#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 5.00 -0.11 0.53 1.01 -1.26 -4.31 121.20 122.06 3kjk s ILE 3 Ca 0.00 1.02 0.01 0.00 0.00 0.00 0.00 60.65 61.68 3kjk s ILE 3 Cb 0.00 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 3kjk s ILE 3 CO 0.00 0.46 -0.15 -0.60 0.00 0.00 0.00 174.94 174.65 3kjk s ARG 4 N -0.38 3.20 -0.13 2.79 3.52 0.35 -4.99 118.95 123.31 3kjk s ARG 4 Ca 0.27 -0.73 -0.04 0.00 -0.13 0.00 0.00 55.73 55.10 3kjk s ARG 4 Cb -0.17 -2.53 -0.03 0.00 -1.56 0.00 0.00 34.95 30.66 3kjk s ARG 4 CO 0.14 0.26 0.01 0.71 -0.81 0.00 0.00 175.30 175.62 3kjk s TYR 5 N 0.20 3.17 -0.08 5.12 2.02 -1.26 -1.30 117.35 125.22 3kjk s TYR 5 Ca -0.09 0.05 0.05 0.00 -0.37 0.00 0.00 57.07 56.71 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 0.06 0.27 -0.24 -0.06 -1.57 0.00 0.00 175.55 174.01 3kjk s PHE 6 N -0.26 2.48 -1.31 2.71 0.08 0.65 -4.78 117.98 117.55 3kjk s PHE 6 Ca 0.06 -0.89 -0.04 0.00 0.12 0.00 0.00 56.93 56.18 3kjk s PHE 6 Cb -0.12 -1.64 0.01 0.00 -0.57 0.00 0.00 43.02 40.70 3kjk s PHE 6 CO 0.02 -0.32 0.97 0.41 -0.10 0.00 0.00 175.22 176.20 3kjk n GLY 7 N 3.26 -0.41 3.71 4.36 0.00 -1.26 -1.27 105.19 113.58 3kjk n GLY 7 Ca -0.18 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.42 3.60 0.51 2.61 2.01 -1.26 -2.67 115.64 117.02 3kjk s THR 8 Ca 0.24 1.12 0.03 0.00 0.31 0.00 0.00 61.69 63.39 3kjk s THR 8 Cb -0.11 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 3kjk s THR 8 CO 0.76 0.07 0.12 0.42 -0.69 0.00 0.00 174.62 175.30 3kjk s THR 9 N 1.40 1.43 0.53 -0.82 -4.23 0.40 -4.97 115.64 109.37 3kjk s THR 9 Ca 0.63 -1.84 0.42 0.00 -1.18 0.00 0.00 61.69 59.72 3kjk s THR 9 Cb -0.33 -2.27 0.43 0.00 1.34 0.00 0.00 72.50 71.67 3kjk s THR 9 CO 0.29 0.00 2.28 -0.65 -0.54 0.00 0.00 174.62 176.00 3kjk h PRO 10 N 1.22 0.00 0.00 3.99 0.11 -2.05 -3.28 132.00 131.99 3kjk h PRO 10 Ca -0.42 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.39 3kjk h PRO 10 Cb 1.30 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.36 3kjk h PRO 10 CO 0.70 0.00 -2.15 -2.13 -0.21 0.00 0.00 178.00 174.21 3kjk n ARG 11 N -3.07 0.88 -3.49 1.05 0.63 -1.26 -5.08 116.66 106.32 3kjk n ARG 11 Ca -0.02 0.06 -0.10 0.00 -0.92 0.00 0.00 57.85 56.88 3kjk n ARG 11 Cb 0.12 -1.41 -0.02 0.00 0.45 0.00 0.00 32.46 31.60 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 -2.40 -0.42 -0.09 -0.14 -0.85 -1.24 -5.16 117.35 107.05 3kjk s TYR 12 Ca -0.19 0.22 -0.03 0.00 -0.52 0.00 0.00 57.07 56.55 3kjk s TYR 12 Cb 0.06 0.56 -0.03 0.00 0.38 0.00 0.00 41.96 42.93 3kjk s TYR 12 CO 0.56 -0.73 0.03 -1.12 -1.52 0.00 0.00 175.55 172.77 3kjk s SER 13 N -2.65 5.48 0.34 -0.18 0.01 -1.26 -0.45 113.70 114.99 3kjk s SER 13 Ca 0.04 0.21 0.04 0.00 1.31 0.00 0.00 55.95 57.55 3kjk s SER 13 Cb -0.01 -1.60 0.66 0.00 0.21 0.00 0.00 66.02 65.28 3kjk s SER 13 CO -0.10 0.38 1.96 -0.33 0.41 0.00 0.00 173.24 175.57 3kjk h GLU 14 N 5.11 0.83 -3.29 12.44 4.39 -0.95 -3.37 114.58 129.73 3kjk h GLU 14 Ca -0.52 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 58.99 3kjk h GLU 14 Cb 1.20 -0.19 -0.21 0.00 -0.10 0.00 0.00 28.75 29.45 3kjk h GLU 14 CO 0.55 0.55 -0.41 0.00 -1.16 0.00 0.00 179.01 178.54 3kjk s ALA 15 N -5.75 -0.52 -0.07 3.43 0.00 -0.78 -1.07 121.76 117.00 3kjk s ALA 15 Ca -0.10 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.01 3kjk s ALA 15 Cb 0.19 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.35 3kjk s ALA 15 CO 0.78 -0.21 -0.04 0.08 0.00 0.00 0.00 175.76 176.36 3kjk s VAL 16 N -1.12 0.66 -0.07 0.00 1.01 -0.14 -0.26 120.40 120.48 3kjk s VAL 16 Ca -0.12 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.77 3kjk s VAL 16 Cb -0.06 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 3kjk s VAL 16 CO 0.02 0.28 -0.15 -0.83 0.00 0.00 0.00 175.10 174.43 3kjk s GLY 17 N 1.43 1.51 -0.11 4.51 0.00 -0.42 -0.60 107.32 113.63 3kjk s GLY 17 Ca -0.02 -0.96 -0.09 0.00 0.00 0.00 0.00 44.72 43.65 3kjk s GLY 17 CO -0.03 -0.59 0.29 0.00 0.00 0.00 0.00 173.10 172.77 3kjk s ALA 18 N -0.35 -0.72 -1.52 3.20 0.00 -0.36 -0.49 121.76 121.51 3kjk s ALA 18 Ca 0.03 0.94 -0.06 0.00 0.00 0.00 0.00 51.96 52.88 3kjk s ALA 18 Cb -0.12 -0.56 0.05 0.00 0.00 0.00 0.00 23.12 22.48 3kjk s ALA 18 CO 0.02 -0.16 0.44 -1.71 0.00 0.00 0.00 175.76 174.35 3kjk n ASN 19 N 3.36 -0.88 0.00 0.00 5.15 -1.26 -0.46 115.26 121.17 3kjk n ASN 19 Ca -0.17 -1.07 0.00 0.00 -0.60 0.00 0.00 54.58 52.75 3kjk n ASN 19 Cb 0.57 -2.66 0.00 0.00 -0.53 0.00 0.00 39.78 37.16 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 -1.92 2.26 3.88 8.20 0.00 -1.26 -5.01 105.19 111.34 3kjk n GLY 20 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 4.19 -0.07 0.99 1.43 0.39 -1.63 118.68 123.99 3kjk s LEU 21 Ca 0.00 0.81 -0.01 0.00 -1.03 0.00 0.00 54.13 53.90 3kjk s LEU 21 Cb 0.00 -3.56 0.03 0.00 0.03 0.00 0.00 46.19 42.69 3kjk s LEU 21 CO 0.00 -0.04 -0.01 -0.63 0.23 0.00 0.00 176.35 175.90 3kjk s ILE 22 N -1.78 0.47 -0.27 -0.59 1.01 0.77 -1.23 121.20 119.58 3kjk s ILE 22 Ca 0.45 0.05 -0.05 0.00 0.00 0.00 0.00 60.65 61.10 3kjk s ILE 22 Cb -0.11 -0.59 0.01 0.00 0.01 0.00 0.00 42.46 41.77 3kjk s ILE 22 CO 0.23 0.27 0.03 -0.36 0.00 0.00 0.00 174.94 175.10 3kjk s PHE 23 N 1.83 3.09 0.18 3.97 0.08 0.23 -0.67 117.98 126.69 3kjk s PHE 23 Ca 0.03 -1.04 -0.15 0.00 0.12 0.00 0.00 56.93 55.89 3kjk s PHE 23 Cb -0.12 -2.18 -0.07 0.00 -0.57 0.00 0.00 43.02 40.07 3kjk s PHE 23 CO -0.05 -0.58 0.60 -0.51 -0.10 0.00 0.00 175.22 174.58 3kjk s LEU 24 N 1.47 4.31 1.02 -0.37 1.43 -0.53 -0.97 118.68 125.04 3kjk s LEU 24 Ca 0.03 1.15 -0.12 0.00 -1.03 0.00 0.00 54.13 54.16 3kjk s LEU 24 Cb -0.16 -3.43 0.16 0.00 0.03 0.00 0.00 46.19 42.80 3kjk s LEU 24 CO -0.00 0.05 0.85 -1.20 0.23 0.00 0.00 176.35 176.28 3kjk n SER 25 N 0.63 -1.00 -3.68 2.29 7.64 -0.23 -4.22 113.62 115.06 3kjk n SER 25 Ca -0.04 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.02 3kjk n SER 25 Cb 0.52 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 3kjk n SER 25 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kjk n GLY 26 N 0.90 -3.46 0.00 0.23 0.00 -1.26 -4.55 105.19 97.04 3kjk n GLY 26 Ca 0.07 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3kjk n GLY 26 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kjk n VAL 28 N -1.55 0.00 -2.14 1.61 0.24 -1.26 -4.92 118.33 110.31 3kjk n VAL 28 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 3kjk n VAL 28 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 3kjk n VAL 28 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 3kjk s PRO 29 N -2.00 4.36 -0.01 7.34 0.02 -1.26 -4.81 135.00 138.64 3kjk s PRO 29 Ca 0.00 2.17 0.14 0.00 0.02 0.00 0.00 61.00 63.32 3kjk s PRO 29 Cb 0.00 -3.13 -0.18 0.00 0.02 0.00 0.00 34.50 31.22 3kjk s PRO 29 CO 0.00 -0.25 0.47 0.39 -0.33 0.00 0.00 177.00 177.28 3kjk n GLU 30 N 1.84 1.68 -3.95 5.54 1.02 -1.26 -5.01 120.64 120.49 3kjk n GLU 30 Ca 0.04 -0.05 -0.08 0.00 -0.02 0.00 0.00 57.16 57.04 3kjk n GLU 30 Cb 0.42 -1.22 -0.09 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 -2.81 0.25 0.00 1.62 0.01 -1.26 -5.14 114.94 107.61 3kjk s ASN 31 Ca 0.01 -0.72 0.00 0.00 -0.71 0.00 0.00 52.86 51.45 3kjk s ASN 31 Cb 0.10 0.26 0.00 0.00 0.41 0.00 0.00 41.25 42.01 3kjk s ASN 31 CO 0.57 -0.61 0.00 0.61 -1.51 0.00 0.00 177.10 176.16 3kjk n GLY 32 N 0.29 0.26 0.45 0.66 0.00 -1.26 -4.07 105.19 101.51 3kjk n GLY 32 Ca -0.16 -1.72 -0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 0.37 0.01 -1.73 1.61 1.02 -1.26 -4.73 120.64 115.92 3kjk n GLU 33 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 3kjk n GLU 33 Cb 0.00 -0.78 0.03 0.00 -0.02 0.00 0.00 31.44 30.67 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 -2.01 4.30 0.31 2.62 -4.23 -1.26 -4.86 115.64 110.51 3kjk s THR 34 Ca -0.00 0.77 0.02 0.00 -1.18 0.00 0.00 61.69 61.29 3kjk s THR 34 Cb 0.00 -3.59 0.28 0.00 1.34 0.00 0.00 72.50 70.53 3kjk s THR 34 CO 0.01 -0.96 1.91 0.00 -0.54 0.00 0.00 174.62 175.04 3kjk h ALA 35 N -0.47 1.55 -0.32 3.99 0.00 -1.95 -0.98 119.26 121.08 3kjk h ALA 35 Ca -0.44 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 3kjk h ALA 35 Cb 1.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3kjk h ALA 35 CO 0.59 0.30 0.02 0.00 0.00 0.00 0.00 179.25 180.17 3kjk h ALA 36 N 1.52 0.43 0.05 0.00 0.00 -1.93 0.05 119.26 119.39 3kjk h ALA 36 Ca 0.40 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kjk h ALA 36 Cb 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kjk h ALA 36 CO -0.16 0.16 -0.03 0.93 0.00 0.00 0.00 179.25 180.16 3kjk h GLU 37 N 0.36 -0.07 -0.57 0.00 5.08 -1.82 -2.21 114.58 115.36 3kjk h GLU 37 Ca 0.09 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 3kjk h GLU 37 Cb 0.40 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3kjk h GLU 37 CO 0.01 0.15 0.09 1.96 -1.00 0.00 0.00 179.01 180.22 3kjk h GLN 38 N -0.28 0.90 0.08 2.33 4.20 -1.24 -1.77 115.11 119.33 3kjk h GLN 38 Ca -0.01 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.49 3kjk h GLN 38 Cb 0.25 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3kjk h GLN 38 CO 0.01 0.84 -0.08 1.15 -0.67 0.00 0.00 178.83 180.08 3kjk h THR 39 N 0.86 0.82 -0.68 -0.54 2.02 -0.94 0.21 112.91 114.65 3kjk h THR 39 Ca 0.18 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.50 3kjk h THR 39 Cb 0.37 0.82 -0.11 0.00 -1.74 0.00 0.00 68.15 67.49 3kjk h THR 39 CO 0.01 0.00 0.09 0.00 0.37 0.00 0.00 175.52 175.99 3kjk h ALA 40 N 0.74 0.78 -0.43 6.16 0.00 -1.18 0.10 119.26 125.43 3kjk h ALA 40 Ca 0.01 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3kjk h ALA 40 Cb 0.17 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3kjk h ALA 40 CO -0.03 -0.36 0.08 0.22 0.00 0.00 0.00 179.25 179.16 3kjk h ASP 41 N 0.19 0.67 -0.54 0.00 3.58 -1.01 -1.99 116.42 117.33 3kjk h ASP 41 Ca 0.37 -0.25 -0.03 0.00 0.42 0.00 0.00 57.03 57.53 3kjk h ASP 41 Cb 0.61 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 3kjk h ASP 41 CO -0.52 0.75 0.20 0.58 -2.88 0.00 0.00 179.24 177.37 3kjk h VAL 42 N 0.57 1.22 -0.21 2.25 2.07 -0.21 -2.25 116.25 119.69 3kjk h VAL 42 Ca 0.13 -0.71 -0.10 0.00 0.82 0.00 0.00 66.70 66.84 3kjk h VAL 42 Cb 0.35 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3kjk h VAL 42 CO 0.01 0.27 -0.30 -0.07 0.02 0.00 0.00 177.57 177.49 3kjk h LEU 43 N 0.74 0.43 -0.99 2.57 3.38 -0.76 -1.70 115.31 118.98 3kjk h LEU 43 Ca 0.18 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3kjk h LEU 43 Cb 0.22 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3kjk h LEU 43 CO -0.01 0.72 0.44 0.00 0.09 0.00 0.00 178.44 179.68 3kjk h ALA 44 N 1.31 1.22 -0.30 1.53 0.00 -1.17 0.24 119.26 122.08 3kjk h ALA 44 Ca 0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3kjk h ALA 44 Cb 0.72 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3kjk h ALA 44 CO 0.06 0.62 0.08 1.96 0.00 0.00 0.00 179.25 181.97 3kjk h GLN 45 N 1.16 0.48 -0.48 0.00 4.20 -0.99 -2.02 115.11 117.46 3kjk h GLN 45 Ca 0.29 -0.11 0.07 0.00 0.06 0.00 0.00 58.65 58.96 3kjk h GLN 45 Cb 0.04 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.70 3kjk h GLN 45 CO -0.05 0.54 0.17 0.82 -0.67 0.00 0.00 178.83 179.64 3kjk h ILE 46 N 0.33 0.83 -0.97 2.54 2.04 -1.01 -1.67 117.51 119.60 3kjk h ILE 46 Ca 0.10 -0.12 0.08 0.00 1.00 0.00 0.00 64.86 65.92 3kjk h ILE 46 Cb 0.27 0.47 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 3kjk h ILE 46 CO -0.00 0.06 0.63 0.44 0.00 0.00 0.00 178.15 179.28 3kjk h ASP 47 N 0.34 0.96 0.88 1.72 3.32 -0.79 -0.77 116.42 122.09 3kjk h ASP 47 Ca 0.23 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 3kjk h ASP 47 Cb 0.24 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3kjk h ASP 47 CO -0.24 0.59 -0.49 0.03 -1.72 0.00 0.00 179.24 177.40 3kjk h ARG 48 N 1.07 -1.23 -0.19 3.56 3.08 -0.61 -2.56 114.38 117.51 3kjk h ARG 48 Ca 0.44 0.08 -0.10 0.00 0.07 0.00 0.00 59.98 60.47 3kjk h ARG 48 Cb 0.28 0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3kjk h ARG 48 CO -0.19 -0.82 -0.32 -1.49 -1.07 0.00 0.00 179.97 176.08 3kjk h TRP 49 N -1.27 0.43 -0.24 3.04 4.06 -1.05 -0.67 115.95 120.24 3kjk h TRP 49 Ca -0.12 -0.10 0.01 0.00 2.06 0.00 0.00 58.89 60.74 3kjk h TRP 49 Cb 1.00 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 29.04 3kjk h TRP 49 CO -0.07 0.66 0.12 -0.07 -3.56 0.00 0.00 178.44 175.53 3kjk h LEU 50 N 0.33 0.19 -0.48 -4.49 3.38 -1.21 -0.21 115.31 112.82 3kjk h LEU 50 Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kjk h LEU 50 Cb 0.73 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3kjk h LEU 50 CO 0.06 0.14 0.31 0.00 0.09 0.00 0.00 178.44 179.03 3kjk h ALA 51 N 1.12 0.61 -0.99 1.53 0.00 -0.98 0.70 119.26 121.25 3kjk h ALA 51 Ca 0.10 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.07 3kjk h ALA 51 Cb 0.02 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.54 3kjk h ALA 51 CO -0.07 0.07 0.63 0.93 0.00 0.00 0.00 179.25 180.81 3kjk h GLU 52 N 0.64 0.98 -0.04 0.00 4.39 -0.94 -2.19 114.58 117.43 3kjk h GLU 52 Ca 0.17 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3kjk h GLU 52 Cb -0.05 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.38 3kjk h GLU 52 CO -0.04 0.65 0.00 0.00 -1.16 0.00 0.00 179.01 178.46 3kjk n GLY 54 N 1.11 0.54 1.56 0.00 0.00 -0.64 -4.81 105.19 102.96 3kjk n GLY 54 Ca 0.19 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 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 1.73 1.67 -3.04 1.61 2.88 0.24 -2.37 113.62 116.34 3kjk n SER 55 Ca 0.00 -1.99 -0.07 0.00 -1.33 0.00 0.00 58.87 55.48 3kjk n SER 55 Cb 0.27 0.35 0.02 0.00 -0.75 0.00 0.00 64.21 64.11 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 -2.18 0.00 0.57 -3.46 1.47 -1.26 -2.97 116.67 108.84 3kjk s ASP 56 Ca 0.06 -1.02 0.33 0.00 1.18 0.00 0.00 52.55 53.10 3kjk s ASP 56 Cb 0.00 0.76 1.72 0.00 -0.34 0.00 0.00 42.92 45.06 3kjk s ASP 56 CO 0.04 -1.51 2.15 0.07 0.68 0.00 0.00 175.17 176.60 3kjk h LYS 57 N 2.00 0.00 -0.06 2.11 2.10 -1.95 0.19 116.57 120.97 3kjk h LYS 57 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 3kjk h LYS 57 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3kjk h LYS 57 CO 0.39 0.06 0.00 0.00 -2.00 0.00 0.00 179.45 177.90 3kjk n ALA 58 N -2.19 2.57 -1.70 0.07 0.00 -1.26 -3.37 120.51 114.63 3kjk n ALA 58 Ca -0.02 -0.24 0.06 0.00 0.00 0.00 0.00 53.44 53.24 3kjk n ALA 58 Cb 0.20 -1.20 0.12 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.40 0.00 -3.01 0.00 8.25 0.05 -5.00 115.22 115.11 3kjk n HIS 59 Ca 0.13 -0.92 -0.40 0.00 -0.26 0.00 0.00 57.72 56.27 3kjk n HIS 59 Cb 0.14 -0.17 -0.05 0.00 1.12 0.00 0.00 29.99 31.03 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 -1.98 4.61 -0.24 1.59 1.01 -1.22 -1.57 120.40 122.61 3kjk s VAL 60 Ca 0.30 1.61 0.01 0.00 0.00 0.00 0.00 61.98 63.90 3kjk s VAL 60 Cb 0.29 -4.10 -0.18 0.00 0.00 0.00 0.00 36.38 32.39 3kjk s VAL 60 CO -0.05 0.43 -0.15 0.18 0.00 0.00 0.00 175.10 175.51 3kjk n LEU 61 N 2.32 2.87 -3.74 3.92 4.77 0.36 -4.46 117.00 123.03 3kjk n LEU 61 Ca -0.04 -0.09 -0.12 0.00 -0.03 0.00 0.00 56.01 55.72 3kjk n LEU 61 Cb 0.50 -0.90 -0.11 0.00 -2.33 0.00 0.00 43.42 40.58 3kjk n LEU 61 CO 0.46 0.92 0.03 -0.62 -1.33 0.00 0.00 177.39 176.85 3kjk s ASP 62 N -6.56 -0.40 -0.03 -1.43 2.15 -0.87 -0.89 116.67 108.64 3kjk s ASP 62 Ca -0.33 0.75 -0.01 0.00 0.43 0.00 0.00 52.55 53.39 3kjk s ASP 62 Cb 0.09 0.72 0.03 0.00 -0.30 0.00 0.00 42.92 43.46 3kjk s ASP 62 CO 0.63 -0.14 0.04 0.00 -0.17 0.00 0.00 175.17 175.52 3kjk s ALA 63 N 0.52 0.12 -0.20 3.66 0.00 0.33 -1.37 121.76 124.82 3kjk s ALA 63 Ca -0.03 0.28 -0.04 0.00 0.00 0.00 0.00 51.96 52.17 3kjk s ALA 63 Cb -0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 3kjk s ALA 63 CO -0.03 -0.23 -0.02 0.08 0.00 0.00 0.00 175.76 175.55 3kjk s VAL 64 N 1.43 3.70 -0.25 0.00 1.01 -0.42 -1.70 120.40 124.17 3kjk s VAL 64 Ca -0.05 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 3kjk s VAL 64 Cb -0.13 -2.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.58 3kjk s VAL 64 CO -0.03 0.43 0.02 -0.63 0.00 0.00 0.00 175.10 174.90 3kjk s ILE 65 N 1.09 3.74 -0.29 2.22 1.01 0.56 -0.76 121.20 128.77 3kjk s ILE 65 Ca 0.02 -0.53 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 3kjk s ILE 65 Cb -0.14 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 3kjk s ILE 65 CO 0.01 0.27 0.18 -0.31 0.00 0.00 0.00 174.94 175.09 3kjk s TYR 66 N 1.50 3.20 -0.10 3.97 2.02 0.51 -1.02 117.35 127.43 3kjk s TYR 66 Ca 0.04 -0.11 -0.03 0.00 -0.37 0.00 0.00 57.07 56.60 3kjk s TYR 66 Cb -0.16 -2.38 -0.03 0.00 -0.40 0.00 0.00 41.96 38.99 3kjk s TYR 66 CO 0.00 -0.27 0.04 -0.51 -1.57 0.00 0.00 175.55 173.24 3kjk s LEU 67 N 1.71 3.78 0.17 -1.29 1.43 -0.18 -1.14 118.68 123.18 3kjk s LEU 67 Ca 0.06 0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.27 3kjk s LEU 67 Cb -0.16 -1.88 0.08 0.00 0.03 0.00 0.00 46.19 44.25 3kjk s LEU 67 CO 0.09 0.38 1.73 -0.09 0.23 0.00 0.00 176.35 178.69 3kjk h ARG 68 N 5.17 0.90 0.00 1.70 2.43 -1.33 0.16 114.38 123.41 3kjk h ARG 68 Ca -0.51 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 58.49 3kjk h ARG 68 Cb 1.20 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3kjk h ARG 68 CO 0.56 0.77 0.00 -3.47 -1.51 0.00 0.00 179.97 176.32 3kjk n ASP 69 N -4.46 0.36 0.00 -3.80 4.64 -1.26 -4.52 116.55 107.51 3kjk n ASP 69 Ca 0.04 -0.46 0.00 0.00 -1.38 0.00 0.00 54.79 52.99 3kjk n ASP 69 Cb 0.17 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.25 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 0.89 0.00 1.20 0.27 0.00 -1.26 -4.47 105.19 101.83 3kjk n GLY 71 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 3.51 0.27 1.61 8.00 -1.26 -4.65 116.55 124.03 3kjk n ASP 72 Ca 0.00 -2.21 -0.16 0.00 0.71 0.00 0.00 54.79 53.13 3kjk n ASP 72 Cb 0.00 -0.46 -0.08 0.00 -0.02 0.00 0.00 41.12 40.56 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 3.26 -0.92 -0.64 1.24 3.20 -2.02 -3.04 116.97 118.06 3kjk h TYR 73 Ca 0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3kjk h TYR 73 Cb 1.02 0.34 -0.03 0.00 1.54 0.00 0.00 36.73 39.60 3kjk h TYR 73 CO 0.51 -0.50 0.19 0.00 -1.64 0.00 0.00 178.16 176.72 3kjk h ALA 74 N -0.36 1.13 0.00 1.82 0.00 -1.99 -0.73 119.26 119.12 3kjk h ALA 74 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3kjk h ALA 74 Cb 0.67 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3kjk h ALA 74 CO 0.00 0.60 0.00 -1.91 0.00 0.00 0.00 179.25 177.94 3kjk n GLU 75 N -4.27 0.27 0.00 0.00 2.13 -1.15 -1.45 120.64 116.17 3kjk n GLU 75 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 3kjk n GLU 75 Cb 0.22 -1.17 0.00 0.00 0.27 0.00 0.00 31.44 30.76 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 0.44 0.00 -0.20 4.31 3.02 -0.28 -3.51 115.26 119.04 3kjk n ASN 77 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3kjk n ASN 77 Cb 0.08 0.00 0.11 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 0.82 0.56 7.41 0.00 -1.51 0.44 103.07 110.78 3kjk h GLY 78 Ca 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 3kjk h GLY 78 CO 0.00 -0.04 -0.27 -2.08 0.00 0.00 0.00 176.54 174.15 3kjk h VAL 79 N 0.36 1.48 -0.23 4.60 2.07 -1.85 -3.12 116.25 119.57 3kjk h VAL 79 Ca 0.30 -1.81 0.05 0.00 0.82 0.00 0.00 66.70 66.07 3kjk h VAL 79 Cb 0.40 2.55 -0.06 0.00 -1.52 0.00 0.00 31.29 32.66 3kjk h VAL 79 CO -0.33 0.50 -0.13 -0.25 0.02 0.00 0.00 177.57 177.38 3kjk h TRP 80 N -0.35 -0.33 -0.88 1.57 2.91 -1.82 -1.97 115.95 115.07 3kjk h TRP 80 Ca -0.03 0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.06 3kjk h TRP 80 Cb 0.96 0.18 -0.05 0.00 -0.51 0.00 0.00 29.16 29.74 3kjk h TRP 80 CO 0.15 -0.20 0.58 -0.44 -1.03 0.00 0.00 178.44 177.50 3kjk h ASP 81 N -0.12 0.94 1.26 2.65 5.19 -0.21 0.20 116.42 126.34 3kjk h ASP 81 Ca 0.13 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 3kjk h ASP 81 Cb 0.31 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.60 3kjk h ASP 81 CO -0.30 0.64 0.00 0.00 -3.12 0.00 0.00 179.24 176.46 3kjk n ALA 82 N -2.40 2.15 -0.04 3.45 0.00 -1.05 -3.89 120.51 118.72 3kjk n ALA 82 Ca 0.12 -0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.33 3kjk n ALA 82 Cb 0.12 -1.45 -0.13 0.00 0.00 0.00 0.00 19.45 17.99 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 -2.18 1.08 -1.72 0.00 -0.00 -0.03 -4.98 117.44 109.61 3kjk n TRP 83 Ca 0.05 0.31 -0.38 0.00 -0.00 0.00 0.00 57.50 57.47 3kjk n TRP 83 Cb 0.38 -1.13 0.04 0.00 -0.00 0.00 0.00 31.31 30.60 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 -3.84 3.84 -2.55 5.87 0.24 -0.67 -4.94 118.33 116.28 3kjk n VAL 84 Ca -0.34 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.04 3kjk n VAL 84 Cb 0.91 -1.55 -0.02 0.00 -1.47 0.00 0.00 33.84 31.71 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 -1.33 3.56 0.19 2.33 0.00 -1.26 -4.97 121.76 120.28 3kjk s ALA 85 Ca 0.73 0.16 -0.33 0.00 0.00 0.00 0.00 51.96 52.52 3kjk s ALA 85 Cb -0.42 -3.65 -0.14 0.00 0.00 0.00 0.00 23.12 18.90 3kjk s ALA 85 CO 0.48 -1.36 1.38 0.00 0.00 0.00 0.00 175.76 176.26 3kjk n ALA 86 N 6.83 0.54 -0.41 0.00 0.00 -1.26 -1.07 120.51 125.14 3kjk n ALA 86 Ca 0.13 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3kjk n ALA 86 Cb 0.46 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 2.41 2.06 2.51 0.00 0.00 -1.26 -4.80 105.19 106.11 3kjk n GLY 87 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 1.82 -2.54 1.61 1.74 -0.23 -5.10 116.66 111.95 3kjk n ARG 88 Ca 0.00 -3.43 -0.39 0.00 -0.77 0.00 0.00 57.85 53.26 3kjk n ARG 88 Cb 0.00 -1.53 -0.05 0.00 -1.02 0.00 0.00 32.46 29.87 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 -3.48 3.66 0.79 0.55 -4.23 -1.16 -4.61 115.64 107.16 3kjk s THR 89 Ca 0.32 1.55 -0.10 0.00 -1.18 0.00 0.00 61.69 62.28 3kjk s THR 89 Cb 0.34 -3.94 0.10 0.00 1.34 0.00 0.00 72.50 70.35 3kjk s THR 89 CO -0.04 0.28 1.13 -2.16 -0.54 0.00 0.00 174.62 173.28 3kjk s PRO 90 N -1.71 1.75 0.32 3.99 0.04 -1.26 -5.03 135.00 133.10 3kjk s PRO 90 Ca 0.48 -0.26 -0.29 0.00 0.04 0.00 0.00 61.00 60.97 3kjk s PRO 90 Cb -0.28 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.11 3kjk s PRO 90 CO 0.36 -1.61 1.35 0.00 0.04 0.00 0.00 177.00 177.13 3kjk s ALA 91 N -3.47 3.53 0.03 8.56 0.00 -0.07 -4.89 121.76 125.45 3kjk s ALA 91 Ca 0.64 1.31 0.02 0.00 0.00 0.00 0.00 51.96 53.93 3kjk s ALA 91 Cb -0.09 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 3kjk s ALA 91 CO 0.48 -0.71 -0.08 0.50 0.00 0.00 0.00 175.76 175.95 3kjk s ARG 92 N -1.58 0.54 -0.05 0.00 3.52 -1.26 -0.51 118.95 119.61 3kjk s ARG 92 Ca 0.51 -0.62 -0.04 0.00 -0.13 0.00 0.00 55.73 55.45 3kjk s ARG 92 Cb -0.41 -0.39 0.01 0.00 -1.56 0.00 0.00 34.95 32.61 3kjk s ARG 92 CO 0.52 0.08 0.13 0.00 -0.81 0.00 0.00 175.30 175.23 3kjk s ALA 93 N -1.02 -0.31 -0.05 6.12 0.00 -0.69 -4.98 121.76 120.83 3kjk s ALA 93 Ca -0.06 0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.31 3kjk s ALA 93 Cb -0.08 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.83 3kjk s ALA 93 CO 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 175.76 175.61 3kjk s VAL 95 N 0.76 0.07 -0.27 0.00 0.11 -0.19 -4.98 120.40 115.91 3kjk s VAL 95 Ca -0.13 -0.61 -0.18 0.00 -2.93 0.00 0.00 61.98 58.14 3kjk s VAL 95 Cb -0.15 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.07 3kjk s VAL 95 CO 0.02 -0.34 0.50 -0.70 -3.33 0.00 0.00 175.10 171.26 3kjk s GLU 96 N -1.55 4.05 -0.18 1.54 2.12 -1.26 -1.01 118.70 122.40 3kjk s GLU 96 Ca -0.13 0.28 -0.13 0.00 0.36 0.00 0.00 54.97 55.35 3kjk s GLU 96 Cb -0.05 -3.66 0.05 0.00 0.26 0.00 0.00 34.13 30.73 3kjk s GLU 96 CO 0.02 -0.36 0.46 0.00 -0.54 0.00 0.00 175.26 174.84 3kjk s ALA 97 N 2.29 -1.16 0.52 6.30 0.00 0.56 -4.91 121.76 125.36 3kjk s ALA 97 Ca 0.21 1.51 -0.22 0.00 0.00 0.00 0.00 51.96 53.46 3kjk s ALA 97 Cb -0.16 -0.90 -0.06 0.00 0.00 0.00 0.00 23.12 22.01 3kjk s ALA 97 CO 0.09 -0.26 1.22 1.03 0.00 0.00 0.00 175.76 177.85 3kjk s ARG 98 N 0.92 3.41 0.52 0.00 0.52 -1.26 -3.67 118.95 119.38 3kjk s ARG 98 Ca -0.05 1.90 0.05 0.00 -0.52 0.00 0.00 55.73 57.11 3kjk s ARG 98 Cb -0.06 -2.24 0.02 0.00 0.52 0.00 0.00 34.95 33.19 3kjk s ARG 98 CO -0.08 -0.88 0.33 -0.51 0.02 0.00 0.00 175.30 174.19 3kjk s LEU 99 N -3.42 2.75 0.60 2.53 1.43 -1.26 -5.02 118.68 116.28 3kjk s LEU 99 Ca 0.69 -1.24 0.35 0.00 -1.03 0.00 0.00 54.13 52.91 3kjk s LEU 99 Cb -0.32 -1.23 1.90 0.00 0.03 0.00 0.00 46.19 46.57 3kjk s LEU 99 CO 0.37 -0.98 2.22 0.00 0.23 0.00 0.00 176.35 178.19 3kjk h ALA 100 N 0.91 1.20 -4.17 4.21 0.00 -1.96 -3.41 119.26 116.04 3kjk h ALA 100 Ca -0.39 -0.03 -0.54 0.00 0.00 0.00 0.00 54.91 53.95 3kjk h ALA 100 Cb 1.30 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.80 3kjk h ALA 100 CO 0.60 0.04 -0.83 1.03 0.00 0.00 0.00 179.25 180.09 3kjk s ARG 101 N -4.22 1.35 0.46 0.00 0.52 -1.26 -5.05 118.95 110.75 3kjk s ARG 101 Ca -0.04 -0.73 0.12 0.00 -0.52 0.00 0.00 55.73 54.56 3kjk s ARG 101 Cb 0.13 -1.35 1.06 0.00 0.52 0.00 0.00 34.95 35.31 3kjk s ARG 101 CO 0.51 0.36 2.09 -1.35 0.02 0.00 0.00 175.30 176.93 3kjk h PRO 102 N 5.37 0.28 0.00 3.54 0.11 -2.03 -2.40 132.00 136.88 3kjk h PRO 102 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3kjk h PRO 102 Cb 1.16 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3kjk h PRO 102 CO 0.46 0.18 -0.06 0.39 -0.21 0.00 0.00 178.00 178.77 3kjk n GLU 103 N -4.50 0.13 -2.51 1.05 4.71 -1.26 -4.76 120.64 113.50 3kjk n GLU 103 Ca 0.01 0.10 -0.43 0.00 -0.01 0.00 0.00 57.16 56.83 3kjk n GLU 103 Cb 0.10 -1.64 -0.02 0.00 -1.01 0.00 0.00 31.44 28.87 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 -3.05 2.81 -0.42 -0.32 0.51 -0.90 -4.89 118.94 112.68 3kjk s TRP 104 Ca 0.12 0.91 0.23 0.00 -2.12 0.00 0.00 56.10 55.24 3kjk s TRP 104 Cb 0.16 -3.98 -0.02 0.00 -0.81 0.00 0.00 33.47 28.81 3kjk s TRP 104 CO 0.58 -1.39 0.95 0.54 -0.51 0.00 0.00 176.95 177.12 3kjk n ARG 105 N 7.36 0.43 -3.72 4.98 1.74 -1.26 -4.61 116.66 121.58 3kjk n ARG 105 Ca 0.14 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.09 3kjk n ARG 105 Cb 0.47 -1.65 -0.10 0.00 -1.02 0.00 0.00 32.46 30.17 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 -3.29 -0.00 -0.02 1.55 0.11 -1.26 -1.47 120.40 116.01 3kjk s VAL 106 Ca 0.01 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.08 3kjk s VAL 106 Cb 0.13 -0.62 0.01 0.00 -1.53 0.00 0.00 36.38 34.36 3kjk s VAL 106 CO 0.81 0.01 -0.05 -0.70 -3.33 0.00 0.00 175.10 171.84 3kjk s GLU 107 N 0.43 0.57 -0.09 1.54 2.12 -0.29 -4.20 118.70 118.78 3kjk s GLU 107 Ca -0.02 -0.14 0.03 0.00 0.36 0.00 0.00 54.97 55.20 3kjk s GLU 107 Cb -0.04 -0.58 0.01 0.00 0.26 0.00 0.00 34.13 33.78 3kjk s GLU 107 CO -0.02 0.03 -0.17 0.42 -0.54 0.00 0.00 175.26 174.98 3kjk s ILE 108 N 0.35 1.53 -0.17 -3.70 1.01 -1.26 -0.37 121.20 118.59 3kjk s ILE 108 Ca -0.04 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 3kjk s ILE 108 Cb -0.08 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 3kjk s ILE 108 CO -0.00 0.44 -0.11 -0.75 0.00 0.00 0.00 174.94 174.52 3kjk s LYS 109 N 0.64 3.31 -0.03 2.79 2.20 0.06 -4.50 119.74 124.21 3kjk s LYS 109 Ca -0.14 -0.69 0.06 0.00 -0.36 0.00 0.00 55.97 54.84 3kjk s LYS 109 Cb -0.16 -2.75 -0.02 0.00 -1.51 0.00 0.00 37.83 33.38 3kjk s LYS 109 CO 0.04 -0.01 -0.20 0.42 -0.36 0.00 0.00 175.35 175.24 3kjk s ILE 110 N 0.93 2.57 -0.07 5.43 -1.09 -1.26 -1.30 121.20 126.40 3kjk s ILE 110 Ca -0.02 -0.92 0.05 0.00 -2.23 0.00 0.00 60.65 57.52 3kjk s ILE 110 Cb -0.15 -1.96 -0.00 0.00 -1.58 0.00 0.00 42.46 38.77 3kjk s ILE 110 CO -0.01 0.58 -0.23 -0.89 -1.23 0.00 0.00 174.94 173.16 3kjk s THR 111 N -0.68 1.95 0.32 2.92 2.01 -0.47 -1.45 115.64 120.24 3kjk s THR 111 Ca 0.11 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 61.15 3kjk s THR 111 Cb -0.10 -1.67 -0.01 0.00 0.01 0.00 0.00 72.50 70.72 3kjk s THR 111 CO -0.00 0.54 0.36 0.00 -0.69 0.00 0.00 174.62 174.83 3kjk n ALA 112 N 3.23 0.17 -2.65 7.40 0.00 0.16 -0.49 120.51 128.32 3kjk n ALA 112 Ca -0.18 -1.66 -0.20 0.00 0.00 0.00 0.00 53.44 51.40 3kjk n ALA 112 Cb 0.52 1.34 -0.13 0.00 0.00 0.00 0.00 19.45 21.19 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 -3.02 1.18 0.43 0.00 0.11 -0.61 -0.17 120.40 118.33 3kjk s VAL 113 Ca 0.32 -1.16 -0.25 0.00 -2.93 0.00 0.00 61.98 57.96 3kjk s VAL 113 Cb 0.00 -1.09 -0.08 0.00 -1.53 0.00 0.00 36.38 33.68 3kjk s VAL 113 CO 0.23 -0.07 1.30 -0.54 -3.33 0.00 0.00 175.10 172.68 3kjk s LYS 114 N -1.42 3.84 0.48 1.54 1.02 -0.64 -4.64 119.74 119.92 3kjk s LYS 114 Ca 0.01 2.13 -0.23 0.00 0.02 0.00 0.00 55.97 57.90 3kjk s LYS 114 Cb -0.09 -2.66 -0.07 0.00 -0.52 0.00 0.00 37.83 34.50 3kjk s LYS 114 CO 0.02 -0.59 1.24 1.03 -0.92 0.00 0.00 175.35 176.13 3kjk s ARG 115 N -2.37 3.61 0.00 1.68 0.52 -1.00 -5.00 118.95 116.39 3kjk s ARG 115 Ca 0.59 1.95 0.00 0.00 -0.52 0.00 0.00 55.73 57.76 3kjk s ARG 115 Cb -0.37 -2.41 0.00 0.00 0.52 0.00 0.00 34.95 32.69 3kjk s ARG 115 CO 0.47 -0.73 0.00 -0.25 0.02 0.00 0.00 175.30 174.82 3kjk n ASP 116 N -0.56 0.00 0.00 0.23 10.43 -1.26 -5.00 116.55 120.38 3kjk n ASP 116 Ca 0.08 0.00 0.06 0.00 2.57 0.00 0.00 54.79 57.49 3kjk n ASP 116 Cb 0.47 0.00 0.34 0.00 1.84 0.00 0.00 41.12 43.77 3kjk n ASP 116 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13