#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjk s ILE 3 N 0.00 5.44 -0.13 0.53 1.01 -1.26 -4.32 121.20 122.47 3kjk s ILE 3 Ca 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 60.65 60.86 3kjk s ILE 3 Cb 0.00 -3.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.00 3kjk s ILE 3 CO 0.00 0.50 -0.13 -0.13 0.00 0.00 0.00 174.94 175.18 3kjk s ARG 4 N -0.11 3.35 -0.13 2.79 0.52 0.50 -4.97 118.95 120.90 3kjk s ARG 4 Ca 0.11 -0.68 -0.04 0.00 -0.52 0.00 0.00 55.73 54.59 3kjk s ARG 4 Cb -0.11 -2.63 -0.04 0.00 0.52 0.00 0.00 34.95 32.69 3kjk s ARG 4 CO 0.00 0.24 0.04 0.71 0.02 0.00 0.00 175.30 176.31 3kjk s TYR 5 N 0.29 3.24 -0.07 -0.53 2.02 -1.26 -0.32 117.35 120.72 3kjk s TYR 5 Ca -0.10 0.16 0.04 0.00 -0.37 0.00 0.00 57.07 56.80 3kjk s TYR 5 Cb -0.16 -1.91 0.00 0.00 -0.40 0.00 0.00 41.96 39.49 3kjk s TYR 5 CO 0.05 0.37 -0.19 -0.06 -1.57 0.00 0.00 175.55 174.15 3kjk s PHE 6 N -0.41 2.04 -1.20 2.71 0.08 0.10 -4.81 117.98 116.49 3kjk s PHE 6 Ca 0.09 -0.73 -0.00 0.00 0.12 0.00 0.00 56.93 56.41 3kjk s PHE 6 Cb -0.12 -1.39 -0.00 0.00 -0.57 0.00 0.00 43.02 40.94 3kjk s PHE 6 CO 0.02 -0.29 0.98 0.41 -0.10 0.00 0.00 175.22 176.24 3kjk n GLY 7 N 3.41 -0.38 3.70 4.36 0.00 -1.26 -1.28 105.19 113.74 3kjk n GLY 7 Ca -0.20 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3kjk n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kjk s THR 8 N -3.38 4.02 0.43 2.61 2.01 -1.26 -1.90 115.64 118.17 3kjk s THR 8 Ca 0.02 1.40 0.07 0.00 0.31 0.00 0.00 61.69 63.49 3kjk s THR 8 Cb -0.00 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 3kjk s THR 8 CO 0.74 0.04 0.23 0.42 -0.69 0.00 0.00 174.62 175.35 3kjk s THR 9 N 1.85 2.25 0.47 -0.82 -4.23 0.13 -4.97 115.64 110.33 3kjk s THR 9 Ca 0.59 -1.63 0.31 0.00 -1.18 0.00 0.00 61.69 59.78 3kjk s THR 9 Cb -0.28 -2.88 0.31 0.00 1.34 0.00 0.00 72.50 70.99 3kjk s THR 9 CO 0.26 0.00 1.94 -0.65 -0.54 0.00 0.00 174.62 175.63 3kjk h PRO 10 N 1.29 0.00 0.00 3.99 0.11 -2.05 -3.22 132.00 132.12 3kjk h PRO 10 Ca -0.42 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.52 3kjk h PRO 10 Cb 1.26 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 3kjk h PRO 10 CO 0.67 0.00 -1.64 -2.13 -0.21 0.00 0.00 178.00 174.69 3kjk n ARG 11 N -2.76 1.36 -3.52 1.05 0.63 -1.26 -5.08 116.66 107.08 3kjk n ARG 11 Ca -0.02 0.03 -0.11 0.00 -0.92 0.00 0.00 57.85 56.83 3kjk n ARG 11 Cb 0.23 -1.23 -0.02 0.00 0.45 0.00 0.00 32.46 31.89 3kjk n ARG 11 CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 3kjk s TYR 12 N -2.23 -0.46 -0.12 -0.14 -0.85 -1.22 -5.16 117.35 107.18 3kjk s TYR 12 Ca -0.10 0.20 -0.04 0.00 -0.52 0.00 0.00 57.07 56.60 3kjk s TYR 12 Cb 0.03 0.59 -0.03 0.00 0.38 0.00 0.00 41.96 42.93 3kjk s TYR 12 CO 0.32 -0.93 0.02 -1.12 -1.52 0.00 0.00 175.55 172.32 3kjk s SER 13 N -2.78 5.37 0.31 -0.18 0.01 -1.26 0.21 113.70 115.37 3kjk s SER 13 Ca 0.03 0.12 0.03 0.00 1.31 0.00 0.00 55.95 57.44 3kjk s SER 13 Cb -0.02 -1.69 0.61 0.00 0.21 0.00 0.00 66.02 65.13 3kjk s SER 13 CO -0.09 0.30 1.90 -0.33 0.41 0.00 0.00 173.24 175.43 3kjk h GLU 14 N 5.73 0.91 -3.42 12.44 4.39 -0.47 -3.38 114.58 130.78 3kjk h GLU 14 Ca -0.45 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.03 3kjk h GLU 14 Cb 1.19 -0.20 -0.24 0.00 -0.10 0.00 0.00 28.75 29.40 3kjk h GLU 14 CO 0.60 0.60 -0.51 0.00 -1.16 0.00 0.00 179.01 178.53 3kjk s ALA 15 N -5.85 -0.36 -0.01 3.43 0.00 -0.81 -0.06 121.76 118.10 3kjk s ALA 15 Ca -0.11 0.19 0.04 0.00 0.00 0.00 0.00 51.96 52.08 3kjk s ALA 15 Cb 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 3kjk s ALA 15 CO 0.80 -0.14 -0.13 0.08 0.00 0.00 0.00 175.76 176.37 3kjk s VAL 16 N -0.57 1.00 -0.04 0.00 1.01 -0.41 0.03 120.40 121.43 3kjk s VAL 16 Ca -0.07 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.40 3kjk s VAL 16 Cb -0.04 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.50 3kjk s VAL 16 CO 0.01 0.29 -0.10 -0.83 0.00 0.00 0.00 175.10 174.46 3kjk s GLY 17 N -0.26 0.61 -0.21 4.51 0.00 0.57 -0.63 107.32 111.92 3kjk s GLY 17 Ca 0.04 -0.35 -0.12 0.00 0.00 0.00 0.00 44.72 44.30 3kjk s GLY 17 CO -0.00 -0.01 0.50 0.00 0.00 0.00 0.00 173.10 173.59 3kjk s ALA 18 N 0.36 -1.32 -1.41 3.20 0.00 -0.51 -0.37 121.76 121.71 3kjk s ALA 18 Ca -0.07 1.81 -0.02 0.00 0.00 0.00 0.00 51.96 53.68 3kjk s ALA 18 Cb -0.11 -1.08 0.01 0.00 0.00 0.00 0.00 23.12 21.94 3kjk s ALA 18 CO 0.01 -0.30 0.50 -1.71 0.00 0.00 0.00 175.76 174.27 3kjk n ASN 19 N 4.20 -0.78 0.00 0.00 5.15 -1.26 -1.76 115.26 120.80 3kjk n ASN 19 Ca -0.22 -0.97 0.00 0.00 -0.60 0.00 0.00 54.58 52.79 3kjk n ASN 19 Cb 0.56 -3.22 0.00 0.00 -0.53 0.00 0.00 39.78 36.59 3kjk n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kjk n GLY 20 N -1.87 2.74 3.80 8.20 0.00 -1.26 -4.99 105.19 111.80 3kjk n GLY 20 Ca -0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 3kjk n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kjk s LEU 21 N 0.00 3.90 -0.06 0.99 1.43 -0.72 -1.96 118.68 122.26 3kjk s LEU 21 Ca 0.00 1.94 0.01 0.00 -1.03 0.00 0.00 54.13 55.04 3kjk s LEU 21 Cb 0.00 -4.49 0.02 0.00 0.03 0.00 0.00 46.19 41.75 3kjk s LEU 21 CO 0.00 -0.71 -0.05 -0.63 0.23 0.00 0.00 176.35 175.19 3kjk s ILE 22 N -1.93 0.65 -0.27 -0.59 1.01 0.41 -1.42 121.20 119.06 3kjk s ILE 22 Ca 0.65 -0.14 -0.03 0.00 0.00 0.00 0.00 60.65 61.13 3kjk s ILE 22 Cb -0.17 -0.68 0.02 0.00 0.01 0.00 0.00 42.46 41.64 3kjk s ILE 22 CO 0.21 0.27 -0.01 -0.36 0.00 0.00 0.00 174.94 175.04 3kjk s PHE 23 N 1.19 3.11 0.34 3.97 0.08 0.20 -0.24 117.98 126.62 3kjk s PHE 23 Ca -0.06 -1.41 -0.13 0.00 0.12 0.00 0.00 56.93 55.45 3kjk s PHE 23 Cb -0.14 -2.12 -0.08 0.00 -0.57 0.00 0.00 43.02 40.11 3kjk s PHE 23 CO -0.02 -0.69 0.72 -0.51 -0.10 0.00 0.00 175.22 174.63 3kjk s LEU 24 N 1.37 4.00 0.70 -0.37 1.43 -0.49 -1.29 118.68 124.03 3kjk s LEU 24 Ca 0.00 1.19 -0.13 0.00 -1.03 0.00 0.00 54.13 54.17 3kjk s LEU 24 Cb -0.17 -4.01 0.02 0.00 0.03 0.00 0.00 46.19 42.06 3kjk s LEU 24 CO -0.02 -0.25 1.09 -0.44 0.23 0.00 0.00 176.35 176.96 3kjk s SER 25 N -2.57 4.97 0.08 2.29 0.01 0.91 -4.35 113.70 115.05 3kjk s SER 25 Ca 0.52 1.85 0.00 0.00 1.31 0.00 0.00 55.95 59.64 3kjk s SER 25 Cb -0.10 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.60 3kjk s SER 25 CO 0.22 -1.72 0.00 0.61 0.41 0.00 0.00 173.24 172.76 3kjk n GLY 26 N -1.07 -2.40 3.63 3.44 0.00 -1.26 -4.59 105.19 102.94 3kjk n GLY 26 Ca 0.09 -0.81 -0.03 0.00 0.00 0.00 0.00 46.02 45.27 3kjk n GLY 26 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kjk s VAL 28 N -0.08 0.00 0.18 1.61 -7.23 -1.26 -4.91 120.40 108.71 3kjk s VAL 28 Ca 0.00 0.00 -0.32 0.00 -1.81 0.00 0.00 61.98 59.85 3kjk s VAL 28 Cb 0.00 -1.00 -0.11 0.00 0.56 0.00 0.00 36.38 35.83 3kjk s VAL 28 CO 0.00 0.00 1.66 -2.84 -0.31 0.00 0.00 175.10 173.61 3kjk s PRO 29 N -1.44 4.17 -0.01 4.82 0.02 -1.26 -4.80 135.00 136.49 3kjk s PRO 29 Ca 0.08 2.49 0.17 0.00 0.02 0.00 0.00 61.00 63.76 3kjk s PRO 29 Cb -0.01 -3.17 -0.23 0.00 0.02 0.00 0.00 34.50 31.11 3kjk s PRO 29 CO -0.05 -0.70 0.55 0.39 -0.33 0.00 0.00 177.00 176.86 3kjk n GLU 30 N 4.19 0.93 -3.88 5.54 1.02 -1.26 -5.02 120.64 122.16 3kjk n GLU 30 Ca 0.15 -0.08 -0.09 0.00 -0.02 0.00 0.00 57.16 57.12 3kjk n GLU 30 Cb 0.37 -1.36 -0.08 0.00 -0.02 0.00 0.00 31.44 30.35 3kjk n GLU 30 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3kjk s ASN 31 N -3.34 0.16 0.00 1.62 0.01 -1.26 -5.14 114.94 106.98 3kjk s ASN 31 Ca -0.00 -0.68 0.00 0.00 -0.71 0.00 0.00 52.86 51.47 3kjk s ASN 31 Cb 0.12 0.32 0.00 0.00 0.41 0.00 0.00 41.25 42.10 3kjk s ASN 31 CO 0.72 -0.71 0.00 0.61 -1.51 0.00 0.00 177.10 176.21 3kjk n GLY 32 N -0.02 0.07 0.52 0.66 0.00 -1.26 -4.18 105.19 100.98 3kjk n GLY 32 Ca -0.15 -1.68 -0.06 0.00 0.00 0.00 0.00 46.02 44.12 3kjk n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kjk n GLU 33 N 0.24 0.14 -1.86 1.61 1.02 -1.26 -4.74 120.64 115.79 3kjk n GLU 33 Ca 0.00 0.05 -0.31 0.00 -0.02 0.00 0.00 57.16 56.88 3kjk n GLU 33 Cb 0.00 -0.87 0.02 0.00 -0.02 0.00 0.00 31.44 30.57 3kjk n GLU 33 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3kjk s THR 34 N -2.12 4.38 0.25 2.62 -4.23 -1.26 -4.85 115.64 110.42 3kjk s THR 34 Ca -0.09 0.77 -0.04 0.00 -1.18 0.00 0.00 61.69 61.15 3kjk s THR 34 Cb 0.03 -3.76 0.22 0.00 1.34 0.00 0.00 72.50 70.34 3kjk s THR 34 CO 0.13 -1.01 1.71 0.00 -0.54 0.00 0.00 174.62 174.90 3kjk h ALA 35 N -0.42 1.01 -0.44 3.99 0.00 -1.95 -1.10 119.26 120.36 3kjk h ALA 35 Ca -0.44 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3kjk h ALA 35 Cb 1.21 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 3kjk h ALA 35 CO 0.62 -0.28 0.04 0.00 0.00 0.00 0.00 179.25 179.62 3kjk h ALA 36 N 1.58 0.59 -0.39 0.00 0.00 -1.93 -0.31 119.26 118.80 3kjk h ALA 36 Ca 0.42 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3kjk h ALA 36 Cb 0.68 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3kjk h ALA 36 CO -0.46 0.34 0.12 0.93 0.00 0.00 0.00 179.25 180.18 3kjk h GLU 37 N 0.60 0.60 -0.18 0.00 5.08 -1.84 -2.64 114.58 116.20 3kjk h GLU 37 Ca 0.13 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 3kjk h GLU 37 Cb 0.44 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3kjk h GLU 37 CO 0.02 0.61 -0.55 1.96 -1.00 0.00 0.00 179.01 180.04 3kjk h GLN 38 N 0.48 0.55 -0.42 2.33 4.20 -1.13 -2.54 115.11 118.58 3kjk h GLN 38 Ca 0.12 -0.35 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 3kjk h GLN 38 Cb 0.26 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 3kjk h GLN 38 CO -0.00 0.96 0.20 1.15 -0.67 0.00 0.00 178.83 180.47 3kjk h THR 39 N 0.42 1.18 -0.88 -0.54 2.02 -1.04 0.14 112.91 114.21 3kjk h THR 39 Ca 0.01 -0.51 0.03 0.00 0.77 0.00 0.00 66.41 66.71 3kjk h THR 39 Cb 1.10 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 68.20 3kjk h THR 39 CO 0.10 0.19 0.58 0.00 0.37 0.00 0.00 175.52 176.77 3kjk h ALA 40 N 1.05 1.44 -0.11 6.16 0.00 -1.42 0.17 119.26 126.55 3kjk h ALA 40 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3kjk h ALA 40 Cb 0.12 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3kjk h ALA 40 CO -0.02 0.48 -0.02 0.22 0.00 0.00 0.00 179.25 179.91 3kjk h ASP 41 N 1.11 0.20 -0.58 0.00 3.58 -1.06 -2.20 116.42 117.47 3kjk h ASP 41 Ca 0.35 -0.35 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 3kjk h ASP 41 Cb 0.01 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 3kjk h ASP 41 CO -0.10 0.51 0.26 0.58 -2.88 0.00 0.00 179.24 177.61 3kjk h VAL 42 N -0.11 1.21 -0.12 2.25 2.07 -0.32 -2.02 116.25 119.21 3kjk h VAL 42 Ca 0.03 -0.62 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 3kjk h VAL 42 Cb 0.42 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3kjk h VAL 42 CO 0.01 0.25 -0.21 -0.07 0.02 0.00 0.00 177.57 177.57 3kjk h LEU 43 N 0.79 0.20 -0.73 2.57 3.38 -0.71 -1.58 115.31 119.22 3kjk h LEU 43 Ca 0.20 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 3kjk h LEU 43 Cb 0.14 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3kjk h LEU 43 CO -0.02 0.42 -0.23 0.00 0.09 0.00 0.00 178.44 178.71 3kjk h ALA 44 N 1.60 0.91 -0.51 1.53 0.00 -0.88 -1.69 119.26 120.22 3kjk h ALA 44 Ca 0.03 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 3kjk h ALA 44 Cb 0.49 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3kjk h ALA 44 CO 0.03 0.62 -0.14 1.96 0.00 0.00 0.00 179.25 181.72 3kjk h GLN 45 N 0.64 0.99 -0.53 0.00 4.20 -0.96 -2.44 115.11 117.01 3kjk h GLN 45 Ca 0.09 -0.38 -0.00 0.00 0.06 0.00 0.00 58.65 58.42 3kjk h GLN 45 Cb 0.72 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 3kjk h GLN 45 CO 0.06 1.06 0.33 0.82 -0.67 0.00 0.00 178.83 180.42 3kjk h ILE 46 N 0.87 1.15 -0.66 2.54 2.04 -1.09 -1.53 117.51 120.84 3kjk h ILE 46 Ca 0.13 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.70 3kjk h ILE 46 Cb 0.70 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 3kjk h ILE 46 CO 0.05 0.16 0.39 0.44 0.00 0.00 0.00 178.15 179.19 3kjk h ASP 47 N 0.71 0.61 -0.01 1.72 3.32 -1.16 -0.68 116.42 120.92 3kjk h ASP 47 Ca 0.19 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 3kjk h ASP 47 Cb -0.03 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 3kjk h ASP 47 CO -0.04 0.41 0.01 0.03 -1.72 0.00 0.00 179.24 177.93 3kjk h ARG 48 N 0.75 0.02 -0.45 3.56 3.08 -0.96 -2.12 114.38 118.25 3kjk h ARG 48 Ca 0.28 -0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.20 3kjk h ARG 48 Cb 0.09 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3kjk h ARG 48 CO -0.14 0.17 -0.20 -1.49 -1.07 0.00 0.00 179.97 177.24 3kjk h TRP 49 N -0.13 1.02 -0.76 3.04 4.06 -1.13 -1.99 115.95 120.06 3kjk h TRP 49 Ca 0.00 -0.23 0.01 0.00 2.06 0.00 0.00 58.89 60.74 3kjk h TRP 49 Cb 0.15 -0.24 -0.04 0.00 -1.00 0.00 0.00 29.16 28.03 3kjk h TRP 49 CO -0.02 1.01 0.50 -0.07 -3.56 0.00 0.00 178.44 176.29 3kjk h LEU 50 N 0.78 0.85 -1.04 -4.49 3.38 -1.12 -1.51 115.31 112.15 3kjk h LEU 50 Ca 0.11 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3kjk h LEU 50 Cb 0.74 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3kjk h LEU 50 CO 0.06 0.61 0.22 0.00 0.09 0.00 0.00 178.44 179.41 3kjk h ALA 51 N 1.29 1.24 -0.05 1.53 0.00 -1.14 0.40 119.26 122.53 3kjk h ALA 51 Ca 0.29 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3kjk h ALA 51 Cb -0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3kjk h ALA 51 CO -0.07 0.55 -0.35 0.93 0.00 0.00 0.00 179.25 180.30 3kjk h GLU 52 N 0.88 0.10 -0.08 0.00 4.39 -0.79 -2.85 114.58 116.22 3kjk h GLU 52 Ca 0.20 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.87 3kjk h GLU 52 Cb 0.21 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3kjk h GLU 52 CO -0.01 0.44 0.00 0.00 -1.16 0.00 0.00 179.01 178.28 3kjk n GLY 54 N 1.05 0.23 2.04 0.00 0.00 -0.99 -4.85 105.19 102.67 3kjk n GLY 54 Ca 0.17 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 3kjk n GLY 54 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kjk n SER 55 N 1.03 1.33 -3.24 1.61 2.88 0.14 -2.43 113.62 114.93 3kjk n SER 55 Ca -0.05 -2.31 -0.10 0.00 -1.33 0.00 0.00 58.87 55.08 3kjk n SER 55 Cb 0.54 0.57 -0.01 0.00 -0.75 0.00 0.00 64.21 64.56 3kjk n SER 55 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 3kjk s ASP 56 N -2.53 0.20 0.58 -3.46 1.47 -1.26 -3.10 116.67 108.57 3kjk s ASP 56 Ca 0.11 -1.14 0.38 0.00 1.18 0.00 0.00 52.55 53.08 3kjk s ASP 56 Cb 0.01 0.76 1.98 0.00 -0.34 0.00 0.00 42.92 45.33 3kjk s ASP 56 CO 0.08 -1.49 2.17 0.07 0.68 0.00 0.00 175.17 176.68 3kjk h LYS 57 N 2.06 0.00 -0.02 2.11 2.10 -1.93 -0.64 116.57 120.24 3kjk h LYS 57 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 3kjk h LYS 57 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3kjk h LYS 57 CO 0.37 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.82 3kjk n ALA 58 N -2.03 2.61 -1.51 0.07 0.00 -1.26 -3.49 120.51 114.90 3kjk n ALA 58 Ca -0.02 -0.36 0.07 0.00 0.00 0.00 0.00 53.44 53.13 3kjk n ALA 58 Cb 0.12 -1.28 0.13 0.00 0.00 0.00 0.00 19.45 18.41 3kjk n ALA 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kjk n HIS 59 N -0.25 0.00 -2.82 0.00 8.25 -0.25 -4.96 115.22 115.19 3kjk n HIS 59 Ca 0.20 -0.96 -0.41 0.00 -0.26 0.00 0.00 57.72 56.29 3kjk n HIS 59 Cb 0.26 -0.17 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 3kjk n HIS 59 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kjk s VAL 60 N -2.28 4.89 -0.10 1.59 1.01 -1.23 -1.59 120.40 122.70 3kjk s VAL 60 Ca 0.29 1.82 -0.03 0.00 0.00 0.00 0.00 61.98 64.07 3kjk s VAL 60 Cb 0.28 -4.22 -0.26 0.00 0.00 0.00 0.00 36.38 32.19 3kjk s VAL 60 CO -0.03 0.11 0.45 0.18 0.00 0.00 0.00 175.10 175.82 3kjk n LEU 61 N 4.43 2.24 -3.75 3.92 4.77 0.60 -4.29 117.00 124.93 3kjk n LEU 61 Ca 0.05 0.26 -0.13 0.00 -0.03 0.00 0.00 56.01 56.16 3kjk n LEU 61 Cb 0.50 -0.84 -0.11 0.00 -2.33 0.00 0.00 43.42 40.65 3kjk n LEU 61 CO 0.50 0.75 0.03 -0.62 -1.33 0.00 0.00 177.39 176.72 3kjk s ASP 62 N -6.84 -0.37 -0.07 -1.43 2.15 -0.68 -1.69 116.67 107.73 3kjk s ASP 62 Ca -0.18 0.72 -0.03 0.00 0.43 0.00 0.00 52.55 53.49 3kjk s ASP 62 Cb 0.07 0.73 0.04 0.00 -0.30 0.00 0.00 42.92 43.46 3kjk s ASP 62 CO 0.79 -0.12 0.14 0.00 -0.17 0.00 0.00 175.17 175.80 3kjk s ALA 63 N 0.20 -0.09 -0.24 3.66 0.00 -0.14 -0.59 121.76 124.55 3kjk s ALA 63 Ca -0.00 0.50 -0.09 0.00 0.00 0.00 0.00 51.96 52.36 3kjk s ALA 63 Cb -0.03 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 3kjk s ALA 63 CO 0.00 -0.51 0.13 0.08 0.00 0.00 0.00 175.76 175.47 3kjk s VAL 64 N 2.16 5.03 -0.27 0.00 1.01 -0.04 -2.01 120.40 126.26 3kjk s VAL 64 Ca 0.02 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 3kjk s VAL 64 Cb -0.12 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.92 3kjk s VAL 64 CO -0.05 0.34 0.04 -0.63 0.00 0.00 0.00 175.10 174.79 3kjk s ILE 65 N 1.26 3.69 -0.23 2.22 1.01 0.73 -0.89 121.20 128.99 3kjk s ILE 65 Ca 0.06 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 59.90 3kjk s ILE 65 Cb -0.14 -2.86 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 3kjk s ILE 65 CO 0.05 0.16 0.19 -0.31 0.00 0.00 0.00 174.94 175.04 3kjk s TYR 66 N 1.47 3.32 -0.10 3.97 2.02 0.53 -1.59 117.35 126.97 3kjk s TYR 66 Ca 0.03 0.28 0.01 0.00 -0.37 0.00 0.00 57.07 57.01 3kjk s TYR 66 Cb -0.17 -2.31 -0.02 0.00 -0.40 0.00 0.00 41.96 39.07 3kjk s TYR 66 CO 0.00 0.05 -0.11 -0.51 -1.57 0.00 0.00 175.55 173.41 3kjk s LEU 67 N 1.10 2.85 0.20 -1.29 1.43 -0.59 -0.80 118.68 121.58 3kjk s LEU 67 Ca 0.09 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 3kjk s LEU 67 Cb -0.14 -1.62 0.18 0.00 0.03 0.00 0.00 46.19 44.64 3kjk s LEU 67 CO 0.05 0.25 1.82 -0.09 0.23 0.00 0.00 176.35 178.61 3kjk h ARG 68 N 6.04 0.66 0.00 1.70 2.43 -1.39 0.93 114.38 124.75 3kjk h ARG 68 Ca -0.36 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 3kjk h ARG 68 Cb 1.18 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3kjk h ARG 68 CO 0.54 0.44 0.00 -3.47 -1.51 0.00 0.00 179.97 175.97 3kjk n ASP 69 N -4.78 0.77 0.00 -3.80 4.64 -1.26 -4.57 116.55 107.56 3kjk n ASP 69 Ca 0.07 -0.51 0.00 0.00 -1.38 0.00 0.00 54.79 52.97 3kjk n ASP 69 Cb 0.13 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.21 3kjk n ASP 69 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kjk n GLY 71 N 1.92 0.00 0.47 0.27 0.00 -1.26 -4.40 105.19 102.20 3kjk n GLY 71 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3kjk n GLY 71 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kjk n ASP 72 N 0.00 1.44 0.00 1.61 8.00 -1.26 -4.60 116.55 121.74 3kjk n ASP 72 Ca 0.00 -1.59 -0.13 0.00 0.71 0.00 0.00 54.79 53.77 3kjk n ASP 72 Cb 0.00 -0.06 -0.09 0.00 -0.02 0.00 0.00 41.12 40.95 3kjk n ASP 72 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3kjk h TYR 73 N 2.04 -1.41 -0.86 1.24 3.20 -2.01 -2.22 116.97 116.95 3kjk h TYR 73 Ca 0.00 0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.96 3kjk h TYR 73 Cb 0.44 0.63 -0.05 0.00 1.54 0.00 0.00 36.73 39.29 3kjk h TYR 73 CO 0.06 -0.48 0.56 0.00 -1.64 0.00 0.00 178.16 176.66 3kjk h ALA 74 N -0.47 1.49 0.00 1.82 0.00 -1.99 0.32 119.26 120.42 3kjk h ALA 74 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kjk h ALA 74 Cb 0.60 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kjk h ALA 74 CO -0.37 0.42 0.00 -1.91 0.00 0.00 0.00 179.25 177.39 3kjk n GLU 75 N -4.45 0.31 0.00 0.00 2.13 -0.84 -1.92 120.64 115.88 3kjk n GLU 75 Ca 0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.94 3kjk n GLU 75 Cb 0.13 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 30.70 3kjk n GLU 75 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3kjk n ASN 77 N 0.24 0.00 -0.17 4.31 3.02 0.10 -3.56 115.26 119.19 3kjk n ASN 77 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.51 3kjk n ASN 77 Cb 0.07 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.29 3kjk n ASN 77 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3kjk h GLY 78 N 0.00 0.72 0.81 7.41 0.00 -1.64 0.25 103.07 110.61 3kjk h GLY 78 Ca 0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 3kjk h GLY 78 CO 0.00 0.11 -0.38 -2.08 0.00 0.00 0.00 176.54 174.19 3kjk h VAL 79 N 0.50 1.38 0.03 4.60 2.07 -1.86 -3.11 116.25 119.86 3kjk h VAL 79 Ca 0.23 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.04 3kjk h VAL 79 Cb 0.14 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 3kjk h VAL 79 CO -0.16 0.51 -0.01 -0.25 0.02 0.00 0.00 177.57 177.67 3kjk h TRP 80 N 0.04 -0.04 -0.86 1.57 2.91 -1.82 -2.26 115.95 115.50 3kjk h TRP 80 Ca -0.02 -0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.11 3kjk h TRP 80 Cb 1.01 0.01 -0.06 0.00 -0.51 0.00 0.00 29.16 29.61 3kjk h TRP 80 CO 0.11 0.02 0.56 -0.44 -1.03 0.00 0.00 178.44 177.66 3kjk h ASP 81 N -0.08 0.72 1.59 2.65 3.32 -0.61 -0.85 116.42 123.15 3kjk h ASP 81 Ca -0.00 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 3kjk h ASP 81 Cb 0.07 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3kjk h ASP 81 CO 0.01 0.41 -0.21 0.00 -1.72 0.00 0.00 179.24 177.73 3kjk h ALA 82 N 1.58 0.89 0.13 3.45 0.00 -1.45 -3.34 119.26 120.51 3kjk h ALA 82 Ca 0.41 -0.19 -0.34 0.00 0.00 0.00 0.00 54.91 54.78 3kjk h ALA 82 Cb 0.50 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3kjk h ALA 82 CO -0.17 0.26 -1.83 2.35 0.00 0.00 0.00 179.25 179.86 3kjk h TRP 83 N 0.00 0.49 -3.72 0.00 7.01 -0.68 -3.48 115.95 115.56 3kjk h TRP 83 Ca -0.00 -0.35 -0.57 0.00 2.11 0.00 0.00 58.89 60.08 3kjk h TRP 83 Cb 1.06 -0.02 0.16 0.00 -2.10 0.00 0.00 29.16 28.26 3kjk h TRP 83 CO 0.00 1.72 0.20 1.33 -2.79 0.00 0.00 178.44 178.90 3kjk n VAL 84 N -3.63 3.96 -2.53 2.65 0.24 -0.43 -4.91 118.33 113.68 3kjk n VAL 84 Ca -0.30 -0.49 -0.43 0.00 -2.04 0.00 0.00 64.34 61.08 3kjk n VAL 84 Cb 1.01 -1.21 -0.02 0.00 -1.47 0.00 0.00 33.84 32.15 3kjk n VAL 84 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kjk s ALA 85 N -1.52 3.34 0.32 2.33 0.00 -1.26 -4.99 121.76 119.98 3kjk s ALA 85 Ca 0.78 -0.09 -0.29 0.00 0.00 0.00 0.00 51.96 52.36 3kjk s ALA 85 Cb -0.40 -3.78 -0.13 0.00 0.00 0.00 0.00 23.12 18.82 3kjk s ALA 85 CO 0.45 -1.82 1.33 0.00 0.00 0.00 0.00 175.76 175.72 3kjk n ALA 86 N 7.50 1.30 -0.18 0.00 0.00 -1.26 -1.23 120.51 126.64 3kjk n ALA 86 Ca 0.13 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3kjk n ALA 86 Cb 0.47 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.66 3kjk n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kjk n GLY 87 N 1.15 2.12 2.66 0.00 0.00 -1.26 -4.77 105.19 105.10 3kjk n GLY 87 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 3kjk n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kjk n ARG 88 N -2.00 2.08 -2.68 1.61 1.74 -0.36 -5.09 116.66 111.96 3kjk n ARG 88 Ca 0.00 -3.64 -0.41 0.00 -0.77 0.00 0.00 57.85 53.04 3kjk n ARG 88 Cb 0.00 -1.72 -0.05 0.00 -1.02 0.00 0.00 32.46 29.67 3kjk n ARG 88 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3kjk s THR 89 N -3.95 4.20 0.86 0.55 -4.23 -1.11 -4.58 115.64 107.39 3kjk s THR 89 Ca 0.32 1.95 -0.13 0.00 -1.18 0.00 0.00 61.69 62.65 3kjk s THR 89 Cb 0.35 -4.25 0.12 0.00 1.34 0.00 0.00 72.50 70.06 3kjk s THR 89 CO -0.02 0.36 1.22 -2.16 -0.54 0.00 0.00 174.62 173.48 3kjk s PRO 90 N -0.46 1.52 0.35 3.99 0.04 -1.26 -5.03 135.00 134.16 3kjk s PRO 90 Ca 0.46 -0.08 -0.28 0.00 0.04 0.00 0.00 61.00 61.14 3kjk s PRO 90 Cb -0.26 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.26 3kjk s PRO 90 CO 0.32 -1.86 1.36 0.00 0.04 0.00 0.00 177.00 176.86 3kjk s ALA 91 N -3.67 3.51 0.02 8.56 0.00 -0.68 -4.91 121.76 124.59 3kjk s ALA 91 Ca 0.66 1.36 0.01 0.00 0.00 0.00 0.00 51.96 53.99 3kjk s ALA 91 Cb -0.09 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 3kjk s ALA 91 CO 0.50 -0.78 -0.04 0.50 0.00 0.00 0.00 175.76 175.94 3kjk s ARG 92 N -1.91 0.31 -0.03 0.00 3.52 -1.26 -0.96 118.95 118.61 3kjk s ARG 92 Ca 0.50 -0.49 -0.03 0.00 -0.13 0.00 0.00 55.73 55.58 3kjk s ARG 92 Cb -0.42 -0.04 0.01 0.00 -1.56 0.00 0.00 34.95 32.94 3kjk s ARG 92 CO 0.56 -0.01 0.09 0.00 -0.81 0.00 0.00 175.30 175.14 3kjk s ALA 93 N -1.06 -0.23 -0.15 6.12 0.00 -0.85 -5.00 121.76 120.58 3kjk s ALA 93 Ca -0.10 0.22 -0.01 0.00 0.00 0.00 0.00 51.96 52.07 3kjk s ALA 93 Cb -0.07 -0.13 0.04 0.00 0.00 0.00 0.00 23.12 22.95 3kjk s ALA 93 CO -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 175.76 175.67 3kjk s VAL 95 N 1.73 1.49 -0.33 0.00 -7.23 -0.62 -4.99 120.40 110.45 3kjk s VAL 95 Ca 0.01 -2.15 -0.18 0.00 -1.81 0.00 0.00 61.98 57.85 3kjk s VAL 95 Cb -0.15 -1.98 -0.01 0.00 0.56 0.00 0.00 36.38 34.80 3kjk s VAL 95 CO -0.07 -0.65 0.54 -0.70 -0.31 0.00 0.00 175.10 173.91 3kjk s GLU 96 N -3.69 3.76 -0.12 4.82 2.12 -1.26 -1.54 118.70 122.78 3kjk s GLU 96 Ca 0.20 0.02 -0.07 0.00 0.36 0.00 0.00 54.97 55.48 3kjk s GLU 96 Cb 0.01 -3.76 0.04 0.00 0.26 0.00 0.00 34.13 30.68 3kjk s GLU 96 CO 0.04 -0.58 0.29 0.00 -0.54 0.00 0.00 175.26 174.47 3kjk s ALA 97 N 2.43 -0.69 0.56 6.30 0.00 0.32 -4.91 121.76 125.77 3kjk s ALA 97 Ca 0.20 1.06 -0.19 0.00 0.00 0.00 0.00 51.96 53.03 3kjk s ALA 97 Cb -0.15 -0.65 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 3kjk s ALA 97 CO 0.12 -0.20 1.16 1.03 0.00 0.00 0.00 175.76 177.88 3kjk s ARG 98 N 1.01 3.21 0.50 0.00 0.52 -1.26 -3.41 118.95 119.51 3kjk s ARG 98 Ca -0.07 1.70 0.06 0.00 -0.52 0.00 0.00 55.73 56.90 3kjk s ARG 98 Cb -0.08 -1.98 0.01 0.00 0.52 0.00 0.00 34.95 33.42 3kjk s ARG 98 CO -0.07 -0.99 0.31 -0.51 0.02 0.00 0.00 175.30 174.06 3kjk s LEU 99 N -3.89 2.83 0.60 2.53 1.43 -1.26 -4.99 118.68 115.92 3kjk s LEU 99 Ca 0.75 -1.19 0.32 0.00 -1.03 0.00 0.00 54.13 52.97 3kjk s LEU 99 Cb -0.27 -1.30 1.91 0.00 0.03 0.00 0.00 46.19 46.56 3kjk s LEU 99 CO 0.29 -0.91 2.27 0.00 0.23 0.00 0.00 176.35 178.24 3kjk h ALA 100 N 0.99 1.45 -3.92 4.21 0.00 -1.96 -3.40 119.26 116.62 3kjk h ALA 100 Ca -0.39 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.94 3kjk h ALA 100 Cb 1.29 -0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.84 3kjk h ALA 100 CO 0.62 0.00 -0.84 1.03 0.00 0.00 0.00 179.25 180.06 3kjk s ARG 101 N -4.55 1.29 0.32 0.00 0.52 -1.26 -5.05 118.95 110.22 3kjk s ARG 101 Ca -0.05 -1.02 0.05 0.00 -0.52 0.00 0.00 55.73 54.19 3kjk s ARG 101 Cb 0.15 -1.47 0.68 0.00 0.52 0.00 0.00 34.95 34.83 3kjk s ARG 101 CO 0.53 0.36 1.87 -1.35 0.02 0.00 0.00 175.30 176.73 3kjk h PRO 102 N 4.58 0.83 0.00 3.54 0.11 -2.03 -2.67 132.00 136.35 3kjk h PRO 102 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kjk h PRO 102 Cb 1.17 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3kjk h PRO 102 CO 0.42 0.55 0.00 0.93 -0.21 0.00 0.00 178.00 179.69 3kjk h GLU 103 N 0.85 0.00 -6.24 1.05 3.07 -1.96 -3.44 114.58 107.91 3kjk h GLU 103 Ca 0.45 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.74 3kjk h GLU 103 Cb 0.55 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.41 3kjk h GLU 103 CO -0.22 0.00 0.91 -1.58 -1.40 0.00 0.00 179.01 176.72 3kjk s TRP 104 N -3.41 2.89 -0.77 4.33 0.51 -1.01 -4.89 118.94 116.58 3kjk s TRP 104 Ca 0.04 1.04 0.22 0.00 -2.12 0.00 0.00 56.10 55.28 3kjk s TRP 104 Cb 0.09 -3.65 -0.15 0.00 -0.81 0.00 0.00 33.47 28.94 3kjk s TRP 104 CO 0.52 -1.43 0.88 0.54 -0.51 0.00 0.00 176.95 176.96 3kjk n ARG 105 N 6.88 0.16 -3.73 4.98 1.74 -1.26 -4.59 116.66 120.84 3kjk n ARG 105 Ca 0.14 -0.04 -0.13 0.00 -0.77 0.00 0.00 57.85 57.05 3kjk n ARG 105 Cb 0.46 -1.52 -0.10 0.00 -1.02 0.00 0.00 32.46 30.28 3kjk n ARG 105 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kjk s VAL 106 N -3.12 -0.00 -0.03 1.55 0.11 -1.26 -1.89 120.40 115.76 3kjk s VAL 106 Ca 0.05 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.11 3kjk s VAL 106 Cb 0.16 -0.58 0.02 0.00 -1.53 0.00 0.00 36.38 34.45 3kjk s VAL 106 CO 0.85 0.00 -0.01 -0.70 -3.33 0.00 0.00 175.10 171.92 3kjk s GLU 107 N 0.24 0.33 -0.18 1.54 2.12 0.02 -4.16 118.70 118.62 3kjk s GLU 107 Ca -0.00 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.37 3kjk s GLU 107 Cb -0.03 -0.48 0.01 0.00 0.26 0.00 0.00 34.13 33.89 3kjk s GLU 107 CO 0.00 -0.11 -0.16 0.42 -0.54 0.00 0.00 175.26 174.87 3kjk s ILE 108 N 0.90 2.45 -0.21 -3.70 1.01 -1.26 -0.35 121.20 120.04 3kjk s ILE 108 Ca -0.09 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.67 3kjk s ILE 108 Cb -0.13 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 3kjk s ILE 108 CO -0.01 0.51 0.06 -0.75 0.00 0.00 0.00 174.94 174.75 3kjk s LYS 109 N 1.16 3.80 -0.03 2.79 2.20 -0.07 -4.48 119.74 125.11 3kjk s LYS 109 Ca 0.01 -0.42 0.05 0.00 -0.36 0.00 0.00 55.97 55.25 3kjk s LYS 109 Cb -0.14 -3.24 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 3kjk s LYS 109 CO -0.07 0.05 -0.17 0.42 -0.36 0.00 0.00 175.35 175.23 3kjk s ILE 110 N 0.96 2.84 -0.13 5.43 -1.09 -1.26 -0.86 121.20 127.08 3kjk s ILE 110 Ca 0.03 -0.88 0.01 0.00 -2.23 0.00 0.00 60.65 57.59 3kjk s ILE 110 Cb -0.14 -2.11 0.02 0.00 -1.58 0.00 0.00 42.46 38.65 3kjk s ILE 110 CO 0.03 0.54 -0.15 -0.89 -1.23 0.00 0.00 174.94 173.23 3kjk s THR 111 N -0.75 1.59 0.44 2.92 2.01 0.24 -1.40 115.64 120.70 3kjk s THR 111 Ca 0.12 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.48 3kjk s THR 111 Cb -0.10 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.93 3kjk s THR 111 CO 0.01 0.46 0.12 0.00 -0.69 0.00 0.00 174.62 174.53 3kjk s ALA 112 N 1.20 3.24 0.13 7.40 0.00 0.66 -0.29 121.76 134.09 3kjk s ALA 112 Ca -0.01 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.05 3kjk s ALA 112 Cb -0.14 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 3kjk s ALA 112 CO -0.06 -0.29 -0.12 0.54 0.00 0.00 0.00 175.76 175.83 3kjk s VAL 113 N -3.12 1.19 0.43 0.00 0.11 -0.62 -0.45 120.40 117.95 3kjk s VAL 113 Ca 0.18 -1.81 -0.18 0.00 -2.93 0.00 0.00 61.98 57.24 3kjk s VAL 113 Cb 0.01 -1.59 -0.10 0.00 -1.53 0.00 0.00 36.38 33.18 3kjk s VAL 113 CO 0.13 -0.56 0.92 -0.54 -3.33 0.00 0.00 175.10 171.72 3kjk s LYS 114 N -3.04 4.10 0.23 1.54 1.02 -0.83 -4.64 119.74 118.13 3kjk s LYS 114 Ca 0.11 0.98 -0.30 0.00 0.02 0.00 0.00 55.97 56.78 3kjk s LYS 114 Cb -0.02 -2.22 -0.09 0.00 -0.52 0.00 0.00 37.83 34.98 3kjk s LYS 114 CO 0.02 -0.06 1.11 1.03 -0.92 0.00 0.00 175.35 176.53 3kjk s ARG 115 N -3.40 4.61 0.00 1.68 0.52 -1.02 -5.01 118.95 116.32 3kjk s ARG 115 Ca 0.59 1.78 0.24 0.00 -0.52 0.00 0.00 55.73 57.83 3kjk s ARG 115 Cb -0.09 -3.23 1.46 0.00 0.52 0.00 0.00 34.95 33.61 3kjk s ARG 115 CO 0.19 0.13 1.82 -0.25 0.02 0.00 0.00 175.30 177.21