#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 -0.12 -4.52 0.26 8.00 -1.26 -4.01 116.55 114.90 3kjj n ASP 2 Ca 0.00 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.16 3kjj n ASP 2 Cb 0.00 0.14 -0.12 0.00 -0.02 0.00 0.00 41.12 41.12 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 -1.29 3.72 -0.10 0.53 1.01 -1.26 -4.19 121.20 119.61 3kjj s ILE 3 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.21 3kjj s ILE 3 Cb 0.00 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 3kjj s ILE 3 CO 0.00 0.54 -0.10 -0.60 0.00 0.00 0.00 174.94 174.78 3kjj s ARG 4 N -0.10 3.09 -0.11 2.79 3.52 -0.33 -4.98 118.95 122.84 3kjj s ARG 4 Ca 0.01 -0.61 -0.00 0.00 -0.13 0.00 0.00 55.73 55.00 3kjj s ARG 4 Cb -0.13 -2.63 -0.02 0.00 -1.56 0.00 0.00 34.95 30.60 3kjj s ARG 4 CO 0.03 0.43 -0.08 0.71 -0.81 0.00 0.00 175.30 175.57 3kjj s TYR 5 N -0.19 2.90 -0.04 5.12 2.02 -1.26 -0.78 117.35 125.11 3kjj s TYR 5 Ca 0.01 -0.25 0.07 0.00 -0.37 0.00 0.00 57.07 56.53 3kjj s TYR 5 Cb -0.13 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.61 3kjj s TYR 5 CO 0.03 0.08 -0.25 -0.06 -1.57 0.00 0.00 175.55 173.77 3kjj s PHE 6 N -0.19 2.39 -1.24 2.71 0.08 0.13 -4.76 117.98 117.10 3kjj s PHE 6 Ca 0.02 -0.62 -0.05 0.00 0.12 0.00 0.00 56.93 56.40 3kjj s PHE 6 Cb -0.13 -1.56 -0.01 0.00 -0.57 0.00 0.00 43.02 40.75 3kjj s PHE 6 CO 0.03 -0.15 0.74 0.41 -0.10 0.00 0.00 175.22 176.15 3kjj n GLY 7 N 2.76 -0.54 3.72 4.36 0.00 -1.26 -1.36 105.19 112.85 3kjj n GLY 7 Ca -0.17 0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.60 4.06 0.46 2.61 2.01 -1.26 -2.50 115.64 117.42 3kjj s THR 8 Ca 0.16 1.52 0.06 0.00 0.31 0.00 0.00 61.69 63.74 3kjj s THR 8 Cb -0.04 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 3kjj s THR 8 CO 0.81 0.14 0.25 0.42 -0.69 0.00 0.00 174.62 175.55 3kjj s THR 9 N 0.85 2.07 -0.56 -0.82 -4.23 1.00 -4.97 115.64 108.99 3kjj s THR 9 Ca 0.57 -1.62 0.08 0.00 -1.18 0.00 0.00 61.69 59.54 3kjj s THR 9 Cb -0.29 -2.70 0.08 0.00 1.34 0.00 0.00 72.50 70.94 3kjj s THR 9 CO 0.30 0.00 1.21 -2.65 -0.54 0.00 0.00 174.62 172.94 3kjj n PRO 10 N -1.42 0.06 -0.01 3.99 -0.02 -1.26 -3.57 135.00 132.76 3kjj n PRO 10 Ca -0.02 0.52 -0.02 0.00 -2.02 0.00 0.00 63.50 61.96 3kjj n PRO 10 Cb 0.64 -1.75 -0.02 0.00 -0.02 0.00 0.00 33.50 32.36 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 -1.78 1.68 -3.54 -0.52 0.63 -1.26 -5.09 116.66 106.79 3kjj n ARG 11 Ca -0.01 0.01 -0.10 0.00 -0.92 0.00 0.00 57.85 56.84 3kjj n ARG 11 Cb 0.08 -1.06 -0.02 0.00 0.45 0.00 0.00 32.46 31.91 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 -2.06 -0.40 0.02 -0.14 -0.85 -1.23 -5.16 117.35 107.52 3kjj s TYR 12 Ca -0.03 0.16 0.03 0.00 -0.52 0.00 0.00 57.07 56.72 3kjj s TYR 12 Cb 0.01 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 42.90 3kjj s TYR 12 CO 0.08 -0.83 -0.04 -1.12 -1.52 0.00 0.00 175.55 172.12 3kjj s SER 13 N -2.72 4.78 0.27 -0.18 0.01 -1.26 -0.00 113.70 114.59 3kjj s SER 13 Ca 0.05 -0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.18 3kjj s SER 13 Cb -0.02 -1.14 0.36 0.00 0.21 0.00 0.00 66.02 65.43 3kjj s SER 13 CO -0.08 0.26 1.71 -0.33 0.41 0.00 0.00 173.24 175.21 3kjj h GLU 14 N 4.29 0.55 -3.71 12.44 4.39 -0.91 -3.37 114.58 128.26 3kjj h GLU 14 Ca -0.48 -0.21 -0.20 0.00 0.34 0.00 0.00 59.36 58.81 3kjj h GLU 14 Cb 1.17 -0.03 -0.25 0.00 -0.10 0.00 0.00 28.75 29.53 3kjj h GLU 14 CO 0.55 0.75 -0.67 0.00 -1.16 0.00 0.00 179.01 178.48 3kjj s ALA 15 N -4.55 -0.06 -0.04 3.43 0.00 -0.78 -0.73 121.76 119.02 3kjj s ALA 15 Ca -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 51.96 51.80 3kjj s ALA 15 Cb 0.14 0.00 0.03 0.00 0.00 0.00 0.00 23.12 23.29 3kjj s ALA 15 CO 0.80 -0.07 0.01 0.08 0.00 0.00 0.00 175.76 176.58 3kjj s VAL 16 N -0.44 0.17 -0.04 0.00 1.01 0.10 0.18 120.40 121.38 3kjj s VAL 16 Ca -0.05 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.13 3kjj s VAL 16 Cb -0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 3kjj s VAL 16 CO -0.00 0.18 -0.16 -0.83 0.00 0.00 0.00 175.10 174.29 3kjj s GLY 17 N 1.44 1.51 -0.20 4.51 0.00 0.04 -0.10 107.32 114.51 3kjj s GLY 17 Ca -0.04 -1.01 -0.10 0.00 0.00 0.00 0.00 44.72 43.58 3kjj s GLY 17 CO -0.03 -0.80 0.47 0.00 0.00 0.00 0.00 173.10 172.74 3kjj s ALA 18 N -0.73 -1.25 -1.37 3.20 0.00 -0.64 -1.19 121.76 119.78 3kjj s ALA 18 Ca 0.12 1.71 -0.12 0.00 0.00 0.00 0.00 51.96 53.67 3kjj s ALA 18 Cb -0.11 -1.13 0.01 0.00 0.00 0.00 0.00 23.12 21.89 3kjj s ALA 18 CO 0.01 -0.41 0.41 -1.71 0.00 0.00 0.00 175.76 174.05 3kjj n ASN 19 N 4.55 -1.56 0.00 0.00 5.15 -1.26 -1.47 115.26 120.68 3kjj n ASN 19 Ca -0.19 -1.17 0.00 0.00 -0.60 0.00 0.00 54.58 52.62 3kjj n ASN 19 Cb 0.54 -2.31 0.00 0.00 -0.53 0.00 0.00 39.78 37.48 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 -2.16 2.55 3.88 8.20 0.00 -1.26 -5.02 105.19 111.39 3kjj n GLY 20 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 4.28 -0.09 0.99 1.43 -0.54 -0.47 118.68 124.28 3kjj s LEU 21 Ca 0.00 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 53.84 3kjj s LEU 21 Cb 0.00 -3.24 0.01 0.00 0.03 0.00 0.00 46.19 42.99 3kjj s LEU 21 CO 0.00 0.08 -0.15 -0.63 0.23 0.00 0.00 176.35 175.88 3kjj s ILE 22 N -1.58 1.41 -0.20 -0.59 1.01 0.17 -1.62 121.20 119.81 3kjj s ILE 22 Ca 0.39 -0.62 -0.02 0.00 0.00 0.00 0.00 60.65 60.40 3kjj s ILE 22 Cb -0.13 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 41.07 3kjj s ILE 22 CO 0.21 0.42 -0.11 -0.36 0.00 0.00 0.00 174.94 175.11 3kjj s PHE 23 N 0.75 2.88 -0.01 3.97 0.08 0.85 -0.02 117.98 126.49 3kjj s PHE 23 Ca -0.12 -1.17 -0.05 0.00 0.12 0.00 0.00 56.93 55.71 3kjj s PHE 23 Cb -0.16 -2.02 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 3kjj s PHE 23 CO 0.02 -0.62 0.23 -0.51 -0.10 0.00 0.00 175.22 174.24 3kjj s LEU 24 N 1.33 4.37 0.82 -0.37 1.43 -0.53 -0.72 118.68 125.00 3kjj s LEU 24 Ca 0.04 0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 53.48 3kjj s LEU 24 Cb -0.14 -2.62 0.09 0.00 0.03 0.00 0.00 46.19 43.55 3kjj s LEU 24 CO -0.06 0.26 1.19 -0.44 0.23 0.00 0.00 176.35 177.53 3kjj s SER 25 N -1.76 3.56 0.32 2.29 0.01 0.09 -4.16 113.70 114.04 3kjj s SER 25 Ca 0.27 2.30 0.00 0.00 1.31 0.00 0.00 55.95 59.82 3kjj s SER 25 Cb -0.13 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.52 3kjj s SER 25 CO 0.16 -2.69 0.00 0.61 0.41 0.00 0.00 173.24 171.74 3kjj n GLY 26 N 0.33 -3.04 0.00 3.44 0.00 -1.26 -4.61 105.19 100.05 3kjj n GLY 26 Ca 0.13 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.61 0.00 -2.23 1.61 0.24 -1.26 -4.90 118.33 110.19 3kjj n VAL 28 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 3kjj n VAL 28 Cb 0.00 0.00 -0.03 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 4.39 -0.00 7.34 0.02 -1.26 -4.79 135.00 138.70 3kjj s PRO 29 Ca 0.00 2.04 0.13 0.00 0.02 0.00 0.00 61.00 63.19 3kjj s PRO 29 Cb 0.00 -3.21 -0.15 0.00 0.02 0.00 0.00 34.50 31.16 3kjj s PRO 29 CO 0.00 -0.26 0.51 0.39 -0.33 0.00 0.00 177.00 177.31 3kjj n GLU 30 N 2.77 2.29 -3.88 5.54 1.02 -1.26 -5.01 120.64 122.12 3kjj n GLU 30 Ca 0.07 -0.02 -0.11 0.00 -0.02 0.00 0.00 57.16 57.07 3kjj n GLU 30 Cb 0.43 -1.15 -0.10 0.00 -0.02 0.00 0.00 31.44 30.60 3kjj n GLU 30 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3kjj s ASN 31 N -2.46 0.04 0.00 1.62 0.01 -1.26 -5.15 114.94 107.74 3kjj s ASN 31 Ca 0.03 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 51.94 3kjj s ASN 31 Cb 0.10 0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.96 3kjj s ASN 31 CO 0.54 -0.38 0.00 0.61 -1.51 0.00 0.00 177.10 176.36 3kjj n GLY 32 N 1.41 0.32 0.07 0.66 0.00 -1.26 -4.21 105.19 102.18 3kjj n GLY 32 Ca -0.23 -1.73 -0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 0.43 0.01 -1.98 1.61 2.13 -1.26 -4.75 120.64 116.83 3kjj n GLU 33 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.51 3kjj n GLU 33 Cb 0.00 -0.98 0.01 0.00 0.27 0.00 0.00 31.44 30.74 3kjj n GLU 33 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3kjj s THR 34 N -2.01 4.33 0.26 6.31 -4.23 -1.26 -4.88 115.64 114.16 3kjj s THR 34 Ca -0.01 0.92 -0.01 0.00 -1.18 0.00 0.00 61.69 61.41 3kjj s THR 34 Cb 0.00 -3.63 0.25 0.00 1.34 0.00 0.00 72.50 70.46 3kjj s THR 34 CO 0.01 -0.83 1.81 0.00 -0.54 0.00 0.00 174.62 175.07 3kjj h ALA 35 N 0.08 1.34 -0.50 3.99 0.00 -1.95 -0.85 119.26 121.37 3kjj h ALA 35 Ca -0.45 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 3kjj h ALA 35 Cb 1.20 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3kjj h ALA 35 CO 0.60 0.13 0.08 0.00 0.00 0.00 0.00 179.25 180.05 3kjj h ALA 36 N 1.51 0.66 -0.51 0.00 0.00 -1.93 0.13 119.26 119.11 3kjj h ALA 36 Ca 0.45 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3kjj h ALA 36 Cb 0.46 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3kjj h ALA 36 CO -0.27 0.40 -0.05 0.93 0.00 0.00 0.00 179.25 180.25 3kjj h GLU 37 N 0.70 0.94 -0.14 0.00 5.08 -1.82 -1.87 114.58 117.47 3kjj h GLU 37 Ca 0.15 -0.33 -0.19 0.00 -1.00 0.00 0.00 59.36 58.00 3kjj h GLU 37 Cb 0.40 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3kjj h GLU 37 CO 0.01 0.99 -0.67 1.96 -1.00 0.00 0.00 179.01 180.29 3kjj h GLN 38 N 0.80 0.57 -0.58 2.33 4.20 -1.07 -2.29 115.11 119.07 3kjj h GLN 38 Ca 0.14 -0.42 -0.06 0.00 0.06 0.00 0.00 58.65 58.37 3kjj h GLN 38 Cb 0.60 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 3kjj h GLN 38 CO 0.04 1.04 0.13 1.15 -0.67 0.00 0.00 178.83 180.52 3kjj h THR 39 N 0.41 1.25 -0.40 -0.54 2.02 -0.69 0.03 112.91 114.99 3kjj h THR 39 Ca -0.02 -0.92 0.04 0.00 0.77 0.00 0.00 66.41 66.28 3kjj h THR 39 Cb 1.25 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 68.36 3kjj h THR 39 CO 0.13 0.34 0.18 0.00 0.37 0.00 0.00 175.52 176.53 3kjj h ALA 40 N 1.02 0.49 -0.57 6.16 0.00 -1.25 -1.24 119.26 123.87 3kjj h ALA 40 Ca 0.18 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3kjj h ALA 40 Cb 0.37 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3kjj h ALA 40 CO 0.00 -0.20 0.09 0.22 0.00 0.00 0.00 179.25 179.37 3kjj h ASP 41 N 0.37 0.91 -0.14 0.00 3.58 -1.12 -1.03 116.42 118.99 3kjj h ASP 41 Ca 0.18 -0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 3kjj h ASP 41 Cb 0.11 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 3kjj h ASP 41 CO -0.15 0.94 0.07 0.58 -2.88 0.00 0.00 179.24 177.81 3kjj h VAL 42 N 0.84 1.11 -0.57 2.25 2.07 -0.81 -2.24 116.25 118.92 3kjj h VAL 42 Ca 0.17 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3kjj h VAL 42 Cb 0.42 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3kjj h VAL 42 CO 0.01 0.10 0.30 -0.07 0.02 0.00 0.00 177.57 177.94 3kjj h LEU 43 N 0.10 0.69 -1.03 2.57 3.38 -1.09 -1.65 115.31 118.29 3kjj h LEU 43 Ca 0.05 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3kjj h LEU 43 Cb 0.10 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3kjj h LEU 43 CO -0.01 0.57 -0.12 0.00 0.09 0.00 0.00 178.44 178.97 3kjj h ALA 44 N 1.55 1.19 -0.53 1.53 0.00 -1.01 -0.80 119.26 121.18 3kjj h ALA 44 Ca 0.20 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3kjj h ALA 44 Cb 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3kjj h ALA 44 CO -0.03 0.52 -0.14 1.96 0.00 0.00 0.00 179.25 181.56 3kjj h GLN 45 N 0.51 1.03 -0.03 0.00 4.20 -0.76 -2.09 115.11 117.97 3kjj h GLN 45 Ca 0.09 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.41 3kjj h GLN 45 Cb 0.52 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 3kjj h GLN 45 CO 0.03 1.08 0.01 0.82 -0.67 0.00 0.00 178.83 180.10 3kjj h ILE 46 N 0.91 0.99 -0.53 2.54 2.04 -0.96 -0.18 117.51 122.32 3kjj h ILE 46 Ca 0.13 -0.01 0.11 0.00 1.00 0.00 0.00 64.86 66.09 3kjj h ILE 46 Cb 0.71 0.97 -0.09 0.00 -0.74 0.00 0.00 36.82 37.66 3kjj h ILE 46 CO 0.05 0.00 -0.04 0.44 0.00 0.00 0.00 178.15 178.61 3kjj h ASP 47 N 0.02 -0.30 0.32 1.72 3.32 -1.10 0.27 116.42 120.68 3kjj h ASP 47 Ca 0.01 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3kjj h ASP 47 Cb 0.01 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3kjj h ASP 47 CO -0.02 -0.11 -0.25 -0.09 -1.72 0.00 0.00 179.24 177.05 3kjj h ARG 48 N 0.08 -0.56 -0.53 3.56 1.12 -0.91 -0.76 114.38 116.39 3kjj h ARG 48 Ca 0.27 0.04 -0.09 0.00 -1.11 0.00 0.00 59.98 59.09 3kjj h ARG 48 Cb 0.41 0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 30.48 3kjj h ARG 48 CO -0.47 -0.37 -0.02 -1.49 -3.11 0.00 0.00 179.97 174.51 3kjj h TRP 49 N -0.58 1.00 0.10 2.20 4.06 -0.76 -1.61 115.95 120.36 3kjj h TRP 49 Ca -0.02 -0.16 0.01 0.00 2.06 0.00 0.00 58.89 60.77 3kjj h TRP 49 Cb 0.50 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.39 3kjj h TRP 49 CO -0.13 0.91 -0.11 -0.07 -3.56 0.00 0.00 178.44 175.48 3kjj h LEU 50 N 0.85 -0.30 -0.27 -4.49 3.38 -0.33 -1.95 115.31 112.20 3kjj h LEU 50 Ca 0.15 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.19 3kjj h LEU 50 Cb 0.53 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 3kjj h LEU 50 CO 0.03 -0.17 0.06 0.00 0.09 0.00 0.00 178.44 178.45 3kjj h ALA 51 N 0.64 0.28 -0.94 1.53 0.00 -0.98 0.58 119.26 120.37 3kjj h ALA 51 Ca 0.01 0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.19 3kjj h ALA 51 Cb 0.24 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 3kjj h ALA 51 CO -0.04 -0.35 0.63 1.49 0.00 0.00 0.00 179.25 180.97 3kjj h GLU 52 N 0.17 0.36 -0.33 0.00 4.57 -1.15 -1.99 114.58 116.20 3kjj h GLU 52 Ca 0.12 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 3kjj h GLU 52 Cb 0.12 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3kjj h GLU 52 CO -0.15 0.24 0.00 0.00 -1.18 0.00 0.00 179.01 177.91 3kjj n GLY 54 N 1.31 0.35 1.73 0.00 0.00 -0.75 -4.79 105.19 103.04 3kjj n GLY 54 Ca 0.17 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 1.81 1.15 -2.96 1.61 2.88 -0.30 -1.42 113.62 116.39 3kjj n SER 55 Ca -0.01 -2.12 -0.08 0.00 -1.33 0.00 0.00 58.87 55.33 3kjj n SER 55 Cb 0.44 0.52 0.03 0.00 -0.75 0.00 0.00 64.21 64.44 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 -2.29 0.02 0.50 -3.46 1.47 -1.26 -3.34 116.67 108.30 3kjj s ASP 56 Ca 0.10 -1.08 0.24 0.00 1.18 0.00 0.00 52.55 53.00 3kjj s ASP 56 Cb 0.00 0.78 1.31 0.00 -0.34 0.00 0.00 42.92 44.68 3kjj s ASP 56 CO 0.07 -1.56 2.03 0.07 0.68 0.00 0.00 175.17 176.47 3kjj h LYS 57 N 2.00 0.00 0.00 2.11 2.10 -1.94 -0.49 116.57 120.35 3kjj h LYS 57 Ca -0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 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 0.41 0.15 0.00 0.00 -2.00 0.00 0.00 179.45 178.01 3kjj n ALA 58 N -2.32 2.44 -1.82 0.07 0.00 -1.26 -2.94 120.51 114.67 3kjj n ALA 58 Ca -0.02 -0.13 0.05 0.00 0.00 0.00 0.00 53.44 53.35 3kjj n ALA 58 Cb 0.26 -1.34 0.13 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.90 0.00 -2.75 0.00 8.25 -0.20 -4.97 115.22 114.66 3kjj n HIS 59 Ca 0.16 -1.03 -0.42 0.00 -0.26 0.00 0.00 57.72 56.17 3kjj n HIS 59 Cb 0.07 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 30.96 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 -2.00 4.81 -0.18 1.59 1.01 -1.15 -1.28 120.40 123.21 3kjj s VAL 60 Ca 0.33 2.01 -0.20 0.00 0.00 0.00 0.00 61.98 64.12 3kjj s VAL 60 Cb 0.33 -4.29 -0.22 0.00 0.00 0.00 0.00 36.38 32.20 3kjj s VAL 60 CO -0.08 0.20 0.33 -0.07 0.00 0.00 0.00 175.10 175.48 3kjj h LEU 61 N 6.55 0.10 -7.52 3.92 3.38 -1.30 -3.39 115.31 117.05 3kjj h LEU 61 Ca -0.41 -0.66 -0.16 0.00 0.09 0.00 0.00 57.88 56.74 3kjj h LEU 61 Cb 1.22 -0.03 -0.25 0.00 0.09 0.00 0.00 40.66 41.69 3kjj h LEU 61 CO 0.74 1.51 -0.43 -0.62 0.09 0.00 0.00 178.44 179.73 3kjj s ASP 62 N -6.84 -0.21 -0.03 -0.43 2.15 -0.91 -0.95 116.67 109.45 3kjj s ASP 62 Ca -0.26 0.36 0.00 0.00 0.43 0.00 0.00 52.55 53.08 3kjj s ASP 62 Cb 0.05 0.44 0.03 0.00 -0.30 0.00 0.00 42.92 43.13 3kjj s ASP 62 CO 0.65 -0.15 0.01 0.00 -0.17 0.00 0.00 175.17 175.51 3kjj s ALA 63 N -0.18 0.29 -0.21 3.66 0.00 0.41 -1.18 121.76 124.55 3kjj s ALA 63 Ca -0.03 0.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.06 3kjj s ALA 63 Cb -0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 3kjj s ALA 63 CO 0.01 -0.10 -0.01 0.08 0.00 0.00 0.00 175.76 175.73 3kjj s VAL 64 N 1.10 3.74 -0.21 0.00 1.01 0.51 -1.94 120.40 124.60 3kjj s VAL 64 Ca -0.09 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 3kjj s VAL 64 Cb -0.13 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 3kjj s VAL 64 CO -0.02 0.42 -0.03 -0.63 0.00 0.00 0.00 175.10 174.84 3kjj s ILE 65 N 1.23 3.56 -0.20 2.22 1.01 0.37 -1.04 121.20 128.36 3kjj s ILE 65 Ca 0.03 -0.43 -0.06 0.00 0.00 0.00 0.00 60.65 60.19 3kjj s ILE 65 Cb -0.15 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 3kjj s ILE 65 CO 0.00 0.42 0.03 -0.31 0.00 0.00 0.00 174.94 175.09 3kjj s TYR 66 N 1.32 3.12 -0.00 3.97 2.02 -0.22 -0.96 117.35 126.60 3kjj s TYR 66 Ca 0.04 -0.24 0.03 0.00 -0.37 0.00 0.00 57.07 56.53 3kjj s TYR 66 Cb -0.14 -2.10 -0.03 0.00 -0.40 0.00 0.00 41.96 39.28 3kjj s TYR 66 CO -0.01 -0.11 -0.07 -0.51 -1.57 0.00 0.00 175.55 173.29 3kjj s LEU 67 N 0.85 3.17 0.26 -1.29 1.43 -0.62 -1.38 118.68 121.09 3kjj s LEU 67 Ca 0.02 -0.14 -0.03 0.00 -1.03 0.00 0.00 54.13 52.96 3kjj s LEU 67 Cb -0.14 -1.80 0.32 0.00 0.03 0.00 0.00 46.19 44.60 3kjj s LEU 67 CO 0.02 0.29 1.79 -0.09 0.23 0.00 0.00 176.35 178.60 3kjj h ARG 68 N 4.59 0.90 0.00 1.70 2.43 -1.37 0.13 114.38 122.77 3kjj h ARG 68 Ca -0.48 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.49 3kjj h ARG 68 Cb 1.17 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3kjj h ARG 68 CO 0.53 0.82 0.00 -3.47 -1.51 0.00 0.00 179.97 176.34 3kjj n ASP 69 N -4.26 0.08 0.00 -3.80 4.64 -1.26 -4.57 116.55 107.39 3kjj n ASP 69 Ca 0.04 -0.45 0.00 0.00 -1.38 0.00 0.00 54.79 53.00 3kjj n ASP 69 Cb 0.24 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.32 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 0.21 0.00 0.62 0.27 0.00 -1.26 -4.32 105.19 100.71 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 1.82 0.01 1.61 8.00 -1.26 -4.53 116.55 122.21 3kjj n ASP 72 Ca 0.00 -1.88 -0.10 0.00 0.71 0.00 0.00 54.79 53.52 3kjj n ASP 72 Cb 0.00 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 40.88 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 2.15 -0.57 -0.73 1.24 3.20 -2.01 -2.53 116.97 117.71 3kjj h TYR 73 Ca 0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 3kjj h TYR 73 Cb 0.48 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 3kjj h TYR 73 CO 0.19 -0.30 0.36 0.00 -1.64 0.00 0.00 178.16 176.77 3kjj h ALA 74 N 0.66 0.94 0.00 1.82 0.00 -1.98 -1.83 119.26 118.86 3kjj h ALA 74 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kjj h ALA 74 Cb 0.42 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3kjj h ALA 74 CO -0.27 0.49 0.00 -1.91 0.00 0.00 0.00 179.25 177.56 3kjj n GLU 75 N -4.43 0.18 0.00 0.00 2.13 -0.95 -1.91 120.64 115.65 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 0.12 -1.09 0.00 0.00 0.27 0.00 0.00 31.44 30.74 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 0.42 0.00 -0.28 4.31 3.02 -0.69 -3.37 115.26 118.67 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 0.04 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.33 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 1.17 0.54 7.41 0.00 -1.65 0.72 103.07 111.26 3kjj h GLY 78 Ca 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 3kjj h GLY 78 CO 0.00 0.26 -0.14 -2.08 0.00 0.00 0.00 176.54 174.58 3kjj h VAL 79 N 0.91 1.45 -0.30 4.60 2.07 -1.85 -3.10 116.25 120.03 3kjj h VAL 79 Ca 0.34 -1.54 0.06 0.00 0.82 0.00 0.00 66.70 66.37 3kjj h VAL 79 Cb 0.11 2.34 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 3kjj h VAL 79 CO -0.15 0.42 -0.02 -0.25 0.02 0.00 0.00 177.57 177.60 3kjj h TRP 80 N -0.36 -0.05 -0.53 1.57 2.91 -1.78 -2.40 115.95 115.31 3kjj h TRP 80 Ca -0.00 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.03 3kjj h TRP 80 Cb 0.76 0.07 -0.03 0.00 -0.51 0.00 0.00 29.16 29.45 3kjj h TRP 80 CO 0.13 -0.07 0.29 -0.44 -1.03 0.00 0.00 178.44 177.32 3kjj h ASP 81 N 0.07 0.64 0.78 2.65 3.32 0.37 -1.41 116.42 122.83 3kjj h ASP 81 Ca 0.15 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 3kjj h ASP 81 Cb 0.20 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3kjj h ASP 81 CO -0.26 0.52 -0.57 0.00 -1.72 0.00 0.00 179.24 177.21 3kjj h ALA 82 N 1.59 0.91 0.15 3.45 0.00 -1.42 -3.35 119.26 120.58 3kjj h ALA 82 Ca 0.19 -0.52 -0.29 0.00 0.00 0.00 0.00 54.91 54.29 3kjj h ALA 82 Cb 0.02 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.73 3kjj h ALA 82 CO -0.03 0.71 -1.43 2.35 0.00 0.00 0.00 179.25 180.85 3kjj h TRP 83 N 0.00 0.57 -3.27 0.00 7.01 -0.79 -3.48 115.95 115.99 3kjj h TRP 83 Ca -0.01 -0.42 -0.58 0.00 2.11 0.00 0.00 58.89 60.00 3kjj h TRP 83 Cb 1.11 -0.02 0.14 0.00 -2.10 0.00 0.00 29.16 28.29 3kjj h TRP 83 CO 0.00 1.56 0.13 1.33 -2.79 0.00 0.00 178.44 178.67 3kjj n VAL 84 N -3.85 2.87 -2.19 2.65 0.24 -0.64 -4.90 118.33 112.51 3kjj n VAL 84 Ca -0.23 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.14 3kjj n VAL 84 Cb 0.95 -1.15 -0.02 0.00 -1.47 0.00 0.00 33.84 32.15 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 -1.39 3.50 0.36 2.33 0.00 -1.26 -4.96 121.76 120.34 3kjj s ALA 85 Ca 0.68 0.59 -0.28 0.00 0.00 0.00 0.00 51.96 52.95 3kjj s ALA 85 Cb -0.49 -3.75 -0.10 0.00 0.00 0.00 0.00 23.12 18.78 3kjj s ALA 85 CO 0.53 -1.54 1.32 0.00 0.00 0.00 0.00 175.76 176.07 3kjj s ALA 86 N 4.28 3.44 0.00 0.00 0.00 -1.26 -1.53 121.76 126.68 3kjj s ALA 86 Ca 0.66 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.89 3kjj s ALA 86 Cb -0.26 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3kjj s ALA 86 CO 0.25 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.70 3kjj n GLY 87 N 0.73 1.37 2.66 0.00 0.00 -1.26 -4.80 105.19 103.89 3kjj n GLY 87 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 1.64 -3.25 1.61 1.74 -0.58 -5.10 116.66 110.72 3kjj n ARG 88 Ca 0.00 -3.49 -0.37 0.00 -0.77 0.00 0.00 57.85 53.22 3kjj n ARG 88 Cb 0.00 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 29.89 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 -3.62 4.72 0.78 0.55 -4.23 -1.19 -4.56 115.64 108.10 3kjj s THR 89 Ca 0.30 1.15 -0.11 0.00 -1.18 0.00 0.00 61.69 61.85 3kjj s THR 89 Cb 0.42 -3.86 0.07 0.00 1.34 0.00 0.00 72.50 70.47 3kjj s THR 89 CO -0.00 0.40 1.13 -2.16 -0.54 0.00 0.00 174.62 173.45 3kjj s PRO 90 N -1.51 2.09 0.29 3.99 0.04 -1.26 -5.01 135.00 133.62 3kjj s PRO 90 Ca 0.34 0.05 -0.30 0.00 0.04 0.00 0.00 61.00 61.13 3kjj s PRO 90 Cb -0.18 -2.01 -0.12 0.00 0.04 0.00 0.00 34.50 32.23 3kjj s PRO 90 CO 0.20 -1.47 1.56 0.00 0.04 0.00 0.00 177.00 177.33 3kjj n ALA 91 N -3.20 2.31 -2.84 8.56 0.00 -0.12 -4.88 120.51 120.34 3kjj n ALA 91 Ca 0.08 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.76 3kjj n ALA 91 Cb 0.61 -2.43 -0.13 0.00 0.00 0.00 0.00 19.45 17.49 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 -0.56 0.37 0.00 0.00 3.52 -1.26 -0.45 118.95 120.58 3kjj s ARG 92 Ca 0.64 -0.39 0.01 0.00 -0.13 0.00 0.00 55.73 55.86 3kjj s ARG 92 Cb -0.52 -0.24 -0.01 0.00 -1.56 0.00 0.00 34.95 32.63 3kjj s ARG 92 CO 0.49 0.05 -0.03 0.00 -0.81 0.00 0.00 175.30 175.00 3kjj s ALA 93 N -0.67 0.25 -0.15 6.12 0.00 -0.82 -4.98 121.76 121.51 3kjj s ALA 93 Ca -0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 51.96 51.68 3kjj s ALA 93 Cb -0.05 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.07 3kjj s ALA 93 CO -0.00 0.03 -0.08 0.00 0.00 0.00 0.00 175.76 175.71 3kjj s VAL 95 N 1.61 1.59 -0.33 0.00 -7.23 -0.13 -4.99 120.40 110.93 3kjj s VAL 95 Ca 0.03 -1.93 -0.22 0.00 -1.81 0.00 0.00 61.98 58.04 3kjj s VAL 95 Cb -0.14 -1.79 0.00 0.00 0.56 0.00 0.00 36.38 35.01 3kjj s VAL 95 CO -0.08 -0.45 0.74 -0.70 -0.31 0.00 0.00 175.10 174.30 3kjj s GLU 96 N -3.02 3.86 -0.13 4.82 2.12 -1.26 -1.59 118.70 123.49 3kjj s GLU 96 Ca 0.15 0.40 -0.12 0.00 0.36 0.00 0.00 54.97 55.77 3kjj s GLU 96 Cb -0.04 -3.76 0.04 0.00 0.26 0.00 0.00 34.13 30.63 3kjj s GLU 96 CO 0.05 -0.71 0.35 0.00 -0.54 0.00 0.00 175.26 174.41 3kjj s ALA 97 N 2.90 -0.86 0.51 6.30 0.00 0.47 -4.92 121.76 126.17 3kjj s ALA 97 Ca 0.30 1.01 -0.21 0.00 0.00 0.00 0.00 51.96 53.07 3kjj s ALA 97 Cb -0.14 -0.60 -0.07 0.00 0.00 0.00 0.00 23.12 22.32 3kjj s ALA 97 CO 0.14 -0.17 1.13 1.03 0.00 0.00 0.00 175.76 177.89 3kjj s ARG 98 N 0.32 3.52 0.56 0.00 0.52 -1.26 -3.42 118.95 119.18 3kjj s ARG 98 Ca -0.01 1.63 0.04 0.00 -0.52 0.00 0.00 55.73 56.88 3kjj s ARG 98 Cb -0.03 -2.13 0.04 0.00 0.52 0.00 0.00 34.95 33.35 3kjj s ARG 98 CO -0.01 -0.72 0.36 -0.51 0.02 0.00 0.00 175.30 174.44 3kjj s LEU 99 N -3.53 2.56 0.39 2.53 1.43 -1.26 -5.01 118.68 115.78 3kjj s LEU 99 Ca 0.69 -1.35 0.06 0.00 -1.03 0.00 0.00 54.13 52.51 3kjj s LEU 99 Cb -0.24 -1.05 0.80 0.00 0.03 0.00 0.00 46.19 45.72 3kjj s LEU 99 CO 0.28 -1.14 2.01 0.00 0.23 0.00 0.00 176.35 177.74 3kjj h ALA 100 N 0.78 1.62 -4.09 4.21 0.00 -1.97 -3.41 119.26 116.40 3kjj h ALA 100 Ca -0.37 -0.07 -0.69 0.00 0.00 0.00 0.00 54.91 53.78 3kjj h ALA 100 Cb 1.31 -0.16 -0.24 0.00 0.00 0.00 0.00 17.79 18.70 3kjj h ALA 100 CO 0.59 0.31 -0.80 1.03 0.00 0.00 0.00 179.25 180.38 3kjj s ARG 101 N -5.36 2.26 0.44 0.00 0.52 -1.26 -5.04 118.95 110.51 3kjj s ARG 101 Ca -0.08 -0.85 0.12 0.00 -0.52 0.00 0.00 55.73 54.39 3kjj s ARG 101 Cb 0.17 -2.24 0.98 0.00 0.52 0.00 0.00 34.95 34.37 3kjj s ARG 101 CO 0.74 0.58 2.02 -1.00 0.02 0.00 0.00 175.30 177.66 3kjj h PRO 102 N 5.01 0.18 0.00 3.54 0.13 -2.03 -2.53 132.00 136.30 3kjj h PRO 102 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3kjj h PRO 102 Cb 1.15 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3kjj h PRO 102 CO 0.49 0.23 -0.07 0.39 -0.23 0.00 0.00 178.00 178.81 3kjj n GLU 103 N -4.40 0.07 -2.35 0.86 4.71 -1.26 -4.73 120.64 113.54 3kjj n GLU 103 Ca -0.01 0.05 -0.43 0.00 -0.01 0.00 0.00 57.16 56.76 3kjj n GLU 103 Cb 0.17 -1.57 -0.02 0.00 -1.01 0.00 0.00 31.44 29.01 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 2.75 -1.08 -0.32 0.51 -0.96 -4.87 118.94 111.94 3kjj s TRP 104 Ca 0.13 0.89 0.18 0.00 -2.12 0.00 0.00 56.10 55.18 3kjj s TRP 104 Cb 0.17 -3.57 -0.15 0.00 -0.81 0.00 0.00 33.47 29.11 3kjj s TRP 104 CO 0.57 -2.05 0.83 0.54 -0.51 0.00 0.00 176.95 176.32 3kjj n ARG 105 N 6.44 1.07 -3.65 4.98 1.74 -1.26 -4.59 116.66 121.39 3kjj n ARG 105 Ca 0.14 -0.22 -0.14 0.00 -0.77 0.00 0.00 57.85 56.86 3kjj n ARG 105 Cb 0.45 -1.37 -0.08 0.00 -1.02 0.00 0.00 32.46 30.44 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 -2.60 -0.00 -0.02 1.55 0.11 -1.26 -1.79 120.40 116.39 3kjj s VAL 106 Ca 0.09 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 3kjj s VAL 106 Cb 0.14 -0.91 0.02 0.00 -1.53 0.00 0.00 36.38 34.10 3kjj s VAL 106 CO 0.69 0.00 0.01 -0.70 -3.33 0.00 0.00 175.10 171.77 3kjj s GLU 107 N 0.36 0.09 -0.11 1.54 2.12 -0.48 -4.17 118.70 118.05 3kjj s GLU 107 Ca -0.00 0.09 0.03 0.00 0.36 0.00 0.00 54.97 55.44 3kjj s GLU 107 Cb -0.05 -0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.09 3kjj s GLU 107 CO 0.01 -0.10 -0.19 0.42 -0.54 0.00 0.00 175.26 174.86 3kjj s ILE 108 N 0.72 1.73 -0.19 -3.70 1.01 -1.26 -1.05 121.20 118.46 3kjj s ILE 108 Ca -0.06 -0.80 -0.03 0.00 0.00 0.00 0.00 60.65 59.76 3kjj s ILE 108 Cb -0.09 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 3kjj s ILE 108 CO -0.02 0.49 -0.07 -0.75 0.00 0.00 0.00 174.94 174.59 3kjj s LYS 109 N 0.75 3.42 -0.03 2.79 2.36 -0.20 -4.46 119.74 124.37 3kjj s LYS 109 Ca -0.11 -0.63 0.06 0.00 -2.55 0.00 0.00 55.97 52.75 3kjj s LYS 109 Cb -0.16 -2.89 -0.02 0.00 -1.05 0.00 0.00 37.83 33.71 3kjj s LYS 109 CO 0.02 -0.02 -0.21 0.42 1.55 0.00 0.00 175.35 177.10 3kjj s ILE 110 N 1.00 2.47 -0.14 5.43 -1.09 -1.26 -0.37 121.20 127.24 3kjj s ILE 110 Ca -0.00 -0.96 0.00 0.00 -2.23 0.00 0.00 60.65 57.46 3kjj s ILE 110 Cb -0.15 -1.91 -0.01 0.00 -1.58 0.00 0.00 42.46 38.82 3kjj s ILE 110 CO -0.00 0.58 -0.14 -0.89 -1.23 0.00 0.00 174.94 173.26 3kjj s THR 111 N -0.67 2.87 0.32 2.92 2.01 -0.32 -1.46 115.64 121.31 3kjj s THR 111 Ca 0.11 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.42 3kjj s THR 111 Cb -0.10 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.15 3kjj s THR 111 CO -0.00 0.52 0.11 0.00 -0.69 0.00 0.00 174.62 174.55 3kjj s ALA 112 N 0.57 2.20 -0.05 7.40 0.00 0.97 -0.80 121.76 132.05 3kjj s ALA 112 Ca -0.09 -1.76 0.03 0.00 0.00 0.00 0.00 51.96 50.14 3kjj s ALA 112 Cb -0.16 0.91 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 3kjj s ALA 112 CO 0.03 -0.40 -0.13 0.54 0.00 0.00 0.00 175.76 175.80 3kjj s VAL 113 N -3.48 3.16 -0.09 0.00 0.11 -0.40 0.44 120.40 120.14 3kjj s VAL 113 Ca 0.34 -0.68 -0.30 0.00 -2.93 0.00 0.00 61.98 58.41 3kjj s VAL 113 Cb 0.06 -2.25 -0.03 0.00 -1.53 0.00 0.00 36.38 32.63 3kjj s VAL 113 CO 0.15 0.59 1.32 -0.75 -3.33 0.00 0.00 175.10 173.09 3kjj s LYS 114 N -0.72 4.27 0.31 1.54 2.20 0.38 -4.61 119.74 123.11 3kjj s LYS 114 Ca 0.11 1.79 -0.29 0.00 -0.36 0.00 0.00 55.97 57.23 3kjj s LYS 114 Cb -0.11 -3.70 -0.13 0.00 -1.51 0.00 0.00 37.83 32.39 3kjj s LYS 114 CO 0.01 -0.63 1.28 0.54 -0.36 0.00 0.00 175.35 176.19 3kjj n ARG 115 N 6.05 2.01 0.00 4.03 1.74 -0.51 -4.95 116.66 125.04 3kjj n ARG 115 Ca 0.13 0.71 0.13 0.00 -0.77 0.00 0.00 57.85 58.05 3kjj n ARG 115 Cb 0.45 -2.28 0.77 0.00 -1.02 0.00 0.00 32.46 30.38 3kjj n ARG 115 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86