#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jc5 n GLU 4 N 0.00 0.00 -2.83 -3.83 0.28 -1.26 -5.13 120.64 107.87 1jc5 n GLU 4 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 1jc5 n GLU 4 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 1jc5 n GLU 4 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1jc5 s ASP 5 N 0.00 6.88 0.00 -1.84 1.01 -1.26 -4.91 116.67 116.55 1jc5 s ASP 5 Ca 0.00 1.08 0.25 0.00 0.71 0.00 0.00 52.55 54.59 1jc5 s ASP 5 Cb 0.00 -2.46 0.69 0.00 1.01 0.00 0.00 42.92 42.16 1jc5 s ASP 5 CO 0.00 -0.57 1.54 0.18 0.21 0.00 0.00 175.17 176.52 1jc5 n LEU 6 N 6.13 2.15 -3.78 1.23 4.77 -1.26 -4.89 117.00 121.36 1jc5 n LEU 6 Ca 0.07 -0.80 -0.15 0.00 -0.03 0.00 0.00 56.01 55.10 1jc5 n LEU 6 Cb 0.47 -0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 41.34 1jc5 n LEU 6 CO 0.49 0.40 -0.35 -0.36 -1.33 0.00 0.00 177.39 176.24 1jc5 s PHE 7 N -1.88 0.03 0.07 -1.77 0.08 -1.26 -4.72 117.98 108.53 1jc5 s PHE 7 Ca 0.34 0.12 -0.12 0.00 0.12 0.00 0.00 56.93 57.40 1jc5 s PHE 7 Cb 0.20 -0.23 -0.26 0.00 -0.57 0.00 0.00 43.02 42.16 1jc5 s PHE 7 CO 0.31 -0.09 1.13 0.82 -0.10 0.00 0.00 175.22 177.29 1jc5 h ILE 8 N 6.23 1.33 0.00 0.64 2.04 -1.56 -3.50 117.51 122.70 1jc5 h ILE 8 Ca -0.45 -2.57 0.00 0.00 1.00 0.00 0.00 64.86 62.85 1jc5 h ILE 8 Cb 1.13 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.92 1jc5 h ILE 8 CO 0.48 0.77 0.00 0.00 0.00 0.00 0.00 178.15 179.40 1jc5 s ILE 10 N -2.00 4.51 -0.03 0.00 1.01 -1.26 -1.32 121.20 122.11 1jc5 s ILE 10 Ca 0.00 1.82 -0.26 0.00 0.00 0.00 0.00 60.65 62.21 1jc5 s ILE 10 Cb 0.00 -4.18 -0.20 0.00 0.01 0.00 0.00 42.46 38.09 1jc5 s ILE 10 CO 0.00 -0.17 1.25 -0.78 0.00 0.00 0.00 174.94 175.24 1jc5 h ASP 11 N 7.79 -0.01 -4.97 3.58 3.58 -0.73 -3.37 116.42 122.28 1jc5 h ASP 11 Ca -0.22 -0.49 -0.01 0.00 0.42 0.00 0.00 57.03 56.73 1jc5 h ASP 11 Cb 1.08 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 42.01 1jc5 h ASP 11 CO 0.98 0.49 0.23 -1.38 -2.88 0.00 0.00 179.24 176.68 1jc5 s HIS 12 N -4.19 -0.51 -0.24 0.28 -3.43 -1.13 -2.31 115.29 103.75 1jc5 s HIS 12 Ca -0.16 0.30 -0.03 0.00 -0.80 0.00 0.00 55.06 54.38 1jc5 s HIS 12 Cb 0.01 0.56 0.02 0.00 -1.43 0.00 0.00 32.58 31.74 1jc5 s HIS 12 CO 0.67 -0.84 -0.05 0.08 -2.00 0.00 0.00 174.74 172.60 1jc5 s VAL 13 N -3.70 3.06 -0.09 -5.38 1.01 -0.44 -1.34 120.40 113.51 1jc5 s VAL 13 Ca 0.02 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 60.89 1jc5 s VAL 13 Cb -0.01 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1jc5 s VAL 13 CO -0.12 0.27 0.84 0.00 0.00 0.00 0.00 175.10 176.08 1jc5 s ALA 14 N 1.38 3.35 -0.20 5.51 0.00 0.22 -0.86 121.76 131.16 1jc5 s ALA 14 Ca 0.02 0.22 -0.01 0.00 0.00 0.00 0.00 51.96 52.19 1jc5 s ALA 14 Cb -0.16 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.79 1jc5 s ALA 14 CO -0.04 -0.35 -0.12 -0.47 0.00 0.00 0.00 175.76 174.78 1jc5 s TYR 15 N 1.38 2.89 -0.09 0.00 5.04 0.23 0.91 117.35 127.71 1jc5 s TYR 15 Ca 0.42 -1.33 -0.12 0.00 -2.44 0.00 0.00 57.07 53.61 1jc5 s TYR 15 Cb -0.18 -2.01 -0.05 0.00 0.35 0.00 0.00 41.96 40.07 1jc5 s TYR 15 CO 0.19 -0.69 0.27 0.00 -1.34 0.00 0.00 175.55 173.98 1jc5 s ALA 16 N 1.38 3.73 0.18 3.97 0.00 -0.46 0.15 121.76 130.71 1jc5 s ALA 16 Ca 0.05 -0.45 -0.17 0.00 0.00 0.00 0.00 51.96 51.40 1jc5 s ALA 16 Cb -0.14 -2.23 0.03 0.00 0.00 0.00 0.00 23.12 20.77 1jc5 s ALA 16 CO -0.08 0.41 0.48 0.00 0.00 0.00 0.00 175.76 176.58 1jc5 h PRO 18 N 2.25 0.00 -2.89 0.00 0.13 -1.87 -3.35 132.00 126.27 1jc5 h PRO 18 Ca -0.30 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.38 1jc5 h PRO 18 Cb 1.26 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.99 1jc5 h PRO 18 CO 0.40 0.05 -0.74 0.34 -0.23 0.00 0.00 178.00 177.83 1jc5 s ASP 19 N -5.90 2.44 0.23 1.44 -1.08 -1.26 -4.51 116.67 108.03 1jc5 s ASP 19 Ca 0.02 -0.70 -0.04 0.00 -0.52 0.00 0.00 52.55 51.31 1jc5 s ASP 19 Cb 0.08 -0.15 0.24 0.00 -1.46 0.00 0.00 42.92 41.63 1jc5 s ASP 19 CO 0.59 -0.37 1.68 0.00 0.52 0.00 0.00 175.17 177.59 1jc5 h ALA 20 N 8.40 0.96 -0.01 3.66 0.00 -1.86 -2.78 119.26 127.62 1jc5 h ALA 20 Ca -0.16 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1jc5 h ALA 20 Cb 1.12 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1jc5 h ALA 20 CO 0.32 0.61 0.01 -0.44 0.00 0.00 0.00 179.25 179.75 1jc5 h ASP 21 N 0.72 0.01 -0.58 0.00 3.32 -1.98 -0.43 116.42 117.48 1jc5 h ASP 21 Ca 0.12 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.17 1jc5 h ASP 21 Cb 0.61 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 1jc5 h ASP 21 CO 0.04 0.04 0.34 -0.08 -1.72 0.00 0.00 179.24 177.86 1jc5 h GLU 22 N -0.02 0.64 -0.41 3.56 4.81 -1.98 -0.91 114.58 120.27 1jc5 h GLU 22 Ca 0.00 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1jc5 h GLU 22 Cb 0.03 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1jc5 h GLU 22 CO -0.00 0.43 -0.04 0.00 -0.73 0.00 0.00 179.01 178.66 1jc5 h ALA 23 N 1.27 0.56 -0.75 2.92 0.00 -1.31 -1.72 119.26 120.23 1jc5 h ALA 23 Ca 0.24 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1jc5 h ALA 23 Cb 0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1jc5 h ALA 23 CO -0.12 0.38 0.36 1.03 0.00 0.00 0.00 179.25 180.90 1jc5 h SER 24 N 0.57 0.97 0.59 0.00 0.87 -0.78 0.10 113.55 115.88 1jc5 h SER 24 Ca 0.11 -0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 1jc5 h SER 24 Cb 0.54 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1jc5 h SER 24 CO 0.03 0.83 -0.35 0.11 -0.53 0.00 0.00 176.83 176.92 1jc5 h LYS 25 N 1.05 0.00 -0.06 2.24 1.57 -1.04 -1.14 116.57 119.18 1jc5 h LYS 25 Ca 0.26 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.90 1jc5 h LYS 25 Cb 0.11 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.43 1jc5 h LYS 25 CO -0.03 0.35 -0.51 -0.92 -0.57 0.00 0.00 179.45 177.78 1jc5 h TYR 26 N 0.00 0.63 -0.77 -1.35 3.20 -0.74 0.03 116.97 117.97 1jc5 h TYR 26 Ca -0.00 -0.30 0.01 0.00 3.14 0.00 0.00 58.73 61.58 1jc5 h TYR 26 Cb 0.74 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.88 1jc5 h TYR 26 CO 0.00 1.08 0.51 1.88 -1.64 0.00 0.00 178.16 179.99 1jc5 h TYR 27 N -0.00 0.96 0.04 -3.82 -1.99 -0.50 0.22 116.97 111.89 1jc5 h TYR 27 Ca -0.05 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 1jc5 h TYR 27 Cb 1.17 -0.33 0.00 0.00 2.00 0.00 0.00 36.73 39.58 1jc5 h TYR 27 CO 0.13 0.60 -0.02 1.96 -0.00 0.00 0.00 178.16 180.83 1jc5 h GLN 28 N 1.03 -0.06 0.01 4.88 4.20 -1.21 0.58 115.11 124.55 1jc5 h GLN 28 Ca 0.29 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 1jc5 h GLN 28 Cb -0.10 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1jc5 h GLN 28 CO -0.06 0.52 -0.01 0.93 -0.67 0.00 0.00 178.83 179.54 1jc5 h GLU 29 N -0.94 -0.01 0.04 1.46 5.08 -0.95 -0.99 114.58 118.27 1jc5 h GLU 29 Ca -0.01 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1jc5 h GLU 29 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1jc5 h GLU 29 CO 0.01 0.22 -0.69 1.15 -1.00 0.00 0.00 179.01 178.70 1jc5 h THR 30 N -0.24 1.40 0.00 1.13 2.02 -1.14 -3.39 112.91 112.68 1jc5 h THR 30 Ca -0.00 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 64.83 1jc5 h THR 30 Cb 0.24 2.95 0.00 0.00 -1.74 0.00 0.00 68.15 69.60 1jc5 h THR 30 CO 0.00 0.57 -0.95 0.49 0.37 0.00 0.00 175.52 176.00 1jc5 n PHE 31 N -4.37 0.42 -1.83 3.16 3.72 -0.95 -4.97 117.46 112.64 1jc5 n PHE 31 Ca -0.19 0.12 -0.09 0.00 -0.05 0.00 0.00 57.45 57.25 1jc5 n PHE 31 Cb 0.66 -0.56 -0.02 0.00 -0.94 0.00 0.00 39.48 38.62 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 1.33 0.40 3.88 1.37 0.00 -0.22 -4.95 105.19 106.99 1jc5 n GLY 32 Ca 0.02 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 3.20 -0.13 1.61 0.52 0.03 -4.91 118.94 116.85 1jc5 s TRP 33 Ca 0.00 0.99 -0.01 0.00 0.02 0.00 0.00 56.10 57.11 1jc5 s TRP 33 Cb 0.00 -3.16 -0.02 0.00 -1.15 0.00 0.00 33.47 29.14 1jc5 s TRP 33 CO 0.00 -1.37 -0.11 -1.01 0.02 0.00 0.00 176.95 174.49 1jc5 s HIS 34 N -3.39 2.86 -0.32 -1.98 3.76 0.65 -4.16 115.29 112.71 1jc5 s HIS 34 Ca 0.59 -0.49 -0.25 0.00 -0.15 0.00 0.00 55.06 54.76 1jc5 s HIS 34 Cb -0.11 -1.85 0.01 0.00 1.11 0.00 0.00 32.58 31.74 1jc5 s HIS 34 CO 0.51 -0.11 0.88 -2.00 -0.85 0.00 0.00 174.74 173.18 1jc5 s GLU 35 N 0.21 3.95 -0.01 1.40 2.12 -1.26 -1.15 118.70 123.95 1jc5 s GLU 35 Ca -0.06 0.69 0.22 0.00 0.36 0.00 0.00 54.97 56.18 1jc5 s GLU 35 Cb -0.15 -3.75 -0.31 0.00 0.26 0.00 0.00 34.13 30.18 1jc5 s GLU 35 CO 0.04 -0.79 0.55 1.28 -0.54 0.00 0.00 175.26 175.80 1jc5 n LEU 36 N 6.48 0.13 -3.61 2.70 4.77 0.56 -5.01 117.00 123.03 1jc5 n LEU 36 Ca 0.06 -0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 1jc5 n LEU 36 Cb 0.48 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1jc5 n LEU 36 CO 0.54 0.01 0.74 -2.28 -1.33 0.00 0.00 177.39 175.07 1jc5 s HIS 37 N -3.47 -0.44 -0.03 -1.77 5.04 -1.22 -4.98 115.29 108.42 1jc5 s HIS 37 Ca -0.06 0.94 0.02 0.00 -1.54 0.00 0.00 55.06 54.42 1jc5 s HIS 37 Cb 0.14 0.40 0.01 0.00 0.04 0.00 0.00 32.58 33.17 1jc5 s HIS 37 CO 0.90 -0.29 -0.06 0.50 -2.34 0.00 0.00 174.74 173.44 1jc5 s ARG 38 N -0.39 0.78 0.00 2.88 3.52 -1.26 -0.57 118.95 123.91 1jc5 s ARG 38 Ca 0.00 -0.19 0.01 0.00 -0.13 0.00 0.00 55.73 55.42 1jc5 s ARG 38 Cb -0.03 -0.75 -0.01 0.00 -1.56 0.00 0.00 34.95 32.60 1jc5 s ARG 38 CO -0.02 0.03 -0.02 -1.21 -0.81 0.00 0.00 175.30 173.27 1jc5 s GLU 39 N 0.41 0.19 -0.11 5.12 2.02 0.11 -5.00 118.70 121.44 1jc5 s GLU 39 Ca -0.06 -0.19 0.01 0.00 0.02 0.00 0.00 54.97 54.75 1jc5 s GLU 39 Cb -0.10 -0.11 0.02 0.00 0.10 0.00 0.00 34.13 34.05 1jc5 s GLU 39 CO 0.00 0.02 -0.12 -2.00 0.02 0.00 0.00 175.26 173.19 1jc5 s GLU 40 N -0.36 1.91 -0.58 1.61 2.12 -1.26 0.38 118.70 122.53 1jc5 s GLU 40 Ca -0.03 -0.43 0.04 0.00 0.36 0.00 0.00 54.97 54.91 1jc5 s GLU 40 Cb -0.03 -1.75 0.14 0.00 0.26 0.00 0.00 34.13 32.76 1jc5 s GLU 40 CO -0.00 -0.15 0.34 1.21 -0.54 0.00 0.00 175.26 176.11 1jc5 s ASN 41 N 1.29 4.53 0.27 -1.70 3.04 -0.33 -4.98 114.94 117.06 1jc5 s ASN 41 Ca -0.02 -3.21 -0.01 0.00 0.04 0.00 0.00 52.86 49.66 1jc5 s ASN 41 Cb -0.14 -1.66 0.61 0.00 -1.54 0.00 0.00 41.25 38.52 1jc5 s ASN 41 CO -0.05 -0.21 1.64 -0.65 -3.04 0.00 0.00 177.10 174.79 1jc5 h PRO 42 N 6.28 0.15 -0.02 0.43 0.11 -1.95 0.12 132.00 137.12 1jc5 h PRO 42 Ca -0.02 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.11 1jc5 h PRO 42 Cb 0.86 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.90 1jc5 h PRO 42 CO 0.70 0.10 -0.16 1.49 -0.21 0.00 0.00 178.00 179.92 1jc5 h GLU 43 N 0.16 -0.25 0.00 1.05 4.81 -1.95 -0.36 114.58 118.04 1jc5 h GLU 43 Ca 0.50 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 1jc5 h GLU 43 Cb 0.97 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1jc5 h GLU 43 CO -0.68 -0.17 0.00 1.04 -0.73 0.00 0.00 179.01 178.48 1jc5 n GLN 44 N -5.30 0.14 -2.14 1.92 3.00 -0.60 -4.87 117.38 109.52 1jc5 n GLN 44 Ca -0.05 0.26 -0.15 0.00 -0.01 0.00 0.00 57.00 57.06 1jc5 n GLN 44 Cb 0.21 -1.71 -0.02 0.00 0.00 0.00 0.00 30.24 28.73 1jc5 n GLN 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jc5 n GLY 45 N 0.58 0.06 3.14 1.08 0.00 0.31 -4.44 105.19 105.92 1jc5 n GLY 45 Ca 0.04 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 1jc5 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jc5 s VAL 46 N -2.71 1.26 -0.13 1.61 0.11 -1.08 0.90 120.40 120.36 1jc5 s VAL 46 Ca 0.00 -0.71 -0.01 0.00 -2.93 0.00 0.00 61.98 58.33 1jc5 s VAL 46 Cb 0.00 -1.05 -0.02 0.00 -1.53 0.00 0.00 36.38 33.77 1jc5 s VAL 46 CO 0.00 0.34 -0.10 0.54 -3.33 0.00 0.00 175.10 172.55 1jc5 s VAL 47 N -0.40 3.38 -0.01 2.04 0.11 -0.10 -1.18 120.40 124.24 1jc5 s VAL 47 Ca 0.06 -0.55 0.05 0.00 -2.93 0.00 0.00 61.98 58.61 1jc5 s VAL 47 Cb -0.06 -2.43 -0.01 0.00 -1.53 0.00 0.00 36.38 32.34 1jc5 s VAL 47 CO -0.00 0.53 -0.17 -1.61 -3.33 0.00 0.00 175.10 170.51 1jc5 s GLU 48 N 0.16 1.40 -0.06 1.54 2.02 0.16 -1.82 118.70 122.10 1jc5 s GLU 48 Ca -0.05 -0.61 0.02 0.00 0.02 0.00 0.00 54.97 54.35 1jc5 s GLU 48 Cb -0.14 -1.35 0.02 0.00 0.10 0.00 0.00 34.13 32.75 1jc5 s GLU 48 CO 0.04 0.36 -0.10 0.42 0.02 0.00 0.00 175.26 176.00 1jc5 s ILE 49 N -0.38 0.98 -0.23 -1.63 1.01 -0.08 0.09 121.20 120.96 1jc5 s ILE 49 Ca 0.06 -0.39 -0.13 0.00 0.00 0.00 0.00 60.65 60.19 1jc5 s ILE 49 Cb -0.07 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 1jc5 s ILE 49 CO -0.01 0.32 0.28 -0.04 0.00 0.00 0.00 174.94 175.49 1jc5 s MET 50 N 0.71 4.11 0.09 2.79 -1.94 0.27 -0.63 119.30 124.69 1jc5 s MET 50 Ca -0.14 -0.04 0.10 0.00 -1.71 0.00 0.00 55.69 53.90 1jc5 s MET 50 Cb -0.15 -3.55 -0.03 0.00 2.01 0.00 0.00 34.83 33.10 1jc5 s MET 50 CO 0.03 -0.02 -0.26 -1.64 -0.01 0.00 0.00 175.02 173.12 1jc5 s MET 51 N 1.27 1.58 0.04 2.03 1.00 0.57 -0.32 119.30 125.46 1jc5 s MET 51 Ca 0.13 -1.22 -0.00 0.00 0.00 0.00 0.00 55.69 54.60 1jc5 s MET 51 Cb -0.14 -1.91 -0.03 0.00 0.00 0.00 0.00 34.83 32.75 1jc5 s MET 51 CO 0.07 0.47 -0.03 0.00 0.00 0.00 0.00 175.02 175.52 1jc5 s ALA 52 N -0.94 0.34 -0.78 3.03 0.00 -0.30 -0.22 121.76 122.89 1jc5 s ALA 52 Ca 0.13 -0.88 0.22 0.00 0.00 0.00 0.00 51.96 51.42 1jc5 s ALA 52 Cb -0.10 0.19 0.87 0.00 0.00 0.00 0.00 23.12 24.08 1jc5 s ALA 52 CO 0.04 -0.24 1.67 -0.35 0.00 0.00 0.00 175.76 176.88 1jc5 n PRO 53 N 0.92 0.11 -4.23 0.00 -0.04 -1.26 -0.26 135.00 130.24 1jc5 n PRO 53 Ca -0.19 0.26 -0.15 0.00 -0.04 0.00 0.00 63.50 63.38 1jc5 n PRO 53 Cb 0.58 -1.67 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 1jc5 n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jc5 s ALA 54 N -3.12 1.35 0.32 0.55 0.00 -1.26 -4.75 121.76 114.84 1jc5 s ALA 54 Ca 0.08 -1.38 0.10 0.00 0.00 0.00 0.00 51.96 50.76 1jc5 s ALA 54 Cb 0.11 0.03 0.53 0.00 0.00 0.00 0.00 23.12 23.79 1jc5 s ALA 54 CO 0.40 -0.06 1.73 0.00 0.00 0.00 0.00 175.76 177.83 1jc5 h ALA 55 N 3.09 1.18 -3.09 0.00 0.00 -1.93 -3.42 119.26 115.09 1jc5 h ALA 55 Ca -0.37 -0.42 -0.67 0.00 0.00 0.00 0.00 54.91 53.45 1jc5 h ALA 55 Cb 1.19 -0.08 -0.34 0.00 0.00 0.00 0.00 17.79 18.56 1jc5 h ALA 55 CO 0.59 0.59 -0.85 0.15 0.00 0.00 0.00 179.25 179.73 1jc5 s LYS 56 N -4.02 3.03 0.48 0.00 1.02 -1.26 -5.01 119.74 113.97 1jc5 s LYS 56 Ca -0.03 -0.82 -0.22 0.00 0.02 0.00 0.00 55.97 54.92 1jc5 s LYS 56 Cb 0.14 -2.58 -0.07 0.00 -0.52 0.00 0.00 37.83 34.80 1jc5 s LYS 56 CO 0.75 -0.16 1.19 -0.51 -0.92 0.00 0.00 175.35 175.70 1jc5 s LEU 57 N 1.19 3.97 0.38 3.17 1.43 -1.26 -5.05 118.68 122.52 1jc5 s LEU 57 Ca 0.02 2.36 0.07 0.00 -1.03 0.00 0.00 54.13 55.55 1jc5 s LEU 57 Cb -0.14 -4.27 -0.00 0.00 0.03 0.00 0.00 46.19 41.81 1jc5 s LEU 57 CO -0.10 -1.03 0.49 0.42 0.23 0.00 0.00 176.35 176.37 1jc5 s THR 58 N -1.53 3.41 0.21 5.49 -4.23 -1.26 -4.98 115.64 112.74 1jc5 s THR 58 Ca 0.65 -1.06 -0.17 0.00 -1.18 0.00 0.00 61.69 59.94 1jc5 s THR 58 Cb -0.30 -3.17 0.20 0.00 1.34 0.00 0.00 72.50 70.58 1jc5 s THR 58 CO 0.36 -0.07 1.59 -0.08 -0.54 0.00 0.00 174.62 175.88 1jc5 h GLU 59 N 0.81 -0.08 -0.58 3.99 4.81 -2.05 -1.98 114.58 119.51 1jc5 h GLU 59 Ca -0.43 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1jc5 h GLU 59 Cb 1.27 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1jc5 h GLU 59 CO 0.50 -0.05 0.00 0.72 -0.73 0.00 0.00 179.01 179.45 1jc5 n HIS 60 N -5.46 1.33 -1.92 0.92 8.25 -1.26 -4.96 115.22 112.12 1jc5 n HIS 60 Ca 0.07 -0.63 -0.42 0.00 -0.26 0.00 0.00 57.72 56.48 1jc5 n HIS 60 Cb 0.37 -0.23 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 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 -1.87 4.12 0.18 -0.41 1.75 -0.75 -4.77 119.30 117.54 1jc5 s MET 61 Ca 0.47 2.26 -0.29 0.00 -1.25 0.00 0.00 55.69 56.88 1jc5 s MET 61 Cb 0.31 -4.05 -0.08 0.00 2.84 0.00 0.00 34.83 33.86 1jc5 s MET 61 CO 0.22 -0.94 0.92 0.99 -0.65 0.00 0.00 175.02 175.56 1jc5 s THR 62 N 4.35 4.28 0.41 10.11 2.01 -1.26 -4.81 115.64 130.73 1jc5 s THR 62 Ca 0.78 2.02 0.07 0.00 0.31 0.00 0.00 61.69 64.87 1jc5 s THR 62 Cb -0.35 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 67.82 1jc5 s THR 62 CO 0.33 0.43 0.27 -1.10 -0.69 0.00 0.00 174.62 173.86 1jc5 s GLN 63 N -0.71 2.36 -0.13 4.92 -0.21 -0.98 -4.78 119.66 120.13 1jc5 s GLN 63 Ca 0.42 -1.71 -0.02 0.00 0.02 0.00 0.00 55.36 54.08 1jc5 s GLN 63 Cb -0.24 -2.16 -0.02 0.00 1.00 0.00 0.00 33.01 31.58 1jc5 s GLN 63 CO 0.30 -0.15 -0.07 0.08 -2.12 0.00 0.00 175.29 173.34 1jc5 s VAL 64 N -2.54 3.65 -0.28 1.09 1.01 0.69 -1.33 120.40 122.69 1jc5 s VAL 64 Ca 0.44 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 1jc5 s VAL 64 Cb 0.01 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1jc5 s VAL 64 CO 0.25 0.52 0.06 -1.58 0.00 0.00 0.00 175.10 174.35 1jc5 s GLN 65 N 0.14 3.10 -0.14 2.72 0.74 -0.04 -0.31 119.66 125.87 1jc5 s GLN 65 Ca -0.03 -0.84 -0.21 0.00 0.05 0.00 0.00 55.36 54.33 1jc5 s GLN 65 Cb -0.14 -3.31 -0.03 0.00 1.10 0.00 0.00 33.01 30.63 1jc5 s GLN 65 CO 0.03 -0.41 0.63 0.08 -0.55 0.00 0.00 175.29 175.07 1jc5 s VAL 66 N 1.48 5.06 -0.04 1.34 1.01 0.20 0.77 120.40 130.22 1jc5 s VAL 66 Ca 0.03 1.23 0.06 0.00 0.00 0.00 0.00 61.98 63.29 1jc5 s VAL 66 Cb -0.17 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 1jc5 s VAL 66 CO 0.01 0.19 -0.22 -0.04 0.00 0.00 0.00 175.10 175.04 1jc5 s MET 67 N 1.35 2.06 -0.01 2.72 1.00 0.12 -0.90 119.30 125.64 1jc5 s MET 67 Ca 0.31 -0.80 -0.07 0.00 0.00 0.00 0.00 55.69 55.13 1jc5 s MET 67 Cb -0.16 -1.85 0.00 0.00 0.00 0.00 0.00 34.83 32.82 1jc5 s MET 67 CO 0.13 0.40 0.14 0.00 0.00 0.00 0.00 175.02 175.69 1jc5 s ALA 68 N -0.29 -0.34 0.45 3.03 0.00 -0.76 -0.68 121.76 123.18 1jc5 s ALA 68 Ca 0.02 -0.03 -0.21 0.00 0.00 0.00 0.00 51.96 51.74 1jc5 s ALA 68 Cb -0.11 0.05 -0.09 0.00 0.00 0.00 0.00 23.12 22.97 1jc5 s ALA 68 CO 0.01 -0.19 1.02 -1.25 0.00 0.00 0.00 175.76 175.36 1jc5 s PRO 69 N -1.14 3.98 -0.01 0.00 0.04 -1.26 -0.92 135.00 135.70 1jc5 s PRO 69 Ca -0.12 1.36 0.14 0.00 0.04 0.00 0.00 61.00 62.42 1jc5 s PRO 69 Cb -0.07 -2.24 -0.17 0.00 0.04 0.00 0.00 34.50 32.06 1jc5 s PRO 69 CO 0.01 -0.28 0.53 1.28 0.04 0.00 0.00 177.00 178.58 1jc5 n LEU 70 N -0.65 0.49 -3.53 -3.56 4.77 0.26 -4.80 117.00 109.98 1jc5 n LEU 70 Ca 0.08 -0.37 -0.15 0.00 -0.03 0.00 0.00 56.01 55.54 1jc5 n LEU 70 Cb 0.52 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1jc5 n LEU 70 CO 0.41 0.12 0.55 0.54 -1.33 0.00 0.00 177.39 177.68 1jc5 s ASN 71 N -2.70 -0.55 0.00 -1.43 2.20 -1.25 -5.02 114.94 106.18 1jc5 s ASN 71 Ca 0.03 0.56 0.02 0.00 -0.94 0.00 0.00 52.86 52.52 1jc5 s ASN 71 Cb 0.10 0.46 0.11 0.00 -2.00 0.00 0.00 41.25 39.93 1jc5 s ASN 71 CO 0.59 -0.55 0.48 0.47 -2.94 0.00 0.00 177.10 175.15 1jc5 n ASP 72 N 0.75 0.00 -0.01 3.54 9.92 -1.26 -1.67 116.55 127.82 1jc5 n ASP 72 Ca -0.16 -0.65 0.09 0.00 -0.53 0.00 0.00 54.79 53.54 1jc5 n ASP 72 Cb 0.58 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.91 1jc5 n ASP 72 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1jc5 n GLU 73 N -0.58 0.58 -1.47 -1.24 -0.58 -1.26 -4.68 120.64 111.42 1jc5 n GLU 73 Ca 0.01 -0.17 -0.35 0.00 -0.42 0.00 0.00 57.16 56.23 1jc5 n GLU 73 Cb 0.01 -1.45 0.09 0.00 -0.57 0.00 0.00 31.44 29.52 1jc5 n GLU 73 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1jc5 s SER 74 N -4.21 4.15 0.17 1.62 1.04 -0.67 -4.90 113.70 110.90 1jc5 s SER 74 Ca -0.07 2.51 -0.14 0.00 0.48 0.00 0.00 55.95 58.73 1jc5 s SER 74 Cb 0.12 -2.61 0.12 0.00 0.10 0.00 0.00 66.02 63.75 1jc5 s SER 74 CO 0.79 -2.30 1.77 0.74 0.98 0.00 0.00 173.24 175.23 1jc5 h THR 75 N -0.09 0.93 -0.91 2.02 2.02 -1.90 -2.63 112.91 112.35 1jc5 h THR 75 Ca -0.49 -0.14 0.06 0.00 0.77 0.00 0.00 66.41 66.61 1jc5 h THR 75 Cb 1.32 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 68.14 1jc5 h THR 75 CO 0.50 0.08 0.58 0.58 0.37 0.00 0.00 175.52 177.62 1jc5 h VAL 76 N 0.42 1.07 -0.53 3.16 2.07 -1.91 -1.66 116.25 118.87 1jc5 h VAL 76 Ca 0.21 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1jc5 h VAL 76 Cb 0.15 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.81 1jc5 h VAL 76 CO -0.17 0.19 0.28 0.00 0.02 0.00 0.00 177.57 177.90 1jc5 h ALA 77 N 1.41 0.67 0.00 1.67 0.00 -1.74 -0.29 119.26 120.99 1jc5 h ALA 77 Ca 0.39 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1jc5 h ALA 77 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1jc5 h ALA 77 CO -0.17 0.20 -0.38 0.87 0.00 0.00 0.00 179.25 179.78 1jc5 h LYS 78 N 0.70 0.00 -0.09 0.00 1.57 -1.34 -0.40 116.57 117.01 1jc5 h LYS 78 Ca 0.18 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 1jc5 h LYS 78 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1jc5 h LYS 78 CO -0.03 0.38 -0.13 2.35 -0.57 0.00 0.00 179.45 181.45 1jc5 h TRP 79 N 0.00 0.31 -0.79 -1.35 7.01 -0.88 -2.00 115.95 118.25 1jc5 h TRP 79 Ca -0.00 -0.10 0.01 0.00 2.11 0.00 0.00 58.89 60.90 1jc5 h TRP 79 Cb 0.92 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.88 1jc5 h TRP 79 CO 0.00 0.72 0.52 -0.07 -2.79 0.00 0.00 178.44 176.82 1jc5 h LEU 80 N -0.19 0.91 -0.51 0.65 3.38 -0.82 -2.07 115.31 116.67 1jc5 h LEU 80 Ca 0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1jc5 h LEU 80 Cb 0.68 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1jc5 h LEU 80 CO 0.03 0.66 0.21 0.00 0.09 0.00 0.00 178.44 179.43 1jc5 h ALA 81 N 1.51 0.66 0.00 1.53 0.00 -0.99 0.78 119.26 122.75 1jc5 h ALA 81 Ca 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jc5 h ALA 81 Cb -0.12 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1jc5 h ALA 81 CO -0.06 0.26 0.00 1.63 0.00 0.00 0.00 179.25 181.08 1jc5 n LYS 82 N -4.56 0.86 -2.64 0.00 5.02 -0.76 -3.67 118.16 112.41 1jc5 n LYS 82 Ca 0.02 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.18 1jc5 n LYS 82 Cb 0.15 -1.14 0.02 0.00 -0.02 0.00 0.00 35.03 34.04 1jc5 n LYS 82 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1jc5 n HIS 83 N -0.64 1.54 -1.43 2.13 8.25 -0.91 -4.94 115.22 119.22 1jc5 n HIS 83 Ca 0.06 -2.88 -0.15 0.00 -0.26 0.00 0.00 57.72 54.49 1jc5 n HIS 83 Cb 0.03 -0.33 -0.06 0.00 1.12 0.00 0.00 29.99 30.74 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 -0.13 -5.41 -1.08 0.41 3.02 -1.24 -1.96 115.26 108.87 1jc5 n ASN 84 Ca 0.15 0.36 -0.12 0.00 -0.03 0.00 0.00 54.58 54.95 1jc5 n ASN 84 Cb 0.79 -4.21 -0.05 0.00 -0.61 0.00 0.00 39.78 35.70 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 -0.32 1.10 3.88 7.41 0.00 0.27 -4.92 105.19 112.61 1jc5 n GLY 85 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1jc5 n GLY 85 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1jc5 s ARG 86 N -2.85 3.36 0.65 1.61 1.70 -0.83 -4.79 118.95 117.81 1jc5 s ARG 86 Ca 0.00 -0.33 -0.18 0.00 -0.47 0.00 0.00 55.73 54.75 1jc5 s ARG 86 Cb 0.00 -3.06 -0.01 0.00 -0.57 0.00 0.00 34.95 31.31 1jc5 s ARG 86 CO 0.00 0.68 1.29 0.00 -1.08 0.00 0.00 175.30 176.19 1jc5 s ALA 87 N -1.26 2.35 -0.03 7.88 0.00 -1.26 -4.89 121.76 124.55 1jc5 s ALA 87 Ca 0.25 1.20 -0.30 0.00 0.00 0.00 0.00 51.96 53.11 1jc5 s ALA 87 Cb -0.12 -3.55 0.11 0.00 0.00 0.00 0.00 23.12 19.55 1jc5 s ALA 87 CO 0.16 -1.63 0.96 0.20 0.00 0.00 0.00 175.76 175.45 1jc5 s GLY 88 N -1.43 -0.42 0.12 0.00 0.00 -0.11 -4.99 107.32 100.49 1jc5 s GLY 88 Ca 0.82 1.06 -0.31 0.00 0.00 0.00 0.00 44.72 46.29 1jc5 s GLY 88 CO 0.40 0.35 1.70 1.08 0.00 0.00 0.00 173.10 176.63 1jc5 s LEU 89 N -2.47 4.38 -0.25 0.66 1.43 -1.26 -1.35 118.68 119.82 1jc5 s LEU 89 Ca 0.07 2.63 -0.16 0.00 -1.03 0.00 0.00 54.13 55.64 1jc5 s LEU 89 Cb -0.01 -3.57 -0.15 0.00 0.03 0.00 0.00 46.19 42.49 1jc5 s LEU 89 CO -0.07 -0.92 -0.12 1.57 0.23 0.00 0.00 176.35 177.04 1jc5 n HIS 90 N 5.17 0.42 -3.72 0.29 -0.00 0.26 -4.87 115.22 112.78 1jc5 n HIS 90 Ca 0.16 0.17 -0.03 0.00 -0.00 0.00 0.00 57.72 58.02 1jc5 n HIS 90 Cb 0.39 -1.04 -0.01 0.00 -0.00 0.00 0.00 29.99 29.32 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 -2.46 -0.13 -0.06 1.57 -3.43 -1.14 -4.59 115.29 105.05 1jc5 s HIS 91 Ca -0.35 -0.13 0.00 0.00 -0.80 0.00 0.00 55.06 53.78 1jc5 s HIS 91 Cb 0.11 0.62 -0.03 0.00 -1.43 0.00 0.00 32.58 31.85 1jc5 s HIS 91 CO 0.54 -0.73 -0.03 -1.64 -2.00 0.00 0.00 174.74 170.88 1jc5 s MET 92 N -3.15 2.83 -0.08 -0.38 -1.94 -1.14 -0.61 119.30 114.82 1jc5 s MET 92 Ca 0.12 -0.51 0.05 0.00 -1.71 0.00 0.00 55.69 53.64 1jc5 s MET 92 Cb -0.01 -2.68 -0.00 0.00 2.01 0.00 0.00 34.83 34.15 1jc5 s MET 92 CO 0.01 0.67 -0.24 0.00 -0.01 0.00 0.00 175.02 175.45 1jc5 s ALA 93 N -0.89 2.13 -0.11 3.03 0.00 -0.45 -0.04 121.76 125.43 1jc5 s ALA 93 Ca 0.14 -0.98 -0.00 0.00 0.00 0.00 0.00 51.96 51.11 1jc5 s ALA 93 Cb -0.11 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 1jc5 s ALA 93 CO 0.03 0.34 -0.08 -1.58 0.00 0.00 0.00 175.76 174.47 1jc5 s TRP 94 N 0.12 2.90 0.06 0.00 0.51 0.44 -0.02 118.94 122.95 1jc5 s TRP 94 Ca -0.12 -0.27 -0.28 0.00 -2.12 0.00 0.00 56.10 53.31 1jc5 s TRP 94 Cb -0.16 -1.81 -0.05 0.00 -0.81 0.00 0.00 33.47 30.64 1jc5 s TRP 94 CO 0.06 0.06 0.88 0.50 -0.51 0.00 0.00 176.95 177.94 1jc5 s ARG 95 N -0.14 4.59 0.15 4.98 3.52 -0.43 -1.39 118.95 130.23 1jc5 s ARG 95 Ca 0.01 1.27 0.10 0.00 -0.13 0.00 0.00 55.73 56.98 1jc5 s ARG 95 Cb -0.13 -3.39 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 1jc5 s ARG 95 CO 0.03 0.19 -0.23 0.14 -0.81 0.00 0.00 175.30 174.61 1jc5 s VAL 96 N 0.19 2.10 -0.13 7.11 -7.23 -0.14 -1.35 120.40 120.94 1jc5 s VAL 96 Ca 0.44 -1.81 0.15 0.00 -1.81 0.00 0.00 61.98 58.95 1jc5 s VAL 96 Cb -0.22 -1.91 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 1jc5 s VAL 96 CO 0.26 -0.06 1.18 -0.78 -0.31 0.00 0.00 175.10 175.39 1jc5 h ASP 97 N 3.63 0.00 -1.73 4.85 1.82 -1.88 -3.38 116.42 119.73 1jc5 h ASP 97 Ca -0.47 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 55.90 1jc5 h ASP 97 Cb 1.19 0.00 -0.28 0.00 0.68 0.00 0.00 39.33 40.91 1jc5 h ASP 97 CO 0.43 0.55 -0.61 -0.62 -1.61 0.00 0.00 179.24 177.38 1jc5 s ASP 98 N -6.18 0.53 0.39 2.28 -1.08 -1.26 -4.95 116.67 106.41 1jc5 s ASP 98 Ca 0.01 -1.12 0.07 0.00 -0.52 0.00 0.00 52.55 51.00 1jc5 s ASP 98 Cb 0.08 0.93 0.83 0.00 -1.46 0.00 0.00 42.92 43.31 1jc5 s ASP 98 CO 0.78 -0.27 2.01 -0.29 0.52 0.00 0.00 175.17 177.91 1jc5 h ILE 99 N 5.37 1.05 0.57 4.11 2.10 -1.92 0.40 117.51 129.19 1jc5 h ILE 99 Ca 0.01 -0.21 -0.03 0.00 1.08 0.00 0.00 64.86 65.71 1jc5 h ILE 99 Cb 1.09 0.37 0.01 0.00 -1.09 0.00 0.00 36.82 37.20 1jc5 h ILE 99 CO 0.20 0.11 -0.27 0.44 -1.08 0.00 0.00 178.15 177.56 1jc5 h ASP 100 N 0.62 -0.65 -0.67 2.19 3.32 -1.98 0.77 116.42 120.03 1jc5 h ASP 100 Ca 0.23 0.02 0.13 0.00 0.02 0.00 0.00 57.03 57.43 1jc5 h ASP 100 Cb 0.14 0.17 -0.13 0.00 0.22 0.00 0.00 39.33 39.73 1jc5 h ASP 100 CO -0.06 -0.31 -0.23 0.00 -1.72 0.00 0.00 179.24 176.92 1jc5 h ALA 101 N -1.34 0.29 0.00 3.45 0.00 -1.94 0.21 119.26 119.93 1jc5 h ALA 101 Ca -0.08 0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1jc5 h ALA 101 Cb 0.58 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1jc5 h ALA 101 CO 0.13 -0.51 -0.27 0.28 0.00 0.00 0.00 179.25 178.89 1jc5 h VAL 102 N -0.06 0.98 0.00 0.00 2.07 -0.94 -1.74 116.25 116.57 1jc5 h VAL 102 Ca 0.30 -0.98 -0.13 0.00 0.82 0.00 0.00 66.70 66.71 1jc5 h VAL 102 Cb 0.53 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1jc5 h VAL 102 CO -0.72 0.26 -0.62 0.28 0.02 0.00 0.00 177.57 176.79 1jc5 h SER 103 N 0.00 0.00 0.02 0.57 0.02 0.18 0.01 113.55 114.35 1jc5 h SER 103 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jc5 h SER 103 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1jc5 h SER 103 CO 0.03 0.62 -0.01 0.00 -1.14 0.00 0.00 176.83 176.34 1jc5 h ALA 104 N 1.38 -0.03 -0.21 3.77 0.00 -0.17 0.01 119.26 124.01 1jc5 h ALA 104 Ca -0.01 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1jc5 h ALA 104 Cb 1.12 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1jc5 h ALA 104 CO 0.08 -0.31 0.11 1.15 0.00 0.00 0.00 179.25 180.28 1jc5 h THR 105 N -0.45 1.01 -0.40 0.00 2.02 -1.27 0.24 112.91 114.06 1jc5 h THR 105 Ca -0.00 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.10 1jc5 h THR 105 Cb 0.43 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1jc5 h THR 105 CO 0.00 0.04 0.26 -0.07 0.37 0.00 0.00 175.52 176.12 1jc5 h LEU 106 N 0.23 0.44 -0.34 2.58 3.38 -0.98 -1.95 115.31 118.67 1jc5 h LEU 106 Ca 0.08 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1jc5 h LEU 106 Cb 0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1jc5 h LEU 106 CO -0.05 0.32 0.19 0.03 0.09 0.00 0.00 178.44 179.02 1jc5 h ARG 107 N 0.52 0.38 -0.19 1.13 2.47 -0.71 0.15 114.38 118.14 1jc5 h ARG 107 Ca 0.15 -0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.90 1jc5 h ARG 107 Cb -0.05 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.18 1jc5 h ARG 107 CO -0.04 0.25 0.16 1.49 0.56 0.00 0.00 179.97 182.40 1jc5 h GLU 108 N 0.39 0.00 -0.68 0.04 4.81 -0.58 0.16 114.58 118.72 1jc5 h GLU 108 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1jc5 h GLU 108 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1jc5 h GLU 108 CO -0.07 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 178.75 1jc5 n ARG 109 N -4.12 3.78 -1.84 1.92 1.74 -0.61 -4.90 116.66 112.64 1jc5 n ARG 109 Ca 0.02 -2.30 -0.09 0.00 -0.77 0.00 0.00 57.85 54.70 1jc5 n ARG 109 Cb 0.29 -2.03 -0.02 0.00 -1.02 0.00 0.00 32.46 29.69 1jc5 n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jc5 n GLY 110 N 0.52 0.40 3.75 -0.13 0.00 0.55 -5.01 105.19 105.26 1jc5 n GLY 110 Ca 0.20 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.41 4.70 -0.26 1.61 1.01 -0.06 -5.00 120.40 119.99 1jc5 s VAL 111 Ca 0.00 1.59 -0.09 0.00 0.00 0.00 0.00 61.98 63.49 1jc5 s VAL 111 Cb 0.00 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1jc5 s VAL 111 CO 0.00 0.40 0.11 -1.58 0.00 0.00 0.00 175.10 174.03 1jc5 s GLN 112 N -0.24 3.77 0.58 2.72 0.74 -1.26 -4.32 119.66 121.64 1jc5 s GLN 112 Ca 0.37 -0.42 0.06 0.00 0.05 0.00 0.00 55.36 55.43 1jc5 s GLN 112 Cb -0.21 -3.43 0.08 0.00 1.10 0.00 0.00 33.01 30.55 1jc5 s GLN 112 CO 0.23 -0.17 0.81 -0.51 -0.55 0.00 0.00 175.29 175.10 1jc5 s LEU 113 N 1.61 3.17 -0.19 3.68 1.43 -1.26 -3.39 118.68 123.72 1jc5 s LEU 113 Ca 0.06 -0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 52.51 1jc5 s LEU 113 Cb -0.15 -1.96 -0.22 0.00 0.03 0.00 0.00 46.19 43.90 1jc5 s LEU 113 CO 0.06 -1.37 0.08 -0.11 0.23 0.00 0.00 176.35 175.25 1jc5 n LEU 114 N -2.33 2.73 -4.73 1.79 0.00 -1.22 -4.73 117.00 108.50 1jc5 n LEU 114 Ca 0.14 0.08 -0.32 0.00 0.00 0.00 0.00 56.01 55.91 1jc5 n LEU 114 Cb 0.61 -1.02 -0.08 0.00 0.00 0.00 0.00 43.42 42.94 1jc5 n LEU 114 CO 0.41 0.86 -0.29 -0.31 0.00 0.00 0.00 177.39 178.05 1jc5 s TYR 115 N -2.53 3.15 0.30 1.96 2.02 -1.26 -4.99 117.35 116.00 1jc5 s TYR 115 Ca -0.29 0.10 0.05 0.00 -0.37 0.00 0.00 57.07 56.57 1jc5 s TYR 115 Cb 0.08 -1.66 0.48 0.00 -0.40 0.00 0.00 41.96 40.46 1jc5 s TYR 115 CO 0.68 0.50 1.74 -0.44 -1.57 0.00 0.00 175.55 176.47 1jc5 h ASP 116 N 3.90 0.36 -4.51 2.29 3.32 -2.01 -3.44 116.42 116.33 1jc5 h ASP 116 Ca -0.48 -0.12 -0.38 0.00 0.02 0.00 0.00 57.03 56.06 1jc5 h ASP 116 Cb 1.17 -0.10 -0.22 0.00 0.22 0.00 0.00 39.33 40.40 1jc5 h ASP 116 CO 0.61 0.64 -0.77 -1.61 -1.72 0.00 0.00 179.24 176.39 1jc5 s GLU 117 N -4.40 0.75 0.58 3.56 0.41 -1.26 -5.13 118.70 113.21 1jc5 s GLU 117 Ca -0.06 -0.85 -0.20 0.00 -0.41 0.00 0.00 54.97 53.45 1jc5 s GLU 117 Cb 0.14 -0.70 -0.04 0.00 -1.78 0.00 0.00 34.13 31.75 1jc5 s GLU 117 CO 0.77 0.16 1.23 -2.30 -0.49 0.00 0.00 175.26 174.63 1jc5 n PRO 118 N 1.46 1.35 -4.36 0.39 -0.02 -1.26 -4.95 135.00 127.62 1jc5 n PRO 118 Ca -0.21 0.51 -0.27 0.00 -2.02 0.00 0.00 63.50 61.51 1jc5 n PRO 118 Cb 0.54 -2.44 -0.11 0.00 -0.02 0.00 0.00 33.50 31.48 1jc5 n PRO 118 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1jc5 s LYS 119 N -2.92 1.75 0.34 -0.52 -0.14 0.16 -4.83 119.74 113.58 1jc5 s LYS 119 Ca 0.75 -1.37 -0.26 0.00 -1.36 0.00 0.00 55.97 53.72 1jc5 s LYS 119 Cb -0.42 -2.00 -0.09 0.00 -1.68 0.00 0.00 37.83 33.64 1jc5 s LYS 119 CO 0.47 0.43 1.05 -0.51 -0.76 0.00 0.00 175.35 176.02 1jc5 s LEU 120 N -2.63 4.34 0.00 3.17 1.43 -1.26 0.14 118.68 123.86 1jc5 s LEU 120 Ca 0.22 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 1jc5 s LEU 120 Cb -0.09 -3.94 0.00 0.00 0.03 0.00 0.00 46.19 42.20 1jc5 s LEU 120 CO 0.12 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.02 1jc5 n GLY 121 N 0.73 5.54 3.75 -3.19 0.00 0.62 -4.83 105.19 107.82 1jc5 n GLY 121 Ca 0.02 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 1jc5 n GLY 121 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jc5 n THR 122 N 0.00 1.41 -4.93 2.61 -1.04 -1.26 -4.39 114.28 106.69 1jc5 n THR 122 Ca 0.00 -0.35 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 1jc5 n THR 122 Cb 0.00 -1.95 0.00 0.00 -1.82 0.00 0.00 70.33 66.56 1jc5 n THR 122 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jc5 n GLY 123 N 1.48 0.80 0.86 3.41 0.00 -1.26 -1.81 105.19 108.68 1jc5 n GLY 123 Ca 0.06 -0.82 0.03 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 1.50 3.62 -0.02 0.00 -1.26 -4.94 105.19 104.08 1jc5 n GLY 124 Ca 0.00 -0.33 -0.46 0.00 0.00 0.00 0.00 46.02 45.23 1jc5 n GLY 124 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jc5 n ASN 125 N 0.26 1.89 -4.48 1.61 3.02 -0.75 -4.13 115.26 112.69 1jc5 n ASN 125 Ca 0.10 1.16 -0.39 0.00 -0.03 0.00 0.00 54.58 55.42 1jc5 n ASN 125 Cb 0.49 -1.33 -0.11 0.00 -0.61 0.00 0.00 39.78 38.22 1jc5 n ASN 125 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1jc5 s ARG 126 N -0.87 3.48 0.43 3.52 0.52 -0.53 -0.28 118.95 125.22 1jc5 s ARG 126 Ca 0.66 -0.63 0.05 0.00 -0.52 0.00 0.00 55.73 55.29 1jc5 s ARG 126 Cb -0.72 -3.60 -0.06 0.00 0.52 0.00 0.00 34.95 31.09 1jc5 s ARG 126 CO 0.55 -0.37 0.02 0.96 0.02 0.00 0.00 175.30 176.47 1jc5 s ILE 127 N 1.65 1.68 0.01 1.52 -4.36 0.36 -1.51 121.20 120.56 1jc5 s ILE 127 Ca 0.05 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.16 1jc5 s ILE 127 Cb -0.17 -2.75 0.10 0.00 1.25 0.00 0.00 42.46 40.89 1jc5 s ILE 127 CO 0.07 0.00 1.03 0.21 0.24 0.00 0.00 174.94 176.49 1jc5 s ASN 128 N -3.73 -0.22 0.00 4.36 3.84 -0.93 0.40 114.94 118.67 1jc5 s ASN 128 Ca 0.27 -0.15 0.00 0.00 0.21 0.00 0.00 52.86 53.19 1jc5 s ASN 128 Cb 0.08 0.34 0.00 0.00 -0.55 0.00 0.00 41.25 41.12 1jc5 s ASN 128 CO 0.14 -0.59 0.00 0.49 -2.79 0.00 0.00 177.10 174.34 1jc5 n PHE 129 N -0.33 0.00 -4.05 0.43 3.01 -1.26 0.63 117.46 115.89 1jc5 n PHE 129 Ca -0.06 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.29 1jc5 n PHE 129 Cb 0.61 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.97 1jc5 n PHE 129 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1jc5 s MET 130 N 0.27 0.49 0.33 -1.08 -1.94 -0.74 -3.42 119.30 113.21 1jc5 s MET 130 Ca 0.00 -0.82 -0.29 0.00 -1.71 0.00 0.00 55.69 52.87 1jc5 s MET 130 Cb 0.00 -0.07 -0.10 0.00 2.01 0.00 0.00 34.83 36.67 1jc5 s MET 130 CO 0.00 -0.01 1.29 -1.01 -0.01 0.00 0.00 175.02 175.27 1jc5 s HIS 131 N -1.97 3.09 0.65 -0.03 3.76 -1.22 -4.38 115.29 115.18 1jc5 s HIS 131 Ca -0.08 1.44 0.31 0.00 -0.15 0.00 0.00 55.06 56.58 1jc5 s HIS 131 Cb -0.06 -3.64 1.65 0.00 1.11 0.00 0.00 32.58 31.64 1jc5 s HIS 131 CO -0.02 -1.74 1.96 -1.35 -0.85 0.00 0.00 174.74 172.74 1jc5 h PRO 132 N 3.38 0.00 0.18 8.40 0.11 -1.94 0.33 132.00 142.46 1jc5 h PRO 132 Ca -0.49 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.31 1jc5 h PRO 132 Cb 1.23 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.35 1jc5 h PRO 132 CO 0.65 0.00 -1.54 -0.22 -0.21 0.00 0.00 178.00 176.69 1jc5 h LYS 133 N 0.00 0.38 0.00 1.05 3.11 -1.89 0.23 116.57 119.45 1jc5 h LYS 133 Ca 0.05 -0.66 0.00 0.00 -2.81 0.00 0.00 60.65 57.23 1jc5 h LYS 133 Cb 0.70 0.24 0.00 0.00 -1.00 0.00 0.00 32.23 32.18 1jc5 h LYS 133 CO -0.00 1.31 0.00 0.43 -2.81 0.00 0.00 179.45 178.38 1jc5 n SER 134 N -3.75 0.00 -0.47 4.20 7.64 0.10 -0.77 113.62 120.58 1jc5 n SER 134 Ca -0.22 0.08 0.07 0.00 1.01 0.00 0.00 58.87 59.81 1jc5 n SER 134 Cb 1.02 -0.24 0.18 0.00 -1.01 0.00 0.00 64.21 64.16 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 -0.46 4.84 4.31 0.23 0.00 -0.50 -4.87 105.19 108.73 1jc5 n GLY 135 Ca 0.05 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.18 -1.61 0.00 1.61 4.01 0.05 0.42 118.16 121.46 1jc5 n LYS 136 Ca 0.20 0.20 0.00 0.00 -0.51 0.00 0.00 58.31 58.20 1jc5 n LYS 136 Cb 0.74 -4.29 0.00 0.00 -0.51 0.00 0.00 35.03 30.97 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 -1.88 3.11 3.66 0.72 0.00 0.07 -5.03 105.19 105.82 1jc5 n GLY 137 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.80 4.43 -0.20 1.61 1.01 0.17 -4.95 120.40 119.68 1jc5 s VAL 138 Ca 0.00 -0.19 -0.24 0.00 0.00 0.00 0.00 61.98 61.55 1jc5 s VAL 138 Cb 0.00 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 1jc5 s VAL 138 CO 0.00 0.56 0.80 -0.22 0.00 0.00 0.00 175.10 176.24 1jc5 s LEU 139 N -0.45 4.14 -0.15 3.92 2.96 -1.26 -3.88 118.68 123.95 1jc5 s LEU 139 Ca 0.09 1.08 0.01 0.00 -0.22 0.00 0.00 54.13 55.08 1jc5 s LEU 139 Cb -0.12 -3.17 0.01 0.00 0.50 0.00 0.00 46.19 43.41 1jc5 s LEU 139 CO 0.02 -0.42 -0.18 -0.63 -1.32 0.00 0.00 176.35 173.82 1jc5 s ILE 140 N 2.35 2.34 0.03 6.68 1.01 -1.26 -2.90 121.20 129.44 1jc5 s ILE 140 Ca 0.36 -0.88 -0.08 0.00 0.00 0.00 0.00 60.65 60.05 1jc5 s ILE 140 Cb -0.16 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 1jc5 s ILE 140 CO 0.10 0.53 0.31 -0.70 0.00 0.00 0.00 174.94 175.19 1jc5 s GLU 141 N 0.91 3.65 -0.11 2.79 2.12 0.94 -1.78 118.70 127.22 1jc5 s GLU 141 Ca -0.04 0.02 -0.04 0.00 0.36 0.00 0.00 54.97 55.26 1jc5 s GLU 141 Cb -0.15 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 1jc5 s GLU 141 CO -0.03 0.62 0.06 -0.51 -0.54 0.00 0.00 175.26 174.87 1jc5 s LEU 142 N -1.78 3.94 -0.15 2.70 1.02 0.20 -0.42 118.68 124.19 1jc5 s LEU 142 Ca 0.29 0.28 -0.07 0.00 0.02 0.00 0.00 54.13 54.64 1jc5 s LEU 142 Cb -0.14 -1.93 0.06 0.00 0.02 0.00 0.00 46.19 44.20 1jc5 s LEU 142 CO 0.17 0.38 0.34 0.28 0.02 0.00 0.00 176.35 177.54 1jc5 s THR 143 N -0.85 -0.17 -0.15 5.49 -1.32 -0.48 -2.18 115.64 115.98 1jc5 s THR 143 Ca 0.13 0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.76 1jc5 s THR 143 Cb -0.12 -0.53 -0.01 0.00 -1.51 0.00 0.00 72.50 70.34 1jc5 s THR 143 CO 0.03 0.06 -0.15 -1.58 -2.21 0.00 0.00 174.62 170.77 1jc5 s GLN 144 N 1.66 3.26 0.50 7.08 0.74 -0.57 -0.96 119.66 131.37 1jc5 s GLN 144 Ca -0.07 -0.73 -0.23 0.00 0.05 0.00 0.00 55.36 54.38 1jc5 s GLN 144 Cb -0.10 -2.62 -0.06 0.00 1.10 0.00 0.00 33.01 31.32 1jc5 s GLN 144 CO -0.11 0.07 1.32 0.71 -0.55 0.00 0.00 175.29 176.73 1jc5 s TYR 145 N 0.68 2.49 0.37 1.67 1.51 -1.26 -1.45 117.35 121.36 1jc5 s TYR 145 Ca -0.07 1.40 -0.25 0.00 -1.01 0.00 0.00 57.07 57.14 1jc5 s TYR 145 Cb -0.16 -3.70 -0.12 0.00 -0.11 0.00 0.00 41.96 37.87 1jc5 s TYR 145 CO 0.02 -2.51 0.96 -0.35 -1.11 0.00 0.00 175.55 172.57 1jc5 n PRO 146 N -0.70 1.28 -0.79 -1.71 -0.04 -1.26 -4.82 135.00 126.95 1jc5 n PRO 146 Ca 0.08 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 1jc5 n PRO 146 Cb 0.45 -1.91 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 1jc5 n PRO 146 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63