#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rnj s MET 2 N 0.00 1.53 -0.13 0.03 1.00 -1.26 -5.12 119.30 115.35 1rnj s MET 2 Ca 0.00 -1.19 -0.09 0.00 0.00 0.00 0.00 55.69 54.41 1rnj s MET 2 Cb 0.00 -1.83 0.04 0.00 0.00 0.00 0.00 34.83 33.04 1rnj s MET 2 CO 0.00 0.45 0.32 0.21 0.00 0.00 0.00 175.02 176.01 1rnj s LYS 3 N -1.62 0.33 0.06 2.03 2.20 -1.26 -5.13 119.74 116.35 1rnj s LYS 3 Ca 0.12 0.57 -0.30 0.00 -0.36 0.00 0.00 55.97 55.99 1rnj s LYS 3 Cb -0.10 0.03 -0.05 0.00 -1.51 0.00 0.00 37.83 36.20 1rnj s LYS 3 CO 0.04 -0.11 1.05 0.15 -0.36 0.00 0.00 175.35 176.12 1rnj s LYS 4 N 0.86 4.55 -0.10 4.03 1.02 -1.26 -5.04 119.74 123.80 1rnj s LYS 4 Ca -0.06 1.56 0.02 0.00 0.02 0.00 0.00 55.97 57.51 1rnj s LYS 4 Cb -0.07 -3.39 0.01 0.00 -0.52 0.00 0.00 37.83 33.87 1rnj s LYS 4 CO -0.06 -0.04 -0.15 0.42 -0.92 0.00 0.00 175.35 174.60 1rnj s ILE 5 N 0.68 1.45 0.25 2.17 1.01 -1.26 -5.08 121.20 120.43 1rnj s ILE 5 Ca 0.53 -0.63 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 1rnj s ILE 5 Cb -0.25 -1.33 -0.11 0.00 0.01 0.00 0.00 42.46 40.79 1rnj s ILE 5 CO 0.30 0.43 1.52 -1.81 0.00 0.00 0.00 174.94 175.37 1rnj s ASP 6 N 0.91 6.54 -0.01 3.58 1.01 -1.25 -4.92 116.67 122.53 1rnj s ASP 6 Ca -0.08 2.77 0.03 0.00 0.71 0.00 0.00 52.55 55.97 1rnj s ASP 6 Cb -0.15 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.15 1rnj s ASP 6 CO -0.00 -0.80 -0.09 0.54 0.21 0.00 0.00 175.17 175.03 1rnj s VAL 7 N 0.15 0.73 -0.16 -1.27 0.11 -1.26 -1.29 120.40 117.41 1rnj s VAL 7 Ca 0.62 -0.38 -0.01 0.00 -2.93 0.00 0.00 61.98 59.28 1rnj s VAL 7 Cb -0.44 -0.62 -0.01 0.00 -1.53 0.00 0.00 36.38 33.77 1rnj s VAL 7 CO 0.43 0.21 -0.11 -0.75 -3.33 0.00 0.00 175.10 171.56 1rnj s LYS 8 N -0.11 3.35 -0.21 1.54 2.20 -0.04 -5.00 119.74 121.47 1rnj s LYS 8 Ca 0.02 -0.68 -0.27 0.00 -0.36 0.00 0.00 55.97 54.68 1rnj s LYS 8 Cb -0.05 -2.75 -0.00 0.00 -1.51 0.00 0.00 37.83 33.52 1rnj s LYS 8 CO -0.00 0.04 0.93 0.42 -0.36 0.00 0.00 175.35 176.39 1rnj s ILE 9 N 0.80 4.77 -0.11 5.43 1.01 -1.26 -1.42 121.20 130.41 1rnj s ILE 9 Ca -0.04 1.81 0.20 0.00 0.00 0.00 0.00 60.65 62.62 1rnj s ILE 9 Cb -0.15 -4.22 -0.25 0.00 0.01 0.00 0.00 42.46 37.85 1rnj s ILE 9 CO 0.01 -0.09 0.48 0.18 0.00 0.00 0.00 174.94 175.51 1rnj n LEU 10 N 5.92 0.22 -4.01 2.97 4.77 0.26 -4.87 117.00 122.26 1rnj n LEU 10 Ca 0.08 0.09 -0.26 0.00 -0.03 0.00 0.00 56.01 55.89 1rnj n LEU 10 Cb 0.47 0.15 -0.17 0.00 -2.33 0.00 0.00 43.42 41.54 1rnj n LEU 10 CO 0.50 0.15 -0.47 -0.62 -1.33 0.00 0.00 177.39 175.61 1rnj s ASP 11 N -5.08 2.08 0.00 -1.43 -1.08 -1.05 -5.00 116.67 105.12 1rnj s ASP 11 Ca -0.07 -0.34 0.10 0.00 -0.52 0.00 0.00 52.55 51.72 1rnj s ASP 11 Cb 0.10 -0.92 0.48 0.00 -1.46 0.00 0.00 42.92 41.13 1rnj s ASP 11 CO 0.86 0.00 1.29 -0.81 0.52 0.00 0.00 175.17 177.03 1rnj n PRO 12 N 4.14 0.07 0.22 4.34 -0.04 -1.26 -1.29 135.00 141.18 1rnj n PRO 12 Ca -0.20 0.26 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 1rnj n PRO 12 Cb 0.51 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.81 1rnj n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rnj h ARG 13 N 0.00 0.00 -6.36 0.54 3.08 -1.96 -3.42 114.38 106.27 1rnj h ARG 13 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 1rnj h ARG 13 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1rnj h ARG 13 CO 0.00 0.11 0.64 0.08 -1.07 0.00 0.00 179.97 179.73 1rnj s VAL 14 N -3.38 4.26 0.00 2.04 1.01 -0.41 -1.02 120.40 122.90 1rnj s VAL 14 Ca 0.04 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1rnj s VAL 14 Cb 0.07 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1rnj s VAL 14 CO 0.64 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.39 1rnj n GLY 15 N 3.29 0.77 0.00 4.51 0.00 0.24 -4.88 105.19 109.12 1rnj n GLY 15 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1rnj n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rnj n LYS 16 N -2.04 0.00 -0.06 1.61 4.76 -0.41 -4.80 118.16 117.22 1rnj n LYS 16 Ca 0.00 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.48 1rnj n LYS 16 Cb 0.00 0.00 0.38 0.00 -1.84 0.00 0.00 35.03 33.57 1rnj n LYS 16 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1rnj h GLU 17 N 0.00 0.65 -4.09 1.97 3.07 -1.65 -3.32 114.58 111.21 1rnj h GLU 17 Ca 0.00 -0.04 -0.70 0.00 -0.50 0.00 0.00 59.36 58.13 1rnj h GLU 17 Cb 0.00 -0.15 -0.35 0.00 -0.84 0.00 0.00 28.75 27.42 1rnj h GLU 17 CO 0.00 0.43 -0.47 -0.06 -1.40 0.00 0.00 179.01 177.51 1rnj s PHE 18 N -5.58 3.50 0.41 4.33 2.99 -0.19 -4.94 117.98 118.50 1rnj s PHE 18 Ca -0.09 -2.54 -0.24 0.00 0.00 0.00 0.00 56.93 54.06 1rnj s PHE 18 Cb 0.18 -3.22 -0.11 0.00 0.00 0.00 0.00 43.02 39.87 1rnj s PHE 18 CO 0.75 -0.92 1.01 -2.30 -0.00 0.00 0.00 175.22 173.76 1rnj n PRO 19 N 4.12 1.35 -1.70 0.24 -0.02 -1.25 -0.59 135.00 137.15 1rnj n PRO 19 Ca 0.02 0.48 -0.38 0.00 -2.02 0.00 0.00 63.50 61.60 1rnj n PRO 19 Cb 0.40 -2.03 0.05 0.00 -0.02 0.00 0.00 33.50 31.89 1rnj n PRO 19 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1rnj n LEU 20 N 0.55 4.85 -4.70 2.45 4.77 -1.26 -4.59 117.00 119.06 1rnj n LEU 20 Ca 0.09 0.92 -0.43 0.00 -0.03 0.00 0.00 56.01 56.57 1rnj n LEU 20 Cb 0.39 -1.50 -0.01 0.00 -2.33 0.00 0.00 43.42 39.97 1rnj n LEU 20 CO 0.57 -1.06 0.95 -2.65 -1.33 0.00 0.00 177.39 173.87 1rnj n PRO 21 N -1.02 2.19 -4.10 3.23 -0.02 -1.26 -4.99 135.00 129.03 1rnj n PRO 21 Ca 0.12 0.77 -0.09 0.00 -2.02 0.00 0.00 63.50 62.28 1rnj n PRO 21 Cb 0.45 -2.38 -0.10 0.00 -0.02 0.00 0.00 33.50 31.46 1rnj n PRO 21 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1rnj s THR 22 N -0.94 0.15 -0.16 3.45 -4.23 -1.26 -4.97 115.64 107.68 1rnj s THR 22 Ca 0.57 -1.80 -0.22 0.00 -1.18 0.00 0.00 61.69 59.06 1rnj s THR 22 Cb -0.57 -1.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 1rnj s THR 22 CO 0.61 -0.68 0.66 -0.31 -0.54 0.00 0.00 174.62 174.36 1rnj s TYR 23 N -3.98 3.44 0.16 3.99 1.51 -1.26 -3.91 117.35 117.30 1rnj s TYR 23 Ca 0.16 1.04 -0.15 0.00 -1.01 0.00 0.00 57.07 57.11 1rnj s TYR 23 Cb 0.07 -2.81 0.07 0.00 -0.11 0.00 0.00 41.96 39.19 1rnj s TYR 23 CO -0.04 -0.09 1.77 0.00 -1.11 0.00 0.00 175.55 176.08 1rnj h ALA 24 N 7.22 0.48 -2.07 3.71 0.00 -1.95 -3.46 119.26 123.19 1rnj h ALA 24 Ca -0.34 0.03 -0.46 0.00 0.00 0.00 0.00 54.91 54.13 1rnj h ALA 24 Cb 1.16 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 1rnj h ALA 24 CO 0.78 -0.20 -0.63 0.95 0.00 0.00 0.00 179.25 180.14 1rnj s THR 25 N -6.15 1.29 0.66 0.00 -4.23 -1.26 -5.01 115.64 100.94 1rnj s THR 25 Ca -0.13 -2.04 0.43 0.00 -1.18 0.00 0.00 61.69 58.77 1rnj s THR 25 Cb 0.12 -2.63 0.44 0.00 1.34 0.00 0.00 72.50 71.77 1rnj s THR 25 CO 0.72 -0.14 2.36 0.77 -0.54 0.00 0.00 174.62 177.79 1rnj h SER 26 N 2.22 0.00 -0.30 3.99 4.64 -2.05 -2.88 113.55 119.17 1rnj h SER 26 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1rnj h SER 26 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1rnj h SER 26 CO 0.68 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.25 1rnj n GLY 27 N -1.10 1.76 3.75 -0.77 0.00 -1.26 -5.00 105.19 102.57 1rnj n GLY 27 Ca -0.03 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 1rnj n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rnj s SER 28 N -1.06 7.04 0.01 1.61 0.01 -1.09 -4.96 113.70 115.26 1rnj s SER 28 Ca 0.25 2.35 0.09 0.00 1.31 0.00 0.00 55.95 59.95 1rnj s SER 28 Cb 0.14 -2.62 -0.23 0.00 0.21 0.00 0.00 66.02 63.52 1rnj s SER 28 CO 0.19 -0.38 0.85 0.00 0.41 0.00 0.00 173.24 174.32 1rnj h ALA 29 N 4.67 0.60 -3.18 1.44 0.00 -1.94 -3.48 119.26 117.37 1rnj h ALA 29 Ca -0.46 -1.27 -0.65 0.00 0.00 0.00 0.00 54.91 52.53 1rnj h ALA 29 Cb 1.22 0.29 -0.18 0.00 0.00 0.00 0.00 17.79 19.11 1rnj h ALA 29 CO 0.72 1.45 -0.81 0.20 0.00 0.00 0.00 179.25 180.81 1rnj s GLY 30 N -4.99 1.71 -0.15 0.00 0.00 -1.26 -4.54 107.32 98.09 1rnj s GLY 30 Ca -0.04 -1.62 -0.06 0.00 0.00 0.00 0.00 44.72 43.00 1rnj s GLY 30 CO 0.82 -1.64 0.06 1.08 0.00 0.00 0.00 173.10 173.42 1rnj s LEU 31 N -2.68 3.86 0.05 0.66 1.43 -0.08 -4.68 118.68 117.25 1rnj s LEU 31 Ca 0.21 0.17 -0.29 0.00 -1.03 0.00 0.00 54.13 53.19 1rnj s LEU 31 Cb -0.08 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 1rnj s LEU 31 CO 0.10 0.27 0.92 -1.81 0.23 0.00 0.00 176.35 176.06 1rnj s ASP 32 N -0.21 7.38 -0.08 2.29 1.11 -1.25 -0.82 116.67 125.09 1rnj s ASP 32 Ca 0.08 1.65 -0.11 0.00 0.18 0.00 0.00 52.55 54.35 1rnj s ASP 32 Cb -0.12 -2.55 -0.05 0.00 1.07 0.00 0.00 42.92 41.27 1rnj s ASP 32 CO 0.01 -0.11 0.28 -0.76 1.18 0.00 0.00 175.17 175.77 1rnj s LEU 33 N 0.34 4.39 0.03 1.23 1.43 -0.11 -4.37 118.68 121.62 1rnj s LEU 33 Ca 0.46 0.67 0.02 0.00 -1.03 0.00 0.00 54.13 54.26 1rnj s LEU 33 Cb -0.22 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 1rnj s LEU 33 CO 0.27 0.31 0.01 -0.13 0.23 0.00 0.00 176.35 177.05 1rnj s ARG 34 N -0.74 2.75 -0.10 1.70 0.52 -1.26 -1.49 118.95 120.33 1rnj s ARG 34 Ca 0.19 -0.67 -0.30 0.00 -0.52 0.00 0.00 55.73 54.43 1rnj s ARG 34 Cb -0.14 -2.65 -0.03 0.00 0.52 0.00 0.00 34.95 32.64 1rnj s ARG 34 CO 0.08 0.60 1.38 0.00 0.02 0.00 0.00 175.30 177.37 1rnj s ALA 35 N -1.18 3.62 -0.78 2.13 0.00 -0.60 -4.55 121.76 120.39 1rnj s ALA 35 Ca 0.22 0.67 -0.14 0.00 0.00 0.00 0.00 51.96 52.72 1rnj s ALA 35 Cb -0.12 -3.63 0.20 0.00 0.00 0.00 0.00 23.12 19.57 1rnj s ALA 35 CO 0.14 -1.13 0.71 0.00 0.00 0.00 0.00 175.76 175.48 1rnj s LEU 37 N 0.35 2.22 0.16 0.00 1.43 -1.26 -4.35 118.68 117.22 1rnj s LEU 37 Ca 0.16 -0.51 0.07 0.00 -1.03 0.00 0.00 54.13 52.82 1rnj s LEU 37 Cb -0.13 -0.41 -0.06 0.00 0.03 0.00 0.00 46.19 45.62 1rnj s LEU 37 CO -0.07 -0.08 1.36 0.78 0.23 0.00 0.00 176.35 178.58 1rnj h ASN 38 N 4.67 0.05 -5.11 2.29 2.35 -2.01 -3.44 115.58 114.39 1rnj h ASN 38 Ca -0.37 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.25 1rnj h ASN 38 Cb 1.19 -0.02 -0.14 0.00 0.05 0.00 0.00 38.32 39.40 1rnj h ASN 38 CO 0.42 0.93 -0.26 -1.81 -1.65 0.00 0.00 177.43 175.06 1rnj s ASP 39 N -6.79 -0.03 0.57 5.81 1.11 -1.26 -5.01 116.67 111.07 1rnj s ASP 39 Ca -0.00 -0.46 -0.20 0.00 0.18 0.00 0.00 52.55 52.06 1rnj s ASP 39 Cb 0.10 0.38 -0.05 0.00 1.07 0.00 0.00 42.92 44.42 1rnj s ASP 39 CO 0.81 -0.74 1.05 0.00 1.18 0.00 0.00 175.17 177.47 1rnj n ALA 40 N 0.03 0.46 -3.69 5.23 0.00 -1.26 -4.64 120.51 116.64 1rnj n ALA 40 Ca -0.16 0.06 -0.34 0.00 0.00 0.00 0.00 53.44 53.00 1rnj n ALA 40 Cb 0.62 -2.16 -0.15 0.00 0.00 0.00 0.00 19.45 17.76 1rnj n ALA 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1rnj s VAL 41 N -1.44 2.69 -0.25 0.00 1.01 -0.27 -4.97 120.40 117.18 1rnj s VAL 41 Ca 0.73 -0.74 -0.24 0.00 0.00 0.00 0.00 61.98 61.74 1rnj s VAL 41 Cb -0.44 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 1rnj s VAL 41 CO 0.49 0.49 0.80 -0.70 0.00 0.00 0.00 175.10 176.18 1rnj s GLU 42 N 1.18 4.17 -0.35 2.72 2.56 -1.26 -0.49 118.70 127.22 1rnj s GLU 42 Ca 0.02 0.88 -0.06 0.00 0.00 0.00 0.00 54.97 55.81 1rnj s GLU 42 Cb -0.14 -3.65 0.05 0.00 2.00 0.00 0.00 34.13 32.39 1rnj s GLU 42 CO -0.05 -0.51 0.13 -1.17 -0.56 0.00 0.00 175.26 173.10 1rnj s LEU 43 N 2.80 4.49 0.71 2.70 2.96 0.91 -4.97 118.68 128.28 1rnj s LEU 43 Ca 0.34 -1.25 -0.12 0.00 -0.22 0.00 0.00 54.13 52.87 1rnj s LEU 43 Cb -0.15 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.68 1rnj s LEU 43 CO 0.08 -0.37 1.08 0.00 -1.32 0.00 0.00 176.35 175.81 1rnj s ALA 44 N 1.38 2.50 0.13 5.97 0.00 -1.26 -1.92 121.76 128.56 1rnj s ALA 44 Ca -0.00 0.24 -0.35 0.00 0.00 0.00 0.00 51.96 51.85 1rnj s ALA 44 Cb -0.20 -3.24 -0.15 0.00 0.00 0.00 0.00 23.12 19.53 1rnj s ALA 44 CO 0.02 -1.39 1.49 -2.30 0.00 0.00 0.00 175.76 173.58 1rnj n PRO 45 N -3.07 1.78 0.00 0.00 -0.02 -1.26 -1.55 135.00 130.88 1rnj n PRO 45 Ca 0.09 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1rnj n PRO 45 Cb 0.53 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1rnj n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rnj n GLY 46 N 3.09 2.28 3.93 -1.23 0.00 0.61 -5.03 105.19 108.83 1rnj n GLY 46 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1rnj n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rnj s ASP 47 N -2.88 5.93 -0.01 1.61 -0.00 -0.60 -4.77 116.67 115.96 1rnj s ASP 47 Ca 0.00 0.61 0.05 0.00 -0.00 0.00 0.00 52.55 53.21 1rnj s ASP 47 Cb 0.00 -1.84 -0.01 0.00 -0.00 0.00 0.00 42.92 41.07 1rnj s ASP 47 CO 0.00 -0.73 -0.17 -0.89 -0.00 0.00 0.00 175.17 173.39 1rnj s THR 48 N -2.71 1.32 0.02 -1.27 2.01 -1.26 -1.34 115.64 112.41 1rnj s THR 48 Ca 0.49 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.76 1rnj s THR 48 Cb -0.10 -1.10 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 1rnj s THR 48 CO 0.42 0.35 -0.06 0.28 -0.69 0.00 0.00 174.62 174.92 1rnj s THR 49 N -0.42 0.39 -0.31 -0.82 -1.32 -0.12 -4.98 115.64 108.05 1rnj s THR 49 Ca 0.06 -0.68 -0.17 0.00 -1.21 0.00 0.00 61.69 59.69 1rnj s THR 49 Cb -0.07 -0.42 -0.02 0.00 -1.51 0.00 0.00 72.50 70.49 1rnj s THR 49 CO -0.00 -0.20 0.46 -0.22 -2.21 0.00 0.00 174.62 172.45 1rnj s LEU 50 N -0.95 4.23 -0.24 9.08 2.96 -1.26 -0.95 118.68 131.55 1rnj s LEU 50 Ca -0.06 0.13 -0.07 0.00 -0.22 0.00 0.00 54.13 53.91 1rnj s LEU 50 Cb -0.06 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.06 1rnj s LEU 50 CO -0.00 -0.36 0.07 -0.69 -1.32 0.00 0.00 176.35 174.05 1rnj s VAL 51 N 2.26 4.38 0.54 1.68 1.01 0.98 -4.94 120.40 126.30 1rnj s VAL 51 Ca 0.17 -0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.81 1rnj s VAL 51 Cb -0.16 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.13 1rnj s VAL 51 CO 0.11 0.35 1.10 -2.84 0.00 0.00 0.00 175.10 173.82 1rnj s PRO 52 N 1.47 3.43 0.00 2.72 0.02 -1.26 -0.67 135.00 140.71 1rnj s PRO 52 Ca 0.06 1.50 0.22 0.00 0.02 0.00 0.00 61.00 62.80 1rnj s PRO 52 Cb -0.15 -2.03 -0.25 0.00 0.02 0.00 0.00 34.50 32.09 1rnj s PRO 52 CO 0.04 -0.76 0.66 0.25 -0.33 0.00 0.00 177.00 176.85 1rnj n THR 53 N -1.34 0.07 -1.05 0.99 -2.24 -1.07 -0.82 114.28 108.81 1rnj n THR 53 Ca 0.11 -0.39 -0.02 0.00 -2.27 0.00 0.00 64.05 61.48 1rnj n THR 53 Cb 0.52 0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.91 1rnj n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rnj n GLY 54 N 1.31 0.53 3.18 3.38 0.00 -1.26 -4.56 105.19 107.77 1rnj n GLY 54 Ca -0.02 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 1rnj n GLY 54 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1rnj s LEU 55 N -0.42 1.51 0.01 0.99 0.05 -1.26 -0.57 118.68 118.99 1rnj s LEU 55 Ca 0.00 -0.56 0.06 0.00 0.05 0.00 0.00 54.13 53.68 1rnj s LEU 55 Cb 0.00 0.91 -0.02 0.00 -2.05 0.00 0.00 46.19 45.03 1rnj s LEU 55 CO 0.00 -0.64 -0.19 0.00 -0.55 0.00 0.00 176.35 174.97 1rnj s ALA 56 N -3.27 1.61 0.28 1.48 0.00 -0.51 -0.92 121.76 120.43 1rnj s ALA 56 Ca 0.00 -0.91 0.11 0.00 0.00 0.00 0.00 51.96 51.16 1rnj s ALA 56 Cb 0.02 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.74 1rnj s ALA 56 CO -0.08 0.38 -0.09 0.96 0.00 0.00 0.00 175.76 176.93 1rnj s ILE 57 N -0.61 2.94 -0.34 0.00 -4.36 -1.26 -0.86 121.20 116.71 1rnj s ILE 57 Ca 0.07 -2.14 -0.01 0.00 -0.26 0.00 0.00 60.65 58.31 1rnj s ILE 57 Cb -0.08 -2.60 0.12 0.00 1.25 0.00 0.00 42.46 41.15 1rnj s ILE 57 CO 0.00 -0.37 0.16 -2.28 0.24 0.00 0.00 174.94 172.69 1rnj s HIS 58 N -2.43 1.30 0.19 1.37 2.46 -0.41 -4.28 115.29 113.49 1rnj s HIS 58 Ca 0.31 -1.69 -0.10 0.00 0.47 0.00 0.00 55.06 54.04 1rnj s HIS 58 Cb -0.05 -1.44 0.10 0.00 -0.13 0.00 0.00 32.58 31.06 1rnj s HIS 58 CO 0.18 -0.84 1.74 0.82 -2.47 0.00 0.00 174.74 174.16 1rnj h ILE 59 N 5.93 1.24 0.00 0.89 2.04 -1.80 -3.33 117.51 122.49 1rnj h ILE 59 Ca -0.08 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1rnj h ILE 59 Cb 0.99 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1rnj h ILE 59 CO 0.43 0.31 0.00 0.00 0.00 0.00 0.00 178.15 178.89 1rnj n ALA 60 N -2.40 0.00 -2.62 1.87 0.00 0.26 -4.91 120.51 112.71 1rnj n ALA 60 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 1rnj n ALA 60 Cb 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.59 1rnj n ALA 60 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1rnj s ASP 61 N 0.00 6.71 0.00 0.00 -1.08 -1.26 -4.84 116.67 116.20 1rnj s ASP 61 Ca 0.00 0.77 0.13 0.00 -0.52 0.00 0.00 52.55 52.93 1rnj s ASP 61 Cb 0.00 -2.42 0.68 0.00 -1.46 0.00 0.00 42.92 39.72 1rnj s ASP 61 CO 0.00 -0.61 1.34 -0.81 0.52 0.00 0.00 175.17 175.62 1rnj n PRO 62 N 6.19 0.20 -0.02 4.34 -0.04 -1.26 -1.83 135.00 142.57 1rnj n PRO 62 Ca 0.04 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 1rnj n PRO 62 Cb 0.48 -1.50 0.57 0.00 -0.04 0.00 0.00 33.50 33.01 1rnj n PRO 62 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1rnj n SER 63 N -1.28 0.90 -4.11 3.54 7.64 -1.26 -4.81 113.62 114.25 1rnj n SER 63 Ca 0.06 -1.45 -0.17 0.00 1.01 0.00 0.00 58.87 58.32 1rnj n SER 63 Cb 0.10 -0.03 -0.13 0.00 -1.01 0.00 0.00 64.21 63.15 1rnj n SER 63 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1rnj s LEU 64 N -1.77 2.20 0.20 -3.43 1.43 -0.76 -1.35 118.68 115.20 1rnj s LEU 64 Ca 0.36 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1rnj s LEU 64 Cb 0.18 -0.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.94 1rnj s LEU 64 CO 0.29 -0.05 0.12 0.00 0.23 0.00 0.00 176.35 176.94 1rnj s ALA 65 N -1.00 1.20 0.18 4.21 0.00 -0.47 -4.20 121.76 121.67 1rnj s ALA 65 Ca -0.02 -1.70 0.10 0.00 0.00 0.00 0.00 51.96 50.34 1rnj s ALA 65 Cb -0.08 1.32 -0.04 0.00 0.00 0.00 0.00 23.12 24.32 1rnj s ALA 65 CO 0.01 -0.57 -0.17 0.00 0.00 0.00 0.00 175.76 175.03 1rnj s ALA 66 N -4.11 2.73 -0.09 0.00 0.00 -0.91 -1.29 121.76 118.09 1rnj s ALA 66 Ca 0.38 -1.54 0.03 0.00 0.00 0.00 0.00 51.96 50.83 1rnj s ALA 66 Cb 0.07 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.66 1rnj s ALA 66 CO 0.11 0.46 -0.18 -1.64 0.00 0.00 0.00 175.76 174.51 1rnj s MET 67 N -2.70 2.39 -0.09 0.00 -1.94 0.36 -0.87 119.30 116.45 1rnj s MET 67 Ca 0.22 -0.65 -0.15 0.00 -1.71 0.00 0.00 55.69 53.40 1rnj s MET 67 Cb -0.09 -1.89 -0.05 0.00 2.01 0.00 0.00 34.83 34.82 1rnj s MET 67 CO 0.12 0.08 0.38 -1.64 -0.01 0.00 0.00 175.02 173.95 1rnj s MET 68 N 0.58 4.13 0.10 2.03 -1.94 0.60 -1.20 119.30 123.60 1rnj s MET 68 Ca -0.15 0.30 0.04 0.00 -1.71 0.00 0.00 55.69 54.17 1rnj s MET 68 Cb -0.17 -3.35 -0.04 0.00 2.01 0.00 0.00 34.83 33.29 1rnj s MET 68 CO 0.05 0.39 -0.10 -0.51 -0.01 0.00 0.00 175.02 174.83 1rnj s LEU 69 N -0.07 2.41 0.85 -0.03 1.43 0.14 -1.27 118.68 122.14 1rnj s LEU 69 Ca 0.22 -0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 1rnj s LEU 69 Cb -0.15 -0.32 0.11 0.00 0.03 0.00 0.00 46.19 45.86 1rnj s LEU 69 CO 0.09 -0.25 1.18 -2.65 0.23 0.00 0.00 176.35 174.95 1rnj n PRO 70 N 0.55 -0.07 -2.97 1.29 -0.02 -1.26 -1.29 135.00 131.23 1rnj n PRO 70 Ca -0.16 0.06 -0.37 0.00 -2.02 0.00 0.00 63.50 61.00 1rnj n PRO 70 Cb 0.58 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 1rnj n PRO 70 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1rnj s ARG 71 N -4.32 4.44 0.23 -0.52 0.52 -1.26 -4.63 118.95 113.41 1rnj s ARG 71 Ca 0.71 1.09 -0.04 0.00 -0.52 0.00 0.00 55.73 56.96 1rnj s ARG 71 Cb -0.27 -2.95 0.23 0.00 0.52 0.00 0.00 34.95 32.48 1rnj s ARG 71 CO 0.54 0.40 1.71 0.66 0.02 0.00 0.00 175.30 178.63 1rnj h SER 72 N 3.57 0.86 0.41 0.23 4.64 -1.96 -1.55 113.55 119.75 1rnj h SER 72 Ca -0.47 -0.23 -0.02 0.00 -0.47 0.00 0.00 61.79 60.60 1rnj h SER 72 Cb 1.20 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1rnj h SER 72 CO 0.65 0.93 -0.20 1.23 -0.87 0.00 0.00 176.83 178.58 1rnj h GLY 73 N 0.99 -0.57 0.44 -0.77 0.00 -1.97 0.33 103.07 101.52 1rnj h GLY 73 Ca 0.15 0.21 0.10 0.00 0.00 0.00 0.00 47.33 47.80 1rnj h GLY 73 CO 0.03 -0.21 0.39 1.41 0.00 0.00 0.00 176.54 178.16 1rnj h LEU 74 N -0.72 0.52 0.07 3.11 3.38 -1.84 0.35 115.31 120.17 1rnj h LEU 74 Ca -0.06 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rnj h LEU 74 Cb 0.51 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1rnj h LEU 74 CO 0.09 0.28 -0.03 1.23 0.09 0.00 0.00 178.44 180.10 1rnj h GLY 75 N 0.65 -0.10 0.67 0.83 0.00 -1.10 -0.84 103.07 103.17 1rnj h GLY 75 Ca 0.38 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.74 1rnj h GLY 75 CO -0.28 -0.04 -0.00 0.84 0.00 0.00 0.00 176.54 177.06 1rnj h HIS 76 N -0.55 0.04 0.21 5.60 -0.00 -0.84 -2.23 115.15 117.37 1rnj h HIS 76 Ca -0.01 -0.01 -0.34 0.00 -0.00 0.00 0.00 60.37 60.01 1rnj h HIS 76 Cb 0.47 -0.01 0.02 0.00 -0.00 0.00 0.00 27.41 27.89 1rnj h HIS 76 CO 0.07 0.36 -1.61 0.87 -0.00 0.00 0.00 177.93 177.63 1rnj h LYS 77 N -0.30 0.44 -0.00 5.26 1.57 -1.05 -3.40 116.57 119.08 1rnj h LYS 77 Ca 0.00 -0.75 0.00 0.00 -1.87 0.00 0.00 60.65 58.04 1rnj h LYS 77 Cb 0.35 0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1rnj h LYS 77 CO 0.00 1.35 -0.25 0.72 -0.57 0.00 0.00 179.45 180.70 1rnj n HIS 78 N -3.63 0.00 -2.09 -1.35 8.25 -0.67 -5.00 115.22 110.74 1rnj n HIS 78 Ca -0.20 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.10 1rnj n HIS 78 Cb 1.08 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.17 1rnj n HIS 78 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rnj n GLY 79 N 0.96 0.20 3.37 -1.41 0.00 -0.59 -4.61 105.19 103.11 1rnj n GLY 79 Ca 0.03 -0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 1rnj n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rnj s ILE 80 N -2.75 5.04 0.00 -0.61 -1.09 -0.43 -0.75 121.20 120.61 1rnj s ILE 80 Ca 0.00 -1.11 0.00 0.00 -2.23 0.00 0.00 60.65 57.31 1rnj s ILE 80 Cb 0.00 -4.01 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 1rnj s ILE 80 CO 0.00 -0.55 0.00 1.33 -1.23 0.00 0.00 174.94 174.49 1rnj n VAL 81 N 5.15 0.00 -4.26 2.92 0.24 -0.37 -3.13 118.33 118.87 1rnj n VAL 81 Ca -0.12 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.83 1rnj n VAL 81 Cb 0.44 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.71 1rnj n VAL 81 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1rnj s LEU 82 N 0.00 3.70 0.40 1.34 1.43 -1.26 -1.06 118.68 123.23 1rnj s LEU 82 Ca 0.00 0.17 0.13 0.00 -1.03 0.00 0.00 54.13 53.40 1rnj s LEU 82 Cb 0.00 -1.87 0.83 0.00 0.03 0.00 0.00 46.19 45.18 1rnj s LEU 82 CO 0.00 0.35 1.89 1.23 0.23 0.00 0.00 176.35 180.05 1rnj h GLY 83 N 5.41 0.00 -1.66 -3.19 0.00 -1.13 -0.98 103.07 101.52 1rnj h GLY 83 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1rnj h GLY 83 CO 0.57 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.27 1rnj n ASN 84 N -4.17 2.60 0.00 0.19 6.94 -1.26 -5.00 115.26 114.56 1rnj n ASN 84 Ca -0.02 -1.90 0.00 0.00 -0.02 0.00 0.00 54.58 52.63 1rnj n ASN 84 Cb 0.35 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 1rnj n ASN 84 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1rnj n LEU 85 N 0.92 0.00 -3.92 -4.53 4.77 -0.37 -4.61 117.00 109.26 1rnj n LEU 85 Ca 0.17 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.97 1rnj n LEU 85 Cb 0.45 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.38 1rnj n LEU 85 CO 0.13 0.00 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.10 1rnj s VAL 86 N 0.00 0.49 -0.10 4.08 1.01 -1.26 -4.49 120.40 120.12 1rnj s VAL 86 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 1rnj s VAL 86 Cb 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 1rnj s VAL 86 CO 0.00 0.18 0.18 -0.83 0.00 0.00 0.00 175.10 174.63 1rnj s GLY 87 N 0.48 2.20 -0.16 4.51 0.00 -0.40 -4.91 107.32 109.04 1rnj s GLY 87 Ca -0.06 -0.59 -0.00 0.00 0.00 0.00 0.00 44.72 44.07 1rnj s GLY 87 CO -0.00 -0.32 -0.15 -2.27 0.00 0.00 0.00 173.10 170.36 1rnj s LEU 88 N -1.07 2.51 -0.30 0.66 2.96 -1.26 -0.29 118.68 121.89 1rnj s LEU 88 Ca 0.17 -0.46 -0.08 0.00 -0.22 0.00 0.00 54.13 53.54 1rnj s LEU 88 Cb -0.13 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 44.99 1rnj s LEU 88 CO 0.06 0.08 0.10 -0.63 -1.32 0.00 0.00 176.35 174.64 1rnj s ILE 89 N 0.85 4.17 0.50 6.68 -1.09 -0.05 -5.00 121.20 127.26 1rnj s ILE 89 Ca -0.04 -0.60 -0.18 0.00 -2.23 0.00 0.00 60.65 57.60 1rnj s ILE 89 Cb -0.15 -3.14 -0.08 0.00 -1.58 0.00 0.00 42.46 37.51 1rnj s ILE 89 CO -0.01 0.08 1.00 0.20 -1.23 0.00 0.00 174.94 174.99 1rnj s ASN 90 N 1.54 6.47 0.54 3.58 0.01 -1.26 -2.13 114.94 123.68 1rnj s ASN 90 Ca 0.03 1.73 0.21 0.00 -0.71 0.00 0.00 52.86 54.12 1rnj s ASN 90 Cb -0.17 -2.53 1.44 0.00 0.41 0.00 0.00 41.25 40.40 1rnj s ASN 90 CO 0.04 -0.69 2.18 0.77 -1.51 0.00 0.00 177.10 177.88 1rnj h SER 91 N 1.21 0.00 -0.49 -1.22 4.64 -1.86 -2.05 113.55 113.78 1rnj h SER 91 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1rnj h SER 91 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1rnj h SER 91 CO 0.60 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.67 1rnj n ASP 92 N -4.28 3.43 -4.72 4.97 5.75 -1.26 -0.58 116.55 119.86 1rnj n ASP 92 Ca -0.03 -1.98 -0.42 0.00 -0.01 0.00 0.00 54.79 52.36 1rnj n ASP 92 Cb 0.10 -0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 39.84 1rnj n ASP 92 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1rnj s TYR 93 N -1.36 3.61 0.00 2.11 6.14 -0.77 -4.91 117.35 122.16 1rnj s TYR 93 Ca 0.41 1.58 0.00 0.00 0.64 0.00 0.00 57.07 59.71 1rnj s TYR 93 Cb 0.23 -3.22 0.00 0.00 0.42 0.00 0.00 41.96 39.39 1rnj s TYR 93 CO 0.31 -0.43 0.77 1.04 0.64 0.00 0.00 175.55 177.88 1rnj n GLN 94 N 3.53 1.66 -1.99 4.97 6.02 -1.26 -4.40 117.38 125.91 1rnj n GLN 94 Ca 0.06 -1.06 -0.29 0.00 -0.01 0.00 0.00 57.00 55.70 1rnj n GLN 94 Cb 0.49 -0.82 0.17 0.00 1.02 0.00 0.00 30.24 31.09 1rnj n GLN 94 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1rnj s GLY 95 N -0.58 1.76 0.33 1.08 0.00 -1.26 -4.78 107.32 103.87 1rnj s GLY 95 Ca 0.00 -1.20 -0.29 0.00 0.00 0.00 0.00 44.72 43.23 1rnj s GLY 95 CO 0.00 -0.47 1.48 1.62 0.00 0.00 0.00 173.10 175.73 1rnj s GLN 96 N -5.80 4.17 -0.10 2.90 0.74 -1.26 -4.32 119.66 115.99 1rnj s GLN 96 Ca 0.72 2.49 -0.30 0.00 0.05 0.00 0.00 55.36 58.33 1rnj s GLN 96 Cb -0.05 -3.02 -0.03 0.00 1.10 0.00 0.00 33.01 31.02 1rnj s GLN 96 CO 0.52 -0.50 1.26 -0.51 -0.55 0.00 0.00 175.29 175.51 1rnj s LEU 97 N -1.41 4.24 0.08 3.68 1.43 -0.10 -4.97 118.68 121.64 1rnj s LEU 97 Ca 0.56 1.81 0.08 0.00 -1.03 0.00 0.00 54.13 55.54 1rnj s LEU 97 Cb -0.45 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.18 1rnj s LEU 97 CO 0.55 -0.68 -0.15 -0.04 0.23 0.00 0.00 176.35 176.25 1rnj s MET 98 N 2.83 2.00 -0.21 1.70 -1.94 -1.26 -2.61 119.30 119.80 1rnj s MET 98 Ca 0.57 -1.05 0.00 0.00 -1.71 0.00 0.00 55.69 53.49 1rnj s MET 98 Cb -0.24 -2.20 0.02 0.00 2.01 0.00 0.00 34.83 34.41 1rnj s MET 98 CO 0.20 0.51 -0.14 0.42 -0.01 0.00 0.00 175.02 176.00 1rnj s ILE 99 N -1.08 2.42 -0.60 2.53 1.01 0.16 -4.97 121.20 120.66 1rnj s ILE 99 Ca 0.18 -0.98 -0.24 0.00 0.00 0.00 0.00 60.65 59.60 1rnj s ILE 99 Cb -0.11 -2.13 0.05 0.00 0.01 0.00 0.00 42.46 40.29 1rnj s ILE 99 CO 0.09 0.39 0.99 -0.55 0.00 0.00 0.00 174.94 175.86 1rnj s SER 100 N 1.30 6.28 -0.23 3.58 0.15 -1.26 -0.01 113.70 123.50 1rnj s SER 100 Ca 0.02 -0.53 -0.12 0.00 0.70 0.00 0.00 55.95 56.03 1rnj s SER 100 Cb -0.15 -2.45 -0.05 0.00 -1.71 0.00 0.00 66.02 61.67 1rnj s SER 100 CO -0.09 -1.35 0.22 -0.69 1.20 0.00 0.00 173.24 172.53 1rnj s VAL 101 N 4.19 5.32 -0.10 4.45 1.01 -0.12 -0.60 120.40 134.54 1rnj s VAL 101 Ca 0.29 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.62 1rnj s VAL 101 Cb -0.13 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1rnj s VAL 101 CO 0.16 0.32 -0.19 0.86 0.00 0.00 0.00 175.10 176.25 1rnj s TRP 102 N 1.15 2.22 -0.67 5.22 -0.00 -0.23 -0.94 118.94 125.68 1rnj s TRP 102 Ca 0.11 -0.96 -0.22 0.00 -0.00 0.00 0.00 56.10 55.03 1rnj s TRP 102 Cb -0.14 -1.53 0.08 0.00 -0.00 0.00 0.00 33.47 31.88 1rnj s TRP 102 CO 0.05 -0.43 0.93 1.21 -0.00 0.00 0.00 176.95 178.72 1rnj s ASN 103 N 0.62 6.21 0.00 5.86 3.84 -0.45 -1.23 114.94 129.79 1rnj s ASN 103 Ca -0.14 -1.16 0.29 0.00 0.21 0.00 0.00 52.86 52.06 1rnj s ASN 103 Cb -0.16 -2.40 1.21 0.00 -0.55 0.00 0.00 41.25 39.35 1rnj s ASN 103 CO 0.04 -1.36 1.83 -2.11 -2.79 0.00 0.00 177.10 172.72 1rnj n ARG 104 N 7.38 1.39 -0.21 0.43 1.85 0.07 -0.29 116.66 127.29 1rnj n ARG 104 Ca -0.03 -0.68 0.00 0.00 -1.00 0.00 0.00 57.85 56.14 1rnj n ARG 104 Cb 0.45 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.38 1rnj n ARG 104 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1rnj n GLY 105 N 1.16 2.33 0.37 2.89 0.00 -1.25 -4.86 105.19 105.83 1rnj n GLY 105 Ca 0.19 -2.06 0.05 0.00 0.00 0.00 0.00 46.02 44.21 1rnj n GLY 105 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rnj n GLN 106 N -0.18 1.15 -4.88 1.61 3.00 -1.26 -3.92 117.38 112.90 1rnj n GLN 106 Ca 0.00 -0.96 -0.33 0.00 -0.01 0.00 0.00 57.00 55.71 1rnj n GLN 106 Cb 0.00 -1.17 -0.14 0.00 0.00 0.00 0.00 30.24 28.93 1rnj n GLN 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1rnj s ASP 107 N -1.13 3.87 0.55 1.08 -0.00 -1.26 -4.81 116.67 114.98 1rnj s ASP 107 Ca 0.11 -0.32 -0.21 0.00 -0.00 0.00 0.00 52.55 52.13 1rnj s ASP 107 Cb 0.09 -1.31 -0.05 0.00 -0.00 0.00 0.00 42.92 41.65 1rnj s ASP 107 CO 0.19 0.22 1.20 -0.24 -0.00 0.00 0.00 175.17 176.54 1rnj n SER 108 N 3.13 1.93 -3.86 0.27 2.88 -1.26 -4.48 113.62 112.22 1rnj n SER 108 Ca -0.18 0.93 -0.14 0.00 -1.33 0.00 0.00 58.87 58.15 1rnj n SER 108 Cb 0.53 -1.49 -0.15 0.00 -0.75 0.00 0.00 64.21 62.34 1rnj n SER 108 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1rnj s PHE 109 N -1.36 0.14 -0.32 0.66 5.36 -0.81 -5.00 117.98 116.66 1rnj s PHE 109 Ca 0.73 0.00 -0.14 0.00 -0.96 0.00 0.00 56.93 56.56 1rnj s PHE 109 Cb -0.43 -0.15 -0.02 0.00 -0.34 0.00 0.00 43.02 42.07 1rnj s PHE 109 CO 0.49 -0.03 0.31 0.99 -1.46 0.00 0.00 175.22 175.52 1rnj s THR 110 N 0.28 5.21 -0.34 0.12 2.01 -1.26 -0.06 115.64 121.61 1rnj s THR 110 Ca -0.02 0.08 -0.24 0.00 0.31 0.00 0.00 61.69 61.81 1rnj s THR 110 Cb -0.04 -3.74 0.01 0.00 0.01 0.00 0.00 72.50 68.73 1rnj s THR 110 CO -0.01 0.00 0.82 -0.63 -0.69 0.00 0.00 174.62 174.11 1rnj s ILE 111 N 1.93 4.73 0.08 1.82 1.01 0.35 -4.94 121.20 126.17 1rnj s ILE 111 Ca 0.10 1.09 -0.09 0.00 0.00 0.00 0.00 60.65 61.75 1rnj s ILE 111 Cb -0.17 -4.21 -0.06 0.00 0.01 0.00 0.00 42.46 38.04 1rnj s ILE 111 CO 0.11 -0.37 0.38 -1.10 0.00 0.00 0.00 174.94 173.96 1rnj s GLN 112 N 3.12 3.73 0.25 2.79 -1.52 -1.26 -1.11 119.66 125.65 1rnj s GLN 112 Ca 0.33 0.13 -0.31 0.00 -1.95 0.00 0.00 55.36 53.56 1rnj s GLN 112 Cb -0.13 -2.99 -0.14 0.00 -0.22 0.00 0.00 33.01 29.53 1rnj s GLN 112 CO 0.15 0.56 1.35 -2.30 -0.25 0.00 0.00 175.29 174.81 1rnj n PRO 113 N 0.86 1.93 -0.31 2.91 -0.02 -1.26 -1.85 135.00 137.25 1rnj n PRO 113 Ca -0.08 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1rnj n PRO 113 Cb 0.52 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1rnj n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rnj n GLY 114 N 1.95 1.88 3.74 -1.23 0.00 0.28 -4.95 105.19 106.85 1rnj n GLY 114 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1rnj n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rnj s GLU 115 N -0.18 4.36 -0.52 1.61 2.12 -0.77 -4.51 118.70 120.80 1rnj s GLU 115 Ca 0.00 2.13 -0.27 0.00 0.36 0.00 0.00 54.97 57.18 1rnj s GLU 115 Cb 0.00 -3.16 -0.01 0.00 0.26 0.00 0.00 34.13 31.22 1rnj s GLU 115 CO 0.00 -0.28 1.67 1.03 -0.54 0.00 0.00 175.26 177.14 1rnj s ARG 116 N -0.36 3.07 -0.01 4.30 0.52 -1.26 -1.56 118.95 123.65 1rnj s ARG 116 Ca 0.56 0.74 0.08 0.00 -0.52 0.00 0.00 55.73 56.60 1rnj s ARG 116 Cb -0.38 -4.24 -0.11 0.00 0.52 0.00 0.00 34.95 30.74 1rnj s ARG 116 CO 0.41 -2.20 0.28 0.44 0.02 0.00 0.00 175.30 174.24 1rnj n ILE 117 N 7.12 0.00 -3.86 1.52 -5.35 -0.56 -4.98 119.36 113.25 1rnj n ILE 117 Ca 0.18 -0.25 -0.10 0.00 -0.27 0.00 0.00 62.75 62.30 1rnj n ILE 117 Cb 0.50 0.68 0.01 0.00 -1.74 0.00 0.00 39.64 39.09 1rnj n ILE 117 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1rnj s ALA 118 N -2.16 -0.39 0.07 -1.28 0.00 -1.23 -4.47 121.76 112.31 1rnj s ALA 118 Ca 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 50.98 1rnj s ALA 118 Cb 0.06 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.92 1rnj s ALA 118 CO 0.35 -0.94 0.07 1.14 0.00 0.00 0.00 175.76 176.37 1rnj s GLN 119 N -2.37 0.74 -0.02 0.00 -2.07 -0.41 -0.93 119.66 114.60 1rnj s GLN 119 Ca 0.19 -1.14 0.01 0.00 -1.82 0.00 0.00 55.36 52.60 1rnj s GLN 119 Cb -0.04 0.27 0.01 0.00 -1.09 0.00 0.00 33.01 32.16 1rnj s GLN 119 CO 0.14 -0.19 -0.01 1.41 -1.32 0.00 0.00 175.29 175.32 1rnj s MET 120 N -3.91 0.27 0.15 9.60 1.75 0.00 -0.68 119.30 126.49 1rnj s MET 120 Ca 0.08 -0.01 0.09 0.00 -1.25 0.00 0.00 55.69 54.60 1rnj s MET 120 Cb 0.07 -0.37 -0.04 0.00 2.84 0.00 0.00 34.83 37.33 1rnj s MET 120 CO -0.09 -0.05 -0.13 0.96 -0.65 0.00 0.00 175.02 175.06 1rnj s ILE 121 N 0.53 3.03 -0.20 10.11 -4.36 -0.34 -0.90 121.20 129.07 1rnj s ILE 121 Ca -0.05 -1.60 -0.05 0.00 -0.26 0.00 0.00 60.65 58.69 1rnj s ILE 121 Cb -0.08 -2.46 -0.02 0.00 1.25 0.00 0.00 42.46 41.15 1rnj s ILE 121 CO -0.01 -0.02 -0.01 -0.36 0.24 0.00 0.00 174.94 174.78 1rnj s PHE 122 N -1.48 3.02 -0.01 1.37 0.08 -1.26 -0.49 117.98 119.21 1rnj s PHE 122 Ca 0.22 -0.54 0.05 0.00 0.12 0.00 0.00 56.93 56.78 1rnj s PHE 122 Cb -0.09 -2.09 -0.01 0.00 -0.57 0.00 0.00 43.02 40.26 1rnj s PHE 122 CO 0.13 -0.29 -0.16 0.14 -0.10 0.00 0.00 175.22 174.94 1rnj s VAL 123 N 1.08 1.23 0.46 -0.44 -7.23 -0.41 -4.99 120.40 110.09 1rnj s VAL 123 Ca 0.02 -0.71 -0.25 0.00 -1.81 0.00 0.00 61.98 59.23 1rnj s VAL 123 Cb -0.14 -1.03 -0.08 0.00 0.56 0.00 0.00 36.38 35.69 1rnj s VAL 123 CO 0.01 0.31 1.43 -2.84 -0.31 0.00 0.00 175.10 173.71 1rnj s PRO 124 N -0.46 3.61 0.12 4.82 0.02 -1.26 -1.37 135.00 140.48 1rnj s PRO 124 Ca 0.06 2.43 0.06 0.00 0.02 0.00 0.00 61.00 63.57 1rnj s PRO 124 Cb -0.06 -2.61 -0.04 0.00 0.02 0.00 0.00 34.50 31.81 1rnj s PRO 124 CO -0.00 -0.88 -0.14 0.14 -0.33 0.00 0.00 177.00 175.79 1rnj s VAL 125 N -1.20 1.32 -0.09 3.83 -7.23 -0.45 -4.83 120.40 111.74 1rnj s VAL 125 Ca 0.62 -1.69 0.04 0.00 -1.81 0.00 0.00 61.98 59.14 1rnj s VAL 125 Cb -0.44 -1.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.98 1rnj s VAL 125 CO 0.56 -0.40 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.05 1rnj s VAL 126 N -2.08 2.41 -0.26 1.32 1.01 -1.26 -4.57 120.40 116.97 1rnj s VAL 126 Ca 0.08 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 60.96 1rnj s VAL 126 Cb -0.05 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 1rnj s VAL 126 CO 0.03 0.56 0.55 -1.10 0.00 0.00 0.00 175.10 175.14 1rnj s GLN 127 N 0.03 4.07 0.11 2.72 -0.21 -1.26 -5.05 119.66 120.07 1rnj s GLN 127 Ca -0.08 0.38 -0.25 0.00 0.02 0.00 0.00 55.36 55.43 1rnj s GLN 127 Cb -0.15 -3.65 -0.07 0.00 1.00 0.00 0.00 33.01 30.14 1rnj s GLN 127 CO 0.05 -0.38 0.78 0.00 -2.12 0.00 0.00 175.29 173.62 1rnj s ALA 128 N 2.37 3.41 -0.23 6.09 0.00 -1.26 -5.06 121.76 127.08 1rnj s ALA 128 Ca 0.23 0.33 -0.05 0.00 0.00 0.00 0.00 51.96 52.47 1rnj s ALA 128 Cb -0.16 -2.98 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 1rnj s ALA 128 CO 0.09 0.19 -0.01 -2.00 0.00 0.00 0.00 175.76 174.03 1rnj s GLU 129 N -0.67 3.42 0.18 0.00 2.12 -1.26 -5.10 118.70 117.39 1rnj s GLU 129 Ca 0.37 -0.61 -0.30 0.00 0.36 0.00 0.00 54.97 54.79 1rnj s GLU 129 Cb -0.22 -3.11 -0.08 0.00 0.26 0.00 0.00 34.13 30.98 1rnj s GLU 129 CO 0.25 -0.21 1.08 -0.06 -0.54 0.00 0.00 175.26 175.78 1rnj s PHE 130 N 1.51 3.63 -0.33 5.30 2.99 -1.26 -5.01 117.98 124.80 1rnj s PHE 130 Ca 0.06 1.63 0.01 0.00 0.00 0.00 0.00 56.93 58.63 1rnj s PHE 130 Cb -0.15 -3.25 0.08 0.00 0.00 0.00 0.00 43.02 39.71 1rnj s PHE 130 CO -0.01 -0.50 0.04 1.21 -0.00 0.00 0.00 175.22 175.96 1rnj s ASN 131 N -0.18 4.84 0.05 1.36 2.47 -1.26 -5.09 114.94 117.14 1rnj s ASN 131 Ca 0.49 -1.78 -0.31 0.00 0.42 0.00 0.00 52.86 51.68 1rnj s ASN 131 Cb -0.29 -1.68 -0.07 0.00 -1.45 0.00 0.00 41.25 37.77 1rnj s ASN 131 CO 0.35 -0.35 1.46 -0.76 -3.72 0.00 0.00 177.10 174.07 1rnj s LEU 132 N 1.07 4.34 0.14 3.21 1.02 -1.26 -5.02 118.68 122.18 1rnj s LEU 132 Ca 0.03 2.27 0.07 0.00 0.02 0.00 0.00 54.13 56.52 1rnj s LEU 132 Cb -0.20 -3.57 -0.04 0.00 0.02 0.00 0.00 46.19 42.40 1rnj s LEU 132 CO -0.05 -0.74 -0.17 0.68 0.02 0.00 0.00 176.35 176.09 1rnj s VAL 133 N 2.06 1.61 0.10 -1.59 -7.23 -1.26 -5.05 120.40 109.04 1rnj s VAL 133 Ca 0.66 -1.76 -0.12 0.00 -1.81 0.00 0.00 61.98 58.95 1rnj s VAL 133 Cb -0.35 -1.66 -0.17 0.00 0.56 0.00 0.00 36.38 34.76 1rnj s VAL 133 CO 0.29 -0.30 1.30 -0.08 -0.31 0.00 0.00 175.10 175.99 1rnj h GLU 134 N 3.52 0.76 -3.23 4.82 4.57 -2.09 -3.46 114.58 119.46 1rnj h GLU 134 Ca -0.42 -0.65 -0.13 0.00 -1.18 0.00 0.00 59.36 56.98 1rnj h GLU 134 Cb 1.20 0.14 -0.20 0.00 -0.16 0.00 0.00 28.75 29.73 1rnj h GLU 134 CO 0.49 1.25 -0.36 -0.51 -1.18 0.00 0.00 179.01 178.70 1rnj s ASP 135 N -7.13 -0.10 0.00 1.04 -0.00 -1.26 -5.36 116.67 103.86 1rnj s ASP 135 Ca -0.10 -0.05 0.00 0.00 -0.00 0.00 0.00 52.55 52.40 1rnj s ASP 135 Cb 0.08 0.27 0.00 0.00 -0.00 0.00 0.00 42.92 43.28 1rnj s ASP 135 CO 0.91 -0.43 0.00 0.49 -0.00 0.00 0.00 175.17 176.14 1rnj n PHE 136 N 1.29 0.00 0.00 4.23 0.99 -1.26 -5.21 117.46 117.50 1rnj n PHE 136 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.23 1rnj n PHE 136 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.04 1rnj n PHE 136 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 1rnj n ARG 141 N 0.00 0.00 -2.15 -1.08 0.00 -1.26 -5.24 116.66 106.93 1rnj n ARG 141 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1rnj n ARG 141 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1rnj n ARG 141 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1rnj n PHE 146 N -2.44 0.00 0.00 -0.14 3.01 -1.26 -5.48 117.46 111.15 1rnj n PHE 146 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1rnj n PHE 146 Cb 0.00 -0.72 0.00 0.00 -0.01 0.00 0.00 39.48 38.75 1rnj n PHE 146 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1rnj n ARG 151 N 2.09 2.42 0.00 -1.08 3.00 -1.26 -5.57 116.66 116.27 1rnj n ARG 151 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1rnj n ARG 151 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1rnj n ARG 151 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67