#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 4.96 -0.07 0.53 1.01 -1.26 -3.72 121.20 122.65 3kjk s ILE 3 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.71 3kjk s ILE 3 Cb 0.00 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.26 3kjk s ILE 3 CO 0.00 0.52 -0.19 -0.13 0.00 0.00 0.00 174.94 175.15 3kjk s ARG 4 N -0.21 2.73 -0.14 2.79 0.52 -0.39 -4.99 118.95 119.26 3kjk s ARG 4 Ca 0.08 -0.78 -0.02 0.00 -0.52 0.00 0.00 55.73 54.49 3kjk s ARG 4 Cb -0.12 -2.34 -0.02 0.00 0.52 0.00 0.00 34.95 32.99 3kjk s ARG 4 CO 0.01 0.42 -0.09 0.71 0.02 0.00 0.00 175.30 176.37 3kjk s TYR 5 N -0.23 2.90 -0.07 -0.53 2.02 -1.26 -0.88 117.35 119.30 3kjk s TYR 5 Ca -0.00 -0.51 0.05 0.00 -0.37 0.00 0.00 57.07 56.24 3kjk s TYR 5 Cb -0.13 -1.90 -0.01 0.00 -0.40 0.00 0.00 41.96 39.52 3kjk s TYR 5 CO 0.03 -0.14 -0.23 -0.06 -1.57 0.00 0.00 175.55 173.58 3kjk s PHE 6 N 0.37 2.53 -1.14 2.71 0.08 -0.34 -4.75 117.98 117.45 3kjk s PHE 6 Ca -0.08 -0.75 -0.05 0.00 0.12 0.00 0.00 56.93 56.18 3kjk s PHE 6 Cb -0.15 -1.65 0.01 0.00 -0.57 0.00 0.00 43.02 40.65 3kjk s PHE 6 CO 0.04 -0.23 0.98 0.41 -0.10 0.00 0.00 175.22 176.32 3kjk n GLY 7 N 3.10 -0.32 3.69 4.36 0.00 -1.26 -1.34 105.19 113.41 3kjk n GLY 7 Ca -0.18 0.10 -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 -3.30 3.89 0.46 2.61 2.01 -1.26 -3.00 115.64 117.05 3kjk s THR 8 Ca 0.30 1.25 0.05 0.00 0.31 0.00 0.00 61.69 63.60 3kjk s THR 8 Cb -0.13 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 3kjk s THR 8 CO 0.64 -0.00 0.13 0.42 -0.69 0.00 0.00 174.62 175.12 3kjk s THR 9 N 2.37 1.85 0.01 -0.82 -4.23 0.25 -4.99 115.64 110.08 3kjk s THR 9 Ca 0.61 -1.81 0.29 0.00 -1.18 0.00 0.00 61.69 59.60 3kjk s THR 9 Cb -0.29 -2.67 0.30 0.00 1.34 0.00 0.00 72.50 71.18 3kjk s THR 9 CO 0.25 0.00 1.89 -0.65 -0.54 0.00 0.00 174.62 175.56 3kjk h PRO 10 N 1.39 0.00 0.00 3.99 0.11 -2.05 -3.23 132.00 132.21 3kjk h PRO 10 Ca -0.43 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.37 3kjk h PRO 10 Cb 1.27 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.33 3kjk h PRO 10 CO 0.72 0.00 -2.18 -2.13 -0.21 0.00 0.00 178.00 174.20 3kjk n ARG 11 N -2.54 0.84 -3.60 1.05 0.63 -1.26 -5.08 116.66 106.70 3kjk n ARG 11 Ca -0.01 0.07 -0.08 0.00 -0.92 0.00 0.00 57.85 56.91 3kjk n ARG 11 Cb 0.10 -1.42 -0.02 0.00 0.45 0.00 0.00 32.46 31.56 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 -2.41 -0.31 -0.05 -0.14 -0.85 -1.22 -5.16 117.35 107.21 3kjk s TYR 12 Ca -0.20 0.07 0.01 0.00 -0.52 0.00 0.00 57.07 56.42 3kjk s TYR 12 Cb 0.06 0.59 -0.03 0.00 0.38 0.00 0.00 41.96 42.96 3kjk s TYR 12 CO 0.56 -0.77 -0.03 -1.12 -1.52 0.00 0.00 175.55 172.67 3kjk s SER 13 N -2.72 4.93 0.28 -0.18 0.01 -1.26 -0.58 113.70 114.18 3kjk s SER 13 Ca 0.07 0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.36 3kjk s SER 13 Cb -0.02 -1.29 0.41 0.00 0.21 0.00 0.00 66.02 65.34 3kjk s SER 13 CO -0.05 0.34 1.73 -0.33 0.41 0.00 0.00 173.24 175.34 3kjk h GLU 14 N 4.89 0.51 -4.04 12.44 4.39 -1.11 -3.39 114.58 128.28 3kjk h GLU 14 Ca -0.49 -0.18 -0.18 0.00 0.34 0.00 0.00 59.36 58.84 3kjk h GLU 14 Cb 1.18 -0.03 -0.21 0.00 -0.10 0.00 0.00 28.75 29.58 3kjk h GLU 14 CO 0.54 0.70 -0.70 0.00 -1.16 0.00 0.00 179.01 178.39 3kjk s ALA 15 N -4.55 0.17 -0.04 3.43 0.00 -1.00 -0.15 121.76 119.61 3kjk s ALA 15 Ca -0.07 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 3kjk s ALA 15 Cb 0.14 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.42 3kjk s ALA 15 CO 0.79 -0.14 0.02 0.08 0.00 0.00 0.00 175.76 176.51 3kjk s VAL 16 N -1.40 0.15 -0.01 0.00 1.01 0.50 -1.19 120.40 119.46 3kjk s VAL 16 Ca -0.15 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 3kjk s VAL 16 Cb -0.10 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 3kjk s VAL 16 CO -0.01 0.18 0.10 -0.83 0.00 0.00 0.00 175.10 174.54 3kjk s GLY 17 N 1.55 2.04 -0.24 4.51 0.00 -0.06 0.11 107.32 115.24 3kjk s GLY 17 Ca -0.02 -0.85 -0.07 0.00 0.00 0.00 0.00 44.72 43.78 3kjk s GLY 17 CO -0.03 -0.73 0.49 0.00 0.00 0.00 0.00 173.10 172.83 3kjk s ALA 18 N -1.21 -1.47 -1.39 3.20 0.00 -0.01 -1.27 121.76 119.61 3kjk s ALA 18 Ca 0.23 1.69 -0.03 0.00 0.00 0.00 0.00 51.96 53.85 3kjk s ALA 18 Cb -0.12 -1.55 0.02 0.00 0.00 0.00 0.00 23.12 21.47 3kjk s ALA 18 CO 0.14 -0.90 0.64 -1.71 0.00 0.00 0.00 175.76 173.93 3kjk n ASN 19 N 5.41 -1.44 0.00 0.00 5.15 -1.24 -1.26 115.26 121.87 3kjk n ASN 19 Ca -0.08 -0.89 0.00 0.00 -0.60 0.00 0.00 54.58 53.01 3kjk n ASN 19 Cb 0.49 -3.61 0.00 0.00 -0.53 0.00 0.00 39.78 36.14 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 -1.73 3.18 3.80 8.20 0.00 -1.26 -5.03 105.19 112.36 3kjk n GLY 20 Ca -0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 4.27 -0.12 0.99 1.43 -0.39 -1.69 118.68 123.17 3kjk s LEU 21 Ca 0.00 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 3kjk s LEU 21 Cb 0.00 -3.99 0.02 0.00 0.03 0.00 0.00 46.19 42.25 3kjk s LEU 21 CO 0.00 -0.09 -0.10 -0.63 0.23 0.00 0.00 176.35 175.76 3kjk s ILE 22 N -1.69 1.22 -0.25 -0.59 1.01 -0.13 -0.83 121.20 119.94 3kjk s ILE 22 Ca 0.50 -0.42 -0.07 0.00 0.00 0.00 0.00 60.65 60.67 3kjk s ILE 22 Cb -0.16 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 3kjk s ILE 22 CO 0.21 0.40 0.05 -0.36 0.00 0.00 0.00 174.94 175.24 3kjk s PHE 23 N 1.56 3.06 -0.11 3.97 0.08 0.12 -0.49 117.98 126.17 3kjk s PHE 23 Ca 0.03 -0.53 -0.08 0.00 0.12 0.00 0.00 56.93 56.48 3kjk s PHE 23 Cb -0.13 -2.22 -0.04 0.00 -0.57 0.00 0.00 43.02 40.06 3kjk s PHE 23 CO -0.08 -0.40 0.17 -0.51 -0.10 0.00 0.00 175.22 174.29 3kjk s LEU 24 N 1.59 4.40 0.83 -0.37 1.02 -0.37 -0.37 118.68 125.41 3kjk s LEU 24 Ca 0.06 0.51 -0.12 0.00 0.02 0.00 0.00 54.13 54.60 3kjk s LEU 24 Cb -0.15 -2.14 0.09 0.00 0.02 0.00 0.00 46.19 44.02 3kjk s LEU 24 CO 0.02 0.40 1.16 -0.44 0.02 0.00 0.00 176.35 177.51 3kjk s SER 25 N -1.07 3.62 0.83 2.29 0.01 0.78 -4.14 113.70 116.03 3kjk s SER 25 Ca 0.16 2.19 -0.04 0.00 1.31 0.00 0.00 55.95 59.57 3kjk s SER 25 Cb -0.12 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 63.60 3kjk s SER 25 CO 0.05 -2.64 0.14 0.61 0.41 0.00 0.00 173.24 171.81 3kjk n GLY 26 N 0.04 -2.74 0.00 3.44 0.00 -1.26 -4.57 105.19 100.10 3kjk n GLY 26 Ca 0.12 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3kjk n GLY 26 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3kjk n VAL 28 N -3.23 0.00 -1.96 1.61 3.14 -1.26 -4.91 118.33 111.72 3kjk n VAL 28 Ca 0.02 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.99 3kjk n VAL 28 Cb 0.09 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.85 3kjk n VAL 28 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 3kjk s PRO 29 N -2.00 4.23 -0.02 1.45 0.02 -1.26 -4.74 135.00 132.68 3kjk s PRO 29 Ca 0.00 2.37 0.08 0.00 0.02 0.00 0.00 61.00 63.47 3kjk s PRO 29 Cb 0.00 -3.08 -0.12 0.00 0.02 0.00 0.00 34.50 31.32 3kjk s PRO 29 CO 0.00 -0.46 0.15 0.39 -0.33 0.00 0.00 177.00 176.75 3kjk n GLU 30 N 2.14 0.70 -4.07 5.54 1.02 -1.26 -5.04 120.64 119.67 3kjk n GLU 30 Ca 0.06 -0.06 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 3kjk n GLU 30 Cb 0.40 -1.19 -0.10 0.00 -0.02 0.00 0.00 31.44 30.53 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 -3.09 0.44 0.00 1.62 0.01 -1.26 -5.14 114.94 107.52 3kjk s ASN 31 Ca -0.03 -0.91 0.00 0.00 -0.71 0.00 0.00 52.86 51.21 3kjk s ASN 31 Cb 0.05 0.18 0.00 0.00 0.41 0.00 0.00 41.25 41.89 3kjk s ASN 31 CO 0.32 -0.54 0.00 0.61 -1.51 0.00 0.00 177.10 175.98 3kjk n GLY 32 N 0.39 -0.01 0.57 0.66 0.00 -1.26 -4.24 105.19 101.29 3kjk n GLY 32 Ca -0.16 -1.67 -0.01 0.00 0.00 0.00 0.00 46.02 44.18 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 0.19 0.03 -1.58 1.61 1.02 -1.26 -4.75 120.64 115.90 3kjk n GLU 33 Ca 0.00 0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 56.84 3kjk n GLU 33 Cb 0.00 -0.74 0.05 0.00 -0.02 0.00 0.00 31.44 30.73 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 -2.02 3.97 0.25 2.62 -4.23 -1.26 -4.86 115.64 110.10 3kjk s THR 34 Ca -0.02 0.64 -0.04 0.00 -1.18 0.00 0.00 61.69 61.09 3kjk s THR 34 Cb 0.01 -3.39 0.22 0.00 1.34 0.00 0.00 72.50 70.68 3kjk s THR 34 CO 0.03 -0.84 1.82 0.00 -0.54 0.00 0.00 174.62 175.09 3kjk h ALA 35 N -0.74 1.22 -0.60 3.99 0.00 -1.95 -1.80 119.26 119.37 3kjk h ALA 35 Ca -0.44 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3kjk h ALA 35 Cb 1.21 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3kjk h ALA 35 CO 0.57 0.16 0.30 0.00 0.00 0.00 0.00 179.25 180.29 3kjk h ALA 36 N 1.45 0.77 -0.35 0.00 0.00 -1.93 -1.64 119.26 117.55 3kjk h ALA 36 Ca 0.40 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 55.03 3kjk h ALA 36 Cb 0.32 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kjk h ALA 36 CO -0.23 0.32 -0.43 0.93 0.00 0.00 0.00 179.25 179.84 3kjk h GLU 37 N 0.82 0.92 -0.00 0.00 5.08 -1.80 -2.55 114.58 117.05 3kjk h GLU 37 Ca 0.21 -0.51 -0.21 0.00 -1.00 0.00 0.00 59.36 57.84 3kjk h GLU 37 Cb 0.09 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3kjk h GLU 37 CO -0.03 1.16 -0.91 1.96 -1.00 0.00 0.00 179.01 180.20 3kjk h GLN 38 N 0.73 0.32 -0.42 2.33 4.20 -1.34 -2.50 115.11 118.43 3kjk h GLN 38 Ca 0.05 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 3kjk h GLN 38 Cb 1.03 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.88 3kjk h GLN 38 CO 0.10 1.03 0.23 1.15 -0.67 0.00 0.00 178.83 180.68 3kjk h THR 39 N 0.18 1.15 -0.86 -0.54 2.02 -1.27 -0.62 112.91 112.97 3kjk h THR 39 Ca -0.06 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 3kjk h THR 39 Cb 1.54 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 3kjk h THR 39 CO 0.15 0.16 0.52 0.00 0.37 0.00 0.00 175.52 176.72 3kjk h ALA 40 N 1.09 1.29 -0.27 6.16 0.00 -1.40 -0.14 119.26 125.98 3kjk h ALA 40 Ca 0.15 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3kjk h ALA 40 Cb 0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3kjk h ALA 40 CO -0.02 0.61 -0.06 0.22 0.00 0.00 0.00 179.25 179.99 3kjk h ASP 41 N 1.19 0.53 -0.55 0.00 3.58 -1.11 -0.34 116.42 119.71 3kjk h ASP 41 Ca 0.31 -0.36 -0.06 0.00 0.42 0.00 0.00 57.03 57.34 3kjk h ASP 41 Cb -0.05 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 3kjk h ASP 41 CO -0.06 0.77 0.13 0.58 -2.88 0.00 0.00 179.24 177.78 3kjk h VAL 42 N 0.28 1.25 -0.48 2.25 2.07 -0.92 -1.35 116.25 119.35 3kjk h VAL 42 Ca 0.07 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 3kjk h VAL 42 Cb 0.53 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3kjk h VAL 42 CO 0.03 0.33 0.08 -0.07 0.02 0.00 0.00 177.57 177.95 3kjk h LEU 43 N 0.79 0.70 -0.65 2.57 3.38 -0.91 -1.28 115.31 119.91 3kjk h LEU 43 Ca 0.17 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3kjk h LEU 43 Cb 0.35 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3kjk h LEU 43 CO 0.00 0.72 0.10 0.00 0.09 0.00 0.00 178.44 179.36 3kjk h ALA 44 N 1.37 0.86 -0.33 1.53 0.00 -0.74 -1.20 119.26 120.75 3kjk h ALA 44 Ca 0.15 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.83 3kjk h ALA 44 Cb 0.33 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3kjk h ALA 44 CO 0.01 0.63 0.11 1.96 0.00 0.00 0.00 179.25 181.96 3kjk h GLN 45 N 1.00 0.24 -0.32 0.00 4.20 -0.87 -1.61 115.11 117.75 3kjk h GLN 45 Ca 0.20 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.94 3kjk h GLN 45 Cb 0.44 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 3kjk h GLN 45 CO 0.01 0.16 0.07 0.82 -0.67 0.00 0.00 178.83 179.22 3kjk h ILE 46 N 0.25 0.85 -0.90 2.54 2.04 -1.07 0.03 117.51 121.25 3kjk h ILE 46 Ca 0.15 -0.06 0.09 0.00 1.00 0.00 0.00 64.86 66.03 3kjk h ILE 46 Cb 0.12 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 36.79 3kjk h ILE 46 CO -0.15 0.03 0.55 0.44 0.00 0.00 0.00 178.15 179.02 3kjk h ASP 47 N 0.18 0.84 -0.15 1.72 3.32 -0.93 0.11 116.42 121.50 3kjk h ASP 47 Ca 0.15 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 3kjk h ASP 47 Cb 0.16 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3kjk h ASP 47 CO -0.19 0.50 -0.35 0.03 -1.72 0.00 0.00 179.24 177.51 3kjk h ARG 48 N 0.95 0.50 -0.43 3.56 3.08 -0.88 -2.50 114.38 118.66 3kjk h ARG 48 Ca 0.42 -0.34 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 3kjk h ARG 48 Cb 0.31 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 3kjk h ARG 48 CO -0.22 0.95 -0.13 -1.49 -1.07 0.00 0.00 179.97 178.01 3kjk h TRP 49 N 0.12 0.87 -0.78 3.04 4.06 -0.78 -2.16 115.95 120.32 3kjk h TRP 49 Ca -0.00 -0.17 -0.03 0.00 2.06 0.00 0.00 58.89 60.75 3kjk h TRP 49 Cb 0.95 -0.22 -0.04 0.00 -1.00 0.00 0.00 29.16 28.85 3kjk h TRP 49 CO 0.10 0.87 0.37 -0.07 -3.56 0.00 0.00 178.44 176.15 3kjk h LEU 50 N 0.70 1.03 -0.60 -4.49 3.38 -0.82 -2.05 115.31 112.47 3kjk h LEU 50 Ca 0.11 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3kjk h LEU 50 Cb 0.62 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3kjk h LEU 50 CO 0.04 0.88 0.24 0.00 0.09 0.00 0.00 178.44 179.69 3kjk h ALA 51 N 1.19 0.77 -0.84 1.53 0.00 -1.29 0.46 119.26 121.09 3kjk h ALA 51 Ca 0.27 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3kjk h ALA 51 Cb 0.13 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3kjk h ALA 51 CO -0.03 0.39 0.53 0.93 0.00 0.00 0.00 179.25 181.07 3kjk h GLU 52 N 0.83 0.99 -0.05 0.00 4.39 -1.04 -2.61 114.58 117.09 3kjk h GLU 52 Ca 0.20 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3kjk h GLU 52 Cb 0.20 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3kjk h GLU 52 CO -0.02 0.66 0.00 0.00 -1.16 0.00 0.00 179.01 178.49 3kjk n GLY 54 N 1.04 0.95 1.43 0.00 0.00 -0.92 -4.83 105.19 102.86 3kjk n GLY 54 Ca 0.18 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 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 1.25 0.23 -3.47 1.61 2.88 0.16 -2.17 113.62 114.10 3kjk n SER 55 Ca 0.00 -1.96 -0.07 0.00 -1.33 0.00 0.00 58.87 55.51 3kjk n SER 55 Cb 0.32 0.62 -0.00 0.00 -0.75 0.00 0.00 64.21 64.40 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 -2.05 -0.14 0.61 -3.46 1.47 -1.26 -3.13 116.67 108.72 3kjk s ASP 56 Ca 0.14 -0.79 0.38 0.00 1.18 0.00 0.00 52.55 53.45 3kjk s ASP 56 Cb 0.01 0.74 1.96 0.00 -0.34 0.00 0.00 42.92 45.28 3kjk s ASP 56 CO 0.10 -1.41 2.22 0.07 0.68 0.00 0.00 175.17 176.83 3kjk h LYS 57 N 2.00 0.00 -0.01 2.11 2.10 -1.93 0.25 116.57 121.08 3kjk h LYS 57 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 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 0.31 0.02 0.00 0.00 -2.00 0.00 0.00 179.45 177.78 3kjk n ALA 58 N -2.14 2.57 -1.63 0.07 0.00 -1.26 -3.09 120.51 115.03 3kjk n ALA 58 Ca -0.02 -0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.36 3kjk n ALA 58 Cb 0.16 -1.20 0.07 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.64 0.00 -2.85 0.00 8.25 0.07 -4.99 115.22 115.07 3kjk n HIS 59 Ca 0.10 -0.49 -0.40 0.00 -0.26 0.00 0.00 57.72 56.66 3kjk n HIS 59 Cb 0.06 -0.10 -0.05 0.00 1.12 0.00 0.00 29.99 31.02 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 -1.30 4.58 -0.22 1.59 1.01 -1.18 -1.48 120.40 123.40 3kjk s VAL 60 Ca 0.16 1.87 -0.08 0.00 0.00 0.00 0.00 61.98 63.94 3kjk s VAL 60 Cb 0.15 -4.23 -0.18 0.00 0.00 0.00 0.00 36.38 32.12 3kjk s VAL 60 CO 0.00 0.35 -0.05 0.18 0.00 0.00 0.00 175.10 175.58 3kjk n LEU 61 N 2.70 2.47 -3.81 3.92 4.77 0.34 -4.39 117.00 123.01 3kjk n LEU 61 Ca -0.00 0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 56.00 3kjk n LEU 61 Cb 0.49 -0.95 -0.12 0.00 -2.33 0.00 0.00 43.42 40.52 3kjk n LEU 61 CO 0.49 0.73 -0.14 -0.62 -1.33 0.00 0.00 177.39 176.52 3kjk s ASP 62 N -6.94 -0.20 -0.11 -1.43 2.15 -0.77 -0.74 116.67 108.63 3kjk s ASP 62 Ca -0.32 0.37 -0.04 0.00 0.43 0.00 0.00 52.55 52.99 3kjk s ASP 62 Cb 0.09 0.40 0.05 0.00 -0.30 0.00 0.00 42.92 43.17 3kjk s ASP 62 CO 0.61 -0.09 0.16 0.00 -0.17 0.00 0.00 175.17 175.68 3kjk s ALA 63 N 0.01 -0.12 -0.24 3.66 0.00 -0.05 -0.97 121.76 124.05 3kjk s ALA 63 Ca -0.01 0.44 -0.08 0.00 0.00 0.00 0.00 51.96 52.30 3kjk s ALA 63 Cb -0.02 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 3kjk s ALA 63 CO 0.00 -0.71 0.10 0.08 0.00 0.00 0.00 175.76 175.24 3kjk s VAL 64 N 2.28 4.71 -0.22 0.00 1.01 -0.43 -1.80 120.40 125.96 3kjk s VAL 64 Ca 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 3kjk s VAL 64 Cb -0.13 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 3kjk s VAL 64 CO -0.07 0.34 0.00 -0.63 0.00 0.00 0.00 175.10 174.75 3kjk s ILE 65 N 1.34 3.85 -0.24 2.22 1.01 0.93 -0.66 121.20 129.65 3kjk s ILE 65 Ca 0.06 -0.34 -0.07 0.00 0.00 0.00 0.00 60.65 60.30 3kjk s ILE 65 Cb -0.15 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 3kjk s ILE 65 CO 0.05 0.40 0.07 -0.31 0.00 0.00 0.00 174.94 175.15 3kjk s TYR 66 N 1.35 3.09 -0.10 3.97 2.02 0.78 -1.63 117.35 126.83 3kjk s TYR 66 Ca 0.04 -0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 56.32 3kjk s TYR 66 Cb -0.15 -2.23 -0.04 0.00 -0.40 0.00 0.00 41.96 39.15 3kjk s TYR 66 CO 0.01 -0.33 0.04 -0.51 -1.57 0.00 0.00 175.55 173.19 3kjk s LEU 67 N 1.53 3.78 0.30 -1.29 1.43 -0.71 -0.64 118.68 123.08 3kjk s LEU 67 Ca 0.06 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 3kjk s LEU 67 Cb -0.15 -1.89 0.48 0.00 0.03 0.00 0.00 46.19 44.67 3kjk s LEU 67 CO 0.04 0.37 1.81 -0.09 0.23 0.00 0.00 176.35 178.70 3kjk h ARG 68 N 5.24 0.59 0.00 1.70 2.43 -1.32 0.12 114.38 123.14 3kjk h ARG 68 Ca -0.51 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 58.51 3kjk h ARG 68 Cb 1.20 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3kjk h ARG 68 CO 0.56 0.66 0.00 -3.47 -1.51 0.00 0.00 179.97 176.21 3kjk n ASP 69 N -4.22 0.00 0.00 -3.80 4.64 -1.26 -4.53 116.55 107.38 3kjk n ASP 69 Ca 0.01 -0.27 0.00 0.00 -1.38 0.00 0.00 54.79 53.15 3kjk n ASP 69 Cb 0.30 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.38 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 0.00 0.00 0.36 0.27 0.00 -1.26 -4.39 105.19 100.17 3kjk n GLY 71 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 1.08 0.06 1.61 8.00 -1.26 -4.54 116.55 121.50 3kjk n ASP 72 Ca 0.00 -1.76 -0.12 0.00 0.71 0.00 0.00 54.79 53.63 3kjk n ASP 72 Cb 0.00 -0.10 -0.05 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 1.32 -0.85 -0.25 1.24 3.20 -2.01 -2.85 116.97 116.77 3kjk h TYR 73 Ca 0.00 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.78 3kjk h TYR 73 Cb 0.30 0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 3kjk h TYR 73 CO 0.10 -0.40 -0.32 0.00 -1.64 0.00 0.00 178.16 175.90 3kjk h ALA 74 N 0.29 0.98 0.00 1.82 0.00 -1.99 -0.57 119.26 119.78 3kjk h ALA 74 Ca 0.06 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3kjk h ALA 74 Cb 0.55 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kjk h ALA 74 CO -0.26 0.60 0.00 -1.91 0.00 0.00 0.00 179.25 177.68 3kjk n GLU 75 N -4.08 0.37 0.00 0.00 2.13 -1.08 -1.64 120.64 116.34 3kjk n GLU 75 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 3kjk n GLU 75 Cb 0.46 -1.20 0.00 0.00 0.27 0.00 0.00 31.44 30.97 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 0.37 0.00 -0.25 4.31 3.02 -0.22 -3.31 115.26 119.18 3kjk n ASN 77 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.52 3kjk n ASN 77 Cb 0.10 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.35 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 1.00 0.69 7.41 0.00 -1.57 0.24 103.07 110.83 3kjk h GLY 78 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 3kjk h GLY 78 CO 0.00 0.28 -0.39 -2.08 0.00 0.00 0.00 176.54 174.35 3kjk h VAL 79 N 0.85 1.44 -0.46 4.60 2.07 -1.85 -3.22 116.25 119.69 3kjk h VAL 79 Ca 0.28 -1.85 0.06 0.00 0.82 0.00 0.00 66.70 66.01 3kjk h VAL 79 Cb 0.01 2.45 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 3kjk h VAL 79 CO -0.10 0.53 0.15 -0.25 0.02 0.00 0.00 177.57 177.92 3kjk h TRP 80 N -0.17 0.27 -0.97 1.57 2.91 -1.79 -2.51 115.95 115.26 3kjk h TRP 80 Ca -0.04 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.01 3kjk h TRP 80 Cb 1.07 -0.05 -0.05 0.00 -0.51 0.00 0.00 29.16 29.63 3kjk h TRP 80 CO 0.14 0.08 0.62 -0.44 -1.03 0.00 0.00 178.44 177.81 3kjk h ASP 81 N 0.32 1.14 1.11 2.65 3.32 -0.65 -2.04 116.42 122.26 3kjk h ASP 81 Ca 0.22 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3kjk h ASP 81 Cb 0.23 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3kjk h ASP 81 CO -0.24 0.85 0.00 0.00 -1.72 0.00 0.00 179.24 178.13 3kjk h ALA 82 N 1.35 1.00 0.06 3.45 0.00 -1.47 -3.33 119.26 120.33 3kjk h ALA 82 Ca 0.35 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.89 3kjk h ALA 82 Cb -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3kjk h ALA 82 CO -0.07 0.00 -2.15 1.87 0.00 0.00 0.00 179.25 178.90 3kjk n TRP 83 N -3.09 0.72 -1.42 0.00 -0.00 -0.84 -4.98 117.44 107.83 3kjk n TRP 83 Ca 0.01 0.17 -0.36 0.00 -0.00 0.00 0.00 57.50 57.32 3kjk n TRP 83 Cb 0.33 -1.09 0.08 0.00 -0.00 0.00 0.00 31.31 30.63 3kjk n TRP 83 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 3kjk n VAL 84 N -3.52 3.12 -3.00 5.87 0.24 -0.83 -4.94 118.33 115.27 3kjk n VAL 84 Ca -0.38 -0.40 -0.41 0.00 -2.04 0.00 0.00 64.34 61.11 3kjk n VAL 84 Cb 0.99 -1.14 -0.05 0.00 -1.47 0.00 0.00 33.84 32.16 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 -1.75 3.57 0.07 2.33 0.00 -1.26 -4.99 121.76 119.72 3kjk s ALA 85 Ca 0.75 -0.42 -0.37 0.00 0.00 0.00 0.00 51.96 51.92 3kjk s ALA 85 Cb -0.36 -3.21 -0.17 0.00 0.00 0.00 0.00 23.12 19.38 3kjk s ALA 85 CO 0.49 -1.06 1.32 0.00 0.00 0.00 0.00 175.76 176.51 3kjk n ALA 86 N 6.02 -1.26 -0.57 0.00 0.00 -1.26 -0.83 120.51 122.61 3kjk n ALA 86 Ca 0.02 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3kjk n ALA 86 Cb 0.48 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 2.44 1.54 2.61 0.00 0.00 -1.26 -4.81 105.19 105.71 3kjk n GLY 87 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.97 1.61 1.74 -0.01 -5.09 116.66 112.03 3kjk n ARG 88 Ca 0.00 -3.66 -0.40 0.00 -0.77 0.00 0.00 57.85 53.02 3kjk n ARG 88 Cb 0.00 -1.69 -0.06 0.00 -1.02 0.00 0.00 32.46 29.69 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 4.50 0.88 0.55 -4.23 -1.20 -4.52 115.64 107.68 3kjk s THR 89 Ca 0.34 1.69 -0.13 0.00 -1.18 0.00 0.00 61.69 62.41 3kjk s THR 89 Cb 0.38 -4.14 0.16 0.00 1.34 0.00 0.00 72.50 70.25 3kjk s THR 89 CO -0.02 0.46 1.23 -2.16 -0.54 0.00 0.00 174.62 173.59 3kjk s PRO 90 N -0.72 1.13 0.50 3.99 0.04 -1.26 -5.04 135.00 133.64 3kjk s PRO 90 Ca 0.37 -0.40 -0.22 0.00 0.04 0.00 0.00 61.00 60.79 3kjk s PRO 90 Cb -0.22 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 3kjk s PRO 90 CO 0.25 -2.05 1.20 0.00 0.04 0.00 0.00 177.00 176.44 3kjk s ALA 91 N -3.69 2.86 -0.04 8.56 0.00 0.08 -4.92 121.76 124.62 3kjk s ALA 91 Ca 0.70 1.01 -0.09 0.00 0.00 0.00 0.00 51.96 53.57 3kjk s ALA 91 Cb -0.06 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.65 3kjk s ALA 91 CO 0.50 -0.87 0.22 0.50 0.00 0.00 0.00 175.76 176.11 3kjk s ARG 92 N -2.88 0.43 -0.02 0.00 3.52 -1.26 -0.87 118.95 117.87 3kjk s ARG 92 Ca 0.68 -0.03 -0.01 0.00 -0.13 0.00 0.00 55.73 56.23 3kjk s ARG 92 Cb -0.31 0.19 0.01 0.00 -1.56 0.00 0.00 34.95 33.28 3kjk s ARG 92 CO 0.36 -0.09 0.05 0.00 -0.81 0.00 0.00 175.30 174.81 3kjk s ALA 93 N -0.69 -0.10 -0.11 6.12 0.00 -0.74 -4.99 121.76 121.25 3kjk s ALA 93 Ca -0.08 0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.02 3kjk s ALA 93 Cb -0.04 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.01 3kjk s ALA 93 CO 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 175.76 175.71 3kjk s VAL 95 N 1.82 0.86 -0.27 0.00 -7.23 -0.64 -5.00 120.40 109.94 3kjk s VAL 95 Ca 0.04 -1.72 -0.18 0.00 -1.81 0.00 0.00 61.98 58.32 3kjk s VAL 95 Cb -0.13 -1.43 -0.02 0.00 0.56 0.00 0.00 36.38 35.35 3kjk s VAL 95 CO -0.07 -0.65 0.52 -0.70 -0.31 0.00 0.00 175.10 173.89 3kjk s GLU 96 N -3.07 4.03 -0.16 4.82 2.12 -1.26 -1.73 118.70 123.44 3kjk s GLU 96 Ca 0.07 0.28 -0.12 0.00 0.36 0.00 0.00 54.97 55.56 3kjk s GLU 96 Cb -0.01 -3.67 0.05 0.00 0.26 0.00 0.00 34.13 30.77 3kjk s GLU 96 CO -0.01 -0.38 0.41 0.00 -0.54 0.00 0.00 175.26 174.73 3kjk s ALA 97 N 2.32 -1.02 0.53 6.30 0.00 0.41 -4.93 121.76 125.38 3kjk s ALA 97 Ca 0.21 1.33 -0.21 0.00 0.00 0.00 0.00 51.96 53.30 3kjk s ALA 97 Cb -0.16 -0.79 -0.06 0.00 0.00 0.00 0.00 23.12 22.11 3kjk s ALA 97 CO 0.10 -0.23 1.18 1.03 0.00 0.00 0.00 175.76 177.83 3kjk s ARG 98 N 0.81 3.38 0.48 0.00 0.52 -1.26 -3.57 118.95 119.30 3kjk s ARG 98 Ca -0.05 1.76 0.05 0.00 -0.52 0.00 0.00 55.73 56.98 3kjk s ARG 98 Cb -0.06 -2.13 0.05 0.00 0.52 0.00 0.00 34.95 33.33 3kjk s ARG 98 CO -0.06 -0.86 0.44 1.28 0.02 0.00 0.00 175.30 176.12 3kjk n LEU 99 N -1.09 0.00 0.24 2.53 4.77 -1.26 -5.01 117.00 117.19 3kjk n LEU 99 Ca 0.11 -2.36 0.11 0.00 -0.03 0.00 0.00 56.01 53.84 3kjk n LEU 99 Cb 0.49 -0.12 0.61 0.00 -2.33 0.00 0.00 43.42 42.07 3kjk n LEU 99 CO 0.45 -0.58 0.90 0.00 -1.33 0.00 0.00 177.39 176.83 3kjk h ALA 100 N 0.55 1.17 -4.07 -1.18 0.00 -1.96 -3.41 119.26 110.36 3kjk h ALA 100 Ca -0.28 -0.16 -0.63 0.00 0.00 0.00 0.00 54.91 53.84 3kjk h ALA 100 Cb 1.08 -0.03 -0.25 0.00 0.00 0.00 0.00 17.79 18.59 3kjk h ALA 100 CO 0.43 0.22 -0.86 1.03 0.00 0.00 0.00 179.25 180.07 3kjk s ARG 101 N -3.97 1.49 0.41 0.00 0.52 -1.26 -5.05 118.95 111.09 3kjk s ARG 101 Ca -0.02 -1.08 0.13 0.00 -0.52 0.00 0.00 55.73 54.24 3kjk s ARG 101 Cb 0.12 -1.70 0.87 0.00 0.52 0.00 0.00 34.95 34.76 3kjk s ARG 101 CO 0.61 0.43 1.93 -1.35 0.02 0.00 0.00 175.30 176.93 3kjk h PRO 102 N 4.60 0.06 0.00 3.54 0.11 -2.02 -2.90 132.00 135.39 3kjk h PRO 102 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kjk h PRO 102 Cb 1.16 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kjk h PRO 102 CO 0.42 0.28 0.00 0.39 -0.21 0.00 0.00 178.00 178.89 3kjk n GLU 103 N -4.25 0.17 -2.64 1.05 4.71 -1.26 -4.71 120.64 113.70 3kjk n GLU 103 Ca -0.02 0.27 -0.43 0.00 -0.01 0.00 0.00 57.16 56.98 3kjk n GLU 103 Cb 0.29 -1.75 -0.02 0.00 -1.01 0.00 0.00 31.44 28.95 3kjk n GLU 103 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 3kjk s TRP 104 N -3.16 3.18 -0.24 -0.32 0.51 -1.10 -4.91 118.94 112.91 3kjk s TRP 104 Ca 0.08 1.24 0.22 0.00 -2.12 0.00 0.00 56.10 55.52 3kjk s TRP 104 Cb 0.12 -3.62 -0.27 0.00 -0.81 0.00 0.00 33.47 28.88 3kjk s TRP 104 CO 0.46 -0.72 0.63 0.54 -0.51 0.00 0.00 176.95 177.35 3kjk n ARG 105 N 6.78 0.53 -3.80 4.98 1.74 -1.26 -4.59 116.66 121.03 3kjk n ARG 105 Ca 0.12 -0.13 -0.12 0.00 -0.77 0.00 0.00 57.85 56.94 3kjk n ARG 105 Cb 0.47 -1.54 -0.11 0.00 -1.02 0.00 0.00 32.46 30.25 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 -3.40 0.02 -0.02 1.55 0.11 -1.26 -1.51 120.40 115.89 3kjk s VAL 106 Ca -0.04 -0.18 0.00 0.00 -2.93 0.00 0.00 61.98 58.83 3kjk s VAL 106 Cb 0.14 -0.38 0.03 0.00 -1.53 0.00 0.00 36.38 34.64 3kjk s VAL 106 CO 0.89 -0.10 0.01 -0.70 -3.33 0.00 0.00 175.10 171.87 3kjk s GLU 107 N -0.32 0.12 -0.10 1.54 2.12 0.19 -4.26 118.70 117.99 3kjk s GLU 107 Ca -0.04 0.13 0.04 0.00 0.36 0.00 0.00 54.97 55.45 3kjk s GLU 107 Cb -0.03 -0.35 -0.00 0.00 0.26 0.00 0.00 34.13 34.01 3kjk s GLU 107 CO 0.01 -0.14 -0.24 0.42 -0.54 0.00 0.00 175.26 174.77 3kjk s ILE 108 N 1.00 2.09 -0.21 -3.70 1.01 -1.26 -0.16 121.20 119.97 3kjk s ILE 108 Ca -0.09 -1.01 -0.01 0.00 0.00 0.00 0.00 60.65 59.54 3kjk s ILE 108 Cb -0.13 -1.79 0.02 0.00 0.01 0.00 0.00 42.46 40.57 3kjk s ILE 108 CO -0.02 0.56 -0.13 -0.75 0.00 0.00 0.00 174.94 174.60 3kjk s LYS 109 N 0.29 3.01 -0.08 2.79 2.20 0.17 -4.50 119.74 123.61 3kjk s LYS 109 Ca -0.17 -0.84 0.02 0.00 -0.36 0.00 0.00 55.97 54.62 3kjk s LYS 109 Cb -0.18 -2.79 -0.02 0.00 -1.51 0.00 0.00 37.83 33.33 3kjk s LYS 109 CO 0.08 -0.27 -0.13 0.42 -0.36 0.00 0.00 175.35 175.09 3kjk s ILE 110 N 1.33 3.12 -0.09 5.43 -1.09 -1.26 -1.31 121.20 127.33 3kjk s ILE 110 Ca 0.03 -0.68 0.03 0.00 -2.23 0.00 0.00 60.65 57.81 3kjk s ILE 110 Cb -0.14 -2.26 -0.01 0.00 -1.58 0.00 0.00 42.46 38.47 3kjk s ILE 110 CO -0.08 0.57 -0.19 -0.89 -1.23 0.00 0.00 174.94 173.11 3kjk s THR 111 N -0.34 2.51 0.11 2.92 2.01 -0.14 -1.23 115.64 121.49 3kjk s THR 111 Ca 0.03 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.18 3kjk s THR 111 Cb -0.13 -1.99 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 3kjk s THR 111 CO 0.02 0.56 0.10 0.00 -0.69 0.00 0.00 174.62 174.61 3kjk n ALA 112 N 3.20 0.21 -2.95 7.40 0.00 0.36 -0.50 120.51 128.22 3kjk n ALA 112 Ca -0.18 -0.65 -0.10 0.00 0.00 0.00 0.00 53.44 52.51 3kjk n ALA 112 Cb 0.52 0.52 -0.12 0.00 0.00 0.00 0.00 19.45 20.38 3kjk n ALA 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kjk s VAL 113 N -2.47 0.07 0.60 0.00 0.11 -0.55 -0.96 120.40 117.21 3kjk s VAL 113 Ca 0.13 -0.59 -0.16 0.00 -2.93 0.00 0.00 61.98 58.43 3kjk s VAL 113 Cb 0.01 -0.19 -0.03 0.00 -1.53 0.00 0.00 36.38 34.64 3kjk s VAL 113 CO 0.09 -0.32 1.09 -0.54 -3.33 0.00 0.00 175.10 172.09 3kjk s LYS 114 N -0.96 3.15 0.57 1.54 1.02 -0.68 -4.66 119.74 119.73 3kjk s LYS 114 Ca -0.10 1.35 -0.18 0.00 0.02 0.00 0.00 55.97 57.05 3kjk s LYS 114 Cb -0.07 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.20 3kjk s LYS 114 CO -0.01 -0.96 1.12 1.03 -0.92 0.00 0.00 175.35 175.61 3kjk s ARG 115 N -3.91 3.23 0.00 1.68 0.52 -0.92 -5.00 118.95 114.56 3kjk s ARG 115 Ca 0.67 1.54 0.31 0.00 -0.52 0.00 0.00 55.73 57.72 3kjk s ARG 115 Cb -0.19 -2.00 1.76 0.00 0.52 0.00 0.00 34.95 35.05 3kjk s ARG 115 CO 0.36 -0.93 2.15 -0.25 0.02 0.00 0.00 175.30 176.64