#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 6.95 0.06 4.31 1.01 -1.26 -4.92 116.67 122.82 1jc5 s ASP 5 Ca 0.00 2.25 0.22 0.00 0.71 0.00 0.00 52.55 55.74 1jc5 s ASP 5 Cb 0.00 -2.59 -0.11 0.00 1.01 0.00 0.00 42.92 41.22 1jc5 s ASP 5 CO 0.00 -0.53 0.83 0.18 0.21 0.00 0.00 175.17 175.87 1jc5 n LEU 6 N 3.35 0.48 -4.20 1.23 4.77 -1.26 -4.92 117.00 116.46 1jc5 n LEU 6 Ca 0.08 0.06 -0.30 0.00 -0.03 0.00 0.00 56.01 55.82 1jc5 n LEU 6 Cb 0.44 -0.05 -0.17 0.00 -2.33 0.00 0.00 43.42 41.31 1jc5 n LEU 6 CO 0.57 -0.02 -0.54 -0.36 -1.33 0.00 0.00 177.39 175.71 1jc5 s PHE 7 N -3.34 2.22 0.08 -1.77 0.08 -1.26 -4.60 117.98 109.37 1jc5 s PHE 7 Ca -0.01 -0.77 -0.14 0.00 0.12 0.00 0.00 56.93 56.13 1jc5 s PHE 7 Cb 0.13 -1.48 -0.21 0.00 -0.57 0.00 0.00 43.02 40.88 1jc5 s PHE 7 CO 0.84 -0.28 1.21 0.82 -0.10 0.00 0.00 175.22 177.71 1jc5 h ILE 8 N 5.43 1.29 0.00 0.64 2.04 -1.53 -3.49 117.51 121.88 1jc5 h ILE 8 Ca -0.27 -2.15 0.00 0.00 1.00 0.00 0.00 64.86 63.43 1jc5 h ILE 8 Cb 1.20 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 39.57 1jc5 h ILE 8 CO 0.47 0.67 0.00 0.00 0.00 0.00 0.00 178.15 179.29 1jc5 s ILE 10 N -2.00 4.12 -0.00 0.00 1.01 -1.26 -1.19 121.20 121.88 1jc5 s ILE 10 Ca 0.00 1.28 -0.25 0.00 0.00 0.00 0.00 60.65 61.69 1jc5 s ILE 10 Cb 0.00 -4.06 -0.18 0.00 0.01 0.00 0.00 42.46 38.23 1jc5 s ILE 10 CO 0.00 -0.37 1.27 -0.78 0.00 0.00 0.00 174.94 175.06 1jc5 h ASP 11 N 9.20 -0.16 -5.06 3.58 3.58 0.09 -3.38 116.42 124.27 1jc5 h ASP 11 Ca -0.27 -0.30 -0.04 0.00 0.42 0.00 0.00 57.03 56.84 1jc5 h ASP 11 Cb 1.11 0.04 -0.12 0.00 1.72 0.00 0.00 39.33 42.07 1jc5 h ASP 11 CO 1.01 0.24 0.01 -1.38 -2.88 0.00 0.00 179.24 176.24 1jc5 s HIS 12 N -4.54 -0.27 -0.24 0.28 -3.43 -1.12 -1.80 115.29 104.17 1jc5 s HIS 12 Ca -0.15 -0.03 -0.05 0.00 -0.80 0.00 0.00 55.06 54.03 1jc5 s HIS 12 Cb 0.02 0.35 -0.01 0.00 -1.43 0.00 0.00 32.58 31.52 1jc5 s HIS 12 CO 0.60 -0.77 0.00 0.08 -2.00 0.00 0.00 174.74 172.65 1jc5 s VAL 13 N -3.80 3.65 -0.11 -5.38 1.01 -0.16 -1.10 120.40 114.50 1jc5 s VAL 13 Ca 0.04 -0.51 -0.25 0.00 0.00 0.00 0.00 61.98 61.26 1jc5 s VAL 13 Cb 0.01 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1jc5 s VAL 13 CO -0.11 0.32 0.77 0.00 0.00 0.00 0.00 175.10 176.08 1jc5 s ALA 14 N 1.50 3.40 -0.23 5.51 0.00 0.59 -0.67 121.76 131.87 1jc5 s ALA 14 Ca 0.05 0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 1jc5 s ALA 14 Cb -0.15 -3.10 0.03 0.00 0.00 0.00 0.00 23.12 19.90 1jc5 s ALA 14 CO -0.01 -0.36 -0.10 -0.47 0.00 0.00 0.00 175.76 174.82 1jc5 s TYR 15 N 1.42 3.01 -0.05 0.00 5.04 0.58 0.29 117.35 127.64 1jc5 s TYR 15 Ca 0.38 -1.62 -0.16 0.00 -2.44 0.00 0.00 57.07 53.23 1jc5 s TYR 15 Cb -0.17 -2.01 -0.05 0.00 0.35 0.00 0.00 41.96 40.07 1jc5 s TYR 15 CO 0.16 -0.75 0.44 0.00 -1.34 0.00 0.00 175.55 174.06 1jc5 s ALA 16 N 1.30 3.59 0.26 3.97 0.00 -0.84 -0.66 121.76 129.38 1jc5 s ALA 16 Ca 0.01 -0.20 -0.10 0.00 0.00 0.00 0.00 51.96 51.66 1jc5 s ALA 16 Cb -0.16 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.44 1jc5 s ALA 16 CO -0.07 0.26 0.45 0.00 0.00 0.00 0.00 175.76 176.40 1jc5 h PRO 18 N 2.27 0.16 -3.17 0.00 0.11 -1.90 -3.36 132.00 126.11 1jc5 h PRO 18 Ca -0.28 -0.17 -0.58 0.00 0.11 0.00 0.00 66.00 65.08 1jc5 h PRO 18 Cb 1.25 0.05 -0.40 0.00 0.11 0.00 0.00 31.00 32.01 1jc5 h PRO 18 CO 0.38 0.92 -0.77 0.34 -0.21 0.00 0.00 178.00 178.66 1jc5 s ASP 19 N -6.90 3.71 0.20 -2.05 -1.08 -1.26 -4.48 116.67 104.82 1jc5 s ASP 19 Ca -0.02 -1.94 -0.11 0.00 -0.52 0.00 0.00 52.55 49.96 1jc5 s ASP 19 Cb 0.10 -0.78 0.25 0.00 -1.46 0.00 0.00 42.92 41.03 1jc5 s ASP 19 CO 0.82 -0.36 1.73 0.00 0.52 0.00 0.00 175.17 177.88 1jc5 h ALA 20 N 7.60 0.69 -0.77 3.66 0.00 -1.88 -1.70 119.26 126.87 1jc5 h ALA 20 Ca -0.08 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jc5 h ALA 20 Cb 0.98 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1jc5 h ALA 20 CO 0.44 -0.25 0.49 -0.44 0.00 0.00 0.00 179.25 179.49 1jc5 h ASP 21 N 0.32 0.89 -0.34 0.00 3.32 -1.96 0.87 116.42 119.52 1jc5 h ASP 21 Ca 0.29 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 1jc5 h ASP 21 Cb 0.37 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1jc5 h ASP 21 CO -0.32 0.66 0.10 -0.08 -1.72 0.00 0.00 179.24 177.88 1jc5 h GLU 22 N 1.05 0.54 -0.54 3.56 4.81 -1.78 -1.92 114.58 120.30 1jc5 h GLU 22 Ca 0.28 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1jc5 h GLU 22 Cb -0.10 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1jc5 h GLU 22 CO -0.06 0.57 0.16 0.00 -0.73 0.00 0.00 179.01 178.95 1jc5 h ALA 23 N 0.94 0.70 -0.65 2.92 0.00 -0.68 -2.24 119.26 120.26 1jc5 h ALA 23 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1jc5 h ALA 23 Cb 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1jc5 h ALA 23 CO -0.00 0.37 0.42 1.03 0.00 0.00 0.00 179.25 181.07 1jc5 h SER 24 N 0.74 0.76 -0.37 0.00 0.87 -0.70 -0.81 113.55 114.04 1jc5 h SER 24 Ca 0.17 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 1jc5 h SER 24 Cb 0.29 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1jc5 h SER 24 CO -0.00 0.56 0.17 0.11 -0.53 0.00 0.00 176.83 177.14 1jc5 h LYS 25 N 0.88 0.53 -0.42 2.24 1.79 -1.21 -1.33 116.57 119.06 1jc5 h LYS 25 Ca 0.24 -0.08 0.04 0.00 -2.18 0.00 0.00 60.65 58.67 1jc5 h LYS 25 Cb -0.08 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.44 1jc5 h LYS 25 CO -0.05 0.48 0.18 -0.92 -1.08 0.00 0.00 179.45 178.06 1jc5 h TYR 26 N 0.45 0.32 -0.40 -1.35 3.20 -1.02 -0.11 116.97 118.06 1jc5 h TYR 26 Ca 0.12 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.04 1jc5 h TYR 26 Cb 0.13 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 1jc5 h TYR 26 CO -0.01 0.14 0.21 1.88 -1.64 0.00 0.00 178.16 178.74 1jc5 h TYR 27 N 0.36 0.39 0.27 -3.82 -1.99 -0.86 0.26 116.97 111.57 1jc5 h TYR 27 Ca 0.19 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.92 1jc5 h TYR 27 Cb 0.14 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 38.76 1jc5 h TYR 27 CO -0.13 0.21 -0.13 1.96 -0.00 0.00 0.00 178.16 180.07 1jc5 h GLN 28 N 0.42 -0.34 -0.36 4.88 4.20 -0.94 0.19 115.11 123.16 1jc5 h GLN 28 Ca 0.17 0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.80 1jc5 h GLN 28 Cb 0.06 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1jc5 h GLN 28 CO -0.11 -0.02 -0.17 0.93 -0.67 0.00 0.00 178.83 178.79 1jc5 h GLU 29 N -0.71 0.75 0.08 1.46 5.08 -0.99 -0.90 114.58 119.35 1jc5 h GLU 29 Ca -0.04 -0.33 -0.35 0.00 -1.00 0.00 0.00 59.36 57.65 1jc5 h GLU 29 Cb 0.49 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1jc5 h GLU 29 CO 0.06 0.94 -1.93 2.41 -1.00 0.00 0.00 179.01 179.49 1jc5 n THR 30 N -4.30 1.70 0.80 1.13 -1.04 0.91 -4.49 114.28 108.99 1jc5 n THR 30 Ca -0.02 -0.52 0.11 0.00 -2.04 0.00 0.00 64.05 61.58 1jc5 n THR 30 Cb 0.41 -1.77 -0.05 0.00 -1.82 0.00 0.00 70.33 67.10 1jc5 n THR 30 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1jc5 n PHE 31 N -3.67 0.05 -2.05 -1.42 3.72 -0.50 -4.99 117.46 108.59 1jc5 n PHE 31 Ca -0.34 0.01 -0.12 0.00 -0.05 0.00 0.00 57.45 56.95 1jc5 n PHE 31 Cb 0.97 -0.17 -0.01 0.00 -0.94 0.00 0.00 39.48 39.32 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 1.45 0.15 3.94 1.37 0.00 0.55 -4.95 105.19 107.71 1jc5 n GLY 32 Ca 0.03 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.56 2.64 -0.07 1.61 0.52 -0.71 -4.86 118.94 115.52 1jc5 s TRP 33 Ca 0.00 0.27 0.05 0.00 0.02 0.00 0.00 56.10 56.44 1jc5 s TRP 33 Cb 0.00 -3.18 -0.00 0.00 -1.15 0.00 0.00 33.47 29.14 1jc5 s TRP 33 CO 0.00 -1.46 -0.22 -1.01 0.02 0.00 0.00 176.95 174.28 1jc5 s HIS 34 N -3.21 2.22 -0.18 -1.98 3.76 0.11 -3.99 115.29 112.03 1jc5 s HIS 34 Ca 0.62 -0.74 -0.29 0.00 -0.15 0.00 0.00 55.06 54.49 1jc5 s HIS 34 Cb -0.09 -1.48 -0.00 0.00 1.11 0.00 0.00 32.58 32.11 1jc5 s HIS 34 CO 0.44 -0.26 1.05 -2.00 -0.85 0.00 0.00 174.74 173.12 1jc5 s GLU 35 N 0.08 4.31 -0.08 1.40 2.12 -1.26 -0.72 118.70 124.55 1jc5 s GLU 35 Ca -0.09 1.40 0.16 0.00 0.36 0.00 0.00 54.97 56.81 1jc5 s GLU 35 Cb -0.14 -3.61 -0.24 0.00 0.26 0.00 0.00 34.13 30.39 1jc5 s GLU 35 CO 0.05 -0.53 0.25 1.28 -0.54 0.00 0.00 175.26 175.77 1jc5 n LEU 36 N 5.88 0.00 -3.56 2.70 4.77 0.70 -4.99 117.00 122.51 1jc5 n LEU 36 Ca 0.11 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.94 1jc5 n LEU 36 Cb 0.47 0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.66 1jc5 n LEU 36 CO 0.52 0.17 0.51 -2.28 -1.33 0.00 0.00 177.39 174.98 1jc5 s HIS 37 N -2.88 -0.63 -0.02 -1.77 5.04 -1.21 -4.99 115.29 108.83 1jc5 s HIS 37 Ca -0.07 1.22 0.00 0.00 -1.54 0.00 0.00 55.06 54.67 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 0.71 -0.50 0.00 0.50 -2.34 0.00 0.00 174.74 173.11 1jc5 s ARG 38 N -0.77 0.16 -0.04 2.88 3.52 -1.26 -0.12 118.95 123.33 1jc5 s ARG 38 Ca -0.06 0.05 -0.08 0.00 -0.13 0.00 0.00 55.73 55.51 1jc5 s ARG 38 Cb -0.01 -0.30 0.01 0.00 -1.56 0.00 0.00 34.95 33.09 1jc5 s ARG 38 CO 0.06 -0.08 0.18 -2.00 -0.81 0.00 0.00 175.30 172.65 1jc5 s GLU 39 N 0.65 0.37 -0.06 5.12 2.12 0.22 -5.01 118.70 122.10 1jc5 s GLU 39 Ca -0.06 -0.04 0.04 0.00 0.36 0.00 0.00 54.97 55.27 1jc5 s GLU 39 Cb -0.09 0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.46 1jc5 s GLU 39 CO -0.01 -0.07 -0.19 -1.21 -0.54 0.00 0.00 175.26 173.23 1jc5 s GLU 40 N -0.61 2.18 -0.55 4.30 2.02 -1.26 -0.91 118.70 123.87 1jc5 s GLU 40 Ca -0.07 -0.67 0.04 0.00 0.02 0.00 0.00 54.97 54.29 1jc5 s GLU 40 Cb -0.04 -1.79 0.14 0.00 0.10 0.00 0.00 34.13 32.54 1jc5 s GLU 40 CO 0.01 0.20 0.31 1.21 0.02 0.00 0.00 175.26 177.00 1jc5 s ASN 41 N 0.23 4.29 0.65 -0.19 3.84 -0.74 -4.95 114.94 118.09 1jc5 s ASN 41 Ca -0.10 -3.14 0.41 0.00 0.21 0.00 0.00 52.86 50.23 1jc5 s ASN 41 Cb -0.14 -1.55 2.25 0.00 -0.55 0.00 0.00 41.25 41.25 1jc5 s ASN 41 CO 0.04 -0.20 2.31 1.55 -2.79 0.00 0.00 177.10 178.01 1jc5 h PRO 42 N 6.28 0.00 -0.23 0.43 0.13 -1.96 0.47 132.00 137.13 1jc5 h PRO 42 Ca -0.02 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.96 1jc5 h PRO 42 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 1jc5 h PRO 42 CO 0.67 0.00 -0.46 0.93 -0.23 0.00 0.00 178.00 178.90 1jc5 h GLU 43 N 0.00 0.59 0.00 0.86 4.39 -1.95 -2.84 114.58 115.63 1jc5 h GLU 43 Ca 0.00 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1jc5 h GLU 43 Cb 0.07 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1jc5 h GLU 43 CO -0.00 0.93 -0.84 1.04 -1.16 0.00 0.00 179.01 178.98 1jc5 n GLN 44 N -4.00 0.23 -2.92 2.33 6.02 -0.55 -4.97 117.38 113.52 1jc5 n GLN 44 Ca -0.02 0.02 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1jc5 n GLN 44 Cb 0.56 -1.60 0.05 0.00 1.02 0.00 0.00 30.24 30.26 1jc5 n GLN 44 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jc5 n GLY 45 N 1.39 0.07 3.08 1.08 0.00 0.05 -4.55 105.19 106.30 1jc5 n GLY 45 Ca 0.03 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.18 -0.00 -0.04 1.61 1.01 -1.09 0.07 120.40 118.76 1jc5 s VAL 46 Ca 0.14 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1jc5 s VAL 46 Cb -0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 1jc5 s VAL 46 CO 0.39 0.01 -0.03 0.54 0.00 0.00 0.00 175.10 176.01 1jc5 s VAL 47 N 0.19 4.01 -0.03 2.92 0.11 -0.37 -1.78 120.40 125.45 1jc5 s VAL 47 Ca -0.01 -0.48 0.01 0.00 -2.93 0.00 0.00 61.98 58.57 1jc5 s VAL 47 Cb -0.02 -2.71 0.01 0.00 -1.53 0.00 0.00 36.38 32.13 1jc5 s VAL 47 CO -0.00 0.51 -0.05 -1.61 -3.33 0.00 0.00 175.10 170.62 1jc5 s GLU 48 N -1.13 0.66 -0.09 1.54 2.02 -0.09 -1.89 118.70 119.72 1jc5 s GLU 48 Ca 0.15 -0.14 0.01 0.00 0.02 0.00 0.00 54.97 55.02 1jc5 s GLU 48 Cb -0.11 -0.67 0.02 0.00 0.10 0.00 0.00 34.13 33.47 1jc5 s GLU 48 CO 0.05 0.00 -0.12 0.42 0.02 0.00 0.00 175.26 175.63 1jc5 s ILE 49 N 0.50 1.21 -0.17 -1.63 1.01 0.32 -0.61 121.20 121.84 1jc5 s ILE 49 Ca -0.06 -0.47 -0.19 0.00 0.00 0.00 0.00 60.65 59.93 1jc5 s ILE 49 Cb -0.10 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 1jc5 s ILE 49 CO -0.00 0.38 0.52 -0.04 0.00 0.00 0.00 174.94 175.80 1jc5 s MET 50 N 1.05 4.25 0.05 2.79 -1.94 0.83 -0.03 119.30 126.30 1jc5 s MET 50 Ca -0.07 0.46 0.08 0.00 -1.71 0.00 0.00 55.69 54.45 1jc5 s MET 50 Cb -0.15 -3.52 -0.03 0.00 2.01 0.00 0.00 34.83 33.14 1jc5 s MET 50 CO -0.01 -0.05 -0.20 -1.64 -0.01 0.00 0.00 175.02 173.10 1jc5 s MET 51 N 1.31 1.98 0.04 2.03 -1.94 0.40 -0.21 119.30 122.91 1jc5 s MET 51 Ca 0.26 -1.03 0.01 0.00 -1.71 0.00 0.00 55.69 53.22 1jc5 s MET 51 Cb -0.15 -2.13 -0.02 0.00 2.01 0.00 0.00 34.83 34.53 1jc5 s MET 51 CO 0.10 0.53 -0.06 0.00 -0.01 0.00 0.00 175.02 175.58 1jc5 s ALA 52 N -0.90 0.47 -0.70 3.03 0.00 0.10 -0.76 121.76 123.00 1jc5 s ALA 52 Ca 0.14 -0.78 0.21 0.00 0.00 0.00 0.00 51.96 51.53 1jc5 s ALA 52 Cb -0.10 0.09 0.86 0.00 0.00 0.00 0.00 23.12 23.97 1jc5 s ALA 52 CO 0.05 -0.09 1.65 -0.35 0.00 0.00 0.00 175.76 177.01 1jc5 n PRO 53 N 1.33 0.13 -4.09 0.00 -0.04 -1.26 0.06 135.00 131.11 1jc5 n PRO 53 Ca -0.22 0.32 -0.11 0.00 -0.04 0.00 0.00 63.50 63.45 1jc5 n PRO 53 Cb 0.55 -1.72 -0.11 0.00 -0.04 0.00 0.00 33.50 32.19 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 -3.18 0.66 0.34 0.55 0.00 -1.26 -4.78 121.76 114.09 1jc5 s ALA 54 Ca 0.06 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.08 1jc5 s ALA 54 Cb 0.10 0.12 0.62 0.00 0.00 0.00 0.00 23.12 23.96 1jc5 s ALA 54 CO 0.38 -0.15 1.86 0.00 0.00 0.00 0.00 175.76 177.85 1jc5 h ALA 55 N 3.83 1.36 -3.26 0.00 0.00 -1.94 -3.41 119.26 115.84 1jc5 h ALA 55 Ca -0.35 -0.23 -0.65 0.00 0.00 0.00 0.00 54.91 53.68 1jc5 h ALA 55 Cb 1.18 -0.13 -0.26 0.00 0.00 0.00 0.00 17.79 18.58 1jc5 h ALA 55 CO 0.52 0.44 -0.74 0.15 0.00 0.00 0.00 179.25 179.61 1jc5 s LYS 56 N -4.83 3.42 0.20 0.00 -0.14 -1.26 -5.05 119.74 112.08 1jc5 s LYS 56 Ca -0.07 -0.65 -0.29 0.00 -1.36 0.00 0.00 55.97 53.59 1jc5 s LYS 56 Cb 0.15 -2.74 -0.08 0.00 -1.68 0.00 0.00 37.83 33.49 1jc5 s LYS 56 CO 0.76 0.14 0.92 -0.51 -0.76 0.00 0.00 175.35 175.91 1jc5 s LEU 57 N 0.55 4.61 0.38 3.17 1.43 -1.26 -5.05 118.68 122.50 1jc5 s LEU 57 Ca -0.07 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.91 1jc5 s LEU 57 Cb -0.15 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1jc5 s LEU 57 CO 0.03 0.11 0.58 0.42 0.23 0.00 0.00 176.35 177.73 1jc5 s THR 58 N -0.89 4.80 0.33 5.49 -4.23 -1.26 -4.99 115.64 114.90 1jc5 s THR 58 Ca 0.42 -0.46 0.11 0.00 -1.18 0.00 0.00 61.69 60.57 1jc5 s THR 58 Cb -0.25 -3.76 0.34 0.00 1.34 0.00 0.00 72.50 70.17 1jc5 s THR 58 CO 0.31 -0.51 1.63 -0.08 -0.54 0.00 0.00 174.62 175.43 1jc5 h GLU 59 N 0.65 0.17 -0.27 3.99 4.81 -2.05 -1.45 114.58 120.42 1jc5 h GLU 59 Ca -0.49 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 1jc5 h GLU 59 Cb 1.23 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1jc5 h GLU 59 CO 0.60 0.11 -0.00 0.72 -0.73 0.00 0.00 179.01 179.71 1jc5 n HIS 60 N -5.21 0.94 -2.32 0.92 8.25 -1.26 -5.00 115.22 111.53 1jc5 n HIS 60 Ca 0.29 -0.99 -0.43 0.00 -0.26 0.00 0.00 57.72 56.33 1jc5 n HIS 60 Cb 0.94 -0.34 -0.02 0.00 1.12 0.00 0.00 29.99 31.69 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 -2.90 3.95 0.24 -0.41 0.00 -0.55 -4.84 119.30 114.79 1jc5 s MET 61 Ca 0.42 1.47 -0.30 0.00 0.00 0.00 0.00 55.69 57.28 1jc5 s MET 61 Cb 0.35 -3.91 -0.09 0.00 0.00 0.00 0.00 34.83 31.18 1jc5 s MET 61 CO 0.07 -1.09 1.07 0.99 0.00 0.00 0.00 175.02 176.07 1jc5 s THR 62 N 4.44 3.71 0.35 10.11 2.01 -1.26 -4.86 115.64 130.14 1jc5 s THR 62 Ca 0.61 1.64 0.08 0.00 0.31 0.00 0.00 61.69 64.33 1jc5 s THR 62 Cb -0.20 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 1jc5 s THR 62 CO 0.24 0.36 0.24 -1.10 -0.69 0.00 0.00 174.62 173.66 1jc5 s GLN 63 N -1.05 2.55 -0.17 4.92 -0.21 -0.75 -4.75 119.66 120.21 1jc5 s GLN 63 Ca 0.45 -1.43 -0.04 0.00 0.02 0.00 0.00 55.36 54.36 1jc5 s GLN 63 Cb -0.30 -2.33 -0.02 0.00 1.00 0.00 0.00 33.01 31.35 1jc5 s GLN 63 CO 0.37 0.07 -0.04 0.08 -2.12 0.00 0.00 175.29 173.65 1jc5 s VAL 64 N -2.38 3.74 -0.34 1.09 1.01 0.06 -0.99 120.40 122.59 1jc5 s VAL 64 Ca 0.40 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 1jc5 s VAL 64 Cb -0.04 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 1jc5 s VAL 64 CO 0.25 0.47 0.22 -1.58 0.00 0.00 0.00 175.10 174.46 1jc5 s GLN 65 N 0.65 3.38 -0.26 2.72 0.74 0.16 -0.45 119.66 126.60 1jc5 s GLN 65 Ca -0.02 -0.72 -0.22 0.00 0.05 0.00 0.00 55.36 54.45 1jc5 s GLN 65 Cb -0.14 -3.75 -0.01 0.00 1.10 0.00 0.00 33.01 30.20 1jc5 s GLN 65 CO 0.02 -0.47 0.70 0.08 -0.55 0.00 0.00 175.29 175.07 1jc5 s VAL 66 N 1.68 4.92 -0.07 1.34 1.01 0.96 -0.30 120.40 129.94 1jc5 s VAL 66 Ca 0.05 1.23 0.04 0.00 0.00 0.00 0.00 61.98 63.31 1jc5 s VAL 66 Cb -0.18 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 1jc5 s VAL 66 CO 0.09 -0.04 -0.21 0.00 0.00 0.00 0.00 175.10 174.94 1jc5 s MET 67 N 2.65 2.36 0.06 2.72 0.23 0.16 -0.52 119.30 126.95 1jc5 s MET 67 Ca 0.29 -0.75 0.03 0.00 -1.03 0.00 0.00 55.69 54.24 1jc5 s MET 67 Cb -0.15 -1.93 -0.03 0.00 -1.53 0.00 0.00 34.83 31.20 1jc5 s MET 67 CO 0.09 0.24 -0.10 0.00 -2.03 0.00 0.00 175.02 173.21 1jc5 s ALA 68 N 0.15 0.81 0.41 3.16 0.00 -0.79 -0.94 121.76 124.56 1jc5 s ALA 68 Ca -0.10 -0.88 -0.24 0.00 0.00 0.00 0.00 51.96 50.74 1jc5 s ALA 68 Cb -0.15 -0.00 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 1jc5 s ALA 68 CO 0.05 0.04 1.10 -1.25 0.00 0.00 0.00 175.76 175.70 1jc5 s PRO 69 N -1.74 4.06 -0.22 0.00 0.04 -1.26 -1.23 135.00 134.64 1jc5 s PRO 69 Ca -0.06 1.64 -0.08 0.00 0.04 0.00 0.00 61.00 62.54 1jc5 s PRO 69 Cb -0.09 -2.55 -0.18 0.00 0.04 0.00 0.00 34.50 31.71 1jc5 s PRO 69 CO 0.01 -0.27 -0.04 -0.11 0.04 0.00 0.00 177.00 176.63 1jc5 n LEU 70 N -0.11 2.45 -4.38 -3.56 7.94 0.11 -4.78 117.00 114.66 1jc5 n LEU 70 Ca 0.05 0.16 -0.20 0.00 -1.11 0.00 0.00 56.01 54.91 1jc5 n LEU 70 Cb 0.48 -0.95 -0.10 0.00 0.53 0.00 0.00 43.42 43.38 1jc5 n LEU 70 CO 0.47 0.71 -0.46 0.54 -1.11 0.00 0.00 177.39 177.55 1jc5 s ASN 71 N -6.96 2.90 0.00 1.96 2.20 -1.24 -5.00 114.94 108.80 1jc5 s ASN 71 Ca -0.32 -1.01 0.00 0.00 -0.94 0.00 0.00 52.86 50.59 1jc5 s ASN 71 Cb 0.09 -0.19 0.00 0.00 -2.00 0.00 0.00 41.25 39.16 1jc5 s ASN 71 CO 0.61 -0.09 0.52 0.47 -2.94 0.00 0.00 177.10 175.67 1jc5 n ASP 72 N -0.39 0.58 -0.20 3.54 8.00 -1.26 -2.70 116.55 124.12 1jc5 n ASP 72 Ca -0.08 -1.62 0.03 0.00 0.71 0.00 0.00 54.79 53.84 1jc5 n ASP 72 Cb 0.60 -0.29 0.02 0.00 -0.02 0.00 0.00 41.12 41.43 1jc5 n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jc5 n GLU 73 N -0.07 0.12 -2.29 -1.24 4.71 -1.26 -4.80 120.64 115.81 1jc5 n GLU 73 Ca 0.00 -0.76 -0.31 0.00 -0.01 0.00 0.00 57.16 56.08 1jc5 n GLU 73 Cb 0.15 -1.08 -0.01 0.00 -1.01 0.00 0.00 31.44 29.49 1jc5 n GLU 73 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1jc5 s SER 74 N -0.51 6.41 0.57 1.62 1.04 -1.10 -4.93 113.70 116.80 1jc5 s SER 74 Ca 0.06 1.36 0.28 0.00 0.48 0.00 0.00 55.95 58.13 1jc5 s SER 74 Cb 0.04 -2.43 1.69 0.00 0.10 0.00 0.00 66.02 65.42 1jc5 s SER 74 CO 0.07 -0.67 2.20 0.71 0.98 0.00 0.00 173.24 176.54 1jc5 h THR 75 N 0.37 0.58 -0.32 2.02 1.35 -1.89 -0.31 112.91 114.71 1jc5 h THR 75 Ca -0.46 -0.14 -0.18 0.00 -0.55 0.00 0.00 66.41 65.09 1jc5 h THR 75 Cb 1.19 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1jc5 h THR 75 CO 0.62 0.03 -0.51 0.58 -0.25 0.00 0.00 175.52 176.00 1jc5 h VAL 76 N 0.00 1.27 -0.62 6.82 2.07 -1.91 -0.59 116.25 123.29 1jc5 h VAL 76 Ca -0.00 -1.69 -0.07 0.00 0.82 0.00 0.00 66.70 65.76 1jc5 h VAL 76 Cb 0.08 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1jc5 h VAL 76 CO 0.00 0.55 0.11 0.00 0.02 0.00 0.00 177.57 178.26 1jc5 h ALA 77 N 0.71 0.82 -0.39 1.67 0.00 -1.37 -0.76 119.26 119.95 1jc5 h ALA 77 Ca 0.03 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1jc5 h ALA 77 Cb 1.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1jc5 h ALA 77 CO 0.12 0.58 0.04 0.87 0.00 0.00 0.00 179.25 180.85 1jc5 h LYS 78 N 0.93 0.66 -0.46 0.00 1.57 -1.19 0.10 116.57 118.19 1jc5 h LYS 78 Ca 0.19 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jc5 h LYS 78 Cb 0.42 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1jc5 h LYS 78 CO 0.01 0.73 0.29 2.35 -0.57 0.00 0.00 179.45 182.27 1jc5 h TRP 79 N 0.50 0.59 -0.72 -1.35 7.01 -0.94 0.27 115.95 121.32 1jc5 h TRP 79 Ca 0.12 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 1jc5 h TRP 79 Cb 0.41 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.24 1jc5 h TRP 79 CO 0.03 0.39 0.39 -0.07 -2.79 0.00 0.00 178.44 176.39 1jc5 h LEU 80 N 0.62 0.90 -0.63 0.65 3.38 -0.82 -2.29 115.31 117.12 1jc5 h LEU 80 Ca 0.17 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1jc5 h LEU 80 Cb -0.05 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1jc5 h LEU 80 CO -0.03 0.74 0.01 0.00 0.09 0.00 0.00 178.44 179.25 1jc5 h ALA 81 N 1.20 0.84 0.00 1.53 0.00 -0.35 0.48 119.26 122.96 1jc5 h ALA 81 Ca 0.25 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jc5 h ALA 81 Cb 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1jc5 h ALA 81 CO -0.04 0.67 0.00 1.17 0.00 0.00 0.00 179.25 181.05 1jc5 n LYS 82 N -4.18 0.05 -0.49 0.00 4.81 0.92 -2.01 118.16 117.26 1jc5 n LYS 82 Ca 0.03 0.42 0.06 0.00 -0.87 0.00 0.00 58.31 57.94 1jc5 n LYS 82 Cb 0.34 -1.62 0.19 0.00 0.02 0.00 0.00 35.03 33.97 1jc5 n LYS 82 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1jc5 n HIS 83 N -1.71 0.22 -1.97 5.64 8.25 -0.71 -4.95 115.22 119.99 1jc5 n HIS 83 Ca 0.01 -1.35 -0.21 0.00 -0.26 0.00 0.00 57.72 55.91 1jc5 n HIS 83 Cb 0.10 -0.27 -0.05 0.00 1.12 0.00 0.00 29.99 30.89 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 -1.17 -5.68 0.00 0.41 5.03 -0.85 -2.00 115.26 111.00 1jc5 n ASN 84 Ca 0.21 0.27 0.00 0.00 0.87 0.00 0.00 54.58 55.92 1jc5 n ASN 84 Cb 0.74 -4.86 0.00 0.00 -1.02 0.00 0.00 39.78 34.64 1jc5 n ASN 84 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jc5 n GLY 85 N -0.70 0.47 3.70 7.41 0.00 0.16 -5.01 105.19 111.23 1jc5 n GLY 85 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1jc5 n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jc5 s ARG 86 N -0.29 4.48 0.51 1.61 3.00 -0.85 -4.89 118.95 122.52 1jc5 s ARG 86 Ca 0.00 1.29 -0.20 0.00 0.00 0.00 0.00 55.73 56.81 1jc5 s ARG 86 Cb 0.00 -3.49 -0.07 0.00 0.00 0.00 0.00 34.95 31.39 1jc5 s ARG 86 CO 0.00 -0.12 1.09 0.00 0.00 0.00 0.00 175.30 176.27 1jc5 s ALA 87 N 1.33 2.81 -0.03 2.13 0.00 -1.26 -4.91 121.76 121.83 1jc5 s ALA 87 Ca 0.47 0.73 -0.30 0.00 0.00 0.00 0.00 51.96 52.87 1jc5 s ALA 87 Cb -0.19 -3.31 0.12 0.00 0.00 0.00 0.00 23.12 19.73 1jc5 s ALA 87 CO 0.22 -0.53 1.31 0.20 0.00 0.00 0.00 175.76 176.96 1jc5 s GLY 88 N -1.82 -0.32 0.07 0.00 0.00 -0.62 -5.00 107.32 99.63 1jc5 s GLY 88 Ca 0.69 0.48 -0.34 0.00 0.00 0.00 0.00 44.72 45.55 1jc5 s GLY 88 CO 0.24 2.12 1.63 1.04 0.00 0.00 0.00 173.10 178.14 1jc5 n LEU 89 N -0.64 3.00 -0.13 0.66 4.77 -1.26 -1.99 117.00 121.41 1jc5 n LEU 89 Ca -0.04 1.06 -0.28 0.00 -0.03 0.00 0.00 56.01 56.72 1jc5 n LEU 89 Cb 0.61 -1.38 -0.10 0.00 -2.33 0.00 0.00 43.42 40.23 1jc5 n LEU 89 CO 0.13 -0.32 -1.40 1.57 -1.33 0.00 0.00 177.39 176.04 1jc5 n HIS 90 N 4.21 0.00 -3.74 -1.77 -0.00 0.15 -4.86 115.22 109.20 1jc5 n HIS 90 Ca 0.19 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.88 1jc5 n HIS 90 Cb 0.27 -0.95 -0.01 0.00 -0.00 0.00 0.00 29.99 29.31 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 -2.48 -0.10 -0.08 1.57 -3.43 -1.15 -4.69 115.29 104.94 1jc5 s HIS 91 Ca -0.37 -0.18 0.00 0.00 -0.80 0.00 0.00 55.06 53.71 1jc5 s HIS 91 Cb 0.14 0.63 -0.03 0.00 -1.43 0.00 0.00 32.58 31.89 1jc5 s HIS 91 CO 0.47 -0.74 -0.05 1.41 -2.00 0.00 0.00 174.74 173.83 1jc5 s MET 92 N -3.06 2.84 -0.08 -0.38 1.75 -1.14 -0.30 119.30 118.93 1jc5 s MET 92 Ca 0.13 -0.51 0.04 0.00 -1.25 0.00 0.00 55.69 54.10 1jc5 s MET 92 Cb -0.00 -2.65 -0.00 0.00 2.84 0.00 0.00 34.83 35.02 1jc5 s MET 92 CO 0.01 0.66 -0.22 0.00 -0.65 0.00 0.00 175.02 174.82 1jc5 s ALA 93 N -0.78 2.02 -0.15 4.11 0.00 -0.26 -0.56 121.76 126.14 1jc5 s ALA 93 Ca 0.12 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 1jc5 s ALA 93 Cb -0.11 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 1jc5 s ALA 93 CO 0.02 0.30 -0.11 -1.58 0.00 0.00 0.00 175.76 174.38 1jc5 s TRP 94 N 0.24 2.86 0.15 0.00 0.51 0.52 0.80 118.94 124.03 1jc5 s TRP 94 Ca -0.14 -0.74 -0.29 0.00 -2.12 0.00 0.00 56.10 52.81 1jc5 s TRP 94 Cb -0.16 -1.91 -0.07 0.00 -0.81 0.00 0.00 33.47 30.51 1jc5 s TRP 94 CO 0.07 -0.30 0.92 0.50 -0.51 0.00 0.00 176.95 177.62 1jc5 s ARG 95 N 0.64 4.72 0.09 4.98 3.52 -0.33 -0.53 118.95 132.05 1jc5 s ARG 95 Ca -0.06 1.40 0.06 0.00 -0.13 0.00 0.00 55.73 57.00 1jc5 s ARG 95 Cb -0.15 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 29.87 1jc5 s ARG 95 CO 0.03 0.36 -0.16 0.14 -0.81 0.00 0.00 175.30 174.85 1jc5 s VAL 96 N -0.50 1.31 0.09 7.11 -7.23 0.02 -1.26 120.40 119.93 1jc5 s VAL 96 Ca 0.43 -1.46 -0.09 0.00 -1.81 0.00 0.00 61.98 59.05 1jc5 s VAL 96 Cb -0.24 -1.29 -0.25 0.00 0.56 0.00 0.00 36.38 35.16 1jc5 s VAL 96 CO 0.29 -0.23 1.18 -0.78 -0.31 0.00 0.00 175.10 175.26 1jc5 h ASP 97 N 4.06 0.66 -3.05 4.85 3.58 -1.88 -3.39 116.42 121.24 1jc5 h ASP 97 Ca -0.42 -0.60 -0.57 0.00 0.42 0.00 0.00 57.03 55.87 1jc5 h ASP 97 Cb 1.19 -0.21 -0.40 0.00 1.72 0.00 0.00 39.33 41.63 1jc5 h ASP 97 CO 0.42 1.42 -0.76 -0.62 -2.88 0.00 0.00 179.24 176.82 1jc5 s ASP 98 N -7.24 3.90 0.43 2.28 -1.08 -1.26 -4.91 116.67 108.78 1jc5 s ASP 98 Ca -0.07 -1.54 0.14 0.00 -0.52 0.00 0.00 52.55 50.56 1jc5 s ASP 98 Cb 0.07 -0.72 0.93 0.00 -1.46 0.00 0.00 42.92 41.74 1jc5 s ASP 98 CO 0.90 -0.42 1.95 -0.29 0.52 0.00 0.00 175.17 177.83 1jc5 h ILE 99 N 6.47 1.16 -0.27 4.11 2.10 -1.94 -1.22 117.51 127.92 1jc5 h ILE 99 Ca -0.15 -0.80 -0.19 0.00 1.08 0.00 0.00 64.86 64.80 1jc5 h ILE 99 Cb 1.01 1.43 0.00 0.00 -1.09 0.00 0.00 36.82 38.18 1jc5 h ILE 99 CO 0.46 0.23 -0.55 0.44 -1.08 0.00 0.00 178.15 177.65 1jc5 h ASP 100 N 0.00 0.96 -0.11 2.19 3.32 -1.98 -0.95 116.42 119.84 1jc5 h ASP 100 Ca -0.00 -0.54 -0.04 0.00 0.02 0.00 0.00 57.03 56.46 1jc5 h ASP 100 Cb 0.41 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1jc5 h ASP 100 CO 0.03 1.32 -0.09 0.00 -1.72 0.00 0.00 179.24 178.78 1jc5 h ALA 101 N 0.66 0.16 -0.62 3.45 0.00 -1.92 -1.27 119.26 119.72 1jc5 h ALA 101 Ca 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1jc5 h ALA 101 Cb 1.17 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1jc5 h ALA 101 CO 0.12 -0.02 0.30 0.28 0.00 0.00 0.00 179.25 179.94 1jc5 h VAL 102 N -0.13 1.22 -0.72 0.00 2.07 -1.28 -1.70 116.25 115.70 1jc5 h VAL 102 Ca 0.02 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1jc5 h VAL 102 Cb 0.59 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1jc5 h VAL 102 CO 0.02 0.25 0.41 0.28 0.02 0.00 0.00 177.57 178.55 1jc5 h SER 103 N 0.85 0.89 -0.30 0.57 0.02 -1.14 -0.23 113.55 114.21 1jc5 h SER 103 Ca 0.21 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1jc5 h SER 103 Cb 0.12 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1jc5 h SER 103 CO -0.03 0.71 0.18 0.00 -1.14 0.00 0.00 176.83 176.56 1jc5 h ALA 104 N 1.21 0.37 -0.62 3.77 0.00 -0.87 0.60 119.26 123.72 1jc5 h ALA 104 Ca 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1jc5 h ALA 104 Cb 0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1jc5 h ALA 104 CO -0.04 -0.18 0.32 1.15 0.00 0.00 0.00 179.25 180.50 1jc5 h THR 105 N 0.38 1.21 -0.34 0.00 2.02 -0.93 -1.78 112.91 113.46 1jc5 h THR 105 Ca 0.11 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 1jc5 h THR 105 Cb -0.02 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1jc5 h THR 105 CO -0.04 0.23 0.12 -0.07 0.37 0.00 0.00 175.52 176.13 1jc5 h LEU 106 N 0.84 0.49 -1.13 2.58 3.38 -0.61 -1.32 115.31 119.54 1jc5 h LEU 106 Ca 0.21 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1jc5 h LEU 106 Cb 0.08 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1jc5 h LEU 106 CO -0.03 0.55 0.59 0.03 0.09 0.00 0.00 178.44 179.67 1jc5 h ARG 107 N 0.40 1.16 -0.72 1.13 3.08 -0.74 0.73 114.38 119.42 1jc5 h ARG 107 Ca 0.11 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 1jc5 h ARG 107 Cb 0.23 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1jc5 h ARG 107 CO -0.01 0.76 0.31 1.49 -1.07 0.00 0.00 179.97 181.46 1jc5 h GLU 108 N 1.19 1.06 0.00 0.04 4.22 -0.93 -1.55 114.58 118.61 1jc5 h GLU 108 Ca 0.33 -0.18 0.00 0.00 0.08 0.00 0.00 59.36 59.59 1jc5 h GLU 108 Cb -0.12 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 28.95 1jc5 h GLU 108 CO -0.07 0.86 0.00 0.54 -2.18 0.00 0.00 179.01 178.15 1jc5 n ARG 109 N -4.38 0.64 0.00 1.92 1.74 -0.53 -4.84 116.66 111.20 1jc5 n ARG 109 Ca 0.06 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1jc5 n ARG 109 Cb 0.16 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 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 0.39 0.55 3.78 -0.13 0.00 -0.58 -5.08 105.19 104.12 1jc5 n GLY 110 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 3.52 -0.09 1.61 1.01 0.19 -4.97 120.40 119.67 1jc5 s VAL 111 Ca 0.00 1.22 -0.03 0.00 0.00 0.00 0.00 61.98 63.17 1jc5 s VAL 111 Cb 0.00 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1jc5 s VAL 111 CO 0.00 0.07 0.04 -1.10 0.00 0.00 0.00 175.10 174.11 1jc5 s GLN 112 N -2.35 3.10 0.12 2.72 -1.52 -1.26 -4.07 119.66 116.40 1jc5 s GLN 112 Ca 0.57 -0.35 0.11 0.00 -1.95 0.00 0.00 55.36 53.74 1jc5 s GLN 112 Cb -0.26 -2.89 -0.04 0.00 -0.22 0.00 0.00 33.01 29.60 1jc5 s GLN 112 CO 0.32 0.72 -0.27 -0.51 -0.25 0.00 0.00 175.29 175.30 1jc5 s LEU 113 N -0.99 2.31 0.06 2.90 1.43 -1.26 -1.52 118.68 121.60 1jc5 s LEU 113 Ca 0.14 -0.74 -0.36 0.00 -1.03 0.00 0.00 54.13 52.15 1jc5 s LEU 113 Cb -0.12 -1.22 -0.20 0.00 0.03 0.00 0.00 46.19 44.69 1jc5 s LEU 113 CO 0.04 0.18 1.54 0.25 0.23 0.00 0.00 176.35 178.59 1jc5 h LEU 114 N 3.95 -1.10-10.00 1.79 5.85 -1.39 -3.44 115.31 110.96 1jc5 h LEU 114 Ca -0.51 0.04 -0.55 0.00 0.84 0.00 0.00 57.88 57.70 1jc5 h LEU 114 Cb 1.17 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.46 1jc5 h LEU 114 CO 0.39 -0.78 -0.26 -0.31 -0.34 0.00 0.00 178.44 177.14 1jc5 s TYR 115 N -5.82 3.47 -0.04 1.25 2.02 -1.26 -4.99 117.35 111.98 1jc5 s TYR 115 Ca -0.19 0.56 0.16 0.00 -0.37 0.00 0.00 57.07 57.23 1jc5 s TYR 115 Cb 0.02 -2.02 0.24 0.00 -0.40 0.00 0.00 41.96 39.80 1jc5 s TYR 115 CO 0.57 0.35 1.52 0.22 -1.57 0.00 0.00 175.55 176.64 1jc5 h ASP 116 N 2.39 0.00 -4.84 2.29 1.82 -2.00 -3.45 116.42 112.64 1jc5 h ASP 116 Ca -0.47 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 55.94 1jc5 h ASP 116 Cb 1.18 0.00 -0.21 0.00 0.68 0.00 0.00 39.33 40.97 1jc5 h ASP 116 CO 0.70 0.49 -0.72 -0.70 -1.61 0.00 0.00 179.24 177.40 1jc5 s GLU 117 N -3.14 0.44 0.44 0.28 2.56 -1.26 -5.13 118.70 112.89 1jc5 s GLU 117 Ca 0.03 -0.69 -0.25 0.00 0.00 0.00 0.00 54.97 54.06 1jc5 s GLU 117 Cb 0.09 -0.13 -0.09 0.00 2.00 0.00 0.00 34.13 36.00 1jc5 s GLU 117 CO 0.73 0.01 1.24 -2.30 -0.56 0.00 0.00 175.26 174.38 1jc5 n PRO 118 N 1.54 1.79 -4.14 4.30 -0.02 -1.26 -4.95 135.00 132.26 1jc5 n PRO 118 Ca -0.23 0.64 -0.25 0.00 -2.02 0.00 0.00 63.50 61.65 1jc5 n PRO 118 Cb 0.55 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 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 -2.28 2.74 0.02 -0.52 3.01 0.33 -4.83 119.74 118.21 1jc5 s LYS 119 Ca 0.63 -1.04 -0.30 0.00 -1.01 0.00 0.00 55.97 54.25 1jc5 s LYS 119 Cb -0.50 -2.50 -0.04 0.00 -1.01 0.00 0.00 37.83 33.78 1jc5 s LYS 119 CO 0.56 0.44 1.03 -1.17 0.51 0.00 0.00 175.35 176.72 1jc5 s LEU 120 N -3.37 4.38 0.00 3.17 2.96 -1.26 -0.06 118.68 124.50 1jc5 s LEU 120 Ca 0.31 1.75 0.00 0.00 -0.22 0.00 0.00 54.13 55.97 1jc5 s LEU 120 Cb -0.09 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1jc5 s LEU 120 CO 0.22 -0.30 0.00 0.61 -1.32 0.00 0.00 176.35 175.57 1jc5 n GLY 121 N 2.93 3.88 3.86 7.98 0.00 0.24 -4.88 105.19 119.19 1jc5 n GLY 121 Ca 0.06 -1.94 -0.31 0.00 0.00 0.00 0.00 46.02 43.83 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 2.10 4.65 -0.82 2.61 -4.23 -1.26 -3.82 115.64 114.87 1jc5 s THR 122 Ca 0.00 0.98 0.00 0.00 -1.18 0.00 0.00 61.69 61.49 1jc5 s THR 122 Cb 0.00 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 70.03 1jc5 s THR 122 CO 0.00 -0.96 0.00 0.61 -0.54 0.00 0.00 174.62 173.73 1jc5 n GLY 123 N -2.27 0.74 1.31 3.99 0.00 -1.26 -1.84 105.19 105.85 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 0.48 0.74 3.76 -0.02 0.00 -1.25 -4.73 105.19 104.17 1jc5 n GLY 124 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.82 5.41 -0.24 1.61 0.01 -0.77 -3.80 114.94 114.34 1jc5 s ASN 125 Ca 0.00 2.34 -0.08 0.00 -0.71 0.00 0.00 52.86 54.41 1jc5 s ASN 125 Cb 0.00 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 1jc5 s ASN 125 CO 0.00 -1.44 0.09 -0.13 -1.51 0.00 0.00 177.10 174.11 1jc5 s ARG 126 N -3.26 3.81 0.19 -0.60 0.52 -0.33 0.80 118.95 120.08 1jc5 s ARG 126 Ca 0.75 -0.40 0.05 0.00 -0.52 0.00 0.00 55.73 55.60 1jc5 s ARG 126 Cb -0.29 -3.37 -0.05 0.00 0.52 0.00 0.00 34.95 31.77 1jc5 s ARG 126 CO 0.32 -0.05 -0.07 0.96 0.02 0.00 0.00 175.30 176.47 1jc5 s ILE 127 N 1.29 1.24 0.31 1.52 -4.36 0.92 -1.48 121.20 120.64 1jc5 s ILE 127 Ca 0.05 -2.08 -0.15 0.00 -0.26 0.00 0.00 60.65 58.21 1jc5 s ILE 127 Cb -0.15 -2.07 0.02 0.00 1.25 0.00 0.00 42.46 41.52 1jc5 s ILE 127 CO 0.04 -0.57 0.65 0.21 0.24 0.00 0.00 174.94 175.52 1jc5 s ASN 128 N -3.25 -0.00 0.00 4.36 3.84 -1.01 -0.51 114.94 118.37 1jc5 s ASN 128 Ca 0.22 -0.94 0.02 0.00 0.21 0.00 0.00 52.86 52.37 1jc5 s ASN 128 Cb 0.03 0.72 -0.01 0.00 -0.55 0.00 0.00 41.25 41.45 1jc5 s ASN 128 CO 0.05 -1.39 -0.08 -0.36 -2.79 0.00 0.00 177.10 172.52 1jc5 s PHE 129 N -3.37 0.70 -0.71 0.43 0.40 -1.26 -0.77 117.98 113.39 1jc5 s PHE 129 Ca 0.17 -0.19 -0.20 0.00 -0.60 0.00 0.00 56.93 56.12 1jc5 s PHE 129 Cb -0.04 -0.44 0.10 0.00 0.51 0.00 0.00 43.02 43.15 1jc5 s PHE 129 CO 0.10 -0.02 0.92 -1.64 0.70 0.00 0.00 175.22 175.29 1jc5 s MET 130 N -0.41 3.23 -0.03 0.44 -1.94 0.88 -0.88 119.30 120.59 1jc5 s MET 130 Ca 0.01 -1.26 -0.06 0.00 -1.71 0.00 0.00 55.69 52.66 1jc5 s MET 130 Cb -0.04 -4.42 -0.03 0.00 2.01 0.00 0.00 34.83 32.35 1jc5 s MET 130 CO -0.00 -1.71 0.19 0.72 -0.01 0.00 0.00 175.02 174.21 1jc5 n HIS 131 N 6.89 0.15 -0.25 -0.03 8.25 -0.58 -3.46 115.22 126.19 1jc5 n HIS 131 Ca 0.02 0.17 0.17 0.00 -0.26 0.00 0.00 57.72 57.81 1jc5 n HIS 131 Cb 0.45 -0.32 0.32 0.00 1.12 0.00 0.00 29.99 31.56 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 0.35 -0.05 0.24 -0.41 -0.02 -1.26 0.42 135.00 134.27 1jc5 n PRO 132 Ca 0.04 1.08 0.09 0.00 -2.02 0.00 0.00 63.50 62.69 1jc5 n PRO 132 Cb 0.01 -1.81 0.61 0.00 -0.02 0.00 0.00 33.50 32.28 1jc5 n PRO 132 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1jc5 h LYS 133 N 0.00 0.00 -0.01 -0.52 1.79 -1.88 1.23 116.57 117.19 1jc5 h LYS 133 Ca 0.53 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.00 1jc5 h LYS 133 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1jc5 h LYS 133 CO -0.65 0.18 -0.48 0.43 -1.08 0.00 0.00 179.45 177.85 1jc5 n SER 134 N -3.86 1.01 -0.41 0.86 7.64 1.40 -3.46 113.62 116.81 1jc5 n SER 134 Ca -0.02 -0.80 0.04 0.00 1.01 0.00 0.00 58.87 59.10 1jc5 n SER 134 Cb 0.27 0.35 0.08 0.00 -1.01 0.00 0.00 64.21 63.90 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 1.43 1.40 3.63 0.23 0.00 0.77 -4.85 105.19 107.79 1jc5 n GLY 135 Ca 0.08 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 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 0.33 -1.84 0.00 1.61 4.76 0.40 -2.43 118.16 120.98 1jc5 n LYS 136 Ca 0.07 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 56.04 1jc5 n LYS 136 Cb 0.31 -4.52 0.00 0.00 -1.84 0.00 0.00 35.03 28.98 1jc5 n LYS 136 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jc5 n GLY 137 N -1.62 3.16 3.61 0.72 0.00 -0.28 -5.01 105.19 105.78 1jc5 n GLY 137 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1jc5 n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jc5 s VAL 138 N -2.13 3.70 -0.15 1.61 0.11 -1.02 -5.02 120.40 117.50 1jc5 s VAL 138 Ca 0.00 -0.89 -0.26 0.00 -2.93 0.00 0.00 61.98 57.90 1jc5 s VAL 138 Cb 0.00 -2.66 -0.01 0.00 -1.53 0.00 0.00 36.38 32.17 1jc5 s VAL 138 CO 0.00 0.29 0.87 -0.22 -3.33 0.00 0.00 175.10 172.71 1jc5 s LEU 139 N -1.72 4.20 -0.20 2.54 2.96 -1.26 -4.18 118.68 121.01 1jc5 s LEU 139 Ca 0.20 1.26 0.01 0.00 -0.22 0.00 0.00 54.13 55.38 1jc5 s LEU 139 Cb -0.11 -3.30 0.03 0.00 0.50 0.00 0.00 46.19 43.31 1jc5 s LEU 139 CO 0.11 -0.40 -0.15 -0.63 -1.32 0.00 0.00 176.35 173.96 1jc5 s ILE 140 N 2.06 1.92 0.21 6.68 1.01 -1.25 -2.90 121.20 128.93 1jc5 s ILE 140 Ca 0.41 -1.08 -0.16 0.00 0.00 0.00 0.00 60.65 59.82 1jc5 s ILE 140 Cb -0.17 -1.87 -0.08 0.00 0.01 0.00 0.00 42.46 40.35 1jc5 s ILE 140 CO 0.14 0.31 0.65 -0.70 0.00 0.00 0.00 174.94 175.34 1jc5 s GLU 141 N 1.30 4.06 -0.13 2.79 2.12 0.27 -0.09 118.70 129.02 1jc5 s GLU 141 Ca 0.00 0.64 -0.02 0.00 0.36 0.00 0.00 54.97 55.95 1jc5 s GLU 141 Cb -0.15 -2.79 -0.03 0.00 0.26 0.00 0.00 34.13 31.42 1jc5 s GLU 141 CO -0.10 0.37 -0.06 -0.51 -0.54 0.00 0.00 175.26 174.42 1jc5 s LEU 142 N -2.24 3.13 -0.02 2.70 1.43 0.05 -0.35 118.68 123.38 1jc5 s LEU 142 Ca 0.44 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1jc5 s LEU 142 Cb -0.14 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1jc5 s LEU 142 CO 0.20 0.20 0.01 0.42 0.23 0.00 0.00 176.35 177.41 1jc5 s THR 143 N 0.15 0.03 -0.05 5.49 -4.23 0.32 -2.42 115.64 114.92 1jc5 s THR 143 Ca -0.03 0.13 0.06 0.00 -1.18 0.00 0.00 61.69 60.66 1jc5 s THR 143 Cb -0.14 -0.12 -0.02 0.00 1.34 0.00 0.00 72.50 73.56 1jc5 s THR 143 CO 0.03 0.09 -0.23 -1.58 -0.54 0.00 0.00 174.62 172.39 1jc5 s GLN 144 N 0.80 2.52 0.51 3.99 0.74 -0.55 -0.80 119.66 126.87 1jc5 s GLN 144 Ca -0.07 -0.86 -0.21 0.00 0.05 0.00 0.00 55.36 54.27 1jc5 s GLN 144 Cb -0.10 -2.21 -0.07 0.00 1.10 0.00 0.00 33.01 31.74 1jc5 s GLN 144 CO -0.02 0.44 1.13 0.71 -0.55 0.00 0.00 175.29 177.00 1jc5 s TYR 145 N -0.30 2.78 0.56 1.67 1.51 -1.26 -1.18 117.35 121.12 1jc5 s TYR 145 Ca 0.01 1.55 -0.21 0.00 -1.01 0.00 0.00 57.07 57.41 1jc5 s TYR 145 Cb -0.13 -3.30 -0.05 0.00 -0.11 0.00 0.00 41.96 38.38 1jc5 s TYR 145 CO 0.02 -1.47 1.24 -0.35 -1.11 0.00 0.00 175.55 173.88 1jc5 n PRO 146 N -0.99 1.43 -3.07 -1.71 -0.04 -1.25 -4.79 135.00 124.59 1jc5 n PRO 146 Ca 0.10 0.53 -0.38 0.00 -0.04 0.00 0.00 63.50 63.71 1jc5 n PRO 146 Cb 0.50 -2.44 -0.06 0.00 -0.04 0.00 0.00 33.50 31.46 1jc5 n PRO 146 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1jc5 s LYS 147 N -2.85 4.42 0.00 0.54 -0.14 -1.26 -5.07 119.74 115.39 1jc5 s LYS 147 Ca 0.73 1.01 0.00 0.00 -1.36 0.00 0.00 55.97 56.35 1jc5 s LYS 147 Cb -0.42 -3.17 0.00 0.00 -1.68 0.00 0.00 37.83 32.56 1jc5 s LYS 147 CO 0.48 0.54 0.00 -1.71 -0.76 0.00 0.00 175.35 173.91