#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 4.93 0.09 1.61 0.01 -1.26 -5.06 113.70 114.02 1rkj s SER 2 Ca 0.00 1.91 0.10 0.00 1.31 0.00 0.00 55.95 59.27 1rkj s SER 2 Cb 0.00 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 1rkj s SER 2 CO 0.00 -1.75 -0.26 -1.38 0.41 0.00 0.00 173.24 170.26 1rkj s HIS 3 N -2.58 2.23 -0.06 2.43 -3.43 -1.26 -5.14 115.29 107.49 1rkj s HIS 3 Ca 0.64 -0.39 -0.30 0.00 -0.80 0.00 0.00 55.06 54.21 1rkj s HIS 3 Cb -0.19 -1.26 0.11 0.00 -1.43 0.00 0.00 32.58 29.81 1rkj s HIS 3 CO 0.47 0.23 0.96 1.41 -2.00 0.00 0.00 174.74 175.81 1rkj s MET 4 N -1.69 0.70 -0.60 -0.38 0.00 -1.26 -5.05 119.30 111.03 1rkj s MET 4 Ca 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 55.69 55.58 1rkj s MET 4 Cb -0.10 0.32 0.00 0.00 0.00 0.00 0.00 34.83 35.06 1rkj s MET 4 CO 0.04 -0.30 0.59 0.28 0.00 0.00 0.00 175.02 175.64 1rkj n VAL 5 N -0.10 -9.13 -3.09 10.11 0.31 -1.26 -5.05 118.33 110.13 1rkj n VAL 5 Ca -0.07 -0.05 0.03 0.00 -0.01 0.00 0.00 64.34 64.24 1rkj n VAL 5 Cb 0.61 -6.55 -0.00 0.00 -0.91 0.00 0.00 33.84 26.99 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 -2.90 0.40 2.08 5.55 4.04 -1.26 -5.10 118.70 121.50 1rkj s GLU 6 Ca 0.04 0.15 0.00 0.00 0.04 0.00 0.00 54.97 55.19 1rkj s GLU 6 Cb -0.01 0.12 0.00 0.00 0.02 0.00 0.00 34.13 34.26 1rkj s GLU 6 CO 0.65 -0.67 0.00 0.41 -1.84 0.00 0.00 175.26 173.82 1rkj n GLY 7 N 4.80 1.23 3.18 -3.83 0.00 -1.26 -4.89 105.19 104.42 1rkj n GLY 7 Ca 0.08 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 1rkj n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rkj s SER 8 N -4.00 -0.31 -0.07 1.61 1.04 -1.26 -5.02 113.70 105.68 1rkj s SER 8 Ca 0.00 0.61 -0.07 0.00 0.48 0.00 0.00 55.95 56.97 1rkj s SER 8 Cb 0.00 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 1rkj s SER 8 CO 0.00 -0.11 -0.15 1.21 0.98 0.00 0.00 173.24 175.17 1rkj n GLU 9 N 3.01 0.24 0.00 4.02 4.07 -1.26 -5.06 120.64 125.66 1rkj n GLU 9 Ca -0.14 0.10 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 1rkj n GLU 9 Cb 0.58 -0.91 0.00 0.00 -0.06 0.00 0.00 31.44 31.04 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 -3.72 -0.36 -0.03 4.31 7.64 -1.26 -4.96 113.62 115.25 1rkj n SER 10 Ca -0.15 -0.63 -0.10 0.00 1.01 0.00 0.00 58.87 59.00 1rkj n SER 10 Cb 0.45 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.61 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 -1.03 1.02 -2.12 0.44 1.03 -2.00 -3.45 112.91 106.80 1rkj h THR 11 Ca 0.00 -0.07 -0.06 0.00 -0.01 0.00 0.00 66.41 66.27 1rkj h THR 11 Cb 0.00 0.80 -0.20 0.00 -1.07 0.00 0.00 68.15 67.68 1rkj h THR 11 CO 0.00 0.04 0.12 0.28 -0.01 0.00 0.00 175.52 175.95 1rkj s THR 12 N -6.18 0.01 -1.33 0.00 -1.32 -1.26 -5.02 115.64 100.54 1rkj s THR 12 Ca -0.13 -0.04 0.09 0.00 -1.21 0.00 0.00 61.69 60.40 1rkj s THR 12 Cb 0.08 -0.95 0.14 0.00 -1.51 0.00 0.00 72.50 70.26 1rkj s THR 12 CO 0.69 -0.02 1.19 -0.81 -2.21 0.00 0.00 174.62 173.46 1rkj n PRO 13 N 1.45 0.10 -2.09 7.08 -0.04 -1.26 -4.48 135.00 135.76 1rkj n PRO 13 Ca -0.18 0.24 -0.28 0.00 -0.04 0.00 0.00 63.50 63.24 1rkj n PRO 13 Cb 0.56 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.47 1rkj n PRO 13 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1rkj s PHE 14 N -2.67 1.93 0.48 0.54 0.08 -1.26 -4.90 117.98 112.17 1rkj s PHE 14 Ca 0.07 0.44 0.05 0.00 0.12 0.00 0.00 56.93 57.61 1rkj s PHE 14 Cb 0.06 -4.06 -0.02 0.00 -0.57 0.00 0.00 43.02 38.43 1rkj s PHE 14 CO 0.14 -1.46 0.14 0.54 -0.10 0.00 0.00 175.22 174.48 1rkj s ASN 15 N 7.02 4.29 -0.00 1.36 2.20 -1.26 0.33 114.94 128.88 1rkj s ASN 15 Ca 0.68 -1.36 -0.26 0.00 -0.94 0.00 0.00 52.86 50.97 1rkj s ASN 15 Cb -0.03 0.09 0.06 0.00 -2.00 0.00 0.00 41.25 39.37 1rkj s ASN 15 CO 0.07 -0.77 0.59 -0.22 -2.94 0.00 0.00 177.10 173.83 1rkj s LEU 16 N -3.95 -0.33 -0.16 3.54 0.20 0.12 -4.87 118.68 113.22 1rkj s LEU 16 Ca 0.26 0.45 -0.06 0.00 0.69 0.00 0.00 54.13 55.47 1rkj s LEU 16 Cb 0.03 2.30 -0.04 0.00 -0.43 0.00 0.00 46.19 48.05 1rkj s LEU 16 CO 0.15 -0.65 0.04 0.12 -0.29 0.00 0.00 176.35 175.71 1rkj s PHE 17 N -1.73 3.20 -0.06 5.38 2.19 -0.24 -2.02 117.98 124.71 1rkj s PHE 17 Ca -0.09 0.02 -0.02 0.00 0.33 0.00 0.00 56.93 57.17 1rkj s PHE 17 Cb -0.01 -2.01 0.04 0.00 -1.31 0.00 0.00 43.02 39.72 1rkj s PHE 17 CO 0.05 0.17 0.11 0.42 1.83 0.00 0.00 175.22 177.79 1rkj s ILE 18 N 0.18 -0.12 0.30 3.12 1.01 -0.59 0.16 121.20 125.26 1rkj s ILE 18 Ca 0.03 0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.98 1rkj s ILE 18 Cb -0.13 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 1rkj s ILE 18 CO 0.01 0.11 0.14 -0.83 0.00 0.00 0.00 174.94 174.37 1rkj s GLY 19 N 1.60 2.03 0.00 6.18 0.00 0.19 -0.53 107.32 116.79 1rkj s GLY 19 Ca -0.04 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 42.93 1rkj s GLY 19 CO -0.05 -1.62 0.00 -2.01 0.00 0.00 0.00 173.10 169.42 1rkj n ASN 20 N -0.83 0.00 -2.74 1.64 5.15 -1.26 -1.69 115.26 115.52 1rkj n ASN 20 Ca 0.00 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.72 1rkj n ASN 20 Cb 0.65 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.93 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 -1.63 -0.82 1.20 4.77 -1.26 -2.77 117.00 116.49 1rkj n LEU 21 Ca 0.00 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1rkj n LEU 21 Cb 0.00 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.02 1rkj n LEU 21 CO 0.00 0.02 0.00 -0.46 -1.33 0.00 0.00 177.39 175.62 1rkj n ASN 22 N 0.09 0.00 -3.55 -1.43 6.94 -1.26 -4.62 115.26 111.43 1rkj n ASN 22 Ca -0.07 0.00 -0.40 0.00 -0.02 0.00 0.00 54.58 54.09 1rkj n ASN 22 Cb 0.47 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.84 1rkj n ASN 22 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1rkj n PRO 23 N -0.01 1.57 0.00 -0.53 -0.04 -1.12 -3.50 135.00 131.37 1rkj n PRO 23 Ca 0.00 -1.77 0.00 0.00 -0.04 0.00 0.00 63.50 61.69 1rkj n PRO 23 Cb 0.00 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 30.63 1rkj n PRO 23 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rkj n ASN 24 N 6.95 0.00 -3.43 3.54 3.02 -1.26 -5.14 115.26 118.94 1rkj n ASN 24 Ca 0.48 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.85 1rkj n ASN 24 Cb 0.36 0.17 0.12 0.00 -0.61 0.00 0.00 39.78 39.82 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 -2.18 -0.58 -1.71 3.52 5.02 -1.23 -4.94 118.16 116.07 1rkj n LYS 25 Ca 0.00 -1.54 -0.40 0.00 -2.02 0.00 0.00 58.31 54.35 1rkj n LYS 25 Cb 0.00 -0.79 -0.03 0.00 -0.02 0.00 0.00 35.03 34.20 1rkj n LYS 25 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1rkj s SER 26 N -4.15 5.14 0.16 4.39 0.01 -1.26 -4.85 113.70 113.15 1rkj s SER 26 Ca 0.49 1.31 -0.22 0.00 1.31 0.00 0.00 55.95 58.84 1rkj s SER 26 Cb -0.02 -2.51 0.04 0.00 0.21 0.00 0.00 66.02 63.74 1rkj s SER 26 CO 0.34 -2.30 1.34 0.55 0.41 0.00 0.00 173.24 173.58 1rkj n VAL 27 N 7.72 -0.54 -0.25 3.43 3.14 -1.26 0.38 118.33 130.94 1rkj n VAL 27 Ca 0.30 2.08 0.03 0.00 -2.96 0.00 0.00 64.34 63.78 1rkj n VAL 27 Cb 0.50 -2.63 0.07 0.00 -1.06 0.00 0.00 33.84 30.72 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 -3.42 0.09 -0.07 1.55 0.00 -1.26 0.18 120.51 117.57 1rkj n ALA 28 Ca 0.04 0.74 -0.11 0.00 0.00 0.00 0.00 53.44 54.11 1rkj n ALA 28 Cb 0.27 -0.41 -0.04 0.00 0.00 0.00 0.00 19.45 19.27 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 0.35 -0.65 0.00 5.08 -0.46 -2.56 114.58 116.34 1rkj h GLU 29 Ca 0.30 -0.07 0.11 0.00 -1.00 0.00 0.00 59.36 58.70 1rkj h GLU 29 Cb 0.47 -0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.55 1rkj h GLU 29 CO -0.70 0.42 -0.38 -0.07 -1.00 0.00 0.00 179.01 177.28 1rkj h LEU 30 N 0.20 -1.33 -0.40 1.33 3.38 0.23 0.50 115.31 119.22 1rkj h LEU 30 Ca 0.07 0.25 0.06 0.00 0.09 0.00 0.00 57.88 58.35 1rkj h LEU 30 Cb 0.22 0.65 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 1rkj h LEU 30 CO -0.00 -0.31 0.07 0.07 0.09 0.00 0.00 178.44 178.36 1rkj h LYS 31 N -0.16 0.19 0.34 1.13 2.10 -1.18 -2.47 116.57 116.53 1rkj h LYS 31 Ca 0.23 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.87 1rkj h LYS 31 Cb 0.56 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.82 1rkj h LYS 31 CO -0.73 0.13 -0.37 0.28 -2.00 0.00 0.00 179.45 176.75 1rkj h VAL 32 N 0.20 0.24 -0.95 0.07 2.07 -0.22 0.11 116.25 117.77 1rkj h VAL 32 Ca 0.19 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.89 1rkj h VAL 32 Cb 0.23 0.24 -0.17 0.00 -1.52 0.00 0.00 31.29 30.07 1rkj h VAL 32 CO -0.26 0.00 -0.29 0.00 0.02 0.00 0.00 177.57 177.05 1rkj n ALA 33 N -2.69 0.10 -0.09 1.67 0.00 0.14 0.29 120.51 119.94 1rkj n ALA 33 Ca -0.10 1.01 -0.02 0.00 0.00 0.00 0.00 53.44 54.33 1rkj n ALA 33 Cb 0.37 -0.55 0.21 0.00 0.00 0.00 0.00 19.45 19.49 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 1.22 0.00 0.00 2.04 -0.98 -1.54 117.51 118.25 1rkj h ILE 34 Ca 0.41 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1rkj h ILE 34 Cb 0.65 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1rkj h ILE 34 CO -0.97 0.30 0.00 -0.24 0.00 0.00 0.00 178.15 177.25 1rkj n SER 35 N -4.27 0.00 -0.51 1.72 2.88 0.86 -0.52 113.62 113.78 1rkj n SER 35 Ca 0.03 0.59 0.41 0.00 -1.33 0.00 0.00 58.87 58.57 1rkj n SER 35 Cb 0.24 -0.14 0.66 0.00 -0.75 0.00 0.00 64.21 64.22 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 -0.93 -0.02 0.10 -1.46 -0.58 0.11 0.24 120.64 118.10 1rkj n GLU 36 Ca 0.00 1.06 -0.13 0.00 -0.42 0.00 0.00 57.16 57.67 1rkj n GLU 36 Cb 0.00 -2.22 -0.08 0.00 -0.57 0.00 0.00 31.44 28.57 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 -0.21 -2.28 -4.62 7.12 -1.05 -2.15 115.31 112.12 1rkj h LEU 37 Ca 0.81 -0.20 0.00 0.00 0.13 0.00 0.00 57.88 58.62 1rkj h LEU 37 Cb 2.89 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 43.07 1rkj h LEU 37 CO -0.25 0.09 0.13 -0.26 -0.13 0.00 0.00 178.44 178.02 1rkj h PHE 38 N -0.51 0.00 0.04 1.25 -1.00 0.57 0.69 116.94 117.98 1rkj h PHE 38 Ca -0.02 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.75 1rkj h PHE 38 Cb 0.39 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.95 1rkj h PHE 38 CO 0.01 0.00 -0.02 0.00 -1.61 0.00 0.00 178.31 176.70 1rkj h ALA 39 N 1.72 -0.05 0.00 2.45 0.00 -0.67 -3.13 119.26 119.57 1rkj h ALA 39 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1rkj h ALA 39 Cb 0.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1rkj h ALA 39 CO 0.00 -0.09 0.00 1.63 0.00 0.00 0.00 179.25 180.79 1rkj n LYS 40 N -4.73 0.43 -0.00 0.00 5.02 -0.64 -2.82 118.16 115.42 1rkj n LYS 40 Ca -0.08 0.05 0.13 0.00 -2.02 0.00 0.00 58.31 56.39 1rkj n LYS 40 Cb 0.33 -1.50 0.77 0.00 -0.02 0.00 0.00 35.03 34.61 1rkj n LYS 40 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1rkj n ASN 41 N -1.23 0.11 0.00 4.39 4.05 0.14 -4.85 115.26 117.87 1rkj n ASN 41 Ca 0.13 -1.19 0.00 0.00 0.45 0.00 0.00 54.58 53.97 1rkj n ASN 41 Cb 0.17 -0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.18 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 -0.84 -1.96 -4.04 1.20 8.00 -1.13 -4.85 116.55 112.93 1rkj n ASP 42 Ca 0.20 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.38 1rkj n ASP 42 Cb 0.11 -0.45 -0.15 0.00 -0.02 0.00 0.00 41.12 40.61 1rkj n ASP 42 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1rkj s LEU 43 N 0.00 4.41 0.63 0.64 0.05 -1.19 -4.96 118.68 118.27 1rkj s LEU 43 Ca 0.00 -1.93 0.25 0.00 0.05 0.00 0.00 54.13 52.49 1rkj s LEU 43 Cb 0.00 -1.62 1.25 0.00 -2.05 0.00 0.00 46.19 43.78 1rkj s LEU 43 CO 0.00 -0.33 1.70 0.00 -0.55 0.00 0.00 176.35 177.17 1rkj h ALA 44 N 7.68 1.92 -3.33 1.48 0.00 -1.85 -3.37 119.26 121.79 1rkj h ALA 44 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1rkj h ALA 44 Cb 1.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1rkj h ALA 44 CO 0.51 -0.74 -0.70 1.55 0.00 0.00 0.00 179.25 179.88 1rkj n VAL 45 N -3.16 -2.51 0.02 0.00 3.14 -1.26 -4.82 118.33 109.73 1rkj n VAL 45 Ca 0.05 1.22 -0.11 0.00 -2.96 0.00 0.00 64.34 62.54 1rkj n VAL 45 Cb 0.71 -1.92 -0.08 0.00 -1.06 0.00 0.00 33.84 31.49 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 0.43 1.04 -1.58 1.55 2.07 -0.97 -3.42 116.25 115.37 1rkj h VAL 46 Ca 0.00 -1.35 0.39 0.00 0.82 0.00 0.00 66.70 66.56 1rkj h VAL 46 Cb 0.55 1.79 -0.11 0.00 -1.52 0.00 0.00 31.29 32.00 1rkj h VAL 46 CO 0.00 0.29 0.98 -1.81 0.02 0.00 0.00 177.57 177.05 1rkj s ASP 47 N -5.64 -0.01 -0.04 0.57 1.11 -0.96 -5.00 116.67 106.70 1rkj s ASP 47 Ca -0.13 -0.04 -0.01 0.00 0.18 0.00 0.00 52.55 52.54 1rkj s ASP 47 Cb -0.00 0.04 0.03 0.00 1.07 0.00 0.00 42.92 44.06 1rkj s ASP 47 CO 0.51 -0.07 0.03 -0.69 1.18 0.00 0.00 175.17 176.13 1rkj s VAL 48 N -2.05 0.06 -0.04 -1.27 1.01 -1.26 -2.10 120.40 114.75 1rkj s VAL 48 Ca 0.24 0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.54 1rkj s VAL 48 Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.16 1rkj s VAL 48 CO -0.04 0.17 -0.24 -0.60 0.00 0.00 0.00 175.10 174.39 1rkj s ARG 49 N 1.69 2.38 0.29 2.72 3.52 0.20 -5.03 118.95 124.71 1rkj s ARG 49 Ca -0.01 -0.89 0.05 0.00 -0.13 0.00 0.00 55.73 54.74 1rkj s ARG 49 Cb -0.13 -2.14 -0.02 0.00 -1.56 0.00 0.00 34.95 31.10 1rkj s ARG 49 CO -0.03 0.47 0.42 0.95 -0.81 0.00 0.00 175.30 176.31 1rkj s THR 50 N -0.39 4.91 -0.52 4.11 -4.23 -1.26 0.26 115.64 118.52 1rkj s THR 50 Ca 0.03 -0.90 0.04 0.00 -1.18 0.00 0.00 61.69 59.68 1rkj s THR 50 Cb -0.12 -3.74 0.14 0.00 1.34 0.00 0.00 72.50 70.12 1rkj s THR 50 CO 0.01 -0.32 0.30 -0.83 -0.54 0.00 0.00 174.62 173.24 1rkj s GLY 51 N -4.04 2.22 0.37 3.99 0.00 0.17 -4.84 107.32 105.20 1rkj s GLY 51 Ca 0.38 -3.12 0.00 0.00 0.00 0.00 0.00 44.72 41.98 1rkj s GLY 51 CO 0.31 1.25 0.00 2.41 0.00 0.00 0.00 173.10 177.07 1rkj n THR 52 N 3.02 -1.71 -0.82 0.90 -1.04 -1.26 -2.20 114.28 111.18 1rkj n THR 52 Ca 0.10 0.88 -0.14 0.00 -2.04 0.00 0.00 64.05 62.85 1rkj n THR 52 Cb 0.34 -1.46 -0.12 0.00 -1.82 0.00 0.00 70.33 67.28 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 -2.32 -0.63 0.00 8.00 2.85 -1.26 -2.26 115.26 119.65 1rkj n ASN 53 Ca -0.01 -0.23 0.00 0.00 -0.11 0.00 0.00 54.58 54.24 1rkj n ASN 53 Cb 0.32 -0.33 0.00 0.00 1.24 0.00 0.00 39.78 41.01 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 3.31 0.00 0.00 1.20 1.74 -1.26 -4.84 116.66 116.81 1rkj n ARG 54 Ca 0.37 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 1rkj n ARG 54 Cb 0.07 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.51 1rkj n ARG 54 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1rkj n LYS 55 N 0.00 0.00 -4.16 5.56 5.02 -0.96 -4.40 118.16 119.23 1rkj n LYS 55 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 1rkj n LYS 55 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 1rkj n LYS 55 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1rkj s PHE 56 N 0.00 1.19 -0.18 2.13 2.19 -0.94 -4.41 117.98 117.97 1rkj s PHE 56 Ca 0.00 -1.35 -0.09 0.00 0.33 0.00 0.00 56.93 55.83 1rkj s PHE 56 Cb 0.00 -0.33 0.07 0.00 -1.31 0.00 0.00 43.02 41.44 1rkj s PHE 56 CO 0.00 -0.93 0.42 0.20 1.83 0.00 0.00 175.22 176.74 1rkj s GLY 57 N -3.23 -0.34 -0.06 13.12 0.00 0.31 0.45 107.32 117.57 1rkj s GLY 57 Ca 0.34 1.55 -0.03 0.00 0.00 0.00 0.00 44.72 46.58 1rkj s GLY 57 CO 0.19 1.86 0.09 -0.47 0.00 0.00 0.00 173.10 174.77 1rkj s TYR 58 N 1.67 3.37 0.08 1.90 5.04 0.14 -1.55 117.35 128.00 1rkj s TYR 58 Ca -0.08 0.31 0.04 0.00 -2.44 0.00 0.00 57.07 54.90 1rkj s TYR 58 Cb -0.09 -1.82 -0.03 0.00 0.35 0.00 0.00 41.96 40.37 1rkj s TYR 58 CO -0.13 0.60 -0.10 0.08 -1.34 0.00 0.00 175.55 174.65 1rkj s VAL 59 N -1.08 0.87 -0.02 3.14 1.01 -0.86 -0.63 120.40 122.83 1rkj s VAL 59 Ca 0.19 -1.44 0.01 0.00 0.00 0.00 0.00 61.98 60.73 1rkj s VAL 59 Cb -0.12 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.16 1rkj s VAL 59 CO 0.08 -0.45 -0.01 1.51 0.00 0.00 0.00 175.10 176.24 1rkj s ASP 60 N -2.10 0.41 0.17 3.32 1.47 -0.89 0.13 116.67 119.17 1rkj s ASP 60 Ca 0.00 -0.03 0.01 0.00 1.18 0.00 0.00 52.55 53.70 1rkj s ASP 60 Cb -0.06 -0.19 -0.04 0.00 -0.34 0.00 0.00 42.92 42.29 1rkj s ASP 60 CO 0.00 -0.07 0.33 -0.36 0.68 0.00 0.00 175.17 175.75 1rkj s PHE 61 N 0.77 3.49 -0.51 2.11 0.40 0.15 -0.46 117.98 123.93 1rkj s PHE 61 Ca -0.08 0.23 0.01 0.00 -0.60 0.00 0.00 56.93 56.49 1rkj s PHE 61 Cb -0.11 -1.76 0.50 0.00 0.51 0.00 0.00 43.02 42.16 1rkj s PHE 61 CO -0.01 0.46 1.94 -0.85 0.70 0.00 0.00 175.22 177.46 1rkj n GLU 62 N -0.53 2.34 0.00 0.44 0.28 -1.26 -4.39 120.64 117.51 1rkj n GLU 62 Ca -0.06 -2.85 0.00 0.00 -0.16 0.00 0.00 57.16 54.09 1rkj n GLU 62 Cb 0.54 -2.12 0.00 0.00 1.43 0.00 0.00 31.44 31.29 1rkj n GLU 62 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1rkj n SER 63 N -0.83 0.00 0.03 -1.84 3.41 -1.26 -4.96 113.62 108.17 1rkj n SER 63 Ca 0.56 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 59.11 1rkj n SER 63 Cb 1.08 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.92 1rkj n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rkj h ALA 64 N 0.00 0.59 -0.07 7.33 0.00 -2.00 -3.24 119.26 121.87 1rkj h ALA 64 Ca 0.00 -1.11 -0.19 0.00 0.00 0.00 0.00 54.91 53.61 1rkj h ALA 64 Cb 0.00 0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1rkj h ALA 64 CO 0.00 1.31 -0.72 1.49 0.00 0.00 0.00 179.25 181.33 1rkj h GLU 65 N 0.00 0.61 -0.78 0.00 4.57 -1.99 -2.52 114.58 114.46 1rkj h GLU 65 Ca -0.14 -0.56 0.01 0.00 -1.18 0.00 0.00 59.36 57.48 1rkj h GLU 65 Cb 1.82 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 30.51 1rkj h GLU 65 CO 0.09 1.18 0.52 -0.44 -1.18 0.00 0.00 179.01 179.18 1rkj h ASP 66 N 0.23 0.89 0.17 1.04 5.19 -1.94 -1.81 116.42 120.20 1rkj h ASP 66 Ca -0.07 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.31 1rkj h ASP 66 Cb 1.38 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.66 1rkj h ASP 66 CO 0.14 0.65 -0.08 0.25 -3.12 0.00 0.00 179.24 177.08 1rkj h LEU 67 N 1.05 -0.19 -0.69 1.55 6.46 -1.57 -1.48 115.31 120.44 1rkj h LEU 67 Ca 0.29 -0.29 0.14 0.00 -0.12 0.00 0.00 57.88 57.90 1rkj h LEU 67 Cb -0.12 0.05 -0.10 0.00 -0.73 0.00 0.00 40.66 39.76 1rkj h LEU 67 CO -0.06 0.22 0.16 -0.33 -0.62 0.00 0.00 178.44 177.80 1rkj h GLU 68 N -0.63 0.26 0.55 1.25 5.08 -1.22 -1.52 114.58 118.35 1rkj h GLU 68 Ca -0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1rkj h GLU 68 Cb 0.47 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.66 1rkj h GLU 68 CO 0.04 0.18 -0.27 0.87 -1.00 0.00 0.00 179.01 178.83 1rkj h LYS 69 N 0.27 -0.72 -1.52 2.33 6.56 -1.33 -1.24 116.57 120.92 1rkj h LYS 69 Ca 0.38 0.05 0.44 0.00 -1.06 0.00 0.00 60.65 60.46 1rkj h LYS 69 Cb 0.61 0.16 -0.06 0.00 -0.57 0.00 0.00 32.23 32.37 1rkj h LYS 69 CO -0.47 -0.48 1.24 0.00 -2.06 0.00 0.00 179.45 177.69 1rkj h ALA 70 N -1.53 3.43 0.07 3.86 0.00 -0.97 2.18 119.26 126.30 1rkj h ALA 70 Ca -0.08 -0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.50 1rkj h ALA 70 Cb 0.57 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1rkj h ALA 70 CO 0.13 -2.03 -1.42 1.25 0.00 0.00 0.00 179.25 177.17 1rkj h LEU 71 N 0.00 0.23 0.00 0.00 6.46 -1.02 -3.30 115.31 117.68 1rkj h LEU 71 Ca 0.72 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 58.17 1rkj h LEU 71 Cb 3.20 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 43.06 1rkj h LEU 71 CO -0.01 1.26 -0.02 -0.33 -0.62 0.00 0.00 178.44 178.73 1rkj h GLU 72 N 0.04 0.00 -4.36 1.25 4.39 0.46 -3.38 114.58 112.97 1rkj h GLU 72 Ca -0.19 0.00 -0.71 0.00 0.34 0.00 0.00 59.36 58.80 1rkj h GLU 72 Cb 1.95 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.54 1rkj h GLU 72 CO 0.14 0.00 2.81 1.28 -1.16 0.00 0.00 179.01 182.08 1rkj n LEU 73 N -3.08 6.41 -0.49 1.33 4.77 0.12 -4.77 117.00 121.29 1rkj n LEU 73 Ca 0.04 -4.15 0.40 0.00 -0.03 0.00 0.00 56.01 52.27 1rkj n LEU 73 Cb 0.53 -1.66 0.69 0.00 -2.33 0.00 0.00 43.42 40.64 1rkj n LEU 73 CO 0.34 0.93 1.28 0.74 -1.33 0.00 0.00 177.39 179.34 1rkj h THR 74 N 4.32 0.09 -1.60 -5.08 2.02 -1.85 0.90 112.91 111.71 1rkj h THR 74 Ca 0.52 -0.02 0.46 0.00 0.77 0.00 0.00 66.41 68.15 1rkj h THR 74 Cb 0.69 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.07 1rkj h THR 74 CO 1.76 0.01 1.23 0.61 0.37 0.00 0.00 175.52 179.50 1rkj n GLY 75 N -1.59 -0.84 2.66 2.16 0.00 -1.26 -4.58 105.19 101.74 1rkj n GLY 75 Ca 0.39 0.56 -0.48 0.00 0.00 0.00 0.00 46.02 46.49 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 -3.57 0.84 -3.60 0.99 4.77 0.31 -4.89 117.00 111.85 1rkj n LEU 76 Ca 0.36 0.85 -0.07 0.00 -0.03 0.00 0.00 56.01 57.12 1rkj n LEU 76 Cb 1.71 -0.63 -0.04 0.00 -2.33 0.00 0.00 43.42 42.13 1rkj n LEU 76 CO 0.36 -0.61 0.93 -0.54 -1.33 0.00 0.00 177.39 176.20 1rkj s LYS 77 N 2.08 0.39 -0.26 3.23 1.02 -1.26 -4.55 119.74 120.39 1rkj s LYS 77 Ca 0.74 0.04 -0.03 0.00 0.02 0.00 0.00 55.97 56.75 1rkj s LYS 77 Cb -1.06 0.18 0.02 0.00 -0.52 0.00 0.00 37.83 36.45 1rkj s LYS 77 CO 0.58 -0.13 -0.03 0.54 -0.92 0.00 0.00 175.35 175.39 1rkj s VAL 78 N -1.36 3.11 -1.14 3.17 0.11 -0.06 -4.73 120.40 119.50 1rkj s VAL 78 Ca 0.04 -0.94 -0.22 0.00 -2.93 0.00 0.00 61.98 57.93 1rkj s VAL 78 Cb -0.01 -2.58 -0.01 0.00 -1.53 0.00 0.00 36.38 32.25 1rkj s VAL 78 CO -0.03 0.18 0.79 0.49 -3.33 0.00 0.00 175.10 173.20 1rkj n PHE 79 N 4.71 -1.89 -1.68 1.54 3.72 -1.26 -0.27 117.46 122.33 1rkj n PHE 79 Ca -0.16 0.43 -0.14 0.00 -0.05 0.00 0.00 57.45 57.52 1rkj n PHE 79 Cb 0.47 -3.40 -0.05 0.00 -0.94 0.00 0.00 39.48 35.56 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 -1.70 0.89 3.18 1.37 0.00 -1.26 -4.93 105.19 102.74 1rkj n GLY 80 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.18 3.31 0.23 1.61 0.02 0.63 -5.10 114.94 113.45 1rkj s ASN 81 Ca 0.00 -0.58 -0.30 0.00 -1.02 0.00 0.00 52.86 50.95 1rkj s ASN 81 Cb 0.00 -1.50 -0.10 0.00 0.02 0.00 0.00 41.25 39.67 1rkj s ASN 81 CO 0.00 0.04 1.46 -0.70 0.02 0.00 0.00 177.10 177.92 1rkj s GLU 82 N 1.08 4.26 0.33 -0.60 2.12 -1.26 -0.88 118.70 123.75 1rkj s GLU 82 Ca -0.00 2.30 0.05 0.00 0.36 0.00 0.00 54.97 57.67 1rkj s GLU 82 Cb -0.14 -3.12 0.05 0.00 0.26 0.00 0.00 34.13 31.17 1rkj s GLU 82 CO -0.07 -0.45 0.38 0.44 -0.54 0.00 0.00 175.26 175.02 1rkj n ILE 83 N 2.71 0.00 -4.00 -3.70 -5.35 -1.26 -4.67 119.36 103.08 1rkj n ILE 83 Ca 0.08 -1.20 -0.30 0.00 -0.27 0.00 0.00 62.75 61.06 1rkj n ILE 83 Cb 0.40 -0.53 -0.16 0.00 -1.74 0.00 0.00 39.64 37.61 1rkj n ILE 83 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1rkj s LYS 84 N -3.46 2.13 -0.28 6.28 2.20 -0.68 -4.98 119.74 120.94 1rkj s LYS 84 Ca 0.29 -0.70 -0.12 0.00 -0.36 0.00 0.00 55.97 55.08 1rkj s LYS 84 Cb -0.02 -2.25 -0.05 0.00 -1.51 0.00 0.00 37.83 34.00 1rkj s LYS 84 CO 0.19 -0.34 0.25 -0.51 -0.36 0.00 0.00 175.35 174.57 1rkj s LEU 85 N 1.45 4.03 0.40 5.43 1.02 -1.26 -0.64 118.68 129.11 1rkj s LEU 85 Ca 0.02 0.08 0.04 0.00 0.02 0.00 0.00 54.13 54.29 1rkj s LEU 85 Cb -0.15 -2.21 -0.04 0.00 0.02 0.00 0.00 46.19 43.81 1rkj s LEU 85 CO -0.09 -0.09 0.06 -1.61 0.02 0.00 0.00 176.35 174.63 1rkj s GLU 86 N 1.85 1.89 0.06 1.70 2.02 0.12 -4.98 118.70 121.38 1rkj s GLU 86 Ca 0.09 -2.12 -0.05 0.00 0.02 0.00 0.00 54.97 52.92 1rkj s GLU 86 Cb -0.16 -1.07 -0.05 0.00 0.10 0.00 0.00 34.13 32.96 1rkj s GLU 86 CO 0.11 -0.28 0.29 -1.59 0.02 0.00 0.00 175.26 173.81 1rkj s LYS 87 N -3.81 3.56 1.01 1.61 -2.85 -1.26 -1.08 119.74 116.92 1rkj s LYS 87 Ca 0.26 -0.16 -0.21 0.00 -1.00 0.00 0.00 55.97 54.86 1rkj s LYS 87 Cb 0.06 -2.99 -0.14 0.00 -2.06 0.00 0.00 37.83 32.70 1rkj s LYS 87 CO 0.13 0.58 -0.96 -2.30 0.10 0.00 0.00 175.35 172.90 1rkj n PRO 88 N 0.60 -0.14 -0.01 1.78 -0.02 -1.26 -4.77 135.00 131.17 1rkj n PRO 88 Ca -0.07 -0.04 -0.01 0.00 -2.02 0.00 0.00 63.50 61.37 1rkj n PRO 88 Cb 0.52 -1.12 -0.01 0.00 -0.02 0.00 0.00 33.50 32.87 1rkj n PRO 88 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1rkj n LYS 89 N 1.83 2.42 0.00 -0.52 4.76 -1.26 -5.06 118.16 120.33 1rkj n LYS 89 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1rkj n LYS 89 Cb 0.64 -1.03 0.00 0.00 -1.84 0.00 0.00 35.03 32.80 1rkj n LYS 89 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1rkj n GLY 90 N 3.11 -0.01 1.70 0.72 0.00 -1.26 -5.08 105.19 104.36 1rkj n GLY 90 Ca -0.02 -1.40 0.09 0.00 0.00 0.00 0.00 46.02 44.69 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 0.80 -1.26 -3.60 1.61 3.00 -1.26 -4.91 116.66 111.04 1rkj n ARG 91 Ca 0.00 0.83 -0.18 0.00 -0.01 0.00 0.00 57.85 58.49 1rkj n ARG 91 Cb 0.00 -1.54 -0.14 0.00 0.00 0.00 0.00 32.46 30.78 1rkj n ARG 91 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 1rkj s ASP 92 N -4.54 1.04 -0.13 0.55 1.47 -1.26 -5.02 116.67 108.78 1rkj s ASP 92 Ca 0.00 0.10 0.03 0.00 1.18 0.00 0.00 52.55 53.85 1rkj s ASP 92 Cb 0.00 0.34 -0.24 0.00 -0.34 0.00 0.00 42.92 42.69 1rkj s ASP 92 CO 0.00 -0.28 0.30 -1.20 0.68 0.00 0.00 175.17 174.67 1rkj n SER 93 N 5.32 1.53 -4.87 2.11 7.64 -1.26 -4.74 113.62 119.36 1rkj n SER 93 Ca -0.05 0.17 -0.31 0.00 1.01 0.00 0.00 58.87 59.69 1rkj n SER 93 Cb 0.50 -0.36 0.01 0.00 -1.01 0.00 0.00 64.21 63.34 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 -2.55 3.62 0.00 1.43 -0.14 -1.26 -3.76 119.74 117.08 1rkj s LYS 94 Ca -0.19 0.75 0.00 0.00 -1.36 0.00 0.00 55.97 55.17 1rkj s LYS 94 Cb 0.07 -2.09 0.00 0.00 -1.68 0.00 0.00 37.83 34.13 1rkj s LYS 94 CO 0.76 -0.54 0.00 1.17 -0.76 0.00 0.00 175.35 175.98 1rkj n LYS 95 N -2.65 0.00 0.00 1.68 3.00 -1.26 -4.48 118.16 114.45 1rkj n LYS 95 Ca 0.06 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.42 1rkj n LYS 95 Cb 0.54 0.00 0.26 0.00 0.00 0.00 0.00 35.03 35.83 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 0.94 0.00 3.15 0.31 -1.26 -4.85 118.33 116.62 1rkj n VAL 96 Ca 0.00 0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1rkj n VAL 96 Cb 0.00 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 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 -1.37 0.00 0.00 5.55 1.74 -1.25 -2.15 116.66 119.18 1rkj n ARG 97 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1rkj n ARG 97 Cb 0.11 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.55 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 0.33 0.00 -1.03 7.54 0.00 -1.26 -4.93 120.51 121.16 1rkj n ALA 98 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1rkj n ALA 98 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.66 -2.92 0.00 0.00 -0.91 -2.57 120.51 111.45 1rkj n ALA 99 Ca 0.00 0.41 -0.04 0.00 0.00 0.00 0.00 53.44 53.80 1rkj n ALA 99 Cb 0.00 -1.21 0.02 0.00 0.00 0.00 0.00 19.45 18.26 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 1.02 -1.43 -4.23 0.00 1.74 -1.16 -4.88 116.66 107.72 1rkj n ARG 100 Ca 0.14 1.17 -0.13 0.00 -0.77 0.00 0.00 57.85 58.26 1rkj n ARG 100 Cb 0.06 -5.27 -0.10 0.00 -1.02 0.00 0.00 32.46 26.13 1rkj n ARG 100 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1rkj s THR 101 N -3.11 0.14 -0.17 0.55 -4.23 -0.37 -1.91 115.64 106.54 1rkj s THR 101 Ca 0.14 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.61 1rkj s THR 101 Cb -0.02 -2.52 0.08 0.00 1.34 0.00 0.00 72.50 71.38 1rkj s THR 101 CO 0.66 -0.01 0.19 -1.48 -0.54 0.00 0.00 174.62 173.44 1rkj s LEU 102 N -3.19 -0.05 -0.27 4.79 -0.00 -0.51 -1.76 118.68 117.68 1rkj s LEU 102 Ca 0.38 -0.10 -0.12 0.00 -0.00 0.00 0.00 54.13 54.28 1rkj s LEU 102 Cb 0.07 0.30 -0.05 0.00 -0.00 0.00 0.00 46.19 46.51 1rkj s LEU 102 CO 0.12 -0.31 0.26 -0.22 -0.00 0.00 0.00 176.35 176.20 1rkj s LEU 103 N 2.30 4.03 -0.34 1.48 2.96 -0.64 0.23 118.68 128.70 1rkj s LEU 103 Ca 0.05 0.11 -0.14 0.00 -0.22 0.00 0.00 54.13 53.93 1rkj s LEU 103 Cb -0.15 -2.23 -0.01 0.00 0.50 0.00 0.00 46.19 44.30 1rkj s LEU 103 CO -0.10 -0.09 0.31 0.00 -1.32 0.00 0.00 176.35 175.14 1rkj s ALA 104 N 1.82 3.50 0.54 5.97 0.00 0.16 -1.20 121.76 132.55 1rkj s ALA 104 Ca 0.10 -1.31 0.07 0.00 0.00 0.00 0.00 51.96 50.82 1rkj s ALA 104 Cb -0.16 -2.76 0.06 0.00 0.00 0.00 0.00 23.12 20.27 1rkj s ALA 104 CO 0.10 -1.04 0.75 0.15 0.00 0.00 0.00 175.76 175.72 1rkj s LYS 105 N 1.87 2.41 -0.21 0.00 3.01 0.14 0.37 119.74 127.34 1rkj s LYS 105 Ca 0.09 -1.36 -0.00 0.00 -1.01 0.00 0.00 55.97 53.69 1rkj s LYS 105 Cb -0.17 -2.62 0.00 0.00 -1.01 0.00 0.00 37.83 34.03 1rkj s LYS 105 CO 0.11 -0.74 0.01 0.09 0.51 0.00 0.00 175.35 175.33 1rkj n ASN 106 N -2.21 -7.56 -3.78 2.83 4.13 -1.20 0.35 115.26 107.81 1rkj n ASN 106 Ca 0.12 1.09 -0.14 0.00 1.68 0.00 0.00 54.58 57.34 1rkj n ASN 106 Cb 0.60 -4.10 -0.15 0.00 -1.54 0.00 0.00 39.78 34.60 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 -1.44 1.11 0.54 3.41 1.02 -0.78 -3.91 118.68 118.63 1rkj s LEU 107 Ca 0.00 0.16 -0.20 0.00 0.02 0.00 0.00 54.13 54.11 1rkj s LEU 107 Cb -0.00 0.17 -0.05 0.00 0.02 0.00 0.00 46.19 46.33 1rkj s LEU 107 CO 0.53 -0.11 1.20 -0.55 0.02 0.00 0.00 176.35 177.44 1rkj s SER 108 N 0.85 5.56 -0.81 2.29 0.15 -1.26 -4.54 113.70 115.94 1rkj s SER 108 Ca -0.07 2.39 -0.06 0.00 0.70 0.00 0.00 55.95 58.91 1rkj s SER 108 Cb -0.09 -2.60 -0.10 0.00 -1.71 0.00 0.00 66.02 61.52 1rkj s SER 108 CO -0.03 -1.34 2.46 0.49 1.20 0.00 0.00 173.24 176.02 1rkj n PHE 109 N -1.15 1.20 0.00 3.44 3.72 -1.26 -3.11 117.46 120.30 1rkj n PHE 109 Ca 0.11 -1.95 0.00 0.00 -0.05 0.00 0.00 57.45 55.56 1rkj n PHE 109 Cb 0.49 -1.73 0.00 0.00 -0.94 0.00 0.00 39.48 37.30 1rkj n PHE 109 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1rkj n ASN 110 N 3.62 0.00 -3.81 4.37 5.15 -1.26 -5.14 115.26 118.19 1rkj n ASN 110 Ca 0.48 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 54.11 1rkj n ASN 110 Cb 0.30 0.30 0.04 0.00 -0.53 0.00 0.00 39.78 39.88 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 -2.29 0.00 -3.63 -1.44 2.08 -1.18 -5.01 119.36 107.89 1rkj n ILE 111 Ca 0.00 -0.32 -0.13 0.00 0.56 0.00 0.00 62.75 62.86 1rkj n ILE 111 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 38.83 1rkj n ILE 111 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1rkj s THR 112 N -1.91 0.05 0.33 1.39 -1.32 -1.26 -5.01 115.64 107.91 1rkj s THR 112 Ca 0.37 -0.40 0.27 0.00 -1.21 0.00 0.00 61.69 60.72 1rkj s THR 112 Cb -0.08 -0.98 0.41 0.00 -1.51 0.00 0.00 72.50 70.34 1rkj s THR 112 CO 0.74 -0.22 1.04 -0.62 -2.21 0.00 0.00 174.62 173.35 1rkj n GLU 113 N 0.41 -0.01 0.15 7.08 1.02 -1.26 0.18 120.64 128.20 1rkj n GLU 113 Ca -0.18 0.79 -0.14 0.00 -0.02 0.00 0.00 57.16 57.60 1rkj n GLU 113 Cb 0.60 -1.66 -0.07 0.00 -0.02 0.00 0.00 31.44 30.29 1rkj n GLU 113 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1rkj h ASP 114 N 0.00 -1.02 -0.52 1.62 5.19 -1.98 0.31 116.42 120.01 1rkj h ASP 114 Ca 0.61 0.11 -0.10 0.00 -0.62 0.00 0.00 57.03 57.02 1rkj h ASP 114 Cb 2.18 0.37 -0.02 0.00 0.18 0.00 0.00 39.33 42.04 1rkj h ASP 114 CO -0.18 -0.46 -0.08 -0.33 -3.12 0.00 0.00 179.24 175.07 1rkj h GLU 115 N -0.64 0.97 0.00 3.56 4.39 0.14 -0.73 114.58 122.27 1rkj h GLU 115 Ca 0.01 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1rkj h GLU 115 Cb 0.64 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1rkj h GLU 115 CO -0.16 1.02 0.00 1.28 -1.16 0.00 0.00 179.01 179.99 1rkj n LEU 116 N -4.21 0.00 -0.16 1.33 4.32 -0.66 -1.41 117.00 116.21 1rkj n LEU 116 Ca 0.01 0.78 0.29 0.00 -0.02 0.00 0.00 56.01 57.07 1rkj n LEU 116 Cb 0.38 -0.28 0.72 0.00 -1.62 0.00 0.00 43.42 42.62 1rkj n LEU 116 CO 0.44 -0.28 1.26 0.07 -1.22 0.00 0.00 177.39 177.67 1rkj h LYS 117 N 0.00 0.00 -0.95 3.23 5.09 -0.49 0.57 116.57 124.02 1rkj h LYS 117 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 60.65 60.81 1rkj h LYS 117 Cb 0.00 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 32.27 1rkj h LYS 117 CO 0.00 0.00 0.61 1.49 -2.09 0.00 0.00 179.45 179.46 1rkj h GLU 118 N 0.00 1.05 0.00 0.07 4.57 -0.06 1.67 114.58 121.88 1rkj h GLU 118 Ca 0.42 -0.06 -0.17 0.00 -1.18 0.00 0.00 59.36 58.36 1rkj h GLU 118 Cb 1.83 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 30.15 1rkj h GLU 118 CO -0.00 0.69 -1.13 -0.24 -1.18 0.00 0.00 179.01 177.15 1rkj h VAL 119 N 1.08 0.81 -1.49 0.32 3.04 0.13 -3.42 116.25 116.73 1rkj h VAL 119 Ca 0.41 -2.34 -0.34 0.00 -1.01 0.00 0.00 66.70 63.42 1rkj h VAL 119 Cb 0.20 2.31 -0.25 0.00 -2.01 0.00 0.00 31.29 31.53 1rkj h VAL 119 CO -0.16 0.46 -0.70 2.22 -1.01 0.00 0.00 177.57 178.38 1rkj n PHE 120 N -3.07 -2.56 1.71 3.17 1.16 -0.60 -4.88 117.46 112.38 1rkj n PHE 120 Ca -0.06 -2.22 0.15 0.00 -1.87 0.00 0.00 57.45 53.46 1rkj n PHE 120 Cb 0.85 0.95 0.85 0.00 -1.61 0.00 0.00 39.48 40.52 1rkj n PHE 120 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1rkj n GLU 121 N 2.74 0.71 0.13 3.97 2.13 0.56 -3.20 120.64 127.68 1rkj n GLU 121 Ca 0.22 -0.00 0.13 0.00 0.66 0.00 0.00 57.16 58.16 1rkj n GLU 121 Cb 0.53 -1.50 0.46 0.00 0.27 0.00 0.00 31.44 31.21 1rkj n GLU 121 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1rkj h ASP 122 N 0.01 0.00 -2.88 4.31 5.19 -1.93 -3.44 116.42 117.67 1rkj h ASP 122 Ca 0.00 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.88 1rkj h ASP 122 Cb 0.15 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.68 1rkj h ASP 122 CO 0.00 0.00 0.83 0.00 -3.12 0.00 0.00 179.24 176.95 1rkj s ALA 123 N -3.26 3.63 0.22 3.45 0.00 -1.19 -4.88 121.76 119.73 1rkj s ALA 123 Ca 0.06 1.10 0.14 0.00 0.00 0.00 0.00 51.96 53.26 1rkj s ALA 123 Cb 0.10 -3.60 0.49 0.00 0.00 0.00 0.00 23.12 20.12 1rkj s ALA 123 CO 0.48 -0.83 1.66 -0.07 0.00 0.00 0.00 175.76 177.01 1rkj h LEU 124 N 7.65 0.00 -7.79 0.00 3.38 -1.82 -3.44 115.31 113.29 1rkj h LEU 124 Ca -0.41 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.19 1rkj h LEU 124 Cb 1.20 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.63 1rkj h LEU 124 CO 0.90 0.51 -0.76 -1.61 0.09 0.00 0.00 178.44 177.56 1rkj s GLU 125 N -3.60 0.61 -0.09 1.13 2.02 -0.90 -5.05 118.70 112.82 1rkj s GLU 125 Ca -0.01 -0.12 0.02 0.00 0.02 0.00 0.00 54.97 54.88 1rkj s GLU 125 Cb 0.12 -0.63 0.02 0.00 0.10 0.00 0.00 34.13 33.73 1rkj s GLU 125 CO 0.73 -0.01 -0.13 0.42 0.02 0.00 0.00 175.26 176.29 1rkj s ILE 126 N 0.52 1.26 -0.05 -1.63 1.01 -1.26 -0.70 121.20 120.35 1rkj s ILE 126 Ca -0.06 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 1rkj s ILE 126 Cb -0.10 -1.17 0.03 0.00 0.01 0.00 0.00 42.46 41.23 1rkj s ILE 126 CO -0.00 0.39 0.01 -0.13 0.00 0.00 0.00 174.94 175.21 1rkj s ARG 127 N 0.93 0.38 -0.19 2.79 0.52 -0.09 -5.02 118.95 118.27 1rkj s ARG 127 Ca -0.09 0.13 -0.08 0.00 -0.52 0.00 0.00 55.73 55.16 1rkj s ARG 127 Cb -0.15 -0.68 -0.04 0.00 0.52 0.00 0.00 34.95 34.59 1rkj s ARG 127 CO 0.00 -0.22 0.09 -1.17 0.02 0.00 0.00 175.30 174.02 1rkj s LEU 128 N 1.54 3.97 -0.54 2.53 0.20 -1.26 -0.35 118.68 124.76 1rkj s LEU 128 Ca -0.02 0.14 -0.03 0.00 0.69 0.00 0.00 54.13 54.91 1rkj s LEU 128 Cb -0.13 -2.01 0.14 0.00 -0.43 0.00 0.00 46.19 43.76 1rkj s LEU 128 CO -0.03 0.18 0.34 -0.69 -0.29 0.00 0.00 176.35 175.87 1rkj s VAL 129 N 0.33 3.52 -0.35 1.68 1.01 0.14 -4.91 120.40 121.82 1rkj s VAL 129 Ca 0.05 -2.63 0.15 0.00 0.00 0.00 0.00 61.98 59.55 1rkj s VAL 129 Cb -0.12 -3.34 0.41 0.00 0.00 0.00 0.00 36.38 33.34 1rkj s VAL 129 CO -0.01 -0.80 0.90 -1.20 0.00 0.00 0.00 175.10 173.99 1rkj n SER 130 N 3.89 0.93 0.00 3.32 7.64 -1.26 -1.94 113.62 126.20 1rkj n SER 130 Ca 0.04 -2.83 0.00 0.00 1.01 0.00 0.00 58.87 57.08 1rkj n SER 130 Cb 0.39 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1rkj n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rkj n GLN 131 N 0.05 0.00 -3.33 1.43 6.02 -1.26 -4.06 117.38 116.24 1rkj n GLN 131 Ca 0.14 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.93 1rkj n GLN 131 Cb 0.76 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.98 1rkj n GLN 131 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1rkj n ASP 132 N -1.00 -1.30 0.00 1.08 -0.08 -1.26 0.14 116.55 114.13 1rkj n ASP 132 Ca 0.00 -0.34 0.00 0.00 -1.51 0.00 0.00 54.79 52.94 1rkj n ASP 132 Cb 0.00 -1.20 0.00 0.00 2.34 0.00 0.00 41.12 42.26 1rkj n ASP 132 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rkj n GLY 133 N -0.74 3.04 2.31 0.27 0.00 -1.26 -4.77 105.19 104.04 1rkj n GLY 133 Ca 0.06 -0.84 -0.17 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 0.93 -0.77 1.61 5.02 0.38 -5.13 118.16 120.19 1rkj n LYS 134 Ca 0.00 -3.01 0.09 0.00 -2.02 0.00 0.00 58.31 53.37 1rkj n LYS 134 Cb 0.00 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.49 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 0.56 -3.96 0.19 4.39 7.64 0.38 -4.81 113.62 118.01 1rkj n SER 135 Ca 0.20 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1rkj n SER 135 Cb 0.64 -2.55 0.00 0.00 -1.01 0.00 0.00 64.21 61.29 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 -2.55 0.00 -0.03 1.43 3.00 -1.26 -4.04 118.16 114.71 1rkj n LYS 136 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1rkj n LYS 136 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.61 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 0.25 1.44 3.00 3.14 0.00 -1.17 -4.99 105.19 106.86 1rkj n GLY 137 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.01 0.02 -0.27 -0.61 1.01 -0.82 -1.87 121.20 116.66 1rkj s ILE 138 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.47 1rkj s ILE 138 Cb 0.00 -0.21 0.07 0.00 0.01 0.00 0.00 42.46 42.33 1rkj s ILE 138 CO 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 174.94 174.77 1rkj s ALA 139 N -0.32 2.37 -0.17 9.38 0.00 0.16 0.25 121.76 133.42 1rkj s ALA 139 Ca -0.04 -1.74 -0.11 0.00 0.00 0.00 0.00 51.96 50.07 1rkj s ALA 139 Cb -0.03 -1.60 -0.05 0.00 0.00 0.00 0.00 23.12 21.45 1rkj s ALA 139 CO 0.00 -1.30 0.19 -0.47 0.00 0.00 0.00 175.76 174.19 1rkj s TYR 140 N 1.19 3.46 0.40 0.00 6.14 0.52 0.36 117.35 129.42 1rkj s TYR 140 Ca -0.04 0.46 0.07 0.00 0.64 0.00 0.00 57.07 58.20 1rkj s TYR 140 Cb -0.19 -2.20 -0.08 0.00 0.42 0.00 0.00 41.96 39.91 1rkj s TYR 140 CO -0.07 0.34 -0.00 0.42 0.64 0.00 0.00 175.55 176.88 1rkj s ILE 141 N 0.18 2.00 -0.03 3.14 1.09 0.14 -0.92 121.20 126.80 1rkj s ILE 141 Ca 0.12 -2.03 -0.05 0.00 -1.10 0.00 0.00 60.65 57.59 1rkj s ILE 141 Cb -0.12 -2.93 0.01 0.00 -1.06 0.00 0.00 42.46 38.35 1rkj s ILE 141 CO 0.01 -0.03 0.12 -0.70 -0.10 0.00 0.00 174.94 174.24 1rkj s GLU 142 N -3.70 0.26 0.41 2.79 2.12 0.12 -1.43 118.70 119.26 1rkj s GLU 142 Ca 0.35 -0.04 0.07 0.00 0.36 0.00 0.00 54.97 55.71 1rkj s GLU 142 Cb 0.09 0.11 -0.08 0.00 0.26 0.00 0.00 34.13 34.51 1rkj s GLU 142 CO 0.18 -0.05 0.02 -0.06 -0.54 0.00 0.00 175.26 174.81 1rkj s PHE 143 N -0.45 2.52 -2.46 5.30 0.40 -0.80 -2.13 117.98 120.36 1rkj s PHE 143 Ca -0.05 -0.66 0.24 0.00 -0.60 0.00 0.00 56.93 55.85 1rkj s PHE 143 Cb -0.03 -1.78 0.75 0.00 0.51 0.00 0.00 43.02 42.46 1rkj s PHE 143 CO 0.00 0.44 1.56 0.36 0.70 0.00 0.00 175.22 178.29 1rkj n LYS 144 N -0.98 1.87 -3.61 0.44 2.85 -1.26 -4.61 118.16 112.86 1rkj n LYS 144 Ca -0.05 -1.29 -0.05 0.00 -1.05 0.00 0.00 58.31 55.87 1rkj n LYS 144 Cb 0.67 -1.45 -0.02 0.00 -0.65 0.00 0.00 35.03 33.59 1rkj n LYS 144 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1rkj s SER 145 N -1.76 -0.22 0.43 -5.58 0.15 -1.26 -5.02 113.70 100.45 1rkj s SER 145 Ca 0.35 -0.14 0.26 0.00 0.70 0.00 0.00 55.95 57.11 1rkj s SER 145 Cb 0.20 0.33 0.64 0.00 -1.71 0.00 0.00 66.02 65.48 1rkj s SER 145 CO 0.30 -0.58 1.71 -0.08 1.20 0.00 0.00 173.24 175.80 1rkj h GLU 146 N 2.00 0.00 0.49 5.44 4.81 -1.92 -3.13 114.58 122.27 1rkj h GLU 146 Ca -0.22 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 1rkj h GLU 146 Cb 1.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1rkj h GLU 146 CO 0.27 0.00 -0.33 0.00 -0.73 0.00 0.00 179.01 178.22 1rkj h ALA 147 N 2.08 -0.80 0.00 2.92 0.00 -1.99 0.35 119.26 121.81 1rkj h ALA 147 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1rkj h ALA 147 Cb 0.84 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1rkj h ALA 147 CO 0.00 -0.97 -0.22 -0.44 0.00 0.00 0.00 179.25 177.62 1rkj h ASP 148 N -0.79 0.00 -0.04 0.00 5.19 -1.99 -2.43 116.42 116.36 1rkj h ASP 148 Ca -0.05 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.32 1rkj h ASP 148 Cb 0.66 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.17 1rkj h ASP 148 CO 0.03 0.22 -0.11 0.00 -3.12 0.00 0.00 179.24 176.27 1rkj h ALA 149 N 1.78 0.07 0.04 3.45 0.00 -1.40 -1.82 119.26 121.37 1rkj h ALA 149 Ca -0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1rkj h ALA 149 Cb 0.83 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1rkj h ALA 149 CO 0.03 -0.05 -0.02 1.49 0.00 0.00 0.00 179.25 180.70 1rkj h GLU 150 N -0.40 -0.05 0.62 0.00 4.57 -0.31 -0.96 114.58 118.04 1rkj h GLU 150 Ca -0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1rkj h GLU 150 Cb 0.72 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.32 1rkj h GLU 150 CO 0.02 0.29 -0.39 -0.22 -1.18 0.00 0.00 179.01 177.54 1rkj h LYS 151 N -0.40 -0.91 -0.41 1.92 3.64 -1.55 0.17 116.57 119.04 1rkj h LYS 151 Ca -0.01 0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.52 1rkj h LYS 151 Cb 0.36 0.21 -0.08 0.00 -0.41 0.00 0.00 32.23 32.31 1rkj h LYS 151 CO 0.01 -0.61 -0.11 -0.91 -2.27 0.00 0.00 179.45 175.56 1rkj h ASN 152 N -0.95 -0.41 -0.54 4.20 -0.26 -1.43 0.35 115.58 116.55 1rkj h ASN 152 Ca -0.08 0.13 0.03 0.00 -0.56 0.00 0.00 56.30 55.81 1rkj h ASN 152 Cb 0.76 0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 38.25 1rkj h ASN 152 CO 0.08 -0.15 0.36 0.25 -1.06 0.00 0.00 177.43 176.91 1rkj h LEU 153 N -0.02 0.53 0.36 1.61 5.85 -1.08 0.15 115.31 122.71 1rkj h LEU 153 Ca 0.20 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1rkj h LEU 153 Cb 0.32 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1rkj h LEU 153 CO -0.43 0.37 -0.17 -0.08 -0.34 0.00 0.00 178.44 177.79 1rkj h GLU 154 N 0.62 -0.46 0.83 1.25 4.22 0.13 -1.33 114.58 119.84 1rkj h GLU 154 Ca 0.22 0.03 -0.04 0.00 0.08 0.00 0.00 59.36 59.65 1rkj h GLU 154 Cb 0.10 0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1rkj h GLU 154 CO -0.06 -0.14 -0.40 0.93 -2.18 0.00 0.00 179.01 177.16 1rkj h GLU 155 N -0.83 -1.07 0.00 1.92 5.08 -0.91 -2.66 114.58 116.12 1rkj h GLU 155 Ca -0.05 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1rkj h GLU 155 Cb 0.53 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1rkj h GLU 155 CO 0.08 -0.71 0.17 0.87 -1.00 0.00 0.00 179.01 178.42 1rkj h LYS 156 N -1.28 0.00 -5.15 2.33 6.56 -0.84 -3.42 116.57 114.77 1rkj h LYS 156 Ca -0.11 0.00 -0.30 0.00 -1.06 0.00 0.00 60.65 59.18 1rkj h LYS 156 Cb 0.85 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 32.44 1rkj h LYS 156 CO 0.19 0.00 1.41 0.94 -2.06 0.00 0.00 179.45 179.92 1rkj n GLN 157 N -2.49 0.25 0.00 3.15 -0.06 -0.50 0.26 117.38 117.99 1rkj n GLN 157 Ca -0.02 -0.23 0.00 0.00 -2.00 0.00 0.00 57.00 54.75 1rkj n GLN 157 Cb 0.21 -2.06 0.00 0.00 -4.06 0.00 0.00 30.24 24.33 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 6.08 0.52 3.44 1.69 0.00 -1.24 -5.00 105.19 110.68 1rkj n GLY 158 Ca 0.59 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.49 1rkj n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rkj n ALA 159 N -1.37 0.41 -1.46 4.61 0.00 0.72 -4.07 120.51 119.36 1rkj n ALA 159 Ca 0.00 -1.58 -0.29 0.00 0.00 0.00 0.00 53.44 51.57 1rkj n ALA 159 Cb 0.00 -2.61 -0.19 0.00 0.00 0.00 0.00 19.45 16.64 1rkj n ALA 159 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rkj n GLU 160 N 7.21 0.00 -0.30 0.00 4.71 -1.26 -3.49 120.64 127.51 1rkj n GLU 160 Ca 0.37 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.57 1rkj n GLU 160 Cb 0.42 -1.17 0.11 0.00 -1.01 0.00 0.00 31.44 29.79 1rkj n GLU 160 CO 0.00 0.00 0.00 1.51 0.09 0.00 0.00 177.13 178.73 1rkj n ILE 161 N 6.14 -0.36 -2.20 -3.67 0.13 -1.26 -3.26 119.36 114.89 1rkj n ILE 161 Ca 0.65 1.89 -0.03 0.00 -1.10 0.00 0.00 62.75 64.16 1rkj n ILE 161 Cb 0.09 -2.60 -0.03 0.00 -0.84 0.00 0.00 39.64 36.26 1rkj n ILE 161 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 1rkj n ASP 162 N -5.33 -0.35 0.00 9.51 9.92 -1.26 -4.98 116.55 124.06 1rkj n ASP 162 Ca 0.13 -2.01 0.00 0.00 -0.53 0.00 0.00 54.79 52.38 1rkj n ASP 162 Cb 0.40 0.11 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 1rkj n ASP 162 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1rkj n GLY 163 N 0.09 0.89 0.74 0.44 0.00 -1.20 -5.03 105.19 101.11 1rkj n GLY 163 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 1rkj n GLY 163 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1rkj n ARG 164 N 0.00 0.00 -3.20 1.61 0.00 -1.26 -5.06 116.66 108.75 1rkj n ARG 164 Ca 0.00 -0.51 -0.28 0.00 -0.00 0.00 0.00 57.85 57.06 1rkj n ARG 164 Cb 0.00 0.18 0.02 0.00 0.00 0.00 0.00 32.46 32.66 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 0.02 -4.16 -4.31 6.15 2.88 -1.26 -4.77 113.62 108.17 1rkj n SER 165 Ca -0.11 -0.37 -0.37 0.00 -1.33 0.00 0.00 58.87 56.69 1rkj n SER 165 Cb 0.61 -1.27 0.05 0.00 -0.75 0.00 0.00 64.21 62.85 1rkj n SER 165 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1rkj n VAL 166 N -0.88 0.90 -3.97 2.46 3.14 -1.23 -4.77 118.33 113.98 1rkj n VAL 166 Ca -0.14 -0.45 -0.27 0.00 -2.96 0.00 0.00 64.34 60.52 1rkj n VAL 166 Cb 0.55 -0.37 -0.04 0.00 -1.06 0.00 0.00 33.84 32.92 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 -1.24 6.15 -0.07 6.55 0.01 0.15 -3.64 113.70 121.61 1rkj s SER 167 Ca 0.58 0.12 -0.29 0.00 1.31 0.00 0.00 55.95 57.68 1rkj s SER 167 Cb -0.37 -1.81 0.07 0.00 0.21 0.00 0.00 66.02 64.12 1rkj s SER 167 CO 0.65 0.08 0.65 -1.48 0.41 0.00 0.00 173.24 173.55 1rkj s LEU 168 N -3.05 -0.53 0.22 2.44 2.34 -1.26 0.29 118.68 119.14 1rkj s LEU 168 Ca 0.34 0.76 -0.14 0.00 0.06 0.00 0.00 54.13 55.14 1rkj s LEU 168 Cb -0.11 2.41 0.01 0.00 -0.56 0.00 0.00 46.19 47.93 1rkj s LEU 168 CO 0.27 -0.55 0.49 -0.31 -1.06 0.00 0.00 176.35 175.19 1rkj s TYR 169 N -0.99 0.18 -0.15 3.48 1.51 -0.34 -4.94 117.35 116.09 1rkj s TYR 169 Ca -0.10 -0.55 -0.10 0.00 -1.01 0.00 0.00 57.07 55.31 1rkj s TYR 169 Cb -0.01 0.26 -0.05 0.00 -0.11 0.00 0.00 41.96 42.05 1rkj s TYR 169 CO 0.08 -0.96 0.19 1.52 -1.11 0.00 0.00 175.55 175.28 1rkj s TYR 170 N -3.96 3.50 -0.14 2.71 -0.85 -1.26 -1.63 117.35 115.71 1rkj s TYR 170 Ca 0.17 0.49 0.01 0.00 -0.52 0.00 0.00 57.07 57.22 1rkj s TYR 170 Cb -0.01 -2.15 0.02 0.00 0.38 0.00 0.00 41.96 40.20 1rkj s TYR 170 CO 0.04 0.43 -0.17 -0.08 -1.52 0.00 0.00 175.55 174.25 1rkj s THR 171 N -0.11 1.74 0.00 -3.49 -1.32 -0.72 -4.94 115.64 106.80 1rkj s THR 171 Ca 0.13 -0.76 0.00 0.00 -1.21 0.00 0.00 61.69 59.85 1rkj s THR 171 Cb -0.12 -1.58 0.00 0.00 -1.51 0.00 0.00 72.50 69.28 1rkj s THR 171 CO 0.02 0.49 0.00 0.61 -2.21 0.00 0.00 174.62 173.53 1rkj n GLY 172 N 4.45 1.57 3.15 6.08 0.00 -1.26 -1.23 105.19 117.94 1rkj n GLY 172 Ca -0.19 -0.80 -0.04 0.00 0.00 0.00 0.00 46.02 44.99 1rkj n GLY 172 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rkj n GLU 173 N 0.00 -1.39 -0.06 1.61 4.07 -1.26 -4.85 120.64 118.76 1rkj n GLU 173 Ca 0.00 1.43 -0.06 0.00 -0.06 0.00 0.00 57.16 58.47 1rkj n GLU 173 Cb 0.00 -5.30 -0.15 0.00 -0.06 0.00 0.00 31.44 25.94 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 -1.82 0.67 0.00 5.31 4.81 -1.26 -5.03 118.16 120.84 1rkj n LYS 174 Ca -0.04 0.05 0.14 0.00 -0.87 0.00 0.00 58.31 57.59 1rkj n LYS 174 Cb 0.52 -1.61 0.81 0.00 0.02 0.00 0.00 35.03 34.78 1rkj n LYS 174 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98