#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 0.00 0.00 4.41 -0.00 -1.26 -4.95 115.22 113.42 3kjj n HIS 0 Ca 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 57.72 57.60 3kjj n HIS 0 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 29.99 29.74 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 1.73 -0.89 -4.81 4.39 8.00 -1.26 -3.63 116.55 120.08 3kjj n ASP 2 Ca 0.00 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.13 3kjj n ASP 2 Cb 0.07 0.53 -0.06 0.00 -0.02 0.00 0.00 41.12 41.64 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 -0.87 5.21 -0.10 0.53 1.01 -1.26 -4.14 121.20 121.58 3kjj s ILE 3 Ca 0.00 0.64 0.02 0.00 0.00 0.00 0.00 60.65 61.31 3kjj s ILE 3 Cb 0.00 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 3kjj s ILE 3 CO 0.00 0.52 -0.16 -0.60 0.00 0.00 0.00 174.94 174.71 3kjj s ARG 4 N -0.56 3.08 -0.01 2.79 6.06 0.14 -4.97 118.95 125.49 3kjj s ARG 4 Ca 0.20 -0.73 0.02 0.00 -2.50 0.00 0.00 55.73 52.72 3kjj s ARG 4 Cb -0.15 -2.50 -0.03 0.00 0.06 0.00 0.00 34.95 32.33 3kjj s ARG 4 CO 0.09 0.32 -0.02 0.71 -2.50 0.00 0.00 175.30 173.89 3kjj s TYR 5 N 0.06 3.01 -0.03 5.12 2.02 -1.26 0.16 117.35 126.43 3kjj s TYR 5 Ca -0.06 0.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.70 3kjj s TYR 5 Cb -0.15 -1.66 0.01 0.00 -0.40 0.00 0.00 41.96 39.76 3kjj s TYR 5 CO 0.05 0.43 -0.08 -0.06 -1.57 0.00 0.00 175.55 174.31 3kjj s PHE 6 N -1.04 0.97 -1.07 2.71 0.08 0.78 -4.83 117.98 115.58 3kjj s PHE 6 Ca 0.18 -0.27 -0.04 0.00 0.12 0.00 0.00 56.93 56.92 3kjj s PHE 6 Cb -0.11 -0.72 0.00 0.00 -0.57 0.00 0.00 43.02 41.62 3kjj s PHE 6 CO 0.09 -0.14 0.92 0.41 -0.10 0.00 0.00 175.22 176.39 3kjj n GLY 7 N 3.52 -0.27 3.72 4.36 0.00 -1.26 -1.49 105.19 113.77 3kjj n GLY 7 Ca -0.20 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.28 4.02 0.34 2.61 2.01 -1.26 -2.69 115.64 117.38 3kjj s THR 8 Ca 0.26 1.48 0.06 0.00 0.31 0.00 0.00 61.69 63.80 3kjj s THR 8 Cb -0.11 -3.95 -0.07 0.00 0.01 0.00 0.00 72.50 68.38 3kjj s THR 8 CO 0.61 0.14 0.00 0.42 -0.69 0.00 0.00 174.62 175.10 3kjj s THR 9 N 0.87 1.60 -0.12 -0.82 -4.23 0.15 -4.99 115.64 108.11 3kjj s THR 9 Ca 0.57 -2.05 0.18 0.00 -1.18 0.00 0.00 61.69 59.22 3kjj s THR 9 Cb -0.29 -2.75 0.18 0.00 1.34 0.00 0.00 72.50 70.97 3kjj s THR 9 CO 0.30 -0.09 1.51 -2.65 -0.54 0.00 0.00 174.62 173.15 3kjj n PRO 10 N -0.75 0.12 -0.07 3.99 -0.02 -1.26 -2.85 135.00 134.16 3kjj n PRO 10 Ca -0.04 0.61 -0.08 0.00 -2.02 0.00 0.00 63.50 61.97 3kjj n PRO 10 Cb 0.66 -2.01 -0.09 0.00 -0.02 0.00 0.00 33.50 32.04 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 -2.17 1.45 -3.49 -0.52 0.63 -1.26 -5.08 116.66 106.22 3kjj n ARG 11 Ca -0.01 0.03 -0.09 0.00 -0.92 0.00 0.00 57.85 56.85 3kjj n ARG 11 Cb 0.15 -1.33 -0.02 0.00 0.45 0.00 0.00 32.46 31.71 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 -2.31 -0.39 -0.09 -0.14 -0.85 -1.13 -5.15 117.35 107.28 3kjj s TYR 12 Ca -0.11 0.23 -0.02 0.00 -0.52 0.00 0.00 57.07 56.65 3kjj s TYR 12 Cb 0.04 0.55 -0.03 0.00 0.38 0.00 0.00 41.96 42.90 3kjj s TYR 12 CO 0.47 -0.63 -0.00 -1.12 -1.52 0.00 0.00 175.55 172.75 3kjj s SER 13 N -2.56 5.19 0.33 -0.18 0.01 -1.26 -0.68 113.70 114.55 3kjj s SER 13 Ca 0.04 0.12 0.02 0.00 1.31 0.00 0.00 55.95 57.45 3kjj s SER 13 Cb -0.01 -1.48 0.61 0.00 0.21 0.00 0.00 66.02 65.35 3kjj s SER 13 CO -0.10 0.36 1.94 -0.33 0.41 0.00 0.00 173.24 175.53 3kjj h GLU 14 N 5.26 0.90 -3.54 12.44 4.39 -1.05 -3.37 114.58 129.61 3kjj h GLU 14 Ca -0.50 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 58.99 3kjj h GLU 14 Cb 1.19 -0.20 -0.23 0.00 -0.10 0.00 0.00 28.75 29.41 3kjj h GLU 14 CO 0.55 0.59 -0.55 0.00 -1.16 0.00 0.00 179.01 178.45 3kjj s ALA 15 N -5.81 -0.26 -0.02 3.43 0.00 -0.68 -0.46 121.76 117.96 3kjj s ALA 15 Ca -0.11 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.84 3kjj s ALA 15 Cb 0.19 0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.33 3kjj s ALA 15 CO 0.79 -0.15 -0.04 0.08 0.00 0.00 0.00 175.76 176.43 3kjj s VAL 16 N -0.90 0.40 -0.05 0.00 1.01 0.24 -0.16 120.40 120.95 3kjj s VAL 16 Ca -0.10 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 61.81 3kjj s VAL 16 Cb -0.06 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.91 3kjj s VAL 16 CO 0.01 0.16 -0.21 -0.83 0.00 0.00 0.00 175.10 174.22 3kjj s GLY 17 N 0.44 1.11 -0.17 4.51 0.00 0.12 -0.49 107.32 112.84 3kjj s GLY 17 Ca -0.05 -0.88 -0.12 0.00 0.00 0.00 0.00 44.72 43.67 3kjj s GLY 17 CO -0.00 -0.53 0.43 0.00 0.00 0.00 0.00 173.10 172.99 3kjj s ALA 18 N -0.11 -1.09 -1.64 3.20 0.00 -0.24 0.28 121.76 122.15 3kjj s ALA 18 Ca -0.02 1.42 -0.14 0.00 0.00 0.00 0.00 51.96 53.22 3kjj s ALA 18 Cb -0.12 -0.85 0.12 0.00 0.00 0.00 0.00 23.12 22.27 3kjj s ALA 18 CO 0.03 -0.24 0.69 -1.71 0.00 0.00 0.00 175.76 174.52 3kjj n ASN 19 N 3.63 -2.59 0.00 0.00 4.05 -1.24 -0.66 115.26 118.45 3kjj n ASN 19 Ca -0.19 -1.02 0.00 0.00 0.45 0.00 0.00 54.58 53.82 3kjj n ASN 19 Cb 0.56 -2.78 0.00 0.00 1.23 0.00 0.00 39.78 38.79 3kjj n ASN 19 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3kjj n GLY 20 N -1.56 2.81 3.85 8.20 0.00 -1.26 -5.01 105.19 112.23 3kjj n GLY 20 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 4.08 -0.05 0.99 1.43 0.16 -0.29 118.68 125.00 3kjj s LEU 21 Ca 0.00 1.21 0.02 0.00 -1.03 0.00 0.00 54.13 54.33 3kjj s LEU 21 Cb 0.00 -4.01 0.01 0.00 0.03 0.00 0.00 46.19 42.23 3kjj s LEU 21 CO 0.00 -0.18 -0.10 -0.63 0.23 0.00 0.00 176.35 175.66 3kjj s ILE 22 N -1.96 0.95 -0.15 -0.59 1.01 0.19 -1.08 121.20 119.57 3kjj s ILE 22 Ca 0.53 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.80 3kjj s ILE 22 Cb -0.10 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.49 3kjj s ILE 22 CO 0.18 0.31 -0.19 -0.36 0.00 0.00 0.00 174.94 174.89 3kjj s PHE 23 N 0.59 2.74 -0.00 3.97 0.08 0.35 -1.36 117.98 124.35 3kjj s PHE 23 Ca -0.11 -1.26 -0.08 0.00 0.12 0.00 0.00 56.93 55.60 3kjj s PHE 23 Cb -0.14 -1.87 -0.05 0.00 -0.57 0.00 0.00 43.02 40.39 3kjj s PHE 23 CO 0.02 -0.59 0.28 -0.51 -0.10 0.00 0.00 175.22 174.32 3kjj s LEU 24 N 0.91 4.38 0.88 -0.37 1.02 -0.20 -0.59 118.68 124.71 3kjj s LEU 24 Ca -0.04 0.61 -0.11 0.00 0.02 0.00 0.00 54.13 54.61 3kjj s LEU 24 Cb -0.15 -2.62 0.13 0.00 0.02 0.00 0.00 46.19 43.57 3kjj s LEU 24 CO -0.03 0.27 1.16 -1.20 0.02 0.00 0.00 176.35 176.57 3kjj n SER 25 N 1.27 0.53 -3.61 2.29 7.64 0.39 -4.18 113.62 117.95 3kjj n SER 25 Ca -0.12 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.23 3kjj n SER 25 Cb 0.53 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 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 0.38 -3.30 0.00 0.23 0.00 -1.26 -4.55 105.19 96.68 3kjj n GLY 26 Ca 0.12 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.52 0.00 -1.99 1.61 0.24 -1.26 -4.92 118.33 110.49 3kjj n VAL 28 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 3kjj n VAL 28 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 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 4.25 -0.01 7.34 0.02 -1.26 -4.77 135.00 138.57 3kjj s PRO 29 Ca 0.00 2.31 0.22 0.00 0.02 0.00 0.00 61.00 63.54 3kjj s PRO 29 Cb 0.00 -3.15 -0.27 0.00 0.02 0.00 0.00 34.50 31.11 3kjj s PRO 29 CO 0.00 -0.51 0.72 0.39 -0.33 0.00 0.00 177.00 177.27 3kjj n GLU 30 N 3.32 0.31 -3.99 5.54 1.02 -1.26 -5.01 120.64 120.56 3kjj n GLU 30 Ca 0.11 -0.09 -0.09 0.00 -0.02 0.00 0.00 57.16 57.07 3kjj n GLU 30 Cb 0.40 -1.51 -0.08 0.00 -0.02 0.00 0.00 31.44 30.23 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 -3.72 0.12 0.00 1.62 0.01 -1.26 -5.15 114.94 106.56 3kjj s ASN 31 Ca 0.01 -0.92 0.00 0.00 -0.71 0.00 0.00 52.86 51.24 3kjj s ASN 31 Cb 0.15 0.39 0.00 0.00 0.41 0.00 0.00 41.25 42.20 3kjj s ASN 31 CO 0.88 -0.83 0.00 0.61 -1.51 0.00 0.00 177.10 176.25 3kjj n GLY 32 N -0.16 -2.08 0.56 0.66 0.00 -1.26 -4.30 105.19 98.61 3kjj n GLY 32 Ca -0.08 -1.43 -0.02 0.00 0.00 0.00 0.00 46.02 44.49 3kjj n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kjj n GLU 33 N -1.25 0.05 -1.57 1.61 4.71 -1.26 -4.67 120.64 118.26 3kjj n GLU 33 Ca 0.00 0.02 -0.31 0.00 -0.01 0.00 0.00 57.16 56.86 3kjj n GLU 33 Cb 0.00 -0.77 0.06 0.00 -1.01 0.00 0.00 31.44 29.72 3kjj n GLU 33 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 3kjj s THR 34 N -2.04 3.77 0.21 2.62 -4.23 -1.26 -4.83 115.64 109.88 3kjj s THR 34 Ca -0.03 0.58 -0.09 0.00 -1.18 0.00 0.00 61.69 60.96 3kjj s THR 34 Cb 0.01 -3.32 0.14 0.00 1.34 0.00 0.00 72.50 70.67 3kjj s THR 34 CO 0.05 -0.75 1.78 0.00 -0.54 0.00 0.00 174.62 175.15 3kjj h ALA 35 N -0.82 0.85 -0.56 3.99 0.00 -1.96 0.15 119.26 120.91 3kjj h ALA 35 Ca -0.45 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 3kjj h ALA 35 Cb 1.23 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3kjj h ALA 35 CO 0.57 -0.06 0.17 0.00 0.00 0.00 0.00 179.25 179.93 3kjj h ALA 36 N 1.38 0.74 -0.15 0.00 0.00 -1.94 0.11 119.26 119.40 3kjj h ALA 36 Ca 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3kjj h ALA 36 Cb 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3kjj h ALA 36 CO -0.24 0.41 0.05 0.93 0.00 0.00 0.00 179.25 180.40 3kjj h GLU 37 N 0.79 0.24 -0.30 0.00 5.08 -1.84 -2.21 114.58 116.34 3kjj h GLU 37 Ca 0.18 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.33 3kjj h GLU 37 Cb 0.29 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3kjj h GLU 37 CO -0.01 0.36 -0.45 1.96 -1.00 0.00 0.00 179.01 179.88 3kjj h GLN 38 N 0.07 0.78 -0.02 2.33 4.20 -0.83 -2.35 115.11 119.30 3kjj h GLN 38 Ca 0.05 -0.44 0.02 0.00 0.06 0.00 0.00 58.65 58.34 3kjj h GLN 38 Cb 0.22 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3kjj h GLN 38 CO -0.00 1.06 -0.08 1.15 -0.67 0.00 0.00 178.83 180.29 3kjj h THR 39 N 0.63 0.78 -0.98 -0.54 2.02 -0.80 -0.30 112.91 113.72 3kjj h THR 39 Ca 0.04 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.31 3kjj h THR 39 Cb 1.01 0.78 -0.07 0.00 -1.74 0.00 0.00 68.15 68.13 3kjj h THR 39 CO 0.10 0.00 0.62 0.00 0.37 0.00 0.00 175.52 176.61 3kjj h ALA 40 N 0.86 1.42 -0.50 6.16 0.00 -1.29 -0.67 119.26 125.24 3kjj h ALA 40 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3kjj h ALA 40 Cb 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3kjj h ALA 40 CO -0.10 0.32 -0.12 0.22 0.00 0.00 0.00 179.25 179.57 3kjj h ASP 41 N 1.06 0.97 -0.57 0.00 3.58 -0.87 -0.17 116.42 120.42 3kjj h ASP 41 Ca 0.45 -0.36 -0.05 0.00 0.42 0.00 0.00 57.03 57.50 3kjj h ASP 41 Cb 0.32 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 3kjj h ASP 41 CO -0.22 1.11 0.17 0.58 -2.88 0.00 0.00 179.24 178.00 3kjj h VAL 42 N 0.82 1.24 -0.33 2.25 2.07 -0.45 -1.48 116.25 120.38 3kjj h VAL 42 Ca 0.13 -0.83 -0.09 0.00 0.82 0.00 0.00 66.70 66.73 3kjj h VAL 42 Cb 0.68 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3kjj h VAL 42 CO 0.05 0.31 -0.19 -0.07 0.02 0.00 0.00 177.57 177.69 3kjj h LEU 43 N 0.80 0.60 -0.85 2.57 3.38 -0.97 -0.74 115.31 120.11 3kjj h LEU 43 Ca 0.18 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3kjj h LEU 43 Cb 0.30 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3kjj h LEU 43 CO -0.00 0.80 0.56 0.00 0.09 0.00 0.00 178.44 179.88 3kjj h ALA 44 N 1.26 1.08 -0.66 1.53 0.00 -0.68 -0.67 119.26 121.12 3kjj h ALA 44 Ca 0.09 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3kjj h ALA 44 Cb 0.62 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3kjj h ALA 44 CO 0.04 0.50 0.13 1.96 0.00 0.00 0.00 179.25 181.88 3kjj h GLN 45 N 1.16 1.08 -0.34 0.00 4.20 -0.75 -2.25 115.11 118.22 3kjj h GLN 45 Ca 0.31 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 3kjj h GLN 45 Cb -0.12 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 3kjj h GLN 45 CO -0.07 0.98 0.13 0.82 -0.67 0.00 0.00 178.83 180.03 3kjj h ILE 46 N 1.00 1.19 -0.49 2.54 2.04 -0.69 -1.52 117.51 121.58 3kjj h ILE 46 Ca 0.20 -0.57 0.10 0.00 1.00 0.00 0.00 64.86 65.59 3kjj h ILE 46 Cb 0.41 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 37.34 3kjj h ILE 46 CO 0.01 0.20 -0.03 0.44 0.00 0.00 0.00 178.15 178.77 3kjj h ASP 47 N 0.39 -0.26 -0.08 1.72 3.32 -1.06 0.64 116.42 121.10 3kjj h ASP 47 Ca 0.11 0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.30 3kjj h ASP 47 Cb 0.19 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3kjj h ASP 47 CO -0.01 -0.09 -0.02 0.03 -1.72 0.00 0.00 179.24 177.42 3kjj h ARG 48 N 0.09 -0.01 -0.26 3.56 3.08 -0.97 -2.06 114.38 117.81 3kjj h ARG 48 Ca 0.25 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.11 3kjj h ARG 48 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3kjj h ARG 48 CO -0.43 -0.00 -0.57 -1.49 -1.07 0.00 0.00 179.97 176.40 3kjj h TRP 49 N -0.01 1.02 -0.74 3.04 4.06 -1.08 -2.64 115.95 119.60 3kjj h TRP 49 Ca 0.04 -0.37 0.07 0.00 2.06 0.00 0.00 58.89 60.68 3kjj h TRP 49 Cb 0.07 -0.19 -0.06 0.00 -1.00 0.00 0.00 29.16 27.98 3kjj h TRP 49 CO -0.14 1.18 0.43 -0.07 -3.56 0.00 0.00 178.44 176.29 3kjj h LEU 50 N 0.61 0.65 -0.59 -4.49 3.38 -0.86 -2.64 115.31 111.38 3kjj h LEU 50 Ca 0.01 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3kjj h LEU 50 Cb 1.17 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3kjj h LEU 50 CO 0.12 0.41 -0.00 0.00 0.09 0.00 0.00 178.44 179.06 3kjj h ALA 51 N 1.38 0.79 -0.35 1.53 0.00 -1.21 0.31 119.26 121.71 3kjj h ALA 51 Ca 0.34 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3kjj h ALA 51 Cb 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3kjj h ALA 51 CO -0.19 0.63 0.23 0.93 0.00 0.00 0.00 179.25 180.85 3kjj h GLU 52 N 0.93 0.38 -0.03 0.00 5.08 -1.34 -1.73 114.58 117.88 3kjj h GLU 52 Ca 0.17 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3kjj h GLU 52 Cb 0.56 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3kjj h GLU 52 CO 0.03 0.25 0.00 0.00 -1.00 0.00 0.00 179.01 178.29 3kjj n GLY 54 N 1.04 0.19 1.99 0.00 0.00 -0.65 -4.78 105.19 102.98 3kjj n GLY 54 Ca 0.20 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 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 0.32 0.59 -3.17 1.61 2.88 0.10 -1.29 113.62 114.66 3kjj n SER 55 Ca -0.06 -2.32 -0.07 0.00 -1.33 0.00 0.00 58.87 55.10 3kjj n SER 55 Cb 0.55 0.76 0.02 0.00 -0.75 0.00 0.00 64.21 64.78 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 -2.48 -0.02 0.55 -3.46 1.47 -1.26 -2.88 116.67 108.59 3kjj s ASP 56 Ca 0.16 -0.92 0.26 0.00 1.18 0.00 0.00 52.55 53.23 3kjj s ASP 56 Cb 0.01 0.71 1.58 0.00 -0.34 0.00 0.00 42.92 44.88 3kjj s ASP 56 CO 0.12 -1.40 2.17 0.07 0.68 0.00 0.00 175.17 176.80 3kjj h LYS 57 N 2.00 0.00 -0.05 2.11 2.10 -1.94 -0.57 116.57 120.23 3kjj h LYS 57 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 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 0.37 0.05 0.00 0.00 -2.00 0.00 0.00 179.45 177.87 3kjj n ALA 58 N -2.35 2.58 -1.73 0.07 0.00 -1.26 -3.37 120.51 114.44 3kjj n ALA 58 Ca -0.03 -0.23 0.06 0.00 0.00 0.00 0.00 53.44 53.24 3kjj n ALA 58 Cb 0.14 -1.22 0.11 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.45 0.00 -2.99 0.00 8.25 -0.22 -4.97 115.22 114.84 3kjj n HIS 59 Ca 0.14 -0.89 -0.40 0.00 -0.26 0.00 0.00 57.72 56.31 3kjj n HIS 59 Cb 0.14 -0.17 -0.05 0.00 1.12 0.00 0.00 29.99 31.03 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 -1.87 4.95 -0.08 1.59 1.01 -1.22 -0.96 120.40 123.83 3kjj s VAL 60 Ca 0.29 1.56 -0.07 0.00 0.00 0.00 0.00 61.98 63.77 3kjj s VAL 60 Cb 0.29 -4.09 -0.27 0.00 0.00 0.00 0.00 36.38 32.30 3kjj s VAL 60 CO -0.05 0.27 0.51 -0.07 0.00 0.00 0.00 175.10 175.75 3kjj h LEU 61 N 6.50 0.45 -7.34 3.92 3.38 -1.10 -3.39 115.31 117.74 3kjj h LEU 61 Ca -0.42 -0.86 -0.13 0.00 0.09 0.00 0.00 57.88 56.56 3kjj h LEU 61 Cb 1.20 -0.15 -0.24 0.00 0.09 0.00 0.00 40.66 41.56 3kjj h LEU 61 CO 0.74 1.76 -0.27 -0.62 0.09 0.00 0.00 178.44 180.14 3kjj s ASP 62 N -7.06 -0.40 -0.04 -0.43 2.15 -0.55 -0.92 116.67 109.42 3kjj s ASP 62 Ca -0.18 0.77 -0.02 0.00 0.43 0.00 0.00 52.55 53.55 3kjj s ASP 62 Cb 0.06 0.78 0.03 0.00 -0.30 0.00 0.00 42.92 43.49 3kjj s ASP 62 CO 0.80 -0.14 0.05 0.00 -0.17 0.00 0.00 175.17 175.71 3kjj s ALA 63 N 0.28 0.32 -0.20 3.66 0.00 -0.23 -1.17 121.76 124.40 3kjj s ALA 63 Ca -0.01 0.13 -0.06 0.00 0.00 0.00 0.00 51.96 52.02 3kjj s ALA 63 Cb -0.03 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 3kjj s ALA 63 CO -0.00 -0.46 0.04 0.08 0.00 0.00 0.00 175.76 175.42 3kjj s VAL 64 N 2.06 4.36 -0.20 0.00 1.01 0.40 -2.00 120.40 126.02 3kjj s VAL 64 Ca 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 3kjj s VAL 64 Cb -0.12 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.27 3kjj s VAL 64 CO -0.03 0.42 -0.09 -0.63 0.00 0.00 0.00 175.10 174.76 3kjj s ILE 65 N 0.91 3.04 -0.18 2.22 1.01 -0.16 -0.36 121.20 127.68 3kjj s ILE 65 Ca 0.03 -0.61 -0.05 0.00 0.00 0.00 0.00 60.65 60.01 3kjj s ILE 65 Cb -0.14 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 3kjj s ILE 65 CO 0.02 0.46 0.00 -0.31 0.00 0.00 0.00 174.94 175.12 3kjj s TYR 66 N 1.28 3.08 -0.06 3.97 2.02 0.61 -1.56 117.35 126.69 3kjj s TYR 66 Ca 0.03 -0.26 0.06 0.00 -0.37 0.00 0.00 57.07 56.52 3kjj s TYR 66 Cb -0.14 -2.03 -0.01 0.00 -0.40 0.00 0.00 41.96 39.37 3kjj s TYR 66 CO -0.04 -0.07 -0.24 -0.51 -1.57 0.00 0.00 175.55 173.13 3kjj s LEU 67 N 0.60 2.16 0.37 -1.29 1.43 -0.43 -0.89 118.68 120.64 3kjj s LEU 67 Ca -0.00 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 52.69 3kjj s LEU 67 Cb -0.14 -1.40 0.74 0.00 0.03 0.00 0.00 46.19 45.42 3kjj s LEU 67 CO 0.02 0.25 1.93 -0.09 0.23 0.00 0.00 176.35 178.69 3kjj h ARG 68 N 6.05 0.39 0.00 1.70 2.43 -1.39 0.30 114.38 123.87 3kjj h ARG 68 Ca -0.32 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 3kjj h ARG 68 Cb 1.18 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3kjj h ARG 68 CO 0.48 0.43 0.00 -3.47 -1.51 0.00 0.00 179.97 175.90 3kjj n ASP 69 N -4.32 0.09 0.00 -3.80 4.64 -1.26 -4.61 116.55 107.30 3kjj n ASP 69 Ca 0.01 -0.47 0.00 0.00 -1.38 0.00 0.00 54.79 52.95 3kjj n ASP 69 Cb 0.22 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.30 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 0.24 0.00 0.28 0.27 0.00 -1.26 -4.34 105.19 100.37 3kjj n GLY 71 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 0.81 0.22 1.61 8.00 -1.26 -4.51 116.55 121.42 3kjj n ASP 72 Ca 0.00 -1.80 -0.17 0.00 0.71 0.00 0.00 54.79 53.53 3kjj n ASP 72 Cb 0.00 -0.08 -0.09 0.00 -0.02 0.00 0.00 41.12 40.93 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 0.97 -1.28 -0.58 1.24 3.20 -2.01 -3.00 116.97 115.51 3kjj h TYR 73 Ca 0.00 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.94 3kjj h TYR 73 Cb 0.22 0.52 -0.05 0.00 1.54 0.00 0.00 36.73 38.95 3kjj h TYR 73 CO 0.08 -0.60 0.30 0.00 -1.64 0.00 0.00 178.16 176.30 3kjj h ALA 74 N -0.55 0.76 0.00 1.82 0.00 -1.99 0.59 119.26 119.89 3kjj h ALA 74 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kjj h ALA 74 Cb 0.78 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3kjj h ALA 74 CO -0.13 -0.04 0.00 -1.91 0.00 0.00 0.00 179.25 177.16 3kjj n GLU 75 N -4.85 0.20 0.00 0.00 2.13 -1.13 -1.52 120.64 115.46 3kjj n GLU 75 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 3kjj n GLU 75 Cb 0.16 -1.16 0.00 0.00 0.27 0.00 0.00 31.44 30.71 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 0.51 0.00 -0.31 4.31 3.02 0.20 -3.28 115.26 119.71 3kjj n ASN 77 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 3kjj n ASN 77 Cb 0.06 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.34 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 1.24 0.95 7.41 0.00 -1.54 0.41 103.07 111.54 3kjj h GLY 78 Ca 0.00 -0.42 -0.20 0.00 0.00 0.00 0.00 47.33 46.71 3kjj h GLY 78 CO 0.00 0.36 -0.76 -2.08 0.00 0.00 0.00 176.54 174.06 3kjj h VAL 79 N 1.07 1.37 0.10 4.60 2.07 -1.85 -3.03 116.25 120.58 3kjj h VAL 79 Ca 0.34 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.74 3kjj h VAL 79 Cb 0.00 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 3kjj h VAL 79 CO -0.11 0.63 -0.11 -0.25 0.02 0.00 0.00 177.57 177.76 3kjj h TRP 80 N 0.11 -0.27 -0.86 1.57 2.91 -1.81 -2.47 115.95 115.13 3kjj h TRP 80 Ca -0.09 0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.00 3kjj h TRP 80 Cb 1.45 0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 30.14 3kjj h TRP 80 CO 0.13 -0.16 0.53 -0.44 -1.03 0.00 0.00 178.44 177.46 3kjj h ASP 81 N -0.23 0.81 1.02 2.65 3.32 -0.26 -0.31 116.42 123.42 3kjj h ASP 81 Ca 0.01 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3kjj h ASP 81 Cb 0.23 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3kjj h ASP 81 CO -0.03 0.51 0.00 0.00 -1.72 0.00 0.00 179.24 177.99 3kjj h ALA 82 N 1.42 1.00 0.06 3.45 0.00 -1.43 -3.30 119.26 120.47 3kjj h ALA 82 Ca 0.38 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.94 3kjj h ALA 82 Cb 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3kjj h ALA 82 CO -0.19 0.00 -2.00 1.87 0.00 0.00 0.00 179.25 178.93 3kjj n TRP 83 N -2.95 0.85 -1.19 0.00 -0.00 -0.24 -4.97 117.44 108.95 3kjj n TRP 83 Ca 0.01 0.23 -0.34 0.00 -0.00 0.00 0.00 57.50 57.39 3kjj n TRP 83 Cb 0.30 -1.10 0.11 0.00 -0.00 0.00 0.00 31.31 30.62 3kjj n TRP 83 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 3kjj n VAL 84 N -3.70 2.30 -3.21 5.87 0.24 -0.56 -4.97 118.33 114.30 3kjj n VAL 84 Ca -0.37 -0.27 -0.39 0.00 -2.04 0.00 0.00 64.34 61.28 3kjj n VAL 84 Cb 0.95 -1.16 -0.05 0.00 -1.47 0.00 0.00 33.84 32.10 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 -2.01 3.45 0.25 2.33 0.00 -1.26 -5.02 121.76 119.49 3kjj s ALA 85 Ca 0.73 -0.02 -0.31 0.00 0.00 0.00 0.00 51.96 52.36 3kjj s ALA 85 Cb -0.31 -2.76 -0.12 0.00 0.00 0.00 0.00 23.12 19.94 3kjj s ALA 85 CO 0.51 0.04 1.67 0.00 0.00 0.00 0.00 175.76 177.98 3kjj n ALA 86 N 3.32 2.74 -0.35 0.00 0.00 -1.26 -1.59 120.51 123.37 3kjj n ALA 86 Ca -0.06 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.77 3kjj n ALA 86 Cb 0.51 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.46 3kjj n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kjj n GLY 87 N 3.09 2.12 1.94 0.00 0.00 -1.26 -4.83 105.19 106.26 3kjj n GLY 87 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 1.30 -2.65 1.61 1.74 -0.62 -5.08 116.66 110.96 3kjj n ARG 88 Ca 0.00 -3.00 -0.40 0.00 -0.77 0.00 0.00 57.85 53.68 3kjj n ARG 88 Cb 0.00 -1.09 -0.05 0.00 -1.02 0.00 0.00 32.46 30.30 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 -2.41 3.85 0.84 0.55 -4.23 -1.19 -4.57 115.64 108.49 3kjj s THR 89 Ca 0.34 1.85 -0.12 0.00 -1.18 0.00 0.00 61.69 62.58 3kjj s THR 89 Cb 0.36 -4.17 0.11 0.00 1.34 0.00 0.00 72.50 70.14 3kjj s THR 89 CO -0.08 0.43 1.20 -2.16 -0.54 0.00 0.00 174.62 173.47 3kjj s PRO 90 N -1.33 1.64 0.61 3.99 0.04 -1.26 -5.04 135.00 133.66 3kjj s PRO 90 Ca 0.43 -0.06 -0.18 0.00 0.04 0.00 0.00 61.00 61.22 3kjj s PRO 90 Cb -0.28 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 3kjj s PRO 90 CO 0.35 -1.78 1.22 0.00 0.04 0.00 0.00 177.00 176.83 3kjj s ALA 91 N -3.63 2.49 -0.07 8.56 0.00 -0.09 -4.89 121.76 124.12 3kjj s ALA 91 Ca 0.65 1.02 -0.12 0.00 0.00 0.00 0.00 51.96 53.51 3kjj s ALA 91 Cb -0.09 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.59 3kjj s ALA 91 CO 0.50 -1.28 0.30 0.50 0.00 0.00 0.00 175.76 175.77 3kjj s ARG 92 N -3.40 0.50 0.03 0.00 3.52 -1.26 -1.07 118.95 117.27 3kjj s ARG 92 Ca 0.78 0.12 -0.02 0.00 -0.13 0.00 0.00 55.73 56.47 3kjj s ARG 92 Cb -0.31 0.23 -0.02 0.00 -1.56 0.00 0.00 34.95 33.29 3kjj s ARG 92 CO 0.35 -0.11 0.02 0.00 -0.81 0.00 0.00 175.30 174.75 3kjj s ALA 93 N -0.56 0.12 -0.11 6.12 0.00 -0.85 -4.99 121.76 121.50 3kjj s ALA 93 Ca -0.07 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 3kjj s ALA 93 Cb -0.04 0.20 0.05 0.00 0.00 0.00 0.00 23.12 23.34 3kjj s ALA 93 CO 0.02 -0.26 0.22 0.00 0.00 0.00 0.00 175.76 175.74 3kjj s VAL 95 N 2.07 0.72 -0.06 0.00 -7.23 -0.60 -5.00 120.40 110.30 3kjj s VAL 95 Ca -0.01 -1.86 -0.27 0.00 -1.81 0.00 0.00 61.98 58.03 3kjj s VAL 95 Cb -0.12 -1.59 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 3kjj s VAL 95 CO -0.07 -0.81 0.87 -0.70 -0.31 0.00 0.00 175.10 174.07 3kjj s GLU 96 N -3.59 4.46 -0.21 4.82 2.12 -1.26 -1.31 118.70 123.73 3kjj s GLU 96 Ca 0.10 1.17 -0.17 0.00 0.36 0.00 0.00 54.97 56.44 3kjj s GLU 96 Cb 0.03 -3.48 0.06 0.00 0.26 0.00 0.00 34.13 31.00 3kjj s GLU 96 CO -0.04 -0.09 0.54 0.00 -0.54 0.00 0.00 175.26 175.13 3kjj s ALA 97 N 1.23 -1.35 0.19 6.30 0.00 0.10 -4.87 121.76 123.36 3kjj s ALA 97 Ca 0.45 1.64 -0.31 0.00 0.00 0.00 0.00 51.96 53.74 3kjj s ALA 97 Cb -0.19 -0.96 -0.10 0.00 0.00 0.00 0.00 23.12 21.87 3kjj s ALA 97 CO 0.21 -0.27 1.47 0.50 0.00 0.00 0.00 175.76 177.67 3kjj s ARG 98 N 0.66 4.27 0.59 0.00 3.52 -1.26 -3.48 118.95 123.25 3kjj s ARG 98 Ca -0.03 2.27 0.03 0.00 -0.13 0.00 0.00 55.73 57.87 3kjj s ARG 98 Cb -0.05 -3.16 0.07 0.00 -1.56 0.00 0.00 34.95 30.26 3kjj s ARG 98 CO -0.04 -0.48 0.81 -0.51 -0.81 0.00 0.00 175.30 174.27 3kjj s LEU 99 N 0.45 3.21 0.56 -0.88 1.43 -1.26 -5.01 118.68 117.18 3kjj s LEU 99 Ca 0.64 -0.34 0.26 0.00 -1.03 0.00 0.00 54.13 53.65 3kjj s LEU 99 Cb -0.41 -2.33 1.61 0.00 0.03 0.00 0.00 46.19 45.09 3kjj s LEU 99 CO 0.36 -1.35 2.20 0.00 0.23 0.00 0.00 176.35 177.79 3kjj h ALA 100 N -0.01 1.61 -4.47 4.21 0.00 -1.95 -3.41 119.26 115.24 3kjj h ALA 100 Ca -0.38 -0.02 -0.66 0.00 0.00 0.00 0.00 54.91 53.85 3kjj h ALA 100 Cb 1.28 -0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.78 3kjj h ALA 100 CO 0.45 0.03 -0.87 1.03 0.00 0.00 0.00 179.25 179.89 3kjj s ARG 101 N -4.68 1.87 0.48 0.00 1.81 -1.26 -5.04 118.95 112.13 3kjj s ARG 101 Ca -0.05 -0.88 0.21 0.00 -1.72 0.00 0.00 55.73 53.29 3kjj s ARG 101 Cb 0.15 -1.85 1.21 0.00 -0.45 0.00 0.00 34.95 34.02 3kjj s ARG 101 CO 0.59 0.50 2.02 -1.35 -0.68 0.00 0.00 175.30 176.38 3kjj h PRO 102 N 5.42 0.00 0.00 3.54 0.11 -2.02 -2.50 132.00 136.55 3kjj h PRO 102 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3kjj h PRO 102 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3kjj h PRO 102 CO 0.47 0.17 0.00 0.93 -0.21 0.00 0.00 178.00 179.35 3kjj h GLU 103 N 0.00 0.00 -6.09 1.05 3.07 -1.96 -3.44 114.58 107.21 3kjj h GLU 103 Ca -0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.29 3kjj h GLU 103 Cb 0.35 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.21 3kjj h GLU 103 CO 0.02 0.00 0.53 -1.58 -1.40 0.00 0.00 179.01 176.58 3kjj s TRP 104 N -3.27 3.45 -0.09 4.33 0.51 -0.94 -4.93 118.94 117.99 3kjj s TRP 104 Ca 0.06 1.43 0.22 0.00 -2.12 0.00 0.00 56.10 55.69 3kjj s TRP 104 Cb 0.10 -3.12 -0.24 0.00 -0.81 0.00 0.00 33.47 29.40 3kjj s TRP 104 CO 0.50 -0.27 0.64 0.54 -0.51 0.00 0.00 176.95 177.84 3kjj n ARG 105 N 5.31 0.64 -3.76 4.98 1.74 -1.26 -4.57 116.66 119.75 3kjj n ARG 105 Ca 0.07 -0.10 -0.13 0.00 -0.77 0.00 0.00 57.85 56.92 3kjj n ARG 105 Cb 0.48 -1.61 -0.10 0.00 -1.02 0.00 0.00 32.46 30.21 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 -3.45 0.03 -0.08 1.55 0.11 -1.26 -1.81 120.40 115.50 3kjj s VAL 106 Ca -0.06 -0.26 -0.04 0.00 -2.93 0.00 0.00 61.98 58.69 3kjj s VAL 106 Cb 0.12 -0.55 0.04 0.00 -1.53 0.00 0.00 36.38 34.46 3kjj s VAL 106 CO 0.87 -0.14 0.19 -0.70 -3.33 0.00 0.00 175.10 171.99 3kjj s GLU 107 N -0.65 0.16 -0.10 1.54 2.12 -0.06 -4.20 118.70 117.51 3kjj s GLU 107 Ca -0.08 0.40 0.03 0.00 0.36 0.00 0.00 54.97 55.69 3kjj s GLU 107 Cb -0.04 -0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.26 3kjj s GLU 107 CO 0.03 -0.13 -0.21 0.42 -0.54 0.00 0.00 175.26 174.82 3kjj s ILE 108 N 0.97 1.85 -0.21 -3.70 1.01 -1.26 -0.29 121.20 119.57 3kjj s ILE 108 Ca -0.07 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 59.65 3kjj s ILE 108 Cb -0.09 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 3kjj s ILE 108 CO -0.06 0.51 -0.05 -0.75 0.00 0.00 0.00 174.94 174.60 3kjj s LYS 109 N 0.47 3.41 -0.08 2.79 2.47 0.52 -4.47 119.74 124.85 3kjj s LYS 109 Ca -0.17 -0.61 0.02 0.00 -1.56 0.00 0.00 55.97 53.65 3kjj s LYS 109 Cb -0.17 -2.98 -0.02 0.00 -1.46 0.00 0.00 37.83 33.19 3kjj s LYS 109 CO 0.07 -0.13 -0.13 0.42 0.16 0.00 0.00 175.35 175.74 3kjj s ILE 110 N 1.29 3.11 -0.09 5.43 -1.09 -1.26 -0.46 121.20 128.14 3kjj s ILE 110 Ca 0.04 -0.68 0.03 0.00 -2.23 0.00 0.00 60.65 57.81 3kjj s ILE 110 Cb -0.14 -2.25 -0.01 0.00 -1.58 0.00 0.00 42.46 38.47 3kjj s ILE 110 CO -0.02 0.57 -0.19 -0.89 -1.23 0.00 0.00 174.94 173.17 3kjj s THR 111 N -0.32 2.52 0.31 2.92 2.01 -0.32 -1.04 115.64 121.73 3kjj s THR 111 Ca 0.03 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.17 3kjj s THR 111 Cb -0.13 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 3kjj s THR 111 CO 0.03 0.56 0.34 0.00 -0.69 0.00 0.00 174.62 174.85 3kjj s ALA 112 N -0.01 1.31 0.04 7.40 0.00 -0.46 -0.49 121.76 129.55 3kjj s ALA 112 Ca -0.06 -1.79 0.09 0.00 0.00 0.00 0.00 51.96 50.20 3kjj s ALA 112 Cb -0.15 1.34 -0.03 0.00 0.00 0.00 0.00 23.12 24.28 3kjj s ALA 112 CO 0.05 -0.71 -0.26 0.54 0.00 0.00 0.00 175.76 175.38 3kjj s VAL 113 N -3.42 2.08 0.20 0.00 0.11 -0.13 -0.63 120.40 118.60 3kjj s VAL 113 Ca 0.36 -1.35 -0.30 0.00 -2.93 0.00 0.00 61.98 57.76 3kjj s VAL 113 Cb 0.02 -1.78 -0.09 0.00 -1.53 0.00 0.00 36.38 33.01 3kjj s VAL 113 CO 0.22 0.37 1.31 -0.75 -3.33 0.00 0.00 175.10 172.92 3kjj s LYS 114 N -1.18 4.38 0.34 1.54 2.20 0.60 -4.64 119.74 122.99 3kjj s LYS 114 Ca 0.11 2.06 -0.29 0.00 -0.36 0.00 0.00 55.97 57.49 3kjj s LYS 114 Cb -0.10 -3.20 -0.11 0.00 -1.51 0.00 0.00 37.83 32.92 3kjj s LYS 114 CO 0.02 -0.26 1.37 1.03 -0.36 0.00 0.00 175.35 177.15 3kjj s ARG 115 N -0.07 4.27 0.59 4.03 0.52 -0.41 -5.00 118.95 122.88 3kjj s ARG 115 Ca 0.57 2.34 -0.13 0.00 -0.52 0.00 0.00 55.73 57.99 3kjj s ARG 115 Cb -0.36 -3.04 -0.05 0.00 0.52 0.00 0.00 34.95 32.02 3kjj s ARG 115 CO 0.38 -0.31 1.02 -0.51 0.02 0.00 0.00 175.30 175.90 3kjj s ASP 116 N -0.34 6.23 0.00 0.23 -0.00 -1.26 -5.01 116.67 116.52 3kjj s ASP 116 Ca 0.51 1.53 0.00 0.00 -0.00 0.00 0.00 52.55 54.59 3kjj s ASP 116 Cb -0.42 -2.49 0.00 0.00 -0.00 0.00 0.00 42.92 40.01 3kjj s ASP 116 CO 0.56 -0.86 0.02 0.00 -0.00 0.00 0.00 175.17 174.88