#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqz s PRO 11 N 0.00 0.23 -0.04 1.61 0.04 -1.26 -4.97 135.00 130.60 2jqz s PRO 11 Ca 0.00 1.26 0.05 0.00 0.04 0.00 0.00 61.00 62.35 2jqz s PRO 11 Cb 0.00 -1.66 -0.01 0.00 0.04 0.00 0.00 34.50 32.88 2jqz s PRO 11 CO 0.00 -3.08 -0.21 0.14 0.04 0.00 0.00 177.00 173.90 2jqz s VAL 12 N -2.57 1.70 -0.63 -0.36 -7.23 -1.03 -4.85 120.40 105.41 2jqz s VAL 12 Ca 0.67 -0.87 -0.25 0.00 -1.81 0.00 0.00 61.98 59.72 2jqz s VAL 12 Cb -0.24 -1.44 0.05 0.00 0.56 0.00 0.00 36.38 35.31 2jqz s VAL 12 CO 0.61 0.48 1.06 -0.75 -0.31 0.00 0.00 175.10 176.18 2jqz s LYS 13 N -0.12 3.24 -0.18 4.82 2.20 -1.26 -0.92 119.74 127.52 2jqz s LYS 13 Ca -0.02 -0.40 -0.04 0.00 -0.36 0.00 0.00 55.97 55.16 2jqz s LYS 13 Cb -0.12 -4.14 -0.02 0.00 -1.51 0.00 0.00 37.83 32.04 2jqz s LYS 13 CO 0.02 -1.77 -0.03 -1.17 -0.36 0.00 0.00 175.35 172.04 2jqz s LEU 14 N 4.51 3.15 -0.15 5.43 1.98 -0.79 -1.22 118.68 131.59 2jqz s LEU 14 Ca 0.30 -0.22 -0.02 0.00 -2.89 0.00 0.00 54.13 51.30 2jqz s LEU 14 Cb -0.12 -1.78 -0.02 0.00 0.66 0.00 0.00 46.19 44.93 2jqz s LEU 14 CO 0.16 0.10 -0.08 0.00 -1.89 0.00 0.00 176.35 174.64 2jqz s ARG 15 N 0.80 3.51 -0.31 1.98 1.70 -0.99 -1.54 118.95 124.09 2jqz s ARG 15 Ca -0.01 -0.60 -0.10 0.00 -0.47 0.00 0.00 55.73 54.54 2jqz s ARG 15 Cb -0.14 -2.81 -0.01 0.00 -0.57 0.00 0.00 34.95 31.42 2jqz s ARG 15 CO 0.02 0.17 0.17 -1.17 -1.08 0.00 0.00 175.30 173.42 2jqz s LEU 16 N 0.50 4.19 -0.44 -1.89 0.20 -0.89 -2.67 118.68 117.68 2jqz s LEU 16 Ca -0.06 -0.46 -0.20 0.00 0.69 0.00 0.00 54.13 54.11 2jqz s LEU 16 Cb -0.15 -2.04 0.03 0.00 -0.43 0.00 0.00 46.19 43.60 2jqz s LEU 16 CO 0.03 -0.19 0.58 -0.89 -0.29 0.00 0.00 176.35 175.60 2jqz s THR 17 N 1.65 4.90 -0.97 3.68 2.01 0.00 -2.46 115.64 124.45 2jqz s THR 17 Ca 0.05 -0.08 -0.22 0.00 0.31 0.00 0.00 61.69 61.75 2jqz s THR 17 Cb -0.17 -4.17 0.06 0.00 0.01 0.00 0.00 72.50 68.24 2jqz s THR 17 CO 0.08 -0.57 1.36 -0.69 -0.69 0.00 0.00 174.62 174.11 2jqz s VAL 18 N 2.61 4.07 -0.02 3.82 1.01 0.21 -1.10 120.40 131.01 2jqz s VAL 18 Ca 0.19 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 2jqz s VAL 18 Cb -0.15 -4.99 -0.10 0.00 0.00 0.00 0.00 36.38 31.14 2jqz s VAL 18 CO 0.17 -1.84 0.78 0.25 0.00 0.00 0.00 175.10 174.46 2jqz h LEU 19 N 12.31 -0.56 -7.89 3.92 5.85 -1.74 0.26 115.31 127.46 2jqz h LEU 19 Ca 0.14 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.98 2jqz h LEU 19 Cb 1.02 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 2jqz h LEU 19 CO 1.35 -0.16 0.36 0.00 -0.34 0.00 0.00 178.44 179.64 2jqz s ALA 21 N -3.27 1.99 0.16 0.00 0.00 -1.13 -0.29 121.76 119.23 2jqz s ALA 21 Ca 0.13 -1.73 0.03 0.00 0.00 0.00 0.00 51.96 50.40 2jqz s ALA 21 Cb -0.04 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 2jqz s ALA 21 CO 0.06 -0.05 -0.05 0.15 0.00 0.00 0.00 175.76 175.87 2jqz s LYS 22 N -3.72 1.08 -1.09 0.00 -0.14 0.08 -3.37 119.74 112.58 2jqz s LYS 22 Ca 0.25 -1.49 -0.23 0.00 -1.36 0.00 0.00 55.97 53.13 2jqz s LYS 22 Cb 0.02 -0.44 0.03 0.00 -1.68 0.00 0.00 37.83 35.76 2jqz s LYS 22 CO 0.08 -0.03 0.67 -1.71 -0.76 0.00 0.00 175.35 173.59 2jqz n ASN 23 N -0.22 -4.48 -4.66 2.83 4.05 0.01 -0.53 115.26 112.26 2jqz n ASN 23 Ca -0.09 -1.17 -0.43 0.00 0.45 0.00 0.00 54.58 53.35 2jqz n ASN 23 Cb 0.62 -1.81 -0.02 0.00 1.23 0.00 0.00 39.78 39.79 2jqz n ASN 23 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2jqz s LEU 24 N -6.61 4.16 -0.24 1.20 2.01 -1.06 -2.17 118.68 115.97 2jqz s LEU 24 Ca 0.34 1.62 -0.33 0.00 0.01 0.00 0.00 54.13 55.76 2jqz s LEU 24 Cb -0.18 -3.54 -0.10 0.00 0.01 0.00 0.00 46.19 42.38 2jqz s LEU 24 CO 0.94 -0.73 2.10 0.55 1.01 0.00 0.00 176.35 180.22 2jqz n VAL 25 N 5.33 0.34 0.17 -1.59 3.14 -1.26 -4.74 118.33 119.71 2jqz n VAL 25 Ca 0.13 -0.26 0.06 0.00 -2.96 0.00 0.00 64.34 61.32 2jqz n VAL 25 Cb 0.45 -1.92 0.32 0.00 -1.06 0.00 0.00 33.84 31.63 2jqz n VAL 25 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2jqz n LYS 26 N 7.82 0.08 0.00 1.45 5.02 -1.26 -4.56 118.16 126.71 2jqz n LYS 26 Ca 0.33 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 2jqz n LYS 26 Cb 0.30 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 2jqz n LYS 26 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2jqz n LYS 27 N -1.88 0.00 -3.73 1.97 4.76 -1.26 -4.21 118.16 113.80 2jqz n LYS 27 Ca 0.00 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.08 2jqz n LYS 27 Cb 0.06 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.15 2jqz n LYS 27 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2jqz s ASP 28 N -3.61 5.93 0.00 4.39 1.01 -1.26 -5.03 116.67 118.11 2jqz s ASP 28 Ca 0.00 0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.33 2jqz s ASP 28 Cb 0.00 -2.06 0.00 0.00 1.01 0.00 0.00 42.92 41.87 2jqz s ASP 28 CO 0.00 0.07 0.97 0.49 0.21 0.00 0.00 175.17 176.92 2jqz n PHE 29 N 4.22 0.00 0.31 4.23 3.72 -1.26 -0.04 117.46 128.63 2jqz n PHE 29 Ca -0.15 0.00 0.21 0.00 -0.05 0.00 0.00 57.45 57.45 2jqz n PHE 29 Cb 0.52 -0.47 1.10 0.00 -0.94 0.00 0.00 39.48 39.69 2jqz n PHE 29 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 2jqz h PHE 30 N 0.00 0.00 -1.67 1.38 0.04 -1.95 -3.43 116.94 111.31 2jqz h PHE 30 Ca 0.00 0.00 -0.42 0.00 2.80 0.00 0.00 57.97 60.35 2jqz h PHE 30 Cb 0.00 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.18 2jqz h PHE 30 CO -0.86 0.00 -0.21 1.03 -0.60 0.00 0.00 178.31 177.67 2jqz s ARG 31 N -4.04 2.76 0.02 1.51 0.52 0.94 -5.13 118.95 115.53 2jqz s ARG 31 Ca -0.04 -1.14 0.01 0.00 -0.52 0.00 0.00 55.73 54.03 2jqz s ARG 31 Cb 0.12 -2.70 -0.02 0.00 0.52 0.00 0.00 34.95 32.87 2jqz s ARG 31 CO 0.37 -0.38 -0.04 -0.51 0.02 0.00 0.00 175.30 174.76 2jqz s LEU 32 N -4.45 2.21 0.12 2.53 2.01 -1.26 -4.52 118.68 115.33 2jqz s LEU 32 Ca 0.56 -0.45 -0.14 0.00 0.01 0.00 0.00 54.13 54.10 2jqz s LEU 32 Cb -0.10 -0.01 -0.07 0.00 0.01 0.00 0.00 46.19 46.03 2jqz s LEU 32 CO 0.34 -0.23 0.53 -2.16 1.01 0.00 0.00 176.35 175.84 2jqz s PRO 33 N -1.30 3.98 -0.92 1.29 0.04 -1.26 -4.77 135.00 132.06 2jqz s PRO 33 Ca -0.12 0.48 -0.02 0.00 0.04 0.00 0.00 61.00 61.38 2jqz s PRO 33 Cb -0.09 -2.99 0.23 0.00 0.04 0.00 0.00 34.50 31.70 2jqz s PRO 33 CO -0.00 0.52 0.86 -0.25 0.04 0.00 0.00 177.00 178.16 2jqz n ASP 34 N 0.98 4.44 -4.76 6.66 9.92 -1.26 -3.38 116.55 129.16 2jqz n ASP 34 Ca -0.07 -3.16 -0.40 0.00 -0.53 0.00 0.00 54.79 50.63 2jqz n ASP 34 Cb 0.52 -1.07 0.02 0.00 -0.64 0.00 0.00 41.12 39.94 2jqz n ASP 34 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2jqz n PRO 35 N 2.19 2.19 -4.00 -0.24 -0.04 -1.25 -1.10 135.00 132.75 2jqz n PRO 35 Ca 0.23 0.78 -0.10 0.00 -0.04 0.00 0.00 63.50 64.37 2jqz n PRO 35 Cb 0.37 -2.62 -0.04 0.00 -0.04 0.00 0.00 33.50 31.17 2jqz n PRO 35 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2jqz s PHE 36 N -1.20 0.49 0.17 0.54 -0.71 -0.64 -0.38 117.98 116.25 2jqz s PHE 36 Ca 0.62 -0.86 0.08 0.00 -1.04 0.00 0.00 56.93 55.73 2jqz s PHE 36 Cb -0.45 0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.50 2jqz s PHE 36 CO 0.57 -1.07 -0.16 0.00 -1.34 0.00 0.00 175.22 173.22 2jqz s ALA 37 N -3.67 1.88 -0.06 1.99 0.00 -1.14 -1.84 121.76 118.92 2jqz s ALA 37 Ca 0.24 -1.50 -0.02 0.00 0.00 0.00 0.00 51.96 50.68 2jqz s ALA 37 Cb -0.01 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.02 2jqz s ALA 37 CO 0.12 0.14 0.06 0.15 0.00 0.00 0.00 175.76 176.23 2jqz s LYS 38 N -3.05 -0.02 0.03 0.00 1.02 0.13 -0.20 119.74 117.65 2jqz s LYS 38 Ca 0.16 0.29 -0.22 0.00 0.02 0.00 0.00 55.97 56.23 2jqz s LYS 38 Cb -0.04 -0.74 -0.06 0.00 -0.52 0.00 0.00 37.83 36.48 2jqz s LYS 38 CO 0.06 -0.38 0.65 0.08 -0.92 0.00 0.00 175.35 174.83 2jqz s VAL 39 N 2.15 4.80 -0.02 3.17 1.01 0.95 -1.38 120.40 131.09 2jqz s VAL 39 Ca 0.05 1.37 0.01 0.00 0.00 0.00 0.00 61.98 63.40 2jqz s VAL 39 Cb -0.13 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.28 2jqz s VAL 39 CO -0.04 0.43 -0.02 0.68 0.00 0.00 0.00 175.10 176.15 2jqz s VAL 40 N -0.35 0.24 -0.68 2.92 -7.23 -0.97 -1.68 120.40 112.65 2jqz s VAL 40 Ca 0.33 -0.04 -0.17 0.00 -1.81 0.00 0.00 61.98 60.28 2jqz s VAL 40 Cb -0.19 -0.26 0.14 0.00 0.56 0.00 0.00 36.38 36.62 2jqz s VAL 40 CO 0.19 0.11 0.73 -0.69 -0.31 0.00 0.00 175.10 175.13 2jqz s VAL 41 N 0.44 5.08 -0.47 1.32 1.01 -1.12 -2.36 120.40 124.30 2jqz s VAL 41 Ca -0.04 -1.52 -0.07 0.00 0.00 0.00 0.00 61.98 60.35 2jqz s VAL 41 Cb -0.07 -4.49 -0.15 0.00 0.00 0.00 0.00 36.38 31.67 2jqz s VAL 41 CO -0.01 -1.10 1.09 -0.67 0.00 0.00 0.00 175.10 174.42 2jqz n ASP 42 N 5.57 -0.48 0.00 3.32 2.03 -1.17 0.13 116.55 125.95 2jqz n ASP 42 Ca -0.01 -0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.13 2jqz n ASP 42 Cb 0.44 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 2jqz n ASP 42 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jqz n GLY 43 N 2.74 -0.40 7.00 0.27 0.00 -1.26 -4.70 105.19 108.85 2jqz n GLY 43 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2jqz n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jqz n SER 44 N 0.00 -4.70 0.00 1.61 7.64 0.12 -4.90 113.62 113.39 2jqz n SER 44 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jqz n SER 44 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2jqz n SER 44 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jqz n GLY 45 N 0.00 2.56 3.11 0.23 0.00 -1.26 -4.72 105.19 105.11 2jqz n GLY 45 Ca 0.00 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 2jqz n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jqz s GLN 46 N 0.00 2.49 0.05 1.61 -0.21 -1.26 -5.09 119.66 117.26 2jqz s GLN 46 Ca 0.00 -1.18 0.07 0.00 0.02 0.00 0.00 55.36 54.27 2jqz s GLN 46 Cb 0.00 -2.85 -0.03 0.00 1.00 0.00 0.00 33.01 31.13 2jqz s GLN 46 CO 0.00 -0.47 -0.20 0.00 -2.12 0.00 0.00 175.29 172.49 2jqz s HIS 48 N -0.86 0.77 -0.10 0.00 3.76 -0.68 -4.94 115.29 113.24 2jqz s HIS 48 Ca 0.07 -1.06 -0.24 0.00 -0.15 0.00 0.00 55.06 53.68 2jqz s HIS 48 Cb -0.09 -0.22 0.05 0.00 1.11 0.00 0.00 32.58 33.43 2jqz s HIS 48 CO 0.02 -0.77 0.56 -1.54 -0.85 0.00 0.00 174.74 172.16 2jqz s SER 49 N -3.08 -0.54 0.06 1.40 1.04 -1.26 -0.03 113.70 111.29 2jqz s SER 49 Ca 0.30 0.73 0.02 0.00 0.48 0.00 0.00 55.95 57.49 2jqz s SER 49 Cb 0.04 0.72 -0.04 0.00 0.10 0.00 0.00 66.02 66.83 2jqz s SER 49 CO 0.09 -0.43 0.07 0.42 0.98 0.00 0.00 173.24 174.37 2jqz s THR 50 N -0.70 4.53 0.99 2.02 -4.23 0.72 -4.94 115.64 114.03 2jqz s THR 50 Ca -0.08 -0.69 -0.15 0.00 -1.18 0.00 0.00 61.69 59.59 2jqz s THR 50 Cb -0.03 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.67 2jqz s THR 50 CO 0.06 0.19 0.03 0.47 -0.54 0.00 0.00 174.62 174.82 2jqz n ASP 51 N 0.68 -2.94 -4.89 3.99 8.00 -1.26 -2.89 116.55 117.25 2jqz n ASP 51 Ca -0.10 0.22 -0.33 0.00 0.71 0.00 0.00 54.79 55.29 2jqz n ASP 51 Cb 0.52 -1.05 -0.05 0.00 -0.02 0.00 0.00 41.12 40.52 2jqz n ASP 51 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2jqz s THR 52 N -2.28 5.17 0.27 -3.53 2.01 -1.26 -4.34 115.64 111.68 2jqz s THR 52 Ca 0.53 0.17 0.07 0.00 0.31 0.00 0.00 61.69 62.77 2jqz s THR 52 Cb -0.18 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 2jqz s THR 52 CO 0.70 0.17 0.21 -0.69 -0.69 0.00 0.00 174.62 174.32 2jqz s VAL 53 N -1.52 4.26 -0.07 3.82 1.01 0.49 -4.99 120.40 123.40 2jqz s VAL 53 Ca 0.36 -1.41 0.03 0.00 0.00 0.00 0.00 61.98 60.97 2jqz s VAL 53 Cb -0.13 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 2jqz s VAL 53 CO 0.21 -0.32 -0.16 -1.59 0.00 0.00 0.00 175.10 173.24 2jqz s LYS 54 N -3.87 2.74 -0.03 2.72 -2.85 -1.26 -3.78 119.74 113.41 2jqz s LYS 54 Ca 0.34 -0.73 -0.03 0.00 -1.00 0.00 0.00 55.97 54.55 2jqz s LYS 54 Cb -0.07 -2.40 0.00 0.00 -2.06 0.00 0.00 37.83 33.30 2jqz s LYS 54 CO 0.25 0.47 0.05 0.27 0.10 0.00 0.00 175.35 176.49 2jqz n ASN 55 N 2.74 -0.83 -3.66 0.03 0.23 -1.22 -4.95 115.26 107.61 2jqz n ASN 55 Ca -0.17 0.01 -0.14 0.00 -0.53 0.00 0.00 54.58 53.74 2jqz n ASN 55 Cb 0.52 -0.22 -0.08 0.00 -2.08 0.00 0.00 39.78 37.92 2jqz n ASN 55 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2jqz s THR 56 N -0.17 0.01 -1.14 5.53 -1.32 -1.23 -5.00 115.64 112.31 2jqz s THR 56 Ca 0.03 -0.07 0.18 0.00 -1.21 0.00 0.00 61.69 60.61 2jqz s THR 56 Cb -0.00 -0.81 0.61 0.00 -1.51 0.00 0.00 72.50 70.79 2jqz s THR 56 CO 0.07 -0.04 1.53 0.18 -2.21 0.00 0.00 174.62 174.14 2jqz n LEU 57 N 2.16 4.21 -2.75 9.08 4.77 -1.26 -4.60 117.00 128.60 2jqz n LEU 57 Ca -0.16 -2.35 -0.06 0.00 -0.03 0.00 0.00 56.01 53.42 2jqz n LEU 57 Cb 0.56 -0.50 0.03 0.00 -2.33 0.00 0.00 43.42 41.18 2jqz n LEU 57 CO 0.13 0.82 0.17 -0.90 -1.33 0.00 0.00 177.39 176.28 2jqz n ASP 58 N 0.94 -3.17 -2.09 -1.43 5.75 -1.26 -0.81 116.55 114.47 2jqz n ASP 58 Ca 0.23 -3.01 0.00 0.00 -0.01 0.00 0.00 54.79 51.99 2jqz n ASP 58 Cb 0.76 1.75 0.00 0.00 -1.03 0.00 0.00 41.12 42.60 2jqz n ASP 58 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2jqz n PRO 59 N 2.40 -0.04 -3.55 0.11 -0.04 -1.22 -4.85 135.00 127.81 2jqz n PRO 59 Ca 0.14 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.49 2jqz n PRO 59 Cb 0.59 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.01 2jqz n PRO 59 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2jqz s LYS 60 N -2.86 0.70 0.00 0.54 0.00 -1.26 -2.84 119.74 114.02 2jqz s LYS 60 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 55.97 56.01 2jqz s LYS 60 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 37.83 38.16 2jqz s LYS 60 CO 0.00 -0.24 0.00 0.91 0.00 0.00 0.00 175.35 176.02 2jqz n TRP 61 N 0.50 0.00 -2.63 1.78 8.01 -0.93 -4.95 117.44 119.22 2jqz n TRP 61 Ca -0.11 0.00 -0.14 0.00 -1.31 0.00 0.00 57.50 55.94 2jqz n TRP 61 Cb 0.59 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 29.88 2jqz n TRP 61 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 2jqz n ASN 62 N -1.04 -3.85 -4.55 -0.99 2.85 0.88 -4.94 115.26 103.62 2jqz n ASN 62 Ca 0.00 0.08 -0.34 0.00 -0.11 0.00 0.00 54.58 54.21 2jqz n ASN 62 Cb 0.00 -3.25 -0.11 0.00 1.24 0.00 0.00 39.78 37.66 2jqz n ASN 62 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2jqz s GLN 63 N -5.23 3.43 0.02 1.20 -0.21 -1.05 -4.87 119.66 112.95 2jqz s GLN 63 Ca 0.08 -0.49 0.07 0.00 0.02 0.00 0.00 55.36 55.04 2jqz s GLN 63 Cb -0.04 -2.86 -0.03 0.00 1.00 0.00 0.00 33.01 31.08 2jqz s GLN 63 CO 0.10 0.39 -0.21 -3.38 -2.12 0.00 0.00 175.29 170.07 2jqz s HIS 64 N -0.04 2.48 -0.04 0.91 -3.43 -1.26 -0.62 115.29 113.29 2jqz s HIS 64 Ca 0.02 -0.31 0.06 0.00 -0.80 0.00 0.00 55.06 54.02 2jqz s HIS 64 Cb -0.13 -1.47 -0.01 0.00 -1.43 0.00 0.00 32.58 29.54 2jqz s HIS 64 CO 0.02 0.17 -0.22 0.71 -2.00 0.00 0.00 174.74 173.43 2jqz s TYR 65 N -0.82 2.06 -0.27 0.38 2.02 -1.03 -4.94 117.35 114.75 2jqz s TYR 65 Ca 0.13 -0.52 -0.10 0.00 -0.37 0.00 0.00 57.07 56.20 2jqz s TYR 65 Cb -0.10 -1.35 -0.05 0.00 -0.40 0.00 0.00 41.96 40.06 2jqz s TYR 65 CO 0.03 -0.13 0.17 -0.51 -1.57 0.00 0.00 175.55 173.54 2jqz s ASP 66 N -0.25 5.90 -0.01 2.29 1.11 -1.26 -2.10 116.67 122.35 2jqz s ASP 66 Ca 0.01 -0.03 0.04 0.00 0.18 0.00 0.00 52.55 52.76 2jqz s ASP 66 Cb -0.11 -2.09 -0.01 0.00 1.07 0.00 0.00 42.92 41.78 2jqz s ASP 66 CO 0.01 -0.04 -0.14 -0.76 1.18 0.00 0.00 175.17 175.43 2jqz s LEU 67 N 1.66 2.02 0.32 1.23 1.43 -0.59 -4.94 118.68 119.82 2jqz s LEU 67 Ca 0.07 -0.26 -0.26 0.00 -1.03 0.00 0.00 54.13 52.65 2jqz s LEU 67 Cb -0.16 -0.73 -0.10 0.00 0.03 0.00 0.00 46.19 45.23 2jqz s LEU 67 CO 0.09 0.17 0.96 -0.31 0.23 0.00 0.00 176.35 177.49 2jqz s TYR 68 N -0.32 3.69 -0.28 0.29 2.02 -1.26 -1.89 117.35 119.60 2jqz s TYR 68 Ca 0.05 1.78 -0.03 0.00 -0.37 0.00 0.00 57.07 58.51 2jqz s TYR 68 Cb -0.06 -2.96 0.03 0.00 -0.40 0.00 0.00 41.96 38.57 2jqz s TYR 68 CO -0.00 0.14 -0.00 0.42 -1.57 0.00 0.00 175.55 174.53 2jqz s ILE 69 N -1.55 3.19 0.00 2.71 -1.09 -0.09 -4.87 121.20 119.49 2jqz s ILE 69 Ca 0.50 -1.07 0.00 0.00 -2.23 0.00 0.00 60.65 57.84 2jqz s ILE 69 Cb -0.20 -2.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.98 2jqz s ILE 69 CO 0.26 0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 2jqz n GLY 70 N 4.70 -0.92 0.14 6.18 0.00 -1.26 -2.47 105.19 111.57 2jqz n GLY 70 Ca -0.15 -1.64 -0.04 0.00 0.00 0.00 0.00 46.02 44.19 2jqz n GLY 70 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jqz h LYS 71 N 0.00 -0.01 -1.36 1.61 3.64 -1.99 -3.04 116.57 115.42 2jqz h LYS 71 Ca 0.00 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.83 2jqz h LYS 71 Cb 0.00 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 31.40 2jqz h LYS 71 CO 0.00 -0.01 -0.80 -1.13 -2.27 0.00 0.00 179.45 175.24 2jqz n SER 72 N -3.72 4.27 -4.93 4.20 3.41 -1.26 -5.07 113.62 110.53 2jqz n SER 72 Ca 0.01 -3.57 -0.25 0.00 -0.26 0.00 0.00 58.87 54.79 2jqz n SER 72 Cb 0.09 -0.46 -0.00 0.00 -0.26 0.00 0.00 64.21 63.58 2jqz n SER 72 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jqz s ASP 73 N -3.50 6.17 0.09 4.04 -1.08 -1.15 -4.95 116.67 116.28 2jqz s ASP 73 Ca 0.45 0.66 -0.09 0.00 -0.52 0.00 0.00 52.55 53.05 2jqz s ASP 73 Cb 0.41 -2.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.83 2jqz s ASP 73 CO -0.14 -0.53 0.21 -0.44 0.52 0.00 0.00 175.17 174.79 2jqz s SER 74 N -4.11 0.09 -0.03 -0.34 0.01 -1.26 -3.45 113.70 104.61 2jqz s SER 74 Ca 0.45 -0.61 0.05 0.00 1.31 0.00 0.00 55.95 57.15 2jqz s SER 74 Cb -0.10 0.35 -0.01 0.00 0.21 0.00 0.00 66.02 66.47 2jqz s SER 74 CO 0.41 -0.73 -0.18 -0.69 0.41 0.00 0.00 173.24 172.46 2jqz s VAL 75 N -3.78 1.45 -0.17 3.43 1.01 -0.66 -3.07 120.40 118.61 2jqz s VAL 75 Ca 0.04 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 2jqz s VAL 75 Cb 0.04 -1.23 0.04 0.00 0.00 0.00 0.00 36.38 35.24 2jqz s VAL 75 CO -0.11 0.41 -0.04 -0.89 0.00 0.00 0.00 175.10 174.47 2jqz s THR 76 N -0.17 1.09 -0.22 3.92 2.01 -0.99 -1.66 115.64 119.61 2jqz s THR 76 Ca 0.01 -0.66 -0.14 0.00 0.31 0.00 0.00 61.69 61.21 2jqz s THR 76 Cb -0.10 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 2jqz s THR 76 CO 0.01 0.09 0.31 -0.63 -0.69 0.00 0.00 174.62 173.71 2jqz s ILE 77 N 1.64 5.25 0.28 1.82 1.01 -0.09 -2.30 121.20 128.81 2jqz s ILE 77 Ca 0.00 0.50 0.09 0.00 0.00 0.00 0.00 60.65 61.25 2jqz s ILE 77 Cb -0.16 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 2jqz s ILE 77 CO -0.08 0.27 0.02 -0.94 0.00 0.00 0.00 174.94 174.22 2jqz s SER 78 N 1.12 4.57 -0.09 3.58 1.04 -0.48 0.08 113.70 123.53 2jqz s SER 78 Ca 0.14 -0.67 -0.01 0.00 0.48 0.00 0.00 55.95 55.90 2jqz s SER 78 Cb -0.14 -0.83 0.03 0.00 0.10 0.00 0.00 66.02 65.17 2jqz s SER 78 CO 0.07 -0.06 -0.04 -0.69 0.98 0.00 0.00 173.24 173.50 2jqz s VAL 79 N -2.34 0.69 0.18 5.02 1.01 0.91 -0.69 120.40 125.17 2jqz s VAL 79 Ca 0.33 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.31 2jqz s VAL 79 Cb -0.06 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2jqz s VAL 79 CO 0.20 0.31 -0.13 0.26 0.00 0.00 0.00 175.10 175.74 2jqz s TRP 80 N 1.72 2.57 -0.72 5.22 0.52 -0.77 -1.42 118.94 126.07 2jqz s TRP 80 Ca 0.03 -0.25 -0.20 0.00 0.02 0.00 0.00 56.10 55.70 2jqz s TRP 80 Cb -0.13 -1.27 0.10 0.00 -1.15 0.00 0.00 33.47 31.03 2jqz s TRP 80 CO -0.06 0.50 0.91 1.21 0.02 0.00 0.00 176.95 179.54 2jqz s ASN 81 N -2.76 6.32 0.30 2.95 3.04 0.61 -1.63 114.94 123.77 2jqz s ASN 81 Ca 0.24 -1.49 0.02 0.00 0.04 0.00 0.00 52.86 51.67 2jqz s ASN 81 Cb -0.09 -2.37 0.74 0.00 -1.54 0.00 0.00 41.25 37.99 2jqz s ASN 81 CO 0.14 -1.20 1.60 -0.74 -3.04 0.00 0.00 177.10 173.86 2jqz h HIS 82 N 9.17 0.10 -0.09 0.43 -0.00 -1.38 0.44 115.15 123.82 2jqz h HIS 82 Ca -0.16 0.06 0.03 0.00 -0.00 0.00 0.00 60.37 60.30 2jqz h HIS 82 Cb 1.06 0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 28.55 2jqz h HIS 82 CO 0.98 -0.36 -0.10 -0.22 -0.00 0.00 0.00 177.93 178.24 2jqz h LYS 83 N 0.07 -0.12 0.00 5.26 3.64 -1.92 -2.75 116.57 120.75 2jqz h LYS 83 Ca 0.58 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.92 2jqz h LYS 83 Cb 1.20 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 2jqz h LYS 83 CO -0.82 -0.08 -0.22 -0.22 -2.27 0.00 0.00 179.45 175.84 2jqz h LYS 84 N -0.12 0.00 0.00 1.90 1.63 -1.00 -2.05 116.57 116.93 2jqz h LYS 84 Ca 0.07 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.85 2jqz h LYS 84 Cb 0.22 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2jqz h LYS 84 CO -0.16 0.22 -0.09 -0.84 -3.45 0.00 0.00 179.45 175.13 2jqz h ILE 85 N 0.00 0.85 0.00 2.00 3.07 -0.01 0.45 117.51 123.87 2jqz h ILE 85 Ca -0.00 -0.32 -0.10 0.00 1.55 0.00 0.00 64.86 65.99 2jqz h ILE 85 Cb 1.15 1.18 -0.02 0.00 -0.27 0.00 0.00 36.82 38.86 2jqz h ILE 85 CO 0.03 0.08 -0.91 0.45 -1.05 0.00 0.00 178.15 176.76 2jqz h HIS 86 N 0.00 0.00 0.00 0.16 3.86 -1.29 -3.27 115.15 114.61 2jqz h HIS 86 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2jqz h HIS 86 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 2jqz h HIS 86 CO 0.00 0.39 0.10 1.17 0.86 0.00 0.00 177.93 180.46 2jqz n LYS 87 N -2.98 0.02 -0.53 2.45 3.00 0.16 -4.93 118.16 115.34 2jqz n LYS 87 Ca -0.03 0.44 0.07 0.00 -0.00 0.00 0.00 58.31 58.79 2jqz n LYS 87 Cb 0.72 -1.66 -0.02 0.00 0.00 0.00 0.00 35.03 34.07 2jqz n LYS 87 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2jqz n LYS 88 N -1.52 -1.14 0.00 1.64 3.00 -1.13 -4.91 118.16 114.10 2jqz n LYS 88 Ca -0.00 0.82 0.00 0.00 -0.00 0.00 0.00 58.31 59.13 2jqz n LYS 88 Cb 0.11 -1.36 0.00 0.00 0.00 0.00 0.00 35.03 33.77 2jqz n LYS 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2jqz n GLN 89 N -2.89 0.00 0.23 1.64 6.02 -1.26 -2.79 117.38 118.33 2jqz n GLN 89 Ca -0.01 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.11 2jqz n GLN 89 Cb 0.25 0.00 0.69 0.00 1.02 0.00 0.00 30.24 32.19 2jqz n GLN 89 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2jqz h GLY 90 N 0.00 0.00 -4.76 1.08 0.00 -1.95 -3.43 103.07 94.01 2jqz h GLY 90 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 2jqz h GLY 90 CO 0.00 0.00 0.86 0.00 0.00 0.00 0.00 176.54 177.40 2jqz n ALA 91 N -1.79 1.95 0.00 3.60 0.00 -1.12 -4.14 120.51 119.01 2jqz n ALA 91 Ca -0.02 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2jqz n ALA 91 Cb 0.19 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.23 2jqz n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jqz n GLY 92 N 3.32 -0.72 3.89 0.00 0.00 -1.19 -3.63 105.19 106.86 2jqz n GLY 92 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 2jqz n GLY 92 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jqz s PHE 93 N -0.26 3.35 0.00 1.61 5.36 -1.26 -0.29 117.98 126.49 2jqz s PHE 93 Ca 0.00 0.04 0.00 0.00 -0.96 0.00 0.00 56.93 56.01 2jqz s PHE 93 Cb 0.00 -1.58 0.00 0.00 -0.34 0.00 0.00 43.02 41.10 2jqz s PHE 93 CO 0.00 0.51 0.00 1.28 -1.46 0.00 0.00 175.22 175.55 2jqz n LEU 94 N -0.66 -0.00 0.00 6.12 4.77 -0.79 -4.36 117.00 122.09 2jqz n LEU 94 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2jqz n LEU 94 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2jqz n LEU 94 CO 0.46 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 2jqz n GLY 95 N 1.67 0.57 3.49 -0.72 0.00 -0.51 -4.35 105.19 105.35 2jqz n GLY 95 Ca 0.00 0.58 -0.36 0.00 0.00 0.00 0.00 46.02 46.25 2jqz n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqz s VAL 97 N 1.20 4.79 -0.08 0.00 0.11 0.11 -4.64 120.40 121.88 2jqz s VAL 97 Ca 0.04 -0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.11 2jqz s VAL 97 Cb -0.14 -3.18 -0.01 0.00 -1.53 0.00 0.00 36.38 31.51 2jqz s VAL 97 CO 0.03 0.42 -0.22 -0.60 -3.33 0.00 0.00 175.10 171.40 2jqz s ARG 98 N 0.73 2.85 -0.08 1.54 3.52 -1.26 -0.91 118.95 125.33 2jqz s ARG 98 Ca 0.04 -0.85 0.01 0.00 -0.13 0.00 0.00 55.73 54.81 2jqz s ARG 98 Cb -0.13 -2.30 0.02 0.00 -1.56 0.00 0.00 34.95 30.98 2jqz s ARG 98 CO 0.02 0.31 -0.09 -0.51 -0.81 0.00 0.00 175.30 174.21 2jqz s LEU 99 N 0.04 1.41 0.00 -0.88 1.43 -0.66 -5.02 118.68 115.00 2jqz s LEU 99 Ca -0.09 -0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 52.70 2jqz s LEU 99 Cb -0.15 -0.78 0.06 0.00 0.03 0.00 0.00 46.19 45.35 2jqz s LEU 99 CO 0.06 -0.04 0.40 0.18 0.23 0.00 0.00 176.35 177.17 2jqz n LEU 100 N 4.30 0.00 -0.07 1.79 4.77 -1.26 -1.66 117.00 124.87 2jqz n LEU 100 Ca -0.19 -0.54 -0.11 0.00 -0.03 0.00 0.00 56.01 55.14 2jqz n LEU 100 Cb 0.51 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 2jqz n LEU 100 CO 0.21 -0.76 0.76 0.77 -1.33 0.00 0.00 177.39 177.04 2jqz h SER 101 N -0.45 0.38 -0.64 -1.43 4.64 -1.92 0.23 113.55 114.36 2jqz h SER 101 Ca -0.13 -0.31 -0.09 0.00 -0.47 0.00 0.00 61.79 60.80 2jqz h SER 101 Cb 0.39 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 2jqz h SER 101 CO 0.10 0.60 0.06 -0.55 -0.87 0.00 0.00 176.83 176.17 2jqz h ASN 102 N 0.15 1.05 -0.54 4.97 7.08 -1.94 -2.44 115.58 123.91 2jqz h ASN 102 Ca 0.06 -0.28 -0.09 0.00 -3.08 0.00 0.00 56.30 52.91 2jqz h ASN 102 Cb 0.40 -0.28 -0.02 0.00 -2.08 0.00 0.00 38.32 36.34 2jqz h ASN 102 CO 0.01 1.07 -0.02 0.00 -2.08 0.00 0.00 177.43 176.41 2jqz h ALA 103 N 1.02 0.73 -0.73 4.14 0.00 -1.90 -2.77 119.26 119.75 2jqz h ALA 103 Ca 0.19 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2jqz h ALA 103 Cb 0.49 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2jqz h ALA 103 CO 0.02 0.57 0.48 0.82 0.00 0.00 0.00 179.25 181.14 2jqz h ILE 104 N 0.84 1.14 0.32 0.00 5.03 -0.26 0.15 117.51 124.72 2jqz h ILE 104 Ca 0.15 -0.32 -0.02 0.00 -0.12 0.00 0.00 64.86 64.56 2jqz h ILE 104 Cb 0.56 0.14 0.00 0.00 -3.03 0.00 0.00 36.82 34.49 2jqz h ILE 104 CO 0.03 0.17 -0.15 -1.13 -0.68 0.00 0.00 178.15 176.39 2jqz h ASN 105 N 0.92 -0.36 -0.84 1.72 -1.24 -1.26 0.39 115.58 114.92 2jqz h ASN 105 Ca 0.28 -0.18 0.03 0.00 0.71 0.00 0.00 56.30 57.14 2jqz h ASN 105 Cb -0.01 0.09 -0.05 0.00 0.73 0.00 0.00 38.32 39.08 2jqz h ASN 105 CO -0.07 0.08 0.54 0.03 -1.29 0.00 0.00 177.43 176.72 2jqz h ARG 106 N -0.91 1.02 -0.21 6.67 3.08 -1.34 -2.43 114.38 120.26 2jqz h ARG 106 Ca -0.04 -0.06 -0.20 0.00 0.07 0.00 0.00 59.98 59.75 2jqz h ARG 106 Cb 0.52 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.34 2jqz h ARG 106 CO 0.07 0.68 -0.64 -0.07 -1.07 0.00 0.00 179.97 178.94 2jqz h LEU 107 N 1.06 0.93 -1.91 3.04 3.38 -0.77 -2.67 115.31 118.38 2jqz h LEU 107 Ca 0.33 -0.58 0.23 0.00 0.09 0.00 0.00 57.88 57.95 2jqz h LEU 107 Cb -0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 2jqz h LEU 107 CO -0.11 1.35 0.59 0.07 0.09 0.00 0.00 178.44 180.44 2jqz h LYS 108 N 0.56 0.07 0.00 1.13 2.10 0.29 0.12 116.57 120.84 2jqz h LYS 108 Ca -0.02 -0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.35 2jqz h LYS 108 Cb 1.27 -0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 32.53 2jqz h LYS 108 CO 0.14 0.05 -1.75 -0.25 -2.00 0.00 0.00 179.45 175.64 2jqz n ASP 109 N -4.33 0.75 0.11 7.07 8.00 -1.13 -3.00 116.55 124.02 2jqz n ASP 109 Ca 0.17 0.35 -0.09 0.00 0.71 0.00 0.00 54.79 55.94 2jqz n ASP 109 Cb 0.86 0.13 -0.05 0.00 -0.02 0.00 0.00 41.12 42.03 2jqz n ASP 109 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2jqz h THR 110 N 0.00 0.00 0.00 -3.53 1.35 -0.41 -3.47 112.91 106.85 2jqz h THR 110 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2jqz h THR 110 Cb 1.96 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 2jqz h THR 110 CO 0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 2jqz n GLY 111 N -1.28 1.01 3.15 5.82 0.00 -1.04 -4.96 105.19 107.89 2jqz n GLY 111 Ca -0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.02 2jqz n GLY 111 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jqz s TYR 112 N -2.00 -0.08 -0.09 1.61 2.02 -1.26 -4.27 117.35 113.28 2jqz s TYR 112 Ca 0.00 0.06 0.01 0.00 -0.37 0.00 0.00 57.07 56.77 2jqz s TYR 112 Cb 0.00 0.02 0.02 0.00 -0.40 0.00 0.00 41.96 41.60 2jqz s TYR 112 CO 0.00 -0.05 -0.10 -0.65 -1.57 0.00 0.00 175.55 173.18 2jqz s GLN 113 N 2.99 1.63 -0.49 -0.62 -1.52 0.51 -4.93 119.66 117.23 2jqz s GLN 113 Ca 0.12 -0.34 -0.15 0.00 -1.95 0.00 0.00 55.36 53.04 2jqz s GLN 113 Cb -0.04 -1.51 0.09 0.00 -0.22 0.00 0.00 33.01 31.33 2jqz s GLN 113 CO -0.15 -0.12 0.42 -0.98 -0.25 0.00 0.00 175.29 174.21 2jqz s ARG 114 N 1.18 2.96 -0.22 2.91 1.70 -1.26 -1.21 118.95 125.02 2jqz s ARG 114 Ca -0.05 -1.45 -0.12 0.00 -0.47 0.00 0.00 55.73 53.65 2jqz s ARG 114 Cb -0.14 -4.16 -0.05 0.00 -0.57 0.00 0.00 34.95 30.03 2jqz s ARG 114 CO -0.02 -1.10 0.21 -0.51 -1.08 0.00 0.00 175.30 172.80 2jqz s LEU 115 N 1.62 4.15 0.11 -1.89 2.01 0.48 -4.86 118.68 120.29 2jqz s LEU 115 Ca 0.04 0.24 -0.31 0.00 0.01 0.00 0.00 54.13 54.11 2jqz s LEU 115 Cb -0.26 -2.21 -0.10 0.00 0.01 0.00 0.00 46.19 43.64 2jqz s LEU 115 CO 0.06 0.06 1.73 -1.81 1.01 0.00 0.00 176.35 177.39 2jqz s ASP 116 N 0.90 6.50 -0.69 2.29 1.11 -1.26 -1.11 116.67 124.41 2jqz s ASP 116 Ca 0.11 2.65 -0.25 0.00 0.18 0.00 0.00 52.55 55.24 2jqz s ASP 116 Cb -0.13 -2.57 0.05 0.00 1.07 0.00 0.00 42.92 41.33 2jqz s ASP 116 CO 0.04 -0.94 1.13 -0.76 1.18 0.00 0.00 175.17 175.82 2jqz s LEU 117 N 2.45 3.73 0.37 1.23 1.43 0.15 -4.86 118.68 123.18 2jqz s LEU 117 Ca 0.77 -0.65 0.06 0.00 -1.03 0.00 0.00 54.13 53.28 2jqz s LEU 117 Cb -0.44 -2.54 -0.07 0.00 0.03 0.00 0.00 46.19 43.17 2jqz s LEU 117 CO 0.34 -1.63 0.01 0.00 0.23 0.00 0.00 176.35 175.31 2jqz s LYS 119 N -3.77 0.55 0.54 0.00 0.00 -1.26 -3.69 119.74 112.12 2jqz s LYS 119 Ca 0.35 1.36 0.21 0.00 0.00 0.00 0.00 55.97 57.88 2jqz s LYS 119 Cb 0.09 -1.69 1.40 0.00 0.00 0.00 0.00 37.83 37.63 2jqz s LYS 119 CO 0.17 -2.88 2.12 -0.07 0.00 0.00 0.00 175.35 174.69 2jqz h LEU 120 N -2.05 0.00 0.00 2.77 -0.00 -1.98 -3.47 115.31 110.58 2jqz h LEU 120 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 2jqz h LEU 120 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.94 2jqz h LEU 120 CO 0.44 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.49 2jqz n GLY 121 N -1.52 -2.12 0.03 0.83 0.00 -1.26 -4.98 105.19 96.17 2jqz n GLY 121 Ca 0.00 -1.19 0.14 0.00 0.00 0.00 0.00 46.02 44.97 2jqz n GLY 121 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jqz n PRO 122 N -0.54 0.08 -0.22 1.61 -0.04 -1.26 -3.61 135.00 131.02 2jqz n PRO 122 Ca 0.00 0.06 -0.01 0.00 -0.04 0.00 0.00 63.50 63.51 2jqz n PRO 122 Cb 0.00 -1.59 0.07 0.00 -0.04 0.00 0.00 33.50 31.94 2jqz n PRO 122 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2jqz n ASN 123 N -1.73 2.46 -3.68 3.54 3.02 -1.26 -4.83 115.26 112.78 2jqz n ASN 123 Ca 0.06 -2.26 -0.22 0.00 -0.03 0.00 0.00 54.58 52.14 2jqz n ASN 123 Cb 0.37 -0.55 -0.08 0.00 -0.61 0.00 0.00 39.78 38.90 2jqz n ASN 123 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2jqz s ASP 124 N 0.09 2.05 0.58 6.41 2.15 -1.24 -5.01 116.67 121.69 2jqz s ASP 124 Ca 0.12 -1.72 0.28 0.00 0.43 0.00 0.00 52.55 51.66 2jqz s ASP 124 Cb 0.10 0.54 1.51 0.00 -0.30 0.00 0.00 42.92 44.77 2jqz s ASP 124 CO 0.03 -1.01 1.97 -0.55 -0.17 0.00 0.00 175.17 175.44 2jqz h ASN 125 N 2.02 0.00 -5.07 -0.34 7.08 -1.88 -3.47 115.58 113.92 2jqz h ASN 125 Ca -0.29 0.00 0.01 0.00 -3.08 0.00 0.00 56.30 52.93 2jqz h ASN 125 Cb 1.25 0.00 -0.09 0.00 -2.08 0.00 0.00 38.32 37.40 2jqz h ASN 125 CO 0.45 0.00 -1.26 -0.67 -2.08 0.00 0.00 177.43 173.86 2jqz n ASP 126 N -3.87 -2.82 -3.05 6.14 2.03 -1.26 -5.03 116.55 108.69 2jqz n ASP 126 Ca 0.07 1.39 -0.17 0.00 0.52 0.00 0.00 54.79 56.61 2jqz n ASP 126 Cb 0.57 -4.70 -0.03 0.00 -0.72 0.00 0.00 41.12 36.24 2jqz n ASP 126 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2jqz n THR 127 N 1.87 -0.53 -4.29 5.18 -2.24 -1.26 -5.13 114.28 107.88 2jqz n THR 127 Ca -0.29 -2.61 -0.16 0.00 -2.27 0.00 0.00 64.05 58.72 2jqz n THR 127 Cb 0.45 -0.43 -0.09 0.00 -2.10 0.00 0.00 70.33 68.15 2jqz n THR 127 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jqz s VAL 128 N 0.04 0.24 0.00 2.28 0.11 -1.26 -4.86 120.40 116.95 2jqz s VAL 128 Ca 0.33 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.38 2jqz s VAL 128 Cb 0.11 -2.53 0.00 0.00 -1.53 0.00 0.00 36.38 32.43 2jqz s VAL 128 CO -0.15 0.00 0.00 -1.14 -3.33 0.00 0.00 175.10 170.48 2jqz n ARG 129 N -0.47 0.00 -3.09 1.54 0.63 -1.25 -4.95 116.66 109.06 2jqz n ARG 129 Ca 0.02 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.75 2jqz n ARG 129 Cb 0.65 0.00 0.06 0.00 0.45 0.00 0.00 32.46 33.62 2jqz n ARG 129 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2jqz s GLY 130 N 0.00 1.75 0.32 5.14 0.00 -0.88 -4.72 107.32 108.92 2jqz s GLY 130 Ca 0.00 -2.14 0.02 0.00 0.00 0.00 0.00 44.72 42.60 2jqz s GLY 130 CO 0.00 -1.73 0.36 1.20 0.00 0.00 0.00 173.10 172.93 2jqz s GLN 131 N -4.68 1.78 -0.27 2.90 1.11 0.31 0.35 119.66 121.16 2jqz s GLN 131 Ca 0.61 -1.86 -0.20 0.00 0.01 0.00 0.00 55.36 53.92 2jqz s GLN 131 Cb -0.05 0.38 0.07 0.00 -1.01 0.00 0.00 33.01 32.40 2jqz s GLN 131 CO 0.38 -0.69 0.69 -1.50 0.01 0.00 0.00 175.29 174.18 2jqz s ILE 132 N -3.34 -0.00 -0.27 1.08 2.07 -0.27 -0.74 121.20 119.72 2jqz s ILE 132 Ca 0.36 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.52 2jqz s ILE 132 Cb 0.01 -0.98 -0.02 0.00 0.13 0.00 0.00 42.46 41.61 2jqz s ILE 132 CO 0.23 0.00 0.10 -0.69 -1.91 0.00 0.00 174.94 172.67 2jqz s VAL 133 N 1.05 4.37 0.37 4.00 1.01 0.60 -0.39 120.40 131.41 2jqz s VAL 133 Ca -0.05 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.64 2jqz s VAL 133 Cb -0.05 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 2jqz s VAL 133 CO -0.10 0.22 0.06 1.33 0.00 0.00 0.00 175.10 176.61 2jqz n VAL 134 N 4.94 0.00 -3.75 2.92 0.24 -0.35 -2.14 118.33 120.20 2jqz n VAL 134 Ca -0.15 -1.91 -0.14 0.00 -2.04 0.00 0.00 64.34 60.09 2jqz n VAL 134 Cb 0.50 0.53 -0.15 0.00 -1.47 0.00 0.00 33.84 33.25 2jqz n VAL 134 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2jqz s SER 135 N -3.13 0.05 -0.31 -1.34 1.04 -0.26 -0.36 113.70 109.39 2jqz s SER 135 Ca 0.08 0.21 -0.08 0.00 0.48 0.00 0.00 55.95 56.64 2jqz s SER 135 Cb 0.00 0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.23 2jqz s SER 135 CO 0.06 -0.15 0.11 -0.76 0.98 0.00 0.00 173.24 173.47 2jqz s LEU 136 N 1.26 3.99 -0.06 2.42 2.01 -1.26 -0.82 118.68 126.22 2jqz s LEU 136 Ca -0.08 -0.71 -0.05 0.00 0.01 0.00 0.00 54.13 53.31 2jqz s LEU 136 Cb -0.12 -1.92 0.02 0.00 0.01 0.00 0.00 46.19 44.18 2jqz s LEU 136 CO -0.05 -0.21 0.15 -1.58 1.01 0.00 0.00 176.35 175.67 2jqz s GLN 137 N 1.52 0.16 0.13 1.70 0.74 -1.09 -2.51 119.66 120.30 2jqz s GLN 137 Ca 0.03 0.23 -0.30 0.00 0.05 0.00 0.00 55.36 55.37 2jqz s GLN 137 Cb -0.17 0.04 -0.06 0.00 1.10 0.00 0.00 33.01 33.91 2jqz s GLN 137 CO 0.04 -0.05 0.95 -1.54 -0.55 0.00 0.00 175.29 174.14 2jqz s SER 138 N 0.27 7.51 0.21 6.67 1.04 -1.23 -2.34 113.70 125.83 2jqz s SER 138 Ca -0.02 1.80 -0.08 0.00 0.48 0.00 0.00 55.95 58.13 2jqz s SER 138 Cb -0.03 -2.59 -0.07 0.00 0.10 0.00 0.00 66.02 63.44 2jqz s SER 138 CO -0.01 -0.03 0.51 -0.13 0.98 0.00 0.00 173.24 174.56 2jqz s ARG 139 N -0.18 3.76 0.00 4.02 1.81 -0.36 -4.93 118.95 123.07 2jqz s ARG 139 Ca 0.46 0.19 0.12 0.00 -1.72 0.00 0.00 55.73 54.77 2jqz s ARG 139 Cb -0.24 -2.69 0.71 0.00 -0.45 0.00 0.00 34.95 32.29 2jqz s ARG 139 CO 0.30 0.34 1.15 -0.40 -0.68 0.00 0.00 175.30 176.01