#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 5.21 -0.20 0.53 1.01 -1.26 -4.03 121.20 122.46 3kjk s ILE 3 Ca 0.00 0.70 -0.04 0.00 0.00 0.00 0.00 60.65 61.31 3kjk s ILE 3 Cb 0.00 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 3kjk s ILE 3 CO 0.00 0.26 -0.04 -0.13 0.00 0.00 0.00 174.94 175.03 3kjk s ARG 4 N 1.24 3.48 -0.21 2.79 1.81 0.08 -4.96 118.95 123.18 3kjk s ARG 4 Ca 0.19 -0.59 -0.10 0.00 -1.72 0.00 0.00 55.73 53.51 3kjk s ARG 4 Cb -0.15 -2.99 -0.05 0.00 -0.45 0.00 0.00 34.95 31.32 3kjk s ARG 4 CO 0.08 -0.05 0.14 0.71 -0.68 0.00 0.00 175.30 175.50 3kjk s TYR 5 N 1.12 3.38 -0.08 -0.53 2.02 -1.26 -0.84 117.35 121.16 3kjk s TYR 5 Ca 0.02 0.30 0.04 0.00 -0.37 0.00 0.00 57.07 57.05 3kjk s TYR 5 Cb -0.15 -2.20 -0.01 0.00 -0.40 0.00 0.00 41.96 39.20 3kjk s TYR 5 CO -0.00 0.21 -0.19 -0.06 -1.57 0.00 0.00 175.55 173.94 3kjk s PHE 6 N 0.61 2.61 -1.35 2.71 0.08 0.11 -4.72 117.98 118.02 3kjk s PHE 6 Ca 0.08 -0.62 -0.08 0.00 0.12 0.00 0.00 56.93 56.44 3kjk s PHE 6 Cb -0.12 -1.69 0.02 0.00 -0.57 0.00 0.00 43.02 40.66 3kjk s PHE 6 CO 0.00 -0.15 1.10 0.41 -0.10 0.00 0.00 175.22 176.49 3kjk n GLY 7 N 3.04 -0.50 3.74 4.36 0.00 -1.26 -1.46 105.19 113.11 3kjk n GLY 7 Ca -0.18 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3kjk n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kjk n THR 8 N -4.78 0.92 -4.66 2.61 -1.04 -1.26 -2.89 114.28 103.18 3kjk n THR 8 Ca -0.05 -0.23 -0.30 0.00 -2.04 0.00 0.00 64.05 61.43 3kjk n THR 8 Cb 0.58 -1.96 -0.09 0.00 -1.82 0.00 0.00 70.33 67.05 3kjk n THR 8 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3kjk s THR 9 N 0.11 1.26 -0.38 12.58 -4.23 0.83 -4.95 115.64 120.85 3kjk s THR 9 Ca 0.65 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.37 3kjk s THR 9 Cb -0.50 -2.44 0.21 0.00 1.34 0.00 0.00 72.50 71.10 3kjk s THR 9 CO 0.47 0.00 1.63 -2.65 -0.54 0.00 0.00 174.62 173.53 3kjk n PRO 10 N -1.08 0.15 -0.09 3.99 -0.02 -1.26 -3.63 135.00 133.05 3kjk n PRO 10 Ca -0.12 0.54 -0.15 0.00 -2.02 0.00 0.00 63.50 61.75 3kjk n PRO 10 Cb 0.67 -1.88 -0.08 0.00 -0.02 0.00 0.00 33.50 32.19 3kjk n PRO 10 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3kjk n ARG 11 N -2.17 0.43 -3.46 -0.52 0.63 -1.26 -5.08 116.66 105.22 3kjk n ARG 11 Ca 0.00 0.12 -0.12 0.00 -0.92 0.00 0.00 57.85 56.94 3kjk n ARG 11 Cb 0.11 -1.30 -0.02 0.00 0.45 0.00 0.00 32.46 31.69 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 -2.35 -0.48 -0.08 -0.14 -0.85 -1.24 -5.16 117.35 107.05 3kjk s TYR 12 Ca -0.25 0.25 -0.02 0.00 -0.52 0.00 0.00 57.07 56.53 3kjk s TYR 12 Cb 0.07 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.91 3kjk s TYR 12 CO 0.39 -0.85 0.04 -1.12 -1.52 0.00 0.00 175.55 172.49 3kjk s SER 13 N -2.76 5.53 0.35 -0.18 0.01 -1.26 -0.12 113.70 115.26 3kjk s SER 13 Ca 0.02 0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.50 3kjk s SER 13 Cb -0.01 -1.61 0.62 0.00 0.21 0.00 0.00 66.02 65.24 3kjk s SER 13 CO -0.12 0.36 2.00 -0.33 0.41 0.00 0.00 173.24 175.57 3kjk h GLU 14 N 4.92 0.85 -2.99 12.44 4.39 -1.11 -3.38 114.58 129.70 3kjk h GLU 14 Ca -0.51 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 58.99 3kjk h GLU 14 Cb 1.20 -0.19 -0.25 0.00 -0.10 0.00 0.00 28.75 29.40 3kjk h GLU 14 CO 0.56 0.56 -0.36 0.00 -1.16 0.00 0.00 179.01 178.62 3kjk s ALA 15 N -5.75 -0.76 -0.07 3.43 0.00 -1.00 -0.30 121.76 117.32 3kjk s ALA 15 Ca -0.10 0.87 0.05 0.00 0.00 0.00 0.00 51.96 52.78 3kjk s ALA 15 Cb 0.18 -0.51 -0.00 0.00 0.00 0.00 0.00 23.12 22.79 3kjk s ALA 15 CO 0.77 -0.15 -0.23 0.08 0.00 0.00 0.00 175.76 176.23 3kjk s VAL 16 N 0.18 1.92 -0.05 0.00 1.01 -0.28 -0.72 120.40 122.47 3kjk s VAL 16 Ca -0.00 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.07 3kjk s VAL 16 Cb -0.02 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 3kjk s VAL 16 CO 0.00 0.53 -0.20 -0.83 0.00 0.00 0.00 175.10 174.61 3kjk s GLY 17 N 0.13 1.41 -0.23 4.51 0.00 -0.02 -0.84 107.32 112.28 3kjk s GLY 17 Ca -0.11 -1.03 -0.05 0.00 0.00 0.00 0.00 44.72 43.53 3kjk s GLY 17 CO 0.06 -0.77 0.43 0.00 0.00 0.00 0.00 173.10 172.81 3kjk s ALA 18 N -0.55 -1.26 -0.34 3.20 0.00 0.15 -0.74 121.76 122.22 3kjk s ALA 18 Ca 0.08 1.35 -0.00 0.00 0.00 0.00 0.00 51.96 53.38 3kjk s ALA 18 Cb -0.11 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.47 3kjk s ALA 18 CO 0.01 -1.00 0.25 0.09 0.00 0.00 0.00 175.76 175.11 3kjk n ASN 19 N 5.39 -1.99 0.00 0.00 4.13 -1.26 -1.47 115.26 120.06 3kjk n ASN 19 Ca -0.06 -0.41 0.00 0.00 1.68 0.00 0.00 54.58 55.79 3kjk n ASN 19 Cb 0.50 -0.66 0.00 0.00 -1.54 0.00 0.00 39.78 38.08 3kjk n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kjk n GLY 20 N -0.96 2.86 3.87 7.41 0.00 -1.26 -5.03 105.19 112.08 3kjk n GLY 20 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 4.18 -0.04 0.99 1.43 -0.54 -0.69 118.68 124.01 3kjk s LEU 21 Ca 0.00 0.97 0.01 0.00 -1.03 0.00 0.00 54.13 54.07 3kjk s LEU 21 Cb 0.00 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.59 3kjk s LEU 21 CO 0.00 -0.06 -0.04 -0.63 0.23 0.00 0.00 176.35 175.85 3kjk s ILE 22 N -1.78 0.51 -0.24 -0.59 1.01 0.67 -0.67 121.20 120.11 3kjk s ILE 22 Ca 0.47 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 61.04 3kjk s ILE 22 Cb -0.12 -0.54 0.05 0.00 0.01 0.00 0.00 42.46 41.86 3kjk s ILE 22 CO 0.21 0.22 -0.13 -0.36 0.00 0.00 0.00 174.94 174.88 3kjk s PHE 23 N 0.95 3.14 0.34 3.97 0.08 -0.02 -0.44 117.98 126.00 3kjk s PHE 23 Ca -0.11 -2.17 -0.13 0.00 0.12 0.00 0.00 56.93 54.64 3kjk s PHE 23 Cb -0.14 -1.92 -0.08 0.00 -0.57 0.00 0.00 43.02 40.31 3kjk s PHE 23 CO -0.00 -0.86 0.73 -0.51 -0.10 0.00 0.00 175.22 174.48 3kjk s LEU 24 N 1.15 4.00 0.88 -0.37 1.43 -0.65 -1.12 118.68 124.00 3kjk s LEU 24 Ca -0.06 1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 54.14 3kjk s LEU 24 Cb -0.19 -4.03 0.12 0.00 0.03 0.00 0.00 46.19 42.13 3kjk s LEU 24 CO -0.07 -0.25 1.10 -0.44 0.23 0.00 0.00 176.35 176.92 3kjk s SER 25 N -2.54 3.44 0.17 2.29 0.01 0.59 -4.28 113.70 113.39 3kjk s SER 25 Ca 0.53 1.78 0.00 0.00 1.31 0.00 0.00 55.95 59.57 3kjk s SER 25 Cb -0.10 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.72 3kjk s SER 25 CO 0.22 -2.70 0.00 0.61 0.41 0.00 0.00 173.24 171.77 3kjk n GLY 26 N -0.63 -3.03 3.64 3.44 0.00 -1.26 -4.56 105.19 102.79 3kjk n GLY 26 Ca 0.09 -1.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.17 0.00 0.31 1.61 -7.23 -1.26 -4.93 120.40 108.73 3kjk s VAL 28 Ca 0.00 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.88 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 1.53 -2.84 -0.31 0.00 0.00 175.10 173.48 3kjk s PRO 29 N -1.18 4.15 -0.02 4.82 0.02 -1.26 -4.82 135.00 136.71 3kjk s PRO 29 Ca 0.10 2.51 0.09 0.00 0.02 0.00 0.00 61.00 63.72 3kjk s PRO 29 Cb -0.01 -3.03 -0.14 0.00 0.02 0.00 0.00 34.50 31.34 3kjk s PRO 29 CO -0.07 -0.55 0.19 0.39 -0.33 0.00 0.00 177.00 176.63 3kjk n GLU 30 N 1.68 0.53 -4.23 5.54 1.02 -1.26 -5.03 120.64 118.89 3kjk n GLU 30 Ca 0.06 -0.08 -0.13 0.00 -0.02 0.00 0.00 57.16 56.99 3kjk n GLU 30 Cb 0.39 -1.23 -0.10 0.00 -0.02 0.00 0.00 31.44 30.48 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 -3.20 1.40 0.00 1.62 0.01 -1.26 -5.14 114.94 108.37 3kjk s ASN 31 Ca -0.04 -1.09 0.00 0.00 -0.71 0.00 0.00 52.86 51.03 3kjk s ASN 31 Cb 0.06 0.07 0.00 0.00 0.41 0.00 0.00 41.25 41.79 3kjk s ASN 31 CO 0.39 -0.47 0.00 0.61 -1.51 0.00 0.00 177.10 176.12 3kjk n GLY 32 N -0.19 0.10 0.35 0.66 0.00 -1.26 -4.20 105.19 100.65 3kjk n GLY 32 Ca -0.09 -1.56 -0.20 0.00 0.00 0.00 0.00 46.02 44.17 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 0.51 0.42 -1.57 1.61 1.02 -1.26 -4.68 120.64 116.69 3kjk n GLU 33 Ca 0.00 0.17 -0.31 0.00 -0.02 0.00 0.00 57.16 57.00 3kjk n GLU 33 Cb 0.00 -1.22 0.06 0.00 -0.02 0.00 0.00 31.44 30.26 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 -2.36 3.84 0.24 2.62 -4.23 -1.26 -4.84 115.64 109.65 3kjk s THR 34 Ca -0.27 0.60 -0.05 0.00 -1.18 0.00 0.00 61.69 60.79 3kjk s THR 34 Cb 0.10 -3.35 0.20 0.00 1.34 0.00 0.00 72.50 70.80 3kjk s THR 34 CO 0.36 -0.78 1.77 0.00 -0.54 0.00 0.00 174.62 175.42 3kjk h ALA 35 N -0.79 1.09 -0.12 3.99 0.00 -1.96 -0.50 119.26 120.97 3kjk h ALA 35 Ca -0.44 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3kjk h ALA 35 Cb 1.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3kjk h ALA 35 CO 0.57 -0.08 0.04 0.00 0.00 0.00 0.00 179.25 179.79 3kjk h ALA 36 N 1.49 0.16 -0.44 0.00 0.00 -1.93 0.90 119.26 119.44 3kjk h ALA 36 Ca 0.40 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3kjk h ALA 36 Cb 0.49 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3kjk h ALA 36 CO -0.32 -0.22 0.21 0.93 0.00 0.00 0.00 179.25 179.84 3kjk h GLU 37 N 0.01 0.64 -0.34 0.00 5.08 -1.87 -1.59 114.58 116.52 3kjk h GLU 37 Ca 0.04 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3kjk h GLU 37 Cb 0.22 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3kjk h GLU 37 CO -0.00 0.56 0.01 1.96 -1.00 0.00 0.00 179.01 180.54 3kjk h GLN 38 N 0.57 0.59 -0.18 2.33 4.20 -1.05 -1.62 115.11 119.95 3kjk h GLN 38 Ca 0.15 -0.18 0.04 0.00 0.06 0.00 0.00 58.65 58.72 3kjk h GLN 38 Cb 0.13 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 3kjk h GLN 38 CO -0.02 0.70 -0.09 1.15 -0.67 0.00 0.00 178.83 179.91 3kjk h THR 39 N 0.40 0.72 -0.47 -0.54 2.02 -0.73 -0.64 112.91 113.66 3kjk h THR 39 Ca 0.10 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.36 3kjk h THR 39 Cb 0.43 0.72 -0.07 0.00 -1.74 0.00 0.00 68.15 67.49 3kjk h THR 39 CO 0.02 0.00 0.07 0.00 0.37 0.00 0.00 175.52 175.97 3kjk h ALA 40 N 1.09 0.50 -0.75 6.16 0.00 -1.19 -0.00 119.26 125.07 3kjk h ALA 40 Ca 0.10 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3kjk h ALA 40 Cb 0.22 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3kjk h ALA 40 CO -0.23 -0.34 0.45 0.22 0.00 0.00 0.00 179.25 179.36 3kjk h ASP 41 N 0.19 0.91 -0.50 0.00 3.58 -0.95 -0.76 116.42 118.89 3kjk h ASP 41 Ca 0.24 -0.07 -0.07 0.00 0.42 0.00 0.00 57.03 57.55 3kjk h ASP 41 Cb 0.33 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 3kjk h ASP 41 CO -0.34 0.71 0.03 0.58 -2.88 0.00 0.00 179.24 177.35 3kjk h VAL 42 N 1.03 1.26 -0.07 2.25 2.07 -0.49 -1.98 116.25 120.32 3kjk h VAL 42 Ca 0.27 -1.03 -0.11 0.00 0.82 0.00 0.00 66.70 66.65 3kjk h VAL 42 Cb -0.03 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3kjk h VAL 42 CO -0.05 0.36 -0.47 -0.07 0.02 0.00 0.00 177.57 177.37 3kjk h LEU 43 N 0.74 0.18 -0.73 2.57 3.38 -0.81 -1.48 115.31 119.16 3kjk h LEU 43 Ca 0.15 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 3kjk h LEU 43 Cb 0.47 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3kjk h LEU 43 CO 0.02 0.62 -0.27 0.00 0.09 0.00 0.00 178.44 178.90 3kjk h ALA 44 N 1.39 0.91 -0.06 1.53 0.00 -0.99 0.17 119.26 122.20 3kjk h ALA 44 Ca 0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3kjk h ALA 44 Cb 0.88 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3kjk h ALA 44 CO 0.07 0.62 0.02 1.96 0.00 0.00 0.00 179.25 181.92 3kjk h GLN 45 N 0.59 0.08 -0.79 0.00 4.20 -1.13 -2.27 115.11 115.80 3kjk h GLN 45 Ca 0.08 -0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.88 3kjk h GLN 45 Cb 0.76 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.45 3kjk h GLN 45 CO 0.06 0.20 0.41 0.82 -0.67 0.00 0.00 178.83 179.66 3kjk h ILE 46 N -0.06 0.83 -0.91 2.54 2.04 -1.11 -0.77 117.51 120.07 3kjk h ILE 46 Ca 0.02 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.71 3kjk h ILE 46 Cb 0.15 0.10 -0.06 0.00 -0.74 0.00 0.00 36.82 36.28 3kjk h ILE 46 CO -0.00 0.12 0.59 0.44 0.00 0.00 0.00 178.15 179.30 3kjk h ASP 47 N 0.67 0.93 -0.21 1.72 3.32 -0.77 -1.39 116.42 120.68 3kjk h ASP 47 Ca 0.40 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.34 3kjk h ASP 47 Cb 0.45 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 3kjk h ASP 47 CO -0.29 0.61 -0.29 -0.09 -1.72 0.00 0.00 179.24 177.46 3kjk h ARG 48 N 1.07 0.56 0.04 3.56 9.65 -0.57 -2.75 114.38 125.94 3kjk h ARG 48 Ca 0.38 -0.33 -0.27 0.00 -1.10 0.00 0.00 59.98 58.66 3kjk h ARG 48 Cb 0.15 0.03 0.02 0.00 -1.39 0.00 0.00 29.97 28.78 3kjk h ARG 48 CO -0.14 0.93 -1.10 -1.49 2.80 0.00 0.00 179.97 180.97 3kjk h TRP 49 N 0.24 0.95 -0.32 2.20 4.06 -1.22 -2.29 115.95 119.58 3kjk h TRP 49 Ca 0.02 -0.55 0.07 0.00 2.06 0.00 0.00 58.89 60.49 3kjk h TRP 49 Cb 0.87 -0.10 -0.06 0.00 -1.00 0.00 0.00 29.16 28.87 3kjk h TRP 49 CO 0.09 1.39 -0.11 -0.07 -3.56 0.00 0.00 178.44 176.18 3kjk h LEU 50 N 0.32 -0.38 -0.46 -4.49 3.38 -1.34 -1.42 115.31 110.91 3kjk h LEU 50 Ca -0.14 0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.99 3kjk h LEU 50 Cb 1.76 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 42.69 3kjk h LEU 50 CO 0.21 -0.14 0.19 0.00 0.09 0.00 0.00 178.44 178.79 3kjk h ALA 51 N 1.25 0.57 -0.46 1.53 0.00 -1.25 0.14 119.26 121.05 3kjk h ALA 51 Ca 0.16 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.24 3kjk h ALA 51 Cb 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3kjk h ALA 51 CO -0.35 -0.19 0.33 0.93 0.00 0.00 0.00 179.25 179.97 3kjk h GLU 52 N 0.38 0.02 -0.21 0.00 4.39 -0.90 -1.97 114.58 116.29 3kjk h GLU 52 Ca 0.21 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 3kjk h GLU 52 Cb 0.19 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3kjk h GLU 52 CO -0.20 0.01 0.00 0.00 -1.16 0.00 0.00 179.01 177.66 3kjk n GLY 54 N 1.32 0.62 3.21 0.00 0.00 -0.74 -4.80 105.19 104.80 3kjk n GLY 54 Ca 0.17 -0.48 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 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 0.41 -0.90 -3.21 1.61 2.88 0.36 -1.72 113.62 113.04 3kjk n SER 55 Ca -0.00 -3.07 -0.11 0.00 -1.33 0.00 0.00 58.87 54.36 3kjk n SER 55 Cb 0.51 1.91 -0.01 0.00 -0.75 0.00 0.00 64.21 65.88 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 -3.25 0.29 0.55 -3.46 1.47 -1.26 -2.65 116.67 108.37 3kjk s ASP 56 Ca 0.36 -1.20 0.33 0.00 1.18 0.00 0.00 52.55 53.22 3kjk s ASP 56 Cb 0.01 0.75 1.57 0.00 -0.34 0.00 0.00 42.92 44.92 3kjk s ASP 56 CO 0.26 -1.48 2.08 0.07 0.68 0.00 0.00 175.17 176.78 3kjk h LYS 57 N 2.06 0.00 0.00 2.11 2.10 -1.93 -1.43 116.57 119.48 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 0.38 0.07 0.00 0.00 -2.00 0.00 0.00 179.45 177.90 3kjk n ALA 58 N -2.17 2.39 -1.47 0.07 0.00 -1.26 -3.04 120.51 115.03 3kjk n ALA 58 Ca -0.01 -0.15 0.07 0.00 0.00 0.00 0.00 53.44 53.35 3kjk n ALA 58 Cb 0.25 -1.40 0.10 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.05 0.00 -2.66 0.00 8.25 -0.54 -4.98 115.22 114.23 3kjk n HIS 59 Ca 0.17 -0.77 -0.42 0.00 -0.26 0.00 0.00 57.72 56.44 3kjk n HIS 59 Cb 0.10 -0.14 -0.03 0.00 1.12 0.00 0.00 29.99 31.05 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 -1.99 4.72 -0.08 1.59 1.01 -1.17 -2.10 120.40 122.39 3kjk s VAL 60 Ca 0.24 1.97 -0.12 0.00 0.00 0.00 0.00 61.98 64.08 3kjk s VAL 60 Cb 0.22 -4.26 -0.29 0.00 0.00 0.00 0.00 36.38 32.05 3kjk s VAL 60 CO -0.00 0.09 0.58 -0.07 0.00 0.00 0.00 175.10 175.69 3kjk h LEU 61 N 7.36 0.51 -7.32 3.92 3.38 -0.98 -3.39 115.31 118.79 3kjk h LEU 61 Ca -0.37 -0.91 -0.13 0.00 0.09 0.00 0.00 57.88 56.56 3kjk h LEU 61 Cb 1.19 -0.17 -0.25 0.00 0.09 0.00 0.00 40.66 41.52 3kjk h LEU 61 CO 0.80 1.75 -0.31 -0.62 0.09 0.00 0.00 178.44 180.16 3kjk s ASP 62 N -7.18 -0.41 -0.03 -0.43 2.15 -0.69 -1.50 116.67 108.58 3kjk s ASP 62 Ca -0.18 0.76 -0.01 0.00 0.43 0.00 0.00 52.55 53.56 3kjk s ASP 62 Cb 0.05 0.73 0.03 0.00 -0.30 0.00 0.00 42.92 43.43 3kjk s ASP 62 CO 0.81 -0.15 0.03 0.00 -0.17 0.00 0.00 175.17 175.69 3kjk s ALA 63 N 0.62 0.20 -0.22 3.66 0.00 0.09 -0.81 121.76 125.31 3kjk s ALA 63 Ca -0.03 0.22 -0.07 0.00 0.00 0.00 0.00 51.96 52.08 3kjk s ALA 63 Cb -0.05 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 3kjk s ALA 63 CO -0.04 -0.23 0.06 0.08 0.00 0.00 0.00 175.76 175.63 3kjk s VAL 64 N 1.42 4.42 -0.29 0.00 1.01 -0.56 -1.87 120.40 124.53 3kjk s VAL 64 Ca -0.04 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 3kjk s VAL 64 Cb -0.13 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.23 3kjk s VAL 64 CO -0.03 0.39 0.07 -0.63 0.00 0.00 0.00 175.10 174.90 3kjk s ILE 65 N 1.11 3.90 -0.25 2.22 1.01 0.73 -1.16 121.20 128.77 3kjk s ILE 65 Ca 0.04 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 59.90 3kjk s ILE 65 Cb -0.14 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 3kjk s ILE 65 CO 0.03 0.12 0.24 -0.31 0.00 0.00 0.00 174.94 175.02 3kjk s TYR 66 N 1.50 3.29 -0.10 3.97 2.02 0.58 -0.65 117.35 127.96 3kjk s TYR 66 Ca 0.03 0.28 -0.03 0.00 -0.37 0.00 0.00 57.07 56.99 3kjk s TYR 66 Cb -0.17 -2.38 -0.03 0.00 -0.40 0.00 0.00 41.96 38.97 3kjk s TYR 66 CO 0.02 -0.05 0.01 -0.51 -1.57 0.00 0.00 175.55 173.44 3kjk s LEU 67 N 1.44 3.60 0.28 -1.29 1.43 0.24 -0.86 118.68 123.52 3kjk s LEU 67 Ca 0.10 0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 3kjk s LEU 67 Cb -0.15 -1.83 0.40 0.00 0.03 0.00 0.00 46.19 44.64 3kjk s LEU 67 CO 0.08 0.35 1.85 -0.09 0.23 0.00 0.00 176.35 178.76 3kjk h ARG 68 N 5.41 0.87 0.00 1.70 2.43 -1.27 0.36 114.38 123.89 3kjk h ARG 68 Ca -0.48 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 3kjk h ARG 68 Cb 1.19 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3kjk h ARG 68 CO 0.56 0.75 0.00 -3.47 -1.51 0.00 0.00 179.97 176.30 3kjk n ASP 69 N -4.30 0.00 0.00 -3.80 4.64 -1.26 -4.54 116.55 107.30 3kjk n ASP 69 Ca 0.05 -0.26 0.00 0.00 -1.38 0.00 0.00 54.79 53.20 3kjk n ASP 69 Cb 0.20 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.28 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 0.85 0.27 0.00 -1.26 -4.39 105.19 100.67 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 2.47 0.34 1.61 8.00 -1.26 -4.65 116.55 123.06 3kjk n ASP 72 Ca 0.00 -2.00 -0.18 0.00 0.71 0.00 0.00 54.79 53.32 3kjk n ASP 72 Cb 0.00 -0.31 -0.10 0.00 -0.02 0.00 0.00 41.12 40.70 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 2.70 -1.33 -0.61 1.24 3.20 -2.01 -3.06 116.97 117.10 3kjk h TYR 73 Ca 0.00 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 3kjk h TYR 73 Cb 0.62 0.50 -0.05 0.00 1.54 0.00 0.00 36.73 39.34 3kjk h TYR 73 CO 0.31 -0.68 0.35 0.00 -1.64 0.00 0.00 178.16 176.51 3kjk h ALA 74 N -1.04 0.81 0.00 1.82 0.00 -1.99 0.32 119.26 119.18 3kjk h ALA 74 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kjk h ALA 74 Cb 0.88 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3kjk h ALA 74 CO 0.00 0.06 0.00 -1.91 0.00 0.00 0.00 179.25 177.40 3kjk n GLU 75 N -4.77 0.07 0.00 0.00 2.13 -1.16 -0.48 120.64 116.43 3kjk n GLU 75 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 3kjk n GLU 75 Cb 0.12 -1.05 0.00 0.00 0.27 0.00 0.00 31.44 30.79 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 0.48 0.00 -0.33 4.31 3.02 0.10 -3.23 115.26 119.62 3kjk n ASN 77 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.66 3kjk n ASN 77 Cb 0.02 0.00 0.28 0.00 -0.61 0.00 0.00 39.78 39.47 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 1.60 1.01 7.41 0.00 -1.04 0.13 103.07 112.19 3kjk h GLY 78 Ca 0.00 -0.30 -0.33 0.00 0.00 0.00 0.00 47.33 46.70 3kjk h GLY 78 CO 0.00 -0.08 -1.58 -2.08 0.00 0.00 0.00 176.54 172.80 3kjk h VAL 79 N 0.67 1.10 -0.42 4.60 2.07 -1.83 -3.24 116.25 119.20 3kjk h VAL 79 Ca 0.53 -2.57 0.04 0.00 0.82 0.00 0.00 66.70 65.51 3kjk h VAL 79 Cb 0.82 2.89 -0.04 0.00 -1.52 0.00 0.00 31.29 33.45 3kjk h VAL 79 CO -0.39 0.82 0.20 -0.25 0.02 0.00 0.00 177.57 177.97 3kjk h TRP 80 N 0.07 0.36 -0.69 1.57 2.91 -1.77 -2.36 115.95 116.04 3kjk h TRP 80 Ca -0.30 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 59.73 3kjk h TRP 80 Cb 2.08 -0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 30.59 3kjk h TRP 80 CO 0.12 0.18 0.41 -0.44 -1.03 0.00 0.00 178.44 177.68 3kjk h ASP 81 N 0.40 0.82 0.66 2.65 3.32 -0.88 -1.65 116.42 121.75 3kjk h ASP 81 Ca 0.18 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3kjk h ASP 81 Cb 0.10 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3kjk h ASP 81 CO -0.14 0.65 0.00 0.00 -1.72 0.00 0.00 179.24 178.03 3kjk n ALA 82 N -2.32 1.99 -0.13 3.45 0.00 -1.11 -3.80 120.51 118.59 3kjk n ALA 82 Ca 0.06 -0.08 -0.26 0.00 0.00 0.00 0.00 53.44 53.16 3kjk n ALA 82 Cb 0.06 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.06 3kjk n ALA 82 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3kjk n TRP 83 N -1.46 0.16 -1.39 0.00 -0.00 -0.74 -5.01 117.44 109.01 3kjk n TRP 83 Ca 0.06 0.06 -0.38 0.00 -0.00 0.00 0.00 57.50 57.24 3kjk n TRP 83 Cb 0.23 -1.02 0.04 0.00 -0.00 0.00 0.00 31.31 30.56 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 -4.01 1.92 -2.64 5.87 0.24 -0.70 -4.93 118.33 114.09 3kjk n VAL 84 Ca -0.49 -0.48 -0.43 0.00 -2.04 0.00 0.00 64.34 60.90 3kjk n VAL 84 Cb 0.90 -0.62 -0.02 0.00 -1.47 0.00 0.00 33.84 32.62 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 -1.79 3.64 0.27 2.33 0.00 -1.26 -5.00 121.76 119.95 3kjk s ALA 85 Ca 0.66 0.24 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 3kjk s ALA 85 Cb -0.42 -3.54 -0.12 0.00 0.00 0.00 0.00 23.12 19.03 3kjk s ALA 85 CO 0.57 -0.99 1.49 0.00 0.00 0.00 0.00 175.76 176.82 3kjk n ALA 86 N 6.14 1.81 -0.60 0.00 0.00 -1.26 -1.48 120.51 125.12 3kjk n ALA 86 Ca 0.12 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3kjk n ALA 86 Cb 0.46 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 2.03 1.19 2.36 0.00 0.00 -1.26 -4.80 105.19 104.71 3kjk n GLY 87 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 1.59 -2.53 1.61 1.74 -0.55 -5.10 116.66 111.42 3kjk n ARG 88 Ca 0.00 -3.26 -0.40 0.00 -0.77 0.00 0.00 57.85 53.42 3kjk n ARG 88 Cb 0.00 -1.35 -0.05 0.00 -1.02 0.00 0.00 32.46 30.05 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 -3.07 3.65 0.87 0.55 -4.23 -1.17 -4.65 115.64 107.60 3kjk s THR 89 Ca 0.32 1.62 -0.13 0.00 -1.18 0.00 0.00 61.69 62.31 3kjk s THR 89 Cb 0.35 -4.03 0.12 0.00 1.34 0.00 0.00 72.50 70.28 3kjk s THR 89 CO -0.06 0.37 1.20 -2.16 -0.54 0.00 0.00 174.62 173.43 3kjk s PRO 90 N -1.22 1.42 0.31 3.99 0.04 -1.26 -5.02 135.00 133.26 3kjk s PRO 90 Ca 0.45 0.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.22 3kjk s PRO 90 Cb -0.31 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 3kjk s PRO 90 CO 0.38 -1.95 1.36 0.00 0.04 0.00 0.00 177.00 176.83 3kjk s ALA 91 N -3.57 3.54 0.03 8.56 0.00 -0.56 -4.92 121.76 124.84 3kjk s ALA 91 Ca 0.65 1.31 0.01 0.00 0.00 0.00 0.00 51.96 53.92 3kjk s ALA 91 Cb -0.10 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 3kjk s ALA 91 CO 0.51 -0.71 -0.04 0.50 0.00 0.00 0.00 175.76 176.02 3kjk s ARG 92 N -1.34 0.38 -0.06 0.00 3.52 -1.26 -0.73 118.95 119.46 3kjk s ARG 92 Ca 0.53 -0.67 -0.05 0.00 -0.13 0.00 0.00 55.73 55.41 3kjk s ARG 92 Cb -0.41 0.00 0.02 0.00 -1.56 0.00 0.00 34.95 33.00 3kjk s ARG 92 CO 0.51 -0.02 0.15 0.00 -0.81 0.00 0.00 175.30 175.12 3kjk s ALA 93 N -1.50 -0.37 -0.07 6.12 0.00 -0.78 -4.98 121.76 120.17 3kjk s ALA 93 Ca -0.14 0.45 0.05 0.00 0.00 0.00 0.00 51.96 52.32 3kjk s ALA 93 Cb -0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 3kjk s ALA 93 CO -0.01 -0.08 -0.22 0.00 0.00 0.00 0.00 175.76 175.45 3kjk s VAL 95 N 0.11 0.07 -0.24 0.00 1.01 0.18 -4.97 120.40 116.55 3kjk s VAL 95 Ca -0.09 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 3kjk s VAL 95 Cb -0.15 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 3kjk s VAL 95 CO 0.05 -0.34 0.48 -0.70 0.00 0.00 0.00 175.10 174.59 3kjk s GLU 96 N -1.20 4.09 -0.23 2.72 2.12 -1.26 -0.59 118.70 124.35 3kjk s GLU 96 Ca -0.13 0.28 -0.17 0.00 0.36 0.00 0.00 54.97 55.31 3kjk s GLU 96 Cb -0.07 -3.62 0.07 0.00 0.26 0.00 0.00 34.13 30.76 3kjk s GLU 96 CO 0.01 -0.26 0.59 0.00 -0.54 0.00 0.00 175.26 175.06 3kjk s ALA 97 N 2.03 -1.53 0.58 6.30 0.00 0.13 -4.91 121.76 124.36 3kjk s ALA 97 Ca 0.20 1.91 -0.18 0.00 0.00 0.00 0.00 51.96 53.89 3kjk s ALA 97 Cb -0.15 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 3kjk s ALA 97 CO 0.09 -0.31 1.15 1.03 0.00 0.00 0.00 175.76 177.72 3kjk s ARG 98 N 0.99 3.13 0.50 0.00 0.52 -1.26 -3.36 118.95 119.46 3kjk s ARG 98 Ca -0.05 1.64 0.03 0.00 -0.52 0.00 0.00 55.73 56.83 3kjk s ARG 98 Cb -0.05 -1.97 0.03 0.00 0.52 0.00 0.00 34.95 33.48 3kjk s ARG 98 CO -0.09 -1.04 0.28 1.28 0.02 0.00 0.00 175.30 175.75 3kjk n LEU 99 N -1.60 0.00 0.23 2.53 4.77 -1.26 -5.00 117.00 116.67 3kjk n LEU 99 Ca 0.12 -2.74 0.06 0.00 -0.03 0.00 0.00 56.01 53.42 3kjk n LEU 99 Cb 0.51 0.06 0.55 0.00 -2.33 0.00 0.00 43.42 42.21 3kjk n LEU 99 CO 0.44 -0.52 0.98 0.00 -1.33 0.00 0.00 177.39 176.95 3kjk h ALA 100 N 0.83 1.82 -4.03 -1.18 0.00 -1.96 -3.41 119.26 111.33 3kjk h ALA 100 Ca -0.34 -0.09 -0.58 0.00 0.00 0.00 0.00 54.91 53.89 3kjk h ALA 100 Cb 1.18 -0.02 -0.25 0.00 0.00 0.00 0.00 17.79 18.70 3kjk h ALA 100 CO 0.55 0.14 -0.84 1.03 0.00 0.00 0.00 179.25 180.12 3kjk s ARG 101 N -4.84 1.37 0.50 0.00 0.52 -1.26 -5.05 118.95 110.19 3kjk s ARG 101 Ca -0.05 -0.96 0.22 0.00 -0.52 0.00 0.00 55.73 54.43 3kjk s ARG 101 Cb 0.16 -1.49 1.31 0.00 0.52 0.00 0.00 34.95 35.45 3kjk s ARG 101 CO 0.69 0.38 2.07 -1.35 0.02 0.00 0.00 175.30 177.10 3kjk h PRO 102 N 4.81 0.00 0.00 3.54 0.11 -2.03 -2.53 132.00 135.90 3kjk h PRO 102 Ca -0.43 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 3kjk h PRO 102 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kjk h PRO 102 CO 0.43 0.13 -0.13 0.93 -0.21 0.00 0.00 178.00 179.16 3kjk h GLU 103 N 0.00 0.00 -6.07 1.05 3.07 -1.96 -3.43 114.58 107.24 3kjk h GLU 103 Ca -0.00 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 58.28 3kjk h GLU 103 Cb 0.28 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.12 3kjk h GLU 103 CO 0.02 0.13 0.76 -1.58 -1.40 0.00 0.00 179.01 176.93 3kjk s TRP 104 N -3.92 3.31 -0.47 4.33 0.51 -0.96 -4.92 118.94 116.83 3kjk s TRP 104 Ca -0.01 1.38 0.22 0.00 -2.12 0.00 0.00 56.10 55.57 3kjk s TRP 104 Cb 0.11 -3.29 -0.16 0.00 -0.81 0.00 0.00 33.47 29.32 3kjk s TRP 104 CO 0.58 -0.51 0.80 0.54 -0.51 0.00 0.00 176.95 177.85 3kjk n ARG 105 N 6.35 0.37 -3.69 4.98 1.74 -1.26 -4.64 116.66 120.51 3kjk n ARG 105 Ca 0.11 -0.07 -0.12 0.00 -0.77 0.00 0.00 57.85 57.00 3kjk n ARG 105 Cb 0.46 -1.56 -0.09 0.00 -1.02 0.00 0.00 32.46 30.26 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 -3.28 -0.01 -0.01 1.55 0.11 -1.26 -1.50 120.40 116.01 3kjk s VAL 106 Ca 0.00 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.09 3kjk s VAL 106 Cb 0.14 -0.74 -0.00 0.00 -1.53 0.00 0.00 36.38 34.25 3kjk s VAL 106 CO 0.86 0.01 -0.06 -0.70 -3.33 0.00 0.00 175.10 171.87 3kjk s GLU 107 N 0.67 0.60 -0.08 1.54 2.12 -0.04 -4.26 118.70 119.24 3kjk s GLU 107 Ca -0.03 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.10 3kjk s GLU 107 Cb -0.05 -0.59 0.02 0.00 0.26 0.00 0.00 34.13 33.77 3kjk s GLU 107 CO -0.04 0.11 -0.11 0.42 -0.54 0.00 0.00 175.26 175.09 3kjk s ILE 108 N 0.03 1.14 -0.22 -3.70 1.01 -1.26 -0.31 121.20 117.90 3kjk s ILE 108 Ca 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 60.65 60.16 3kjk s ILE 108 Cb -0.05 -1.07 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 3kjk s ILE 108 CO -0.00 0.37 -0.04 -0.75 0.00 0.00 0.00 174.94 174.51 3kjk s LYS 109 N 0.95 3.38 -0.02 2.79 2.20 -0.31 -4.49 119.74 124.24 3kjk s LYS 109 Ca -0.09 -0.63 0.01 0.00 -0.36 0.00 0.00 55.97 54.91 3kjk s LYS 109 Cb -0.15 -3.00 -0.03 0.00 -1.51 0.00 0.00 37.83 33.14 3kjk s LYS 109 CO 0.00 -0.19 -0.03 0.42 -0.36 0.00 0.00 175.35 175.20 3kjk s ILE 110 N 1.45 3.99 -0.11 5.43 -1.09 -1.26 -1.49 121.20 128.11 3kjk s ILE 110 Ca 0.05 -0.58 0.02 0.00 -2.23 0.00 0.00 60.65 57.92 3kjk s ILE 110 Cb -0.14 -2.73 0.01 0.00 -1.58 0.00 0.00 42.46 38.02 3kjk s ILE 110 CO -0.03 0.44 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.06 3kjk s THR 111 N -1.00 1.67 0.30 2.92 2.01 0.01 -1.64 115.64 119.91 3kjk s THR 111 Ca 0.17 -0.75 0.05 0.00 0.31 0.00 0.00 61.69 61.48 3kjk s THR 111 Cb -0.11 -1.50 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 3kjk s THR 111 CO 0.07 0.47 0.19 0.00 -0.69 0.00 0.00 174.62 174.66 3kjk n ALA 112 N 4.12 0.55 -2.74 7.40 0.00 0.42 -0.29 120.51 129.96 3kjk n ALA 112 Ca -0.19 -1.66 -0.17 0.00 0.00 0.00 0.00 53.44 51.41 3kjk n ALA 112 Cb 0.51 1.25 -0.13 0.00 0.00 0.00 0.00 19.45 21.09 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 -3.01 0.77 0.48 0.00 0.11 -0.89 -0.23 120.40 117.62 3kjk s VAL 113 Ca 0.27 -0.83 -0.22 0.00 -2.93 0.00 0.00 61.98 58.27 3kjk s VAL 113 Cb 0.01 -0.72 -0.07 0.00 -1.53 0.00 0.00 36.38 34.07 3kjk s VAL 113 CO 0.19 -0.08 1.17 -0.54 -3.33 0.00 0.00 175.10 172.51 3kjk s LYS 114 N -1.01 3.66 0.25 1.54 1.02 0.13 -4.68 119.74 120.66 3kjk s LYS 114 Ca -0.02 1.76 -0.30 0.00 0.02 0.00 0.00 55.97 57.44 3kjk s LYS 114 Cb -0.07 -2.33 -0.09 0.00 -0.52 0.00 0.00 37.83 34.82 3kjk s LYS 114 CO 0.01 -0.63 1.18 1.03 -0.92 0.00 0.00 175.35 176.01 3kjk s ARG 115 N -2.81 4.53 0.00 1.68 0.52 -0.70 -5.01 118.95 117.16 3kjk s ARG 115 Ca 0.66 1.91 0.30 0.00 -0.52 0.00 0.00 55.73 58.07 3kjk s ARG 115 Cb -0.28 -3.19 1.45 0.00 0.52 0.00 0.00 34.95 33.45 3kjk s ARG 115 CO 0.34 0.02 1.97 -0.25 0.02 0.00 0.00 175.30 177.40