#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 -4.77 4.39 9.92 -1.26 -4.85 116.55 119.98 3kjj n ASP 2 Ca 0.00 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 53.89 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 -1.56 5.28 -0.08 0.53 1.01 -1.26 -4.15 121.20 120.97 3kjj s ILE 3 Ca 0.00 0.56 -0.00 0.00 0.00 0.00 0.00 60.65 61.20 3kjj s ILE 3 Cb 0.00 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 3kjj s ILE 3 CO 0.00 0.47 -0.05 -0.13 0.00 0.00 0.00 174.94 175.23 3kjj s ARG 4 N -0.10 2.86 -0.04 2.79 0.52 0.91 -4.98 118.95 120.91 3kjj s ARG 4 Ca 0.18 -0.51 0.06 0.00 -0.52 0.00 0.00 55.73 54.94 3kjj s ARG 4 Cb -0.14 -2.66 -0.02 0.00 0.52 0.00 0.00 34.95 32.66 3kjj s ARG 4 CO 0.06 0.65 -0.24 0.71 0.02 0.00 0.00 175.30 176.50 3kjj s TYR 5 N -0.76 2.44 0.00 -0.53 2.02 -1.26 -0.16 117.35 119.10 3kjj s TYR 5 Ca 0.12 -0.55 0.05 0.00 -0.37 0.00 0.00 57.07 56.32 3kjj s TYR 5 Cb -0.11 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 39.86 3kjj s TYR 5 CO 0.02 -0.10 -0.17 -0.06 -1.57 0.00 0.00 175.55 173.67 3kjj s PHE 6 N -0.39 1.50 -1.39 2.71 0.08 0.16 -4.79 117.98 115.87 3kjj s PHE 6 Ca 0.03 -0.30 -0.07 0.00 0.12 0.00 0.00 56.93 56.72 3kjj s PHE 6 Cb -0.12 -0.95 0.03 0.00 -0.57 0.00 0.00 43.02 41.41 3kjj s PHE 6 CO 0.02 -0.00 0.90 0.41 -0.10 0.00 0.00 175.22 176.45 3kjj n GLY 7 N 2.48 -0.41 3.68 4.36 0.00 -1.26 -1.83 105.19 112.20 3kjj n GLY 7 Ca -0.15 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.45 3.90 0.52 2.61 2.01 -1.26 -2.73 115.64 117.24 3kjj s THR 8 Ca 0.34 1.21 0.04 0.00 0.31 0.00 0.00 61.69 63.58 3kjj s THR 8 Cb -0.16 -3.78 0.04 0.00 0.01 0.00 0.00 72.50 68.61 3kjj s THR 8 CO 0.80 -0.04 0.35 0.35 -0.69 0.00 0.00 174.62 175.39 3kjj n THR 9 N 4.95 0.00 0.41 -0.82 -2.24 0.10 -4.99 114.28 111.69 3kjj n THR 9 Ca 0.14 -2.11 0.11 0.00 -2.27 0.00 0.00 64.05 59.91 3kjj n THR 9 Cb 0.44 0.01 0.45 0.00 -2.10 0.00 0.00 70.33 69.13 3kjj n THR 9 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3kjj n PRO 10 N -1.68 0.15 0.00 -0.78 -0.02 -1.26 -3.95 135.00 127.47 3kjj n PRO 10 Ca -0.04 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3kjj n PRO 10 Cb 0.60 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 3kjj n PRO 10 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3kjj n ARG 11 N -2.07 2.00 -3.67 -0.52 1.85 -1.26 -5.10 116.66 107.89 3kjj n ARG 11 Ca 0.02 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.77 3kjj n ARG 11 Cb 0.21 -1.00 -0.04 0.00 -1.05 0.00 0.00 32.46 30.58 3kjj n ARG 11 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 3kjj s TYR 12 N -1.99 -0.18 -0.09 2.89 -0.85 -1.25 -5.15 117.35 110.72 3kjj s TYR 12 Ca 0.00 -0.14 0.01 0.00 -0.52 0.00 0.00 57.07 56.42 3kjj s TYR 12 Cb 0.00 0.34 -0.02 0.00 0.38 0.00 0.00 41.96 42.66 3kjj s TYR 12 CO 0.00 -0.82 -0.13 -1.12 -1.52 0.00 0.00 175.55 171.96 3kjj s SER 13 N -2.84 4.09 0.33 -0.18 0.01 -1.26 0.01 113.70 113.87 3kjj s SER 13 Ca 0.06 -0.24 0.03 0.00 1.31 0.00 0.00 55.95 57.10 3kjj s SER 13 Cb 0.00 -1.26 0.62 0.00 0.21 0.00 0.00 66.02 65.59 3kjj s SER 13 CO -0.07 0.26 1.95 -0.33 0.41 0.00 0.00 173.24 175.46 3kjj h GLU 14 N 6.02 0.88 -3.47 12.44 4.39 -1.16 -3.37 114.58 130.31 3kjj h GLU 14 Ca -0.36 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.11 3kjj h GLU 14 Cb 1.18 -0.20 -0.24 0.00 -0.10 0.00 0.00 28.75 29.40 3kjj h GLU 14 CO 0.53 0.58 -0.54 0.00 -1.16 0.00 0.00 179.01 178.43 3kjj s ALA 15 N -5.79 -0.31 -0.04 3.43 0.00 -0.94 -0.19 121.76 117.92 3kjj s ALA 15 Ca -0.11 0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.03 3kjj s ALA 15 Cb 0.19 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 3kjj s ALA 15 CO 0.78 -0.13 -0.18 0.08 0.00 0.00 0.00 175.76 176.32 3kjj s VAL 16 N -0.59 1.48 -0.04 0.00 1.01 -0.51 0.37 120.40 122.12 3kjj s VAL 16 Ca -0.07 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.21 3kjj s VAL 16 Cb -0.04 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 3kjj s VAL 16 CO 0.01 0.43 -0.20 -0.83 0.00 0.00 0.00 175.10 174.50 3kjj s GLY 17 N -0.03 1.06 -0.17 4.51 0.00 0.77 -0.49 107.32 112.97 3kjj s GLY 17 Ca -0.03 -0.84 -0.10 0.00 0.00 0.00 0.00 44.72 43.75 3kjj s GLY 17 CO 0.02 -0.50 0.42 0.00 0.00 0.00 0.00 173.10 173.03 3kjj s ALA 18 N -0.10 -1.07 -1.46 3.20 0.00 -0.26 -0.06 121.76 122.01 3kjj s ALA 18 Ca -0.02 1.49 -0.02 0.00 0.00 0.00 0.00 51.96 53.41 3kjj s ALA 18 Cb -0.12 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.11 3kjj s ALA 18 CO 0.02 -0.26 0.24 -1.71 0.00 0.00 0.00 175.76 174.06 3kjj n ASN 19 N 4.00 0.05 0.00 0.00 5.15 -1.26 -1.01 115.26 122.18 3kjj n ASN 19 Ca -0.21 -1.14 0.00 0.00 -0.60 0.00 0.00 54.58 52.63 3kjj n ASN 19 Cb 0.56 -2.35 0.00 0.00 -0.53 0.00 0.00 39.78 37.46 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 -2.26 2.99 3.86 8.20 0.00 -1.26 -5.00 105.19 111.71 3kjj n GLY 20 Ca -0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 4.01 -0.04 0.99 1.43 -0.18 0.26 118.68 125.15 3kjj s LEU 21 Ca 0.00 1.23 0.01 0.00 -1.03 0.00 0.00 54.13 54.34 3kjj s LEU 21 Cb 0.00 -4.05 0.02 0.00 0.03 0.00 0.00 46.19 42.19 3kjj s LEU 21 CO 0.00 -0.25 -0.04 -0.63 0.23 0.00 0.00 176.35 175.65 3kjj s ILE 22 N -2.08 0.51 -0.20 -0.59 1.01 0.76 -1.10 121.20 119.51 3kjj s ILE 22 Ca 0.53 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 61.07 3kjj s ILE 22 Cb -0.10 -0.53 0.04 0.00 0.01 0.00 0.00 42.46 41.88 3kjj s ILE 22 CO 0.21 0.21 -0.15 -0.36 0.00 0.00 0.00 174.94 174.85 3kjj s PHE 23 N 0.80 2.74 -0.01 3.97 0.08 0.35 -0.85 117.98 125.05 3kjj s PHE 23 Ca -0.10 -1.75 -0.15 0.00 0.12 0.00 0.00 56.93 55.05 3kjj s PHE 23 Cb -0.13 -1.82 -0.06 0.00 -0.57 0.00 0.00 43.02 40.44 3kjj s PHE 23 CO 0.00 -0.79 0.40 -0.51 -0.10 0.00 0.00 175.22 174.22 3kjj s LEU 24 N 1.29 4.46 1.06 -0.37 1.02 -0.59 -1.42 118.68 124.13 3kjj s LEU 24 Ca 0.00 0.94 -0.15 0.00 0.02 0.00 0.00 54.13 54.94 3kjj s LEU 24 Cb -0.15 -2.57 0.13 0.00 0.02 0.00 0.00 46.19 43.61 3kjj s LEU 24 CO -0.10 0.31 0.47 -1.20 0.02 0.00 0.00 176.35 175.85 3kjj n SER 25 N 1.95 -1.84 -3.58 2.29 7.64 0.73 -4.15 113.62 116.65 3kjj n SER 25 Ca -0.14 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.80 3kjj n SER 25 Cb 0.52 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 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 1.46 -3.18 0.00 0.23 0.00 -1.26 -4.57 105.19 97.86 3kjj n GLY 26 Ca 0.04 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3kjj n GLY 26 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3kjj n VAL 28 N -1.43 0.00 -1.96 1.61 3.14 -1.26 -4.92 118.33 113.51 3kjj n VAL 28 Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 3kjj n VAL 28 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 3kjj n VAL 28 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 3kjj s PRO 29 N -2.00 4.22 -0.02 1.45 0.02 -1.26 -4.76 135.00 132.65 3kjj s PRO 29 Ca 0.00 2.32 0.21 0.00 0.02 0.00 0.00 61.00 63.55 3kjj s PRO 29 Cb 0.00 -3.29 -0.30 0.00 0.02 0.00 0.00 34.50 30.93 3kjj s PRO 29 CO 0.00 -0.62 0.57 0.39 -0.33 0.00 0.00 177.00 177.00 3kjj n GLU 30 N 4.41 0.53 -3.79 5.54 1.02 -1.26 -5.00 120.64 122.09 3kjj n GLU 30 Ca 0.14 -0.15 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 3kjj n GLU 30 Cb 0.39 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.21 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 -4.07 -0.25 0.00 1.62 0.01 -1.26 -5.15 114.94 105.83 3kjj s ASN 31 Ca -0.04 0.46 0.00 0.00 -0.71 0.00 0.00 52.86 52.57 3kjj s ASN 31 Cb 0.14 0.51 0.00 0.00 0.41 0.00 0.00 41.25 42.31 3kjj s ASN 31 CO 0.87 -0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.94 3kjj n GLY 32 N 2.75 2.96 0.51 0.66 0.00 -1.26 -4.16 105.19 106.66 3kjj n GLY 32 Ca -0.14 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.07 0.33 -1.89 1.61 1.02 -1.26 -4.76 120.64 115.62 3kjj n GLU 33 Ca 0.00 0.14 -0.31 0.00 -0.02 0.00 0.00 57.16 56.97 3kjj n GLU 33 Cb 0.00 -1.05 0.02 0.00 -0.02 0.00 0.00 31.44 30.38 3kjj n GLU 33 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3kjj s THR 34 N -2.34 4.51 0.26 2.62 -4.23 -1.26 -4.85 115.64 110.35 3kjj s THR 34 Ca -0.21 0.80 -0.02 0.00 -1.18 0.00 0.00 61.69 61.08 3kjj s THR 34 Cb 0.07 -3.80 0.24 0.00 1.34 0.00 0.00 72.50 70.34 3kjj s THR 34 CO 0.27 -1.06 1.73 0.00 -0.54 0.00 0.00 174.62 175.02 3kjj h ALA 35 N -0.37 1.16 -0.40 3.99 0.00 -1.96 0.11 119.26 121.79 3kjj h ALA 35 Ca -0.44 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3kjj h ALA 35 Cb 1.20 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3kjj h ALA 35 CO 0.62 -0.22 0.15 0.00 0.00 0.00 0.00 179.25 179.80 3kjj h ALA 36 N 1.59 0.52 -0.41 0.00 0.00 -1.94 0.12 119.26 119.15 3kjj h ALA 36 Ca 0.45 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 3kjj h ALA 36 Cb 0.72 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3kjj h ALA 36 CO -0.43 0.14 0.06 0.93 0.00 0.00 0.00 179.25 179.96 3kjj h GLU 37 N 0.50 0.68 -0.30 0.00 5.08 -1.75 -2.70 114.58 116.09 3kjj h GLU 37 Ca 0.13 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 3kjj h GLU 37 Cb 0.22 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3kjj h GLU 37 CO -0.01 0.73 -0.42 1.96 -1.00 0.00 0.00 179.01 180.26 3kjj h GLN 38 N 0.53 0.75 -0.35 2.33 4.20 -0.66 -2.02 115.11 119.90 3kjj h GLN 38 Ca 0.12 -0.41 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 3kjj h GLN 38 Cb 0.38 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 3kjj h GLN 38 CO 0.01 1.03 0.18 1.15 -0.67 0.00 0.00 178.83 180.53 3kjj h THR 39 N 0.61 1.15 -0.77 -0.54 2.02 -0.78 -1.51 112.91 113.09 3kjj h THR 39 Ca 0.04 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.83 3kjj h THR 39 Cb 0.98 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 3kjj h THR 39 CO 0.09 0.15 0.51 0.00 0.37 0.00 0.00 175.52 176.65 3kjj h ALA 40 N 1.04 0.97 -0.39 6.16 0.00 -1.36 -0.10 119.26 125.58 3kjj h ALA 40 Ca 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kjj h ALA 40 Cb 0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3kjj h ALA 40 CO -0.02 0.39 0.19 0.22 0.00 0.00 0.00 179.25 180.03 3kjj h ASP 41 N 1.04 0.51 -0.29 0.00 3.58 -1.19 -1.81 116.42 118.25 3kjj h ASP 41 Ca 0.28 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 3kjj h ASP 41 Cb -0.12 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.79 3kjj h ASP 41 CO -0.06 0.49 0.17 0.58 -2.88 0.00 0.00 179.24 177.54 3kjj h VAL 42 N 0.49 1.11 -0.08 2.25 2.07 -0.79 -2.10 116.25 119.20 3kjj h VAL 42 Ca 0.13 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 3kjj h VAL 42 Cb 0.12 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3kjj h VAL 42 CO -0.02 0.11 -0.23 -0.07 0.02 0.00 0.00 177.57 177.38 3kjj h LEU 43 N 0.37 0.13 -0.67 2.57 3.38 -0.98 -1.29 115.31 118.81 3kjj h LEU 43 Ca 0.10 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 3kjj h LEU 43 Cb 0.02 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3kjj h LEU 43 CO -0.02 0.37 -0.12 0.00 0.09 0.00 0.00 178.44 178.77 3kjj h ALA 44 N 1.64 0.87 -0.56 1.53 0.00 -0.99 -0.92 119.26 120.83 3kjj h ALA 44 Ca 0.02 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 3kjj h ALA 44 Cb 0.49 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kjj h ALA 44 CO 0.03 0.64 0.04 1.96 0.00 0.00 0.00 179.25 181.92 3kjj h GLN 45 N 0.82 0.96 -0.97 0.00 4.20 -0.86 -1.74 115.11 117.52 3kjj h GLN 45 Ca 0.13 -0.29 0.06 0.00 0.06 0.00 0.00 58.65 58.62 3kjj h GLN 45 Cb 0.65 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.26 3kjj h GLN 45 CO 0.04 0.95 0.62 0.82 -0.67 0.00 0.00 178.83 180.59 3kjj h ILE 46 N 0.85 1.08 -0.06 2.54 2.04 -1.00 -1.19 117.51 121.76 3kjj h ILE 46 Ca 0.16 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 3kjj h ILE 46 Cb 0.49 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 3kjj h ILE 46 CO 0.02 0.21 0.03 0.44 0.00 0.00 0.00 178.15 178.85 3kjj h ASP 47 N 1.13 0.08 -0.59 1.72 3.32 -0.77 -1.53 116.42 119.78 3kjj h ASP 47 Ca 0.42 -0.09 0.12 0.00 0.02 0.00 0.00 57.03 57.50 3kjj h ASP 47 Cb 0.17 -0.02 -0.10 0.00 0.22 0.00 0.00 39.33 39.60 3kjj h ASP 47 CO -0.17 0.15 -0.04 0.03 -1.72 0.00 0.00 179.24 177.49 3kjj h ARG 48 N 0.00 0.08 0.14 3.56 3.08 -0.83 -2.45 114.38 117.97 3kjj h ARG 48 Ca 0.02 -0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.77 3kjj h ARG 48 Cb 0.09 -0.02 0.02 0.00 0.08 0.00 0.00 29.97 30.14 3kjj h ARG 48 CO -0.00 0.05 -1.27 -1.49 -1.07 0.00 0.00 179.97 176.20 3kjj h TRP 49 N 0.09 0.81 -0.27 3.04 4.06 -1.01 -2.72 115.95 119.95 3kjj h TRP 49 Ca 0.30 -0.54 0.00 0.00 2.06 0.00 0.00 58.89 60.71 3kjj h TRP 49 Cb 0.48 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.57 3kjj h TRP 49 CO -0.39 1.40 0.18 -0.07 -3.56 0.00 0.00 178.44 176.00 3kjj h LEU 50 N 0.18 0.31 -1.05 -4.49 3.38 -1.27 -2.24 115.31 110.13 3kjj h LEU 50 Ca -0.18 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 57.89 3kjj h LEU 50 Cb 1.95 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 42.55 3kjj h LEU 50 CO 0.23 0.23 0.63 0.00 0.09 0.00 0.00 178.44 179.61 3kjj h ALA 51 N 1.10 1.51 -0.29 1.53 0.00 -0.98 0.45 119.26 122.58 3kjj h ALA 51 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3kjj h ALA 51 Cb -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3kjj h ALA 51 CO -0.02 0.28 0.01 1.49 0.00 0.00 0.00 179.25 181.01 3kjj h GLU 52 N 1.03 0.44 -0.37 0.00 4.81 -1.14 -2.68 114.58 116.66 3kjj h GLU 52 Ca 0.46 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 3kjj h GLU 52 Cb 0.38 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3kjj h GLU 52 CO -0.22 0.46 0.00 0.00 -0.73 0.00 0.00 179.01 178.52 3kjj n GLY 54 N 1.15 0.24 2.63 0.00 0.00 -0.82 -4.75 105.19 103.65 3kjj n GLY 54 Ca 0.14 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 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 0.37 0.64 -3.31 1.61 2.88 0.14 -2.02 113.62 113.93 3kjj n SER 55 Ca -0.05 -2.73 -0.08 0.00 -1.33 0.00 0.00 58.87 54.69 3kjj n SER 55 Cb 0.54 0.98 0.01 0.00 -0.75 0.00 0.00 64.21 64.99 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 -2.95 -0.09 0.59 -3.46 1.47 -1.26 -2.25 116.67 108.72 3kjj s ASP 56 Ca 0.21 -0.90 0.36 0.00 1.18 0.00 0.00 52.55 53.40 3kjj s ASP 56 Cb 0.01 0.77 1.85 0.00 -0.34 0.00 0.00 42.92 45.21 3kjj s ASP 56 CO 0.15 -1.49 2.19 0.07 0.68 0.00 0.00 175.17 176.76 3kjj h LYS 57 N 2.00 0.00 -0.08 2.11 2.10 -1.94 -1.08 116.57 119.68 3kjj h LYS 57 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 3kjj h LYS 57 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3kjj h LYS 57 CO 0.34 0.04 0.00 0.00 -2.00 0.00 0.00 179.45 177.82 3kjj n ALA 58 N -2.17 2.55 -1.88 0.07 0.00 -1.26 -3.48 120.51 114.34 3kjj n ALA 58 Ca -0.02 -0.26 0.04 0.00 0.00 0.00 0.00 53.44 53.20 3kjj n ALA 58 Cb 0.17 -1.16 0.06 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.30 0.00 -3.02 0.00 8.25 -0.41 -4.95 115.22 114.79 3kjj n HIS 59 Ca 0.12 -0.54 -0.40 0.00 -0.26 0.00 0.00 57.72 56.64 3kjj n HIS 59 Cb 0.15 -0.12 -0.05 0.00 1.12 0.00 0.00 29.99 31.09 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 -1.04 4.83 -0.16 1.59 1.01 -1.23 -1.31 120.40 124.10 3kjj s VAL 60 Ca 0.21 1.55 -0.08 0.00 0.00 0.00 0.00 61.98 63.66 3kjj s VAL 60 Cb 0.21 -4.08 -0.23 0.00 0.00 0.00 0.00 36.38 32.27 3kjj s VAL 60 CO -0.05 0.34 0.23 0.18 0.00 0.00 0.00 175.10 175.80 3kjj n LEU 61 N 3.06 2.57 -3.79 3.92 4.77 0.44 -4.40 117.00 123.56 3kjj n LEU 61 Ca -0.02 0.19 -0.13 0.00 -0.03 0.00 0.00 56.01 56.02 3kjj n LEU 61 Cb 0.51 -1.06 -0.11 0.00 -2.33 0.00 0.00 43.42 40.43 3kjj n LEU 61 CO 0.47 0.79 -0.07 -0.62 -1.33 0.00 0.00 177.39 176.63 3kjj s ASP 62 N -6.96 -0.24 -0.05 -1.43 2.15 -0.92 -0.93 116.67 108.30 3kjj s ASP 62 Ca -0.26 0.41 0.00 0.00 0.43 0.00 0.00 52.55 53.14 3kjj s ASP 62 Cb 0.07 0.49 0.02 0.00 -0.30 0.00 0.00 42.92 43.20 3kjj s ASP 62 CO 0.71 -0.17 -0.03 0.00 -0.17 0.00 0.00 175.17 175.52 3kjj s ALA 63 N -0.19 0.67 -0.22 3.66 0.00 -0.05 -1.09 121.76 124.53 3kjj s ALA 63 Ca -0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 3kjj s ALA 63 Cb -0.03 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 3kjj s ALA 63 CO 0.01 -0.17 -0.03 0.08 0.00 0.00 0.00 175.76 175.65 3kjj s VAL 64 N 1.28 3.49 -0.22 0.00 1.01 -0.06 -2.00 120.40 123.90 3kjj s VAL 64 Ca -0.05 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 3kjj s VAL 64 Cb -0.14 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 3kjj s VAL 64 CO -0.02 0.42 -0.04 -0.63 0.00 0.00 0.00 175.10 174.83 3kjj s ILE 65 N 1.43 3.40 -0.22 2.22 1.01 -0.38 -0.45 121.20 128.20 3kjj s ILE 65 Ca 0.05 -0.49 -0.09 0.00 0.00 0.00 0.00 60.65 60.12 3kjj s ILE 65 Cb -0.14 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 3kjj s ILE 65 CO -0.02 0.43 0.11 -0.31 0.00 0.00 0.00 174.94 175.15 3kjj s TYR 66 N 1.41 3.27 -0.08 3.97 2.02 0.45 -1.87 117.35 126.52 3kjj s TYR 66 Ca 0.05 0.10 0.01 0.00 -0.37 0.00 0.00 57.07 56.86 3kjj s TYR 66 Cb -0.14 -2.19 -0.03 0.00 -0.40 0.00 0.00 41.96 39.20 3kjj s TYR 66 CO -0.03 0.06 -0.08 -0.51 -1.57 0.00 0.00 175.55 173.43 3kjj s LEU 67 N 0.83 3.09 0.08 -1.29 1.43 -0.06 -1.61 118.68 121.14 3kjj s LEU 67 Ca 0.06 -0.07 -0.20 0.00 -1.03 0.00 0.00 54.13 52.88 3kjj s LEU 67 Cb -0.13 -1.67 -0.10 0.00 0.03 0.00 0.00 46.19 44.32 3kjj s LEU 67 CO 0.02 0.33 1.57 -0.09 0.23 0.00 0.00 176.35 178.42 3kjj h ARG 68 N 5.48 0.31 0.00 1.70 2.43 -1.46 0.35 114.38 123.19 3kjj h ARG 68 Ca -0.45 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 3kjj h ARG 68 Cb 1.17 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3kjj h ARG 68 CO 0.53 0.44 0.00 -3.47 -1.51 0.00 0.00 179.97 175.96 3kjj n ASP 69 N -4.78 1.79 0.00 -3.80 4.64 -1.26 -4.42 116.55 108.72 3kjj n ASP 69 Ca -0.04 -0.34 0.00 0.00 -1.38 0.00 0.00 54.79 53.03 3kjj n ASP 69 Cb 0.17 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.25 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 4.48 0.00 0.65 0.27 0.00 -1.26 -4.44 105.19 104.89 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 1.89 0.25 1.61 8.00 -1.26 -4.55 116.55 122.48 3kjj n ASP 72 Ca 0.00 -1.96 -0.15 0.00 0.71 0.00 0.00 54.79 53.39 3kjj n ASP 72 Cb 0.00 -0.22 -0.08 0.00 -0.02 0.00 0.00 41.12 40.80 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 2.12 -0.58 -0.74 1.24 3.20 -2.01 -3.17 116.97 117.03 3kjj h TYR 73 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3kjj h TYR 73 Cb 0.48 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.91 3kjj h TYR 73 CO 0.22 -0.28 0.47 0.00 -1.64 0.00 0.00 178.16 176.93 3kjj h ALA 74 N -0.35 1.44 0.00 1.82 0.00 -1.99 -0.51 119.26 119.66 3kjj h ALA 74 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kjj h ALA 74 Cb 0.56 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kjj h ALA 74 CO 0.10 0.51 0.00 -1.91 0.00 0.00 0.00 179.25 177.95 3kjj n GLU 75 N -4.41 0.39 0.00 0.00 2.13 -1.20 -2.25 120.64 115.30 3kjj n GLU 75 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 3kjj n GLU 75 Cb 0.05 -1.23 0.00 0.00 0.27 0.00 0.00 31.44 30.53 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 0.46 0.00 -0.23 4.31 3.02 -0.20 -3.38 115.26 119.25 3kjj n ASN 77 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.58 3kjj n ASN 77 Cb 0.13 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.45 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 0.95 1.53 7.41 0.00 -1.72 0.52 103.07 111.75 3kjj h GLY 78 Ca 0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 47.33 47.03 3kjj h GLY 78 CO 0.00 -0.11 -0.89 -2.08 0.00 0.00 0.00 176.54 173.46 3kjj h VAL 79 N 0.34 1.39 -0.21 4.60 2.07 -1.86 -3.03 116.25 119.55 3kjj h VAL 79 Ca 0.36 -2.35 -0.06 0.00 0.82 0.00 0.00 66.70 65.47 3kjj h VAL 79 Cb 0.55 2.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.64 3kjj h VAL 79 CO -0.41 0.71 -0.12 -0.25 0.02 0.00 0.00 177.57 177.51 3kjj h TRP 80 N 0.26 0.52 -0.67 1.57 2.91 -1.68 -2.76 115.95 116.10 3kjj h TRP 80 Ca -0.07 -0.14 0.10 0.00 1.13 0.00 0.00 58.89 59.91 3kjj h TRP 80 Cb 1.51 -0.12 -0.04 0.00 -0.51 0.00 0.00 29.16 30.00 3kjj h TRP 80 CO 0.06 0.75 0.44 -0.44 -1.03 0.00 0.00 178.44 178.23 3kjj h ASP 81 N 0.14 0.47 1.43 2.65 3.32 -0.06 -0.88 116.42 123.49 3kjj h ASP 81 Ca 0.04 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 3kjj h ASP 81 Cb 0.63 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 3kjj h ASP 81 CO 0.03 0.28 -0.22 0.00 -1.72 0.00 0.00 179.24 177.61 3kjj h ALA 82 N 1.66 0.90 0.08 3.45 0.00 -1.40 -3.33 119.26 120.62 3kjj h ALA 82 Ca 0.31 -0.20 -0.35 0.00 0.00 0.00 0.00 54.91 54.67 3kjj h ALA 82 Cb 0.51 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3kjj h ALA 82 CO -0.10 0.28 -1.93 1.87 0.00 0.00 0.00 179.25 179.37 3kjj n TRP 83 N -3.22 0.99 -1.62 0.00 -0.00 -0.61 -4.98 117.44 108.01 3kjj n TRP 83 Ca 0.02 0.26 -0.41 0.00 -0.00 0.00 0.00 57.50 57.37 3kjj n TRP 83 Cb 0.54 -1.12 0.02 0.00 -0.00 0.00 0.00 31.31 30.75 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 2.62 -2.58 5.87 0.24 -0.43 -4.91 118.33 115.44 3kjj n VAL 84 Ca -0.35 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.02 3kjj n VAL 84 Cb 0.96 -1.18 -0.02 0.00 -1.47 0.00 0.00 33.84 32.12 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 -1.31 3.47 0.24 2.33 0.00 -1.26 -4.98 121.76 120.25 3kjj s ALA 85 Ca 0.65 -0.01 -0.31 0.00 0.00 0.00 0.00 51.96 52.29 3kjj s ALA 85 Cb -0.53 -3.70 -0.13 0.00 0.00 0.00 0.00 23.12 18.76 3kjj s ALA 85 CO 0.55 -1.55 1.47 0.00 0.00 0.00 0.00 175.76 176.23 3kjj n ALA 86 N 7.04 1.47 -0.10 0.00 0.00 -1.26 -1.12 120.51 126.54 3kjj n ALA 86 Ca 0.13 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3kjj n ALA 86 Cb 0.47 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 2.30 2.74 2.49 0.00 0.00 -1.26 -4.83 105.19 106.63 3kjj n GLY 87 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 2.52 -3.13 1.61 5.12 -0.28 -5.09 116.66 115.42 3kjj n ARG 88 Ca 0.00 -3.80 -0.39 0.00 -1.93 0.00 0.00 57.85 51.73 3kjj n ARG 88 Cb 0.00 -1.88 -0.06 0.00 -1.16 0.00 0.00 32.46 29.36 3kjj n ARG 88 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3kjj s THR 89 N -4.16 4.63 0.75 0.55 -4.23 -1.21 -4.58 115.64 107.39 3kjj s THR 89 Ca 0.37 1.44 -0.07 0.00 -1.18 0.00 0.00 61.69 62.25 3kjj s THR 89 Cb 0.37 -4.01 0.09 0.00 1.34 0.00 0.00 72.50 70.29 3kjj s THR 89 CO -0.01 0.50 1.06 -2.16 -0.54 0.00 0.00 174.62 173.47 3kjj s PRO 90 N -0.87 1.86 0.52 3.99 0.04 -1.26 -5.04 135.00 134.25 3kjj s PRO 90 Ca 0.33 -0.43 -0.23 0.00 0.04 0.00 0.00 61.00 60.71 3kjj s PRO 90 Cb -0.21 -2.15 -0.06 0.00 0.04 0.00 0.00 34.50 32.13 3kjj s PRO 90 CO 0.22 -1.46 1.38 0.00 0.04 0.00 0.00 177.00 177.17 3kjj n ALA 91 N -3.04 1.69 -3.16 8.56 0.00 -0.10 -4.87 120.51 119.59 3kjj n ALA 91 Ca 0.10 0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.58 3kjj n ALA 91 Cb 0.60 -2.36 -0.10 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 -2.77 0.49 -0.01 0.00 3.52 -1.26 -0.87 118.95 118.05 3kjj s ARG 92 Ca 0.69 -0.12 -0.06 0.00 -0.13 0.00 0.00 55.73 56.11 3kjj s ARG 92 Cb -0.43 0.22 0.00 0.00 -1.56 0.00 0.00 34.95 33.18 3kjj s ARG 92 CO 0.51 -0.11 0.12 0.00 -0.81 0.00 0.00 175.30 175.00 3kjj s ALA 93 N -0.94 -0.27 -0.04 6.12 0.00 -0.85 -4.99 121.76 120.79 3kjj s ALA 93 Ca -0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 3kjj s ALA 93 Cb -0.05 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.13 3kjj s ALA 93 CO 0.02 -0.17 0.05 0.00 0.00 0.00 0.00 175.76 175.67 3kjj s VAL 95 N 1.77 0.63 -0.22 0.00 -7.23 -0.78 -5.01 120.40 109.55 3kjj s VAL 95 Ca -0.00 -1.98 -0.10 0.00 -1.81 0.00 0.00 61.98 58.09 3kjj s VAL 95 Cb -0.12 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.59 3kjj s VAL 95 CO -0.03 -0.41 0.14 -0.70 -0.31 0.00 0.00 175.10 173.78 3kjj s GLU 96 N -3.94 4.11 -0.20 4.82 2.12 -1.26 -0.88 118.70 123.47 3kjj s GLU 96 Ca 0.26 -0.26 -0.27 0.00 0.36 0.00 0.00 54.97 55.06 3kjj s GLU 96 Cb 0.06 -3.46 0.07 0.00 0.26 0.00 0.00 34.13 31.07 3kjj s GLU 96 CO 0.05 0.18 0.73 0.00 -0.54 0.00 0.00 175.26 175.68 3kjj s ALA 97 N 0.69 -1.79 0.32 6.30 0.00 0.12 -4.88 121.76 122.52 3kjj s ALA 97 Ca 0.07 1.79 -0.23 0.00 0.00 0.00 0.00 51.96 53.60 3kjj s ALA 97 Cb -0.12 -0.82 -0.10 0.00 0.00 0.00 0.00 23.12 22.08 3kjj s ALA 97 CO 0.01 -0.34 0.88 -0.98 0.00 0.00 0.00 175.76 175.33 3kjj s ARG 98 N -0.15 4.41 0.35 0.00 1.70 -1.26 -3.38 118.95 120.63 3kjj s ARG 98 Ca -0.03 1.15 0.04 0.00 -0.47 0.00 0.00 55.73 56.41 3kjj s ARG 98 Cb -0.03 -2.70 0.04 0.00 -0.57 0.00 0.00 34.95 31.69 3kjj s ARG 98 CO 0.03 0.25 0.32 1.28 -1.08 0.00 0.00 175.30 176.11 3kjj n LEU 99 N 0.35 0.00 0.27 -1.89 4.77 -1.26 -5.01 117.00 114.24 3kjj n LEU 99 Ca 0.02 -1.77 0.13 0.00 -0.03 0.00 0.00 56.01 54.36 3kjj n LEU 99 Cb 0.51 -0.09 0.76 0.00 -2.33 0.00 0.00 43.42 42.27 3kjj n LEU 99 CO 0.43 -0.51 1.01 0.00 -1.33 0.00 0.00 177.39 176.99 3kjj h ALA 100 N 0.59 1.41 -3.85 -1.18 0.00 -1.97 -3.40 119.26 110.86 3kjj h ALA 100 Ca -0.21 -0.08 -0.50 0.00 0.00 0.00 0.00 54.91 54.12 3kjj h ALA 100 Cb 0.81 -0.01 -0.31 0.00 0.00 0.00 0.00 17.79 18.27 3kjj h ALA 100 CO 0.32 0.11 -0.82 1.03 0.00 0.00 0.00 179.25 179.90 3kjj s ARG 101 N -4.38 1.43 0.60 0.00 1.81 -1.26 -5.03 118.95 112.12 3kjj s ARG 101 Ca -0.04 -0.47 0.33 0.00 -1.72 0.00 0.00 55.73 53.84 3kjj s ARG 101 Cb 0.14 -1.27 1.94 0.00 -0.45 0.00 0.00 34.95 35.31 3kjj s ARG 101 CO 0.59 0.18 2.27 -1.00 -0.68 0.00 0.00 175.30 176.65 3kjj h PRO 102 N 6.33 0.00 -0.05 3.54 0.13 -2.02 -1.49 132.00 138.44 3kjj h PRO 102 Ca -0.33 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.72 3kjj h PRO 102 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3kjj h PRO 102 CO 0.48 0.01 -0.34 0.93 -0.23 0.00 0.00 178.00 178.86 3kjj h GLU 103 N 0.00 0.10 -6.32 0.86 3.07 -1.96 -3.43 114.58 106.90 3kjj h GLU 103 Ca -0.00 -0.04 -0.55 0.00 -0.50 0.00 0.00 59.36 58.27 3kjj h GLU 103 Cb 0.04 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 3kjj h GLU 103 CO 0.00 0.43 0.86 -1.58 -1.40 0.00 0.00 179.01 177.33 3kjj s TRP 104 N -4.28 2.77 -0.51 4.33 0.51 -0.56 -4.91 118.94 116.29 3kjj s TRP 104 Ca -0.04 0.80 0.19 0.00 -2.12 0.00 0.00 56.10 54.93 3kjj s TRP 104 Cb 0.14 -3.65 -0.24 0.00 -0.81 0.00 0.00 33.47 28.91 3kjj s TRP 104 CO 0.74 -2.42 0.62 0.54 -0.51 0.00 0.00 176.95 175.92 3kjj n ARG 105 N 5.77 0.79 -3.71 4.98 1.74 -1.26 -4.67 116.66 120.30 3kjj n ARG 105 Ca 0.14 -0.07 -0.14 0.00 -0.77 0.00 0.00 57.85 57.01 3kjj n ARG 105 Cb 0.44 -1.40 -0.09 0.00 -1.02 0.00 0.00 32.46 30.39 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 -2.98 0.01 -0.01 1.55 0.11 -1.26 -2.25 120.40 115.57 3kjj s VAL 106 Ca 0.01 -0.06 -0.00 0.00 -2.93 0.00 0.00 61.98 58.99 3kjj s VAL 106 Cb 0.13 -0.66 0.01 0.00 -1.53 0.00 0.00 36.38 34.34 3kjj s VAL 106 CO 0.77 -0.04 0.02 -0.70 -3.33 0.00 0.00 175.10 171.83 3kjj s GLU 107 N -0.05 -0.00 -0.10 1.54 2.12 -0.63 -4.17 118.70 117.40 3kjj s GLU 107 Ca -0.02 0.10 0.03 0.00 0.36 0.00 0.00 54.97 55.43 3kjj s GLU 107 Cb -0.03 -0.10 0.01 0.00 0.26 0.00 0.00 34.13 34.26 3kjj s GLU 107 CO 0.02 -0.08 -0.18 0.42 -0.54 0.00 0.00 175.26 174.90 3kjj s ILE 108 N 0.48 1.68 -0.22 -3.70 1.01 -1.26 -0.41 121.20 118.79 3kjj s ILE 108 Ca -0.04 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.78 3kjj s ILE 108 Cb -0.06 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 3kjj s ILE 108 CO -0.01 0.48 -0.01 -0.75 0.00 0.00 0.00 174.94 174.65 3kjj s LYS 109 N 0.67 3.52 -0.11 2.79 2.47 0.40 -4.50 119.74 124.97 3kjj s LYS 109 Ca -0.13 -0.56 0.00 0.00 -1.56 0.00 0.00 55.97 53.72 3kjj s LYS 109 Cb -0.16 -3.09 -0.02 0.00 -1.46 0.00 0.00 37.83 33.09 3kjj s LYS 109 CO 0.03 -0.12 -0.11 0.42 0.16 0.00 0.00 175.35 175.74 3kjj s ILE 110 N 1.33 3.31 -0.10 5.43 -1.09 -1.26 -0.88 121.20 127.94 3kjj s ILE 110 Ca 0.04 -0.59 -0.01 0.00 -2.23 0.00 0.00 60.65 57.86 3kjj s ILE 110 Cb -0.15 -2.38 -0.03 0.00 -1.58 0.00 0.00 42.46 38.33 3kjj s ILE 110 CO 0.00 0.54 -0.06 -0.89 -1.23 0.00 0.00 174.94 173.31 3kjj s THR 111 N -0.03 3.77 0.27 2.92 2.01 -0.25 -1.55 115.64 122.78 3kjj s THR 111 Ca -0.02 -0.44 -0.02 0.00 0.31 0.00 0.00 61.69 61.53 3kjj s THR 111 Cb -0.14 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 3kjj s THR 111 CO 0.04 0.56 0.31 0.00 -0.69 0.00 0.00 174.62 174.84 3kjj s ALA 112 N -0.40 0.95 0.07 7.40 0.00 -0.03 -0.42 121.76 129.32 3kjj s ALA 112 Ca 0.06 -1.58 0.09 0.00 0.00 0.00 0.00 51.96 50.53 3kjj s ALA 112 Cb -0.12 1.29 -0.03 0.00 0.00 0.00 0.00 23.12 24.26 3kjj s ALA 112 CO 0.02 -0.70 -0.23 0.14 0.00 0.00 0.00 175.76 174.99 3kjj s VAL 113 N -3.73 2.43 0.19 0.00 -7.23 -0.42 -0.17 120.40 111.46 3kjj s VAL 113 Ca 0.34 -1.43 -0.30 0.00 -1.81 0.00 0.00 61.98 58.78 3kjj s VAL 113 Cb 0.03 -2.02 -0.08 0.00 0.56 0.00 0.00 36.38 34.87 3kjj s VAL 113 CO 0.17 0.27 1.00 -0.75 -0.31 0.00 0.00 175.10 175.47 3kjj s LYS 114 N -1.58 4.72 0.00 4.82 2.20 0.14 -4.60 119.74 125.44 3kjj s LYS 114 Ca 0.14 1.57 0.16 0.00 -0.36 0.00 0.00 55.97 57.48 3kjj s LYS 114 Cb -0.10 -3.30 0.95 0.00 -1.51 0.00 0.00 37.83 33.87 3kjj s LYS 114 CO 0.05 0.29 1.36 0.54 -0.36 0.00 0.00 175.35 177.22