#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 4.46 -0.12 0.53 1.01 -1.26 -3.99 121.20 121.83 3kjk s ILE 3 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.47 3kjk s ILE 3 Cb 0.00 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 3kjk s ILE 3 CO 0.00 0.41 0.03 -0.13 0.00 0.00 0.00 174.94 175.26 3kjk s ARG 4 N 0.88 3.32 -0.10 2.79 0.52 -0.06 -4.98 118.95 121.33 3kjk s ARG 4 Ca 0.03 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 54.90 3kjk s ARG 4 Cb -0.14 -2.95 -0.02 0.00 0.52 0.00 0.00 34.95 32.36 3kjk s ARG 4 CO 0.02 0.59 -0.14 0.71 0.02 0.00 0.00 175.30 176.50 3kjk s TYR 5 N -0.55 2.75 -0.03 -0.53 2.02 -1.26 -1.11 117.35 118.64 3kjk s TYR 5 Ca 0.10 -0.48 0.06 0.00 -0.37 0.00 0.00 57.07 56.38 3kjk s TYR 5 Cb -0.12 -1.75 -0.01 0.00 -0.40 0.00 0.00 41.96 39.67 3kjk s TYR 5 CO 0.02 -0.07 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.66 3kjk s PHE 6 N -0.06 1.96 -1.34 2.71 0.08 0.54 -4.78 117.98 117.10 3kjk s PHE 6 Ca -0.03 -0.45 -0.03 0.00 0.12 0.00 0.00 56.93 56.54 3kjk s PHE 6 Cb -0.14 -1.28 -0.00 0.00 -0.57 0.00 0.00 43.02 41.03 3kjk s PHE 6 CO 0.04 -0.09 0.56 0.41 -0.10 0.00 0.00 175.22 176.04 3kjk n GLY 7 N 2.74 -0.35 3.72 4.36 0.00 -1.26 -1.27 105.19 113.13 3kjk n GLY 7 Ca -0.16 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.80 3.75 0.39 2.61 2.01 -1.26 -2.41 115.64 116.93 3kjk s THR 8 Ca 0.07 1.33 0.08 0.00 0.31 0.00 0.00 61.69 63.47 3kjk s THR 8 Cb -0.02 -3.85 -0.08 0.00 0.01 0.00 0.00 72.50 68.56 3kjk s THR 8 CO 0.86 0.14 -0.02 0.42 -0.69 0.00 0.00 174.62 175.34 3kjk s THR 9 N 0.66 2.03 0.37 -0.82 -4.23 0.13 -4.97 115.64 108.81 3kjk s THR 9 Ca 0.57 -2.06 0.30 0.00 -1.18 0.00 0.00 61.69 59.33 3kjk s THR 9 Cb -0.32 -2.89 0.30 0.00 1.34 0.00 0.00 72.50 70.93 3kjk s THR 9 CO 0.32 -0.06 1.92 -0.65 -0.54 0.00 0.00 174.62 175.61 3kjk h PRO 10 N 1.86 0.00 0.00 3.99 0.11 -2.05 -3.15 132.00 132.76 3kjk h PRO 10 Ca -0.43 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.39 3kjk h PRO 10 Cb 1.24 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 3kjk h PRO 10 CO 0.78 0.00 -2.09 -2.13 -0.21 0.00 0.00 178.00 174.34 3kjk n ARG 11 N -2.68 1.07 -3.67 1.05 0.63 -1.26 -5.08 116.66 106.72 3kjk n ARG 11 Ca -0.02 0.04 -0.07 0.00 -0.92 0.00 0.00 57.85 56.88 3kjk n ARG 11 Cb 0.19 -1.40 -0.02 0.00 0.45 0.00 0.00 32.46 31.68 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 -2.38 -0.28 0.04 -0.14 -0.85 -1.19 -5.16 117.35 107.39 3kjk s TYR 12 Ca -0.15 -0.03 0.05 0.00 -0.52 0.00 0.00 57.07 56.42 3kjk s TYR 12 Cb 0.06 0.63 -0.04 0.00 0.38 0.00 0.00 41.96 42.99 3kjk s TYR 12 CO 0.56 -0.93 -0.08 -1.12 -1.52 0.00 0.00 175.55 172.46 3kjk s SER 13 N -2.82 4.51 0.35 -0.18 0.01 -1.26 0.20 113.70 114.52 3kjk s SER 13 Ca 0.08 -0.25 0.14 0.00 1.31 0.00 0.00 55.95 57.23 3kjk s SER 13 Cb -0.03 -0.97 0.66 0.00 0.21 0.00 0.00 66.02 65.89 3kjk s SER 13 CO -0.01 0.24 1.77 -0.33 0.41 0.00 0.00 173.24 175.31 3kjk h GLU 14 N 4.16 0.00 -2.73 12.44 4.39 -0.82 -3.38 114.58 128.64 3kjk h GLU 14 Ca -0.48 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.10 3kjk h GLU 14 Cb 1.17 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 29.59 3kjk h GLU 14 CO 0.53 0.42 -0.21 0.00 -1.16 0.00 0.00 179.01 178.60 3kjk s ALA 15 N -3.95 -1.04 -0.05 3.43 0.00 -1.00 -0.93 121.76 118.22 3kjk s ALA 15 Ca -0.02 1.06 0.03 0.00 0.00 0.00 0.00 51.96 53.03 3kjk s ALA 15 Cb 0.13 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.72 3kjk s ALA 15 CO 0.72 -0.22 -0.12 0.08 0.00 0.00 0.00 175.76 176.22 3kjk s VAL 16 N -0.10 1.08 -0.06 0.00 1.01 -0.15 -0.34 120.40 121.85 3kjk s VAL 16 Ca -0.03 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.53 3kjk s VAL 16 Cb -0.03 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 3kjk s VAL 16 CO 0.02 0.33 -0.25 -0.83 0.00 0.00 0.00 175.10 174.37 3kjk s GLY 17 N 0.44 1.30 -0.09 4.51 0.00 -0.27 -0.16 107.32 113.05 3kjk s GLY 17 Ca -0.10 -1.05 -0.05 0.00 0.00 0.00 0.00 44.72 43.53 3kjk s GLY 17 CO 0.02 -0.66 0.21 0.00 0.00 0.00 0.00 173.10 172.67 3kjk s ALA 18 N -0.20 -0.46 -1.39 3.20 0.00 0.07 -0.88 121.76 122.11 3kjk s ALA 18 Ca -0.03 0.84 -0.09 0.00 0.00 0.00 0.00 51.96 52.68 3kjk s ALA 18 Cb -0.13 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.46 3kjk s ALA 18 CO 0.03 -0.17 0.37 -1.71 0.00 0.00 0.00 175.76 174.28 3kjk n ASN 19 N 4.04 -1.21 0.00 0.00 5.15 -1.26 -0.39 115.26 121.59 3kjk n ASN 19 Ca -0.24 -1.16 0.00 0.00 -0.60 0.00 0.00 54.58 52.58 3kjk n ASN 19 Cb 0.53 -2.30 0.00 0.00 -0.53 0.00 0.00 39.78 37.48 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 -2.18 2.85 3.84 8.20 0.00 -1.26 -5.00 105.19 111.64 3kjk n GLY 20 Ca -0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 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 4.22 -0.07 0.99 1.43 0.47 0.26 118.68 125.98 3kjk s LEU 21 Ca 0.00 1.24 0.01 0.00 -1.03 0.00 0.00 54.13 54.36 3kjk s LEU 21 Cb 0.00 -3.71 0.02 0.00 0.03 0.00 0.00 46.19 42.52 3kjk s LEU 21 CO 0.00 -0.05 -0.10 -0.63 0.23 0.00 0.00 176.35 175.80 3kjk s ILE 22 N -1.71 1.02 -0.22 -0.59 1.01 0.12 -0.76 121.20 120.07 3kjk s ILE 22 Ca 0.46 -0.37 -0.00 0.00 0.00 0.00 0.00 60.65 60.74 3kjk s ILE 22 Cb -0.13 -0.97 0.02 0.00 0.01 0.00 0.00 42.46 41.39 3kjk s ILE 22 CO 0.19 0.34 -0.12 -0.36 0.00 0.00 0.00 174.94 175.00 3kjk s PHE 23 N 0.98 2.96 0.19 3.97 0.08 0.77 -0.58 117.98 126.35 3kjk s PHE 23 Ca -0.09 -1.58 -0.10 0.00 0.12 0.00 0.00 56.93 55.28 3kjk s PHE 23 Cb -0.15 -2.00 -0.07 0.00 -0.57 0.00 0.00 43.02 40.24 3kjk s PHE 23 CO 0.00 -0.75 0.51 -0.51 -0.10 0.00 0.00 175.22 174.37 3kjk s LEU 24 N 1.31 4.23 0.88 -0.37 1.43 -0.75 -0.97 118.68 124.43 3kjk s LEU 24 Ca 0.02 0.89 -0.10 0.00 -1.03 0.00 0.00 54.13 53.91 3kjk s LEU 24 Cb -0.15 -3.50 0.12 0.00 0.03 0.00 0.00 46.19 42.69 3kjk s LEU 24 CO -0.08 -0.00 1.13 -0.44 0.23 0.00 0.00 176.35 177.19 3kjk s SER 25 N -2.21 3.32 0.12 2.29 0.01 -0.10 -4.36 113.70 112.76 3kjk s SER 25 Ca 0.44 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.80 3kjk s SER 25 Cb -0.12 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.55 3kjk s SER 25 CO 0.21 -2.83 0.00 0.61 0.41 0.00 0.00 173.24 171.63 3kjk n GLY 26 N -0.15 -2.53 3.65 3.44 0.00 -1.26 -4.60 105.19 103.73 3kjk n GLY 26 Ca 0.11 -0.85 -0.02 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.12 0.00 0.32 1.61 -7.23 -1.26 -4.93 120.40 108.80 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 -0.10 0.00 0.56 0.00 0.00 36.38 35.84 3kjk s VAL 28 CO 0.00 0.00 1.27 -2.84 -0.31 0.00 0.00 175.10 173.22 3kjk s PRO 29 N -1.50 4.41 -0.01 4.82 0.02 -1.26 -4.82 135.00 136.66 3kjk s PRO 29 Ca 0.11 2.13 0.10 0.00 0.02 0.00 0.00 61.00 63.36 3kjk s PRO 29 Cb -0.01 -3.10 -0.13 0.00 0.02 0.00 0.00 34.50 31.29 3kjk s PRO 29 CO -0.06 -0.11 0.31 0.39 -0.33 0.00 0.00 177.00 177.21 3kjk n GLU 30 N 0.90 2.09 -3.86 5.54 1.02 -1.26 -5.03 120.64 120.03 3kjk n GLU 30 Ca -0.00 -0.04 -0.10 0.00 -0.02 0.00 0.00 57.16 56.99 3kjk n GLU 30 Cb 0.42 -1.09 -0.09 0.00 -0.02 0.00 0.00 31.44 30.67 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 -2.52 0.06 0.00 1.62 0.01 -1.26 -5.15 114.94 107.71 3kjk s ASN 31 Ca 0.00 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 51.75 3kjk s ASN 31 Cb 0.07 0.28 0.00 0.00 0.41 0.00 0.00 41.25 42.00 3kjk s ASN 31 CO 0.40 -0.55 0.00 0.61 -1.51 0.00 0.00 177.10 176.06 3kjk n GLY 32 N 0.70 0.41 0.21 0.66 0.00 -1.26 -4.25 105.19 101.66 3kjk n GLY 32 Ca -0.19 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 0.50 0.00 -1.93 1.61 1.02 -1.26 -4.75 120.64 115.83 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 -0.79 0.01 0.00 -0.02 0.00 0.00 31.44 30.65 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 -1.79 4.54 0.32 2.62 -4.23 -1.26 -4.89 115.64 110.95 3kjk s THR 34 Ca 0.00 0.77 0.02 0.00 -1.18 0.00 0.00 61.69 61.30 3kjk s THR 34 Cb 0.00 -3.81 0.28 0.00 1.34 0.00 0.00 72.50 70.31 3kjk s THR 34 CO 0.00 -1.05 1.94 0.00 -0.54 0.00 0.00 174.62 174.97 3kjk h ALA 35 N -0.33 1.55 -0.41 3.99 0.00 -1.96 -1.38 119.26 120.72 3kjk h ALA 35 Ca -0.44 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3kjk h ALA 35 Cb 1.20 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3kjk h ALA 35 CO 0.62 0.35 0.18 0.00 0.00 0.00 0.00 179.25 180.40 3kjk h ALA 36 N 1.54 0.53 -0.29 0.00 0.00 -1.94 -0.69 119.26 118.41 3kjk h ALA 36 Ca 0.34 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3kjk h ALA 36 Cb 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kjk h ALA 36 CO -0.11 0.12 -0.15 0.93 0.00 0.00 0.00 179.25 180.03 3kjk h GLU 37 N 0.53 0.62 -0.24 0.00 5.08 -1.86 -2.51 114.58 116.19 3kjk h GLU 37 Ca 0.14 -0.28 -0.14 0.00 -1.00 0.00 0.00 59.36 58.08 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 -0.01 0.86 -0.44 1.96 -1.00 0.00 0.00 179.01 180.38 3kjk h GLN 38 N 0.37 0.60 -0.56 2.33 4.20 -1.22 -1.79 115.11 119.03 3kjk h GLN 38 Ca 0.06 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.45 3kjk h GLN 38 Cb 0.68 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.44 3kjk h GLN 38 CO 0.05 0.92 0.36 1.15 -0.67 0.00 0.00 178.83 180.63 3kjk h THR 39 N 0.48 1.16 -0.14 -0.54 2.02 -1.14 -1.19 112.91 113.55 3kjk h THR 39 Ca 0.03 -0.33 0.01 0.00 0.77 0.00 0.00 66.41 66.89 3kjk h THR 39 Cb 0.95 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3kjk h THR 39 CO 0.09 0.16 0.07 0.00 0.37 0.00 0.00 175.52 176.21 3kjk h ALA 40 N 1.19 0.17 -0.67 6.16 0.00 -1.09 -1.16 119.26 123.86 3kjk h ALA 40 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3kjk h ALA 40 Cb -0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3kjk h ALA 40 CO -0.04 -0.37 0.44 0.22 0.00 0.00 0.00 179.25 179.50 3kjk h ASP 41 N 0.15 0.75 -0.46 0.00 3.58 -1.20 -0.74 116.42 118.51 3kjk h ASP 41 Ca 0.06 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.44 3kjk h ASP 41 Cb 0.01 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.86 3kjk h ASP 41 CO -0.04 0.54 0.09 0.58 -2.88 0.00 0.00 179.24 177.53 3kjk h VAL 42 N 0.88 1.24 0.00 2.25 2.07 -1.02 -1.73 116.25 119.95 3kjk h VAL 42 Ca 0.25 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 3kjk h VAL 42 Cb -0.08 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3kjk h VAL 42 CO -0.06 0.31 -0.22 -0.07 0.02 0.00 0.00 177.57 177.54 3kjk h LEU 43 N 0.62 0.00 -0.07 2.57 3.38 -0.89 -1.28 115.31 119.63 3kjk h LEU 43 Ca 0.14 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.86 3kjk h LEU 43 Cb 0.36 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.12 3kjk h LEU 43 CO 0.01 0.22 -0.93 0.00 0.09 0.00 0.00 178.44 177.83 3kjk h ALA 44 N 1.78 0.21 -0.26 1.53 0.00 -0.80 -2.22 119.26 119.49 3kjk h ALA 44 Ca -0.00 -0.66 0.03 0.00 0.00 0.00 0.00 54.91 54.28 3kjk h ALA 44 Cb 0.61 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3kjk h ALA 44 CO 0.03 0.69 0.07 1.96 0.00 0.00 0.00 179.25 182.00 3kjk h GLN 45 N 0.46 0.18 -0.91 0.00 4.20 -0.97 -1.69 115.11 116.38 3kjk h GLN 45 Ca -0.10 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.67 3kjk h GLN 45 Cb 1.57 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 29.25 3kjk h GLN 45 CO 0.19 0.12 0.57 0.82 -0.67 0.00 0.00 178.83 179.85 3kjk h ILE 46 N 0.18 1.03 -0.38 2.54 2.04 -1.25 0.18 117.51 121.86 3kjk h ILE 46 Ca 0.12 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.65 3kjk h ILE 46 Cb 0.10 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.08 3kjk h ILE 46 CO -0.14 0.19 0.21 0.44 0.00 0.00 0.00 178.15 178.85 3kjk h ASP 47 N 1.02 0.34 -0.29 1.72 3.32 -0.93 0.89 116.42 122.49 3kjk h ASP 47 Ca 0.41 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.40 3kjk h ASP 47 Cb 0.22 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3kjk h ASP 47 CO -0.19 0.25 -0.06 0.03 -1.72 0.00 0.00 179.24 177.54 3kjk h ARG 48 N 0.43 0.56 -0.45 3.56 3.08 -0.36 -1.47 114.38 119.73 3kjk h ARG 48 Ca 0.15 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 3kjk h ARG 48 Cb 0.02 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3kjk h ARG 48 CO -0.08 0.75 -0.02 -1.49 -1.07 0.00 0.00 179.97 178.06 3kjk h TRP 49 N 0.32 0.89 -0.97 3.04 4.06 -0.93 -0.93 115.95 121.43 3kjk h TRP 49 Ca 0.07 -0.16 0.04 0.00 2.06 0.00 0.00 58.89 60.90 3kjk h TRP 49 Cb 0.54 -0.23 -0.06 0.00 -1.00 0.00 0.00 29.16 28.41 3kjk h TRP 49 CO 0.05 0.87 0.63 -0.07 -3.56 0.00 0.00 178.44 176.36 3kjk h LEU 50 N 0.66 1.05 -0.49 -4.49 3.38 -0.79 -1.67 115.31 112.96 3kjk h LEU 50 Ca 0.13 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3kjk h LEU 50 Cb 0.53 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3kjk h LEU 50 CO 0.03 0.71 0.21 0.00 0.09 0.00 0.00 178.44 179.48 3kjk h ALA 51 N 1.41 0.63 -0.52 1.53 0.00 -0.97 0.61 119.26 121.95 3kjk h ALA 51 Ca 0.39 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.23 3kjk h ALA 51 Cb 0.03 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 3kjk h ALA 51 CO -0.13 0.23 0.19 0.93 0.00 0.00 0.00 179.25 180.47 3kjk h GLU 52 N 0.65 0.36 -0.44 0.00 4.39 -0.54 -2.38 114.58 116.62 3kjk h GLU 52 Ca 0.16 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3kjk h GLU 52 Cb 0.17 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3kjk h GLU 52 CO -0.02 0.24 0.00 0.00 -1.16 0.00 0.00 179.01 178.07 3kjk n GLY 54 N 0.53 0.11 0.72 0.00 0.00 -0.89 -4.79 105.19 100.87 3kjk n GLY 54 Ca 0.06 -0.39 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.13 1.15 -3.21 1.61 2.88 0.21 -2.55 113.62 113.58 3kjk n SER 55 Ca -0.06 -1.46 -0.06 0.00 -1.33 0.00 0.00 58.87 55.95 3kjk n SER 55 Cb 0.56 0.20 0.02 0.00 -0.75 0.00 0.00 64.21 64.24 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 -1.54 -0.03 0.59 -3.46 1.47 -1.26 -3.40 116.67 109.04 3kjk s ASP 56 Ca 0.04 -0.90 0.35 0.00 1.18 0.00 0.00 52.55 53.22 3kjk s ASP 56 Cb 0.00 0.70 1.82 0.00 -0.34 0.00 0.00 42.92 45.11 3kjk s ASP 56 CO 0.03 -1.39 2.18 0.07 0.68 0.00 0.00 175.17 176.74 3kjk h LYS 57 N 2.00 0.00 0.00 2.11 2.10 -1.93 -1.47 116.57 119.38 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 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3kjk h LYS 57 CO 0.36 0.04 0.00 0.00 -2.00 0.00 0.00 179.45 177.86 3kjk n ALA 58 N -2.18 2.57 -1.31 0.07 0.00 -1.26 -3.17 120.51 115.24 3kjk n ALA 58 Ca -0.02 -0.18 0.08 0.00 0.00 0.00 0.00 53.44 53.32 3kjk n ALA 58 Cb 0.18 -1.48 0.11 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.03 0.00 -2.75 0.00 8.25 -0.55 -4.97 115.22 114.17 3kjk n HIS 59 Ca 0.21 -0.82 -0.42 0.00 -0.26 0.00 0.00 57.72 56.44 3kjk n HIS 59 Cb 0.11 -0.14 -0.03 0.00 1.12 0.00 0.00 29.99 31.06 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 -2.27 4.87 -0.16 1.59 1.01 -1.19 -1.71 120.40 122.55 3kjk s VAL 60 Ca 0.26 1.97 -0.10 0.00 0.00 0.00 0.00 61.98 64.10 3kjk s VAL 60 Cb 0.23 -4.28 -0.23 0.00 0.00 0.00 0.00 36.38 32.10 3kjk s VAL 60 CO 0.02 0.13 0.27 0.18 0.00 0.00 0.00 175.10 175.70 3kjk n LEU 61 N 4.17 2.44 -3.77 3.92 4.77 -0.10 -4.35 117.00 124.07 3kjk n LEU 61 Ca 0.06 0.25 -0.13 0.00 -0.03 0.00 0.00 56.01 56.16 3kjk n LEU 61 Cb 0.50 -1.06 -0.11 0.00 -2.33 0.00 0.00 43.42 40.42 3kjk n LEU 61 CO 0.51 0.70 -0.04 -0.62 -1.33 0.00 0.00 177.39 176.62 3kjk s ASP 62 N -6.98 -0.30 -0.08 -1.43 2.15 -0.97 -1.24 116.67 107.81 3kjk s ASP 62 Ca -0.25 0.56 -0.03 0.00 0.43 0.00 0.00 52.55 53.26 3kjk s ASP 62 Cb 0.07 0.59 0.05 0.00 -0.30 0.00 0.00 42.92 43.32 3kjk s ASP 62 CO 0.71 -0.12 0.13 0.00 -0.17 0.00 0.00 175.17 175.71 3kjk s ALA 63 N 0.07 -0.01 -0.23 3.66 0.00 -0.49 -1.18 121.76 123.58 3kjk s ALA 63 Ca -0.01 0.38 -0.09 0.00 0.00 0.00 0.00 51.96 52.24 3kjk s ALA 63 Cb -0.02 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 3kjk s ALA 63 CO 0.01 -0.61 0.11 0.08 0.00 0.00 0.00 175.76 175.35 3kjk s VAL 64 N 2.25 4.93 -0.25 0.00 1.01 -0.53 -1.70 120.40 126.11 3kjk s VAL 64 Ca 0.04 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 3kjk s VAL 64 Cb -0.12 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 3kjk s VAL 64 CO -0.05 0.36 0.02 -0.63 0.00 0.00 0.00 175.10 174.79 3kjk s ILE 65 N 1.12 3.72 -0.22 2.22 1.01 0.84 -0.48 121.20 129.42 3kjk s ILE 65 Ca 0.06 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 60.11 3kjk s ILE 65 Cb -0.14 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 3kjk s ILE 65 CO 0.04 0.29 0.10 -0.31 0.00 0.00 0.00 174.94 175.06 3kjk s TYR 66 N 1.50 3.22 -0.12 3.97 2.02 0.69 -1.44 117.35 127.19 3kjk s TYR 66 Ca 0.05 -0.02 -0.01 0.00 -0.37 0.00 0.00 57.07 56.72 3kjk s TYR 66 Cb -0.15 -2.19 -0.02 0.00 -0.40 0.00 0.00 41.96 39.20 3kjk s TYR 66 CO -0.00 -0.03 -0.09 -0.51 -1.57 0.00 0.00 175.55 173.35 3kjk s LEU 67 N 0.96 2.95 0.30 -1.29 1.43 -0.61 -0.64 118.68 121.78 3kjk s LEU 67 Ca 0.05 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 3kjk s LEU 67 Cb -0.14 -1.67 0.59 0.00 0.03 0.00 0.00 46.19 45.01 3kjk s LEU 67 CO 0.03 0.22 1.86 -0.09 0.23 0.00 0.00 176.35 178.61 3kjk h ARG 68 N 6.31 0.93 0.00 1.70 2.43 -1.38 -0.83 114.38 123.53 3kjk h ARG 68 Ca -0.33 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3kjk h ARG 68 Cb 1.19 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3kjk h ARG 68 CO 0.57 0.61 0.00 -3.47 -1.51 0.00 0.00 179.97 176.17 3kjk n ASP 69 N -4.57 0.00 0.00 -3.80 4.64 -1.26 -4.54 116.55 107.02 3kjk n ASP 69 Ca 0.17 -0.55 0.00 0.00 -1.38 0.00 0.00 54.79 53.03 3kjk n ASP 69 Cb 0.33 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.41 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 1.21 0.27 0.00 -1.26 -4.40 105.19 101.01 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 3.52 -0.01 1.61 8.00 -1.26 -4.61 116.55 123.79 3kjk n ASP 72 Ca 0.00 -2.00 -0.09 0.00 0.71 0.00 0.00 54.79 53.41 3kjk n ASP 72 Cb 0.00 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.63 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 3.85 -0.71 -0.54 1.24 3.20 -2.01 -2.97 116.97 119.03 3kjk h TYR 73 Ca 0.00 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 3kjk h TYR 73 Cb 0.88 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.47 3kjk h TYR 73 CO 0.44 -0.34 0.00 0.00 -1.64 0.00 0.00 178.16 176.62 3kjk h ALA 74 N 0.63 0.73 0.00 1.82 0.00 -1.99 -0.63 119.26 119.82 3kjk h ALA 74 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3kjk h ALA 74 Cb 0.48 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3kjk h ALA 74 CO -0.34 0.56 0.00 -1.91 0.00 0.00 0.00 179.25 177.55 3kjk n GLU 75 N -4.27 0.33 0.00 0.00 2.13 -1.12 -1.68 120.64 116.03 3kjk n GLU 75 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 3kjk n GLU 75 Cb 0.33 -1.23 0.00 0.00 0.27 0.00 0.00 31.44 30.81 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 0.51 0.00 -0.34 4.31 3.02 -0.25 -3.48 115.26 119.03 3kjk n ASN 77 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.60 3kjk n ASN 77 Cb 0.11 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.49 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 1.52 0.84 7.41 0.00 -1.60 0.33 103.07 111.57 3kjk h GLY 78 Ca 0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 47.33 46.72 3kjk h GLY 78 CO 0.00 0.18 -0.90 -2.08 0.00 0.00 0.00 176.54 173.74 3kjk h VAL 79 N 0.96 1.44 -0.06 4.60 2.07 -1.86 -3.14 116.25 120.26 3kjk h VAL 79 Ca 0.46 -2.44 0.03 0.00 0.82 0.00 0.00 66.70 65.56 3kjk h VAL 79 Cb 0.40 2.99 -0.03 0.00 -1.52 0.00 0.00 31.29 33.13 3kjk h VAL 79 CO -0.25 0.71 -0.12 -0.25 0.02 0.00 0.00 177.57 177.68 3kjk h TRP 80 N -0.17 -0.31 -0.89 1.57 2.91 -1.79 -2.18 115.95 115.10 3kjk h TRP 80 Ca -0.15 0.01 0.06 0.00 1.13 0.00 0.00 58.89 59.95 3kjk h TRP 80 Cb 1.67 0.15 -0.06 0.00 -0.51 0.00 0.00 29.16 30.40 3kjk h TRP 80 CO 0.17 -0.18 0.56 -0.44 -1.03 0.00 0.00 178.44 177.52 3kjk h ASP 81 N -0.18 0.90 0.82 2.65 5.19 -0.47 -1.25 116.42 124.08 3kjk h ASP 81 Ca 0.06 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.45 3kjk h ASP 81 Cb 0.26 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 3kjk h ASP 81 CO -0.16 0.58 -0.19 0.00 -3.12 0.00 0.00 179.24 176.34 3kjk h ALA 82 N 1.41 1.06 0.13 3.45 0.00 -1.46 -3.32 119.26 120.52 3kjk h ALA 82 Ca 0.38 -0.18 -0.31 0.00 0.00 0.00 0.00 54.91 54.80 3kjk h ALA 82 Cb 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kjk h ALA 82 CO -0.16 0.24 -1.64 2.35 0.00 0.00 0.00 179.25 180.04 3kjk h TRP 83 N 0.00 0.49 -3.53 0.00 7.01 -0.60 -3.48 115.95 115.83 3kjk h TRP 83 Ca -0.00 -0.35 -0.57 0.00 2.11 0.00 0.00 58.89 60.07 3kjk h TRP 83 Cb 0.66 -0.02 0.16 0.00 -2.10 0.00 0.00 29.16 27.86 3kjk h TRP 83 CO 0.00 1.64 0.13 1.33 -2.79 0.00 0.00 178.44 178.75 3kjk n VAL 84 N -3.77 3.55 -2.60 2.65 0.24 -0.76 -4.92 118.33 112.71 3kjk n VAL 84 Ca -0.27 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.10 3kjk n VAL 84 Cb 0.96 -1.16 -0.02 0.00 -1.47 0.00 0.00 33.84 32.16 3kjk n VAL 84 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kjk s ALA 85 N -1.49 3.63 0.14 2.33 0.00 -1.26 -4.97 121.76 120.14 3kjk s ALA 85 Ca 0.74 0.30 -0.34 0.00 0.00 0.00 0.00 51.96 52.66 3kjk s ALA 85 Cb -0.43 -3.55 -0.14 0.00 0.00 0.00 0.00 23.12 19.00 3kjk s ALA 85 CO 0.48 -1.00 1.56 0.00 0.00 0.00 0.00 175.76 176.80 3kjk n ALA 86 N 6.13 1.07 -0.53 0.00 0.00 -1.26 -1.28 120.51 124.63 3kjk n ALA 86 Ca 0.12 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3kjk n ALA 86 Cb 0.46 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 3.34 1.59 2.22 0.00 0.00 -1.26 -4.80 105.19 106.29 3kjk n GLY 87 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 3kjk n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kjk n ARG 88 N -2.00 2.29 -2.51 1.61 1.74 -0.41 -5.09 116.66 112.29 3kjk n ARG 88 Ca 0.00 -3.61 -0.38 0.00 -0.77 0.00 0.00 57.85 53.09 3kjk n ARG 88 Cb 0.00 -1.72 -0.04 0.00 -1.02 0.00 0.00 32.46 29.68 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 -3.72 3.61 0.75 0.55 -4.23 -1.16 -4.61 115.64 106.83 3kjk s THR 89 Ca 0.38 1.40 -0.07 0.00 -1.18 0.00 0.00 61.69 62.22 3kjk s THR 89 Cb 0.37 -3.81 0.10 0.00 1.34 0.00 0.00 72.50 70.50 3kjk s THR 89 CO -0.02 0.17 1.05 -2.16 -0.54 0.00 0.00 174.62 173.12 3kjk s PRO 90 N -2.01 1.81 0.50 3.99 0.04 -1.26 -5.05 135.00 133.02 3kjk s PRO 90 Ca 0.52 -0.51 -0.22 0.00 0.04 0.00 0.00 61.00 60.83 3kjk s PRO 90 Cb -0.27 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 32.05 3kjk s PRO 90 CO 0.34 -1.48 1.26 0.00 0.04 0.00 0.00 177.00 177.16 3kjk s ALA 91 N -3.32 2.89 -0.04 8.56 0.00 -0.37 -4.93 121.76 124.55 3kjk s ALA 91 Ca 0.64 1.13 -0.08 0.00 0.00 0.00 0.00 51.96 53.65 3kjk s ALA 91 Cb -0.08 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.58 3kjk s ALA 91 CO 0.46 -1.02 0.18 0.50 0.00 0.00 0.00 175.76 175.88 3kjk s ARG 92 N -2.82 0.37 -0.02 0.00 3.52 -1.26 -1.40 118.95 117.34 3kjk s ARG 92 Ca 0.68 -0.05 -0.02 0.00 -0.13 0.00 0.00 55.73 56.21 3kjk s ARG 92 Cb -0.34 0.16 0.01 0.00 -1.56 0.00 0.00 34.95 33.22 3kjk s ARG 92 CO 0.41 -0.07 0.06 0.00 -0.81 0.00 0.00 175.30 174.89 3kjk s ALA 93 N -0.62 -0.16 -0.12 6.12 0.00 -0.69 -4.99 121.76 121.30 3kjk s ALA 93 Ca -0.07 0.19 -0.01 0.00 0.00 0.00 0.00 51.96 52.07 3kjk s ALA 93 Cb -0.04 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.00 3kjk s ALA 93 CO 0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 175.76 175.68 3kjk s VAL 95 N 1.72 1.02 -0.33 0.00 -7.23 -0.52 -4.98 120.40 110.08 3kjk s VAL 95 Ca 0.04 -2.03 -0.15 0.00 -1.81 0.00 0.00 61.98 58.03 3kjk s VAL 95 Cb -0.13 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.75 3kjk s VAL 95 CO -0.08 -0.57 0.36 -0.70 -0.31 0.00 0.00 175.10 173.80 3kjk s GLU 96 N -3.82 3.63 -0.12 4.82 2.12 -1.26 -1.58 118.70 122.49 3kjk s GLU 96 Ca 0.21 -0.36 -0.08 0.00 0.36 0.00 0.00 54.97 55.11 3kjk s GLU 96 Cb 0.04 -3.78 0.04 0.00 0.26 0.00 0.00 34.13 30.69 3kjk s GLU 96 CO 0.03 -0.49 0.30 0.00 -0.54 0.00 0.00 175.26 174.57 3kjk s ALA 97 N 2.02 -0.73 0.54 6.30 0.00 -0.32 -4.92 121.76 124.67 3kjk s ALA 97 Ca 0.12 1.04 -0.20 0.00 0.00 0.00 0.00 51.96 52.91 3kjk s ALA 97 Cb -0.16 -0.63 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 3kjk s ALA 97 CO 0.11 -0.19 1.21 1.03 0.00 0.00 0.00 175.76 177.93 3kjk s ARG 98 N 0.84 3.27 0.55 0.00 0.52 -1.26 -3.50 118.95 119.37 3kjk s ARG 98 Ca -0.06 1.85 0.06 0.00 -0.52 0.00 0.00 55.73 57.07 3kjk s ARG 98 Cb -0.07 -2.13 0.05 0.00 0.52 0.00 0.00 34.95 33.33 3kjk s ARG 98 CO -0.06 -0.98 0.47 -0.51 0.02 0.00 0.00 175.30 174.24 3kjk s LEU 99 N -3.65 2.73 0.55 2.53 1.43 -1.26 -4.99 118.68 116.01 3kjk s LEU 99 Ca 0.72 -1.21 0.27 0.00 -1.03 0.00 0.00 54.13 52.88 3kjk s LEU 99 Cb -0.31 -1.22 1.58 0.00 0.03 0.00 0.00 46.19 46.27 3kjk s LEU 99 CO 0.35 -1.16 2.16 0.00 0.23 0.00 0.00 176.35 177.93 3kjk h ALA 100 N 0.65 1.49 -4.32 4.21 0.00 -1.96 -3.40 119.26 115.93 3kjk h ALA 100 Ca -0.35 -0.05 -0.59 0.00 0.00 0.00 0.00 54.91 53.91 3kjk h ALA 100 Cb 1.30 -0.01 -0.29 0.00 0.00 0.00 0.00 17.79 18.80 3kjk h ALA 100 CO 0.55 0.07 -0.85 1.03 0.00 0.00 0.00 179.25 180.05 3kjk s ARG 101 N -4.51 1.57 0.58 0.00 0.52 -1.26 -5.04 118.95 110.82 3kjk s ARG 101 Ca -0.04 -0.78 0.35 0.00 -0.52 0.00 0.00 55.73 54.74 3kjk s ARG 101 Cb 0.15 -1.56 1.79 0.00 0.52 0.00 0.00 34.95 35.84 3kjk s ARG 101 CO 0.58 0.42 2.17 -1.35 0.02 0.00 0.00 175.30 177.14 3kjk h PRO 102 N 5.43 0.00 0.00 3.54 0.11 -2.02 -1.72 132.00 137.34 3kjk h PRO 102 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3kjk h PRO 102 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kjk h PRO 102 CO 0.47 0.04 0.00 -0.85 -0.21 0.00 0.00 178.00 177.45 3kjk n GLU 103 N -3.34 0.24 -2.63 1.05 0.00 -1.26 -4.76 120.64 109.93 3kjk n GLU 103 Ca -0.02 0.21 -0.43 0.00 0.00 0.00 0.00 57.16 56.93 3kjk n GLU 103 Cb 0.19 -1.79 -0.02 0.00 0.00 0.00 0.00 31.44 29.82 3kjk n GLU 103 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3kjk s TRP 104 N -3.11 3.17 -0.59 -1.84 0.51 -0.65 -4.89 118.94 111.55 3kjk s TRP 104 Ca 0.10 1.25 0.22 0.00 -2.12 0.00 0.00 56.10 55.56 3kjk s TRP 104 Cb 0.13 -3.58 -0.16 0.00 -0.81 0.00 0.00 33.47 29.04 3kjk s TRP 104 CO 0.58 -0.75 0.83 0.54 -0.51 0.00 0.00 176.95 177.63 3kjk n ARG 105 N 6.73 0.29 -3.70 4.98 1.74 -1.26 -4.55 116.66 120.88 3kjk n ARG 105 Ca 0.12 -0.06 -0.14 0.00 -0.77 0.00 0.00 57.85 57.00 3kjk n ARG 105 Cb 0.47 -1.54 -0.09 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 -3.22 0.02 -0.08 1.55 0.11 -1.26 -1.76 120.40 115.76 3kjk s VAL 106 Ca 0.02 -0.15 -0.05 0.00 -2.93 0.00 0.00 61.98 58.88 3kjk s VAL 106 Cb 0.15 -0.69 0.04 0.00 -1.53 0.00 0.00 36.38 34.35 3kjk s VAL 106 CO 0.86 -0.08 0.19 -0.70 -3.33 0.00 0.00 175.10 172.04 3kjk s GLU 107 N -0.45 0.16 -0.12 1.54 2.12 0.19 -4.28 118.70 117.86 3kjk s GLU 107 Ca -0.06 0.40 0.03 0.00 0.36 0.00 0.00 54.97 55.70 3kjk s GLU 107 Cb -0.03 -0.09 0.01 0.00 0.26 0.00 0.00 34.13 34.27 3kjk s GLU 107 CO 0.03 -0.13 -0.22 0.42 -0.54 0.00 0.00 175.26 174.82 3kjk s ILE 108 N 0.95 2.01 -0.30 -3.70 1.01 -1.26 -0.22 121.20 119.68 3kjk s ILE 108 Ca -0.07 -0.97 -0.05 0.00 0.00 0.00 0.00 60.65 59.56 3kjk s ILE 108 Cb -0.09 -1.77 0.03 0.00 0.01 0.00 0.00 42.46 40.65 3kjk s ILE 108 CO -0.05 0.54 0.05 -0.75 0.00 0.00 0.00 174.94 174.73 3kjk s LYS 109 N 0.62 2.77 -0.08 2.79 2.20 0.37 -4.52 119.74 123.90 3kjk s LYS 109 Ca -0.12 -1.06 -0.04 0.00 -0.36 0.00 0.00 55.97 54.39 3kjk s LYS 109 Cb -0.17 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 3kjk s LYS 109 CO 0.03 -0.54 0.09 0.42 -0.36 0.00 0.00 175.35 174.98 3kjk s ILE 110 N 1.39 4.98 -0.08 5.43 -1.09 -1.26 -1.46 121.20 129.12 3kjk s ILE 110 Ca -0.01 -0.06 0.05 0.00 -2.23 0.00 0.00 60.65 58.40 3kjk s ILE 110 Cb -0.18 -3.18 -0.01 0.00 -1.58 0.00 0.00 42.46 37.52 3kjk s ILE 110 CO 0.01 0.55 -0.24 -0.89 -1.23 0.00 0.00 174.94 173.14 3kjk s THR 111 N -1.03 2.08 0.26 2.92 2.01 -0.32 -1.81 115.64 119.76 3kjk s THR 111 Ca 0.16 -1.04 0.03 0.00 0.31 0.00 0.00 61.69 61.16 3kjk s THR 111 Cb -0.12 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.61 3kjk s THR 111 CO 0.06 0.57 0.28 0.00 -0.69 0.00 0.00 174.62 174.83 3kjk n ALA 112 N 3.22 0.27 -2.73 7.40 0.00 0.25 -0.92 120.51 128.00 3kjk n ALA 112 Ca -0.18 -1.43 -0.17 0.00 0.00 0.00 0.00 53.44 51.66 3kjk n ALA 112 Cb 0.52 1.16 -0.13 0.00 0.00 0.00 0.00 19.45 21.00 3kjk n ALA 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kjk s VAL 113 N -2.94 0.76 0.37 0.00 0.11 -0.69 0.10 120.40 118.11 3kjk s VAL 113 Ca 0.28 -0.75 -0.28 0.00 -2.93 0.00 0.00 61.98 58.30 3kjk s VAL 113 Cb 0.01 -0.70 -0.10 0.00 -1.53 0.00 0.00 36.38 34.05 3kjk s VAL 113 CO 0.20 -0.03 1.42 -0.54 -3.33 0.00 0.00 175.10 172.81 3kjk s LYS 114 N -0.88 4.13 0.63 1.54 -0.14 0.14 -4.68 119.74 120.49 3kjk s LYS 114 Ca -0.01 2.42 -0.18 0.00 -1.36 0.00 0.00 55.97 56.85 3kjk s LYS 114 Cb -0.06 -2.96 -0.02 0.00 -1.68 0.00 0.00 37.83 33.11 3kjk s LYS 114 CO 0.00 -0.45 1.20 1.03 -0.76 0.00 0.00 175.35 176.37 3kjk s ARG 115 N -2.05 2.79 0.00 1.68 0.52 -1.06 -5.01 118.95 115.82 3kjk s ARG 115 Ca 0.53 1.77 0.32 0.00 -0.52 0.00 0.00 55.73 57.82 3kjk s ARG 115 Cb -0.44 -1.91 1.86 0.00 0.52 0.00 0.00 34.95 34.99 3kjk s ARG 115 CO 0.59 -1.34 2.20 -0.25 0.02 0.00 0.00 175.30 176.52