#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjj n HIS 0 N 0.00 0.51 -0.06 -1.40 -0.00 -1.26 -4.93 115.22 108.08 3kjj n HIS 0 Ca 0.00 -1.08 0.00 0.00 -0.00 0.00 0.00 57.72 56.64 3kjj n HIS 0 Cb 0.00 -1.12 0.00 0.00 -0.00 0.00 0.00 29.99 28.87 3kjj n HIS 0 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 3kjj n ASP 2 N 3.67 -1.64 -4.86 0.26 8.00 -1.26 -3.60 116.55 117.12 3kjj n ASP 2 Ca 0.24 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.37 3kjj n ASP 2 Cb 0.22 0.57 -0.06 0.00 -0.02 0.00 0.00 41.12 41.83 3kjj n ASP 2 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kjj s ILE 3 N -0.70 5.37 0.02 0.53 1.01 -1.26 -4.32 121.20 121.85 3kjj s ILE 3 Ca 0.00 0.39 0.05 0.00 0.00 0.00 0.00 60.65 61.09 3kjj s ILE 3 Cb 0.00 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 3kjj s ILE 3 CO 0.00 0.59 -0.11 -0.13 0.00 0.00 0.00 174.94 175.29 3kjj s ARG 4 N -0.94 2.36 -0.02 2.79 3.00 0.85 -4.98 118.95 122.01 3kjj s ARG 4 Ca 0.17 -0.83 0.07 0.00 0.00 0.00 0.00 55.73 55.15 3kjj s ARG 4 Cb -0.13 -2.38 -0.02 0.00 0.00 0.00 0.00 34.95 32.42 3kjj s ARG 4 CO 0.06 0.58 -0.25 0.71 0.00 0.00 0.00 175.30 176.40 3kjj s TYR 5 N -0.98 2.26 -0.04 -0.53 2.02 -1.26 -0.77 117.35 118.06 3kjj s TYR 5 Ca 0.16 -0.46 0.03 0.00 -0.37 0.00 0.00 57.07 56.44 3kjj s TYR 5 Cb -0.11 -1.46 0.00 0.00 -0.40 0.00 0.00 41.96 39.99 3kjj s TYR 5 CO 0.07 -0.06 -0.13 -0.06 -1.57 0.00 0.00 175.55 173.80 3kjj s PHE 6 N -0.53 1.35 -1.11 2.71 0.08 0.92 -4.82 117.98 116.58 3kjj s PHE 6 Ca 0.08 -0.37 -0.04 0.00 0.12 0.00 0.00 56.93 56.71 3kjj s PHE 6 Cb -0.10 -0.93 0.00 0.00 -0.57 0.00 0.00 43.02 41.42 3kjj s PHE 6 CO -0.00 -0.14 0.96 0.41 -0.10 0.00 0.00 175.22 176.34 3kjj n GLY 7 N 3.24 -0.30 3.71 4.36 0.00 -1.26 -1.39 105.19 113.56 3kjj n GLY 7 Ca -0.18 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3kjj n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kjj s THR 8 N -3.29 3.78 0.41 2.61 2.01 -1.26 -2.53 115.64 117.37 3kjj s THR 8 Ca 0.29 1.28 0.07 0.00 0.31 0.00 0.00 61.69 63.64 3kjj s THR 8 Cb -0.13 -3.82 -0.07 0.00 0.01 0.00 0.00 72.50 68.49 3kjj s THR 8 CO 0.63 0.10 0.06 0.42 -0.69 0.00 0.00 174.62 175.15 3kjj s THR 9 N 1.03 2.07 -0.18 -0.82 -4.23 0.13 -4.98 115.64 108.66 3kjj s THR 9 Ca 0.60 -1.90 0.21 0.00 -1.18 0.00 0.00 61.69 59.42 3kjj s THR 9 Cb -0.32 -2.97 0.21 0.00 1.34 0.00 0.00 72.50 70.76 3kjj s THR 9 CO 0.30 0.00 1.62 -2.65 -0.54 0.00 0.00 174.62 173.35 3kjj n PRO 10 N -1.07 0.13 -0.07 3.99 -0.02 -1.26 -3.32 135.00 133.38 3kjj n PRO 10 Ca -0.04 0.63 -0.09 0.00 -2.02 0.00 0.00 63.50 61.98 3kjj n PRO 10 Cb 0.66 -1.97 -0.09 0.00 -0.02 0.00 0.00 33.50 32.08 3kjj n PRO 10 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3kjj n ARG 11 N -2.23 1.11 -3.67 -0.52 0.63 -1.26 -5.09 116.66 105.64 3kjj n ARG 11 Ca -0.01 0.05 -0.07 0.00 -0.92 0.00 0.00 57.85 56.90 3kjj n ARG 11 Cb 0.06 -1.33 -0.02 0.00 0.45 0.00 0.00 32.46 31.62 3kjj n ARG 11 CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 3kjj s TYR 12 N -2.33 -0.25 -0.02 -0.14 -0.85 -1.21 -5.16 117.35 107.38 3kjj s TYR 12 Ca -0.15 -0.03 0.02 0.00 -0.52 0.00 0.00 57.07 56.39 3kjj s TYR 12 Cb 0.05 0.62 -0.03 0.00 0.38 0.00 0.00 41.96 42.97 3kjj s TYR 12 CO 0.46 -0.85 -0.06 -1.12 -1.52 0.00 0.00 175.55 172.46 3kjj s SER 13 N -2.80 4.67 0.33 -0.18 0.01 -1.26 0.19 113.70 114.66 3kjj s SER 13 Ca 0.09 -0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.28 3kjj s SER 13 Cb -0.02 -1.13 0.57 0.00 0.21 0.00 0.00 66.02 65.64 3kjj s SER 13 CO -0.02 0.31 1.91 -0.33 0.41 0.00 0.00 173.24 175.52 3kjj h GLU 14 N 4.78 0.69 -3.36 12.44 4.39 -0.93 -3.35 114.58 129.24 3kjj h GLU 14 Ca -0.49 -0.11 -0.16 0.00 0.34 0.00 0.00 59.36 58.94 3kjj h GLU 14 Cb 1.17 -0.12 -0.24 0.00 -0.10 0.00 0.00 28.75 29.46 3kjj h GLU 14 CO 0.53 0.60 -0.49 0.00 -1.16 0.00 0.00 179.01 178.50 3kjj s ALA 15 N -5.26 -0.42 -0.02 3.43 0.00 -0.66 -1.18 121.76 117.65 3kjj s ALA 15 Ca -0.09 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.13 3kjj s ALA 15 Cb 0.16 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.18 3kjj s ALA 15 CO 0.77 -0.15 -0.02 0.08 0.00 0.00 0.00 175.76 176.45 3kjj s VAL 16 N -0.57 0.25 -0.02 0.00 1.01 -0.54 -0.05 120.40 120.48 3kjj s VAL 16 Ca -0.07 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.90 3kjj s VAL 16 Cb -0.04 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.06 3kjj s VAL 16 CO 0.01 0.12 -0.06 -0.83 0.00 0.00 0.00 175.10 174.34 3kjj s GLY 17 N 0.53 0.41 -0.20 4.51 0.00 0.05 -0.57 107.32 112.05 3kjj s GLY 17 Ca -0.05 -0.21 -0.12 0.00 0.00 0.00 0.00 44.72 44.34 3kjj s GLY 17 CO -0.01 0.04 0.50 0.00 0.00 0.00 0.00 173.10 173.62 3kjj s ALA 18 N 0.30 -1.30 -0.87 3.20 0.00 -0.59 -0.10 121.76 122.40 3kjj s ALA 18 Ca -0.04 1.77 -0.16 0.00 0.00 0.00 0.00 51.96 53.52 3kjj s ALA 18 Cb -0.08 -1.06 0.02 0.00 0.00 0.00 0.00 23.12 22.00 3kjj s ALA 18 CO 0.00 -0.29 0.31 -1.71 0.00 0.00 0.00 175.76 174.07 3kjj n ASN 19 N 4.13 -1.67 0.00 0.00 5.15 -1.24 -1.70 115.26 119.94 3kjj n ASN 19 Ca -0.21 -0.86 0.00 0.00 -0.60 0.00 0.00 54.58 52.91 3kjj n ASN 19 Cb 0.56 -1.04 0.00 0.00 -0.53 0.00 0.00 39.78 38.77 3kjj n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kjj n GLY 20 N -1.81 3.03 3.90 8.20 0.00 -1.26 -5.03 105.19 112.22 3kjj n GLY 20 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 3kjj n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kjj s LEU 21 N 0.00 4.22 -0.05 0.99 1.43 -0.69 0.63 118.68 125.22 3kjj s LEU 21 Ca 0.00 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 3kjj s LEU 21 Cb 0.00 -3.36 0.02 0.00 0.03 0.00 0.00 46.19 42.88 3kjj s LEU 21 CO 0.00 -0.01 -0.03 -0.63 0.23 0.00 0.00 176.35 175.91 3kjj s ILE 22 N -1.77 0.47 -0.20 -0.59 1.01 0.49 -1.55 121.20 119.06 3kjj s ILE 22 Ca 0.42 -0.05 -0.01 0.00 0.00 0.00 0.00 60.65 61.01 3kjj s ILE 22 Cb -0.12 -0.53 0.01 0.00 0.01 0.00 0.00 42.46 41.83 3kjj s ILE 22 CO 0.26 0.23 -0.12 -0.36 0.00 0.00 0.00 174.94 174.94 3kjj s PHE 23 N 1.17 2.88 0.03 3.97 0.08 0.27 -0.54 117.98 125.84 3kjj s PHE 23 Ca -0.07 -1.32 -0.13 0.00 0.12 0.00 0.00 56.93 55.53 3kjj s PHE 23 Cb -0.14 -2.01 -0.06 0.00 -0.57 0.00 0.00 43.02 40.24 3kjj s PHE 23 CO -0.01 -0.69 0.40 -0.51 -0.10 0.00 0.00 175.22 174.31 3kjj s LEU 24 N 1.38 4.43 0.79 -0.37 1.43 -0.36 -1.46 118.68 124.51 3kjj s LEU 24 Ca 0.05 0.89 -0.14 0.00 -1.03 0.00 0.00 54.13 53.90 3kjj s LEU 24 Cb -0.14 -2.72 0.03 0.00 0.03 0.00 0.00 46.19 43.38 3kjj s LEU 24 CO -0.08 0.27 0.83 -1.20 0.23 0.00 0.00 176.35 176.40 3kjj n SER 25 N 1.48 -0.25 -3.16 2.29 7.64 -0.33 -4.13 113.62 117.16 3kjj n SER 25 Ca -0.12 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.32 3kjj n SER 25 Cb 0.52 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 3kjj n SER 25 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kjj n GLY 26 N 1.13 -3.29 0.00 0.23 0.00 -1.26 -4.63 105.19 97.38 3kjj n GLY 26 Ca 0.11 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.04 3kjj n GLY 26 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kjj n VAL 28 N -2.49 0.00 -1.86 1.61 0.24 -1.26 -4.87 118.33 109.70 3kjj n VAL 28 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 3kjj n VAL 28 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 3kjj n VAL 28 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 3kjj s PRO 29 N -2.00 4.17 -0.00 7.34 0.02 -1.26 -4.78 135.00 138.48 3kjj s PRO 29 Ca 0.00 2.48 0.11 0.00 0.02 0.00 0.00 61.00 63.62 3kjj s PRO 29 Cb 0.00 -3.05 -0.13 0.00 0.02 0.00 0.00 34.50 31.34 3kjj s PRO 29 CO 0.00 -0.56 0.41 0.39 -0.33 0.00 0.00 177.00 176.92 3kjj n GLU 30 N 2.18 2.62 -3.86 5.54 1.02 -1.26 -5.03 120.64 121.85 3kjj n GLU 30 Ca 0.07 -0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 57.09 3kjj n GLU 30 Cb 0.38 -1.08 -0.08 0.00 -0.02 0.00 0.00 31.44 30.64 3kjj n GLU 30 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3kjj s ASN 31 N -2.35 0.09 0.00 1.62 0.01 -1.26 -5.15 114.94 107.89 3kjj s ASN 31 Ca 0.02 -0.52 0.00 0.00 -0.71 0.00 0.00 52.86 51.65 3kjj s ASN 31 Cb 0.08 0.31 0.00 0.00 0.41 0.00 0.00 41.25 42.05 3kjj s ASN 31 CO 0.46 -0.64 0.00 0.61 -1.51 0.00 0.00 177.10 176.02 3kjj n GLY 32 N 0.33 0.24 0.47 0.66 0.00 -1.26 -4.25 105.19 101.37 3kjj n GLY 32 Ca -0.17 -1.64 -0.07 0.00 0.00 0.00 0.00 46.02 44.15 3kjj n GLY 32 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kjj n GLU 33 N 0.50 0.17 -1.59 1.61 4.07 -1.26 -4.71 120.64 119.42 3kjj n GLU 33 Ca 0.00 0.06 -0.31 0.00 -0.06 0.00 0.00 57.16 56.85 3kjj n GLU 33 Cb 0.00 -0.92 0.06 0.00 -0.06 0.00 0.00 31.44 30.52 3kjj n GLU 33 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3kjj s THR 34 N -2.14 3.83 0.20 6.31 -4.23 -1.26 -4.83 115.64 113.52 3kjj s THR 34 Ca -0.10 0.59 -0.11 0.00 -1.18 0.00 0.00 61.69 60.89 3kjj s THR 34 Cb 0.03 -3.36 0.12 0.00 1.34 0.00 0.00 72.50 70.63 3kjj s THR 34 CO 0.14 -0.78 1.75 0.00 -0.54 0.00 0.00 174.62 175.19 3kjj h ALA 35 N -0.78 0.69 -0.56 3.99 0.00 -1.96 0.46 119.26 121.10 3kjj h ALA 35 Ca -0.45 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3kjj h ALA 35 Cb 1.22 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 3kjj h ALA 35 CO 0.58 -0.20 0.25 0.00 0.00 0.00 0.00 179.25 179.87 3kjj h ALA 36 N 1.37 0.73 -0.34 0.00 0.00 -1.93 0.15 119.26 119.24 3kjj h ALA 36 Ca 0.27 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3kjj h ALA 36 Cb 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3kjj h ALA 36 CO -0.27 0.32 0.03 0.93 0.00 0.00 0.00 179.25 180.26 3kjj h GLU 37 N 0.77 0.59 -0.36 0.00 5.08 -1.81 -1.63 114.58 117.21 3kjj h GLU 37 Ca 0.19 -0.17 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 3kjj h GLU 37 Cb 0.16 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3kjj h GLU 37 CO -0.02 0.69 -0.35 1.96 -1.00 0.00 0.00 179.01 180.29 3kjj h GLN 38 N 0.41 0.82 -0.43 2.33 4.20 -0.77 -2.35 115.11 119.32 3kjj h GLN 38 Ca 0.10 -0.41 -0.01 0.00 0.06 0.00 0.00 58.65 58.40 3kjj h GLN 38 Cb 0.40 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 3kjj h GLN 38 CO 0.01 1.04 0.24 1.15 -0.67 0.00 0.00 178.83 180.61 3kjj h THR 39 N 0.68 1.15 -0.25 -0.54 2.02 -0.63 -1.37 112.91 113.98 3kjj h THR 39 Ca 0.07 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 66.91 3kjj h THR 39 Cb 0.91 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 3kjj h THR 39 CO 0.08 0.15 0.01 0.00 0.37 0.00 0.00 175.52 176.13 3kjj h ALA 40 N 1.10 0.22 -0.94 6.16 0.00 -1.16 -0.53 119.26 124.11 3kjj h ALA 40 Ca 0.15 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3kjj h ALA 40 Cb 0.03 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3kjj h ALA 40 CO -0.03 -0.41 0.60 0.22 0.00 0.00 0.00 179.25 179.63 3kjj h ASP 41 N 0.08 1.10 -0.28 0.00 3.58 -1.13 -1.61 116.42 118.17 3kjj h ASP 41 Ca 0.12 -0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.45 3kjj h ASP 41 Cb 0.15 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 3kjj h ASP 41 CO -0.19 0.82 -0.12 0.58 -2.88 0.00 0.00 179.24 177.45 3kjj h VAL 42 N 1.29 1.29 -0.20 2.25 2.07 -0.84 -1.98 116.25 120.14 3kjj h VAL 42 Ca 0.34 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 3kjj h VAL 42 Cb -0.11 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3kjj h VAL 42 CO -0.07 0.38 -0.07 -0.07 0.02 0.00 0.00 177.57 177.76 3kjj h LEU 43 N 0.33 0.28 -0.40 2.57 3.38 -0.93 -1.53 115.31 119.01 3kjj h LEU 43 Ca 0.07 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3kjj h LEU 43 Cb 0.62 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3kjj h LEU 43 CO 0.04 0.39 -0.18 0.00 0.09 0.00 0.00 178.44 178.78 3kjj h ALA 44 N 1.64 0.56 -0.44 1.53 0.00 -1.04 -1.32 119.26 120.18 3kjj h ALA 44 Ca 0.06 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.66 3kjj h ALA 44 Cb 0.31 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3kjj h ALA 44 CO 0.01 0.51 0.18 1.96 0.00 0.00 0.00 179.25 181.91 3kjj h GLN 45 N 0.64 0.35 -0.43 0.00 4.20 -1.17 -1.59 115.11 117.10 3kjj h GLN 45 Ca 0.09 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.80 3kjj h GLN 45 Cb 0.73 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 3kjj h GLN 45 CO 0.06 0.23 0.26 0.82 -0.67 0.00 0.00 178.83 179.53 3kjj h ILE 46 N 0.36 1.05 -0.58 2.54 2.04 -1.06 0.20 117.51 122.07 3kjj h ILE 46 Ca 0.20 -0.18 0.11 0.00 1.00 0.00 0.00 64.86 65.99 3kjj h ILE 46 Cb 0.17 0.48 -0.08 0.00 -0.74 0.00 0.00 36.82 36.65 3kjj h ILE 46 CO -0.19 0.10 0.11 0.44 0.00 0.00 0.00 178.15 178.61 3kjj h ASP 47 N 0.52 -0.02 -0.42 1.72 3.32 -1.03 0.15 116.42 120.66 3kjj h ASP 47 Ca 0.17 0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.25 3kjj h ASP 47 Cb 0.00 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3kjj h ASP 47 CO -0.07 0.01 -0.06 0.03 -1.72 0.00 0.00 179.24 177.42 3kjj h ARG 48 N 0.24 0.79 -0.01 3.56 3.08 -0.27 -1.84 114.38 119.94 3kjj h ARG 48 Ca 0.30 -0.28 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 3kjj h ARG 48 Cb 0.44 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3kjj h ARG 48 CO -0.39 0.89 -0.69 -1.49 -1.07 0.00 0.00 179.97 177.21 3kjj h TRP 49 N 0.61 0.05 -0.31 3.04 4.06 -0.64 -2.29 115.95 120.47 3kjj h TRP 49 Ca 0.11 -0.02 -0.15 0.00 2.06 0.00 0.00 58.89 60.88 3kjj h TRP 49 Cb 0.58 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.73 3kjj h TRP 49 CO 0.05 0.72 -0.41 -0.07 -3.56 0.00 0.00 178.44 175.17 3kjj h LEU 50 N 0.03 0.90 -0.22 -4.49 3.38 -0.63 -2.46 115.31 111.82 3kjj h LEU 50 Ca -0.01 -0.50 0.05 0.00 0.09 0.00 0.00 57.88 57.51 3kjj h LEU 50 Cb 1.23 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 3kjj h LEU 50 CO 0.09 1.22 -0.06 0.00 0.09 0.00 0.00 178.44 179.78 3kjj h ALA 51 N 0.71 0.14 -0.59 1.53 0.00 -1.28 0.19 119.26 119.95 3kjj h ALA 51 Ca 0.04 0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.16 3kjj h ALA 51 Cb 1.00 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 3kjj h ALA 51 CO 0.10 -0.48 0.40 1.49 0.00 0.00 0.00 179.25 180.76 3kjj h GLU 52 N -0.01 0.25 -0.09 0.00 4.81 -1.31 -1.71 114.58 116.51 3kjj h GLU 52 Ca 0.11 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3kjj h GLU 52 Cb 0.18 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3kjj h GLU 52 CO -0.24 0.17 0.00 0.00 -0.73 0.00 0.00 179.01 178.21 3kjj n GLY 54 N 1.16 0.26 1.00 0.00 0.00 -0.64 -4.80 105.19 102.16 3kjj n GLY 54 Ca 0.18 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 3kjj n GLY 54 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kjj n SER 55 N 1.14 1.27 -3.02 1.61 2.88 0.59 -1.54 113.62 116.55 3kjj n SER 55 Ca -0.04 -1.64 -0.07 0.00 -1.33 0.00 0.00 58.87 55.79 3kjj n SER 55 Cb 0.53 0.27 0.03 0.00 -0.75 0.00 0.00 64.21 64.29 3kjj n SER 55 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 3kjj s ASP 56 N -1.75 0.03 0.46 -3.46 1.47 -1.26 -3.26 116.67 108.89 3kjj s ASP 56 Ca 0.05 -1.02 0.18 0.00 1.18 0.00 0.00 52.55 52.95 3kjj s ASP 56 Cb 0.00 0.73 1.09 0.00 -0.34 0.00 0.00 42.92 44.41 3kjj s ASP 56 CO 0.04 -1.46 1.98 0.07 0.68 0.00 0.00 175.17 176.48 3kjj h LYS 57 N 2.00 0.00 0.00 2.11 2.10 -1.93 -0.10 116.57 120.75 3kjj h LYS 57 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 3kjj h LYS 57 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3kjj h LYS 57 CO 0.40 0.20 0.00 0.00 -2.00 0.00 0.00 179.45 178.05 3kjj n ALA 58 N -2.42 2.34 -1.75 0.07 0.00 -1.26 -2.55 120.51 114.94 3kjj n ALA 58 Ca -0.02 -0.11 0.05 0.00 0.00 0.00 0.00 53.44 53.36 3kjj n ALA 58 Cb 0.27 -1.28 0.10 0.00 0.00 0.00 0.00 19.45 18.54 3kjj n ALA 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kjj n HIS 59 N -0.87 0.00 -2.70 0.00 8.25 -0.05 -4.97 115.22 114.87 3kjj n HIS 59 Ca 0.13 -0.76 -0.42 0.00 -0.26 0.00 0.00 57.72 56.41 3kjj n HIS 59 Cb 0.06 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 30.99 3kjj n HIS 59 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kjj s VAL 60 N -1.61 4.83 -0.13 1.59 1.01 -1.06 -1.23 120.40 123.81 3kjj s VAL 60 Ca 0.26 2.04 -0.18 0.00 0.00 0.00 0.00 61.98 64.10 3kjj s VAL 60 Cb 0.25 -4.31 -0.25 0.00 0.00 0.00 0.00 36.38 32.07 3kjj s VAL 60 CO -0.05 0.14 0.50 -0.07 0.00 0.00 0.00 175.10 175.63 3kjj h LEU 61 N 6.93 0.27 -7.40 3.92 3.38 -0.59 -3.39 115.31 118.43 3kjj h LEU 61 Ca -0.40 -0.80 -0.13 0.00 0.09 0.00 0.00 57.88 56.64 3kjj h LEU 61 Cb 1.21 -0.09 -0.23 0.00 0.09 0.00 0.00 40.66 41.64 3kjj h LEU 61 CO 0.76 1.55 -0.27 -0.62 0.09 0.00 0.00 178.44 179.95 3kjj s ASP 62 N -6.92 -0.33 -0.03 -0.43 2.15 -0.82 -1.43 116.67 108.86 3kjj s ASP 62 Ca -0.22 0.53 0.00 0.00 0.43 0.00 0.00 52.55 53.30 3kjj s ASP 62 Cb 0.04 0.61 0.03 0.00 -0.30 0.00 0.00 42.92 43.30 3kjj s ASP 62 CO 0.72 -0.24 0.01 0.00 -0.17 0.00 0.00 175.17 175.49 3kjj s ALA 63 N -0.32 0.29 -0.16 3.66 0.00 0.32 -1.31 121.76 124.25 3kjj s ALA 63 Ca -0.05 0.18 -0.02 0.00 0.00 0.00 0.00 51.96 52.07 3kjj s ALA 63 Cb -0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 3kjj s ALA 63 CO 0.02 -0.10 -0.08 0.08 0.00 0.00 0.00 175.76 175.68 3kjj s VAL 64 N 1.09 3.40 -0.20 0.00 1.01 -0.41 -1.62 120.40 123.67 3kjj s VAL 64 Ca -0.09 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 3kjj s VAL 64 Cb -0.13 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.77 3kjj s VAL 64 CO -0.02 0.49 -0.09 -0.63 0.00 0.00 0.00 175.10 174.85 3kjj s ILE 65 N 0.58 2.99 -0.22 2.22 1.01 -0.13 -1.04 121.20 126.60 3kjj s ILE 65 Ca -0.05 -0.63 -0.08 0.00 0.00 0.00 0.00 60.65 59.89 3kjj s ILE 65 Cb -0.15 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 3kjj s ILE 65 CO 0.03 0.46 0.08 -0.31 0.00 0.00 0.00 174.94 175.20 3kjj s TYR 66 N 1.35 3.16 -0.02 3.97 2.02 -0.16 -1.58 117.35 126.10 3kjj s TYR 66 Ca 0.04 -0.15 0.03 0.00 -0.37 0.00 0.00 57.07 56.62 3kjj s TYR 66 Cb -0.14 -2.18 -0.03 0.00 -0.40 0.00 0.00 41.96 39.21 3kjj s TYR 66 CO -0.05 -0.12 -0.09 -0.51 -1.57 0.00 0.00 175.55 173.21 3kjj s LEU 67 N 1.08 3.07 0.32 -1.29 1.43 -0.65 -1.57 118.68 121.07 3kjj s LEU 67 Ca 0.04 -0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.05 3kjj s LEU 67 Cb -0.14 -1.72 0.55 0.00 0.03 0.00 0.00 46.19 44.91 3kjj s LEU 67 CO 0.03 0.31 1.83 -0.09 0.23 0.00 0.00 176.35 178.67 3kjj h ARG 68 N 4.85 0.51 0.00 1.70 2.43 -1.49 0.95 114.38 123.33 3kjj h ARG 68 Ca -0.48 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 3kjj h ARG 68 Cb 1.17 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3kjj h ARG 68 CO 0.52 0.59 0.00 -3.47 -1.51 0.00 0.00 179.97 176.10 3kjj n ASP 69 N -4.24 0.00 0.00 -3.80 4.64 -1.26 -4.60 116.55 107.29 3kjj n ASP 69 Ca 0.01 -0.65 0.00 0.00 -1.38 0.00 0.00 54.79 52.77 3kjj n ASP 69 Cb 0.29 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.37 3kjj n ASP 69 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kjj n GLY 71 N 0.00 0.00 1.31 0.27 0.00 -1.26 -4.42 105.19 101.09 3kjj n GLY 71 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3kjj n GLY 71 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kjj n ASP 72 N 0.00 3.82 0.24 1.61 8.00 -1.26 -4.63 116.55 124.33 3kjj n ASP 72 Ca 0.00 -2.08 -0.16 0.00 0.71 0.00 0.00 54.79 53.25 3kjj n ASP 72 Cb 0.00 -0.48 -0.08 0.00 -0.02 0.00 0.00 41.12 40.54 3kjj n ASP 72 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3kjj h TYR 73 N 3.96 -1.12 -0.83 1.24 3.20 -2.01 -2.93 116.97 118.47 3kjj h TYR 73 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3kjj h TYR 73 Cb 1.00 0.44 -0.04 0.00 1.54 0.00 0.00 36.73 39.67 3kjj h TYR 73 CO 0.51 -0.56 0.52 0.00 -1.64 0.00 0.00 178.16 176.99 3kjj h ALA 74 N -0.46 1.35 0.00 1.82 0.00 -1.99 0.07 119.26 120.05 3kjj h ALA 74 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3kjj h ALA 74 Cb 0.74 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kjj h ALA 74 CO -0.08 0.58 0.00 -1.91 0.00 0.00 0.00 179.25 177.84 3kjj n GLU 75 N -4.39 0.27 0.00 0.00 2.13 -1.11 -1.43 120.64 116.11 3kjj n GLU 75 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 3kjj n GLU 75 Cb 0.05 -1.13 0.00 0.00 0.27 0.00 0.00 31.44 30.63 3kjj n GLU 75 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3kjj n ASN 77 N 0.32 0.00 -0.29 4.31 3.02 0.01 -3.43 115.26 119.20 3kjj n ASN 77 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.59 3kjj n ASN 77 Cb 0.06 0.00 0.25 0.00 -0.61 0.00 0.00 39.78 39.48 3kjj n ASN 77 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3kjj h GLY 78 N 0.00 1.27 0.41 7.41 0.00 -1.50 0.44 103.07 111.10 3kjj h GLY 78 Ca 0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 3kjj h GLY 78 CO 0.00 0.30 -0.48 -2.08 0.00 0.00 0.00 176.54 174.28 3kjj h VAL 79 N 1.00 1.63 -0.25 4.60 2.07 -1.85 -3.16 116.25 120.29 3kjj h VAL 79 Ca 0.38 -2.46 0.06 0.00 0.82 0.00 0.00 66.70 65.50 3kjj h VAL 79 Cb 0.19 3.28 -0.06 0.00 -1.52 0.00 0.00 31.29 33.17 3kjj h VAL 79 CO -0.14 0.67 -0.15 -0.25 0.02 0.00 0.00 177.57 177.73 3kjj h TRP 80 N -0.63 -0.36 -0.84 1.57 2.91 -1.82 -1.92 115.95 114.86 3kjj h TRP 80 Ca -0.08 0.03 0.10 0.00 1.13 0.00 0.00 58.89 60.06 3kjj h TRP 80 Cb 1.38 0.20 -0.06 0.00 -0.51 0.00 0.00 29.16 30.17 3kjj h TRP 80 CO 0.23 -0.22 0.55 -0.44 -1.03 0.00 0.00 178.44 177.53 3kjj h ASP 81 N -0.12 0.73 0.97 2.65 3.32 -0.23 -0.47 116.42 123.27 3kjj h ASP 81 Ca 0.14 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.09 3kjj h ASP 81 Cb 0.33 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3kjj h ASP 81 CO -0.33 0.43 -0.56 0.00 -1.72 0.00 0.00 179.24 177.06 3kjj h ALA 82 N 1.58 0.81 0.13 3.45 0.00 -1.45 -3.36 119.26 120.42 3kjj h ALA 82 Ca 0.39 -0.51 -0.30 0.00 0.00 0.00 0.00 54.91 54.49 3kjj h ALA 82 Cb 0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kjj h ALA 82 CO -0.16 0.70 -1.53 2.35 0.00 0.00 0.00 179.25 180.61 3kjj h TRP 83 N 0.00 0.50 -3.66 0.00 7.01 -0.44 -3.48 115.95 115.88 3kjj h TRP 83 Ca -0.01 -0.37 -0.57 0.00 2.11 0.00 0.00 58.89 60.06 3kjj h TRP 83 Cb 1.20 -0.02 0.17 0.00 -2.10 0.00 0.00 29.16 28.40 3kjj h TRP 83 CO 0.00 1.60 0.14 1.33 -2.79 0.00 0.00 178.44 178.72 3kjj n VAL 84 N -3.82 3.73 -2.58 2.65 0.24 -0.30 -4.91 118.33 113.33 3kjj n VAL 84 Ca -0.26 -0.48 -0.43 0.00 -2.04 0.00 0.00 64.34 61.13 3kjj n VAL 84 Cb 0.95 -1.16 -0.02 0.00 -1.47 0.00 0.00 33.84 32.14 3kjj n VAL 84 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kjj s ALA 85 N -1.56 3.44 0.33 2.33 0.00 -1.26 -4.98 121.76 120.05 3kjj s ALA 85 Ca 0.77 -0.05 -0.29 0.00 0.00 0.00 0.00 51.96 52.39 3kjj s ALA 85 Cb -0.40 -3.72 -0.11 0.00 0.00 0.00 0.00 23.12 18.90 3kjj s ALA 85 CO 0.46 -1.61 1.55 0.00 0.00 0.00 0.00 175.76 176.16 3kjj s ALA 86 N 3.88 3.68 0.00 0.00 0.00 -1.26 -1.44 121.76 126.62 3kjj s ALA 86 Ca 0.48 1.58 0.00 0.00 0.00 0.00 0.00 51.96 54.02 3kjj s ALA 86 Cb -0.13 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.36 3kjj s ALA 86 CO 0.19 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.34 3kjj n GLY 87 N 1.45 2.90 2.60 0.00 0.00 -1.26 -4.80 105.19 106.09 3kjj n GLY 87 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 3kjj n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kjj n ARG 88 N -2.00 2.18 -2.86 1.61 1.74 -0.52 -5.09 116.66 111.72 3kjj n ARG 88 Ca 0.00 -3.68 -0.39 0.00 -0.77 0.00 0.00 57.85 53.00 3kjj n ARG 88 Cb 0.00 -1.75 -0.06 0.00 -1.02 0.00 0.00 32.46 29.63 3kjj n ARG 88 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3kjj s THR 89 N -4.00 4.23 0.66 0.55 -4.23 -1.14 -4.54 115.64 107.17 3kjj s THR 89 Ca 0.34 1.86 -0.10 0.00 -1.18 0.00 0.00 61.69 62.61 3kjj s THR 89 Cb 0.37 -4.19 0.01 0.00 1.34 0.00 0.00 72.50 70.03 3kjj s THR 89 CO -0.02 0.44 1.03 -2.16 -0.54 0.00 0.00 174.62 173.37 3kjj s PRO 90 N -1.34 2.92 0.29 3.99 0.04 -1.26 -5.02 135.00 134.62 3kjj s PRO 90 Ca 0.40 0.33 -0.30 0.00 0.04 0.00 0.00 61.00 61.47 3kjj s PRO 90 Cb -0.23 -2.11 -0.13 0.00 0.04 0.00 0.00 34.50 32.08 3kjj s PRO 90 CO 0.28 -0.90 1.41 0.00 0.04 0.00 0.00 177.00 177.82 3kjj n ALA 91 N -2.86 1.52 -2.99 8.56 0.00 -0.52 -4.87 120.51 119.36 3kjj n ALA 91 Ca 0.06 0.38 -0.11 0.00 0.00 0.00 0.00 53.44 53.77 3kjj n ALA 91 Cb 0.57 -2.31 -0.12 0.00 0.00 0.00 0.00 19.45 17.59 3kjj n ALA 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kjj s ARG 92 N -1.03 0.23 0.01 0.00 3.52 -1.26 -0.52 118.95 119.91 3kjj s ARG 92 Ca 0.62 -0.20 0.01 0.00 -0.13 0.00 0.00 55.73 56.03 3kjj s ARG 92 Cb -0.58 0.09 -0.01 0.00 -1.56 0.00 0.00 34.95 32.89 3kjj s ARG 92 CO 0.55 -0.04 -0.05 0.00 -0.81 0.00 0.00 175.30 174.94 3kjj s ALA 93 N -0.68 0.37 -0.09 6.12 0.00 -0.64 -4.97 121.76 121.87 3kjj s ALA 93 Ca -0.08 -0.41 -0.01 0.00 0.00 0.00 0.00 51.96 51.47 3kjj s ALA 93 Cb -0.05 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.09 3kjj s ALA 93 CO 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 175.76 175.74 3kjj s VAL 95 N 1.79 0.99 -0.23 0.00 -7.23 -0.61 -5.00 120.40 110.11 3kjj s VAL 95 Ca 0.04 -1.98 -0.18 0.00 -1.81 0.00 0.00 61.98 58.05 3kjj s VAL 95 Cb -0.12 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 3kjj s VAL 95 CO -0.06 -0.77 0.51 -0.70 -0.31 0.00 0.00 175.10 173.77 3kjj s GLU 96 N -3.70 4.13 -0.20 4.82 2.12 -1.26 -1.64 118.70 122.98 3kjj s GLU 96 Ca 0.14 0.36 -0.14 0.00 0.36 0.00 0.00 54.97 55.69 3kjj s GLU 96 Cb 0.03 -3.61 0.06 0.00 0.26 0.00 0.00 34.13 30.87 3kjj s GLU 96 CO -0.01 -0.24 0.50 0.00 -0.54 0.00 0.00 175.26 174.97 3kjj s ALA 97 N 1.95 -1.29 0.33 6.30 0.00 0.33 -4.92 121.76 124.46 3kjj s ALA 97 Ca 0.22 1.64 -0.28 0.00 0.00 0.00 0.00 51.96 53.55 3kjj s ALA 97 Cb -0.15 -0.97 -0.09 0.00 0.00 0.00 0.00 23.12 21.90 3kjj s ALA 97 CO 0.09 -0.27 1.12 1.03 0.00 0.00 0.00 175.76 177.73 3kjj s ARG 98 N 0.92 4.43 0.54 0.00 0.52 -1.26 -3.54 118.95 120.55 3kjj s ARG 98 Ca -0.05 1.79 0.09 0.00 -0.52 0.00 0.00 55.73 57.03 3kjj s ARG 98 Cb -0.06 -2.97 0.06 0.00 0.52 0.00 0.00 34.95 32.50 3kjj s ARG 98 CO -0.08 0.02 0.66 -0.51 0.02 0.00 0.00 175.30 175.41 3kjj s LEU 99 N -1.88 3.12 0.58 2.53 1.43 -1.26 -5.01 118.68 118.20 3kjj s LEU 99 Ca 0.49 -0.86 0.33 0.00 -1.03 0.00 0.00 54.13 53.07 3kjj s LEU 99 Cb -0.31 -1.72 1.82 0.00 0.03 0.00 0.00 46.19 46.01 3kjj s LEU 99 CO 0.39 -1.17 2.20 0.00 0.23 0.00 0.00 176.35 178.01 3kjj h ALA 100 N 0.41 1.27 -4.18 4.21 0.00 -1.96 -3.39 119.26 115.62 3kjj h ALA 100 Ca -0.33 -0.04 -0.58 0.00 0.00 0.00 0.00 54.91 53.96 3kjj h ALA 100 Cb 1.29 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.77 3kjj h ALA 100 CO 0.46 0.05 -0.84 1.03 0.00 0.00 0.00 179.25 179.95 3kjj s ARG 101 N -4.29 1.68 0.44 0.00 0.52 -1.26 -5.04 118.95 111.00 3kjj s ARG 101 Ca -0.04 -0.66 0.17 0.00 -0.52 0.00 0.00 55.73 54.68 3kjj s ARG 101 Cb 0.13 -1.54 1.10 0.00 0.52 0.00 0.00 34.95 35.15 3kjj s ARG 101 CO 0.53 0.35 1.93 -1.00 0.02 0.00 0.00 175.30 177.12 3kjj h PRO 102 N 5.90 0.35 0.00 3.54 0.13 -2.02 -1.55 132.00 138.36 3kjj h PRO 102 Ca -0.36 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3kjj h PRO 102 Cb 1.16 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3kjj h PRO 102 CO 0.48 0.23 0.00 -0.85 -0.23 0.00 0.00 178.00 177.63 3kjj n GLU 103 N -4.46 0.00 -2.53 0.86 0.00 -1.26 -4.74 120.64 108.50 3kjj n GLU 103 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.88 3kjj n GLU 103 Cb 0.54 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.45 3kjj n GLU 103 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3kjj s TRP 104 N -3.00 3.20 -0.77 -1.84 0.51 -0.59 -4.91 118.94 111.54 3kjj s TRP 104 Ca 0.14 1.29 0.15 0.00 -2.12 0.00 0.00 56.10 55.56 3kjj s TRP 104 Cb 0.19 -3.37 -0.16 0.00 -0.81 0.00 0.00 33.47 29.32 3kjj s TRP 104 CO 0.53 -1.03 0.67 0.54 -0.51 0.00 0.00 176.95 177.15 3kjj n ARG 105 N 5.70 1.86 -3.70 4.98 1.74 -1.26 -4.60 116.66 121.38 3kjj n ARG 105 Ca 0.11 -0.04 -0.14 0.00 -0.77 0.00 0.00 57.85 57.01 3kjj n ARG 105 Cb 0.46 -1.23 -0.08 0.00 -1.02 0.00 0.00 32.46 30.58 3kjj n ARG 105 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kjj s VAL 106 N -2.44 0.02 -0.08 1.55 0.11 -1.26 -2.19 120.40 116.12 3kjj s VAL 106 Ca 0.06 -0.19 -0.05 0.00 -2.93 0.00 0.00 61.98 58.88 3kjj s VAL 106 Cb 0.12 -0.70 0.03 0.00 -1.53 0.00 0.00 36.38 34.30 3kjj s VAL 106 CO 0.63 -0.10 0.18 -0.70 -3.33 0.00 0.00 175.10 171.77 3kjj s GLU 107 N -0.64 0.16 -0.10 1.54 2.12 -0.61 -4.14 118.70 117.03 3kjj s GLU 107 Ca -0.07 0.37 0.02 0.00 0.36 0.00 0.00 54.97 55.64 3kjj s GLU 107 Cb -0.03 -0.07 0.01 0.00 0.26 0.00 0.00 34.13 34.30 3kjj s GLU 107 CO 0.04 -0.12 -0.15 0.42 -0.54 0.00 0.00 175.26 174.91 3kjj s ILE 108 N 0.82 1.46 -0.22 -3.70 1.01 -1.26 -0.99 121.20 118.32 3kjj s ILE 108 Ca -0.06 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 59.91 3kjj s ILE 108 Cb -0.08 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 3kjj s ILE 108 CO -0.04 0.43 -0.01 -0.75 0.00 0.00 0.00 174.94 174.56 3kjj s LYS 109 N 0.84 3.49 -0.05 2.79 2.47 -0.21 -4.45 119.74 124.63 3kjj s LYS 109 Ca -0.10 -0.57 0.04 0.00 -1.56 0.00 0.00 55.97 53.78 3kjj s LYS 109 Cb -0.15 -3.07 -0.03 0.00 -1.46 0.00 0.00 37.83 33.12 3kjj s LYS 109 CO 0.01 -0.13 -0.15 0.42 0.16 0.00 0.00 175.35 175.66 3kjj s ILE 110 N 1.34 2.99 -0.08 5.43 -1.09 -1.26 -1.29 121.20 127.24 3kjj s ILE 110 Ca 0.04 -0.75 0.03 0.00 -2.23 0.00 0.00 60.65 57.75 3kjj s ILE 110 Cb -0.14 -2.16 -0.01 0.00 -1.58 0.00 0.00 42.46 38.56 3kjj s ILE 110 CO -0.00 0.59 -0.19 -0.89 -1.23 0.00 0.00 174.94 173.22 3kjj s THR 111 N -0.71 2.61 0.29 2.92 2.01 -0.43 -1.23 115.64 121.11 3kjj s THR 111 Ca 0.11 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.26 3kjj s THR 111 Cb -0.11 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 3kjj s THR 111 CO 0.00 0.56 0.32 0.00 -0.69 0.00 0.00 174.62 174.81 3kjj s ALA 112 N -0.12 1.14 0.01 7.40 0.00 0.30 0.17 121.76 130.67 3kjj s ALA 112 Ca -0.03 -1.69 0.08 0.00 0.00 0.00 0.00 51.96 50.32 3kjj s ALA 112 Cb -0.14 1.32 -0.03 0.00 0.00 0.00 0.00 23.12 24.27 3kjj s ALA 112 CO 0.04 -0.70 -0.24 0.08 0.00 0.00 0.00 175.76 174.93 3kjj s VAL 113 N -3.58 2.25 0.08 0.00 1.01 -0.36 -0.38 120.40 119.41 3kjj s VAL 113 Ca 0.35 -1.20 -0.31 0.00 0.00 0.00 0.00 61.98 60.83 3kjj s VAL 113 Cb 0.02 -1.84 -0.06 0.00 0.00 0.00 0.00 36.38 34.50 3kjj s VAL 113 CO 0.19 0.47 1.22 -0.75 0.00 0.00 0.00 175.10 176.23 3kjj s LYS 114 N -0.96 4.43 0.35 2.72 2.20 0.21 -4.60 119.74 124.07 3kjj s LYS 114 Ca 0.11 1.81 -0.29 0.00 -0.36 0.00 0.00 55.97 57.25 3kjj s LYS 114 Cb -0.10 -3.33 -0.11 0.00 -1.51 0.00 0.00 37.83 32.79 3kjj s LYS 114 CO 0.01 -0.26 1.45 1.03 -0.36 0.00 0.00 175.35 177.22 3kjj s ARG 115 N 0.95 4.18 0.34 4.03 3.00 -0.59 -4.96 118.95 125.91 3kjj s ARG 115 Ca 0.59 2.46 -0.26 0.00 0.00 0.00 0.00 55.73 58.52 3kjj s ARG 115 Cb -0.31 -3.01 -0.09 0.00 0.00 0.00 0.00 34.95 31.54 3kjj s ARG 115 CO 0.30 -0.45 1.02 -0.51 0.00 0.00 0.00 175.30 175.66 3kjj s ASP 116 N -0.14 7.09 0.00 0.23 -0.00 -1.26 -5.01 116.67 117.59 3kjj s ASP 116 Ca 0.53 2.02 0.30 0.00 -0.00 0.00 0.00 52.55 55.40 3kjj s ASP 116 Cb -0.45 -2.59 1.55 0.00 -0.00 0.00 0.00 42.92 41.43 3kjj s ASP 116 CO 0.58 -0.25 2.03 0.00 -0.00 0.00 0.00 175.17 177.52