#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjj n ASP 2 N 0.00 0.00 -4.83 0.26 9.92 -1.26 -4.49 116.55 116.15 3kjj n ASP 2 Ca 0.00 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 53.90 3kjj n ASP 2 Cb 0.00 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.41 3kjj n ASP 2 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kjj s ILE 3 N -0.89 5.34 -0.09 0.53 1.01 -1.26 -4.28 121.20 121.56 3kjj s ILE 3 Ca 0.00 0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.83 3kjj s ILE 3 Cb 0.00 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 3kjj s ILE 3 CO 0.00 0.59 -0.17 -0.60 0.00 0.00 0.00 174.94 174.75 3kjj s ARG 4 N -0.75 2.91 -0.05 2.79 3.52 -0.44 -4.98 118.95 121.95 3kjj s ARG 4 Ca 0.13 -0.76 0.02 0.00 -0.13 0.00 0.00 55.73 54.99 3kjj s ARG 4 Cb -0.12 -2.42 -0.03 0.00 -1.56 0.00 0.00 34.95 30.83 3kjj s ARG 4 CO 0.03 0.36 -0.09 0.71 -0.81 0.00 0.00 175.30 175.50 3kjj s TYR 5 N -0.06 2.86 -0.03 5.12 2.02 -1.26 -0.68 117.35 125.32 3kjj s TYR 5 Ca -0.04 -0.04 0.04 0.00 -0.37 0.00 0.00 57.07 56.66 3kjj s TYR 5 Cb -0.14 -1.67 -0.00 0.00 -0.40 0.00 0.00 41.96 39.74 3kjj s TYR 5 CO 0.04 0.30 -0.14 -0.06 -1.57 0.00 0.00 175.55 174.12 3kjj s PHE 6 N -0.81 1.36 -1.35 2.71 0.08 1.00 -4.77 117.98 116.19 3kjj s PHE 6 Ca 0.13 -0.34 -0.07 0.00 0.12 0.00 0.00 56.93 56.77 3kjj s PHE 6 Cb -0.11 -0.92 0.02 0.00 -0.57 0.00 0.00 43.02 41.45 3kjj s PHE 6 CO 0.02 -0.10 1.03 0.41 -0.10 0.00 0.00 175.22 176.48 3kjj n GLY 7 N 3.05 -0.45 3.72 4.36 0.00 -1.26 -1.27 105.19 113.33 3kjj n GLY 7 Ca -0.17 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.38 3.01 0.43 2.61 2.01 -1.26 -2.74 115.64 116.32 3kjj s THR 8 Ca 0.38 0.73 0.06 0.00 0.31 0.00 0.00 61.69 63.17 3kjj s THR 8 Cb -0.18 -3.47 -0.06 0.00 0.01 0.00 0.00 72.50 68.81 3kjj s THR 8 CO 0.76 0.06 0.06 0.42 -0.69 0.00 0.00 174.62 175.24 3kjj s THR 9 N 1.03 1.92 -1.01 -0.82 -4.23 0.16 -4.98 115.64 107.72 3kjj s THR 9 Ca 0.66 -1.91 0.11 0.00 -1.18 0.00 0.00 61.69 59.37 3kjj s THR 9 Cb -0.40 -2.83 0.09 0.00 1.34 0.00 0.00 72.50 70.71 3kjj s THR 9 CO 0.31 0.00 1.36 -0.81 -0.54 0.00 0.00 174.62 174.94 3kjj n PRO 10 N -1.11 0.00 -0.12 3.99 -0.04 -1.26 -3.48 135.00 132.98 3kjj n PRO 10 Ca -0.06 0.30 -0.22 0.00 -0.04 0.00 0.00 63.50 63.48 3kjj n PRO 10 Cb 0.66 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.52 3kjj n PRO 10 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3kjj n ARG 11 N -1.50 0.56 -3.97 0.54 0.63 -1.26 -5.09 116.66 106.57 3kjj n ARG 11 Ca 0.03 0.18 -0.09 0.00 -0.92 0.00 0.00 57.85 57.05 3kjj n ARG 11 Cb 0.13 -1.43 -0.06 0.00 0.45 0.00 0.00 32.46 31.55 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 -2.46 0.36 -0.06 -0.14 -0.85 -1.23 -5.16 117.35 107.81 3kjj s TYR 12 Ca -0.33 -0.72 0.04 0.00 -0.52 0.00 0.00 57.07 55.54 3kjj s TYR 12 Cb 0.11 0.12 -0.02 0.00 0.38 0.00 0.00 41.96 42.55 3kjj s TYR 12 CO 0.49 -0.91 -0.17 -1.12 -1.52 0.00 0.00 175.55 172.32 3kjj s SER 13 N -3.00 3.74 0.32 -0.18 0.01 -1.26 0.38 113.70 113.71 3kjj s SER 13 Ca 0.21 -0.30 -0.00 0.00 1.31 0.00 0.00 55.95 57.17 3kjj s SER 13 Cb 0.01 -0.87 0.52 0.00 0.21 0.00 0.00 66.02 65.89 3kjj s SER 13 CO 0.06 0.30 1.97 -0.33 0.41 0.00 0.00 173.24 175.66 3kjj h GLU 14 N 5.65 0.94 -3.46 12.44 4.39 -0.99 -3.35 114.58 130.21 3kjj h GLU 14 Ca -0.41 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.06 3kjj h GLU 14 Cb 1.16 -0.21 -0.22 0.00 -0.10 0.00 0.00 28.75 29.38 3kjj h GLU 14 CO 0.50 0.65 -0.50 0.00 -1.16 0.00 0.00 179.01 178.50 3kjj s ALA 15 N -5.75 -0.35 -0.02 3.43 0.00 -0.81 -0.11 121.76 118.15 3kjj s ALA 15 Ca -0.11 0.06 0.02 0.00 0.00 0.00 0.00 51.96 51.93 3kjj s ALA 15 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.28 3kjj s ALA 15 CO 0.78 -0.17 -0.08 0.14 0.00 0.00 0.00 175.76 176.44 3kjj s VAL 16 N -0.92 0.66 -0.06 0.00 -7.23 0.28 -0.00 120.40 113.12 3kjj s VAL 16 Ca -0.10 -0.31 0.04 0.00 -1.81 0.00 0.00 61.98 59.80 3kjj s VAL 16 Cb -0.06 -0.58 0.00 0.00 0.56 0.00 0.00 36.38 36.31 3kjj s VAL 16 CO 0.01 0.20 -0.18 -0.83 -0.31 0.00 0.00 175.10 174.00 3kjj s GLY 17 N 0.09 0.99 -0.12 2.32 0.00 0.14 -1.06 107.32 109.69 3kjj s GLY 17 Ca -0.01 -0.69 -0.05 0.00 0.00 0.00 0.00 44.72 43.97 3kjj s GLY 17 CO 0.00 -0.24 0.27 0.00 0.00 0.00 0.00 173.10 173.13 3kjj s ALA 18 N 0.25 -0.61 -1.35 3.20 0.00 -0.15 -1.32 121.76 121.78 3kjj s ALA 18 Ca -0.10 1.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.88 3kjj s ALA 18 Cb -0.14 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.19 3kjj s ALA 18 CO 0.04 -0.37 0.73 -1.71 0.00 0.00 0.00 175.76 174.46 3kjj n ASN 19 N 4.64 -1.71 0.00 0.00 5.15 -1.26 -1.69 115.26 120.39 3kjj n ASN 19 Ca -0.18 -0.82 0.00 0.00 -0.60 0.00 0.00 54.58 52.98 3kjj n ASN 19 Cb 0.52 -4.00 0.00 0.00 -0.53 0.00 0.00 39.78 35.77 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 -1.61 2.06 3.89 8.20 0.00 -1.26 -5.00 105.19 111.47 3kjj n GLY 20 Ca -0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 3kjj n GLY 20 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kjj s LEU 21 N 0.00 4.33 -0.05 0.99 2.96 -0.68 0.35 118.68 126.58 3kjj s LEU 21 Ca 0.00 0.59 -0.00 0.00 -0.22 0.00 0.00 54.13 54.50 3kjj s LEU 21 Cb 0.00 -2.96 0.03 0.00 0.50 0.00 0.00 46.19 43.75 3kjj s LEU 21 CO 0.00 0.17 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.56 3kjj s ILE 22 N -1.45 0.34 -0.16 6.68 1.01 -0.05 -0.98 121.20 126.59 3kjj s ILE 22 Ca 0.34 0.07 -0.00 0.00 0.00 0.00 0.00 60.65 61.05 3kjj s ILE 22 Cb -0.13 -0.46 -0.01 0.00 0.01 0.00 0.00 42.46 41.88 3kjj s ILE 22 CO 0.20 0.22 -0.13 -0.36 0.00 0.00 0.00 174.94 174.87 3kjj s PHE 23 N 1.49 2.82 0.06 3.97 0.08 -0.22 -0.45 117.98 125.72 3kjj s PHE 23 Ca -0.03 -0.94 -0.01 0.00 0.12 0.00 0.00 56.93 56.07 3kjj s PHE 23 Cb -0.13 -1.91 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 3kjj s PHE 23 CO -0.03 -0.43 0.23 -0.51 -0.10 0.00 0.00 175.22 174.38 3kjj s LEU 24 N 0.80 4.35 1.01 -0.37 1.43 -0.42 -0.56 118.68 124.93 3kjj s LEU 24 Ca -0.05 0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 53.26 3kjj s LEU 24 Cb -0.15 -2.95 0.20 0.00 0.03 0.00 0.00 46.19 43.31 3kjj s LEU 24 CO 0.00 0.17 1.09 -0.44 0.23 0.00 0.00 176.35 177.41 3kjj s SER 25 N -2.42 2.18 0.23 2.29 0.01 0.85 -4.19 113.70 112.65 3kjj s SER 25 Ca 0.35 1.88 0.00 0.00 1.31 0.00 0.00 55.95 59.49 3kjj s SER 25 Cb -0.13 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.66 3kjj s SER 25 CO 0.26 -3.51 0.00 0.61 0.41 0.00 0.00 173.24 171.01 3kjj n GLY 26 N 0.35 -3.19 0.00 3.44 0.00 -1.26 -4.59 105.19 99.94 3kjj n GLY 26 Ca 0.08 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.33 0.00 -2.11 1.61 0.24 -1.26 -4.92 118.33 110.56 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 4.27 -0.12 7.34 0.02 -1.26 -4.74 135.00 138.51 3kjj s PRO 29 Ca 0.00 2.12 0.19 0.00 0.02 0.00 0.00 61.00 63.33 3kjj s PRO 29 Cb 0.00 -3.43 -0.28 0.00 0.02 0.00 0.00 34.50 30.81 3kjj s PRO 29 CO 0.00 -0.57 0.27 0.39 -0.33 0.00 0.00 177.00 176.76 3kjj n GLU 30 N 4.81 0.67 -4.12 5.54 1.02 -1.26 -4.99 120.64 122.31 3kjj n GLU 30 Ca 0.13 -0.07 -0.12 0.00 -0.02 0.00 0.00 57.16 57.08 3kjj n GLU 30 Cb 0.42 -1.54 -0.11 0.00 -0.02 0.00 0.00 31.44 30.20 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 -5.14 1.05 0.00 1.62 0.01 -1.26 -5.14 114.94 106.08 3kjj s ASN 31 Ca -0.09 -0.75 0.00 0.00 -0.71 0.00 0.00 52.86 51.32 3kjj s ASN 31 Cb 0.09 0.05 0.00 0.00 0.41 0.00 0.00 41.25 41.80 3kjj s ASN 31 CO 0.86 -0.30 0.00 0.61 -1.51 0.00 0.00 177.10 176.76 3kjj n GLY 32 N 0.81 2.54 0.65 0.66 0.00 -1.26 -4.03 105.19 104.57 3kjj n GLY 32 Ca -0.18 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 43.91 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 1.12 0.22 -1.53 1.61 4.07 -1.26 -4.73 120.64 120.14 3kjj n GLU 33 Ca 0.00 0.09 -0.31 0.00 -0.06 0.00 0.00 57.16 56.89 3kjj n GLU 33 Cb 0.00 -0.88 0.07 0.00 -0.06 0.00 0.00 31.44 30.56 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 -2.19 3.72 0.36 6.31 -4.23 -1.26 -4.87 115.64 113.48 3kjj s THR 34 Ca -0.14 0.56 0.03 0.00 -1.18 0.00 0.00 61.69 60.96 3kjj s THR 34 Cb 0.05 -3.27 0.26 0.00 1.34 0.00 0.00 72.50 70.88 3kjj s THR 34 CO 0.18 -0.73 2.01 0.00 -0.54 0.00 0.00 174.62 175.54 3kjj h ALA 35 N -0.86 1.56 -0.62 3.99 0.00 -1.96 -1.45 119.26 119.91 3kjj h ALA 35 Ca -0.45 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 3kjj h ALA 35 Cb 1.23 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3kjj h ALA 35 CO 0.57 0.40 0.09 0.00 0.00 0.00 0.00 179.25 180.31 3kjj h ALA 36 N 1.62 0.83 -0.21 0.00 0.00 -1.93 0.45 119.26 120.02 3kjj h ALA 36 Ca 0.21 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3kjj h ALA 36 Cb -0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3kjj h ALA 36 CO -0.04 0.60 -0.30 0.93 0.00 0.00 0.00 179.25 180.43 3kjj h GLU 37 N 0.95 0.58 -0.31 0.00 5.08 -1.84 -2.31 114.58 116.74 3kjj h GLU 37 Ca 0.19 -0.34 -0.15 0.00 -1.00 0.00 0.00 59.36 58.06 3kjj h GLU 37 Cb 0.44 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3kjj h GLU 37 CO 0.01 0.95 -0.40 1.96 -1.00 0.00 0.00 179.01 180.53 3kjj h GLN 38 N 0.27 0.74 0.11 2.33 4.20 -1.26 -2.35 115.11 119.13 3kjj h GLN 38 Ca 0.02 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 3kjj h GLN 38 Cb 0.88 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.67 3kjj h GLN 38 CO 0.07 1.00 -0.05 1.15 -0.67 0.00 0.00 178.83 180.33 3kjj h THR 39 N 0.60 0.94 -0.98 -0.54 2.02 -0.93 -0.13 112.91 113.90 3kjj h THR 39 Ca 0.05 -0.18 0.13 0.00 0.77 0.00 0.00 66.41 67.18 3kjj h THR 39 Cb 0.94 1.06 -0.08 0.00 -1.74 0.00 0.00 68.15 68.33 3kjj h THR 39 CO 0.09 0.04 0.62 0.00 0.37 0.00 0.00 175.52 176.64 3kjj h ALA 40 N 0.66 1.61 -0.14 6.16 0.00 -1.38 -0.39 119.26 125.78 3kjj h ALA 40 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3kjj h ALA 40 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kjj h ALA 40 CO 0.02 0.14 0.04 0.22 0.00 0.00 0.00 179.25 179.67 3kjj h ASP 41 N 0.91 0.20 -0.42 0.00 3.58 -1.08 -1.20 116.42 118.40 3kjj h ASP 41 Ca 0.49 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 3kjj h ASP 41 Cb 0.57 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 3kjj h ASP 41 CO -0.26 0.35 0.24 0.58 -2.88 0.00 0.00 179.24 177.26 3kjj h VAL 42 N 0.04 1.15 -0.47 2.25 2.07 -0.35 -1.94 116.25 119.00 3kjj h VAL 42 Ca 0.04 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 3kjj h VAL 42 Cb 0.22 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3kjj h VAL 42 CO -0.00 0.16 0.17 -0.07 0.02 0.00 0.00 177.57 177.84 3kjj h LEU 43 N 0.55 0.62 -0.59 2.57 3.38 -1.02 -1.76 115.31 119.07 3kjj h LEU 43 Ca 0.15 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3kjj h LEU 43 Cb 0.05 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3kjj h LEU 43 CO -0.02 0.58 0.32 0.00 0.09 0.00 0.00 178.44 179.41 3kjj h ALA 44 N 1.51 0.75 -0.84 1.53 0.00 -0.71 -1.07 119.26 120.42 3kjj h ALA 44 Ca 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3kjj h ALA 44 Cb 0.17 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3kjj h ALA 44 CO -0.01 0.27 0.40 1.96 0.00 0.00 0.00 179.25 181.87 3kjj h GLN 45 N 0.79 1.21 -0.05 0.00 4.20 -0.81 -1.73 115.11 118.71 3kjj h GLN 45 Ca 0.21 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.75 3kjj h GLN 45 Cb 0.04 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 3kjj h GLN 45 CO -0.03 0.93 0.01 0.82 -0.67 0.00 0.00 178.83 179.89 3kjj h ILE 46 N 1.20 0.98 -0.77 2.54 2.04 -1.01 -0.41 117.51 122.07 3kjj h ILE 46 Ca 0.29 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 66.21 3kjj h ILE 46 Cb 0.12 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 3kjj h ILE 46 CO -0.04 0.01 0.44 0.44 0.00 0.00 0.00 178.15 179.00 3kjj h ASP 47 N 0.04 0.65 -0.14 1.72 3.32 -1.02 -0.15 116.42 120.84 3kjj h ASP 47 Ca 0.02 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3kjj h ASP 47 Cb 0.02 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3kjj h ASP 47 CO -0.03 0.40 0.06 -0.09 -1.72 0.00 0.00 179.24 177.86 3kjj h ARG 48 N 0.78 0.20 -0.08 3.56 1.12 -0.93 -2.69 114.38 116.35 3kjj h ARG 48 Ca 0.36 -0.03 -0.17 0.00 -1.11 0.00 0.00 59.98 59.02 3kjj h ARG 48 Cb 0.27 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.18 3kjj h ARG 48 CO -0.21 0.27 -0.70 -1.49 -3.11 0.00 0.00 179.97 174.73 3kjj h TRP 49 N 0.09 0.48 -0.45 2.20 4.06 -0.83 -2.84 115.95 118.66 3kjj h TRP 49 Ca 0.05 -0.21 -0.01 0.00 2.06 0.00 0.00 58.89 60.78 3kjj h TRP 49 Cb 0.14 -0.08 -0.02 0.00 -1.00 0.00 0.00 29.16 28.20 3kjj h TRP 49 CO -0.02 0.95 0.23 -0.07 -3.56 0.00 0.00 178.44 175.96 3kjj h LEU 50 N 0.25 0.57 -0.46 -4.49 3.38 -1.06 -2.56 115.31 110.94 3kjj h LEU 50 Ca -0.02 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3kjj h LEU 50 Cb 1.26 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 3kjj h LEU 50 CO 0.12 0.52 0.31 0.00 0.09 0.00 0.00 178.44 179.47 3kjj h ALA 51 N 1.08 0.59 -0.35 1.53 0.00 -1.24 0.20 119.26 121.06 3kjj h ALA 51 Ca 0.16 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.13 3kjj h ALA 51 Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3kjj h ALA 51 CO -0.02 0.04 0.26 0.93 0.00 0.00 0.00 179.25 180.46 3kjj h GLU 52 N 0.63 0.00 -0.01 0.00 5.08 -1.43 0.05 114.58 118.90 3kjj h GLU 52 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3kjj h GLU 52 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3kjj h GLU 52 CO -0.04 0.00 -0.22 0.00 -1.00 0.00 0.00 179.01 177.76 3kjj n GLY 54 N 1.33 0.83 2.41 0.00 0.00 0.00 -4.86 105.19 104.90 3kjj n GLY 54 Ca 0.13 -0.63 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 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 1.42 -0.15 -2.42 1.61 2.88 0.50 -1.96 113.62 115.49 3kjj n SER 55 Ca 0.00 -2.63 -0.07 0.00 -1.33 0.00 0.00 58.87 54.84 3kjj n SER 55 Cb 0.37 1.14 0.02 0.00 -0.75 0.00 0.00 64.21 64.99 3kjj n SER 55 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3kjj n ASP 56 N -1.94 -1.79 0.25 -3.46 5.68 -1.26 -2.65 116.55 111.37 3kjj n ASP 56 Ca 0.04 -2.28 0.12 0.00 -0.50 0.00 0.00 54.79 52.17 3kjj n ASP 56 Cb 0.45 2.99 0.64 0.00 -1.14 0.00 0.00 41.12 44.07 3kjj n ASP 56 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3kjj h LYS 57 N 0.00 0.00 0.00 0.11 2.10 -1.94 -2.06 116.57 114.79 3kjj h LYS 57 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 3kjj h LYS 57 Cb 0.98 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.31 3kjj h LYS 57 CO 0.34 0.15 0.00 0.00 -2.00 0.00 0.00 179.45 177.94 3kjj n ALA 58 N -2.25 2.63 -1.75 0.07 0.00 -1.26 -3.17 120.51 114.77 3kjj n ALA 58 Ca -0.01 -0.15 0.05 0.00 0.00 0.00 0.00 53.44 53.33 3kjj n ALA 58 Cb 0.30 -1.38 0.08 0.00 0.00 0.00 0.00 19.45 18.45 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 -3.00 0.00 8.25 -0.78 -4.96 115.22 113.86 3kjj n HIS 59 Ca 0.17 -0.63 -0.39 0.00 -0.26 0.00 0.00 57.72 56.61 3kjj n HIS 59 Cb 0.08 -0.13 -0.06 0.00 1.12 0.00 0.00 29.99 31.00 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 -1.37 4.40 -0.25 1.59 1.01 -1.19 -0.87 120.40 123.72 3kjj s VAL 60 Ca 0.22 1.67 -0.11 0.00 0.00 0.00 0.00 61.98 63.76 3kjj s VAL 60 Cb 0.22 -4.12 -0.15 0.00 0.00 0.00 0.00 36.38 32.32 3kjj s VAL 60 CO -0.03 0.52 -0.19 0.18 0.00 0.00 0.00 175.10 175.57 3kjj n LEU 61 N 1.65 2.25 -3.90 3.92 4.77 0.29 -4.49 117.00 121.50 3kjj n LEU 61 Ca -0.06 0.22 -0.10 0.00 -0.03 0.00 0.00 56.01 56.05 3kjj n LEU 61 Cb 0.49 -0.88 -0.09 0.00 -2.33 0.00 0.00 43.42 40.60 3kjj n LEU 61 CO 0.46 0.64 -0.17 -0.62 -1.33 0.00 0.00 177.39 176.38 3kjj s ASP 62 N -7.14 0.12 -0.16 -1.43 2.15 -0.71 -1.38 116.67 108.12 3kjj s ASP 62 Ca -0.35 -0.48 -0.06 0.00 0.43 0.00 0.00 52.55 52.09 3kjj s ASP 62 Cb 0.12 0.25 0.07 0.00 -0.30 0.00 0.00 42.92 43.06 3kjj s ASP 62 CO 0.55 -0.54 0.35 0.00 -0.17 0.00 0.00 175.17 175.37 3kjj s ALA 63 N -2.64 -0.88 -0.23 3.66 0.00 -0.15 -2.07 121.76 119.44 3kjj s ALA 63 Ca -0.05 1.27 -0.09 0.00 0.00 0.00 0.00 51.96 53.10 3kjj s ALA 63 Cb -0.01 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 3kjj s ALA 63 CO -0.05 -0.61 0.10 0.08 0.00 0.00 0.00 175.76 175.29 3kjj s VAL 64 N 2.29 4.82 -0.18 0.00 1.01 0.06 -1.58 120.40 126.82 3kjj s VAL 64 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 3kjj s VAL 64 Cb -0.11 -3.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 3kjj s VAL 64 CO -0.11 0.37 -0.12 -0.63 0.00 0.00 0.00 175.10 174.61 3kjj s ILE 65 N 1.11 2.86 -0.17 2.22 1.01 0.13 -0.15 121.20 128.22 3kjj s ILE 65 Ca 0.05 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 59.97 3kjj s ILE 65 Cb -0.14 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 3kjj s ILE 65 CO 0.04 0.49 0.01 -0.31 0.00 0.00 0.00 174.94 175.16 3kjj s TYR 66 N 1.13 3.12 -0.09 3.97 2.02 0.13 -1.64 117.35 125.99 3kjj s TYR 66 Ca 0.01 -0.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.58 3kjj s TYR 66 Cb -0.14 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.38 3kjj s TYR 66 CO -0.04 0.04 -0.11 -0.51 -1.57 0.00 0.00 175.55 173.37 3kjj s LEU 67 N 0.37 2.89 0.21 -1.29 1.43 -0.53 -1.58 118.68 120.19 3kjj s LEU 67 Ca -0.01 -0.18 -0.09 0.00 -1.03 0.00 0.00 54.13 52.82 3kjj s LEU 67 Cb -0.13 -1.63 0.23 0.00 0.03 0.00 0.00 46.19 44.69 3kjj s LEU 67 CO 0.02 0.28 1.83 -0.09 0.23 0.00 0.00 176.35 178.62 3kjj h ARG 68 N 5.85 0.79 0.00 1.70 2.43 -1.36 0.89 114.38 124.68 3kjj h ARG 68 Ca -0.39 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3kjj h ARG 68 Cb 1.18 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3kjj h ARG 68 CO 0.54 0.52 0.00 -3.47 -1.51 0.00 0.00 179.97 176.05 3kjj n ASP 69 N -4.70 0.95 0.00 -3.80 4.64 -1.26 -4.56 116.55 107.83 3kjj n ASP 69 Ca 0.09 -0.34 0.00 0.00 -1.38 0.00 0.00 54.79 53.15 3kjj n ASP 69 Cb 0.13 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.21 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 2.38 0.00 0.81 0.27 0.00 -1.26 -4.28 105.19 103.11 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 2.34 0.15 1.61 8.00 -1.26 -4.57 116.55 122.82 3kjj n ASP 72 Ca 0.00 -2.05 -0.14 0.00 0.71 0.00 0.00 54.79 53.32 3kjj n ASP 72 Cb 0.00 -0.31 -0.07 0.00 -0.02 0.00 0.00 41.12 40.73 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 2.39 -0.43 -0.77 1.24 3.20 -2.01 -3.15 116.97 117.44 3kjj h TYR 73 Ca 0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3kjj h TYR 73 Cb 0.62 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.02 3kjj h TYR 73 CO 0.31 -0.26 0.33 0.00 -1.64 0.00 0.00 178.16 176.90 3kjj h ALA 74 N 0.36 1.00 0.00 1.82 0.00 -1.98 0.69 119.26 121.14 3kjj h ALA 74 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3kjj h ALA 74 Cb 0.35 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3kjj h ALA 74 CO -0.01 0.60 0.00 -1.91 0.00 0.00 0.00 179.25 177.93 3kjj n GLU 75 N -4.33 0.27 0.00 0.00 2.13 -1.19 -1.83 120.64 115.69 3kjj n GLU 75 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 3kjj n GLU 75 Cb 0.17 -1.20 0.00 0.00 0.27 0.00 0.00 31.44 30.68 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 0.50 0.00 -0.18 4.31 3.02 0.23 -3.22 115.26 119.92 3kjj n ASN 77 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.54 3kjj n ASN 77 Cb 0.09 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.35 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 0.74 0.94 7.41 0.00 -1.62 0.21 103.07 110.75 3kjj h GLY 78 Ca 0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 47.33 47.09 3kjj h GLY 78 CO 0.00 -0.04 -0.55 -2.08 0.00 0.00 0.00 176.54 173.87 3kjj h VAL 79 N 0.34 1.35 -0.62 4.60 2.07 -1.85 -3.18 116.25 118.95 3kjj h VAL 79 Ca 0.28 -1.84 0.04 0.00 0.82 0.00 0.00 66.70 66.00 3kjj h VAL 79 Cb 0.35 2.13 -0.05 0.00 -1.52 0.00 0.00 31.29 32.21 3kjj h VAL 79 CO -0.31 0.56 0.35 -0.25 0.02 0.00 0.00 177.57 177.95 3kjj h TRP 80 N 0.21 0.66 -0.25 1.57 2.91 -1.78 -2.59 115.95 116.68 3kjj h TRP 80 Ca -0.03 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 59.97 3kjj h TRP 80 Cb 1.19 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 29.62 3kjj h TRP 80 CO 0.11 0.34 -0.02 -0.44 -1.03 0.00 0.00 178.44 177.39 3kjj h ASP 81 N 0.68 0.35 1.37 2.65 3.45 -0.66 -1.84 116.42 122.42 3kjj h ASP 81 Ca 0.26 -0.06 -0.03 0.00 0.43 0.00 0.00 57.03 57.64 3kjj h ASP 81 Cb 0.11 -0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 38.78 3kjj h ASP 81 CO -0.14 0.43 -0.15 0.00 -1.57 0.00 0.00 179.24 177.81 3kjj h ALA 82 N 1.62 0.95 0.11 3.45 0.00 -1.47 -3.36 119.26 120.56 3kjj h ALA 82 Ca 0.08 -0.13 -0.37 0.00 0.00 0.00 0.00 54.91 54.49 3kjj h ALA 82 Cb 0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3kjj h ALA 82 CO 0.01 0.18 -2.03 1.87 0.00 0.00 0.00 179.25 179.29 3kjj n TRP 83 N -3.20 1.16 -1.73 0.00 -0.00 -0.74 -4.95 117.44 107.98 3kjj n TRP 83 Ca 0.02 0.25 -0.38 0.00 -0.00 0.00 0.00 57.50 57.39 3kjj n TRP 83 Cb 0.48 -1.15 0.05 0.00 -0.00 0.00 0.00 31.31 30.69 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 -3.48 4.25 -2.78 5.87 0.24 -0.89 -4.98 118.33 116.56 3kjj n VAL 84 Ca -0.33 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.06 3kjj n VAL 84 Cb 1.04 -1.56 -0.05 0.00 -1.47 0.00 0.00 33.84 31.81 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 -1.34 3.27 0.22 2.33 0.00 -1.26 -4.99 121.76 119.99 3kjj s ALA 85 Ca 0.76 0.52 -0.32 0.00 0.00 0.00 0.00 51.96 52.92 3kjj s ALA 85 Cb -0.40 -3.22 -0.13 0.00 0.00 0.00 0.00 23.12 19.37 3kjj s ALA 85 CO 0.46 0.00 1.62 0.00 0.00 0.00 0.00 175.76 177.84 3kjj n ALA 86 N 2.73 2.21 -0.91 0.00 0.00 -1.26 -1.86 120.51 121.42 3kjj n ALA 86 Ca 0.01 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3kjj n ALA 86 Cb 0.49 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.50 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 3.19 0.35 2.67 0.00 0.00 -1.26 -4.84 105.19 105.30 3kjj n GLY 87 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.40 1.54 -3.13 1.61 1.74 -0.78 -5.11 116.66 111.14 3kjj n ARG 88 Ca 0.00 -3.44 -0.38 0.00 -0.77 0.00 0.00 57.85 53.26 3kjj n ARG 88 Cb 0.15 -1.44 -0.06 0.00 -1.02 0.00 0.00 32.46 30.09 3kjj n ARG 88 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3kjj s THR 89 N -3.53 4.58 0.69 0.55 -1.32 -1.24 -4.50 115.64 110.87 3kjj s THR 89 Ca 0.29 1.35 -0.08 0.00 -1.21 0.00 0.00 61.69 62.04 3kjj s THR 89 Cb 0.42 -3.94 0.05 0.00 -1.51 0.00 0.00 72.50 67.52 3kjj s THR 89 CO 0.00 0.39 1.02 -2.16 -2.21 0.00 0.00 174.62 171.67 3kjj s PRO 90 N -1.51 2.41 0.42 7.08 0.04 -1.26 -5.03 135.00 137.15 3kjj s PRO 90 Ca 0.37 -0.06 -0.26 0.00 0.04 0.00 0.00 61.00 61.09 3kjj s PRO 90 Cb -0.19 -2.14 -0.09 0.00 0.04 0.00 0.00 34.50 32.11 3kjj s PRO 90 CO 0.22 -1.14 1.45 0.00 0.04 0.00 0.00 177.00 177.56 3kjj s ALA 91 N -3.25 3.36 -0.02 8.56 0.00 -0.48 -4.90 121.76 125.03 3kjj s ALA 91 Ca 0.59 1.50 -0.03 0.00 0.00 0.00 0.00 51.96 54.02 3kjj s ALA 91 Cb -0.11 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3kjj s ALA 91 CO 0.46 -1.13 0.07 0.50 0.00 0.00 0.00 175.76 175.66 3kjj s ARG 92 N -2.31 0.13 0.03 0.00 3.52 -1.26 -0.98 118.95 118.08 3kjj s ARG 92 Ca 0.58 0.01 0.02 0.00 -0.13 0.00 0.00 55.73 56.21 3kjj s ARG 92 Cb -0.45 0.06 -0.02 0.00 -1.56 0.00 0.00 34.95 32.98 3kjj s ARG 92 CO 0.59 -0.02 -0.07 0.00 -0.81 0.00 0.00 175.30 174.99 3kjj s ALA 93 N -0.17 0.47 -0.04 6.12 0.00 -0.61 -4.98 121.76 122.54 3kjj s ALA 93 Ca -0.02 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 3kjj s ALA 93 Cb -0.02 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.18 3kjj s ALA 93 CO 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 175.76 175.78 3kjj s VAL 95 N 2.02 0.70 -0.08 0.00 -7.23 -0.65 -5.00 120.40 110.15 3kjj s VAL 95 Ca 0.03 -1.98 -0.17 0.00 -1.81 0.00 0.00 61.98 58.05 3kjj s VAL 95 Cb -0.12 -2.10 -0.05 0.00 0.56 0.00 0.00 36.38 34.67 3kjj s VAL 95 CO -0.03 -0.49 0.44 -0.70 -0.31 0.00 0.00 175.10 174.01 3kjj s GLU 96 N -3.91 4.21 -0.23 4.82 2.12 -1.26 -1.45 118.70 123.01 3kjj s GLU 96 Ca 0.23 0.41 -0.21 0.00 0.36 0.00 0.00 54.97 55.77 3kjj s GLU 96 Cb 0.06 -3.37 0.06 0.00 0.26 0.00 0.00 34.13 31.14 3kjj s GLU 96 CO 0.04 0.33 0.61 0.00 -0.54 0.00 0.00 175.26 175.70 3kjj s ALA 97 N 0.07 -1.50 0.22 6.30 0.00 0.31 -4.88 121.76 122.27 3kjj s ALA 97 Ca 0.24 1.73 -0.30 0.00 0.00 0.00 0.00 51.96 53.63 3kjj s ALA 97 Cb -0.15 -1.01 -0.09 0.00 0.00 0.00 0.00 23.12 21.87 3kjj s ALA 97 CO 0.11 -0.29 1.34 0.50 0.00 0.00 0.00 175.76 177.42 3kjj s ARG 98 N 0.39 4.36 0.37 0.00 6.06 -1.26 -3.39 118.95 125.47 3kjj s ARG 98 Ca -0.01 2.13 0.07 0.00 -2.50 0.00 0.00 55.73 55.43 3kjj s ARG 98 Cb -0.04 -3.16 -0.02 0.00 0.06 0.00 0.00 34.95 31.79 3kjj s ARG 98 CO -0.00 -0.29 0.38 -0.51 -2.50 0.00 0.00 175.30 172.37 3kjj s LEU 99 N -0.30 3.59 0.57 -0.88 1.43 -1.26 -5.01 118.68 116.82 3kjj s LEU 99 Ca 0.57 -0.52 0.28 0.00 -1.03 0.00 0.00 54.13 53.43 3kjj s LEU 99 Cb -0.38 -2.29 1.53 0.00 0.03 0.00 0.00 46.19 45.07 3kjj s LEU 99 CO 0.40 -0.50 2.01 0.00 0.23 0.00 0.00 176.35 178.49 3kjj h ALA 100 N 1.06 2.10 -4.37 4.21 0.00 -1.96 -3.39 119.26 116.91 3kjj h ALA 100 Ca -0.43 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 53.85 3kjj h ALA 100 Cb 1.26 0.03 -0.29 0.00 0.00 0.00 0.00 17.79 18.79 3kjj h ALA 100 CO 0.56 -0.52 -0.86 1.03 0.00 0.00 0.00 179.25 179.46 3kjj s ARG 101 N -4.73 1.68 0.45 0.00 0.52 -1.26 -5.05 118.95 110.56 3kjj s ARG 101 Ca -0.05 -0.82 0.16 0.00 -0.52 0.00 0.00 55.73 54.51 3kjj s ARG 101 Cb 0.16 -1.67 1.11 0.00 0.52 0.00 0.00 34.95 35.08 3kjj s ARG 101 CO 0.59 0.45 1.98 -1.00 0.02 0.00 0.00 175.30 177.34 3kjj h PRO 102 N 5.42 0.31 0.00 3.54 0.13 -2.03 -2.42 132.00 136.95 3kjj h PRO 102 Ca -0.41 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3kjj h PRO 102 Cb 1.14 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3kjj h PRO 102 CO 0.47 0.20 -0.07 0.39 -0.23 0.00 0.00 178.00 178.76 3kjj n GLU 103 N -4.46 0.06 -2.41 0.86 4.71 -1.26 -4.78 120.64 113.37 3kjj n GLU 103 Ca 0.10 0.05 -0.43 0.00 -0.01 0.00 0.00 57.16 56.87 3kjj n GLU 103 Cb 0.43 -1.57 -0.02 0.00 -1.01 0.00 0.00 31.44 29.27 3kjj n GLU 103 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 3kjj s TRP 104 N -3.03 2.76 -0.13 -0.32 0.51 -0.91 -4.89 118.94 112.94 3kjj s TRP 104 Ca 0.13 0.94 0.21 0.00 -2.12 0.00 0.00 56.10 55.26 3kjj s TRP 104 Cb 0.17 -3.65 -0.19 0.00 -0.81 0.00 0.00 33.47 29.00 3kjj s TRP 104 CO 0.57 -1.77 0.68 0.54 -0.51 0.00 0.00 176.95 176.46 3kjj n ARG 105 N 6.87 0.64 -3.75 4.98 5.12 -1.26 -4.52 116.66 124.74 3kjj n ARG 105 Ca 0.14 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.94 3kjj n ARG 105 Cb 0.45 -1.67 -0.11 0.00 -1.16 0.00 0.00 32.46 29.97 3kjj n ARG 105 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3kjj s VAL 106 N -3.25 -0.01 -0.02 1.55 0.11 -1.26 -1.77 120.40 115.74 3kjj s VAL 106 Ca -0.05 0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.03 3kjj s VAL 106 Cb 0.11 -0.48 0.01 0.00 -1.53 0.00 0.00 36.38 34.49 3kjj s VAL 106 CO 0.85 0.01 -0.02 -0.70 -3.33 0.00 0.00 175.10 171.90 3kjj s GLU 107 N 0.42 0.38 -0.07 1.54 2.12 -0.61 -4.09 118.70 118.40 3kjj s GLU 107 Ca -0.02 -0.04 0.05 0.00 0.36 0.00 0.00 54.97 55.31 3kjj s GLU 107 Cb -0.04 -0.45 -0.00 0.00 0.26 0.00 0.00 34.13 33.89 3kjj s GLU 107 CO -0.02 -0.03 -0.22 0.42 -0.54 0.00 0.00 175.26 174.87 3kjj s ILE 108 N 0.52 1.86 -0.17 -3.70 1.01 -1.26 -0.69 121.20 118.77 3kjj s ILE 108 Ca -0.05 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.67 3kjj s ILE 108 Cb -0.09 -1.60 0.01 0.00 0.01 0.00 0.00 42.46 40.79 3kjj s ILE 108 CO -0.01 0.52 -0.17 -0.75 0.00 0.00 0.00 174.94 174.53 3kjj s LYS 109 N 0.11 3.14 -0.09 2.79 2.47 0.79 -4.49 119.74 124.46 3kjj s LYS 109 Ca -0.10 -0.78 0.04 0.00 -1.56 0.00 0.00 55.97 53.57 3kjj s LYS 109 Cb -0.15 -2.61 -0.01 0.00 -1.46 0.00 0.00 37.83 33.60 3kjj s LYS 109 CO 0.05 -0.07 -0.21 0.42 0.16 0.00 0.00 175.35 175.70 3kjj s ILE 110 N 1.01 2.41 -0.11 5.43 -1.09 -1.26 -0.76 121.20 126.83 3kjj s ILE 110 Ca -0.02 -0.92 0.01 0.00 -2.23 0.00 0.00 60.65 57.49 3kjj s ILE 110 Cb -0.15 -1.93 -0.02 0.00 -1.58 0.00 0.00 42.46 38.78 3kjj s ILE 110 CO -0.04 0.56 -0.13 -0.89 -1.23 0.00 0.00 174.94 173.21 3kjj s THR 111 N 0.04 3.13 0.28 2.92 2.01 -0.88 -1.30 115.64 121.84 3kjj s THR 111 Ca -0.08 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.30 3kjj s THR 111 Cb -0.15 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 3kjj s THR 111 CO 0.05 0.54 0.23 0.00 -0.69 0.00 0.00 174.62 174.76 3kjj s ALA 112 N 0.00 1.56 0.04 7.40 0.00 0.41 -0.55 121.76 130.62 3kjj s ALA 112 Ca -0.04 -1.91 0.08 0.00 0.00 0.00 0.00 51.96 50.09 3kjj s ALA 112 Cb -0.14 1.44 -0.03 0.00 0.00 0.00 0.00 23.12 24.38 3kjj s ALA 112 CO 0.04 -0.64 -0.22 0.54 0.00 0.00 0.00 175.76 175.48 3kjj s VAL 113 N -3.71 2.52 0.21 0.00 0.11 -0.05 -0.87 120.40 118.61 3kjj s VAL 113 Ca 0.40 -1.27 -0.30 0.00 -2.93 0.00 0.00 61.98 57.88 3kjj s VAL 113 Cb 0.04 -2.03 -0.08 0.00 -1.53 0.00 0.00 36.38 32.78 3kjj s VAL 113 CO 0.21 0.35 0.94 -0.75 -3.33 0.00 0.00 175.10 172.53 3kjj s LYS 114 N -1.35 4.82 0.40 1.54 2.20 0.16 -4.69 119.74 122.83 3kjj s LYS 114 Ca 0.13 1.48 -0.25 0.00 -0.36 0.00 0.00 55.97 56.97 3kjj s LYS 114 Cb -0.10 -3.30 -0.08 0.00 -1.51 0.00 0.00 37.83 32.83 3kjj s LYS 114 CO 0.04 0.46 1.12 1.03 -0.36 0.00 0.00 175.35 177.64 3kjj s ARG 115 N -0.96 4.07 0.64 4.03 0.52 -0.83 -4.97 118.95 121.45 3kjj s ARG 115 Ca 0.42 1.71 0.06 0.00 -0.52 0.00 0.00 55.73 57.40 3kjj s ARG 115 Cb -0.25 -2.61 0.11 0.00 0.52 0.00 0.00 34.95 32.72 3kjj s ARG 115 CO 0.31 -0.27 0.88 -0.51 0.02 0.00 0.00 175.30 175.73 3kjj s ASP 116 N -1.31 4.78 0.00 0.23 1.11 -1.26 -4.97 116.67 115.25 3kjj s ASP 116 Ca 0.58 -0.72 0.00 0.00 0.18 0.00 0.00 52.55 52.59 3kjj s ASP 116 Cb -0.27 0.27 0.00 0.00 1.07 0.00 0.00 42.92 43.99 3kjj s ASP 116 CO 0.34 -1.57 0.00 0.00 1.18 0.00 0.00 175.17 175.12