.00 -0.46 0.00 0.00 -0.50 0.00 0.00 54.79 53.83 1rkj n ASP 162 Cb 0.49 0.93 0.00 0.00 -1.14 0.00 0.00 41.12 41.40 1rkj n ASP 162 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rkj n GLY 163 N 0.94 2.16 0.23 6.12 0.00 -1.26 -4.84 105.19 108.54 1rkj n GLY 163 Ca 0.00 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.54 1rkj n GLY 163 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rkj h ARG 164 N 0.00 0.00 -1.50 1.61 -0.00 -1.97 -3.45 114.38 109.06 1rkj h ARG 164 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1rkj h ARG 164 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1rkj h ARG 164 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 179.97 178.84 1rkj n SER 165 N -2.53 -1.65 -1.53 7.04 3.41 -1.26 -4.88 113.62 112.22 1rkj n SER 165 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1rkj n SER 165 Cb 0.14 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 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 -1.04 -3.97 -3.34 -3.33 3.14 -1.21 -4.51 118.33 104.06 1rkj n VAL 166 Ca 0.00 1.82 -0.46 0.00 -2.96 0.00 0.00 64.34 62.74 1rkj n VAL 166 Cb 0.41 -2.50 -0.03 0.00 -1.06 0.00 0.00 33.84 30.66 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 -3.31 6.51 0.51 6.55 0.01 -0.93 -4.96 113.70 118.08 1rkj s SER 167 Ca 0.00 -2.41 0.07 0.00 1.31 0.00 0.00 55.95 54.93 1rkj s SER 167 Cb 0.00 -2.19 0.05 0.00 0.21 0.00 0.00 66.02 64.09 1rkj s SER 167 CO 0.00 -0.65 0.70 -1.48 0.41 0.00 0.00 173.24 172.22 1rkj s LEU 168 N 0.62 3.37 -0.03 2.44 0.05 -1.26 0.78 118.68 124.65 1rkj s LEU 168 Ca 0.13 -0.53 -0.29 0.00 0.05 0.00 0.00 54.13 53.49 1rkj s LEU 168 Cb -0.17 -2.26 0.10 0.00 -2.05 0.00 0.00 46.19 41.82 1rkj s LEU 168 CO -0.05 -1.09 0.87 -0.31 -0.55 0.00 0.00 176.35 175.22 1rkj s TYR 169 N -2.56 -0.39 -0.14 3.48 2.02 -0.28 -4.94 117.35 114.54 1rkj s TYR 169 Ca 0.58 0.39 -0.10 0.00 -0.37 0.00 0.00 57.07 57.57 1rkj s TYR 169 Cb -0.08 0.51 -0.05 0.00 -0.40 0.00 0.00 41.96 41.94 1rkj s TYR 169 CO 0.36 -0.53 0.20 1.52 -1.57 0.00 0.00 175.55 175.53 1rkj s TYR 170 N -2.58 3.53 -0.02 2.71 -0.85 -1.26 -1.40 117.35 117.48 1rkj s TYR 170 Ca 0.02 0.53 0.03 0.00 -0.52 0.00 0.00 57.07 57.13 1rkj s TYR 170 Cb -0.01 -2.13 0.00 0.00 0.38 0.00 0.00 41.96 40.21 1rkj s TYR 170 CO -0.05 0.49 -0.09 -0.08 -1.52 0.00 0.00 175.55 174.29 1rkj s THR 171 N -0.31 0.81 0.00 -3.49 -1.32 -0.89 -4.84 115.64 105.61 1rkj s THR 171 Ca 0.14 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.24 1rkj s THR 171 Cb -0.12 -0.71 0.00 0.00 -1.51 0.00 0.00 72.50 70.15 1rkj s THR 171 CO 0.03 0.25 0.00 0.61 -2.21 0.00 0.00 174.62 173.30 1rkj n GLY 172 N 3.22 0.74 0.57 6.08 0.00 -0.87 -1.76 105.19 113.17 1rkj n GLY 172 Ca -0.18 -0.17 0.03 0.00 0.00 0.00 0.00 46.02 45.70 1rkj n GLY 172 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rkj n GLU 173 N 0.00 1.70 0.02 1.61 -0.58 -1.26 -3.88 120.64 118.25 1rkj n GLU 173 Ca 0.00 -0.80 -0.17 0.00 -0.42 0.00 0.00 57.16 55.78 1rkj n GLU 173 Cb 0.00 -1.36 -0.06 0.00 -0.57 0.00 0.00 31.44 29.44 1rkj n GLU 173 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1rkj h LYS 174 N 1.18 0.68 -0.02 3.49 3.64 -1.89 -3.53 116.57 120.12 1rkj h LYS 174 Ca 0.00 -0.62 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 1rkj h LYS 174 Cb 0.51 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1rkj h LYS 174 CO 0.05 1.22 0.00 0.41 -2.27 0.00 0.00 179.45 178.86