#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jc5 s ASP 5 N 0.00 6.70 0.24 4.31 1.01 -1.26 -4.90 116.67 122.76 1jc5 s ASP 5 Ca 0.00 2.29 0.18 0.00 0.71 0.00 0.00 52.55 55.73 1jc5 s ASP 5 Cb 0.00 -2.55 0.05 0.00 1.01 0.00 0.00 42.92 41.43 1jc5 s ASP 5 CO 0.00 -0.85 1.24 -0.07 0.21 0.00 0.00 175.17 175.70 1jc5 h LEU 6 N 9.05 0.00 -8.61 1.23 3.38 -2.01 -3.46 115.31 114.89 1jc5 h LEU 6 Ca -0.40 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 56.87 1jc5 h LEU 6 Cb 1.19 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.64 1jc5 h LEU 6 CO 0.93 0.34 -0.88 -0.36 0.09 0.00 0.00 178.44 178.56 1jc5 s PHE 7 N -3.07 2.39 -0.05 1.13 0.08 -1.26 -4.57 117.98 112.64 1jc5 s PHE 7 Ca 0.02 -0.48 -0.24 0.00 0.12 0.00 0.00 56.93 56.35 1jc5 s PHE 7 Cb 0.08 -1.54 -0.24 0.00 -0.57 0.00 0.00 43.02 40.75 1jc5 s PHE 7 CO 0.76 -0.06 1.02 0.82 -0.10 0.00 0.00 175.22 177.65 1jc5 h ILE 8 N 4.62 1.54 -1.57 0.64 2.04 -1.44 -3.50 117.51 119.84 1jc5 h ILE 8 Ca -0.41 -2.02 0.38 0.00 1.00 0.00 0.00 64.86 63.81 1jc5 h ILE 8 Cb 1.14 2.80 -0.11 0.00 -0.74 0.00 0.00 36.82 39.91 1jc5 h ILE 8 CO 0.47 0.56 0.96 0.00 0.00 0.00 0.00 178.15 180.14 1jc5 s ILE 10 N -2.07 4.48 0.04 0.00 1.01 -1.26 -1.34 121.20 122.05 1jc5 s ILE 10 Ca 0.23 1.79 -0.18 0.00 0.00 0.00 0.00 60.65 62.48 1jc5 s ILE 10 Cb 0.04 -4.15 -0.17 0.00 0.01 0.00 0.00 42.46 38.18 1jc5 s ILE 10 CO -0.04 -0.15 1.25 -0.78 0.00 0.00 0.00 174.94 175.21 1jc5 h ASP 11 N 7.81 0.59 -4.59 3.58 3.58 -0.56 -3.37 116.42 123.46 1jc5 h ASP 11 Ca -0.23 -0.62 0.09 0.00 0.42 0.00 0.00 57.03 56.70 1jc5 h ASP 11 Cb 1.08 -0.17 -0.16 0.00 1.72 0.00 0.00 39.33 41.80 1jc5 h ASP 11 CO 0.97 1.10 0.48 -1.38 -2.88 0.00 0.00 179.24 177.54 1jc5 s HIS 12 N -3.78 -0.37 -0.15 0.28 -3.43 -1.13 -1.96 115.29 104.75 1jc5 s HIS 12 Ca -0.13 0.31 -0.03 0.00 -0.80 0.00 0.00 55.06 54.42 1jc5 s HIS 12 Cb 0.06 0.52 -0.02 0.00 -1.43 0.00 0.00 32.58 31.70 1jc5 s HIS 12 CO 0.82 -0.53 -0.07 0.08 -2.00 0.00 0.00 174.74 173.04 1jc5 s VAL 13 N -2.76 3.60 -0.08 -5.38 1.01 -0.19 -0.94 120.40 115.66 1jc5 s VAL 13 Ca 0.03 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 61.38 1jc5 s VAL 13 Cb -0.01 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1jc5 s VAL 13 CO -0.07 0.50 0.46 0.00 0.00 0.00 0.00 175.10 175.99 1jc5 s ALA 14 N 0.40 3.54 -0.27 5.51 0.00 0.22 -0.12 121.76 131.05 1jc5 s ALA 14 Ca -0.06 -0.19 0.03 0.00 0.00 0.00 0.00 51.96 51.74 1jc5 s ALA 14 Cb -0.15 -2.58 0.06 0.00 0.00 0.00 0.00 23.12 20.46 1jc5 s ALA 14 CO 0.04 0.14 -0.09 -0.47 0.00 0.00 0.00 175.76 175.38 1jc5 s TYR 15 N 0.11 3.24 0.02 0.00 5.04 0.17 -0.48 117.35 125.44 1jc5 s TYR 15 Ca 0.25 -2.35 -0.22 0.00 -2.44 0.00 0.00 57.07 52.32 1jc5 s TYR 15 Cb -0.16 -2.00 -0.06 0.00 0.35 0.00 0.00 41.96 40.10 1jc5 s TYR 15 CO 0.11 -0.88 0.64 0.00 -1.34 0.00 0.00 175.55 174.09 1jc5 s ALA 16 N 1.11 3.46 0.23 3.97 0.00 -0.56 -0.46 121.76 129.50 1jc5 s ALA 16 Ca -0.07 0.10 -0.17 0.00 0.00 0.00 0.00 51.96 51.83 1jc5 s ALA 16 Cb -0.20 -2.81 0.02 0.00 0.00 0.00 0.00 23.12 20.13 1jc5 s ALA 16 CO -0.05 0.16 0.55 0.00 0.00 0.00 0.00 175.76 176.41 1jc5 h PRO 18 N 2.18 0.78 -3.62 0.00 0.11 -1.91 -3.35 132.00 126.18 1jc5 h PRO 18 Ca -0.26 -0.24 -0.54 0.00 0.11 0.00 0.00 66.00 65.07 1jc5 h PRO 18 Cb 1.26 -0.08 -0.40 0.00 0.11 0.00 0.00 31.00 31.89 1jc5 h PRO 18 CO 0.34 0.84 -0.77 0.34 -0.21 0.00 0.00 178.00 178.54 1jc5 s ASP 19 N -6.68 3.18 0.15 -2.05 -1.08 -1.26 -4.43 116.67 104.51 1jc5 s ASP 19 Ca -0.09 -0.98 -0.13 0.00 -0.52 0.00 0.00 52.55 50.82 1jc5 s ASP 19 Cb 0.14 -0.69 0.04 0.00 -1.46 0.00 0.00 42.92 40.95 1jc5 s ASP 19 CO 0.82 -0.32 1.67 0.00 0.52 0.00 0.00 175.17 177.86 1jc5 h ALA 20 N 8.19 0.68 -0.57 3.66 0.00 -1.87 -1.67 119.26 127.69 1jc5 h ALA 20 Ca -0.16 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1jc5 h ALA 20 Cb 1.10 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1jc5 h ALA 20 CO 0.37 0.36 0.18 -0.44 0.00 0.00 0.00 179.25 179.71 1jc5 h ASP 21 N 0.72 0.79 -0.48 0.00 3.32 -1.97 0.87 116.42 119.67 1jc5 h ASP 21 Ca 0.17 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 1jc5 h ASP 21 Cb 0.30 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1jc5 h ASP 21 CO -0.00 0.75 -0.04 -0.08 -1.72 0.00 0.00 179.24 178.15 1jc5 h GLU 22 N 0.84 0.88 -0.41 3.56 4.81 -1.93 -1.01 114.58 121.32 1jc5 h GLU 22 Ca 0.19 -0.30 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 1jc5 h GLU 22 Cb 0.24 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1jc5 h GLU 22 CO -0.01 0.94 0.04 0.00 -0.73 0.00 0.00 179.01 179.25 1jc5 h ALA 23 N 0.91 0.54 -0.72 2.92 0.00 -0.91 -2.26 119.26 119.73 1jc5 h ALA 23 Ca 0.13 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1jc5 h ALA 23 Cb 0.57 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1jc5 h ALA 23 CO 0.03 0.28 0.20 1.03 0.00 0.00 0.00 179.25 180.80 1jc5 h SER 24 N 0.53 1.07 -0.67 0.00 0.87 -0.68 -0.90 113.55 113.77 1jc5 h SER 24 Ca 0.12 -0.21 -0.06 0.00 -1.23 0.00 0.00 61.79 60.40 1jc5 h SER 24 Cb 0.42 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 1jc5 h SER 24 CO 0.01 1.01 0.17 0.11 -0.53 0.00 0.00 176.83 177.60 1jc5 h LYS 25 N 1.09 1.08 -0.08 2.24 1.57 -1.10 -2.08 116.57 119.29 1jc5 h LYS 25 Ca 0.23 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1jc5 h LYS 25 Cb 0.33 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1jc5 h LYS 25 CO -0.00 0.95 0.01 -0.92 -0.57 0.00 0.00 179.45 178.92 1jc5 h TYR 26 N 1.03 0.13 -0.60 -1.35 3.20 -1.03 0.20 116.97 118.56 1jc5 h TYR 26 Ca 0.22 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.18 1jc5 h TYR 26 Cb 0.35 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 1jc5 h TYR 26 CO 0.03 0.33 0.40 1.88 -1.64 0.00 0.00 178.16 179.16 1jc5 h TYR 27 N -0.10 0.39 0.00 -3.82 -1.99 -1.03 0.17 116.97 110.59 1jc5 h TYR 27 Ca 0.02 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.76 1jc5 h TYR 27 Cb 0.27 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 38.87 1jc5 h TYR 27 CO 0.01 0.18 -0.00 1.96 -0.00 0.00 0.00 178.16 180.31 1jc5 h GLN 28 N 0.36 -0.01 0.14 4.88 4.20 -1.10 0.25 115.11 123.84 1jc5 h GLN 28 Ca 0.28 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 1jc5 h GLN 28 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1jc5 h GLN 28 CO -0.07 0.20 -0.07 0.93 -0.67 0.00 0.00 178.83 179.15 1jc5 h GLU 29 N -1.00 -0.18 0.05 1.46 5.08 -0.88 -0.70 114.58 118.41 1jc5 h GLU 29 Ca -0.00 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1jc5 h GLU 29 Cb 0.21 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.51 1jc5 h GLU 29 CO 0.00 0.06 -0.27 1.15 -1.00 0.00 0.00 179.01 178.95 1jc5 h THR 30 N -0.40 1.70 0.00 1.13 2.02 -0.86 -3.38 112.91 113.11 1jc5 h THR 30 Ca -0.02 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 64.77 1jc5 h THR 30 Cb 0.32 3.31 0.00 0.00 -1.74 0.00 0.00 68.15 70.04 1jc5 h THR 30 CO 0.03 0.64 -0.92 0.49 0.37 0.00 0.00 175.52 176.13 1jc5 n PHE 31 N -4.45 0.25 -1.83 3.16 3.72 -1.11 -4.97 117.46 112.23 1jc5 n PHE 31 Ca -0.11 0.07 -0.09 0.00 -0.05 0.00 0.00 57.45 57.27 1jc5 n PHE 31 Cb 0.59 -0.42 -0.02 0.00 -0.94 0.00 0.00 39.48 38.70 1jc5 n PHE 31 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jc5 n GLY 32 N 1.39 0.40 3.94 1.37 0.00 -0.27 -4.95 105.19 107.06 1jc5 n GLY 32 Ca 0.03 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 1jc5 n GLY 32 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jc5 s TRP 33 N -2.40 1.43 -0.05 1.61 0.52 0.75 -4.89 118.94 115.90 1jc5 s TRP 33 Ca 0.00 0.24 0.03 0.00 0.02 0.00 0.00 56.10 56.39 1jc5 s TRP 33 Cb 0.00 -4.15 0.01 0.00 -1.15 0.00 0.00 33.47 28.17 1jc5 s TRP 33 CO 0.00 -2.72 -0.12 -1.01 0.02 0.00 0.00 176.95 173.12 1jc5 s HIS 34 N -3.90 1.36 -0.25 -1.98 3.76 0.98 -4.32 115.29 110.95 1jc5 s HIS 34 Ca 0.75 -0.44 -0.24 0.00 -0.15 0.00 0.00 55.06 54.98 1jc5 s HIS 34 Cb -0.03 -0.98 -0.01 0.00 1.11 0.00 0.00 32.58 32.67 1jc5 s HIS 34 CO 0.53 -0.21 0.82 -2.00 -0.85 0.00 0.00 174.74 173.03 1jc5 s GLU 35 N 0.45 4.17 -0.07 1.40 2.12 -1.26 -0.70 118.70 124.80 1jc5 s GLU 35 Ca -0.10 0.90 0.16 0.00 0.36 0.00 0.00 54.97 56.30 1jc5 s GLU 35 Cb -0.13 -3.65 -0.24 0.00 0.26 0.00 0.00 34.13 30.36 1jc5 s GLU 35 CO 0.03 -0.52 0.26 1.28 -0.54 0.00 0.00 175.26 175.77 1jc5 n LEU 36 N 6.00 0.00 -3.56 2.70 4.77 0.03 -5.01 117.00 121.93 1jc5 n LEU 36 Ca 0.05 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.87 1jc5 n LEU 36 Cb 0.48 0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.65 1jc5 n LEU 36 CO 0.47 0.14 0.49 -2.28 -1.33 0.00 0.00 177.39 174.89 1jc5 s HIS 37 N -2.91 -0.64 -0.02 -1.77 5.04 -1.22 -4.99 115.29 108.78 1jc5 s HIS 37 Ca -0.07 1.24 0.01 0.00 -1.54 0.00 0.00 55.06 54.70 1jc5 s HIS 37 Cb 0.09 0.38 0.02 0.00 0.04 0.00 0.00 32.58 33.11 1jc5 s HIS 37 CO 0.70 -0.51 -0.02 0.50 -2.34 0.00 0.00 174.74 173.07 1jc5 s ARG 38 N -0.77 0.41 0.04 2.88 3.52 -1.26 -0.63 118.95 123.14 1jc5 s ARG 38 Ca -0.07 -0.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.51 1jc5 s ARG 38 Cb -0.01 -0.50 -0.03 0.00 -1.56 0.00 0.00 34.95 32.85 1jc5 s ARG 38 CO 0.06 -0.06 -0.04 -1.21 -0.81 0.00 0.00 175.30 173.24 1jc5 s GLU 39 N 0.68 0.46 -0.10 5.12 2.02 0.56 -5.00 118.70 122.45 1jc5 s GLU 39 Ca -0.07 -0.85 -0.02 0.00 0.02 0.00 0.00 54.97 54.05 1jc5 s GLU 39 Cb -0.11 0.05 0.04 0.00 0.10 0.00 0.00 34.13 34.21 1jc5 s GLU 39 CO -0.01 -0.05 0.04 -2.00 0.02 0.00 0.00 175.26 173.27 1jc5 s GLU 40 N -2.30 0.30 -0.46 1.61 2.12 -1.26 -0.49 118.70 118.22 1jc5 s GLU 40 Ca -0.07 0.08 -0.09 0.00 0.36 0.00 0.00 54.97 55.25 1jc5 s GLU 40 Cb -0.04 -1.16 0.12 0.00 0.26 0.00 0.00 34.13 33.31 1jc5 s GLU 40 CO -0.03 -0.43 0.33 1.21 -0.54 0.00 0.00 175.26 175.80 1jc5 s ASN 41 N 2.05 5.66 0.25 -1.70 3.84 -0.73 -4.96 114.94 119.35 1jc5 s ASN 41 Ca 0.04 -1.91 -0.03 0.00 0.21 0.00 0.00 52.86 51.16 1jc5 s ASN 41 Cb -0.14 -1.99 0.40 0.00 -0.55 0.00 0.00 41.25 38.97 1jc5 s ASN 41 CO -0.06 -0.68 1.84 -0.65 -2.79 0.00 0.00 177.10 174.77 1jc5 h PRO 42 N 8.41 0.93 -0.02 0.43 0.11 -1.96 0.68 132.00 140.58 1jc5 h PRO 42 Ca -0.20 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.86 1jc5 h PRO 42 Cb 1.07 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1jc5 h PRO 42 CO 0.84 0.61 -0.13 1.49 -0.21 0.00 0.00 178.00 180.61 1jc5 h GLU 43 N 0.95 -0.14 0.00 1.05 4.81 -1.97 -1.57 114.58 117.71 1jc5 h GLU 43 Ca 0.41 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 1jc5 h GLU 43 Cb 0.29 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1jc5 h GLU 43 CO -0.21 -0.09 0.00 1.96 -0.73 0.00 0.00 179.01 179.93 1jc5 h GLN 44 N -0.15 0.00 -4.88 1.92 4.20 -1.94 -3.47 115.11 110.79 1jc5 h GLN 44 Ca 0.01 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.45 1jc5 h GLN 44 Cb 0.16 0.00 0.13 0.00 0.30 0.00 0.00 27.48 28.08 1jc5 h GLN 44 CO -0.10 0.00 -0.60 0.41 -0.67 0.00 0.00 178.83 177.87 1jc5 n GLY 45 N -0.34 -0.20 2.91 3.46 0.00 0.23 -4.21 105.19 107.05 1jc5 n GLY 45 Ca -0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 1jc5 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jc5 s VAL 46 N -3.28 0.30 -0.16 1.61 1.01 -1.02 -1.87 120.40 116.98 1jc5 s VAL 46 Ca 0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 1jc5 s VAL 46 Cb -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 1jc5 s VAL 46 CO 0.58 0.11 -0.03 0.54 0.00 0.00 0.00 175.10 176.29 1jc5 s VAL 47 N 0.18 3.89 -0.03 2.92 0.11 -0.23 -1.77 120.40 125.47 1jc5 s VAL 47 Ca -0.02 -0.35 0.05 0.00 -2.93 0.00 0.00 61.98 58.73 1jc5 s VAL 47 Cb -0.05 -2.71 -0.01 0.00 -1.53 0.00 0.00 36.38 32.08 1jc5 s VAL 47 CO -0.00 0.48 -0.18 -0.70 -3.33 0.00 0.00 175.10 171.37 1jc5 s GLU 48 N 0.46 1.69 -0.03 1.54 2.12 0.36 -1.56 118.70 123.28 1jc5 s GLU 48 Ca -0.03 -0.64 0.02 0.00 0.36 0.00 0.00 54.97 54.68 1jc5 s GLU 48 Cb -0.14 -1.53 0.01 0.00 0.26 0.00 0.00 34.13 32.73 1jc5 s GLU 48 CO 0.03 0.31 -0.08 0.42 -0.54 0.00 0.00 175.26 175.39 1jc5 s ILE 49 N -0.15 0.73 -0.27 -3.70 1.01 -0.37 -0.32 121.20 118.12 1jc5 s ILE 49 Ca 0.01 -0.31 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 1jc5 s ILE 49 Cb -0.10 -0.67 -0.05 0.00 0.01 0.00 0.00 42.46 41.65 1jc5 s ILE 49 CO 0.01 0.24 0.19 -0.04 0.00 0.00 0.00 174.94 175.34 1jc5 s MET 50 N 0.36 3.99 0.05 2.79 -1.94 0.20 0.13 119.30 124.88 1jc5 s MET 50 Ca -0.06 -0.28 0.05 0.00 -1.71 0.00 0.00 55.69 53.69 1jc5 s MET 50 Cb -0.10 -3.63 -0.04 0.00 2.01 0.00 0.00 34.83 33.08 1jc5 s MET 50 CO 0.01 -0.12 -0.08 -1.64 -0.01 0.00 0.00 175.02 173.17 1jc5 s MET 51 N 1.59 2.36 0.07 2.03 1.00 -0.12 -0.79 119.30 125.43 1jc5 s MET 51 Ca 0.08 -0.87 0.02 0.00 0.00 0.00 0.00 55.69 54.92 1jc5 s MET 51 Cb -0.15 -2.41 -0.03 0.00 0.00 0.00 0.00 34.83 32.24 1jc5 s MET 51 CO 0.09 0.56 -0.08 0.00 0.00 0.00 0.00 175.02 175.59 1jc5 s ALA 52 N -1.11 0.80 -0.04 3.03 0.00 0.12 -1.41 121.76 123.16 1jc5 s ALA 52 Ca 0.19 -1.00 0.31 0.00 0.00 0.00 0.00 51.96 51.46 1jc5 s ALA 52 Cb -0.11 0.07 1.13 0.00 0.00 0.00 0.00 23.12 24.20 1jc5 s ALA 52 CO 0.11 -0.07 1.89 -1.00 0.00 0.00 0.00 175.76 176.69 1jc5 h PRO 53 N 3.92 0.00 -5.61 0.00 0.13 -1.87 0.28 132.00 128.85 1jc5 h PRO 53 Ca -0.36 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.28 1jc5 h PRO 53 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 1jc5 h PRO 53 CO 0.49 0.00 -0.71 0.00 -0.23 0.00 0.00 178.00 177.55 1jc5 s ALA 54 N -3.55 2.24 0.17 -0.56 0.00 -1.26 -4.72 121.76 114.07 1jc5 s ALA 54 Ca 0.03 -1.79 0.14 0.00 0.00 0.00 0.00 51.96 50.33 1jc5 s ALA 54 Cb 0.08 0.01 0.37 0.00 0.00 0.00 0.00 23.12 23.59 1jc5 s ALA 54 CO 0.57 0.03 1.60 0.00 0.00 0.00 0.00 175.76 177.95 1jc5 h ALA 55 N 2.41 0.87 -3.25 0.00 0.00 -1.95 -3.43 119.26 113.91 1jc5 h ALA 55 Ca -0.39 -0.52 -0.66 0.00 0.00 0.00 0.00 54.91 53.34 1jc5 h ALA 55 Cb 1.23 -0.09 -0.29 0.00 0.00 0.00 0.00 17.79 18.64 1jc5 h ALA 55 CO 0.64 0.71 -0.79 0.15 0.00 0.00 0.00 179.25 179.95 1jc5 s LYS 56 N -3.42 3.27 0.27 0.00 1.02 -1.26 -5.03 119.74 114.58 1jc5 s LYS 56 Ca 0.00 -0.74 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 1jc5 s LYS 56 Cb 0.11 -2.60 -0.09 0.00 -0.52 0.00 0.00 37.83 34.72 1jc5 s LYS 56 CO 0.74 0.10 1.08 -0.51 -0.92 0.00 0.00 175.35 175.84 1jc5 s LEU 57 N 0.61 4.56 0.22 3.17 1.43 -1.26 -5.04 118.68 122.37 1jc5 s LEU 57 Ca -0.09 2.22 0.01 0.00 -1.03 0.00 0.00 54.13 55.24 1jc5 s LEU 57 Cb -0.16 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 1jc5 s LEU 57 CO 0.03 -0.11 0.39 0.42 0.23 0.00 0.00 176.35 177.31 1jc5 s THR 58 N -1.09 5.23 0.08 5.49 -4.23 -1.26 -4.97 115.64 114.88 1jc5 s THR 58 Ca 0.44 -0.57 -0.10 0.00 -1.18 0.00 0.00 61.69 60.28 1jc5 s THR 58 Cb -0.31 -3.78 0.04 0.00 1.34 0.00 0.00 72.50 69.79 1jc5 s THR 58 CO 0.39 -0.25 0.66 1.21 -0.54 0.00 0.00 174.62 176.10 1jc5 n GLU 59 N -0.96 -0.14 -0.82 3.99 0.00 -1.26 -0.74 120.64 120.72 1jc5 n GLU 59 Ca -0.06 0.65 -0.05 0.00 0.00 0.00 0.00 57.16 57.70 1jc5 n GLU 59 Cb 0.55 -0.96 0.21 0.00 0.00 0.00 0.00 31.44 31.24 1jc5 n GLU 59 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1jc5 n HIS 60 N -4.58 1.41 -2.46 4.31 8.25 -1.26 -5.01 115.22 115.88 1jc5 n HIS 60 Ca 0.03 -1.50 -0.43 0.00 -0.26 0.00 0.00 57.72 55.56 1jc5 n HIS 60 Cb 0.14 -0.54 -0.02 0.00 1.12 0.00 0.00 29.99 30.69 1jc5 n HIS 60 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1jc5 s MET 61 N -3.17 4.26 0.16 -0.41 0.00 0.09 -4.83 119.30 115.39 1jc5 s MET 61 Ca 0.46 1.62 -0.30 0.00 0.00 0.00 0.00 55.69 57.48 1jc5 s MET 61 Cb 0.41 -3.71 -0.07 0.00 0.00 0.00 0.00 34.83 31.45 1jc5 s MET 61 CO 0.03 -0.65 0.94 0.99 0.00 0.00 0.00 175.02 176.33 1jc5 s THR 62 N 3.24 4.33 0.36 10.11 2.01 -1.26 -4.84 115.64 129.59 1jc5 s THR 62 Ca 0.53 2.05 0.08 0.00 0.31 0.00 0.00 61.69 64.66 1jc5 s THR 62 Cb -0.21 -4.31 -0.03 0.00 0.01 0.00 0.00 72.50 67.96 1jc5 s THR 62 CO 0.15 0.40 0.29 -1.10 -0.69 0.00 0.00 174.62 173.66 1jc5 s GLN 63 N -0.51 2.60 -0.21 4.92 -0.21 -0.83 -4.74 119.66 120.68 1jc5 s GLN 63 Ca 0.44 -1.42 -0.04 0.00 0.02 0.00 0.00 55.36 54.36 1jc5 s GLN 63 Cb -0.24 -2.38 -0.02 0.00 1.00 0.00 0.00 33.01 31.37 1jc5 s GLN 63 CO 0.30 0.01 -0.02 0.08 -2.12 0.00 0.00 175.29 173.54 1jc5 s VAL 64 N -2.38 3.64 -0.33 1.09 1.01 -0.50 -1.02 120.40 121.91 1jc5 s VAL 64 Ca 0.42 -0.41 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 1jc5 s VAL 64 Cb -0.04 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1jc5 s VAL 64 CO 0.26 0.42 0.32 -1.58 0.00 0.00 0.00 175.10 174.53 1jc5 s GLN 65 N 1.24 3.62 -0.27 2.72 0.74 0.83 -0.95 119.66 127.60 1jc5 s GLN 65 Ca 0.03 -0.41 -0.22 0.00 0.05 0.00 0.00 55.36 54.81 1jc5 s GLN 65 Cb -0.14 -3.78 -0.01 0.00 1.10 0.00 0.00 33.01 30.18 1jc5 s GLN 65 CO -0.00 -0.46 0.73 0.08 -0.55 0.00 0.00 175.29 175.09 1jc5 s VAL 66 N 1.94 4.89 -0.08 1.34 1.01 0.12 0.46 120.40 130.08 1jc5 s VAL 66 Ca 0.10 1.23 0.02 0.00 0.00 0.00 0.00 61.98 63.34 1jc5 s VAL 66 Cb -0.17 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 1jc5 s VAL 66 CO 0.11 -0.10 -0.14 -0.04 0.00 0.00 0.00 175.10 174.93 1jc5 s MET 67 N 2.73 2.85 0.03 2.72 1.00 0.39 -1.24 119.30 127.78 1jc5 s MET 67 Ca 0.30 -0.70 -0.05 0.00 0.00 0.00 0.00 55.69 55.24 1jc5 s MET 67 Cb -0.15 -2.47 -0.01 0.00 0.00 0.00 0.00 34.83 32.20 1jc5 s MET 67 CO 0.10 0.45 0.08 0.00 0.00 0.00 0.00 175.02 175.65 1jc5 s ALA 68 N -0.29 -0.05 0.58 3.03 0.00 -0.60 -0.55 121.76 123.88 1jc5 s ALA 68 Ca 0.02 -0.55 -0.11 0.00 0.00 0.00 0.00 51.96 51.32 1jc5 s ALA 68 Cb -0.13 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 1jc5 s ALA 68 CO 0.03 -0.30 0.99 -2.14 0.00 0.00 0.00 175.76 174.33 1jc5 s PRO 69 N -2.48 3.66 0.00 0.00 0.02 -1.26 -1.07 135.00 133.88 1jc5 s PRO 69 Ca -0.06 0.72 0.01 0.00 0.02 0.00 0.00 61.00 61.69 1jc5 s PRO 69 Cb -0.02 -2.13 -0.01 0.00 0.02 0.00 0.00 34.50 32.36 1jc5 s PRO 69 CO -0.04 -0.46 0.22 1.28 -0.33 0.00 0.00 177.00 177.67 1jc5 n LEU 70 N -2.43 0.41 -3.61 -5.54 4.77 -0.78 -4.74 117.00 105.08 1jc5 n LEU 70 Ca 0.05 -0.67 -0.05 0.00 -0.03 0.00 0.00 56.01 55.32 1jc5 n LEU 70 Cb 0.54 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 1jc5 n LEU 70 CO 0.55 0.10 1.01 0.54 -1.33 0.00 0.00 177.39 178.26 1jc5 s ASN 71 N -0.79 -0.16 0.57 -1.43 2.20 -1.26 -5.02 114.94 109.05 1jc5 s ASN 71 Ca 0.01 0.13 0.23 0.00 -0.94 0.00 0.00 52.86 52.29 1jc5 s ASN 71 Cb 0.01 0.14 1.26 0.00 -2.00 0.00 0.00 41.25 40.66 1jc5 s ASN 71 CO 0.04 -0.18 1.68 0.44 -2.94 0.00 0.00 177.10 176.15 1jc5 h ASP 72 N 2.18 0.00 0.72 3.54 5.19 -1.96 -1.85 116.42 124.23 1jc5 h ASP 72 Ca -0.11 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.05 1jc5 h ASP 72 Cb 1.17 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.68 1jc5 h ASP 72 CO 0.25 0.00 -1.11 -0.33 -3.12 0.00 0.00 179.24 174.93 1jc5 h GLU 73 N 0.00 0.19 -6.60 3.56 4.39 -1.96 -3.40 114.58 110.76 1jc5 h GLU 73 Ca 0.00 -0.30 -0.51 0.00 0.34 0.00 0.00 59.36 58.89 1jc5 h GLU 73 Cb 0.73 0.11 0.23 0.00 -0.10 0.00 0.00 28.75 29.72 1jc5 h GLU 73 CO 0.00 1.11 -1.02 -1.13 -1.16 0.00 0.00 179.01 176.81 1jc5 n SER 74 N -3.51 -2.77 0.10 1.42 3.41 -0.70 -4.81 113.62 106.77 1jc5 n SER 74 Ca -0.05 0.16 -0.05 0.00 -0.26 0.00 0.00 58.87 58.68 1jc5 n SER 74 Cb 0.96 -1.03 0.07 0.00 -0.26 0.00 0.00 64.21 63.95 1jc5 n SER 74 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1jc5 h THR 75 N -1.59 1.49 -0.35 6.66 2.02 -1.87 -2.95 112.91 116.31 1jc5 h THR 75 Ca -0.46 -2.41 -0.05 0.00 0.77 0.00 0.00 66.41 64.26 1jc5 h THR 75 Cb 1.31 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 70.01 1jc5 h THR 75 CO 0.33 0.70 0.04 0.58 0.37 0.00 0.00 175.52 177.53 1jc5 h VAL 76 N 0.06 1.25 0.06 3.16 2.07 -1.89 -1.11 116.25 119.85 1jc5 h VAL 76 Ca -0.02 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.64 1jc5 h VAL 76 Cb 1.30 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 1jc5 h VAL 76 CO 0.10 0.30 -0.21 0.00 0.02 0.00 0.00 177.57 177.77 1jc5 h ALA 77 N 0.89 -0.32 -0.64 1.67 0.00 -1.82 0.35 119.26 119.39 1jc5 h ALA 77 Ca 0.10 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1jc5 h ALA 77 Cb 0.39 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1jc5 h ALA 77 CO 0.01 -0.73 0.42 0.87 0.00 0.00 0.00 179.25 179.83 1jc5 h LYS 78 N -0.37 0.79 -0.24 0.00 1.57 -1.45 0.98 116.57 117.84 1jc5 h LYS 78 Ca 0.04 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1jc5 h LYS 78 Cb 0.42 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1jc5 h LYS 78 CO -0.16 0.52 0.03 2.35 -0.57 0.00 0.00 179.45 181.62 1jc5 h TRP 79 N 0.81 0.44 -0.13 -1.35 7.01 -0.15 -0.57 115.95 122.01 1jc5 h TRP 79 Ca 0.25 -0.07 -0.00 0.00 2.11 0.00 0.00 58.89 61.18 1jc5 h TRP 79 Cb -0.01 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 1jc5 h TRP 79 CO -0.00 0.55 0.06 -0.07 -2.79 0.00 0.00 178.44 176.18 1jc5 h LEU 80 N 0.21 0.16 -1.48 0.65 3.38 0.47 -2.45 115.31 116.25 1jc5 h LEU 80 Ca 0.07 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1jc5 h LEU 80 Cb 0.35 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1jc5 h LEU 80 CO 0.01 0.25 0.39 0.00 0.09 0.00 0.00 178.44 179.17 1jc5 h ALA 81 N 0.92 1.72 0.00 1.53 0.00 -0.78 0.27 119.26 122.92 1jc5 h ALA 81 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1jc5 h ALA 81 Cb 0.13 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1jc5 h ALA 81 CO -0.01 0.21 -0.11 0.87 0.00 0.00 0.00 179.25 180.22 1jc5 h LYS 82 N 0.67 0.00 -0.69 0.00 1.79 -0.63 -1.75 116.57 115.96 1jc5 h LYS 82 Ca 0.24 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.38 1jc5 h LYS 82 Cb 0.12 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 30.57 1jc5 h LYS 82 CO -0.07 0.11 0.30 0.72 -1.08 0.00 0.00 179.45 179.43 1jc5 n HIS 83 N -3.99 2.14 -2.84 -1.35 8.25 -0.21 -4.92 115.22 112.30 1jc5 n HIS 83 Ca -0.02 -1.64 -0.21 0.00 -0.26 0.00 0.00 57.72 55.59 1jc5 n HIS 83 Cb 0.19 -0.72 0.02 0.00 1.12 0.00 0.00 29.99 30.61 1jc5 n HIS 83 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jc5 n ASN 84 N -1.00 -5.86 -0.73 0.41 3.02 -0.66 -2.10 115.26 108.34 1jc5 n ASN 84 Ca 0.46 -0.22 -0.10 0.00 -0.03 0.00 0.00 54.58 54.70 1jc5 n ASN 84 Cb 1.36 -4.73 -0.04 0.00 -0.61 0.00 0.00 39.78 35.76 1jc5 n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jc5 n GLY 85 N -1.38 1.10 3.62 7.41 0.00 0.77 -4.98 105.19 111.73 1jc5 n GLY 85 Ca -0.14 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 1jc5 n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jc5 s ARG 86 N -2.73 4.06 0.72 1.61 3.52 -0.89 -4.92 118.95 120.32 1jc5 s ARG 86 Ca 0.00 0.23 -0.13 0.00 -0.13 0.00 0.00 55.73 55.69 1jc5 s ARG 86 Cb 0.00 -3.64 0.03 0.00 -1.56 0.00 0.00 34.95 29.78 1jc5 s ARG 86 CO 0.00 -0.30 1.12 0.00 -0.81 0.00 0.00 175.30 175.31 1jc5 s ALA 87 N 2.16 2.28 0.00 6.12 0.00 -1.26 -4.86 121.76 126.20 1jc5 s ALA 87 Ca 0.19 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1jc5 s ALA 87 Cb -0.16 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1jc5 s ALA 87 CO 0.09 -1.61 0.00 0.41 0.00 0.00 0.00 175.76 174.65 1jc5 n GLY 88 N -0.51 -0.61 3.70 0.00 0.00 -0.13 -5.01 105.19 102.63 1jc5 n GLY 88 Ca 0.11 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 1jc5 n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jc5 n LEU 89 N 0.00 3.92 -0.08 0.99 4.77 -1.26 -1.50 117.00 123.83 1jc5 n LEU 89 Ca 0.00 1.03 -0.08 0.00 -0.03 0.00 0.00 56.01 56.92 1jc5 n LEU 89 Cb 0.00 -1.54 -0.03 0.00 -2.33 0.00 0.00 43.42 39.52 1jc5 n LEU 89 CO 0.00 0.13 -0.63 1.57 -1.33 0.00 0.00 177.39 177.12 1jc5 n HIS 90 N 4.78 0.00 -3.90 -1.77 -0.00 0.37 -4.86 115.22 109.84 1jc5 n HIS 90 Ca 0.17 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.81 1jc5 n HIS 90 Cb 0.35 -0.47 -0.03 0.00 -0.00 0.00 0.00 29.99 29.85 1jc5 n HIS 90 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1jc5 s HIS 91 N -2.79 0.01 -0.01 1.57 -3.43 -1.23 -4.69 115.29 104.71 1jc5 s HIS 91 Ca -0.27 -0.45 0.02 0.00 -0.80 0.00 0.00 55.06 53.55 1jc5 s HIS 91 Cb 0.04 0.56 -0.03 0.00 -1.43 0.00 0.00 32.58 31.72 1jc5 s HIS 91 CO 0.40 -1.20 -0.02 -1.64 -2.00 0.00 0.00 174.74 170.29 1jc5 s MET 92 N -3.81 2.74 -0.12 -0.38 -1.94 -1.08 -0.61 119.30 114.10 1jc5 s MET 92 Ca 0.15 -0.62 0.02 0.00 -1.71 0.00 0.00 55.69 53.53 1jc5 s MET 92 Cb -0.04 -2.63 0.01 0.00 2.01 0.00 0.00 34.83 34.17 1jc5 s MET 92 CO 0.08 0.63 -0.20 0.00 -0.01 0.00 0.00 175.02 175.52 1jc5 s ALA 93 N -1.04 2.04 -0.21 3.03 0.00 -0.12 -0.36 121.76 125.11 1jc5 s ALA 93 Ca 0.18 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 51.13 1jc5 s ALA 93 Cb -0.11 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 1jc5 s ALA 93 CO 0.09 0.01 0.03 -1.58 0.00 0.00 0.00 175.76 174.31 1jc5 s TRP 94 N 0.79 3.09 0.10 0.00 0.51 0.21 0.20 118.94 123.83 1jc5 s TRP 94 Ca -0.09 -0.34 -0.30 0.00 -2.12 0.00 0.00 56.10 53.25 1jc5 s TRP 94 Cb -0.16 -2.12 -0.06 0.00 -0.81 0.00 0.00 33.47 30.33 1jc5 s TRP 94 CO 0.00 -0.19 1.00 0.50 -0.51 0.00 0.00 176.95 177.75 1jc5 s ARG 95 N 1.03 4.64 0.20 4.98 3.52 -0.45 -1.30 118.95 131.56 1jc5 s ARG 95 Ca 0.03 1.51 0.10 0.00 -0.13 0.00 0.00 55.73 57.23 1jc5 s ARG 95 Cb -0.14 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 1jc5 s ARG 95 CO 0.02 0.11 -0.19 0.14 -0.81 0.00 0.00 175.30 174.57 1jc5 s VAL 96 N 0.22 2.02 -0.06 7.11 -7.23 -0.38 -1.07 120.40 121.00 1jc5 s VAL 96 Ca 0.49 -2.07 -0.22 0.00 -1.81 0.00 0.00 61.98 58.37 1jc5 s VAL 96 Cb -0.24 -2.01 -0.30 0.00 0.56 0.00 0.00 36.38 34.38 1jc5 s VAL 96 CO 0.30 -0.34 0.84 -0.78 -0.31 0.00 0.00 175.10 174.81 1jc5 h ASP 97 N 2.95 0.41 -3.38 4.85 1.82 -1.89 -3.39 116.42 117.80 1jc5 h ASP 97 Ca -0.42 -0.94 -0.61 0.00 -0.39 0.00 0.00 57.03 54.67 1jc5 h ASP 97 Cb 1.22 -0.13 -0.40 0.00 0.68 0.00 0.00 39.33 40.69 1jc5 h ASP 97 CO 0.54 1.38 -0.74 -0.62 -1.61 0.00 0.00 179.24 178.19 1jc5 s ASP 98 N -6.91 4.01 0.37 2.28 -1.08 -1.26 -4.86 116.67 109.22 1jc5 s ASP 98 Ca -0.15 -2.09 0.05 0.00 -0.52 0.00 0.00 52.55 49.83 1jc5 s ASP 98 Cb 0.01 -1.05 0.74 0.00 -1.46 0.00 0.00 42.92 41.15 1jc5 s ASP 98 CO 0.81 -0.35 2.01 -0.29 0.52 0.00 0.00 175.17 177.86 1jc5 h ILE 99 N 6.04 1.10 0.42 4.11 2.10 -1.94 -0.42 117.51 128.93 1jc5 h ILE 99 Ca -0.08 -0.25 -0.02 0.00 1.08 0.00 0.00 64.86 65.59 1jc5 h ILE 99 Cb 0.98 0.30 0.00 0.00 -1.09 0.00 0.00 36.82 37.01 1jc5 h ILE 99 CO 0.49 0.13 -0.20 0.44 -1.08 0.00 0.00 178.15 177.93 1jc5 h ASP 100 N 0.74 -0.48 -0.16 2.19 3.32 -1.99 0.47 116.42 120.51 1jc5 h ASP 100 Ca 0.24 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1jc5 h ASP 100 Cb 0.03 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1jc5 h ASP 100 CO -0.06 -0.30 0.10 0.00 -1.72 0.00 0.00 179.24 177.25 1jc5 h ALA 101 N -0.06 0.20 -0.89 3.45 0.00 -1.88 -1.11 119.26 118.97 1jc5 h ALA 101 Ca -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1jc5 h ALA 101 Cb 0.47 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1jc5 h ALA 101 CO 0.10 -0.33 0.49 0.28 0.00 0.00 0.00 179.25 179.79 1jc5 h VAL 102 N 0.20 1.25 -0.62 0.00 2.07 -1.07 -1.25 116.25 116.84 1jc5 h VAL 102 Ca 0.06 -0.62 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 1jc5 h VAL 102 Cb -0.01 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.77 1jc5 h VAL 102 CO -0.02 0.28 0.15 0.28 0.02 0.00 0.00 177.57 178.28 1jc5 h SER 103 N 1.24 0.92 0.62 0.57 0.02 -0.58 -1.64 113.55 114.71 1jc5 h SER 103 Ca 0.31 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1jc5 h SER 103 Cb 0.01 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.32 1jc5 h SER 103 CO -0.05 0.89 -0.30 0.00 -1.14 0.00 0.00 176.83 176.23 1jc5 h ALA 104 N 1.22 -0.84 -0.49 3.77 0.00 -0.33 -1.89 119.26 120.71 1jc5 h ALA 104 Ca 0.20 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1jc5 h ALA 104 Cb 0.34 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 1jc5 h ALA 104 CO 0.00 -0.96 -0.13 1.15 0.00 0.00 0.00 179.25 179.31 1jc5 h THR 105 N -0.86 0.49 -0.83 0.00 2.02 -1.09 -1.52 112.91 111.13 1jc5 h THR 105 Ca -0.09 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1jc5 h THR 105 Cb 0.65 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 1jc5 h THR 105 CO 0.14 0.00 0.45 -0.07 0.37 0.00 0.00 175.52 176.41 1jc5 h LEU 106 N -0.01 1.03 -1.45 2.58 3.38 -1.24 -1.70 115.31 117.90 1jc5 h LEU 106 Ca 0.24 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1jc5 h LEU 106 Cb 0.37 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1jc5 h LEU 106 CO -0.51 0.83 0.03 0.03 0.09 0.00 0.00 178.44 178.91 1jc5 h ARG 107 N 1.16 0.39 -0.17 1.13 3.08 -0.45 0.25 114.38 119.77 1jc5 h ARG 107 Ca 0.29 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.23 1jc5 h ARG 107 Cb 0.03 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 1jc5 h ARG 107 CO -0.05 0.39 -0.10 0.93 -1.07 0.00 0.00 179.97 180.08 1jc5 h GLU 108 N 0.38 0.36 0.00 0.04 5.08 -0.65 -2.63 114.58 117.16 1jc5 h GLU 108 Ca 0.09 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1jc5 h GLU 108 Cb 0.21 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1jc5 h GLU 108 CO 0.00 0.69 0.00 0.54 -1.00 0.00 0.00 179.01 179.24 1jc5 n ARG 109 N -4.59 0.01 0.00 2.33 5.12 -0.71 -4.77 116.66 114.04 1jc5 n ARG 109 Ca -0.06 0.39 0.00 0.00 -1.93 0.00 0.00 57.85 56.26 1jc5 n ARG 109 Cb 0.32 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.12 1jc5 n ARG 109 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jc5 n GLY 110 N -1.17 1.02 3.80 -0.13 0.00 -0.81 -5.08 105.19 102.82 1jc5 n GLY 110 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1jc5 n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jc5 s VAL 111 N -2.00 4.48 -0.16 1.61 1.01 0.81 -4.98 120.40 121.16 1jc5 s VAL 111 Ca 0.00 1.47 -0.01 0.00 0.00 0.00 0.00 61.98 63.43 1jc5 s VAL 111 Cb 0.00 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 1jc5 s VAL 111 CO 0.00 0.33 -0.10 -1.10 0.00 0.00 0.00 175.10 174.23 1jc5 s GLN 112 N -1.65 3.39 0.24 2.72 -0.21 -1.26 -4.05 119.66 118.85 1jc5 s GLN 112 Ca 0.40 -0.66 0.03 0.00 0.02 0.00 0.00 55.36 55.15 1jc5 s GLN 112 Cb -0.19 -2.76 -0.03 0.00 1.00 0.00 0.00 33.01 31.02 1jc5 s GLN 112 CO 0.23 0.08 0.39 -0.51 -2.12 0.00 0.00 175.29 173.36 1jc5 s LEU 113 N 0.71 4.25 -0.00 2.90 1.43 -1.26 -1.29 118.68 125.41 1jc5 s LEU 113 Ca -0.05 0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 53.10 1jc5 s LEU 113 Cb -0.15 -3.00 -0.09 0.00 0.03 0.00 0.00 46.19 42.98 1jc5 s LEU 113 CO 0.02 -0.09 0.84 0.25 0.23 0.00 0.00 176.35 177.60 1jc5 h LEU 114 N 1.36 -0.49 -9.89 1.79 6.46 -1.18 -3.45 115.31 109.90 1jc5 h LEU 114 Ca -0.50 0.02 -0.55 0.00 -0.12 0.00 0.00 57.88 56.73 1jc5 h LEU 114 Cb 1.22 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 41.24 1jc5 h LEU 114 CO 0.63 -0.21 -0.07 -0.31 -0.62 0.00 0.00 178.44 177.86 1jc5 s TYR 115 N -3.63 3.54 0.22 1.25 2.02 -1.26 -4.98 117.35 114.51 1jc5 s TYR 115 Ca -0.08 1.04 -0.03 0.00 -0.37 0.00 0.00 57.07 57.63 1jc5 s TYR 115 Cb 0.01 -2.37 0.20 0.00 -0.40 0.00 0.00 41.96 39.40 1jc5 s TYR 115 CO 0.25 0.36 1.61 -0.44 -1.57 0.00 0.00 175.55 175.76 1jc5 h ASP 116 N 3.19 0.71 -3.68 2.29 3.32 -2.01 -3.45 116.42 116.80 1jc5 h ASP 116 Ca -0.48 -0.28 -0.44 0.00 0.02 0.00 0.00 57.03 55.85 1jc5 h ASP 116 Cb 1.19 -0.20 -0.17 0.00 0.22 0.00 0.00 39.33 40.37 1jc5 h ASP 116 CO 0.67 0.96 -0.75 -1.61 -1.72 0.00 0.00 179.24 176.79 1jc5 s GLU 117 N -4.45 1.17 0.29 3.56 0.41 -1.26 -5.11 118.70 113.31 1jc5 s GLU 117 Ca -0.09 -1.40 -0.30 0.00 -0.41 0.00 0.00 54.97 52.77 1jc5 s GLU 117 Cb 0.13 -1.03 -0.11 0.00 -1.78 0.00 0.00 34.13 31.33 1jc5 s GLU 117 CO 0.83 0.19 1.61 -2.14 -0.49 0.00 0.00 175.26 175.26 1jc5 s PRO 118 N -3.11 4.11 0.18 0.39 0.02 -1.26 -4.97 135.00 130.37 1jc5 s PRO 118 Ca 0.15 2.60 0.05 0.00 0.02 0.00 0.00 61.00 63.83 1jc5 s PRO 118 Cb -0.03 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.43 1jc5 s PRO 118 CO 0.05 -0.66 0.15 0.15 -0.33 0.00 0.00 177.00 176.36 1jc5 s LYS 119 N -0.38 2.92 0.27 5.54 1.02 -0.27 -4.85 119.74 124.00 1jc5 s LYS 119 Ca 0.64 -0.90 -0.30 0.00 0.02 0.00 0.00 55.97 55.44 1jc5 s LYS 119 Cb -0.48 -2.64 -0.10 0.00 -0.52 0.00 0.00 37.83 34.08 1jc5 s LYS 119 CO 0.47 0.47 1.45 -1.17 -0.92 0.00 0.00 175.35 175.65 1jc5 s LEU 120 N -3.26 4.38 0.00 3.17 0.20 -1.26 -0.82 118.68 121.09 1jc5 s LEU 120 Ca 0.31 2.73 0.00 0.00 0.69 0.00 0.00 54.13 57.87 1jc5 s LEU 120 Cb -0.10 -3.63 0.00 0.00 -0.43 0.00 0.00 46.19 42.03 1jc5 s LEU 120 CO 0.24 -0.72 0.00 0.61 -0.29 0.00 0.00 176.35 176.18 1jc5 n GLY 121 N 1.93 6.34 3.81 7.98 0.00 0.17 -4.81 105.19 120.61 1jc5 n GLY 121 Ca 0.06 -2.10 -0.34 0.00 0.00 0.00 0.00 46.02 43.64 1jc5 n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jc5 s THR 122 N 0.19 4.26 0.00 2.61 -4.23 -1.26 -3.64 115.64 113.57 1jc5 s THR 122 Ca 0.00 1.49 0.00 0.00 -1.18 0.00 0.00 61.69 62.00 1jc5 s THR 122 Cb 0.00 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.19 1jc5 s THR 122 CO 0.00 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 1jc5 n GLY 123 N -0.35 0.20 0.11 3.99 0.00 -1.26 -2.45 105.19 105.44 1jc5 n GLY 123 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1jc5 n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jc5 n GLY 124 N -0.74 0.50 3.77 -0.02 0.00 -1.24 -4.80 105.19 102.65 1jc5 n GLY 124 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1jc5 n GLY 124 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jc5 s ASN 125 N -2.95 6.26 -0.24 1.61 0.01 -1.02 -3.75 114.94 114.86 1jc5 s ASN 125 Ca 0.00 2.52 -0.14 0.00 -0.71 0.00 0.00 52.86 54.53 1jc5 s ASN 125 Cb 0.00 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.99 1jc5 s ASN 125 CO 0.00 -0.87 0.33 -0.13 -1.51 0.00 0.00 177.10 174.91 1jc5 s ARG 126 N -2.38 4.07 0.29 -0.60 0.52 0.58 0.42 118.95 121.85 1jc5 s ARG 126 Ca 0.59 0.01 0.04 0.00 -0.52 0.00 0.00 55.73 55.85 1jc5 s ARG 126 Cb -0.35 -3.60 -0.06 0.00 0.52 0.00 0.00 34.95 31.47 1jc5 s ARG 126 CO 0.44 -0.13 0.02 0.96 0.02 0.00 0.00 175.30 176.61 1jc5 s ILE 127 N 1.61 1.21 0.25 1.52 -4.36 -0.00 -0.73 121.20 120.70 1jc5 s ILE 127 Ca 0.14 -2.03 -0.21 0.00 -0.26 0.00 0.00 60.65 58.29 1jc5 s ILE 127 Cb -0.15 -2.62 0.05 0.00 1.25 0.00 0.00 42.46 41.00 1jc5 s ILE 127 CO 0.08 -0.14 0.88 0.21 0.24 0.00 0.00 174.94 176.22 1jc5 s ASN 128 N -3.43 -0.11 -0.03 4.36 3.84 -0.58 -1.11 114.94 117.88 1jc5 s ASN 128 Ca 0.33 -0.69 0.02 0.00 0.21 0.00 0.00 52.86 52.73 1jc5 s ASN 128 Cb 0.07 0.64 0.00 0.00 -0.55 0.00 0.00 41.25 41.41 1jc5 s ASN 128 CO 0.13 -1.22 -0.09 -0.36 -2.79 0.00 0.00 177.10 172.77 1jc5 s PHE 129 N -2.95 1.00 -0.83 0.43 0.40 -1.26 -0.19 117.98 114.57 1jc5 s PHE 129 Ca 0.15 -0.26 -0.22 0.00 -0.60 0.00 0.00 56.93 56.00 1jc5 s PHE 129 Cb -0.04 -0.72 0.09 0.00 0.51 0.00 0.00 43.02 42.86 1jc5 s PHE 129 CO 0.06 -0.12 1.14 -1.64 0.70 0.00 0.00 175.22 175.37 1jc5 s MET 130 N 0.26 3.39 0.00 0.44 -1.94 0.18 -0.51 119.30 121.12 1jc5 s MET 130 Ca -0.04 -1.18 0.00 0.00 -1.71 0.00 0.00 55.69 52.76 1jc5 s MET 130 Cb -0.10 -4.69 0.00 0.00 2.01 0.00 0.00 34.83 32.05 1jc5 s MET 130 CO 0.01 -1.90 0.00 0.72 -0.01 0.00 0.00 175.02 173.83 1jc5 n HIS 131 N 7.65 0.00 -0.31 -0.03 8.25 -0.42 -3.92 115.22 126.45 1jc5 n HIS 131 Ca 0.14 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.71 1jc5 n HIS 131 Cb 0.48 0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.81 1jc5 n HIS 131 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1jc5 n PRO 132 N 0.00 -0.07 -0.23 -0.41 -0.02 -1.26 0.30 135.00 133.31 1jc5 n PRO 132 Ca 0.00 1.34 0.07 0.00 -2.02 0.00 0.00 63.50 62.89 1jc5 n PRO 132 Cb 0.00 -2.08 0.33 0.00 -0.02 0.00 0.00 33.50 31.72 1jc5 n PRO 132 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1jc5 h LYS 133 N 0.00 0.79 -0.04 -0.52 3.11 -1.85 0.34 116.57 118.40 1jc5 h LYS 133 Ca 0.50 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 58.29 1jc5 h LYS 133 Cb 0.96 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.01 1jc5 h LYS 133 CO -0.85 0.52 0.00 0.43 -2.81 0.00 0.00 179.45 176.74 1jc5 n SER 134 N -4.50 0.74 -0.11 4.20 7.64 0.88 -3.15 113.62 119.32 1jc5 n SER 134 Ca 0.13 -1.39 0.01 0.00 1.01 0.00 0.00 58.87 58.63 1jc5 n SER 134 Cb 0.27 -0.02 0.01 0.00 -1.01 0.00 0.00 64.21 63.45 1jc5 n SER 134 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jc5 n GLY 135 N 1.02 -1.05 3.02 0.23 0.00 0.10 -4.87 105.19 103.64 1jc5 n GLY 135 Ca 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 1jc5 n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jc5 n LYS 136 N 0.08 -1.57 -0.04 1.61 4.01 -0.19 -3.24 118.16 118.83 1jc5 n LYS 136 Ca 0.02 1.64 0.00 0.00 -0.51 0.00 0.00 58.31 59.45 1jc5 n LYS 136 Cb 0.07 -5.72 0.00 0.00 -0.51 0.00 0.00 35.03 28.88 1jc5 n LYS 136 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1jc5 n GLY 137 N -1.43 2.21 3.49 0.72 0.00 -1.19 -4.98 105.19 104.01 1jc5 n GLY 137 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1jc5 n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jc5 s VAL 138 N -2.56 2.91 -0.32 1.61 1.01 -1.20 -5.07 120.40 116.77 1jc5 s VAL 138 Ca 0.00 -1.28 -0.19 0.00 0.00 0.00 0.00 61.98 60.51 1jc5 s VAL 138 Cb 0.00 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 1jc5 s VAL 138 CO 0.00 0.24 0.59 -0.22 0.00 0.00 0.00 175.10 175.71 1jc5 s LEU 139 N -1.74 4.21 -0.17 3.92 2.96 -1.26 -4.20 118.68 122.40 1jc5 s LEU 139 Ca 0.16 0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 54.32 1jc5 s LEU 139 Cb -0.11 -2.73 -0.00 0.00 0.50 0.00 0.00 46.19 43.85 1jc5 s LEU 139 CO 0.08 -0.48 -0.12 -0.63 -1.32 0.00 0.00 176.35 173.88 1jc5 s ILE 140 N 2.54 2.89 -0.06 6.68 1.01 -1.25 -2.63 121.20 130.37 1jc5 s ILE 140 Ca 0.23 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 60.09 1jc5 s ILE 140 Cb -0.15 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 1jc5 s ILE 140 CO 0.13 0.49 0.27 -0.70 0.00 0.00 0.00 174.94 175.12 1jc5 s GLU 141 N 0.96 3.66 -0.19 2.79 2.12 0.51 0.47 118.70 129.03 1jc5 s GLU 141 Ca -0.02 0.12 -0.11 0.00 0.36 0.00 0.00 54.97 55.32 1jc5 s GLU 141 Cb -0.15 -3.20 -0.05 0.00 0.26 0.00 0.00 34.13 30.99 1jc5 s GLU 141 CO -0.01 0.74 0.19 -0.51 -0.54 0.00 0.00 175.26 175.12 1jc5 s LEU 142 N -1.06 4.22 -0.06 2.70 1.02 0.73 0.64 118.68 126.87 1jc5 s LEU 142 Ca 0.19 0.33 -0.02 0.00 0.02 0.00 0.00 54.13 54.64 1jc5 s LEU 142 Cb -0.14 -2.19 0.04 0.00 0.02 0.00 0.00 46.19 43.92 1jc5 s LEU 142 CO 0.08 0.15 0.08 0.28 0.02 0.00 0.00 176.35 176.97 1jc5 s THR 143 N 0.39 -0.14 -0.13 5.49 -1.32 -0.42 -1.53 115.64 117.99 1jc5 s THR 143 Ca 0.11 0.38 -0.02 0.00 -1.21 0.00 0.00 61.69 60.95 1jc5 s THR 143 Cb -0.12 -0.20 -0.03 0.00 -1.51 0.00 0.00 72.50 70.64 1jc5 s THR 143 CO 0.00 0.14 -0.06 -1.58 -2.21 0.00 0.00 174.62 170.91 1jc5 s GLN 144 N 2.19 3.40 0.45 7.08 0.74 0.09 -1.25 119.66 132.36 1jc5 s GLN 144 Ca 0.05 -0.56 -0.23 0.00 0.05 0.00 0.00 55.36 54.67 1jc5 s GLN 144 Cb -0.12 -2.78 -0.08 0.00 1.10 0.00 0.00 33.01 31.12 1jc5 s GLN 144 CO -0.04 0.34 1.11 0.71 -0.55 0.00 0.00 175.29 176.86 1jc5 s TYR 145 N 0.07 3.00 0.37 1.67 1.51 -1.26 -0.31 117.35 122.40 1jc5 s TYR 145 Ca -0.02 1.58 -0.28 0.00 -1.01 0.00 0.00 57.07 57.34 1jc5 s TYR 145 Cb -0.14 -3.25 -0.10 0.00 -0.11 0.00 0.00 41.96 38.36 1jc5 s TYR 145 CO 0.03 -1.14 1.42 -1.25 -1.11 0.00 0.00 175.55 173.49 1jc5 s PRO 146 N -2.76 4.14 0.54 -1.71 0.04 -1.25 -4.80 135.00 129.20 1jc5 s PRO 146 Ca 0.63 2.43 -0.16 0.00 0.04 0.00 0.00 61.00 63.94 1jc5 s PRO 146 Cb -0.24 -2.96 -0.06 0.00 0.04 0.00 0.00 34.50 31.27 1jc5 s PRO 146 CO 0.30 -0.45 1.01 0.15 0.04 0.00 0.00 177.00 178.05 1jc5 s LYS 147 N -2.05 3.73 0.00 4.56 1.02 -1.26 -5.06 119.74 120.68 1jc5 s LYS 147 Ca 0.52 1.04 0.00 0.00 0.02 0.00 0.00 55.97 57.55 1jc5 s LYS 147 Cb -0.44 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.77 1jc5 s LYS 147 CO 0.59 -0.46 0.00 -1.71 -0.92 0.00 0.00 175.35 172.84