#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjj s ILE 3 N 0.00 -0.38 -0.01 5.18 2.07 -1.26 -3.72 121.20 123.07 3kjj s ILE 3 Ca 0.00 -0.03 0.05 0.00 -1.41 0.00 0.00 60.65 59.25 3kjj s ILE 3 Cb 0.00 -0.65 -0.01 0.00 0.13 0.00 0.00 42.46 41.93 3kjj s ILE 3 CO 0.00 -0.13 -0.15 -0.60 -1.91 0.00 0.00 174.94 172.14 3kjj s ARG 4 N 2.37 1.26 0.05 3.50 3.00 0.24 -5.00 118.95 124.39 3kjj s ARG 4 Ca 0.07 -0.54 0.06 0.00 -1.00 0.00 0.00 55.73 54.32 3kjj s ARG 4 Cb -0.15 -1.21 -0.04 0.00 0.00 0.00 0.00 34.95 33.55 3kjj s ARG 4 CO -0.12 0.32 -0.13 0.71 0.00 0.00 0.00 175.30 176.08 3kjj s TYR 5 N -0.32 2.70 0.01 5.12 2.02 -1.26 -1.04 117.35 124.57 3kjj s TYR 5 Ca 0.05 -0.17 0.01 0.00 -0.37 0.00 0.00 57.07 56.59 3kjj s TYR 5 Cb -0.06 -1.49 -0.01 0.00 -0.40 0.00 0.00 41.96 40.00 3kjj s TYR 5 CO -0.00 0.34 -0.04 -0.06 -1.57 0.00 0.00 175.55 174.22 3kjj s PHE 6 N -1.04 0.34 -1.25 2.71 0.08 0.17 -4.91 117.98 114.09 3kjj s PHE 6 Ca 0.17 -0.25 -0.14 0.00 0.12 0.00 0.00 56.93 56.83 3kjj s PHE 6 Cb -0.11 -0.22 -0.00 0.00 -0.57 0.00 0.00 43.02 42.12 3kjj s PHE 6 CO 0.08 -0.06 0.64 0.41 -0.10 0.00 0.00 175.22 176.20 3kjj n GLY 7 N 2.35 -0.68 3.68 4.36 0.00 -1.26 -0.98 105.19 112.66 3kjj n GLY 7 Ca -0.17 0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.66 4.64 0.36 2.61 2.01 -1.26 -2.25 115.64 118.10 3kjj s THR 8 Ca 0.29 1.94 0.08 0.00 0.31 0.00 0.00 61.69 64.31 3kjj s THR 8 Cb -0.11 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 3kjj s THR 8 CO 0.88 -0.07 0.29 0.42 -0.69 0.00 0.00 174.62 175.44 3kjj s THR 9 N 2.58 3.17 -1.44 -0.82 -4.23 -0.35 -5.01 115.64 109.54 3kjj s THR 9 Ca 0.48 -1.42 0.05 0.00 -1.18 0.00 0.00 61.69 59.62 3kjj s THR 9 Cb -0.18 -3.09 0.09 0.00 1.34 0.00 0.00 72.50 70.65 3kjj s THR 9 CO 0.14 -0.12 0.99 -0.81 -0.54 0.00 0.00 174.62 174.28 3kjj n PRO 10 N -1.38 0.07 -0.06 3.99 -0.04 -1.26 -3.52 135.00 132.80 3kjj n PRO 10 Ca -0.00 0.23 -0.11 0.00 -0.04 0.00 0.00 63.50 63.58 3kjj n PRO 10 Cb 0.61 -1.50 -0.05 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 -1.28 0.27 -3.92 0.54 0.63 -1.26 -5.09 116.66 106.55 3kjj n ARG 11 Ca 0.02 0.09 -0.10 0.00 -0.92 0.00 0.00 57.85 56.95 3kjj n ARG 11 Cb 0.04 -1.05 -0.09 0.00 0.45 0.00 0.00 32.46 31.80 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 -2.22 0.17 -0.28 -0.14 -0.85 -1.23 -5.13 117.35 107.67 3kjj s TYR 12 Ca -0.16 -0.44 -0.14 0.00 -0.52 0.00 0.00 57.07 55.81 3kjj s TYR 12 Cb 0.05 -0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.23 3kjj s TYR 12 CO 0.23 -0.35 0.32 0.45 -1.52 0.00 0.00 175.55 174.69 3kjj s SER 13 N -1.99 6.19 0.57 -0.18 0.15 -1.26 -1.21 113.70 115.96 3kjj s SER 13 Ca -0.07 0.17 0.26 0.00 0.70 0.00 0.00 55.95 57.01 3kjj s SER 13 Cb -0.02 -2.19 1.54 0.00 -1.71 0.00 0.00 66.02 63.64 3kjj s SER 13 CO -0.04 -0.16 2.07 -0.08 1.20 0.00 0.00 173.24 176.23 3kjj h GLU 14 N 8.25 0.00 -2.07 5.44 4.57 -0.60 -3.41 114.58 126.76 3kjj h GLU 14 Ca -0.32 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.81 3kjj h GLU 14 Cb 1.17 0.00 -0.21 0.00 -0.16 0.00 0.00 28.75 29.55 3kjj h GLU 14 CO 0.62 0.00 0.10 0.00 -1.18 0.00 0.00 179.01 178.56 3kjj s ALA 15 N -4.78 -1.71 -0.04 2.92 0.00 -1.00 -2.32 121.76 114.83 3kjj s ALA 15 Ca -0.05 1.85 -0.01 0.00 0.00 0.00 0.00 51.96 53.75 3kjj s ALA 15 Cb 0.17 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.34 3kjj s ALA 15 CO 0.61 -0.33 0.04 0.54 0.00 0.00 0.00 175.76 176.61 3kjj s VAL 16 N 0.15 0.03 -0.11 0.00 0.11 -0.14 -0.66 120.40 119.78 3kjj s VAL 16 Ca -0.02 0.28 0.01 0.00 -2.93 0.00 0.00 61.98 59.33 3kjj s VAL 16 Cb -0.04 -0.22 -0.01 0.00 -1.53 0.00 0.00 36.38 34.57 3kjj s VAL 16 CO 0.02 0.17 -0.15 -0.83 -3.33 0.00 0.00 175.10 170.98 3kjj s GLY 17 N 1.75 1.51 -0.20 6.54 0.00 -0.21 -0.47 107.32 116.25 3kjj s GLY 17 Ca 0.00 -0.92 -0.08 0.00 0.00 0.00 0.00 44.72 43.72 3kjj s GLY 17 CO -0.03 -0.31 0.44 0.00 0.00 0.00 0.00 173.10 173.20 3kjj s ALA 18 N 0.17 -1.19 -1.50 3.20 0.00 0.61 -0.59 121.76 122.46 3kjj s ALA 18 Ca -0.08 1.58 -0.08 0.00 0.00 0.00 0.00 51.96 53.38 3kjj s ALA 18 Cb -0.15 -1.23 0.06 0.00 0.00 0.00 0.00 23.12 21.80 3kjj s ALA 18 CO 0.05 -0.60 0.68 -1.71 0.00 0.00 0.00 175.76 174.18 3kjj n ASN 19 N 5.01 -2.19 0.00 0.00 5.15 -1.24 -0.93 115.26 121.06 3kjj n ASN 19 Ca -0.14 -0.94 0.00 0.00 -0.60 0.00 0.00 54.58 52.91 3kjj n ASN 19 Cb 0.52 -3.28 0.00 0.00 -0.53 0.00 0.00 39.78 36.49 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 -1.71 2.35 3.73 8.20 0.00 -1.26 -4.97 105.19 111.52 3kjj n GLY 20 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 4.39 -0.11 0.99 2.96 -0.10 -0.42 118.68 126.39 3kjj s LEU 21 Ca 0.00 1.36 0.03 0.00 -0.22 0.00 0.00 54.13 55.30 3kjj s LEU 21 Cb 0.00 -3.20 0.01 0.00 0.50 0.00 0.00 46.19 43.50 3kjj s LEU 21 CO 0.00 -0.06 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.15 3kjj s ILE 22 N 0.36 1.78 -0.22 6.68 1.01 0.24 -0.28 121.20 130.77 3kjj s ILE 22 Ca 0.39 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 60.17 3kjj s ILE 22 Cb -0.19 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 3kjj s ILE 22 CO 0.21 0.50 -0.04 -0.36 0.00 0.00 0.00 174.94 175.25 3kjj s PHE 23 N 0.72 2.96 -0.09 3.97 0.08 0.38 -0.08 117.98 125.91 3kjj s PHE 23 Ca -0.11 -0.91 -0.12 0.00 0.12 0.00 0.00 56.93 55.90 3kjj s PHE 23 Cb -0.16 -2.10 -0.05 0.00 -0.57 0.00 0.00 43.02 40.14 3kjj s PHE 23 CO 0.02 -0.53 0.30 -0.51 -0.10 0.00 0.00 175.22 174.40 3kjj s LEU 24 N 1.44 4.36 0.91 -0.37 1.43 -0.61 -0.97 118.68 124.88 3kjj s LEU 24 Ca 0.05 0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 53.71 3kjj s LEU 24 Cb -0.14 -2.38 0.13 0.00 0.03 0.00 0.00 46.19 43.83 3kjj s LEU 24 CO -0.03 0.25 1.04 -1.20 0.23 0.00 0.00 176.35 176.64 3kjj n SER 25 N 2.56 0.02 -3.03 2.29 7.64 -0.98 -3.93 113.62 118.19 3kjj n SER 25 Ca -0.15 0.42 -0.02 0.00 1.01 0.00 0.00 58.87 60.14 3kjj n SER 25 Cb 0.53 -1.44 0.02 0.00 -1.01 0.00 0.00 64.21 62.31 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 0.49 -3.03 0.00 0.23 0.00 -1.26 -4.68 105.19 96.94 3kjj n GLY 26 Ca 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.03 0.00 -1.98 1.61 0.24 -1.26 -4.92 118.33 108.98 3kjj n VAL 28 Ca 0.01 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.90 3kjj n VAL 28 Cb 0.04 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.40 3kjj n VAL 28 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3kjj s PRO 29 N -2.00 4.25 0.00 7.34 0.04 -1.26 -4.78 135.00 138.59 3kjj s PRO 29 Ca 0.00 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.39 3kjj s PRO 29 Cb 0.00 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.48 3kjj s PRO 29 CO 0.00 -0.39 0.62 -0.85 0.04 0.00 0.00 177.00 176.42 3kjj n GLU 30 N 1.46 0.12 -3.84 4.56 0.28 -1.26 -5.03 120.64 116.94 3kjj n GLU 30 Ca 0.04 -0.76 -0.12 0.00 -0.16 0.00 0.00 57.16 56.16 3kjj n GLU 30 Cb 0.40 -0.98 -0.10 0.00 1.43 0.00 0.00 31.44 32.20 3kjj n GLU 30 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 3kjj s ASN 31 N -0.27 -0.05 0.00 -1.84 0.01 -1.26 -5.15 114.94 106.38 3kjj s ASN 31 Ca 0.00 -0.09 0.00 0.00 -0.71 0.00 0.00 52.86 52.06 3kjj s ASN 31 Cb 0.00 0.25 0.00 0.00 0.41 0.00 0.00 41.25 41.91 3kjj s ASN 31 CO 0.00 -0.37 0.00 0.61 -1.51 0.00 0.00 177.10 175.83 3kjj n GLY 32 N 1.50 0.66 0.40 0.66 0.00 -1.26 -4.18 105.19 102.97 3kjj n GLY 32 Ca -0.22 -1.68 -0.07 0.00 0.00 0.00 0.00 46.02 44.05 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 0.81 0.18 -2.42 1.61 4.07 -1.26 -4.75 120.64 118.88 3kjj n GLU 33 Ca 0.00 0.06 -0.26 0.00 -0.06 0.00 0.00 57.16 56.90 3kjj n GLU 33 Cb 0.00 -0.96 0.04 0.00 -0.06 0.00 0.00 31.44 30.45 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 -2.15 3.37 0.19 6.31 -4.23 -1.26 -4.92 115.64 112.95 3kjj s THR 34 Ca -0.11 -0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 60.16 3kjj s THR 34 Cb 0.03 -3.35 0.09 0.00 1.34 0.00 0.00 72.50 70.62 3kjj s THR 34 CO 0.16 -0.34 1.79 0.00 -0.54 0.00 0.00 174.62 175.69 3kjj h ALA 35 N -0.20 0.71 -0.17 3.99 0.00 -1.96 -1.65 119.26 119.99 3kjj h ALA 35 Ca -0.45 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.52 3kjj h ALA 35 Cb 1.27 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 3kjj h ALA 35 CO 0.60 -0.04 -0.08 0.00 0.00 0.00 0.00 179.25 179.72 3kjj h ALA 36 N 1.29 0.07 -0.45 0.00 0.00 -1.95 0.40 119.26 118.61 3kjj h ALA 36 Ca 0.24 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.22 3kjj h ALA 36 Cb 0.13 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3kjj h ALA 36 CO -0.15 -0.52 0.30 0.93 0.00 0.00 0.00 179.25 179.81 3kjj h GLU 37 N -0.06 0.59 -0.31 0.00 5.08 -1.87 -1.91 114.58 116.10 3kjj h GLU 37 Ca 0.09 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.25 3kjj h GLU 37 Cb 0.20 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3kjj h GLU 37 CO -0.21 0.39 -0.48 1.96 -1.00 0.00 0.00 179.01 179.67 3kjj h GLN 38 N 0.61 0.87 -0.26 2.33 4.20 -1.13 -1.90 115.11 119.82 3kjj h GLN 38 Ca 0.17 -0.52 0.01 0.00 0.06 0.00 0.00 58.65 58.36 3kjj h GLN 38 Cb -0.07 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 3kjj h GLN 38 CO -0.04 1.16 0.16 1.79 -0.67 0.00 0.00 178.83 181.24 3kjj h THR 39 N 0.66 1.05 -0.45 -0.54 1.35 -0.80 0.35 112.91 114.53 3kjj h THR 39 Ca 0.03 -0.11 0.08 0.00 -0.55 0.00 0.00 66.41 65.85 3kjj h THR 39 Cb 1.08 0.68 -0.07 0.00 -1.73 0.00 0.00 68.15 68.12 3kjj h THR 39 CO 0.11 0.06 0.06 0.00 -0.25 0.00 0.00 175.52 175.50 3kjj h ALA 40 N 1.11 0.47 -0.28 6.62 0.00 -1.33 0.32 119.26 126.17 3kjj h ALA 40 Ca 0.10 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3kjj h ALA 40 Cb -0.02 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3kjj h ALA 40 CO -0.04 -0.34 0.17 0.22 0.00 0.00 0.00 179.25 179.26 3kjj h ASP 41 N 0.18 0.28 -0.54 0.00 3.58 -0.69 -0.76 116.42 118.47 3kjj h ASP 41 Ca 0.22 -0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.58 3kjj h ASP 41 Cb 0.31 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 3kjj h ASP 41 CO -0.32 0.21 -0.02 0.58 -2.88 0.00 0.00 179.24 176.80 3kjj h VAL 42 N 0.35 1.27 -0.01 2.25 2.07 0.14 -1.41 116.25 120.90 3kjj h VAL 42 Ca 0.11 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 3kjj h VAL 42 Cb -0.01 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3kjj h VAL 42 CO -0.05 0.40 -0.17 -0.07 0.02 0.00 0.00 177.57 177.71 3kjj h LEU 43 N 0.84 0.01 -0.18 2.57 3.38 -0.25 -2.04 115.31 119.64 3kjj h LEU 43 Ca 0.15 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.89 3kjj h LEU 43 Cb 0.56 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3kjj h LEU 43 CO 0.03 0.19 -0.91 0.00 0.09 0.00 0.00 178.44 177.84 3kjj h ALA 44 N 1.82 0.36 -0.45 1.53 0.00 -0.63 -1.84 119.26 120.04 3kjj h ALA 44 Ca 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 54.91 54.19 3kjj h ALA 44 Cb 0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kjj h ALA 44 CO 0.02 0.77 0.11 1.96 0.00 0.00 0.00 179.25 182.11 3kjj h GLN 45 N 0.29 0.73 -0.86 0.00 4.20 -1.07 -1.83 115.11 116.58 3kjj h GLN 45 Ca -0.08 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.42 3kjj h GLN 45 Cb 1.53 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 29.18 3kjj h GLN 45 CO 0.16 0.73 0.42 0.82 -0.67 0.00 0.00 178.83 180.29 3kjj h ILE 46 N 0.61 1.26 0.56 2.54 2.04 -1.38 0.12 117.51 123.25 3kjj h ILE 46 Ca 0.14 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 3kjj h ILE 46 Cb 0.33 0.16 0.01 0.00 -0.74 0.00 0.00 36.82 36.57 3kjj h ILE 46 CO 0.00 0.32 -0.27 0.44 0.00 0.00 0.00 178.15 178.64 3kjj h ASP 47 N 1.22 -0.64 0.04 1.72 3.32 -1.17 0.31 116.42 121.22 3kjj h ASP 47 Ca 0.30 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 3kjj h ASP 47 Cb 0.11 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3kjj h ASP 47 CO -0.04 -0.39 -0.11 0.08 -1.72 0.00 0.00 179.24 177.07 3kjj h ARG 48 N -0.85 0.16 0.08 3.56 0.11 -1.18 0.27 114.38 116.53 3kjj h ARG 48 Ca -0.08 -0.03 -0.25 0.00 0.10 0.00 0.00 59.98 59.72 3kjj h ARG 48 Cb 0.61 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.66 3kjj h ARG 48 CO 0.13 0.28 -1.17 -1.49 0.10 0.00 0.00 179.97 177.81 3kjj h TRP 49 N 0.15 0.32 -0.58 4.08 4.06 -0.72 -2.40 115.95 120.87 3kjj h TRP 49 Ca 0.03 -0.24 -0.06 0.00 2.06 0.00 0.00 58.89 60.68 3kjj h TRP 49 Cb 0.29 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.41 3kjj h TRP 49 CO 0.00 1.19 0.11 -0.07 -3.56 0.00 0.00 178.44 176.11 3kjj h LEU 50 N 0.05 0.87 0.46 -4.49 3.38 0.22 -2.83 115.31 112.97 3kjj h LEU 50 Ca -0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3kjj h LEU 50 Cb 1.91 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 3kjj h LEU 50 CO 0.18 0.87 -0.36 0.00 0.09 0.00 0.00 178.44 179.22 3kjj h ALA 51 N 1.24 -0.83 0.00 1.53 0.00 -0.46 0.11 119.26 120.85 3kjj h ALA 51 Ca 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kjj h ALA 51 Cb 0.36 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3kjj h ALA 51 CO 0.00 -0.99 0.00 0.39 0.00 0.00 0.00 179.25 178.65 3kjj n GLU 52 N -5.48 0.14 0.00 0.00 4.71 -0.90 -0.98 120.64 118.13 3kjj n GLU 52 Ca -0.11 0.06 0.04 0.00 -0.01 0.00 0.00 57.16 57.14 3kjj n GLU 52 Cb 0.37 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.28 3kjj n GLU 52 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kjj n GLY 54 N 1.03 0.69 3.52 0.00 0.00 -0.15 -4.94 105.19 105.34 3kjj n GLY 54 Ca 0.03 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 0.20 -1.62 -3.55 1.61 2.88 0.33 -2.12 113.62 111.35 3kjj n SER 55 Ca 0.00 -2.85 -0.08 0.00 -1.33 0.00 0.00 58.87 54.61 3kjj n SER 55 Cb 0.47 2.90 -0.01 0.00 -0.75 0.00 0.00 64.21 66.82 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 -3.18 -0.06 0.00 -3.46 3.84 -1.26 -3.21 116.67 109.34 3kjj s ASP 56 Ca 0.26 -0.89 0.17 0.00 -0.00 0.00 0.00 52.55 52.09 3kjj s ASP 56 Cb -0.02 0.74 1.01 0.00 -1.38 0.00 0.00 42.92 43.26 3kjj s ASP 56 CO 0.19 -1.41 1.43 2.29 -0.00 0.00 0.00 175.17 177.66 3kjj n LYS 57 N -0.48 0.51 0.01 2.11 2.85 -1.26 -1.30 118.16 120.60 3kjj n LYS 57 Ca -0.05 0.01 0.11 0.00 -1.05 0.00 0.00 58.31 57.33 3kjj n LYS 57 Cb 0.60 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.49 3kjj n LYS 57 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kjj n ALA 58 N -1.02 3.98 -1.17 0.58 0.00 -1.26 -4.18 120.51 117.44 3kjj n ALA 58 Ca 0.12 -0.48 0.04 0.00 0.00 0.00 0.00 53.44 53.13 3kjj n ALA 58 Cb 0.06 -0.92 0.22 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.67 0.86 -2.78 0.00 8.25 -0.42 -4.95 115.22 114.51 3kjj n HIS 59 Ca 0.03 -1.15 -0.42 0.00 -0.26 0.00 0.00 57.72 55.92 3kjj n HIS 59 Cb 0.37 -0.35 -0.03 0.00 1.12 0.00 0.00 29.99 31.10 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 -2.98 4.68 -0.08 1.59 1.01 -1.22 -0.19 120.40 123.20 3kjj s VAL 60 Ca 0.42 1.56 -0.18 0.00 0.00 0.00 0.00 61.98 63.77 3kjj s VAL 60 Cb 0.36 -4.27 -0.14 0.00 0.00 0.00 0.00 36.38 32.32 3kjj s VAL 60 CO 0.05 -0.30 0.64 -0.07 0.00 0.00 0.00 175.10 175.42 3kjj h LEU 61 N 9.66 -0.10 -7.73 3.92 3.38 -0.35 -3.38 115.31 120.70 3kjj h LEU 61 Ca -0.22 -0.42 -0.12 0.00 0.09 0.00 0.00 57.88 57.21 3kjj h LEU 61 Cb 1.08 0.03 -0.18 0.00 0.09 0.00 0.00 40.66 41.67 3kjj h LEU 61 CO 0.95 0.54 -0.41 1.51 0.09 0.00 0.00 178.44 181.12 3kjj s ASP 62 N -5.66 0.02 -0.04 -0.43 -4.77 -0.64 -0.77 116.67 104.38 3kjj s ASP 62 Ca -0.11 -0.30 0.01 0.00 -3.30 0.00 0.00 52.55 48.85 3kjj s ASP 62 Cb -0.01 0.27 0.02 0.00 -1.09 0.00 0.00 42.92 42.11 3kjj s ASP 62 CO 0.41 -0.50 -0.05 0.00 0.70 0.00 0.00 175.17 175.74 3kjj s ALA 63 N -2.18 0.68 -0.22 2.11 0.00 0.30 -0.42 121.76 122.04 3kjj s ALA 63 Ca -0.08 -0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.76 3kjj s ALA 63 Cb -0.03 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 3kjj s ALA 63 CO -0.02 -0.00 0.04 0.08 0.00 0.00 0.00 175.76 175.86 3kjj s VAL 64 N 0.88 4.20 -0.21 0.00 1.01 -0.34 -2.09 120.40 123.85 3kjj s VAL 64 Ca -0.12 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 3kjj s VAL 64 Cb -0.14 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 3kjj s VAL 64 CO 0.00 0.39 0.01 -0.63 0.00 0.00 0.00 175.10 174.87 3kjj s ILE 65 N 1.21 3.92 -0.19 2.22 1.01 0.56 -1.69 121.20 128.24 3kjj s ILE 65 Ca 0.04 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.30 3kjj s ILE 65 Cb -0.14 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 3kjj s ILE 65 CO 0.02 0.41 0.06 -0.31 0.00 0.00 0.00 174.94 175.13 3kjj s TYR 66 N 1.18 3.24 -0.06 3.97 2.02 0.09 -1.58 117.35 126.20 3kjj s TYR 66 Ca 0.03 0.04 0.04 0.00 -0.37 0.00 0.00 57.07 56.81 3kjj s TYR 66 Cb -0.14 -2.09 -0.02 0.00 -0.40 0.00 0.00 41.96 39.30 3kjj s TYR 66 CO 0.01 0.12 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.42 3kjj s LEU 67 N 0.47 2.48 0.18 -1.29 1.43 -0.52 -1.53 118.68 119.90 3kjj s LEU 67 Ca 0.03 -0.33 -0.13 0.00 -1.03 0.00 0.00 54.13 52.67 3kjj s LEU 67 Cb -0.13 -1.49 0.08 0.00 0.03 0.00 0.00 46.19 44.68 3kjj s LEU 67 CO 0.01 0.29 1.82 -0.09 0.23 0.00 0.00 176.35 178.61 3kjj h ARG 68 N 5.77 0.77 0.00 1.70 2.43 -1.43 0.43 114.38 124.04 3kjj h ARG 68 Ca -0.39 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3kjj h ARG 68 Cb 1.16 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3kjj h ARG 68 CO 0.50 0.54 0.00 -3.47 -1.51 0.00 0.00 179.97 176.03 3kjj n ASP 69 N -4.66 0.71 0.00 -3.80 4.64 -1.26 -4.42 116.55 107.76 3kjj n ASP 69 Ca 0.04 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.45 3kjj n ASP 69 Cb 0.04 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.12 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 1.78 0.00 1.59 0.27 0.00 -1.26 -4.40 105.19 103.16 3kjj n GLY 71 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 4.94 0.06 1.61 8.00 -1.26 -4.64 116.55 125.26 3kjj n ASP 72 Ca 0.00 -2.64 -0.12 0.00 0.71 0.00 0.00 54.79 52.74 3kjj n ASP 72 Cb 0.00 -0.60 -0.06 0.00 -0.02 0.00 0.00 41.12 40.44 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 3.78 -0.13 0.76 1.24 3.20 -2.01 -3.31 116.97 120.50 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 1.60 0.05 0.01 0.00 1.54 0.00 0.00 36.73 39.93 3kjj h TYR 73 CO 0.83 -0.08 -0.37 0.00 -1.64 0.00 0.00 178.16 176.90 3kjj h ALA 74 N 0.85 -1.02 0.00 1.82 0.00 -1.99 0.19 119.26 119.11 3kjj h ALA 74 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3kjj h ALA 74 Cb 0.11 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3kjj h ALA 74 CO -0.03 -0.97 0.00 -1.91 0.00 0.00 0.00 179.25 176.34 3kjj n GLU 75 N -5.47 0.00 0.00 0.00 2.13 -1.25 -1.22 120.64 114.84 3kjj n GLU 75 Ca -0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.69 3kjj n GLU 75 Cb 0.41 -0.67 0.00 0.00 0.27 0.00 0.00 31.44 31.45 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 0.18 0.00 -0.18 4.31 3.02 0.05 -3.50 115.26 119.13 3kjj n ASN 77 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3kjj n ASN 77 Cb 0.00 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.26 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 0.66 0.76 7.41 0.00 -1.43 0.78 103.07 111.25 3kjj h GLY 78 Ca 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 3kjj h GLY 78 CO 0.00 -0.13 -0.15 -2.08 0.00 0.00 0.00 176.54 174.18 3kjj h VAL 79 N 0.19 1.34 -0.47 4.60 2.07 -1.85 -2.86 116.25 119.28 3kjj h VAL 79 Ca 0.29 -1.31 0.05 0.00 0.82 0.00 0.00 66.70 66.56 3kjj h VAL 79 Cb 0.44 1.85 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 3kjj h VAL 79 CO -0.42 0.39 0.19 -0.25 0.02 0.00 0.00 177.57 177.50 3kjj h TRP 80 N 0.02 0.34 -0.78 1.57 2.91 -1.68 -2.46 115.95 115.87 3kjj h TRP 80 Ca 0.03 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.06 3kjj h TRP 80 Cb 0.68 -0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 29.21 3kjj h TRP 80 CO 0.08 0.14 0.45 -0.44 -1.03 0.00 0.00 178.44 177.64 3kjj h ASP 81 N 0.38 0.95 0.51 2.65 5.19 0.54 -1.84 116.42 124.81 3kjj h ASP 81 Ca 0.21 -0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.52 3kjj h ASP 81 Cb 0.19 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.45 3kjj h ASP 81 CO -0.20 0.76 -0.14 0.00 -3.12 0.00 0.00 179.24 176.54 3kjj h ALA 82 N 1.24 1.20 0.10 3.45 0.00 -1.26 -3.30 119.26 120.69 3kjj h ALA 82 Ca 0.28 -0.12 -0.34 0.00 0.00 0.00 0.00 54.91 54.72 3kjj h ALA 82 Cb -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3kjj h ALA 82 CO -0.05 0.17 -1.87 1.87 0.00 0.00 0.00 179.25 179.37 3kjj n TRP 83 N -3.54 1.19 -1.37 0.00 -0.00 -0.83 -4.97 117.44 107.93 3kjj n TRP 83 Ca -0.01 0.29 -0.35 0.00 -0.00 0.00 0.00 57.50 57.43 3kjj n TRP 83 Cb 0.28 -1.15 0.10 0.00 -0.00 0.00 0.00 31.31 30.54 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 -3.67 3.23 -2.84 5.87 0.24 -0.75 -4.96 118.33 115.44 3kjj n VAL 84 Ca -0.32 -0.34 -0.42 0.00 -2.04 0.00 0.00 64.34 61.22 3kjj n VAL 84 Cb 0.98 -1.29 -0.04 0.00 -1.47 0.00 0.00 33.84 32.01 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 -1.81 3.58 0.25 2.33 0.00 -1.26 -5.01 121.76 119.85 3kjj s ALA 85 Ca 0.77 -0.19 -0.31 0.00 0.00 0.00 0.00 51.96 52.23 3kjj s ALA 85 Cb -0.33 -3.39 -0.13 0.00 0.00 0.00 0.00 23.12 19.27 3kjj s ALA 85 CO 0.47 -1.14 1.43 0.00 0.00 0.00 0.00 175.76 176.52 3kjj n ALA 86 N 6.26 1.33 0.00 0.00 0.00 -1.26 -1.31 120.51 125.54 3kjj n ALA 86 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3kjj n ALA 86 Cb 0.47 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.62 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 2.13 2.47 2.59 0.00 0.00 -1.26 -4.77 105.19 106.36 3kjj n GLY 87 Ca 0.11 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 3.25 -2.72 1.61 1.74 -0.43 -5.06 116.66 115.05 3kjj n ARG 88 Ca 0.00 -4.24 -0.35 0.00 -0.77 0.00 0.00 57.85 52.49 3kjj n ARG 88 Cb 0.00 -2.26 -0.06 0.00 -1.02 0.00 0.00 32.46 29.13 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 -5.41 4.14 0.71 0.55 -4.23 -1.07 -4.41 115.64 105.92 3kjj s THR 89 Ca 0.49 1.48 -0.07 0.00 -1.18 0.00 0.00 61.69 62.41 3kjj s THR 89 Cb 0.41 -3.68 0.06 0.00 1.34 0.00 0.00 72.50 70.63 3kjj s THR 89 CO -0.25 -0.15 1.03 -2.16 -0.54 0.00 0.00 174.62 172.55 3kjj s PRO 90 N -2.83 2.23 0.37 3.99 0.04 -1.26 -5.02 135.00 132.53 3kjj s PRO 90 Ca 0.60 -0.18 -0.27 0.00 0.04 0.00 0.00 61.00 61.18 3kjj s PRO 90 Cb -0.14 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 32.15 3kjj s PRO 90 CO 0.19 -1.24 1.22 0.00 0.04 0.00 0.00 177.00 177.22 3kjj s ALA 91 N -3.27 3.29 -0.01 8.56 0.00 0.05 -4.89 121.76 125.49 3kjj s ALA 91 Ca 0.60 1.09 -0.07 0.00 0.00 0.00 0.00 51.96 53.58 3kjj s ALA 91 Cb -0.11 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3kjj s ALA 91 CO 0.45 -0.57 0.14 0.50 0.00 0.00 0.00 175.76 176.28 3kjj s ARG 92 N -2.05 0.40 0.01 0.00 3.52 -1.26 -0.53 118.95 119.03 3kjj s ARG 92 Ca 0.53 -0.24 0.01 0.00 -0.13 0.00 0.00 55.73 55.90 3kjj s ARG 92 Cb -0.35 0.17 -0.01 0.00 -1.56 0.00 0.00 34.95 33.20 3kjj s ARG 92 CO 0.45 -0.09 -0.03 0.00 -0.81 0.00 0.00 175.30 174.82 3kjj s ALA 93 N -0.99 0.19 -0.10 6.12 0.00 -0.89 -5.00 121.76 121.10 3kjj s ALA 93 Ca -0.11 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.61 3kjj s ALA 93 Cb -0.06 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.08 3kjj s ALA 93 CO 0.01 -0.00 -0.09 0.00 0.00 0.00 0.00 175.76 175.68 3kjj s VAL 95 N 1.40 0.62 -0.22 0.00 -7.23 -0.62 -5.00 120.40 109.36 3kjj s VAL 95 Ca -0.01 -1.49 -0.19 0.00 -1.81 0.00 0.00 61.98 58.48 3kjj s VAL 95 Cb -0.13 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.65 3kjj s VAL 95 CO -0.05 -0.61 0.55 -0.70 -0.31 0.00 0.00 175.10 173.98 3kjj s GLU 96 N -2.66 4.16 -0.23 4.82 2.12 -1.26 -1.43 118.70 124.22 3kjj s GLU 96 Ca 0.01 0.44 -0.15 0.00 0.36 0.00 0.00 54.97 55.63 3kjj s GLU 96 Cb -0.03 -3.59 0.07 0.00 0.26 0.00 0.00 34.13 30.84 3kjj s GLU 96 CO -0.02 -0.23 0.58 0.00 -0.54 0.00 0.00 175.26 175.05 3kjj s ALA 97 N 1.89 -1.52 0.61 6.30 0.00 0.15 -4.90 121.76 124.30 3kjj s ALA 97 Ca 0.24 1.98 -0.17 0.00 0.00 0.00 0.00 51.96 54.02 3kjj s ALA 97 Cb -0.16 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 3kjj s ALA 97 CO 0.09 -0.32 1.11 1.03 0.00 0.00 0.00 175.76 177.68 3kjj s ARG 98 N 1.32 3.03 0.49 0.00 0.52 -1.26 -3.18 118.95 119.86 3kjj s ARG 98 Ca -0.08 1.47 0.01 0.00 -0.52 0.00 0.00 55.73 56.61 3kjj s ARG 98 Cb -0.06 -1.97 0.01 0.00 0.52 0.00 0.00 34.95 33.45 3kjj s ARG 98 CO -0.14 -1.08 0.09 1.28 0.02 0.00 0.00 175.30 175.47 3kjj n LEU 99 N -1.98 0.00 0.29 2.53 4.77 -1.26 -4.99 117.00 116.36 3kjj n LEU 99 Ca 0.11 -2.96 0.15 0.00 -0.03 0.00 0.00 56.01 53.28 3kjj n LEU 99 Cb 0.52 0.25 0.90 0.00 -2.33 0.00 0.00 43.42 42.75 3kjj n LEU 99 CO 0.46 -0.46 1.13 0.00 -1.33 0.00 0.00 177.39 177.18 3kjj h ALA 100 N 1.11 1.57 -3.68 -1.18 0.00 -1.96 -3.40 119.26 111.72 3kjj h ALA 100 Ca -0.39 -0.00 -0.56 0.00 0.00 0.00 0.00 54.91 53.96 3kjj h ALA 100 Cb 1.21 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.79 3kjj h ALA 100 CO 0.63 -0.02 -0.83 1.03 0.00 0.00 0.00 179.25 180.06 3kjj s ARG 101 N -4.66 1.14 0.31 0.00 1.81 -1.26 -5.04 118.95 111.25 3kjj s ARG 101 Ca -0.05 -1.17 0.05 0.00 -1.72 0.00 0.00 55.73 52.83 3kjj s ARG 101 Cb 0.15 -1.42 0.52 0.00 -0.45 0.00 0.00 34.95 33.76 3kjj s ARG 101 CO 0.55 0.33 1.78 -1.00 -0.68 0.00 0.00 175.30 176.29 3kjj h PRO 102 N 4.06 0.40 0.00 3.54 0.13 -2.03 -2.85 132.00 135.25 3kjj h PRO 102 Ca -0.46 -0.13 -0.04 0.00 -0.87 0.00 0.00 66.00 64.49 3kjj h PRO 102 Cb 1.18 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3kjj h PRO 102 CO 0.40 0.60 -0.21 0.93 -0.23 0.00 0.00 178.00 179.48 3kjj h GLU 103 N 0.36 0.00 -6.42 0.86 3.07 -1.96 -3.44 114.58 107.05 3kjj h GLU 103 Ca 0.06 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.38 3kjj h GLU 103 Cb 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 3kjj h GLU 103 CO 0.04 0.21 0.76 -1.58 -1.40 0.00 0.00 179.01 177.04 3kjj s TRP 104 N -4.46 3.05 -0.46 4.33 0.51 -1.08 -4.91 118.94 115.92 3kjj s TRP 104 Ca -0.03 0.94 0.10 0.00 -2.12 0.00 0.00 56.10 54.99 3kjj s TRP 104 Cb 0.15 -3.62 -0.11 0.00 -0.81 0.00 0.00 33.47 29.08 3kjj s TRP 104 CO 0.68 -2.19 0.43 0.54 -0.51 0.00 0.00 176.95 175.90 3kjj n ARG 105 N 4.84 3.40 -3.68 4.98 1.74 -1.26 -4.65 116.66 122.03 3kjj n ARG 105 Ca 0.12 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 57.05 3kjj n ARG 105 Cb 0.44 -1.00 -0.08 0.00 -1.02 0.00 0.00 32.46 30.79 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 -2.02 0.01 -0.02 1.55 0.11 -1.26 -2.42 120.40 116.35 3kjj s VAL 106 Ca 0.03 -0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.02 3kjj s VAL 106 Cb 0.08 -0.75 0.01 0.00 -1.53 0.00 0.00 36.38 34.19 3kjj s VAL 106 CO 0.42 -0.04 -0.03 -0.70 -3.33 0.00 0.00 175.10 171.42 3kjj s GLU 107 N -0.18 0.39 -0.11 1.54 2.12 -0.58 -4.23 118.70 117.65 3kjj s GLU 107 Ca -0.04 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.24 3kjj s GLU 107 Cb -0.03 -0.44 0.01 0.00 0.26 0.00 0.00 34.13 33.93 3kjj s GLU 107 CO 0.03 0.00 -0.16 0.42 -0.54 0.00 0.00 175.26 175.01 3kjj s ILE 108 N 0.36 1.55 -0.17 -3.70 1.01 -1.26 -0.73 121.20 118.26 3kjj s ILE 108 Ca -0.04 -0.68 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 3kjj s ILE 108 Cb -0.07 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 3kjj s ILE 108 CO -0.01 0.45 -0.04 -0.75 0.00 0.00 0.00 174.94 174.60 3kjj s LYS 109 N 0.94 3.61 -0.01 2.79 2.20 -0.68 -4.55 119.74 124.04 3kjj s LYS 109 Ca -0.07 -0.54 0.06 0.00 -0.36 0.00 0.00 55.97 55.05 3kjj s LYS 109 Cb -0.15 -2.94 -0.03 0.00 -1.51 0.00 0.00 37.83 33.20 3kjj s LYS 109 CO -0.01 0.15 -0.18 0.42 -0.36 0.00 0.00 175.35 175.37 3kjj s ILE 110 N 0.60 2.79 -0.10 5.43 -1.09 -1.25 -1.20 121.20 126.38 3kjj s ILE 110 Ca -0.03 -0.97 0.03 0.00 -2.23 0.00 0.00 60.65 57.45 3kjj s ILE 110 Cb -0.14 -2.11 0.00 0.00 -1.58 0.00 0.00 42.46 38.63 3kjj s ILE 110 CO 0.02 0.49 -0.21 -0.89 -1.23 0.00 0.00 174.94 173.12 3kjj s THR 111 N -0.79 1.87 0.33 2.92 2.01 0.44 -1.57 115.64 120.85 3kjj s THR 111 Ca 0.13 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.27 3kjj s THR 111 Cb -0.10 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 3kjj s THR 111 CO 0.02 0.52 0.17 0.00 -0.69 0.00 0.00 174.62 174.64 3kjj s ALA 112 N 0.52 2.16 0.31 7.40 0.00 0.88 0.41 121.76 133.45 3kjj s ALA 112 Ca -0.15 -1.70 0.10 0.00 0.00 0.00 0.00 51.96 50.21 3kjj s ALA 112 Cb -0.17 1.12 -0.05 0.00 0.00 0.00 0.00 23.12 24.02 3kjj s ALA 112 CO 0.05 -0.50 -0.08 0.14 0.00 0.00 0.00 175.76 175.37 3kjj s VAL 113 N -3.49 2.65 0.55 0.00 -7.23 0.74 0.81 120.40 114.43 3kjj s VAL 113 Ca 0.34 -2.16 -0.13 0.00 -1.81 0.00 0.00 61.98 58.22 3kjj s VAL 113 Cb 0.04 -2.61 -0.06 0.00 0.56 0.00 0.00 36.38 34.31 3kjj s VAL 113 CO 0.19 -0.30 0.98 -0.75 -0.31 0.00 0.00 175.10 174.91 3kjj s LYS 114 N -3.62 3.76 0.00 4.82 2.20 0.44 -4.67 119.74 122.68 3kjj s LYS 114 Ca 0.32 0.80 0.27 0.00 -0.36 0.00 0.00 55.97 57.00 3kjj s LYS 114 Cb -0.02 -2.14 1.59 0.00 -1.51 0.00 0.00 37.83 35.75 3kjj s LYS 114 CO 0.17 -0.39 1.94 0.54 -0.36 0.00 0.00 175.35 177.26