#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 4.77 -0.06 0.53 1.01 -1.26 -4.50 121.20 121.69 3kjk s ILE 3 Ca 0.00 1.23 0.04 0.00 0.00 0.00 0.00 60.65 61.92 3kjk s ILE 3 Cb 0.00 -3.91 -0.00 0.00 0.01 0.00 0.00 42.46 38.56 3kjk s ILE 3 CO 0.00 0.52 -0.18 -0.60 0.00 0.00 0.00 174.94 174.68 3kjk s ARG 4 N -0.91 2.10 -0.17 2.79 3.52 -0.44 -5.01 118.95 120.83 3kjk s ARG 4 Ca 0.29 -0.66 -0.02 0.00 -0.13 0.00 0.00 55.73 55.21 3kjk s ARG 4 Cb -0.19 -1.74 -0.01 0.00 -1.56 0.00 0.00 34.95 31.45 3kjk s ARG 4 CO 0.19 0.21 -0.08 0.71 -0.81 0.00 0.00 175.30 175.52 3kjk s TYR 5 N 0.19 2.91 -0.11 5.12 2.02 -1.26 -1.34 117.35 124.88 3kjk s TYR 5 Ca -0.09 -0.72 -0.01 0.00 -0.37 0.00 0.00 57.07 55.89 3kjk s TYR 5 Cb -0.14 -1.97 -0.03 0.00 -0.40 0.00 0.00 41.96 39.42 3kjk s TYR 5 CO 0.04 -0.33 -0.07 -0.06 -1.57 0.00 0.00 175.55 173.56 3kjk s PHE 6 N 0.84 2.93 -1.16 2.71 0.08 0.32 -4.73 117.98 118.96 3kjk s PHE 6 Ca -0.02 -0.23 -0.05 0.00 0.12 0.00 0.00 56.93 56.74 3kjk s PHE 6 Cb -0.15 -1.82 -0.03 0.00 -0.57 0.00 0.00 43.02 40.45 3kjk s PHE 6 CO 0.01 0.09 0.88 0.41 -0.10 0.00 0.00 175.22 176.50 3kjk n GLY 7 N 2.95 -0.74 3.70 4.36 0.00 -1.26 -1.39 105.19 112.81 3kjk n GLY 7 Ca -0.18 0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.45 4.55 0.42 2.61 2.01 -1.26 -2.50 115.64 118.02 3kjk s THR 8 Ca 0.24 1.83 0.07 0.00 0.31 0.00 0.00 61.69 64.15 3kjk s THR 8 Cb -0.05 -4.18 -0.06 0.00 0.01 0.00 0.00 72.50 68.23 3kjk s THR 8 CO 0.77 0.10 0.13 0.42 -0.69 0.00 0.00 174.62 175.35 3kjk s THR 9 N 1.33 2.15 -0.26 -0.82 -4.23 0.81 -4.99 115.64 109.63 3kjk s THR 9 Ca 0.54 -1.79 0.19 0.00 -1.18 0.00 0.00 61.69 59.45 3kjk s THR 9 Cb -0.23 -2.94 0.19 0.00 1.34 0.00 0.00 72.50 70.86 3kjk s THR 9 CO 0.26 0.00 1.56 -2.65 -0.54 0.00 0.00 174.62 173.25 3kjk n PRO 10 N -1.18 0.12 -0.06 3.99 -0.02 -1.26 -3.43 135.00 133.17 3kjk n PRO 10 Ca -0.03 0.62 -0.08 0.00 -2.02 0.00 0.00 63.50 61.99 3kjk n PRO 10 Cb 0.65 -1.93 -0.06 0.00 -0.02 0.00 0.00 33.50 32.15 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 -2.16 0.41 -3.69 -0.52 0.63 -1.26 -5.09 116.66 104.97 3kjk n ARG 11 Ca -0.01 0.06 -0.10 0.00 -0.92 0.00 0.00 57.85 56.88 3kjk n ARG 11 Cb 0.05 -1.24 -0.03 0.00 0.45 0.00 0.00 32.46 31.70 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 -2.24 -0.21 -0.08 -0.14 -0.85 -1.22 -5.16 117.35 107.46 3kjk s TYR 12 Ca -0.15 -0.12 0.00 0.00 -0.52 0.00 0.00 57.07 56.28 3kjk s TYR 12 Cb 0.04 0.46 -0.03 0.00 0.38 0.00 0.00 41.96 42.81 3kjk s TYR 12 CO 0.28 -0.94 -0.07 -1.12 -1.52 0.00 0.00 175.55 172.18 3kjk s SER 13 N -2.85 4.62 0.35 -0.18 0.01 -1.26 -0.13 113.70 114.25 3kjk s SER 13 Ca 0.08 -0.05 0.04 0.00 1.31 0.00 0.00 55.95 57.33 3kjk s SER 13 Cb -0.02 -1.23 0.68 0.00 0.21 0.00 0.00 66.02 65.67 3kjk s SER 13 CO -0.04 0.34 1.98 -0.33 0.41 0.00 0.00 173.24 175.60 3kjk h GLU 14 N 5.43 0.80 -3.34 12.44 4.39 -0.92 -3.38 114.58 130.00 3kjk h GLU 14 Ca -0.46 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.04 3kjk h GLU 14 Cb 1.18 -0.18 -0.22 0.00 -0.10 0.00 0.00 28.75 29.42 3kjk h GLU 14 CO 0.53 0.53 -0.45 0.00 -1.16 0.00 0.00 179.01 178.46 3kjk s ALA 15 N -5.72 -0.46 -0.05 3.43 0.00 -0.91 -1.40 121.76 116.65 3kjk s ALA 15 Ca -0.10 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.05 3kjk s ALA 15 Cb 0.19 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.28 3kjk s ALA 15 CO 0.77 -0.18 -0.08 0.08 0.00 0.00 0.00 175.76 176.35 3kjk s VAL 16 N -0.89 0.78 -0.01 0.00 1.01 0.17 -0.52 120.40 120.94 3kjk s VAL 16 Ca -0.10 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 61.69 3kjk s VAL 16 Cb -0.05 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 3kjk s VAL 16 CO 0.02 0.28 -0.23 -0.83 0.00 0.00 0.00 175.10 174.33 3kjk s GLY 17 N 0.81 1.14 -0.28 4.51 0.00 -0.45 -0.30 107.32 112.75 3kjk s GLY 17 Ca -0.13 -1.01 -0.20 0.00 0.00 0.00 0.00 44.72 43.38 3kjk s GLY 17 CO 0.02 -0.86 0.77 0.00 0.00 0.00 0.00 173.10 173.03 3kjk s ALA 18 N -0.58 -1.90 -1.46 3.20 0.00 -0.51 -1.32 121.76 119.19 3kjk s ALA 18 Ca 0.09 2.21 -0.12 0.00 0.00 0.00 0.00 51.96 54.14 3kjk s ALA 18 Cb -0.09 -1.38 0.08 0.00 0.00 0.00 0.00 23.12 21.73 3kjk s ALA 18 CO -0.00 -0.35 0.73 -1.71 0.00 0.00 0.00 175.76 174.43 3kjk n ASN 19 N 3.47 -4.40 0.00 0.00 5.15 -1.26 -0.93 115.26 117.28 3kjk n ASN 19 Ca -0.17 -0.59 0.00 0.00 -0.60 0.00 0.00 54.58 53.22 3kjk n ASN 19 Cb 0.57 -3.57 0.00 0.00 -0.53 0.00 0.00 39.78 36.25 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 -1.44 0.97 3.85 8.20 0.00 -1.26 -5.00 105.19 110.51 3kjk n GLY 20 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 4.10 -0.09 0.99 1.43 -0.11 0.10 118.68 125.10 3kjk s LEU 21 Ca 0.00 1.21 -0.01 0.00 -1.03 0.00 0.00 54.13 54.30 3kjk s LEU 21 Cb 0.00 -3.96 0.03 0.00 0.03 0.00 0.00 46.19 42.28 3kjk s LEU 21 CO 0.00 -0.16 -0.03 -0.63 0.23 0.00 0.00 176.35 175.76 3kjk s ILE 22 N -1.92 0.65 -0.28 -0.59 1.01 0.15 -1.43 121.20 118.80 3kjk s ILE 22 Ca 0.52 -0.05 -0.07 0.00 0.00 0.00 0.00 60.65 61.05 3kjk s ILE 22 Cb -0.11 -0.75 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 3kjk s ILE 22 CO 0.18 0.31 0.07 -0.36 0.00 0.00 0.00 174.94 175.14 3kjk s PHE 23 N 1.85 3.11 0.17 3.97 0.08 0.59 0.16 117.98 127.92 3kjk s PHE 23 Ca 0.05 -0.77 -0.10 0.00 0.12 0.00 0.00 56.93 56.23 3kjk s PHE 23 Cb -0.12 -2.25 -0.07 0.00 -0.57 0.00 0.00 43.02 40.01 3kjk s PHE 23 CO -0.06 -0.50 0.50 -0.51 -0.10 0.00 0.00 175.22 174.55 3kjk s LEU 24 N 1.54 4.25 0.80 -0.37 1.02 -0.27 -0.66 118.68 125.00 3kjk s LEU 24 Ca 0.04 0.89 -0.11 0.00 0.02 0.00 0.00 54.13 54.97 3kjk s LEU 24 Cb -0.16 -3.43 0.08 0.00 0.02 0.00 0.00 46.19 42.70 3kjk s LEU 24 CO 0.03 0.02 1.12 -0.44 0.02 0.00 0.00 176.35 177.10 3kjk s SER 25 N -2.12 4.08 0.35 2.29 0.01 -0.50 -4.29 113.70 113.52 3kjk s SER 25 Ca 0.42 1.99 0.00 0.00 1.31 0.00 0.00 55.95 59.67 3kjk s SER 25 Cb -0.13 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.56 3kjk s SER 25 CO 0.21 -2.33 0.00 0.61 0.41 0.00 0.00 173.24 172.14 3kjk n GLY 26 N -0.60 -1.96 0.00 3.44 0.00 -1.26 -4.57 105.19 100.24 3kjk n GLY 26 Ca 0.10 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.82 0.00 -1.83 1.61 3.14 -1.26 -4.92 118.33 113.25 3kjk n VAL 28 Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 3kjk n VAL 28 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 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 -1.52 4.16 -0.00 1.45 0.02 -1.26 -4.85 135.00 133.00 3kjk s PRO 29 Ca 0.00 2.50 0.14 0.00 0.02 0.00 0.00 61.00 63.66 3kjk s PRO 29 Cb 0.00 -3.09 -0.17 0.00 0.02 0.00 0.00 34.50 31.27 3kjk s PRO 29 CO 0.00 -0.65 0.53 0.39 -0.33 0.00 0.00 177.00 176.94 3kjk n GLU 30 N 3.32 1.95 -3.76 5.54 1.02 -1.26 -5.01 120.64 122.43 3kjk n GLU 30 Ca 0.12 -0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 57.12 3kjk n GLU 30 Cb 0.37 -1.20 -0.07 0.00 -0.02 0.00 0.00 31.44 30.52 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 -2.62 -0.10 0.00 1.62 0.01 -1.26 -5.14 114.94 107.45 3kjk s ASN 31 Ca 0.03 -0.25 0.00 0.00 -0.71 0.00 0.00 52.86 51.93 3kjk s ASN 31 Cb 0.10 0.36 0.00 0.00 0.41 0.00 0.00 41.25 42.12 3kjk s ASN 31 CO 0.58 -0.63 0.00 0.61 -1.51 0.00 0.00 177.10 176.14 3kjk n GLY 32 N 0.50 -0.74 0.02 0.66 0.00 -1.26 -4.14 105.19 100.22 3kjk n GLY 32 Ca -0.18 -1.61 -0.02 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.42 0.53 -2.45 1.61 1.02 -1.26 -4.75 120.64 114.92 3kjk n GLU 33 Ca 0.00 0.02 -0.31 0.00 -0.02 0.00 0.00 57.16 56.85 3kjk n GLU 33 Cb 0.00 -1.07 -0.02 0.00 -0.02 0.00 0.00 31.44 30.34 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 -2.07 4.71 0.27 2.62 -4.23 -1.26 -4.89 115.64 110.79 3kjk s THR 34 Ca -0.04 0.80 -0.01 0.00 -1.18 0.00 0.00 61.69 61.26 3kjk s THR 34 Cb 0.01 -3.78 0.25 0.00 1.34 0.00 0.00 72.50 70.32 3kjk s THR 34 CO 0.08 -0.77 1.82 0.00 -0.54 0.00 0.00 174.62 175.21 3kjk h ALA 35 N 0.62 1.37 -0.59 3.99 0.00 -1.96 0.15 119.26 122.84 3kjk h ALA 35 Ca -0.46 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 3kjk h ALA 35 Cb 1.19 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3kjk h ALA 35 CO 0.62 0.17 0.02 0.00 0.00 0.00 0.00 179.25 180.07 3kjk h ALA 36 N 1.50 0.93 -0.19 0.00 0.00 -1.94 -0.94 119.26 118.63 3kjk h ALA 36 Ca 0.46 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3kjk h ALA 36 Cb 0.43 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kjk h ALA 36 CO -0.26 0.64 -0.19 0.93 0.00 0.00 0.00 179.25 180.38 3kjk h GLU 37 N 0.92 0.46 -0.43 0.00 5.08 -1.70 -2.67 114.58 116.25 3kjk h GLU 37 Ca 0.17 -0.24 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 3kjk h GLU 37 Cb 0.50 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3kjk h GLU 37 CO 0.02 0.81 -0.29 1.96 -1.00 0.00 0.00 179.01 180.52 3kjk h GLN 38 N 0.12 0.94 -0.24 2.33 4.20 -0.95 -2.02 115.11 119.50 3kjk h GLN 38 Ca 0.03 -0.44 0.03 0.00 0.06 0.00 0.00 58.65 58.33 3kjk h GLN 38 Cb 0.73 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.47 3kjk h GLN 38 CO 0.05 1.10 0.04 1.15 -0.67 0.00 0.00 178.83 180.50 3kjk h THR 39 N 0.79 0.89 -0.80 -0.54 2.02 -1.23 -0.82 112.91 113.22 3kjk h THR 39 Ca 0.09 -0.05 0.07 0.00 0.77 0.00 0.00 66.41 67.29 3kjk h THR 39 Cb 0.87 0.74 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 3kjk h THR 39 CO 0.08 0.02 0.47 0.00 0.37 0.00 0.00 175.52 176.47 3kjk h ALA 40 N 1.17 1.11 -0.55 6.16 0.00 -1.21 -0.48 119.26 125.47 3kjk h ALA 40 Ca 0.11 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3kjk h ALA 40 Cb 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3kjk h ALA 40 CO -0.15 0.16 0.01 0.22 0.00 0.00 0.00 179.25 179.50 3kjk h ASP 41 N 0.84 0.94 -0.47 0.00 3.58 -1.09 -2.28 116.42 117.94 3kjk h ASP 41 Ca 0.36 -0.30 -0.10 0.00 0.42 0.00 0.00 57.03 57.41 3kjk h ASP 41 Cb 0.23 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 3kjk h ASP 41 CO -0.20 1.01 -0.09 0.58 -2.88 0.00 0.00 179.24 177.66 3kjk h VAL 42 N 0.84 1.27 -0.16 2.25 2.07 -0.60 -2.43 116.25 119.49 3kjk h VAL 42 Ca 0.16 -1.21 -0.12 0.00 0.82 0.00 0.00 66.70 66.35 3kjk h VAL 42 Cb 0.52 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3kjk h VAL 42 CO 0.03 0.42 -0.40 -0.07 0.02 0.00 0.00 177.57 177.56 3kjk h LEU 43 N 0.75 0.39 -1.17 2.57 3.38 -1.10 -1.75 115.31 118.38 3kjk h LEU 43 Ca 0.12 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3kjk h LEU 43 Cb 0.64 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3kjk h LEU 43 CO 0.04 0.76 0.04 0.00 0.09 0.00 0.00 178.44 179.37 3kjk h ALA 44 N 1.26 1.32 -0.21 1.53 0.00 -1.30 0.31 119.26 122.17 3kjk h ALA 44 Ca 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3kjk h ALA 44 Cb 0.85 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3kjk h ALA 44 CO 0.07 0.47 0.06 1.96 0.00 0.00 0.00 179.25 181.81 3kjk h GLN 45 N 0.59 0.33 -0.35 0.00 4.20 -1.03 -2.09 115.11 116.76 3kjk h GLN 45 Ca 0.13 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.82 3kjk h GLN 45 Cb 0.32 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 3kjk h GLN 45 CO 0.01 0.43 0.07 0.82 -0.67 0.00 0.00 178.83 179.48 3kjk h ILE 46 N 0.17 0.82 -0.76 2.54 2.04 -1.00 -0.73 117.51 120.60 3kjk h ILE 46 Ca 0.07 -0.06 0.14 0.00 1.00 0.00 0.00 64.86 66.01 3kjk h ILE 46 Cb 0.24 0.62 -0.10 0.00 -0.74 0.00 0.00 36.82 36.84 3kjk h ILE 46 CO -0.00 0.03 0.31 0.44 0.00 0.00 0.00 178.15 178.93 3kjk h ASP 47 N 0.19 0.29 -0.17 1.72 3.32 -0.82 0.19 116.42 121.14 3kjk h ASP 47 Ca 0.17 0.11 -0.13 0.00 0.02 0.00 0.00 57.03 57.20 3kjk h ASP 47 Cb 0.19 0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3kjk h ASP 47 CO -0.23 0.11 -0.40 0.03 -1.72 0.00 0.00 179.24 177.03 3kjk h ARG 48 N 0.45 0.58 0.00 3.56 3.08 -0.59 -2.52 114.38 118.95 3kjk h ARG 48 Ca 0.42 -0.39 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 3kjk h ARG 48 Cb 0.63 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 3kjk h ARG 48 CO -0.40 1.01 -0.40 -1.49 -1.07 0.00 0.00 179.97 177.61 3kjk h TRP 49 N 0.24 0.00 -0.36 3.04 4.06 -0.95 -2.15 115.95 119.82 3kjk h TRP 49 Ca -0.00 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.80 3kjk h TRP 49 Cb 1.01 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.16 3kjk h TRP 49 CO 0.10 0.40 -0.37 -0.07 -3.56 0.00 0.00 178.44 174.93 3kjk h LEU 50 N 0.00 0.95 -0.40 -4.49 3.38 -0.94 -2.45 115.31 111.36 3kjk h LEU 50 Ca -0.00 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 3kjk h LEU 50 Cb 0.90 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3kjk h LEU 50 CO 0.05 1.23 0.16 0.00 0.09 0.00 0.00 178.44 179.97 3kjk h ALA 51 N 0.75 0.52 -0.80 1.53 0.00 -1.30 0.62 119.26 120.57 3kjk h ALA 51 Ca 0.06 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.91 3kjk h ALA 51 Cb 0.97 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 3kjk h ALA 51 CO 0.09 0.13 0.53 0.93 0.00 0.00 0.00 179.25 180.92 3kjk h GLU 52 N 0.50 0.77 -0.30 0.00 4.39 -1.39 -2.19 114.58 116.37 3kjk h GLU 52 Ca 0.13 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.79 3kjk h GLU 52 Cb 0.19 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3kjk h GLU 52 CO -0.01 0.51 0.00 0.00 -1.16 0.00 0.00 179.01 178.35 3kjk n GLY 54 N 1.21 0.35 0.00 0.00 0.00 -0.81 -4.71 105.19 101.23 3kjk n GLY 54 Ca 0.16 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 1.70 1.18 -3.43 1.61 2.88 0.21 -0.79 113.62 116.98 3kjk n SER 55 Ca -0.02 -0.66 -0.04 0.00 -1.33 0.00 0.00 58.87 56.82 3kjk n SER 55 Cb 0.42 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.89 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 -0.33 -0.04 0.59 -3.46 1.47 -1.26 -3.46 116.67 110.18 3kjk s ASP 56 Ca 0.00 -0.64 0.33 0.00 1.18 0.00 0.00 52.55 53.42 3kjk s ASP 56 Cb 0.00 0.52 1.84 0.00 -0.34 0.00 0.00 42.92 44.95 3kjk s ASP 56 CO 0.00 -1.02 2.22 0.07 0.68 0.00 0.00 175.17 177.11 3kjk h LYS 57 N 2.00 0.00 -0.03 2.11 2.10 -1.93 -1.16 116.57 119.65 3kjk h LYS 57 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 3kjk h LYS 57 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3kjk h LYS 57 CO 0.34 0.04 0.00 0.00 -2.00 0.00 0.00 179.45 177.82 3kjk n ALA 58 N -2.24 2.60 -2.10 0.07 0.00 -1.26 -3.36 120.51 114.22 3kjk n ALA 58 Ca -0.02 -0.22 0.05 0.00 0.00 0.00 0.00 53.44 53.24 3kjk n ALA 58 Cb 0.14 -1.28 0.10 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 -0.55 0.00 -3.32 0.00 8.25 -0.44 -4.98 115.22 114.18 3kjk n HIS 59 Ca 0.16 -0.94 -0.38 0.00 -0.26 0.00 0.00 57.72 56.29 3kjk n HIS 59 Cb 0.14 -0.19 -0.06 0.00 1.12 0.00 0.00 29.99 30.99 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 -1.44 4.98 -0.18 1.59 1.01 -1.21 -1.35 120.40 123.79 3kjk s VAL 60 Ca 0.36 1.06 -0.06 0.00 0.00 0.00 0.00 61.98 63.33 3kjk s VAL 60 Cb 0.38 -3.84 -0.22 0.00 0.00 0.00 0.00 36.38 32.70 3kjk s VAL 60 CO -0.12 0.46 0.12 0.18 0.00 0.00 0.00 175.10 175.74 3kjk n LEU 61 N 2.54 2.61 -3.75 3.92 4.77 0.60 -4.39 117.00 123.31 3kjk n LEU 61 Ca -0.09 0.14 -0.12 0.00 -0.03 0.00 0.00 56.01 55.90 3kjk n LEU 61 Cb 0.51 -1.02 -0.12 0.00 -2.33 0.00 0.00 43.42 40.47 3kjk n LEU 61 CO 0.41 0.80 -0.05 -0.62 -1.33 0.00 0.00 177.39 176.60 3kjk s ASP 62 N -6.90 -0.32 -0.07 -1.43 2.15 -0.69 -0.97 116.67 108.44 3kjk s ASP 62 Ca -0.28 0.61 0.00 0.00 0.43 0.00 0.00 52.55 53.32 3kjk s ASP 62 Cb 0.08 0.56 0.02 0.00 -0.30 0.00 0.00 42.92 43.28 3kjk s ASP 62 CO 0.68 -0.14 -0.05 0.00 -0.17 0.00 0.00 175.17 175.49 3kjk s ALA 63 N 0.72 0.88 -0.24 3.66 0.00 0.32 -0.70 121.76 126.41 3kjk s ALA 63 Ca -0.05 -0.21 -0.07 0.00 0.00 0.00 0.00 51.96 51.64 3kjk s ALA 63 Cb -0.06 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 3kjk s ALA 63 CO -0.05 -0.16 0.05 0.08 0.00 0.00 0.00 175.76 175.68 3kjk s VAL 64 N 1.25 4.14 -0.24 0.00 1.01 0.32 -1.75 120.40 125.13 3kjk s VAL 64 Ca -0.05 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 3kjk s VAL 64 Cb -0.14 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 3kjk s VAL 64 CO -0.02 0.36 0.02 -0.63 0.00 0.00 0.00 175.10 174.83 3kjk s ILE 65 N 1.51 3.77 -0.23 2.22 1.01 0.14 -0.54 121.20 129.07 3kjk s ILE 65 Ca 0.06 -0.44 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 3kjk s ILE 65 Cb -0.15 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 3kjk s ILE 65 CO 0.02 0.33 0.12 -0.31 0.00 0.00 0.00 174.94 175.10 3kjk s TYR 66 N 1.52 3.22 -0.05 3.97 2.02 0.79 -1.52 117.35 127.30 3kjk s TYR 66 Ca 0.05 -0.00 0.01 0.00 -0.37 0.00 0.00 57.07 56.75 3kjk s TYR 66 Cb -0.15 -2.23 -0.03 0.00 -0.40 0.00 0.00 41.96 39.14 3kjk s TYR 66 CO -0.00 -0.07 -0.04 -0.51 -1.57 0.00 0.00 175.55 173.37 3kjk s LEU 67 N 1.16 3.35 0.21 -1.29 1.43 -0.65 -0.59 118.68 122.30 3kjk s LEU 67 Ca 0.06 0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.10 3kjk s LEU 67 Cb -0.14 -1.81 0.17 0.00 0.03 0.00 0.00 46.19 44.44 3kjk s LEU 67 CO 0.04 0.34 1.68 -0.09 0.23 0.00 0.00 176.35 178.55 3kjk h ARG 68 N 4.93 0.96 0.00 1.70 2.43 -1.45 0.03 114.38 122.98 3kjk h ARG 68 Ca -0.49 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.38 3kjk h ARG 68 Cb 1.18 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3kjk h ARG 68 CO 0.54 0.96 0.00 -3.47 -1.51 0.00 0.00 179.97 176.49 3kjk n ASP 69 N -4.18 0.34 0.00 -3.80 4.64 -1.26 -4.61 116.55 107.67 3kjk n ASP 69 Ca 0.03 -0.34 0.00 0.00 -1.38 0.00 0.00 54.79 53.10 3kjk n ASP 69 Cb 0.34 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.42 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 0.84 0.00 1.01 0.27 0.00 -1.26 -4.40 105.19 101.66 3kjk n GLY 71 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 3.00 -0.04 1.61 8.00 -1.26 -4.63 116.55 123.23 3kjk n ASP 72 Ca 0.00 -1.94 -0.08 0.00 0.71 0.00 0.00 54.79 53.48 3kjk n ASP 72 Cb 0.00 -0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 40.81 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 3.68 -0.50 -0.48 1.24 3.20 -2.02 -2.61 116.97 119.48 3kjk h TYR 73 Ca 0.00 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 3kjk h TYR 73 Cb 0.82 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.33 3kjk h TYR 73 CO 0.27 -0.27 -0.11 0.00 -1.64 0.00 0.00 178.16 176.41 3kjk h ALA 74 N 0.90 0.90 0.00 1.82 0.00 -1.99 -1.10 119.26 119.79 3kjk h ALA 74 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3kjk h ALA 74 Cb 0.40 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kjk h ALA 74 CO -0.35 0.63 0.00 -1.91 0.00 0.00 0.00 179.25 177.63 3kjk n GLU 75 N -4.15 0.33 0.00 0.00 2.13 -0.99 -1.60 120.64 116.36 3kjk n GLU 75 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 3kjk n GLU 75 Cb 0.38 -1.17 0.00 0.00 0.27 0.00 0.00 31.44 30.92 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 0.35 0.00 -0.10 4.31 3.02 -0.42 -3.50 115.26 118.93 3kjk n ASN 77 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 3kjk n ASN 77 Cb 0.08 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.27 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 0.42 0.83 7.41 0.00 -1.56 0.20 103.07 110.36 3kjk h GLY 78 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 3kjk h GLY 78 CO 0.00 0.01 -0.33 -2.08 0.00 0.00 0.00 176.54 174.14 3kjk h VAL 79 N 0.23 1.36 -0.31 4.60 2.07 -1.86 -3.16 116.25 119.17 3kjk h VAL 79 Ca 0.16 -1.59 0.06 0.00 0.82 0.00 0.00 66.70 66.15 3kjk h VAL 79 Cb 0.15 1.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.85 3kjk h VAL 79 CO -0.18 0.48 -0.09 -0.25 0.02 0.00 0.00 177.57 177.55 3kjk h TRP 80 N 0.11 -0.19 -0.63 1.57 2.91 -1.83 -1.22 115.95 116.68 3kjk h TRP 80 Ca 0.00 0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.07 3kjk h TRP 80 Cb 0.93 0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 29.67 3kjk h TRP 80 CO 0.10 -0.14 0.42 -0.44 -1.03 0.00 0.00 178.44 177.34 3kjk h ASP 81 N -0.01 0.68 1.00 2.65 3.32 -0.69 -1.89 116.42 121.48 3kjk h ASP 81 Ca 0.15 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.03 3kjk h ASP 81 Cb 0.24 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3kjk h ASP 81 CO -0.33 0.48 -0.75 0.00 -1.72 0.00 0.00 179.24 176.93 3kjk h ALA 82 N 1.62 0.62 0.07 3.45 0.00 -1.41 -3.32 119.26 120.30 3kjk h ALA 82 Ca 0.24 -0.68 -0.26 0.00 0.00 0.00 0.00 54.91 54.21 3kjk h ALA 82 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kjk h ALA 82 CO -0.06 0.93 -1.24 2.35 0.00 0.00 0.00 179.25 181.23 3kjk h TRP 83 N 0.00 0.28 -4.06 0.00 7.01 -0.68 -3.47 115.95 115.02 3kjk h TRP 83 Ca -0.01 -0.20 -0.51 0.00 2.11 0.00 0.00 58.89 60.28 3kjk h TRP 83 Cb 1.45 -0.01 0.08 0.00 -2.10 0.00 0.00 29.16 28.57 3kjk h TRP 83 CO 0.00 1.18 0.46 0.54 -2.79 0.00 0.00 178.44 177.83 3kjk s VAL 84 N -2.66 3.04 -0.24 2.65 0.11 -0.76 -4.98 120.40 117.55 3kjk s VAL 84 Ca -0.03 0.69 -0.26 0.00 -2.93 0.00 0.00 61.98 59.44 3kjk s VAL 84 Cb 0.08 -3.30 0.00 0.00 -1.53 0.00 0.00 36.38 31.63 3kjk s VAL 84 CO 0.85 -0.10 0.92 0.00 -3.33 0.00 0.00 175.10 173.44 3kjk s ALA 85 N -1.66 3.66 0.24 1.54 0.00 -1.26 -5.00 121.76 119.29 3kjk s ALA 85 Ca 0.71 0.01 -0.31 0.00 0.00 0.00 0.00 51.96 52.36 3kjk s ALA 85 Cb -0.27 -3.40 -0.13 0.00 0.00 0.00 0.00 23.12 19.33 3kjk s ALA 85 CO 0.31 -0.97 1.54 0.00 0.00 0.00 0.00 175.76 176.63 3kjk n ALA 86 N 6.13 1.88 -0.28 0.00 0.00 -1.26 -1.60 120.51 125.37 3kjk n ALA 86 Ca 0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3kjk n ALA 86 Cb 0.47 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 2.60 2.15 2.58 0.00 0.00 -1.26 -4.80 105.19 106.46 3kjk n GLY 87 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 2.21 -2.76 1.61 1.74 -0.63 -5.08 116.66 111.75 3kjk n ARG 88 Ca 0.00 -3.71 -0.40 0.00 -0.77 0.00 0.00 57.85 52.97 3kjk n ARG 88 Cb 0.00 -1.75 -0.06 0.00 -1.02 0.00 0.00 32.46 29.63 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 -4.02 4.18 0.91 0.55 -4.23 -1.18 -4.59 115.64 107.25 3kjk s THR 89 Ca 0.35 2.06 -0.13 0.00 -1.18 0.00 0.00 61.69 62.78 3kjk s THR 89 Cb 0.38 -4.32 0.17 0.00 1.34 0.00 0.00 72.50 70.08 3kjk s THR 89 CO -0.02 0.47 1.26 -2.16 -0.54 0.00 0.00 174.62 173.62 3kjk s PRO 90 N -0.94 0.95 0.35 3.99 0.04 -1.26 -5.02 135.00 133.10 3kjk s PRO 90 Ca 0.42 -0.44 -0.27 0.00 0.04 0.00 0.00 61.00 60.74 3kjk s PRO 90 Cb -0.25 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 3kjk s PRO 90 CO 0.31 -2.18 1.20 0.00 0.04 0.00 0.00 177.00 176.37 3kjk s ALA 91 N -3.75 3.33 -0.01 8.56 0.00 -0.14 -4.91 121.76 124.84 3kjk s ALA 91 Ca 0.71 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.71 3kjk s ALA 91 Cb -0.05 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.68 3kjk s ALA 91 CO 0.51 -0.47 0.03 0.50 0.00 0.00 0.00 175.76 176.33 3kjk s ARG 92 N -1.91 0.03 -0.02 0.00 3.52 -1.26 -0.52 118.95 118.80 3kjk s ARG 92 Ca 0.51 0.06 0.02 0.00 -0.13 0.00 0.00 55.73 56.19 3kjk s ARG 92 Cb -0.34 -0.00 0.01 0.00 -1.56 0.00 0.00 34.95 33.05 3kjk s ARG 92 CO 0.44 -0.02 -0.05 0.00 -0.81 0.00 0.00 175.30 174.86 3kjk s ALA 93 N 0.11 0.53 -0.11 6.12 0.00 -0.71 -5.00 121.76 122.69 3kjk s ALA 93 Ca -0.01 -0.16 0.02 0.00 0.00 0.00 0.00 51.96 51.81 3kjk s ALA 93 Cb -0.01 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.90 3kjk s ALA 93 CO -0.00 0.07 -0.15 0.00 0.00 0.00 0.00 175.76 175.68 3kjk s VAL 95 N 1.05 0.18 -0.36 0.00 -7.23 -0.57 -4.99 120.40 108.47 3kjk s VAL 95 Ca -0.05 -1.46 -0.19 0.00 -1.81 0.00 0.00 61.98 58.46 3kjk s VAL 95 Cb -0.15 -1.22 0.00 0.00 0.56 0.00 0.00 36.38 35.58 3kjk s VAL 95 CO -0.02 -0.81 0.56 -0.70 -0.31 0.00 0.00 175.10 173.82 3kjk s GLU 96 N -3.36 3.59 -0.04 4.82 2.12 -1.26 -1.64 118.70 122.93 3kjk s GLU 96 Ca 0.02 -0.13 -0.04 0.00 0.36 0.00 0.00 54.97 55.17 3kjk s GLU 96 Cb 0.04 -3.83 0.01 0.00 0.26 0.00 0.00 34.13 30.61 3kjk s GLU 96 CO -0.08 -0.71 0.12 0.00 -0.54 0.00 0.00 175.26 174.05 3kjk s ALA 97 N 2.52 -0.30 0.55 6.30 0.00 -0.00 -4.93 121.76 125.90 3kjk s ALA 97 Ca 0.21 0.31 -0.18 0.00 0.00 0.00 0.00 51.96 52.30 3kjk s ALA 97 Cb -0.15 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 3kjk s ALA 97 CO 0.14 -0.07 1.08 1.03 0.00 0.00 0.00 175.76 177.95 3kjk s ARG 98 N -0.03 3.42 0.53 0.00 0.52 -1.26 -3.50 118.95 118.63 3kjk s ARG 98 Ca -0.01 1.42 0.03 0.00 -0.52 0.00 0.00 55.73 56.65 3kjk s ARG 98 Cb -0.01 -2.03 0.02 0.00 0.52 0.00 0.00 34.95 33.44 3kjk s ARG 98 CO 0.00 -0.76 0.22 -0.51 0.02 0.00 0.00 175.30 174.27 3kjk s LEU 99 N -3.98 2.49 0.40 2.53 1.43 -1.26 -5.02 118.68 115.27 3kjk s LEU 99 Ca 0.68 -1.45 0.10 0.00 -1.03 0.00 0.00 54.13 52.43 3kjk s LEU 99 Cb -0.19 -0.96 0.90 0.00 0.03 0.00 0.00 46.19 45.97 3kjk s LEU 99 CO 0.29 -1.00 1.98 0.00 0.23 0.00 0.00 176.35 177.85 3kjk h ALA 100 N 1.02 1.86 -3.95 4.21 0.00 -1.97 -3.40 119.26 117.02 3kjk h ALA 100 Ca -0.40 -0.02 -0.64 0.00 0.00 0.00 0.00 54.91 53.86 3kjk h ALA 100 Cb 1.31 -0.13 -0.23 0.00 0.00 0.00 0.00 17.79 18.73 3kjk h ALA 100 CO 0.65 0.03 -0.86 1.03 0.00 0.00 0.00 179.25 180.11 3kjk s ARG 101 N -5.51 1.40 0.52 0.00 0.52 -1.26 -5.05 118.95 109.58 3kjk s ARG 101 Ca -0.08 -1.18 0.26 0.00 -0.52 0.00 0.00 55.73 54.20 3kjk s ARG 101 Cb 0.19 -1.71 1.42 0.00 0.52 0.00 0.00 34.95 35.37 3kjk s ARG 101 CO 0.75 0.42 2.08 -1.35 0.02 0.00 0.00 175.30 177.22 3kjk h PRO 102 N 4.28 0.00 0.00 3.54 0.11 -2.03 -2.71 132.00 135.19 3kjk h PRO 102 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kjk h PRO 102 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3kjk h PRO 102 CO 0.41 0.12 -0.09 0.93 -0.21 0.00 0.00 178.00 179.15 3kjk h GLU 103 N 0.00 0.00 -6.17 1.05 3.07 -1.96 -3.44 114.58 107.12 3kjk h GLU 103 Ca -0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.29 3kjk h GLU 103 Cb 0.30 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.16 3kjk h GLU 103 CO 0.02 0.00 0.88 -1.58 -1.40 0.00 0.00 179.01 176.93 3kjk s TRP 104 N -3.16 2.98 -0.81 4.33 0.51 -1.03 -4.91 118.94 116.86 3kjk s TRP 104 Ca 0.08 1.13 0.21 0.00 -2.12 0.00 0.00 56.10 55.40 3kjk s TRP 104 Cb 0.09 -3.52 -0.24 0.00 -0.81 0.00 0.00 33.47 28.99 3kjk s TRP 104 CO 0.64 -1.29 0.81 0.54 -0.51 0.00 0.00 176.95 177.14 3kjk n ARG 105 N 6.66 0.25 -3.70 4.98 1.74 -1.26 -4.66 116.66 120.66 3kjk n ARG 105 Ca 0.13 -0.04 -0.13 0.00 -0.77 0.00 0.00 57.85 57.05 3kjk n ARG 105 Cb 0.46 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.32 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 -3.05 -0.00 -0.05 1.55 0.11 -1.26 -2.05 120.40 115.65 3kjk s VAL 106 Ca 0.05 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.12 3kjk s VAL 106 Cb 0.15 -0.69 0.02 0.00 -1.53 0.00 0.00 36.38 34.33 3kjk s VAL 106 CO 0.86 0.00 -0.04 -0.70 -3.33 0.00 0.00 175.10 171.89 3kjk s GLU 107 N 0.47 0.79 -0.12 1.54 2.12 0.25 -4.16 118.70 119.58 3kjk s GLU 107 Ca -0.02 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.26 3kjk s GLU 107 Cb -0.04 -0.84 -0.01 0.00 0.26 0.00 0.00 34.13 33.51 3kjk s GLU 107 CO -0.02 -0.11 -0.19 0.42 -0.54 0.00 0.00 175.26 174.82 3kjk s ILE 108 N 1.02 2.49 -0.18 -3.70 1.01 -1.26 -0.15 121.20 120.44 3kjk s ILE 108 Ca -0.09 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.67 3kjk s ILE 108 Cb -0.14 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 3kjk s ILE 108 CO -0.01 0.54 -0.08 -0.75 0.00 0.00 0.00 174.94 174.65 3kjk s LYS 109 N 0.39 3.41 -0.05 2.79 2.20 0.30 -4.42 119.74 124.36 3kjk s LYS 109 Ca -0.14 -0.64 0.04 0.00 -0.36 0.00 0.00 55.97 54.87 3kjk s LYS 109 Cb -0.17 -2.86 -0.02 0.00 -1.51 0.00 0.00 37.83 33.27 3kjk s LYS 109 CO 0.07 -0.00 -0.18 0.42 -0.36 0.00 0.00 175.35 175.29 3kjk s ILE 110 N 0.95 2.70 -0.12 5.43 -1.09 -1.26 -0.52 121.20 127.29 3kjk s ILE 110 Ca -0.01 -0.85 0.03 0.00 -2.23 0.00 0.00 60.65 57.59 3kjk s ILE 110 Cb -0.15 -2.04 0.01 0.00 -1.58 0.00 0.00 42.46 38.70 3kjk s ILE 110 CO 0.00 0.58 -0.22 -0.89 -1.23 0.00 0.00 174.94 173.18 3kjk s THR 111 N -0.50 1.98 0.35 2.92 2.01 0.12 -1.11 115.64 121.42 3kjk s THR 111 Ca 0.06 -0.95 0.05 0.00 0.31 0.00 0.00 61.69 61.17 3kjk s THR 111 Cb -0.12 -1.74 -0.02 0.00 0.01 0.00 0.00 72.50 70.63 3kjk s THR 111 CO 0.01 0.54 0.19 0.00 -0.69 0.00 0.00 174.62 174.67 3kjk n ALA 112 N 3.88 0.60 -2.46 7.40 0.00 0.12 -0.29 120.51 129.76 3kjk n ALA 112 Ca -0.20 -1.88 -0.26 0.00 0.00 0.00 0.00 53.44 51.10 3kjk n ALA 112 Cb 0.52 1.38 -0.15 0.00 0.00 0.00 0.00 19.45 21.20 3kjk n ALA 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3kjk s VAL 113 N -3.11 1.69 0.45 0.00 -7.23 -0.46 0.30 120.40 112.05 3kjk s VAL 113 Ca 0.27 -1.13 -0.25 0.00 -1.81 0.00 0.00 61.98 59.07 3kjk s VAL 113 Cb 0.01 -1.45 -0.08 0.00 0.56 0.00 0.00 36.38 35.42 3kjk s VAL 113 CO 0.19 0.29 1.38 0.29 -0.31 0.00 0.00 175.10 176.94 3kjk n LYS 114 N 2.04 2.09 -2.26 4.82 5.02 0.11 -4.58 118.16 125.41 3kjk n LYS 114 Ca -0.17 0.75 -0.41 0.00 -2.02 0.00 0.00 58.31 56.46 3kjk n LYS 114 Cb 0.53 -2.55 -0.03 0.00 -0.02 0.00 0.00 35.03 32.96 3kjk n LYS 114 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kjk s ARG 115 N -2.42 4.41 0.42 1.97 0.52 0.03 -4.97 118.95 118.90 3kjk s ARG 115 Ca 0.62 1.99 -0.25 0.00 -0.52 0.00 0.00 55.73 57.57 3kjk s ARG 115 Cb -0.46 -3.22 -0.08 0.00 0.52 0.00 0.00 34.95 31.70 3kjk s ARG 115 CO 0.57 -0.24 1.28 -0.51 0.02 0.00 0.00 175.30 176.41 3kjk s ASP 116 N 0.44 6.24 0.00 0.23 -0.00 -1.26 -4.98 116.67 117.34 3kjk s ASP 116 Ca 0.57 2.59 0.28 0.00 -0.00 0.00 0.00 52.55 55.99 3kjk s ASP 116 Cb -0.35 -2.63 1.15 0.00 -0.00 0.00 0.00 42.92 41.09 3kjk s ASP 116 CO 0.36 -0.89 1.80 0.00 -0.00 0.00 0.00 175.17 176.44