#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 1.52 -0.09 1.61 0.02 -1.26 -5.00 135.00 131.79 2jqz s PRO 11 Ca 0.00 0.98 -0.02 0.00 0.02 0.00 0.00 61.00 61.98 2jqz s PRO 11 Cb 0.00 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.66 2jqz s PRO 11 CO 0.00 -2.10 0.00 0.14 -0.33 0.00 0.00 177.00 174.71 2jqz s VAL 12 N -2.90 4.33 -0.59 3.83 -7.23 -0.99 -4.78 120.40 112.06 2jqz s VAL 12 Ca 0.63 -0.24 -0.21 0.00 -1.81 0.00 0.00 61.98 60.35 2jqz s VAL 12 Cb -0.18 -2.83 0.07 0.00 0.56 0.00 0.00 36.38 34.00 2jqz s VAL 12 CO 0.57 0.60 0.84 -0.75 -0.31 0.00 0.00 175.10 176.05 2jqz s LYS 13 N -0.82 3.14 -0.16 4.82 2.20 -1.26 -0.39 119.74 127.26 2jqz s LYS 13 Ca 0.13 -0.83 -0.08 0.00 -0.36 0.00 0.00 55.97 54.83 2jqz s LYS 13 Cb -0.11 -4.17 -0.04 0.00 -1.51 0.00 0.00 37.83 31.99 2jqz s LYS 13 CO 0.02 -1.58 0.12 -1.17 -0.36 0.00 0.00 175.35 172.39 2jqz s LEU 14 N 3.49 4.22 -0.20 5.43 1.98 -0.22 -0.94 118.68 132.42 2jqz s LEU 14 Ca 0.20 0.31 -0.02 0.00 -2.89 0.00 0.00 54.13 51.73 2jqz s LEU 14 Cb -0.18 -2.06 -0.00 0.00 0.66 0.00 0.00 46.19 44.61 2jqz s LEU 14 CO 0.12 0.28 -0.09 0.00 -1.89 0.00 0.00 176.35 174.76 2jqz s ARG 15 N -0.23 3.27 -0.36 1.98 1.70 -1.00 -1.64 118.95 122.67 2jqz s ARG 15 Ca 0.10 -0.69 -0.16 0.00 -0.47 0.00 0.00 55.73 54.52 2jqz s ARG 15 Cb -0.12 -2.86 -0.00 0.00 -0.57 0.00 0.00 34.95 31.40 2jqz s ARG 15 CO 0.01 -0.17 0.41 -1.17 -1.08 0.00 0.00 175.30 173.29 2jqz s LEU 16 N 1.35 4.53 -0.44 -1.89 2.96 -0.71 -2.78 118.68 121.70 2jqz s LEU 16 Ca 0.04 -0.31 -0.20 0.00 -0.22 0.00 0.00 54.13 53.44 2jqz s LEU 16 Cb -0.14 -2.39 0.03 0.00 0.50 0.00 0.00 46.19 44.18 2jqz s LEU 16 CO -0.05 -0.43 0.59 -0.89 -1.32 0.00 0.00 176.35 174.25 2jqz s THR 17 N 2.12 4.90 -0.97 3.68 2.01 -0.23 -1.86 115.64 125.28 2jqz s THR 17 Ca 0.13 -0.08 -0.22 0.00 0.31 0.00 0.00 61.69 61.82 2jqz s THR 17 Cb -0.16 -4.18 0.07 0.00 0.01 0.00 0.00 72.50 68.24 2jqz s THR 17 CO 0.12 -0.58 1.35 -0.69 -0.69 0.00 0.00 174.62 174.13 2jqz s VAL 18 N 2.62 4.11 0.01 3.82 1.01 0.26 -0.95 120.40 131.28 2jqz s VAL 18 Ca 0.19 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 61.06 2jqz s VAL 18 Cb -0.15 -4.97 -0.14 0.00 0.00 0.00 0.00 36.38 31.12 2jqz s VAL 18 CO 0.17 -1.82 1.06 0.25 0.00 0.00 0.00 175.10 174.76 2jqz h LEU 19 N 12.20 -0.76 -7.90 3.92 5.85 -1.58 -2.01 115.31 125.03 2jqz h LEU 19 Ca 0.14 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.98 2jqz h LEU 19 Cb 1.02 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 2jqz h LEU 19 CO 1.33 -0.39 0.36 0.00 -0.34 0.00 0.00 178.44 179.40 2jqz s ALA 21 N -3.14 1.53 0.30 0.00 0.00 -1.19 -0.19 121.76 119.08 2jqz s ALA 21 Ca 0.14 -1.16 0.09 0.00 0.00 0.00 0.00 51.96 51.03 2jqz s ALA 21 Cb -0.04 -0.17 -0.06 0.00 0.00 0.00 0.00 23.12 22.85 2jqz s ALA 21 CO 0.06 0.26 -0.13 0.15 0.00 0.00 0.00 175.76 176.11 2jqz s LYS 22 N -1.93 1.67 -1.15 0.00 -0.14 0.54 -3.33 119.74 115.41 2jqz s LYS 22 Ca 0.03 -1.82 -0.29 0.00 -1.36 0.00 0.00 55.97 52.54 2jqz s LYS 22 Cb -0.09 -1.55 0.04 0.00 -1.68 0.00 0.00 37.83 34.54 2jqz s LYS 22 CO 0.03 0.18 0.67 -1.71 -0.76 0.00 0.00 175.35 173.77 2jqz n ASN 23 N -0.65 -4.31 -4.66 2.83 4.05 -1.13 -0.75 115.26 110.65 2jqz n ASN 23 Ca -0.05 -1.24 -0.43 0.00 0.45 0.00 0.00 54.58 53.31 2jqz n ASN 23 Cb 0.62 -1.71 -0.02 0.00 1.23 0.00 0.00 39.78 39.89 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 -7.01 4.17 -0.25 1.20 2.01 -0.71 -2.11 118.68 115.98 2jqz s LEU 24 Ca 0.41 1.66 -0.33 0.00 0.01 0.00 0.00 54.13 55.87 2jqz s LEU 24 Cb -0.22 -3.54 -0.10 0.00 0.01 0.00 0.00 46.19 42.34 2jqz s LEU 24 CO 0.96 -0.76 2.11 0.55 1.01 0.00 0.00 176.35 180.21 2jqz n VAL 25 N 5.40 0.33 0.15 -1.59 3.14 -1.26 -4.74 118.33 119.75 2jqz n VAL 25 Ca 0.14 -0.27 0.02 0.00 -2.96 0.00 0.00 64.34 61.27 2jqz n VAL 25 Cb 0.45 -1.92 0.08 0.00 -1.06 0.00 0.00 33.84 31.39 2jqz n VAL 25 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 2jqz n LYS 26 N 7.87 0.05 0.00 1.45 2.85 -1.26 -4.63 118.16 124.48 2jqz n LYS 26 Ca 0.33 0.23 0.00 0.00 -1.05 0.00 0.00 58.31 57.82 2jqz n LYS 26 Cb 0.30 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.18 2jqz n LYS 26 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2jqz n LYS 27 N -1.26 0.00 -4.03 -1.58 4.76 -1.26 -4.24 118.16 110.55 2jqz n LYS 27 Ca 0.02 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.11 2jqz n LYS 27 Cb 0.02 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.12 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 -3.46 5.64 0.50 4.39 1.11 -1.26 -5.07 116.67 118.51 2jqz s ASP 28 Ca 0.00 0.11 -0.21 0.00 0.18 0.00 0.00 52.55 52.63 2jqz s ASP 28 Cb 0.00 -1.93 -0.08 0.00 1.07 0.00 0.00 42.92 41.98 2jqz s ASP 28 CO 0.00 0.21 0.94 0.49 1.18 0.00 0.00 175.17 177.99 2jqz n PHE 29 N 3.31 0.85 0.00 4.23 3.72 -1.26 -0.93 117.46 127.38 2jqz n PHE 29 Ca -0.17 0.50 0.00 0.00 -0.05 0.00 0.00 57.45 57.73 2jqz n PHE 29 Cb 0.52 -2.17 0.00 0.00 -0.94 0.00 0.00 39.48 36.90 2jqz n PHE 29 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2jqz n PHE 30 N -1.06 0.00 -2.58 1.38 7.35 -1.26 -4.91 117.46 116.38 2jqz n PHE 30 Ca 0.11 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.57 2jqz n PHE 30 Cb 0.43 -0.07 0.04 0.00 0.35 0.00 0.00 39.48 40.23 2jqz n PHE 30 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2jqz s ARG 31 N 0.00 2.57 0.02 -4.13 0.52 -0.11 -5.12 118.95 112.71 2jqz s ARG 31 Ca 0.00 -0.57 0.02 0.00 -0.52 0.00 0.00 55.73 54.66 2jqz s ARG 31 Cb 0.00 -2.42 -0.02 0.00 0.52 0.00 0.00 34.95 33.04 2jqz s ARG 31 CO 0.00 -0.76 -0.08 -0.51 0.02 0.00 0.00 175.30 173.97 2jqz s LEU 32 N -4.85 2.15 0.35 2.53 2.01 -1.26 -4.65 118.68 114.96 2jqz s LEU 32 Ca 0.56 -0.37 0.01 0.00 0.01 0.00 0.00 54.13 54.35 2jqz s LEU 32 Cb -0.10 -0.27 -0.03 0.00 0.01 0.00 0.00 46.19 45.80 2jqz s LEU 32 CO 0.40 -0.07 0.54 -2.16 1.01 0.00 0.00 176.35 176.07 2jqz s PRO 33 N -0.97 3.39 -0.68 1.29 0.04 -1.26 -4.68 135.00 132.13 2jqz s PRO 33 Ca -0.04 -0.46 0.04 0.00 0.04 0.00 0.00 61.00 60.58 2jqz s PRO 33 Cb -0.07 -2.68 0.17 0.00 0.04 0.00 0.00 34.50 31.96 2jqz s PRO 33 CO 0.00 0.11 0.47 -0.51 0.04 0.00 0.00 177.00 177.11 2jqz s ASP 34 N -4.07 4.87 0.42 6.66 1.11 -1.26 -1.93 116.67 122.47 2jqz s ASP 34 Ca 0.41 -3.59 -0.26 0.00 0.18 0.00 0.00 52.55 49.29 2jqz s ASP 34 Cb -0.10 -1.68 -0.09 0.00 1.07 0.00 0.00 42.92 42.13 2jqz s ASP 34 CO 0.35 -0.15 1.33 -2.16 1.18 0.00 0.00 175.17 175.72 2jqz s PRO 35 N -1.09 3.89 0.21 8.23 0.04 -1.19 -1.08 135.00 144.02 2jqz s PRO 35 Ca 0.23 2.20 -0.13 0.00 0.04 0.00 0.00 61.00 63.34 2jqz s PRO 35 Cb -0.11 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.71 2jqz s PRO 35 CO -0.11 -0.57 0.45 -0.59 0.04 0.00 0.00 177.00 176.21 2jqz s PHE 36 N -1.26 0.23 0.15 0.56 -0.71 -0.80 -0.15 117.98 116.01 2jqz s PHE 36 Ca 0.58 -0.59 0.10 0.00 -1.04 0.00 0.00 56.93 55.97 2jqz s PHE 36 Cb -0.39 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.57 2jqz s PHE 36 CO 0.50 -0.91 -0.22 0.00 -1.34 0.00 0.00 175.22 173.25 2jqz s ALA 37 N -3.97 2.17 -0.14 1.99 0.00 -1.14 -1.86 121.76 118.82 2jqz s ALA 37 Ca 0.17 -1.47 -0.05 0.00 0.00 0.00 0.00 51.96 50.61 2jqz s ALA 37 Cb 0.00 -0.27 0.07 0.00 0.00 0.00 0.00 23.12 22.92 2jqz s ALA 37 CO 0.04 0.37 0.28 0.15 0.00 0.00 0.00 175.76 176.60 2jqz s LYS 38 N -2.43 0.17 0.13 0.00 1.02 0.64 0.04 119.74 119.32 2jqz s LYS 38 Ca 0.15 0.77 -0.03 0.00 0.02 0.00 0.00 55.97 56.87 2jqz s LYS 38 Cb -0.08 -0.02 -0.05 0.00 -0.52 0.00 0.00 37.83 37.16 2jqz s LYS 38 CO 0.07 -0.30 0.35 0.54 -0.92 0.00 0.00 175.35 175.09 2jqz s VAL 39 N 2.45 5.21 0.01 3.17 0.11 0.08 -0.36 120.40 131.07 2jqz s VAL 39 Ca 0.01 -0.08 0.03 0.00 -2.93 0.00 0.00 61.98 59.01 2jqz s VAL 39 Cb -0.12 -3.63 -0.01 0.00 -1.53 0.00 0.00 36.38 31.08 2jqz s VAL 39 CO -0.09 0.04 -0.09 0.68 -3.33 0.00 0.00 175.10 172.30 2jqz s VAL 40 N -1.65 0.70 -0.35 2.04 -7.23 -0.47 -2.52 120.40 110.93 2jqz s VAL 40 Ca 0.40 -0.56 -0.12 0.00 -1.81 0.00 0.00 61.98 59.88 2jqz s VAL 40 Cb -0.12 -0.62 -0.01 0.00 0.56 0.00 0.00 36.38 36.19 2jqz s VAL 40 CO 0.26 0.07 0.23 -0.69 -0.31 0.00 0.00 175.10 174.66 2jqz s VAL 41 N -0.47 5.11 -1.55 1.32 1.01 -1.11 -2.50 120.40 122.20 2jqz s VAL 41 Ca 0.01 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 2jqz s VAL 41 Cb -0.05 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2jqz s VAL 41 CO 0.00 -0.06 2.65 -0.67 0.00 0.00 0.00 175.10 177.02 2jqz n ASP 42 N 5.08 6.89 0.00 3.32 2.03 -1.22 -2.93 116.55 129.73 2jqz n ASP 42 Ca -0.13 -2.71 0.00 0.00 0.52 0.00 0.00 54.79 52.48 2jqz n ASP 42 Cb 0.49 -1.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.30 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 3.66 0.00 1.94 0.27 0.00 -1.26 -4.46 105.19 105.34 2jqz n GLY 43 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 0.00 0.00 1.61 7.64 -1.15 -5.08 113.62 116.64 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 1.60 0.12 3.65 0.23 0.00 -1.18 -5.02 105.19 104.60 2jqz n GLY 45 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 2jqz n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jqz n GLN 46 N 0.00 1.85 -4.84 1.61 6.02 -1.26 -4.63 117.38 116.13 2jqz n GLN 46 Ca 0.00 0.65 -0.29 0.00 -0.01 0.00 0.00 57.00 57.35 2jqz n GLN 46 Cb 0.00 -2.57 -0.15 0.00 1.02 0.00 0.00 30.24 28.54 2jqz n GLN 46 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jqz s HIS 48 N -0.79 1.10 -0.02 0.00 3.76 -1.05 -4.95 115.29 113.34 2jqz s HIS 48 Ca 0.10 -1.29 -0.16 0.00 -0.15 0.00 0.00 55.06 53.56 2jqz s HIS 48 Cb -0.10 -0.57 0.03 0.00 1.11 0.00 0.00 32.58 33.05 2jqz s HIS 48 CO 0.02 -0.55 0.34 -1.54 -0.85 0.00 0.00 174.74 172.16 2jqz s SER 49 N -3.14 -0.24 0.05 1.40 1.04 -1.26 -0.74 113.70 110.82 2jqz s SER 49 Ca 0.33 0.16 0.05 0.00 0.48 0.00 0.00 55.95 56.97 2jqz s SER 49 Cb 0.07 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 2jqz s SER 49 CO 0.08 -0.45 -0.05 0.42 0.98 0.00 0.00 173.24 174.22 2jqz s THR 50 N -1.28 3.72 0.93 2.02 -4.23 0.11 -4.94 115.64 111.97 2jqz s THR 50 Ca -0.13 -0.95 -0.14 0.00 -1.18 0.00 0.00 61.69 59.28 2jqz s THR 50 Cb -0.05 -2.70 -0.03 0.00 1.34 0.00 0.00 72.50 71.06 2jqz s THR 50 CO 0.05 0.24 0.06 -0.90 -0.54 0.00 0.00 174.62 173.52 2jqz n ASP 51 N 1.03 -3.18 -4.86 3.99 5.68 -1.26 -2.89 116.55 115.06 2jqz n ASP 51 Ca -0.13 0.32 -0.33 0.00 -0.50 0.00 0.00 54.79 54.15 2jqz n ASP 51 Cb 0.52 -1.07 -0.06 0.00 -1.14 0.00 0.00 41.12 39.38 2jqz n ASP 51 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2jqz s THR 52 N -2.22 4.88 -0.34 2.12 2.01 -1.26 -4.39 115.64 116.44 2jqz s THR 52 Ca 0.53 0.61 -0.05 0.00 0.31 0.00 0.00 61.69 63.08 2jqz s THR 52 Cb -0.22 -3.64 0.05 0.00 0.01 0.00 0.00 72.50 68.70 2jqz s THR 52 CO 0.71 -0.02 0.11 -0.69 -0.69 0.00 0.00 174.62 174.03 2jqz s VAL 53 N -1.77 3.61 0.26 3.82 1.01 0.79 -4.98 120.40 123.14 2jqz s VAL 53 Ca 0.46 -1.29 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 2jqz s VAL 53 Cb -0.12 -3.10 -0.11 0.00 0.00 0.00 0.00 36.38 33.05 2jqz s VAL 53 CO 0.20 -0.24 1.57 -0.54 0.00 0.00 0.00 175.10 176.10 2jqz s LYS 54 N 1.35 4.16 0.00 2.72 3.01 -1.26 -3.16 119.74 126.56 2jqz s LYS 54 Ca -0.01 2.50 0.00 0.00 -1.01 0.00 0.00 55.97 57.45 2jqz s LYS 54 Cb -0.20 -3.06 0.00 0.00 -1.01 0.00 0.00 37.83 33.56 2jqz s LYS 54 CO 0.01 -0.60 0.00 0.27 0.51 0.00 0.00 175.35 175.55 2jqz n ASN 55 N 2.60 -0.75 -3.75 2.83 6.94 -1.16 -4.94 115.26 117.02 2jqz n ASN 55 Ca 0.09 0.05 -0.10 0.00 -0.02 0.00 0.00 54.58 54.61 2jqz n ASN 55 Cb 0.38 -0.18 -0.05 0.00 -2.36 0.00 0.00 39.78 37.57 2jqz n ASN 55 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2jqz s THR 56 N -0.10 0.07 0.00 5.53 -1.32 -0.81 -4.94 115.64 114.08 2jqz s THR 56 Ca 0.00 -0.87 0.00 0.00 -1.21 0.00 0.00 61.69 59.61 2jqz s THR 56 Cb 0.00 -1.40 0.00 0.00 -1.51 0.00 0.00 72.50 69.59 2jqz s THR 56 CO 0.00 -0.33 0.42 0.18 -2.21 0.00 0.00 174.62 172.68 2jqz n LEU 57 N -0.22 0.84 -2.93 9.08 4.77 -1.26 -4.40 117.00 122.89 2jqz n LEU 57 Ca -0.13 -0.90 -0.11 0.00 -0.03 0.00 0.00 56.01 54.84 2jqz n LEU 57 Cb 0.63 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.70 2jqz n LEU 57 CO 0.19 0.21 0.00 0.47 -1.33 0.00 0.00 177.39 176.94 2jqz n ASP 58 N -0.11 -2.57 -2.08 -1.43 8.00 -1.26 -1.73 116.55 115.37 2jqz n ASP 58 Ca 0.00 -2.81 0.00 0.00 0.71 0.00 0.00 54.79 52.69 2jqz n ASP 58 Cb 0.01 1.12 0.00 0.00 -0.02 0.00 0.00 41.12 42.23 2jqz n ASP 58 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2jqz n PRO 59 N 2.75 0.01 -3.60 -0.24 -0.04 -1.21 -4.88 135.00 127.80 2jqz n PRO 59 Ca 0.20 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.56 2jqz n PRO 59 Cb 0.55 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.95 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 -2.83 0.59 0.00 0.54 0.00 -1.26 -3.14 119.74 113.63 2jqz s LYS 60 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 55.97 56.28 2jqz s LYS 60 Cb 0.00 0.28 0.00 0.00 0.00 0.00 0.00 37.83 38.11 2jqz s LYS 60 CO 0.00 -0.15 0.00 0.91 0.00 0.00 0.00 175.35 176.11 2jqz n TRP 61 N 1.26 0.00 -2.05 1.78 8.01 -0.96 -4.96 117.44 120.52 2jqz n TRP 61 Ca -0.11 0.00 -0.07 0.00 -1.31 0.00 0.00 57.50 56.00 2jqz n TRP 61 Cb 0.57 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.86 2jqz n TRP 61 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.69 176.95 2jqz n ASN 62 N -0.93 -2.41 -4.52 -0.99 6.94 -0.76 -4.90 115.26 107.68 2jqz n ASN 62 Ca 0.00 0.28 -0.31 0.00 -0.02 0.00 0.00 54.58 54.53 2jqz n ASN 62 Cb 0.15 -2.22 -0.11 0.00 -2.36 0.00 0.00 39.78 35.23 2jqz n ASN 62 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2jqz s GLN 63 N -4.22 2.21 0.25 -3.83 -0.21 -1.20 -4.92 119.66 107.73 2jqz s GLN 63 Ca 0.00 -0.93 0.08 0.00 0.02 0.00 0.00 55.36 54.53 2jqz s GLN 63 Cb 0.00 -2.30 -0.05 0.00 1.00 0.00 0.00 33.01 31.66 2jqz s GLN 63 CO 0.00 0.55 -0.12 -3.38 -2.12 0.00 0.00 175.29 170.22 2jqz s HIS 64 N -1.01 1.90 -0.03 0.91 -3.43 -1.26 -0.58 115.29 111.78 2jqz s HIS 64 Ca 0.17 -0.59 0.07 0.00 -0.80 0.00 0.00 55.06 53.91 2jqz s HIS 64 Cb -0.11 -0.96 -0.01 0.00 -1.43 0.00 0.00 32.58 30.07 2jqz s HIS 64 CO 0.08 0.38 -0.24 0.71 -2.00 0.00 0.00 174.74 173.67 2jqz s TYR 65 N -2.92 2.24 -0.34 0.38 2.02 -0.78 -4.93 117.35 113.03 2jqz s TYR 65 Ca 0.26 -0.53 -0.08 0.00 -0.37 0.00 0.00 57.07 56.35 2jqz s TYR 65 Cb 0.01 -1.46 0.03 0.00 -0.40 0.00 0.00 41.96 40.13 2jqz s TYR 65 CO 0.10 -0.11 0.13 -0.51 -1.57 0.00 0.00 175.55 173.58 2jqz s ASP 66 N -0.37 5.38 0.04 2.29 1.01 -1.26 -1.74 116.67 122.02 2jqz s ASP 66 Ca 0.04 -0.99 0.06 0.00 0.71 0.00 0.00 52.55 52.36 2jqz s ASP 66 Cb -0.11 -1.91 -0.02 0.00 1.01 0.00 0.00 42.92 41.88 2jqz s ASP 66 CO 0.01 -0.31 -0.16 -0.76 0.21 0.00 0.00 175.17 174.16 2jqz s LEU 67 N 1.47 2.17 0.53 1.23 1.43 -0.65 -4.93 118.68 119.93 2jqz s LEU 67 Ca 0.00 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.47 2jqz s LEU 67 Cb -0.19 -0.73 -0.07 0.00 0.03 0.00 0.00 46.19 45.23 2jqz s LEU 67 CO 0.04 0.08 0.98 -0.31 0.23 0.00 0.00 176.35 177.37 2jqz s TYR 68 N -0.84 3.49 -0.19 0.29 2.02 -1.26 -1.06 117.35 119.79 2jqz s TYR 68 Ca 0.04 1.41 -0.01 0.00 -0.37 0.00 0.00 57.07 58.14 2jqz s TYR 68 Cb -0.08 -2.76 0.05 0.00 -0.40 0.00 0.00 41.96 38.77 2jqz s TYR 68 CO 0.02 -0.41 -0.01 0.42 -1.57 0.00 0.00 175.55 173.99 2jqz s ILE 69 N -2.71 0.94 0.00 2.71 -1.09 0.47 -4.89 121.20 116.63 2jqz s ILE 69 Ca 0.58 -0.72 0.00 0.00 -2.23 0.00 0.00 60.65 58.28 2jqz s ILE 69 Cb -0.10 -1.28 0.00 0.00 -1.58 0.00 0.00 42.46 39.50 2jqz s ILE 69 CO 0.35 -0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.61 2jqz n GLY 70 N 4.91 -0.79 0.32 6.18 0.00 -1.26 -2.36 105.19 112.19 2jqz n GLY 70 Ca -0.10 -1.67 -0.05 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.16 -2.19 1.61 1.63 -2.01 -3.24 116.57 112.21 2jqz h LYS 71 Ca 0.00 0.01 -0.58 0.00 -0.85 0.00 0.00 60.65 59.23 2jqz h LYS 71 Cb 0.00 0.04 -0.40 0.00 -0.60 0.00 0.00 32.23 31.26 2jqz h LYS 71 CO 0.00 -0.11 -0.84 -1.13 -3.45 0.00 0.00 179.45 173.92 2jqz n SER 72 N -5.43 1.82 -4.48 4.20 3.41 -1.26 -5.08 113.62 106.81 2jqz n SER 72 Ca 0.03 -3.02 -0.24 0.00 -0.26 0.00 0.00 58.87 55.39 2jqz n SER 72 Cb 0.34 -0.65 -0.10 0.00 -0.26 0.00 0.00 64.21 63.54 2jqz n SER 72 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2jqz s ASP 73 N -1.64 3.52 0.17 4.04 1.11 -1.23 -5.05 116.67 117.59 2jqz s ASP 73 Ca 0.36 -1.09 -0.09 0.00 0.18 0.00 0.00 52.55 51.91 2jqz s ASP 73 Cb 0.13 -0.30 -0.01 0.00 1.07 0.00 0.00 42.92 43.82 2jqz s ASP 73 CO -0.08 -0.07 0.30 -0.94 1.18 0.00 0.00 175.17 175.56 2jqz s SER 74 N -3.52 0.02 0.01 0.27 1.04 -1.26 -2.85 113.70 107.40 2jqz s SER 74 Ca 0.30 -0.85 0.02 0.00 0.48 0.00 0.00 55.95 55.90 2jqz s SER 74 Cb -0.02 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 2jqz s SER 74 CO 0.15 -0.90 -0.06 -0.69 0.98 0.00 0.00 173.24 172.72 2jqz s VAL 75 N -3.96 0.42 -0.14 5.02 1.01 -0.88 -3.36 120.40 118.50 2jqz s VAL 75 Ca 0.17 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 2jqz s VAL 75 Cb 0.03 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 36.05 2jqz s VAL 75 CO -0.00 -0.01 -0.07 -0.89 0.00 0.00 0.00 175.10 174.13 2jqz s THR 76 N -0.42 1.08 -0.27 3.92 2.01 -1.04 -1.82 115.64 119.09 2jqz s THR 76 Ca -0.01 -0.45 -0.16 0.00 0.31 0.00 0.00 61.69 61.37 2jqz s THR 76 Cb -0.04 -1.17 -0.03 0.00 0.01 0.00 0.00 72.50 71.27 2jqz s THR 76 CO -0.00 0.26 0.43 -0.63 -0.69 0.00 0.00 174.62 173.99 2jqz s ILE 77 N 1.67 5.13 -0.19 1.82 1.01 -0.34 -1.36 121.20 128.93 2jqz s ILE 77 Ca 0.03 0.65 -0.04 0.00 0.00 0.00 0.00 60.65 61.29 2jqz s ILE 77 Cb -0.14 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 2jqz s ILE 77 CO -0.08 0.10 -0.04 -0.94 0.00 0.00 0.00 174.94 173.98 2jqz s SER 78 N 1.62 4.49 -0.18 3.58 1.04 0.52 -0.18 113.70 124.59 2jqz s SER 78 Ca 0.17 -0.29 -0.09 0.00 0.48 0.00 0.00 55.95 56.22 2jqz s SER 78 Cb -0.16 -1.75 -0.05 0.00 0.10 0.00 0.00 66.02 64.16 2jqz s SER 78 CO 0.10 0.06 0.12 -0.69 0.98 0.00 0.00 173.24 173.81 2jqz s VAL 79 N 1.03 5.35 0.15 5.02 1.01 -0.72 -0.26 120.40 131.98 2jqz s VAL 79 Ca 0.01 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.23 2jqz s VAL 79 Cb -0.15 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 2jqz s VAL 79 CO 0.00 0.48 -0.17 0.26 0.00 0.00 0.00 175.10 175.67 2jqz s TRP 80 N 0.10 1.72 -0.67 5.22 0.52 -0.78 -2.39 118.94 122.66 2jqz s TRP 80 Ca 0.09 -0.48 -0.19 0.00 0.02 0.00 0.00 56.10 55.53 2jqz s TRP 80 Cb -0.11 -0.87 0.11 0.00 -1.15 0.00 0.00 33.47 31.45 2jqz s TRP 80 CO -0.01 0.27 0.81 -0.80 0.02 0.00 0.00 176.95 177.25 2jqz s ASN 81 N -2.54 6.29 0.32 2.95 0.02 0.60 -1.90 114.94 120.67 2jqz s ASN 81 Ca 0.13 -1.55 0.06 0.00 -1.02 0.00 0.00 52.86 50.48 2jqz s ASN 81 Cb -0.06 -2.33 0.87 0.00 0.02 0.00 0.00 41.25 39.75 2jqz s ASN 81 CO 0.05 -1.12 1.60 -0.74 0.02 0.00 0.00 177.10 176.92 2jqz h HIS 82 N 9.09 0.28 -0.06 2.20 -0.00 -1.38 0.32 115.15 125.59 2jqz h HIS 82 Ca -0.20 0.06 0.02 0.00 -0.00 0.00 0.00 60.37 60.25 2jqz h HIS 82 Cb 1.07 0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 28.50 2jqz h HIS 82 CO 0.92 -0.37 -0.06 0.87 -0.00 0.00 0.00 177.93 179.30 2jqz h LYS 83 N 0.08 -0.07 0.00 5.26 1.79 -1.92 -2.75 116.57 118.96 2jqz h LYS 83 Ca 0.64 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 59.03 2jqz h LYS 83 Cb 1.41 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.07 2jqz h LYS 83 CO -0.80 -0.05 -0.41 -0.22 -1.08 0.00 0.00 179.45 176.89 2jqz h LYS 84 N -0.07 0.00 0.00 3.15 1.63 -1.09 -1.86 116.57 118.33 2jqz h LYS 84 Ca 0.04 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 2jqz h LYS 84 Cb 0.14 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.76 2jqz h LYS 84 CO -0.10 0.41 -0.05 -0.84 -3.45 0.00 0.00 179.45 175.42 2jqz h ILE 85 N 0.00 0.79 0.00 2.00 3.07 -0.34 0.57 117.51 123.60 2jqz h ILE 85 Ca -0.00 -0.20 -0.12 0.00 1.55 0.00 0.00 64.86 66.09 2jqz h ILE 85 Cb 1.30 1.12 -0.02 0.00 -0.27 0.00 0.00 36.82 38.95 2jqz h ILE 85 CO 0.05 0.05 -0.90 -0.74 -1.05 0.00 0.00 178.15 175.56 2jqz h HIS 86 N 0.00 0.00 0.00 0.16 2.76 -1.27 -3.26 115.15 113.54 2jqz h HIS 86 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2jqz h HIS 86 Cb 0.11 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.07 2jqz h HIS 86 CO 0.00 0.46 0.06 1.17 -1.30 0.00 0.00 177.93 178.32 2jqz n LYS 87 N -3.03 0.00 -0.75 5.26 3.00 0.20 -4.93 118.16 117.91 2jqz n LYS 87 Ca -0.03 0.37 0.10 0.00 -0.00 0.00 0.00 58.31 58.74 2jqz n LYS 87 Cb 0.75 -1.56 -0.04 0.00 0.00 0.00 0.00 35.03 34.18 2jqz n LYS 87 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2jqz n LYS 88 N -1.35 -1.64 0.00 1.64 4.76 -1.14 -4.89 118.16 115.53 2jqz n LYS 88 Ca 0.00 1.24 0.00 0.00 -2.87 0.00 0.00 58.31 56.68 2jqz n LYS 88 Cb 0.06 -1.95 0.00 0.00 -1.84 0.00 0.00 35.03 31.30 2jqz n LYS 88 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2jqz n GLN 89 N -3.42 0.00 0.21 1.97 7.27 -1.26 -2.92 117.38 119.22 2jqz n GLN 89 Ca -0.02 0.00 0.10 0.00 0.07 0.00 0.00 57.00 57.15 2jqz n GLN 89 Cb 0.35 0.00 0.54 0.00 2.41 0.00 0.00 30.24 33.54 2jqz n GLN 89 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 2jqz h GLY 90 N 0.00 0.00 -4.58 1.69 0.00 -1.95 -3.42 103.07 94.81 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 0.80 0.00 0.00 0.00 0.00 176.54 177.34 2jqz n ALA 91 N -1.70 1.92 0.00 3.60 0.00 -1.15 -3.90 120.51 119.28 2jqz n ALA 91 Ca -0.01 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2jqz n ALA 91 Cb 0.26 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.32 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 2.61 0.70 3.84 0.00 0.00 -1.20 -3.70 105.19 107.44 2jqz n GLY 92 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.64 3.45 0.08 1.61 5.36 -1.25 -0.29 117.98 126.29 2jqz s PHE 93 Ca 0.00 1.46 0.00 0.00 -0.96 0.00 0.00 56.93 57.43 2jqz s PHE 93 Cb 0.00 -2.79 0.00 0.00 -0.34 0.00 0.00 43.02 39.89 2jqz s PHE 93 CO 0.00 -0.42 0.00 1.28 -1.46 0.00 0.00 175.22 174.62 2jqz n LEU 94 N -1.69 -0.04 -3.25 6.12 4.77 -1.12 -4.36 117.00 117.43 2jqz n LEU 94 Ca 0.07 0.13 0.04 0.00 -0.03 0.00 0.00 56.01 56.22 2jqz n LEU 94 Cb 0.54 0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.71 2jqz n LEU 94 CO 0.47 -0.58 0.53 -0.83 -1.33 0.00 0.00 177.39 175.65 2jqz s GLY 95 N -4.23 -0.38 -0.20 -0.72 0.00 -1.00 -4.37 107.32 96.40 2jqz s GLY 95 Ca 0.00 2.74 -0.08 0.00 0.00 0.00 0.00 44.72 47.38 2jqz s GLY 95 CO 0.00 3.51 0.09 0.00 0.00 0.00 0.00 173.10 176.71 2jqz s VAL 97 N 0.61 4.75 -0.06 0.00 0.11 0.75 -4.64 120.40 121.93 2jqz s VAL 97 Ca 0.05 -0.05 0.06 0.00 -2.93 0.00 0.00 61.98 59.11 2jqz s VAL 97 Cb -0.13 -3.12 -0.01 0.00 -1.53 0.00 0.00 36.38 31.59 2jqz s VAL 97 CO 0.01 0.49 -0.24 -0.13 -3.33 0.00 0.00 175.10 171.90 2jqz s ARG 98 N 0.15 2.55 0.01 1.54 0.52 -1.26 -1.20 118.95 121.26 2jqz s ARG 98 Ca 0.04 -0.89 0.04 0.00 -0.52 0.00 0.00 55.73 54.40 2jqz s ARG 98 Cb -0.12 -2.18 -0.01 0.00 0.52 0.00 0.00 34.95 33.15 2jqz s ARG 98 CO 0.01 0.40 -0.12 -0.51 0.02 0.00 0.00 175.30 175.10 2jqz s LEU 99 N -0.21 2.09 0.00 2.53 2.01 -0.75 -5.04 118.68 119.32 2jqz s LEU 99 Ca -0.02 -0.32 0.05 0.00 0.01 0.00 0.00 54.13 53.85 2jqz s LEU 99 Cb -0.13 -0.54 0.05 0.00 0.01 0.00 0.00 46.19 45.57 2jqz s LEU 99 CO 0.03 0.07 0.37 0.18 1.01 0.00 0.00 176.35 178.02 2jqz n LEU 100 N 2.38 0.00 -0.08 1.79 4.77 -1.26 -2.08 117.00 122.51 2jqz n LEU 100 Ca -0.16 -1.70 -0.10 0.00 -0.03 0.00 0.00 56.01 54.02 2jqz n LEU 100 Cb 0.56 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 2jqz n LEU 100 CO 0.24 -0.54 0.94 -1.28 -1.33 0.00 0.00 177.39 175.42 2jqz h SER 101 N 0.25 0.35 -0.60 -1.43 0.87 -1.91 0.28 113.55 111.36 2jqz h SER 101 Ca -0.20 -0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.19 2jqz h SER 101 Cb 0.80 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 2jqz h SER 101 CO 0.30 0.33 0.01 0.78 -0.53 0.00 0.00 176.83 177.71 2jqz h ASN 102 N 0.34 1.04 -0.51 6.23 4.21 -1.96 -2.65 115.58 122.28 2jqz h ASN 102 Ca 0.10 -0.29 -0.10 0.00 1.21 0.00 0.00 56.30 57.22 2jqz h ASN 102 Cb 0.05 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 36.95 2jqz h ASN 102 CO -0.02 1.08 -0.07 0.00 -1.29 0.00 0.00 177.43 177.13 2jqz h ALA 103 N 1.02 0.85 -0.72 -0.83 0.00 -1.87 -2.82 119.26 114.90 2jqz h ALA 103 Ca 0.17 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2jqz h ALA 103 Cb 0.55 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2jqz h ALA 103 CO 0.03 0.65 0.38 0.82 0.00 0.00 0.00 179.25 181.13 2jqz h ILE 104 N 0.88 1.22 0.34 0.00 5.03 -0.19 -0.51 117.51 124.27 2jqz h ILE 104 Ca 0.15 -0.56 -0.02 0.00 -0.12 0.00 0.00 64.86 64.31 2jqz h ILE 104 Cb 0.62 0.26 0.00 0.00 -3.03 0.00 0.00 36.82 34.67 2jqz h ILE 104 CO 0.04 0.25 -0.16 0.78 -0.68 0.00 0.00 178.15 178.37 2jqz h ASN 105 N 1.00 -0.38 -0.58 1.72 2.35 -1.32 0.31 115.58 118.68 2jqz h ASN 105 Ca 0.25 -0.17 0.05 0.00 -0.55 0.00 0.00 56.30 55.88 2jqz h ASN 105 Cb 0.04 0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.47 2jqz h ASN 105 CO -0.04 0.05 0.31 0.03 -1.65 0.00 0.00 177.43 176.13 2jqz h ARG 106 N -0.91 0.58 -0.22 0.81 3.08 -1.47 -2.58 114.38 113.67 2jqz h ARG 106 Ca -0.05 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 59.78 2jqz h ARG 106 Cb 0.53 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2jqz h ARG 106 CO 0.08 0.39 -0.60 -0.07 -1.07 0.00 0.00 179.97 178.70 2jqz h LEU 107 N 0.60 0.91 -1.99 3.04 4.07 -1.16 -2.59 115.31 118.19 2jqz h LEU 107 Ca 0.25 -0.57 0.23 0.00 0.08 0.00 0.00 57.88 57.87 2jqz h LEU 107 Cb 0.14 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.58 2jqz h LEU 107 CO -0.16 1.32 0.59 0.07 -1.08 0.00 0.00 178.44 179.18 2jqz h LYS 108 N 0.54 0.00 0.00 1.13 2.10 0.03 0.18 116.57 120.55 2jqz h LYS 108 Ca -0.01 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.41 2jqz h LYS 108 Cb 1.21 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.50 2jqz h LYS 108 CO 0.13 0.00 -1.73 -0.40 -2.00 0.00 0.00 179.45 175.45 2jqz n ASP 109 N -4.26 0.63 0.12 7.07 5.68 -1.13 -2.98 116.55 121.69 2jqz n ASP 109 Ca 0.16 0.29 -0.09 0.00 -0.50 0.00 0.00 54.79 54.65 2jqz n ASP 109 Cb 0.88 0.39 -0.05 0.00 -1.14 0.00 0.00 41.12 41.20 2jqz n ASP 109 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2jqz h THR 110 N 0.00 0.00 0.00 2.12 1.35 -0.24 -3.48 112.91 112.67 2jqz h THR 110 Ca -0.26 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 2jqz h THR 110 Cb 1.79 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 2jqz h THR 110 CO 0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 2jqz n GLY 111 N -1.26 0.96 3.23 5.82 0.00 -1.04 -4.97 105.19 107.94 2jqz n GLY 111 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.28 -0.02 1.61 2.02 -1.26 -4.19 117.35 113.23 2jqz s TYR 112 Ca 0.00 0.44 0.00 0.00 -0.37 0.00 0.00 57.07 57.15 2jqz s TYR 112 Cb 0.00 0.15 0.03 0.00 -0.40 0.00 0.00 41.96 41.74 2jqz s TYR 112 CO 0.00 -0.14 0.02 -0.65 -1.57 0.00 0.00 175.55 173.20 2jqz s GLN 113 N 2.33 0.08 -0.48 -0.62 -1.52 0.66 -4.89 119.66 115.23 2jqz s GLN 113 Ca -0.01 0.13 -0.09 0.00 -1.95 0.00 0.00 55.36 53.43 2jqz s GLN 113 Cb -0.04 -0.30 0.12 0.00 -0.22 0.00 0.00 33.01 32.57 2jqz s GLN 113 CO -0.15 -0.14 0.36 -0.98 -0.25 0.00 0.00 175.29 174.13 2jqz s ARG 114 N 0.93 2.50 -0.10 2.91 1.70 -1.26 -0.27 118.95 125.38 2jqz s ARG 114 Ca -0.08 -1.80 -0.19 0.00 -0.47 0.00 0.00 55.73 53.19 2jqz s ARG 114 Cb -0.12 -3.94 -0.04 0.00 -0.57 0.00 0.00 34.95 30.28 2jqz s ARG 114 CO -0.02 -1.20 0.52 -0.51 -1.08 0.00 0.00 175.30 173.00 2jqz s LEU 115 N 1.31 4.30 -0.13 -1.89 2.01 0.50 -4.85 118.68 119.93 2jqz s LEU 115 Ca 0.06 0.90 -0.29 0.00 0.01 0.00 0.00 54.13 54.81 2jqz s LEU 115 Cb -0.26 -2.76 -0.02 0.00 0.01 0.00 0.00 46.19 43.15 2jqz s LEU 115 CO -0.01 0.01 1.31 -1.81 1.01 0.00 0.00 176.35 176.86 2jqz s ASP 116 N 0.50 6.92 -0.77 2.29 1.11 -1.26 -0.40 116.67 125.06 2jqz s ASP 116 Ca 0.28 1.80 -0.26 0.00 0.18 0.00 0.00 52.55 54.55 2jqz s ASP 116 Cb -0.16 -2.54 0.02 0.00 1.07 0.00 0.00 42.92 41.31 2jqz s ASP 116 CO 0.12 -0.76 1.48 -0.76 1.18 0.00 0.00 175.17 176.44 2jqz s LEU 117 N 3.33 3.25 0.43 1.23 1.02 0.14 -4.83 118.68 123.24 2jqz s LEU 117 Ca 0.58 -0.47 0.03 0.00 0.02 0.00 0.00 54.13 54.29 2jqz s LEU 117 Cb -0.24 -2.56 -0.03 0.00 0.02 0.00 0.00 46.19 43.38 2jqz s LEU 117 CO 0.18 -1.96 0.07 0.00 0.02 0.00 0.00 176.35 174.66 2jqz n LYS 119 N -0.99 1.63 -0.25 0.00 2.85 -1.26 -3.98 118.16 116.16 2jqz n LYS 119 Ca -0.09 0.58 0.28 0.00 -1.05 0.00 0.00 58.31 58.03 2jqz n LYS 119 Cb 0.66 -2.11 0.67 0.00 -0.65 0.00 0.00 35.03 33.60 2jqz n LYS 119 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2jqz h LEU 120 N 3.26 0.13 -7.26 -5.58 5.85 -1.83 -3.43 115.31 106.44 2jqz h LEU 120 Ca -0.43 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.34 2jqz h LEU 120 Cb 1.31 -0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.23 2jqz h LEU 120 CO 0.69 0.03 0.28 -0.83 -0.34 0.00 0.00 178.44 178.28 2jqz s GLY 121 N -3.94 -0.45 0.43 3.75 0.00 -1.26 -5.09 107.32 100.75 2jqz s GLY 121 Ca -0.06 0.38 -0.24 0.00 0.00 0.00 0.00 44.72 44.80 2jqz s GLY 121 CO 0.79 0.13 1.18 -4.14 0.00 0.00 0.00 173.10 171.05 2jqz s PRO 122 N -3.64 3.92 -2.06 2.90 0.02 -1.26 -2.95 135.00 131.92 2jqz s PRO 122 Ca 0.05 1.84 0.00 0.00 0.02 0.00 0.00 61.00 62.90 2jqz s PRO 122 Cb -0.02 -2.56 0.00 0.00 0.02 0.00 0.00 34.50 31.94 2jqz s PRO 122 CO -0.07 -0.44 0.00 0.09 -0.33 0.00 0.00 177.00 176.25 2jqz n ASN 123 N -0.17 -5.19 -3.65 2.53 5.03 -1.26 -4.92 115.26 107.63 2jqz n ASN 123 Ca 0.06 0.46 -0.29 0.00 0.87 0.00 0.00 54.58 55.67 2jqz n ASN 123 Cb 0.47 -4.60 -0.13 0.00 -1.02 0.00 0.00 39.78 34.50 2jqz n ASN 123 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2jqz s ASP 124 N -2.63 3.56 -0.49 6.41 1.01 -1.15 -4.95 116.67 118.44 2jqz s ASP 124 Ca 0.00 -2.28 -0.21 0.00 0.71 0.00 0.00 52.55 50.78 2jqz s ASP 124 Cb 0.00 -0.83 0.03 0.00 1.01 0.00 0.00 42.92 43.13 2jqz s ASP 124 CO 0.00 -0.31 0.63 0.59 0.21 0.00 0.00 175.17 176.29 2jqz n ASN 125 N 3.98 -7.05 -3.29 0.27 4.13 -1.26 -4.37 115.26 107.67 2jqz n ASN 125 Ca 0.07 0.19 -0.38 0.00 1.68 0.00 0.00 54.58 56.14 2jqz n ASN 125 Cb 0.37 -4.08 -0.01 0.00 -1.54 0.00 0.00 39.78 34.52 2jqz n ASN 125 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2jqz n ASP 126 N -0.53 7.66 -2.90 6.41 5.68 -1.26 -4.68 116.55 126.93 2jqz n ASP 126 Ca 0.02 -3.24 -0.33 0.00 -0.50 0.00 0.00 54.79 50.74 2jqz n ASP 126 Cb 0.54 -1.31 0.01 0.00 -1.14 0.00 0.00 41.12 39.23 2jqz n ASP 126 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2jqz n THR 127 N 1.28 3.51 -4.67 2.12 -2.24 -1.26 -5.01 114.28 108.02 2jqz n THR 127 Ca 0.58 -5.04 -0.33 0.00 -2.27 0.00 0.00 64.05 56.99 2jqz n THR 127 Cb 0.31 -1.33 -0.06 0.00 -2.10 0.00 0.00 70.33 67.14 2jqz n THR 127 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2jqz s VAL 128 N -5.00 1.09 0.00 2.28 -7.23 -1.26 -4.86 120.40 105.42 2jqz s VAL 128 Ca 0.48 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 2jqz s VAL 128 Cb 0.35 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 35.27 2jqz s VAL 128 CO -0.24 0.00 0.00 -1.14 -0.31 0.00 0.00 175.10 173.41 2jqz n ARG 129 N -1.38 0.00 -3.90 4.82 0.63 -1.24 -4.94 116.66 110.65 2jqz n ARG 129 Ca -0.19 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.48 2jqz n ARG 129 Cb 0.67 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.57 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 2.38 0.35 5.14 0.00 -0.90 -4.74 107.32 109.55 2jqz s GLY 130 Ca 0.00 -1.24 0.01 0.00 0.00 0.00 0.00 44.72 43.49 2jqz s GLY 130 CO 0.00 -1.95 0.42 1.20 0.00 0.00 0.00 173.10 172.78 2jqz s GLN 131 N -4.27 1.89 -0.13 2.90 1.11 0.08 0.23 119.66 121.46 2jqz s GLN 131 Ca 0.33 -1.86 -0.11 0.00 0.01 0.00 0.00 55.36 53.73 2jqz s GLN 131 Cb -0.02 0.41 0.04 0.00 -1.01 0.00 0.00 33.01 32.43 2jqz s GLN 131 CO 0.21 -0.76 0.35 -1.50 0.01 0.00 0.00 175.29 173.59 2jqz s ILE 132 N -3.11 -0.01 -0.20 1.08 2.07 0.46 -0.34 121.20 121.16 2jqz s ILE 132 Ca 0.34 0.03 -0.06 0.00 -1.41 0.00 0.00 60.65 59.54 2jqz s ILE 132 Cb 0.00 -0.50 -0.03 0.00 0.13 0.00 0.00 42.46 42.06 2jqz s ILE 132 CO 0.23 0.01 0.04 -0.69 -1.91 0.00 0.00 174.94 172.62 2jqz s VAL 133 N 0.45 4.39 0.30 4.00 1.01 0.73 -0.37 120.40 130.91 2jqz s VAL 133 Ca -0.02 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.83 2jqz s VAL 133 Cb -0.04 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 2jqz s VAL 133 CO -0.02 0.42 0.14 1.33 0.00 0.00 0.00 175.10 176.97 2jqz n VAL 134 N 4.06 0.00 -3.72 2.92 0.24 0.63 -1.71 118.33 120.76 2jqz n VAL 134 Ca -0.17 -1.85 -0.15 0.00 -2.04 0.00 0.00 64.34 60.13 2jqz n VAL 134 Cb 0.52 0.72 -0.15 0.00 -1.47 0.00 0.00 33.84 33.47 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 -2.91 0.21 -0.33 -1.34 1.04 -0.13 -0.24 113.70 109.99 2jqz s SER 135 Ca 0.19 0.32 -0.10 0.00 0.48 0.00 0.00 55.95 56.84 2jqz s SER 135 Cb 0.01 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2jqz s SER 135 CO 0.14 -0.18 0.18 -0.76 0.98 0.00 0.00 173.24 173.59 2jqz s LEU 136 N 1.59 4.31 -0.05 2.42 2.01 -1.26 -1.07 118.68 126.64 2jqz s LEU 136 Ca -0.05 -0.63 -0.05 0.00 0.01 0.00 0.00 54.13 53.41 2jqz s LEU 136 Cb -0.12 -2.02 0.01 0.00 0.01 0.00 0.00 46.19 44.07 2jqz s LEU 136 CO -0.06 -0.25 0.14 -1.58 1.01 0.00 0.00 176.35 175.61 2jqz s GLN 137 N 1.61 0.20 0.43 1.70 0.74 -1.12 -2.49 119.66 120.74 2jqz s GLN 137 Ca 0.04 0.14 -0.25 0.00 0.05 0.00 0.00 55.36 55.34 2jqz s GLN 137 Cb -0.18 0.09 -0.08 0.00 1.10 0.00 0.00 33.01 33.95 2jqz s GLN 137 CO 0.07 -0.03 1.28 -1.54 -0.55 0.00 0.00 175.29 174.51 2jqz s SER 138 N -0.08 6.18 0.29 6.67 1.04 -1.22 -2.36 113.70 124.22 2jqz s SER 138 Ca -0.02 2.58 -0.28 0.00 0.48 0.00 0.00 55.95 58.72 2jqz s SER 138 Cb -0.02 -2.63 -0.09 0.00 0.10 0.00 0.00 66.02 63.38 2jqz s SER 138 CO 0.00 -0.93 0.99 -0.60 0.98 0.00 0.00 173.24 173.68 2jqz s ARG 139 N -2.40 4.66 0.00 4.02 3.00 -0.12 -4.85 118.95 123.27 2jqz s ARG 139 Ca 0.60 1.53 0.00 0.00 -1.00 0.00 0.00 55.73 56.85 2jqz s ARG 139 Cb -0.36 -3.06 0.00 0.00 0.00 0.00 0.00 34.95 31.53 2jqz s ARG 139 CO 0.46 0.32 0.00 -3.47 0.00 0.00 0.00 175.30 172.60