#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 4.63 -0.07 0.53 1.01 -1.26 -4.49 121.20 121.55 3kjk s ILE 3 Ca 0.00 1.42 0.04 0.00 0.00 0.00 0.00 60.65 62.11 3kjk s ILE 3 Cb 0.00 -4.00 -0.00 0.00 0.01 0.00 0.00 42.46 38.47 3kjk s ILE 3 CO 0.00 0.51 -0.20 -0.60 0.00 0.00 0.00 174.94 174.65 3kjk s ARG 4 N -0.93 2.39 -0.13 2.79 6.06 0.44 -4.98 118.95 124.59 3kjk s ARG 4 Ca 0.32 -0.74 -0.01 0.00 -2.50 0.00 0.00 55.73 52.81 3kjk s ARG 4 Cb -0.21 -1.93 -0.02 0.00 0.06 0.00 0.00 34.95 32.86 3kjk s ARG 4 CO 0.22 0.22 -0.10 0.71 -2.50 0.00 0.00 175.30 173.84 3kjk s TYR 5 N 0.21 2.87 -0.05 5.12 2.02 -1.26 -0.23 117.35 126.02 3kjk s TYR 5 Ca -0.11 -0.47 0.06 0.00 -0.37 0.00 0.00 57.07 56.18 3kjk s TYR 5 Cb -0.15 -1.85 -0.01 0.00 -0.40 0.00 0.00 41.96 39.55 3kjk s TYR 5 CO 0.05 -0.10 -0.23 -0.06 -1.57 0.00 0.00 175.55 173.65 3kjk s PHE 6 N 0.19 2.25 -1.14 2.71 0.08 0.66 -4.77 117.98 117.96 3kjk s PHE 6 Ca -0.06 -0.67 -0.04 0.00 0.12 0.00 0.00 56.93 56.28 3kjk s PHE 6 Cb -0.15 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.82 3kjk s PHE 6 CO 0.04 -0.21 0.98 0.41 -0.10 0.00 0.00 175.22 176.34 3kjk n GLY 7 N 3.01 -0.33 3.72 4.36 0.00 -1.26 -1.64 105.19 113.05 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 3.47 0.37 2.61 2.01 -1.26 -2.66 115.64 116.88 3kjk s THR 8 Ca 0.29 1.08 0.05 0.00 0.31 0.00 0.00 61.69 63.42 3kjk s THR 8 Cb -0.13 -3.69 -0.07 0.00 0.01 0.00 0.00 72.50 68.62 3kjk s THR 8 CO 0.65 0.10 0.03 0.42 -0.69 0.00 0.00 174.62 175.13 3kjk s THR 9 N 0.89 1.57 -0.29 -0.82 -4.23 0.12 -4.98 115.64 107.91 3kjk s THR 9 Ca 0.62 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.30 3kjk s THR 9 Cb -0.35 -2.86 0.18 0.00 1.34 0.00 0.00 72.50 70.81 3kjk s THR 9 CO 0.31 0.00 1.54 -2.65 -0.54 0.00 0.00 174.62 173.28 3kjk n PRO 10 N -0.85 0.12 -0.06 3.99 -0.02 -1.26 -3.25 135.00 133.67 3kjk n PRO 10 Ca -0.04 0.61 -0.08 0.00 -2.02 0.00 0.00 63.50 61.97 3kjk n PRO 10 Cb 0.67 -1.91 -0.05 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 -2.13 0.27 -4.01 -0.52 0.63 -1.26 -5.10 116.66 104.54 3kjk n ARG 11 Ca -0.01 0.07 -0.12 0.00 -0.92 0.00 0.00 57.85 56.87 3kjk n ARG 11 Cb 0.05 -1.21 -0.03 0.00 0.45 0.00 0.00 32.46 31.72 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 -2.22 0.67 -0.04 -0.14 -0.85 -1.20 -5.16 117.35 108.41 3kjk s TYR 12 Ca -0.15 -1.02 0.06 0.00 -0.52 0.00 0.00 57.07 55.44 3kjk s TYR 12 Cb 0.04 0.17 -0.01 0.00 0.38 0.00 0.00 41.96 42.54 3kjk s TYR 12 CO 0.25 -1.16 -0.20 -1.12 -1.52 0.00 0.00 175.55 171.80 3kjk s SER 13 N -3.13 2.47 0.43 -0.18 0.01 -1.26 0.15 113.70 112.19 3kjk s SER 13 Ca 0.25 -0.40 0.14 0.00 1.31 0.00 0.00 55.95 57.26 3kjk s SER 13 Cb -0.01 -0.53 1.03 0.00 0.21 0.00 0.00 66.02 66.72 3kjk s SER 13 CO 0.15 0.21 1.97 -0.33 0.41 0.00 0.00 173.24 175.65 3kjk h GLU 14 N 5.97 0.40 -2.99 12.44 4.39 -1.08 -3.37 114.58 130.33 3kjk h GLU 14 Ca -0.35 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.20 3kjk h GLU 14 Cb 1.16 -0.09 -0.22 0.00 -0.10 0.00 0.00 28.75 29.50 3kjk h GLU 14 CO 0.48 0.26 -0.30 0.00 -1.16 0.00 0.00 179.01 178.29 3kjk s ALA 15 N -5.39 -0.79 -0.05 3.43 0.00 -0.80 -0.86 121.76 117.29 3kjk s ALA 15 Ca -0.08 0.60 -0.01 0.00 0.00 0.00 0.00 51.96 52.47 3kjk s ALA 15 Cb 0.20 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.14 3kjk s ALA 15 CO 0.75 -0.21 0.00 0.08 0.00 0.00 0.00 175.76 176.38 3kjk s VAL 16 N -0.65 0.28 -0.09 0.00 1.01 0.36 -0.24 120.40 121.07 3kjk s VAL 16 Ca -0.07 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.04 3kjk s VAL 16 Cb -0.04 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 3kjk s VAL 16 CO 0.02 0.21 -0.14 -0.83 0.00 0.00 0.00 175.10 174.37 3kjk s GLY 17 N 1.56 1.53 -0.23 4.51 0.00 0.68 -0.68 107.32 114.70 3kjk s GLY 17 Ca -0.02 -0.94 -0.10 0.00 0.00 0.00 0.00 44.72 43.67 3kjk s GLY 17 CO -0.03 -0.49 0.52 0.00 0.00 0.00 0.00 173.10 173.10 3kjk s ALA 18 N -0.20 -1.47 -1.22 3.20 0.00 -0.41 -0.42 121.76 121.23 3kjk s ALA 18 Ca 0.00 1.88 -0.20 0.00 0.00 0.00 0.00 51.96 53.64 3kjk s ALA 18 Cb -0.13 -1.35 0.01 0.00 0.00 0.00 0.00 23.12 21.64 3kjk s ALA 18 CO 0.03 -0.60 0.67 -1.71 0.00 0.00 0.00 175.76 174.14 3kjk n ASN 19 N 4.92 -3.86 0.00 0.00 5.15 -1.26 -1.85 115.26 118.35 3kjk n ASN 19 Ca -0.15 -1.10 0.00 0.00 -0.60 0.00 0.00 54.58 52.73 3kjk n ASN 19 Cb 0.53 -2.80 0.00 0.00 -0.53 0.00 0.00 39.78 36.98 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 -1.88 1.74 3.83 8.20 0.00 -1.26 -4.97 105.19 110.85 3kjk n GLY 20 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 4.38 -0.12 0.99 1.43 -0.77 -1.01 118.68 123.58 3kjk s LEU 21 Ca 0.00 1.22 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 3kjk s LEU 21 Cb 0.00 -3.28 0.02 0.00 0.03 0.00 0.00 46.19 42.96 3kjk s LEU 21 CO 0.00 0.12 -0.13 -0.63 0.23 0.00 0.00 176.35 175.94 3kjk s ILE 22 N -1.40 1.38 -0.23 -0.59 1.01 0.49 -1.29 121.20 120.57 3kjk s ILE 22 Ca 0.37 -0.54 -0.05 0.00 0.00 0.00 0.00 60.65 60.43 3kjk s ILE 22 Cb -0.17 -1.30 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 3kjk s ILE 22 CO 0.20 0.42 -0.01 -0.36 0.00 0.00 0.00 174.94 175.19 3kjk s PHE 23 N 1.27 3.00 0.03 3.97 0.08 0.14 -0.93 117.98 125.54 3kjk s PHE 23 Ca -0.01 -0.80 -0.07 0.00 0.12 0.00 0.00 56.93 56.16 3kjk s PHE 23 Cb -0.14 -2.15 -0.05 0.00 -0.57 0.00 0.00 43.02 40.12 3kjk s PHE 23 CO -0.05 -0.50 0.31 -0.51 -0.10 0.00 0.00 175.22 174.37 3kjk s LEU 24 N 1.52 4.36 0.80 -0.37 1.43 -0.79 -0.49 118.68 125.14 3kjk s LEU 24 Ca 0.06 0.62 -0.13 0.00 -1.03 0.00 0.00 54.13 53.65 3kjk s LEU 24 Cb -0.15 -2.78 0.08 0.00 0.03 0.00 0.00 46.19 43.38 3kjk s LEU 24 CO -0.01 0.23 1.18 -0.44 0.23 0.00 0.00 176.35 177.54 3kjk s SER 25 N -1.74 3.74 0.04 2.29 0.01 -0.04 -4.24 113.70 113.76 3kjk s SER 25 Ca 0.29 2.28 0.00 0.00 1.31 0.00 0.00 55.95 59.83 3kjk s SER 25 Cb -0.13 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.52 3kjk s SER 25 CO 0.17 -2.56 0.00 0.61 0.41 0.00 0.00 173.24 171.87 3kjk n GLY 26 N 0.25 -2.19 3.64 3.44 0.00 -1.26 -4.62 105.19 104.45 3kjk n GLY 26 Ca 0.13 -0.74 -0.03 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.04 0.00 0.19 1.61 -7.23 -1.26 -4.91 120.40 108.77 3kjk s VAL 28 Ca 0.00 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 59.86 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 1.59 -2.84 -0.31 0.00 0.00 175.10 173.54 3kjk s PRO 29 N -1.13 4.19 -0.02 4.82 0.02 -1.26 -4.79 135.00 136.83 3kjk s PRO 29 Ca 0.08 2.43 0.15 0.00 0.02 0.00 0.00 61.00 63.67 3kjk s PRO 29 Cb -0.01 -3.12 -0.22 0.00 0.02 0.00 0.00 34.50 31.16 3kjk s PRO 29 CO -0.07 -0.62 0.31 0.39 -0.33 0.00 0.00 177.00 176.68 3kjk n GLU 30 N 3.65 0.48 -4.16 5.54 1.02 -1.26 -5.01 120.64 120.90 3kjk n GLU 30 Ca 0.13 -0.13 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 3kjk n GLU 30 Cb 0.38 -1.35 -0.10 0.00 -0.02 0.00 0.00 31.44 30.35 3kjk n GLU 30 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3kjk s ASN 31 N -3.71 0.81 0.00 1.62 0.01 -1.26 -5.15 114.94 107.26 3kjk s ASN 31 Ca -0.05 -1.09 0.00 0.00 -0.71 0.00 0.00 52.86 51.00 3kjk s ASN 31 Cb 0.09 0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.93 3kjk s ASN 31 CO 0.61 -0.59 0.00 0.61 -1.51 0.00 0.00 177.10 176.22 3kjk n GLY 32 N -0.07 0.31 0.53 0.66 0.00 -1.26 -4.32 105.19 101.04 3kjk n GLY 32 Ca -0.10 -1.65 -0.14 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 0.55 0.32 -1.58 1.61 -0.58 -1.26 -4.76 120.64 114.94 3kjk n GLU 33 Ca 0.00 0.14 -0.32 0.00 -0.42 0.00 0.00 57.16 56.56 3kjk n GLU 33 Cb 0.00 -1.04 0.06 0.00 -0.57 0.00 0.00 31.44 29.89 3kjk n GLU 33 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3kjk s THR 34 N -2.34 3.55 0.26 2.62 -4.23 -1.26 -4.84 115.64 109.40 3kjk s THR 34 Ca -0.20 0.59 -0.01 0.00 -1.18 0.00 0.00 61.69 60.89 3kjk s THR 34 Cb 0.07 -3.15 0.24 0.00 1.34 0.00 0.00 72.50 71.00 3kjk s THR 34 CO 0.26 -0.57 1.78 0.00 -0.54 0.00 0.00 174.62 175.54 3kjk h ALA 35 N -0.49 1.29 -0.66 3.99 0.00 -1.96 -0.73 119.26 120.70 3kjk h ALA 35 Ca -0.45 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 3kjk h ALA 35 Cb 1.23 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3kjk h ALA 35 CO 0.54 -0.03 0.30 0.00 0.00 0.00 0.00 179.25 180.06 3kjk h ALA 36 N 1.54 0.85 -0.41 0.00 0.00 -1.93 0.19 119.26 119.50 3kjk h ALA 36 Ca 0.46 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 3kjk h ALA 36 Cb 0.60 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kjk h ALA 36 CO -0.33 0.43 -0.30 0.93 0.00 0.00 0.00 179.25 179.98 3kjk h GLU 37 N 0.91 0.90 -0.02 0.00 5.08 -1.80 -2.50 114.58 117.16 3kjk h GLU 37 Ca 0.22 -0.42 -0.20 0.00 -1.00 0.00 0.00 59.36 57.96 3kjk h GLU 37 Cb 0.15 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3kjk h GLU 37 CO -0.02 1.07 -0.84 1.96 -1.00 0.00 0.00 179.01 180.18 3kjk h GLN 38 N 0.76 0.30 -0.49 2.33 4.20 -0.95 -1.98 115.11 119.28 3kjk h GLN 38 Ca 0.08 -0.30 -0.08 0.00 0.06 0.00 0.00 58.65 58.42 3kjk h GLN 38 Cb 0.86 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 3kjk h GLN 38 CO 0.08 0.98 -0.00 1.15 -0.67 0.00 0.00 178.83 180.37 3kjk h THR 39 N 0.18 1.26 -0.37 -0.54 2.02 -0.98 -1.29 112.91 113.20 3kjk h THR 39 Ca -0.05 -1.08 -0.06 0.00 0.77 0.00 0.00 66.41 65.99 3kjk h THR 39 Cb 1.45 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.83 3kjk h THR 39 CO 0.14 0.38 -0.03 0.00 0.37 0.00 0.00 175.52 176.37 3kjk h ALA 40 N 0.93 1.27 -0.23 6.16 0.00 -1.36 -0.45 119.26 125.57 3kjk h ALA 40 Ca 0.14 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3kjk h ALA 40 Cb 0.52 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kjk h ALA 40 CO 0.03 0.49 -0.26 0.22 0.00 0.00 0.00 179.25 179.73 3kjk h ASP 41 N 0.56 0.63 -0.60 0.00 3.58 -1.25 -2.27 116.42 117.07 3kjk h ASP 41 Ca 0.11 -0.48 -0.02 0.00 0.42 0.00 0.00 57.03 57.06 3kjk h ASP 41 Cb 0.40 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 3kjk h ASP 41 CO 0.02 0.98 0.31 0.58 -2.88 0.00 0.00 179.24 178.25 3kjk h VAL 42 N 0.28 1.21 -0.03 2.25 2.07 -0.97 -2.10 116.25 118.96 3kjk h VAL 42 Ca 0.03 -0.56 -0.12 0.00 0.82 0.00 0.00 66.70 66.88 3kjk h VAL 42 Cb 0.82 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3kjk h VAL 42 CO 0.06 0.23 -0.53 -0.07 0.02 0.00 0.00 177.57 177.28 3kjk h LEU 43 N 0.82 0.10 -0.63 2.57 3.38 -1.12 -1.83 115.31 118.59 3kjk h LEU 43 Ca 0.21 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3kjk h LEU 43 Cb 0.09 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3kjk h LEU 43 CO -0.03 0.61 0.19 0.00 0.09 0.00 0.00 178.44 179.30 3kjk h ALA 44 N 1.39 0.82 -0.51 1.53 0.00 -1.13 0.05 119.26 121.42 3kjk h ALA 44 Ca -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3kjk h ALA 44 Cb 0.96 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3kjk h ALA 44 CO 0.07 0.50 0.31 1.96 0.00 0.00 0.00 179.25 182.09 3kjk h GLN 45 N 0.90 0.68 -0.90 0.00 4.20 -1.08 -1.55 115.11 117.37 3kjk h GLN 45 Ca 0.20 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 3kjk h GLN 45 Cb 0.30 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 3kjk h GLN 45 CO -0.01 0.49 0.55 0.82 -0.67 0.00 0.00 178.83 180.01 3kjk h ILE 46 N 0.68 1.25 -0.73 2.54 2.04 -1.11 -1.41 117.51 120.77 3kjk h ILE 46 Ca 0.18 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 3kjk h ILE 46 Cb -0.03 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 35.99 3kjk h ILE 46 CO -0.04 0.26 0.38 0.44 0.00 0.00 0.00 178.15 179.19 3kjk h ASP 47 N 1.24 0.92 0.08 1.72 3.32 -0.56 -1.47 116.42 121.68 3kjk h ASP 47 Ca 0.33 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 3kjk h ASP 47 Cb -0.06 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.26 3kjk h ASP 47 CO -0.06 0.76 -0.04 -0.09 -1.72 0.00 0.00 179.24 178.08 3kjk h ARG 48 N 1.02 -0.11 -0.04 3.56 1.12 -0.88 -2.86 114.38 116.20 3kjk h ARG 48 Ca 0.26 0.01 -0.09 0.00 -1.11 0.00 0.00 59.98 59.04 3kjk h ARG 48 Cb 0.06 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.03 3kjk h ARG 48 CO -0.04 0.29 -0.40 -1.49 -3.11 0.00 0.00 179.97 175.23 3kjk h TRP 49 N -0.54 0.09 -0.23 2.20 4.06 -1.21 -2.06 115.95 118.25 3kjk h TRP 49 Ca -0.01 -0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.89 3kjk h TRP 49 Cb 0.45 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.58 3kjk h TRP 49 CO 0.06 0.47 0.03 -0.07 -3.56 0.00 0.00 178.44 175.37 3kjk h LEU 50 N 0.07 0.38 -1.34 -4.49 3.38 -1.34 -1.77 115.31 110.19 3kjk h LEU 50 Ca 0.00 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.71 3kjk h LEU 50 Cb 0.74 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 3kjk h LEU 50 CO 0.05 0.56 0.45 0.00 0.09 0.00 0.00 178.44 179.59 3kjk h ALA 51 N 0.83 1.53 -0.13 1.53 0.00 -1.28 0.37 119.26 122.11 3kjk h ALA 51 Ca 0.07 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3kjk h ALA 51 Cb 0.35 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3kjk h ALA 51 CO 0.01 0.44 -0.43 1.49 0.00 0.00 0.00 179.25 180.75 3kjk h GLU 52 N 0.91 0.31 -0.01 0.00 4.81 -1.21 -2.88 114.58 116.50 3kjk h GLU 52 Ca 0.25 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3kjk h GLU 52 Cb -0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3kjk h GLU 52 CO -0.06 0.69 -0.08 0.00 -0.73 0.00 0.00 179.01 178.83 3kjk n GLY 54 N 1.21 0.87 1.42 0.00 0.00 -0.69 -4.86 105.19 103.14 3kjk n GLY 54 Ca 0.17 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 1.35 0.47 -3.24 1.61 2.88 0.12 -2.78 113.62 114.04 3kjk n SER 55 Ca 0.00 -1.94 -0.09 0.00 -1.33 0.00 0.00 58.87 55.51 3kjk n SER 55 Cb 0.35 0.56 0.00 0.00 -0.75 0.00 0.00 64.21 64.38 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 0.05 0.54 -3.46 1.47 -1.26 -2.98 116.67 108.98 3kjk s ASP 56 Ca 0.12 -1.05 0.23 0.00 1.18 0.00 0.00 52.55 53.03 3kjk s ASP 56 Cb 0.01 0.79 1.47 0.00 -0.34 0.00 0.00 42.92 44.84 3kjk s ASP 56 CO 0.09 -1.54 2.15 0.07 0.68 0.00 0.00 175.17 176.63 3kjk h LYS 57 N 2.03 0.00 0.00 2.11 2.10 -1.93 -0.75 116.57 120.13 3kjk h LYS 57 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 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 0.36 0.05 0.00 0.00 -2.00 0.00 0.00 179.45 177.86 3kjk n ALA 58 N -2.41 2.39 -1.57 0.07 0.00 -1.26 -2.89 120.51 114.84 3kjk n ALA 58 Ca -0.03 -0.14 0.07 0.00 0.00 0.00 0.00 53.44 53.33 3kjk n ALA 58 Cb 0.13 -1.42 0.14 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.13 0.00 -2.81 0.00 8.25 -0.29 -4.97 115.22 114.27 3kjk n HIS 59 Ca 0.16 -1.06 -0.41 0.00 -0.26 0.00 0.00 57.72 56.16 3kjk n HIS 59 Cb 0.14 -0.18 -0.04 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 -2.40 4.68 -0.20 1.59 1.01 -1.14 -1.52 120.40 122.43 3kjk s VAL 60 Ca 0.32 1.92 -0.17 0.00 0.00 0.00 0.00 61.98 64.04 3kjk s VAL 60 Cb 0.31 -4.25 -0.20 0.00 0.00 0.00 0.00 36.38 32.23 3kjk s VAL 60 CO -0.04 0.29 0.19 0.18 0.00 0.00 0.00 175.10 175.72 3kjk n LEU 61 N 3.13 2.05 -3.84 3.92 4.77 0.40 -4.46 117.00 122.98 3kjk n LEU 61 Ca 0.02 0.36 -0.12 0.00 -0.03 0.00 0.00 56.01 56.23 3kjk n LEU 61 Cb 0.50 -0.99 -0.14 0.00 -2.33 0.00 0.00 43.42 40.47 3kjk n LEU 61 CO 0.50 0.44 -0.31 -0.62 -1.33 0.00 0.00 177.39 176.06 3kjk s ASP 62 N -6.95 -0.04 -0.03 -1.43 2.15 -0.65 -0.70 116.67 109.02 3kjk s ASP 62 Ca -0.28 0.09 -0.00 0.00 0.43 0.00 0.00 52.55 52.79 3kjk s ASP 62 Cb 0.07 0.08 0.03 0.00 -0.30 0.00 0.00 42.92 42.80 3kjk s ASP 62 CO 0.62 -0.03 0.02 0.00 -0.17 0.00 0.00 175.17 175.61 3kjk s ALA 63 N 0.16 0.30 -0.22 3.66 0.00 -0.10 -0.88 121.76 124.68 3kjk s ALA 63 Ca -0.01 0.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.07 3kjk s ALA 63 Cb -0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 3kjk s ALA 63 CO -0.00 -0.18 -0.03 0.08 0.00 0.00 0.00 175.76 175.62 3kjk s VAL 64 N 1.31 3.49 -0.34 0.00 1.01 -0.48 -1.35 120.40 124.04 3kjk s VAL 64 Ca -0.06 -0.45 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 3kjk s VAL 64 Cb -0.13 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.69 3kjk s VAL 64 CO -0.02 0.42 0.13 -0.63 0.00 0.00 0.00 175.10 175.00 3kjk s ILE 65 N 1.40 4.13 -0.23 2.22 1.01 0.92 -1.29 121.20 129.36 3kjk s ILE 65 Ca 0.05 -0.91 -0.16 0.00 0.00 0.00 0.00 60.65 59.63 3kjk s ILE 65 Cb -0.14 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 3kjk s ILE 65 CO -0.02 -0.13 0.41 -0.31 0.00 0.00 0.00 174.94 174.89 3kjk s TYR 66 N 1.48 3.32 -0.08 3.97 2.02 0.27 -1.24 117.35 127.09 3kjk s TYR 66 Ca 0.01 0.56 -0.00 0.00 -0.37 0.00 0.00 57.07 57.26 3kjk s TYR 66 Cb -0.19 -2.57 -0.03 0.00 -0.40 0.00 0.00 41.96 38.78 3kjk s TYR 66 CO 0.04 -0.11 -0.04 -0.51 -1.57 0.00 0.00 175.55 173.36 3kjk s LEU 67 N 1.67 3.34 0.18 -1.29 1.43 -0.15 -0.74 118.68 123.12 3kjk s LEU 67 Ca 0.18 0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 53.24 3kjk s LEU 67 Cb -0.15 -1.75 0.07 0.00 0.03 0.00 0.00 46.19 44.40 3kjk s LEU 67 CO 0.09 0.36 1.57 -0.09 0.23 0.00 0.00 176.35 178.51 3kjk h ARG 68 N 5.28 0.90 0.00 1.70 2.43 -1.12 0.17 114.38 123.74 3kjk h ARG 68 Ca -0.49 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.29 3kjk h ARG 68 Cb 1.18 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3kjk h ARG 68 CO 0.54 1.04 0.00 -3.47 -1.51 0.00 0.00 179.97 176.57 3kjk n ASP 69 N -4.10 0.36 0.00 -3.80 4.64 -1.26 -4.55 116.55 107.84 3kjk n ASP 69 Ca -0.00 -0.19 0.00 0.00 -1.38 0.00 0.00 54.79 53.22 3kjk n ASP 69 Cb 0.46 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.54 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 0.91 0.00 0.66 0.27 0.00 -1.26 -4.36 105.19 101.40 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 1.97 0.20 1.61 8.00 -1.26 -4.62 116.55 122.45 3kjk n ASP 72 Ca 0.00 -1.76 -0.15 0.00 0.71 0.00 0.00 54.79 53.59 3kjk n ASP 72 Cb 0.00 -0.13 -0.07 0.00 -0.02 0.00 0.00 41.12 40.90 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 2.61 -0.91 -0.74 1.24 3.20 -2.02 -2.80 116.97 117.55 3kjk h TYR 73 Ca 0.00 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3kjk h TYR 73 Cb 0.57 0.36 -0.03 0.00 1.54 0.00 0.00 36.73 39.17 3kjk h TYR 73 CO 0.13 -0.47 0.33 0.00 -1.64 0.00 0.00 178.16 176.50 3kjk h ALA 74 N -0.17 1.18 0.00 1.82 0.00 -1.99 -1.22 119.26 118.88 3kjk h ALA 74 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kjk h ALA 74 Cb 0.63 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3kjk h ALA 74 CO -0.08 0.61 0.00 -1.91 0.00 0.00 0.00 179.25 177.87 3kjk n GLU 75 N -4.31 0.37 0.00 0.00 2.13 -1.06 -1.69 120.64 116.09 3kjk n GLU 75 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 3kjk n GLU 75 Cb 0.16 -1.23 0.00 0.00 0.27 0.00 0.00 31.44 30.64 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 0.49 0.00 -0.34 4.31 3.02 -0.46 -3.30 115.26 118.98 3kjk n ASN 77 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.54 3kjk n ASN 77 Cb 0.12 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.41 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 1.33 0.87 7.41 0.00 -1.59 -0.67 103.07 110.41 3kjk h GLY 78 Ca 0.00 -0.46 -0.23 0.00 0.00 0.00 0.00 47.33 46.64 3kjk h GLY 78 CO 0.00 0.40 -1.01 -2.08 0.00 0.00 0.00 176.54 173.85 3kjk h VAL 79 N 1.17 1.44 -0.51 4.60 2.07 -1.85 -3.28 116.25 119.88 3kjk h VAL 79 Ca 0.36 -2.58 0.06 0.00 0.82 0.00 0.00 66.70 65.36 3kjk h VAL 79 Cb -0.02 3.14 -0.05 0.00 -1.52 0.00 0.00 31.29 32.84 3kjk h VAL 79 CO -0.11 0.74 0.22 -0.25 0.02 0.00 0.00 177.57 178.19 3kjk h TRP 80 N -0.20 0.39 -0.24 1.57 2.91 -1.84 -2.58 115.95 115.96 3kjk h TRP 80 Ca -0.18 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 59.80 3kjk h TRP 80 Cb 1.80 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 30.33 3kjk h TRP 80 CO 0.18 0.16 -0.14 -0.44 -1.03 0.00 0.00 178.44 177.17 3kjk h ASP 81 N 0.42 0.39 1.30 2.65 3.32 -1.26 -1.95 116.42 121.30 3kjk h ASP 81 Ca 0.24 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3kjk h ASP 81 Cb 0.21 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3kjk h ASP 81 CO -0.21 0.55 0.00 0.00 -1.72 0.00 0.00 179.24 177.86 3kjk h ALA 82 N 1.49 1.00 0.04 3.45 0.00 -1.54 -3.33 119.26 120.37 3kjk h ALA 82 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.60 3kjk h ALA 82 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3kjk h ALA 82 CO 0.03 0.00 -2.28 1.87 0.00 0.00 0.00 179.25 178.87 3kjk n TRP 83 N -2.34 0.46 -1.74 0.00 -0.00 -0.88 -4.99 117.44 107.95 3kjk n TRP 83 Ca 0.04 0.10 -0.38 0.00 -0.00 0.00 0.00 57.50 57.27 3kjk n TRP 83 Cb 0.38 -1.06 0.06 0.00 -0.00 0.00 0.00 31.31 30.68 3kjk n TRP 83 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 3kjk s VAL 84 N -2.53 2.00 -0.26 5.87 -7.23 -0.79 -4.93 120.40 112.54 3kjk s VAL 84 Ca -0.28 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.61 3kjk s VAL 84 Cb 0.08 -3.00 -0.01 0.00 0.56 0.00 0.00 36.38 34.01 3kjk s VAL 84 CO 0.68 -0.00 1.32 0.00 -0.31 0.00 0.00 175.10 176.79 3kjk s ALA 85 N -1.33 3.44 0.14 1.32 0.00 -1.26 -4.95 121.76 119.12 3kjk s ALA 85 Ca 0.77 0.23 -0.35 0.00 0.00 0.00 0.00 51.96 52.62 3kjk s ALA 85 Cb -0.40 -3.74 -0.16 0.00 0.00 0.00 0.00 23.12 18.83 3kjk s ALA 85 CO 0.45 -1.62 1.34 0.00 0.00 0.00 0.00 175.76 175.92 3kjk n ALA 86 N 7.41 -0.34 -0.63 0.00 0.00 -1.26 -0.93 120.51 124.77 3kjk n ALA 86 Ca 0.15 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.07 3kjk n ALA 86 Cb 0.46 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 2.49 1.22 2.52 0.00 0.00 -1.26 -4.78 105.19 105.38 3kjk n GLY 87 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 2.45 -2.43 1.61 1.74 -0.10 -5.09 116.66 112.84 3kjk n ARG 88 Ca 0.00 -3.78 -0.40 0.00 -0.77 0.00 0.00 57.85 52.90 3kjk n ARG 88 Cb 0.00 -1.85 -0.04 0.00 -1.02 0.00 0.00 32.46 29.55 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 -4.13 3.39 0.75 0.55 -4.23 -1.17 -4.57 115.64 106.22 3kjk s THR 89 Ca 0.37 1.36 -0.06 0.00 -1.18 0.00 0.00 61.69 62.18 3kjk s THR 89 Cb 0.37 -3.85 0.11 0.00 1.34 0.00 0.00 72.50 70.46 3kjk s THR 89 CO -0.01 0.30 1.05 -2.16 -0.54 0.00 0.00 174.62 173.25 3kjk s PRO 90 N -1.61 1.75 0.44 3.99 0.04 -1.26 -5.04 135.00 133.30 3kjk s PRO 90 Ca 0.47 -0.62 -0.25 0.00 0.04 0.00 0.00 61.00 60.63 3kjk s PRO 90 Cb -0.32 -2.19 -0.08 0.00 0.04 0.00 0.00 34.50 31.95 3kjk s PRO 90 CO 0.41 -1.49 1.33 0.00 0.04 0.00 0.00 177.00 177.29 3kjk s ALA 91 N -3.29 3.18 -0.07 8.56 0.00 0.13 -4.91 121.76 125.36 3kjk s ALA 91 Ca 0.65 1.28 -0.07 0.00 0.00 0.00 0.00 51.96 53.81 3kjk s ALA 91 Cb -0.08 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.55 3kjk s ALA 91 CO 0.46 -0.96 0.20 0.50 0.00 0.00 0.00 175.76 175.95 3kjk s ARG 92 N -2.41 0.24 -0.01 0.00 3.52 -1.26 -0.92 118.95 118.12 3kjk s ARG 92 Ca 0.60 0.25 0.01 0.00 -0.13 0.00 0.00 55.73 56.46 3kjk s ARG 92 Cb -0.39 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.12 3kjk s ARG 92 CO 0.49 -0.03 -0.04 0.00 -0.81 0.00 0.00 175.30 174.92 3kjk s ALA 93 N 0.03 0.35 -0.05 6.12 0.00 -0.45 -4.99 121.76 122.77 3kjk s ALA 93 Ca -0.01 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.85 3kjk s ALA 93 Cb -0.02 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.98 3kjk s ALA 93 CO 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 175.76 175.71 3kjk s VAL 95 N 0.52 0.05 -0.27 0.00 0.11 -0.37 -4.99 120.40 115.45 3kjk s VAL 95 Ca -0.10 -0.45 -0.17 0.00 -2.93 0.00 0.00 61.98 58.33 3kjk s VAL 95 Cb -0.13 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.05 3kjk s VAL 95 CO 0.02 -0.25 0.45 -0.70 -3.33 0.00 0.00 175.10 171.30 3kjk s GLU 96 N -1.31 4.02 -0.25 1.54 2.12 -1.26 -0.98 118.70 122.58 3kjk s GLU 96 Ca -0.13 0.18 -0.13 0.00 0.36 0.00 0.00 54.97 55.24 3kjk s GLU 96 Cb -0.05 -3.66 0.08 0.00 0.26 0.00 0.00 34.13 30.76 3kjk s GLU 96 CO 0.05 -0.33 0.60 0.00 -0.54 0.00 0.00 175.26 175.03 3kjk s ALA 97 N 2.21 -1.65 0.56 6.30 0.00 0.59 -4.93 121.76 124.85 3kjk s ALA 97 Ca 0.18 2.15 -0.20 0.00 0.00 0.00 0.00 51.96 54.09 3kjk s ALA 97 Cb -0.16 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 3kjk s ALA 97 CO 0.10 -0.42 1.27 1.03 0.00 0.00 0.00 175.76 177.74 3kjk s ARG 98 N 1.74 3.11 0.53 0.00 0.52 -1.26 -3.74 118.95 119.84 3kjk s ARG 98 Ca -0.09 2.01 0.04 0.00 -0.52 0.00 0.00 55.73 57.17 3kjk s ARG 98 Cb -0.07 -2.12 0.04 0.00 0.52 0.00 0.00 34.95 33.32 3kjk s ARG 98 CO -0.18 -1.15 0.33 1.28 0.02 0.00 0.00 175.30 175.61 3kjk n LEU 99 N -1.23 0.00 -0.22 2.53 4.77 -1.26 -5.02 117.00 116.56 3kjk n LEU 99 Ca 0.12 -2.83 -0.02 0.00 -0.03 0.00 0.00 56.01 53.25 3kjk n LEU 99 Cb 0.47 0.02 0.09 0.00 -2.33 0.00 0.00 43.42 41.68 3kjk n LEU 99 CO 0.48 -0.56 1.08 0.00 -1.33 0.00 0.00 177.39 177.07 3kjk h ALA 100 N 0.77 0.86 -3.59 -1.18 0.00 -1.96 -3.41 119.26 110.75 3kjk h ALA 100 Ca -0.35 0.02 -0.68 0.00 0.00 0.00 0.00 54.91 53.90 3kjk h ALA 100 Cb 1.24 -0.11 -0.17 0.00 0.00 0.00 0.00 17.79 18.74 3kjk h ALA 100 CO 0.55 0.03 -0.69 1.03 0.00 0.00 0.00 179.25 180.17 3kjk s ARG 101 N -6.10 2.62 0.48 0.00 0.52 -1.26 -5.02 118.95 110.18 3kjk s ARG 101 Ca -0.13 -0.67 0.18 0.00 -0.52 0.00 0.00 55.73 54.59 3kjk s ARG 101 Cb 0.16 -2.54 1.17 0.00 0.52 0.00 0.00 34.95 34.26 3kjk s ARG 101 CO 0.76 0.62 2.04 -1.35 0.02 0.00 0.00 175.30 177.38 3kjk h PRO 102 N 4.66 0.00 0.00 3.54 0.11 -2.03 -2.38 132.00 135.90 3kjk h PRO 102 Ca -0.49 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3kjk h PRO 102 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kjk h PRO 102 CO 0.54 0.15 -0.16 0.93 -0.21 0.00 0.00 178.00 179.24 3kjk h GLU 103 N 0.00 0.00 -6.23 1.05 3.07 -1.95 -3.44 114.58 107.08 3kjk h GLU 103 Ca -0.00 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.30 3kjk h GLU 103 Cb 0.28 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.15 3kjk h GLU 103 CO 0.02 0.16 0.59 -1.58 -1.40 0.00 0.00 179.01 176.80 3kjk s TRP 104 N -3.77 3.49 -0.12 4.33 0.51 -0.90 -4.92 118.94 117.56 3kjk s TRP 104 Ca -0.00 1.57 0.22 0.00 -2.12 0.00 0.00 56.10 55.77 3kjk s TRP 104 Cb 0.11 -3.19 -0.31 0.00 -0.81 0.00 0.00 33.47 29.27 3kjk s TRP 104 CO 0.61 -0.25 0.55 0.54 -0.51 0.00 0.00 176.95 177.88 3kjk n ARG 105 N 5.17 0.61 -3.78 4.98 1.74 -1.26 -4.66 116.66 119.45 3kjk n ARG 105 Ca 0.09 -0.17 -0.13 0.00 -0.77 0.00 0.00 57.85 56.88 3kjk n ARG 105 Cb 0.48 -1.54 -0.11 0.00 -1.02 0.00 0.00 32.46 30.28 3kjk n ARG 105 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kjk s VAL 106 N -3.47 0.01 -0.02 1.55 0.11 -1.26 -0.92 120.40 116.39 3kjk s VAL 106 Ca -0.06 -0.06 0.01 0.00 -2.93 0.00 0.00 61.98 58.93 3kjk s VAL 106 Cb 0.14 -0.41 0.01 0.00 -1.53 0.00 0.00 36.38 34.59 3kjk s VAL 106 CO 0.90 -0.04 -0.03 -0.70 -3.33 0.00 0.00 175.10 171.91 3kjk s GLU 107 N -0.03 0.45 -0.08 1.54 2.12 0.08 -4.25 118.70 118.53 3kjk s GLU 107 Ca -0.02 -0.06 0.04 0.00 0.36 0.00 0.00 54.97 55.30 3kjk s GLU 107 Cb -0.02 -0.51 -0.00 0.00 0.26 0.00 0.00 34.13 33.85 3kjk s GLU 107 CO 0.01 -0.03 -0.22 0.42 -0.54 0.00 0.00 175.26 174.90 3kjk s ILE 108 N 0.56 1.86 -0.17 -3.70 1.01 -1.26 -0.57 121.20 118.93 3kjk s ILE 108 Ca -0.06 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.68 3kjk s ILE 108 Cb -0.09 -1.60 0.01 0.00 0.01 0.00 0.00 42.46 40.79 3kjk s ILE 108 CO -0.01 0.52 -0.19 -0.75 0.00 0.00 0.00 174.94 174.51 3kjk s LYS 109 N 0.24 3.05 -0.03 2.79 2.20 -0.42 -4.38 119.74 123.20 3kjk s LYS 109 Ca -0.13 -0.81 0.03 0.00 -0.36 0.00 0.00 55.97 54.69 3kjk s LYS 109 Cb -0.16 -2.57 -0.03 0.00 -1.51 0.00 0.00 37.83 33.56 3kjk s LYS 109 CO 0.06 -0.13 -0.08 0.42 -0.36 0.00 0.00 175.35 175.26 3kjk s ILE 110 N 1.13 3.57 -0.07 5.43 -1.09 -1.26 -1.39 121.20 127.53 3kjk s ILE 110 Ca 0.01 -0.68 0.05 0.00 -2.23 0.00 0.00 60.65 57.80 3kjk s ILE 110 Cb -0.14 -2.50 -0.00 0.00 -1.58 0.00 0.00 42.46 38.23 3kjk s ILE 110 CO -0.08 0.49 -0.21 -0.89 -1.23 0.00 0.00 174.94 173.02 3kjk s THR 111 N -0.90 1.76 0.33 2.92 2.01 -0.06 -1.88 115.64 119.82 3kjk s THR 111 Ca 0.15 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.30 3kjk s THR 111 Cb -0.11 -1.52 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 3kjk s THR 111 CO 0.04 0.50 0.35 0.00 -0.69 0.00 0.00 174.62 174.82 3kjk s ALA 112 N 0.14 1.43 -0.00 7.40 0.00 -0.11 -0.45 121.76 130.17 3kjk s ALA 112 Ca -0.09 -1.86 0.04 0.00 0.00 0.00 0.00 51.96 50.05 3kjk s ALA 112 Cb -0.15 1.35 -0.01 0.00 0.00 0.00 0.00 23.12 24.32 3kjk s ALA 112 CO 0.05 -0.71 -0.11 0.54 0.00 0.00 0.00 175.76 175.52 3kjk s VAL 113 N -3.31 0.90 0.50 0.00 0.11 -0.57 -0.38 120.40 117.66 3kjk s VAL 113 Ca 0.37 -0.57 -0.22 0.00 -2.93 0.00 0.00 61.98 58.63 3kjk s VAL 113 Cb 0.01 -0.77 -0.06 0.00 -1.53 0.00 0.00 36.38 34.03 3kjk s VAL 113 CO 0.24 0.20 1.25 -0.54 -3.33 0.00 0.00 175.10 172.92 3kjk s LYS 114 N -0.42 3.46 -0.34 1.54 1.02 -0.18 -4.70 119.74 120.11 3kjk s LYS 114 Ca 0.04 1.97 -0.28 0.00 0.02 0.00 0.00 55.97 57.72 3kjk s LYS 114 Cb -0.05 -2.32 -0.02 0.00 -0.52 0.00 0.00 37.83 34.92 3kjk s LYS 114 CO -0.00 -0.85 1.83 1.03 -0.92 0.00 0.00 175.35 176.43 3kjk s ARG 115 N -2.81 3.27 0.00 1.68 0.52 -1.12 -5.02 118.95 115.47 3kjk s ARG 115 Ca 0.68 1.40 0.00 0.00 -0.52 0.00 0.00 55.73 57.29 3kjk s ARG 115 Cb -0.34 -4.22 0.00 0.00 0.52 0.00 0.00 34.95 30.91 3kjk s ARG 115 CO 0.40 -1.93 0.43 -3.47 0.02 0.00 0.00 175.30 170.75