#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqz n PRO 11 N 0.00 -1.32 -5.06 1.61 -0.04 -1.26 -4.96 135.00 123.97 2jqz n PRO 11 Ca 0.00 -0.35 -0.32 0.00 -0.04 0.00 0.00 63.50 62.79 2jqz n PRO 11 Cb 0.00 -2.02 -0.14 0.00 -0.04 0.00 0.00 33.50 31.29 2jqz n PRO 11 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2jqz s VAL 12 N -2.41 2.56 -0.52 0.52 -7.23 -0.96 -4.85 120.40 107.50 2jqz s VAL 12 Ca 0.62 -0.96 -0.25 0.00 -1.81 0.00 0.00 61.98 59.58 2jqz s VAL 12 Cb -0.20 -1.96 0.03 0.00 0.56 0.00 0.00 36.38 34.81 2jqz s VAL 12 CO 0.64 0.56 0.99 -0.75 -0.31 0.00 0.00 175.10 176.23 2jqz s LYS 13 N -0.75 3.44 -0.11 4.82 2.47 -1.26 -1.43 119.74 126.92 2jqz s LYS 13 Ca 0.11 -0.00 0.03 0.00 -1.56 0.00 0.00 55.97 54.55 2jqz s LYS 13 Cb -0.10 -4.00 -0.00 0.00 -1.46 0.00 0.00 37.83 32.27 2jqz s LYS 13 CO 0.00 -1.43 -0.21 -1.17 0.16 0.00 0.00 175.35 172.71 2jqz s LEU 14 N 4.07 2.24 -0.19 5.43 1.98 -0.95 -2.18 118.68 129.08 2jqz s LEU 14 Ca 0.35 -0.51 -0.02 0.00 -2.89 0.00 0.00 54.13 51.07 2jqz s LEU 14 Cb -0.11 -1.46 0.00 0.00 0.66 0.00 0.00 46.19 45.28 2jqz s LEU 14 CO 0.23 0.15 -0.11 0.00 -1.89 0.00 0.00 176.35 174.74 2jqz s ARG 15 N 0.40 3.25 -0.35 1.98 1.04 -1.00 -1.04 118.95 123.23 2jqz s ARG 15 Ca -0.16 -0.70 -0.14 0.00 -1.04 0.00 0.00 55.73 53.68 2jqz s ARG 15 Cb -0.17 -2.81 -0.01 0.00 -2.04 0.00 0.00 34.95 29.92 2jqz s ARG 15 CO 0.07 -0.14 0.32 -1.17 -0.04 0.00 0.00 175.30 174.33 2jqz s LEU 16 N 1.25 4.51 -0.42 -1.89 0.20 -0.91 -2.74 118.68 118.69 2jqz s LEU 16 Ca 0.03 -0.34 -0.19 0.00 0.69 0.00 0.00 54.13 54.32 2jqz s LEU 16 Cb -0.14 -2.26 0.02 0.00 -0.43 0.00 0.00 46.19 43.38 2jqz s LEU 16 CO -0.05 -0.31 0.56 -0.89 -0.29 0.00 0.00 176.35 175.37 2jqz s THR 17 N 1.90 4.93 -0.93 3.68 2.01 0.00 -2.46 115.64 124.78 2jqz s THR 17 Ca 0.09 0.03 -0.24 0.00 0.31 0.00 0.00 61.69 61.89 2jqz s THR 17 Cb -0.17 -4.12 0.05 0.00 0.01 0.00 0.00 72.50 68.28 2jqz s THR 17 CO 0.11 -0.48 1.36 -0.69 -0.69 0.00 0.00 174.62 174.23 2jqz s VAL 18 N 2.56 3.96 0.00 3.82 1.01 0.64 -0.91 120.40 131.48 2jqz s VAL 18 Ca 0.19 -0.53 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 2jqz s VAL 18 Cb -0.15 -4.98 -0.12 0.00 0.00 0.00 0.00 36.38 31.12 2jqz s VAL 18 CO 0.16 -1.86 0.97 0.25 0.00 0.00 0.00 175.10 174.62 2jqz h LEU 19 N 12.58 -0.68 -7.88 3.92 6.46 -1.45 0.64 115.31 128.91 2jqz h LEU 19 Ca 0.06 0.02 0.11 0.00 -0.12 0.00 0.00 57.88 57.95 2jqz h LEU 19 Cb 1.02 0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 41.08 2jqz h LEU 19 CO 1.35 -0.32 0.40 0.00 -0.62 0.00 0.00 178.44 179.25 2jqz s ALA 21 N -3.02 1.32 0.27 0.00 0.00 -1.18 -0.13 121.76 119.03 2jqz s ALA 21 Ca 0.14 -1.08 0.09 0.00 0.00 0.00 0.00 51.96 51.12 2jqz s ALA 21 Cb -0.04 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 2jqz s ALA 21 CO 0.06 0.19 -0.13 0.15 0.00 0.00 0.00 175.76 176.03 2jqz s LYS 22 N -1.89 1.59 -0.95 0.00 -0.14 -0.11 -3.41 119.74 114.83 2jqz s LYS 22 Ca 0.01 -1.76 -0.12 0.00 -1.36 0.00 0.00 55.97 52.74 2jqz s LYS 22 Cb -0.09 -1.45 0.02 0.00 -1.68 0.00 0.00 37.83 34.62 2jqz s LYS 22 CO 0.03 0.19 0.62 -1.71 -0.76 0.00 0.00 175.35 173.71 2jqz n ASN 23 N -0.58 -4.49 -4.65 2.83 5.15 -1.11 -0.68 115.26 111.73 2jqz n ASN 23 Ca -0.06 -1.09 -0.43 0.00 -0.60 0.00 0.00 54.58 52.41 2jqz n ASN 23 Cb 0.62 -1.57 -0.02 0.00 -0.53 0.00 0.00 39.78 38.28 2jqz n ASN 23 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2jqz s LEU 24 N -5.80 4.07 -0.25 1.20 2.01 -0.74 -3.11 118.68 116.07 2jqz s LEU 24 Ca 0.16 1.42 -0.34 0.00 0.01 0.00 0.00 54.13 55.39 2jqz s LEU 24 Cb -0.09 -3.54 -0.10 0.00 0.01 0.00 0.00 46.19 42.47 2jqz s LEU 24 CO 0.91 -0.79 2.10 0.55 1.01 0.00 0.00 176.35 180.13 2jqz n VAL 25 N 5.54 0.34 0.05 -1.59 3.14 -1.07 -4.73 118.33 120.00 2jqz n VAL 25 Ca 0.13 -0.26 0.01 0.00 -2.96 0.00 0.00 64.34 61.26 2jqz n VAL 25 Cb 0.46 -1.90 0.03 0.00 -1.06 0.00 0.00 33.84 31.36 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 7.79 0.01 0.00 1.45 2.85 -1.26 -4.64 118.16 124.36 2jqz n LYS 26 Ca 0.33 0.38 0.00 0.00 -1.05 0.00 0.00 58.31 57.97 2jqz n LYS 26 Cb 0.29 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.17 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 -1.40 0.00 -3.59 -1.58 4.76 -1.26 -4.20 118.16 110.89 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 0.01 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.13 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 -4.00 6.40 0.00 4.39 1.11 -1.26 -5.03 116.67 118.28 2jqz s ASP 28 Ca 0.00 0.47 0.00 0.00 0.18 0.00 0.00 52.55 53.20 2jqz s ASP 28 Cb 0.00 -2.16 0.00 0.00 1.07 0.00 0.00 42.92 41.83 2jqz s ASP 28 CO 0.00 0.14 0.83 0.33 1.18 0.00 0.00 175.17 177.65 2jqz n PHE 29 N 3.41 0.00 0.63 4.23 7.35 -1.26 -0.81 117.46 131.00 2jqz n PHE 29 Ca -0.13 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.56 2jqz n PHE 29 Cb 0.52 -0.33 0.00 0.00 0.35 0.00 0.00 39.48 40.02 2jqz n PHE 29 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2jqz n PHE 30 N -2.17 0.00 -4.27 -5.13 7.35 -1.26 -4.75 117.46 107.23 2jqz n PHE 30 Ca 0.00 -0.11 -0.15 0.00 -0.76 0.00 0.00 57.45 56.43 2jqz n PHE 30 Cb 0.00 -0.11 -0.10 0.00 0.35 0.00 0.00 39.48 39.62 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 -0.51 1.36 0.02 -4.13 0.52 0.01 -5.17 118.95 111.05 2jqz s ARG 31 Ca 0.00 -1.73 0.03 0.00 -0.52 0.00 0.00 55.73 53.50 2jqz s ARG 31 Cb 0.00 -0.02 -0.02 0.00 0.52 0.00 0.00 34.95 35.44 2jqz s ARG 31 CO 0.00 -0.36 -0.08 -0.51 0.02 0.00 0.00 175.30 174.37 2jqz s LEU 32 N -3.26 2.14 0.37 2.53 2.01 -1.26 -4.57 118.68 116.63 2jqz s LEU 32 Ca 0.38 -0.35 0.00 0.00 0.01 0.00 0.00 54.13 54.18 2jqz s LEU 32 Cb 0.07 -0.32 -0.03 0.00 0.01 0.00 0.00 46.19 45.93 2jqz s LEU 32 CO 0.14 -0.04 0.57 -2.16 1.01 0.00 0.00 176.35 175.87 2jqz s PRO 33 N -0.89 3.41 -0.67 1.29 0.04 -1.26 -4.68 135.00 132.24 2jqz s PRO 33 Ca -0.02 -0.36 0.04 0.00 0.04 0.00 0.00 61.00 60.69 2jqz s PRO 33 Cb -0.06 -2.64 0.16 0.00 0.04 0.00 0.00 34.50 32.00 2jqz s PRO 33 CO 0.00 0.06 0.46 -0.51 0.04 0.00 0.00 177.00 177.05 2jqz s ASP 34 N -4.07 4.81 0.39 6.66 1.11 -1.26 -1.84 116.67 122.47 2jqz s ASP 34 Ca 0.42 -3.61 -0.27 0.00 0.18 0.00 0.00 52.55 49.27 2jqz s ASP 34 Cb -0.10 -1.67 -0.09 0.00 1.07 0.00 0.00 42.92 42.13 2jqz s ASP 34 CO 0.36 -0.14 1.35 -2.16 1.18 0.00 0.00 175.17 175.77 2jqz s PRO 35 N -1.12 4.04 0.27 8.23 0.04 -1.17 -1.31 135.00 143.98 2jqz s PRO 35 Ca 0.23 2.27 -0.11 0.00 0.04 0.00 0.00 61.00 63.43 2jqz s PRO 35 Cb -0.10 -2.85 -0.00 0.00 0.04 0.00 0.00 34.50 31.59 2jqz s PRO 35 CO -0.12 -0.47 0.49 -0.59 0.04 0.00 0.00 177.00 176.35 2jqz s PHE 36 N -1.20 0.49 0.20 0.56 -0.71 -0.77 -0.19 117.98 116.36 2jqz s PHE 36 Ca 0.55 -0.85 0.10 0.00 -1.04 0.00 0.00 56.93 55.69 2jqz s PHE 36 Cb -0.40 0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.52 2jqz s PHE 36 CO 0.53 -1.05 -0.20 0.00 -1.34 0.00 0.00 175.22 173.16 2jqz s ALA 37 N -3.74 2.34 -0.10 1.99 0.00 -1.14 -1.39 121.76 119.72 2jqz s ALA 37 Ca 0.24 -1.63 -0.04 0.00 0.00 0.00 0.00 51.96 50.53 2jqz s ALA 37 Cb -0.01 -0.25 0.05 0.00 0.00 0.00 0.00 23.12 22.92 2jqz s ALA 37 CO 0.11 0.30 0.17 0.21 0.00 0.00 0.00 175.76 176.56 2jqz s LYS 38 N -2.93 0.06 0.06 0.00 2.20 0.42 -0.30 119.74 119.24 2jqz s LYS 38 Ca 0.21 0.52 -0.23 0.00 -0.36 0.00 0.00 55.97 56.11 2jqz s LYS 38 Cb -0.06 -0.41 -0.06 0.00 -1.51 0.00 0.00 37.83 35.79 2jqz s LYS 38 CO 0.09 -0.36 0.69 0.54 -0.36 0.00 0.00 175.35 175.96 2jqz s VAL 39 N 2.30 4.71 -0.01 4.02 0.11 0.98 -1.42 120.40 131.08 2jqz s VAL 39 Ca 0.03 1.48 0.01 0.00 -2.93 0.00 0.00 61.98 60.57 2jqz s VAL 39 Cb -0.13 -4.04 0.01 0.00 -1.53 0.00 0.00 36.38 30.69 2jqz s VAL 39 CO -0.07 0.44 -0.04 0.68 -3.33 0.00 0.00 175.10 172.78 2jqz s VAL 40 N -0.46 0.39 -0.35 2.04 -7.23 -1.02 -2.32 120.40 111.44 2jqz s VAL 40 Ca 0.34 -0.16 -0.04 0.00 -1.81 0.00 0.00 61.98 60.32 2jqz s VAL 40 Cb -0.20 -0.37 0.07 0.00 0.56 0.00 0.00 36.38 36.44 2jqz s VAL 40 CO 0.21 0.14 0.10 -0.69 -0.31 0.00 0.00 175.10 174.55 2jqz s VAL 41 N 0.22 3.34 -1.55 1.32 1.01 -1.14 -2.60 120.40 121.01 2jqz s VAL 41 Ca -0.02 -1.53 -0.11 0.00 0.00 0.00 0.00 61.98 60.32 2jqz s VAL 41 Cb -0.06 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.22 2jqz s VAL 41 CO -0.00 -0.33 2.77 -0.90 0.00 0.00 0.00 175.10 176.63 2jqz n ASP 42 N 4.68 7.56 0.00 3.32 5.75 -1.25 -2.67 116.55 133.93 2jqz n ASP 42 Ca -0.09 -2.61 0.00 0.00 -0.01 0.00 0.00 54.79 52.08 2jqz n ASP 42 Cb 0.43 -1.55 0.00 0.00 -1.03 0.00 0.00 41.12 38.97 2jqz n ASP 42 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jqz n GLY 43 N 3.70 0.00 1.79 6.12 0.00 -1.26 -4.72 105.19 110.83 2jqz n GLY 43 Ca 0.72 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 0.08 0.00 1.61 7.64 -1.12 -5.07 113.62 116.77 2jqz n SER 44 Ca 0.00 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.26 2jqz n SER 44 Cb 0.00 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 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 1.92 0.99 3.64 0.23 0.00 -1.09 -5.06 105.19 105.81 2jqz n GLY 45 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 2.36 -5.17 1.61 6.02 -1.26 -4.77 117.38 116.16 2jqz n GLN 46 Ca 0.00 0.82 -0.30 0.00 -0.01 0.00 0.00 57.00 57.51 2jqz n GLN 46 Cb 0.00 -2.91 -0.16 0.00 1.02 0.00 0.00 30.24 28.19 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 -0.40 1.23 -0.22 0.00 3.76 -0.98 -4.93 115.29 113.75 2jqz s HIS 48 Ca 0.05 -1.33 -0.19 0.00 -0.15 0.00 0.00 55.06 53.44 2jqz s HIS 48 Cb -0.11 -0.63 0.06 0.00 1.11 0.00 0.00 32.58 33.01 2jqz s HIS 48 CO 0.01 -0.56 0.58 -1.54 -0.85 0.00 0.00 174.74 172.37 2jqz s SER 49 N -3.19 -0.64 0.11 1.40 1.04 -1.26 -0.02 113.70 111.15 2jqz s SER 49 Ca 0.38 1.18 -0.06 0.00 0.48 0.00 0.00 55.95 57.93 2jqz s SER 49 Cb 0.07 1.17 -0.06 0.00 0.10 0.00 0.00 66.02 67.30 2jqz s SER 49 CO 0.12 -0.20 0.37 0.42 0.98 0.00 0.00 173.24 174.93 2jqz s THR 50 N 0.57 5.16 0.87 2.02 -4.23 0.59 -4.93 115.64 115.69 2jqz s THR 50 Ca -0.02 0.18 -0.15 0.00 -1.18 0.00 0.00 61.69 60.52 2jqz s THR 50 Cb -0.05 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.14 2jqz s THR 50 CO -0.03 0.15 0.17 0.47 -0.54 0.00 0.00 174.62 174.83 2jqz n ASP 51 N 0.44 -2.71 -4.86 3.99 8.00 -1.26 -2.87 116.55 117.28 2jqz n ASP 51 Ca -0.05 0.40 -0.33 0.00 0.71 0.00 0.00 54.79 55.52 2jqz n ASP 51 Cb 0.52 -1.10 -0.06 0.00 -0.02 0.00 0.00 41.12 40.47 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 -2.15 4.90 -0.33 -3.53 2.01 -1.26 -4.37 115.64 110.92 2jqz s THR 52 Ca 0.56 0.59 -0.04 0.00 0.31 0.00 0.00 61.69 63.11 2jqz s THR 52 Cb -0.26 -3.65 0.05 0.00 0.01 0.00 0.00 72.50 68.65 2jqz s THR 52 CO 0.68 0.01 0.07 -0.69 -0.69 0.00 0.00 174.62 174.00 2jqz s VAL 53 N -1.73 3.41 0.32 3.82 1.01 0.73 -4.98 120.40 122.99 2jqz s VAL 53 Ca 0.45 -1.31 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 2jqz s VAL 53 Cb -0.12 -2.98 -0.11 0.00 0.00 0.00 0.00 36.38 33.17 2jqz s VAL 53 CO 0.20 -0.19 1.58 -0.54 0.00 0.00 0.00 175.10 176.15 2jqz s LYS 54 N 1.32 4.11 0.00 2.72 1.02 -1.26 -3.07 119.74 124.58 2jqz s LYS 54 Ca -0.02 2.60 0.00 0.00 0.02 0.00 0.00 55.97 58.56 2jqz s LYS 54 Cb -0.20 -3.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 2jqz s LYS 54 CO 0.01 -0.62 0.00 0.27 -0.92 0.00 0.00 175.35 174.08 2jqz n ASN 55 N 1.69 0.00 -3.95 2.83 2.04 -1.14 -4.92 115.26 111.81 2jqz n ASN 55 Ca 0.06 0.00 -0.09 0.00 -0.44 0.00 0.00 54.58 54.11 2jqz n ASN 55 Cb 0.38 0.00 -0.08 0.00 -2.53 0.00 0.00 39.78 37.55 2jqz n ASN 55 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 2jqz s THR 56 N 0.00 0.11 0.00 5.53 -1.32 -0.77 -4.93 115.64 114.27 2jqz s THR 56 Ca 0.00 -1.39 0.00 0.00 -1.21 0.00 0.00 61.69 59.09 2jqz s THR 56 Cb 0.00 -1.66 0.00 0.00 -1.51 0.00 0.00 72.50 69.33 2jqz s THR 56 CO 0.00 -0.49 0.65 0.18 -2.21 0.00 0.00 174.62 172.75 2jqz n LEU 57 N -0.12 1.23 -2.76 9.08 4.77 -1.26 -4.44 117.00 123.49 2jqz n LEU 57 Ca -0.10 -1.23 -0.04 0.00 -0.03 0.00 0.00 56.01 54.61 2jqz n LEU 57 Cb 0.63 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.73 2jqz n LEU 57 CO 0.24 0.31 0.13 -0.90 -1.33 0.00 0.00 177.39 175.84 2jqz n ASP 58 N -0.19 -3.40 -2.06 -1.43 5.75 -1.26 -1.79 116.55 112.18 2jqz n ASP 58 Ca 0.00 -2.86 -0.01 0.00 -0.01 0.00 0.00 54.79 51.91 2jqz n ASP 58 Cb 0.14 1.73 0.01 0.00 -1.03 0.00 0.00 41.12 41.97 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 2.91 0.09 -3.60 0.11 -0.04 -1.22 -4.91 135.00 128.35 2jqz n PRO 59 Ca 0.18 -0.06 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 2jqz n PRO 59 Cb 0.56 -0.03 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 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 -2.95 0.63 0.00 0.54 0.00 -1.26 -3.11 119.74 113.59 2jqz s LYS 60 Ca 0.02 0.39 0.00 0.00 0.00 0.00 0.00 55.97 56.38 2jqz s LYS 60 Cb -0.00 0.30 0.00 0.00 0.00 0.00 0.00 37.83 38.13 2jqz s LYS 60 CO 0.01 -0.15 0.00 0.91 0.00 0.00 0.00 175.35 176.13 2jqz n TRP 61 N 1.45 0.00 -3.97 1.78 8.01 -1.13 -4.99 117.44 118.59 2jqz n TRP 61 Ca -0.12 0.00 -0.31 0.00 -1.31 0.00 0.00 57.50 55.76 2jqz n TRP 61 Cb 0.57 0.00 0.01 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 -1.80 -4.06 -4.31 -0.99 4.05 0.20 -4.97 115.26 103.39 2jqz n ASN 62 Ca 0.00 -0.84 -0.30 0.00 0.45 0.00 0.00 54.58 53.89 2jqz n ASN 62 Cb 0.17 -3.62 -0.16 0.00 1.23 0.00 0.00 39.78 37.40 2jqz n ASN 62 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2jqz s GLN 63 N -6.64 1.98 0.06 1.20 -0.21 -1.09 -4.92 119.66 110.04 2jqz s GLN 63 Ca 0.61 -0.96 0.08 0.00 0.02 0.00 0.00 55.36 55.11 2jqz s GLN 63 Cb -0.31 -1.98 -0.03 0.00 1.00 0.00 0.00 33.01 31.69 2jqz s GLN 63 CO 0.85 0.53 -0.22 -3.38 -2.12 0.00 0.00 175.29 170.96 2jqz s HIS 64 N -0.65 1.93 -0.03 0.91 -3.43 -1.26 -0.26 115.29 112.50 2jqz s HIS 64 Ca 0.10 -0.39 0.06 0.00 -0.80 0.00 0.00 55.06 54.03 2jqz s HIS 64 Cb -0.10 -1.13 -0.01 0.00 -1.43 0.00 0.00 32.58 29.92 2jqz s HIS 64 CO -0.00 0.14 -0.22 0.71 -2.00 0.00 0.00 174.74 173.37 2jqz s TYR 65 N -0.89 2.02 -0.27 0.38 2.02 -1.03 -4.93 117.35 114.65 2jqz s TYR 65 Ca 0.08 -0.50 -0.11 0.00 -0.37 0.00 0.00 57.07 56.18 2jqz s TYR 65 Cb -0.09 -1.32 -0.05 0.00 -0.40 0.00 0.00 41.96 40.09 2jqz s TYR 65 CO 0.03 -0.12 0.19 -0.51 -1.57 0.00 0.00 175.55 173.57 2jqz s ASP 66 N -0.28 6.05 0.01 2.29 1.11 -1.26 -2.13 116.67 122.46 2jqz s ASP 66 Ca 0.02 0.03 0.04 0.00 0.18 0.00 0.00 52.55 52.82 2jqz s ASP 66 Cb -0.11 -2.12 -0.01 0.00 1.07 0.00 0.00 42.92 41.75 2jqz s ASP 66 CO 0.01 -0.03 -0.12 -0.76 1.18 0.00 0.00 175.17 175.45 2jqz s LEU 67 N 1.62 2.07 0.31 1.23 1.43 -0.21 -4.94 118.68 120.19 2jqz s LEU 67 Ca 0.08 -0.28 -0.27 0.00 -1.03 0.00 0.00 54.13 52.62 2jqz s LEU 67 Cb -0.15 -0.56 -0.10 0.00 0.03 0.00 0.00 46.19 45.41 2jqz s LEU 67 CO 0.10 0.09 0.96 -0.31 0.23 0.00 0.00 176.35 177.42 2jqz s TYR 68 N -0.47 3.71 -0.22 0.29 2.02 -1.26 -2.23 117.35 119.19 2jqz s TYR 68 Ca 0.03 1.80 0.02 0.00 -0.37 0.00 0.00 57.07 58.55 2jqz s TYR 68 Cb -0.05 -2.96 0.04 0.00 -0.40 0.00 0.00 41.96 38.59 2jqz s TYR 68 CO 0.00 0.17 -0.14 0.42 -1.57 0.00 0.00 175.55 174.43 2jqz s ILE 69 N -1.53 2.06 0.00 2.71 -1.09 -0.51 -4.87 121.20 117.97 2jqz s ILE 69 Ca 0.49 -1.31 0.00 0.00 -2.23 0.00 0.00 60.65 57.60 2jqz s ILE 69 Cb -0.21 -2.05 0.00 0.00 -1.58 0.00 0.00 42.46 38.62 2jqz s ILE 69 CO 0.26 0.20 0.00 0.61 -1.23 0.00 0.00 174.94 174.78 2jqz n GLY 70 N 4.53 -2.60 0.25 6.18 0.00 -1.26 -2.28 105.19 110.02 2jqz n GLY 70 Ca -0.17 -1.36 -0.11 0.00 0.00 0.00 0.00 46.02 44.38 2jqz n GLY 70 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jqz h LYS 71 N 0.00 0.86 -1.80 1.61 -0.00 -2.00 -3.29 116.57 111.96 2jqz h LYS 71 Ca 0.00 -0.35 -0.55 0.00 -0.00 0.00 0.00 60.65 59.75 2jqz h LYS 71 Cb 0.00 -0.04 -0.42 0.00 -0.00 0.00 0.00 32.23 31.78 2jqz h LYS 71 CO 0.00 0.99 -0.80 0.45 -0.00 0.00 0.00 179.45 180.09 2jqz n SER 72 N -4.24 3.84 -4.64 7.07 2.88 -1.26 -5.00 113.62 112.27 2jqz n SER 72 Ca -0.01 -3.52 -0.23 0.00 -1.33 0.00 0.00 58.87 53.79 2jqz n SER 72 Cb 0.40 -0.52 -0.08 0.00 -0.75 0.00 0.00 64.21 63.27 2jqz n SER 72 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jqz s ASP 73 N -3.35 4.43 -0.01 -3.46 2.15 -1.24 -5.02 116.67 110.17 2jqz s ASP 73 Ca 0.45 -0.73 -0.14 0.00 0.43 0.00 0.00 52.55 52.56 2jqz s ASP 73 Cb 0.36 -0.75 0.02 0.00 -0.30 0.00 0.00 42.92 42.25 2jqz s ASP 73 CO -0.13 -0.05 0.28 -0.94 -0.17 0.00 0.00 175.17 174.16 2jqz s SER 74 N -3.68 -0.15 0.04 -0.34 1.04 -1.26 -2.40 113.70 106.95 2jqz s SER 74 Ca 0.32 0.01 0.08 0.00 0.48 0.00 0.00 55.95 56.85 2jqz s SER 74 Cb -0.05 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 2jqz s SER 74 CO 0.20 -0.45 -0.24 -0.69 0.98 0.00 0.00 173.24 173.03 2jqz s VAL 75 N -1.45 1.94 -0.20 5.02 1.01 -0.94 -3.85 120.40 121.93 2jqz s VAL 75 Ca -0.13 -1.27 -0.01 0.00 0.00 0.00 0.00 61.98 60.57 2jqz s VAL 75 Cb -0.05 -1.66 0.05 0.00 0.00 0.00 0.00 36.38 34.72 2jqz s VAL 75 CO 0.03 0.33 -0.03 -0.89 0.00 0.00 0.00 175.10 174.55 2jqz s THR 76 N -0.77 1.10 -0.39 3.92 2.01 -1.07 -2.33 115.64 118.12 2jqz s THR 76 Ca 0.10 -0.83 -0.21 0.00 0.31 0.00 0.00 61.69 61.06 2jqz s THR 76 Cb -0.09 -1.41 0.01 0.00 0.01 0.00 0.00 72.50 71.02 2jqz s THR 76 CO 0.02 -0.05 0.66 -0.63 -0.69 0.00 0.00 174.62 173.92 2jqz s ILE 77 N 1.61 4.83 -0.13 1.82 1.01 -0.08 -2.44 121.20 127.82 2jqz s ILE 77 Ca -0.02 0.44 -0.01 0.00 0.00 0.00 0.00 60.65 61.05 2jqz s ILE 77 Cb -0.17 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.12 2jqz s ILE 77 CO -0.07 -0.45 -0.09 -0.94 0.00 0.00 0.00 174.94 173.39 2jqz s SER 78 N 1.90 4.42 -0.08 3.58 1.04 -0.51 -0.00 113.70 124.04 2jqz s SER 78 Ca 0.25 -0.20 -0.14 0.00 0.48 0.00 0.00 55.95 56.34 2jqz s SER 78 Cb -0.14 -1.57 -0.05 0.00 0.10 0.00 0.00 66.02 64.36 2jqz s SER 78 CO 0.17 0.21 0.34 -0.69 0.98 0.00 0.00 173.24 174.25 2jqz s VAL 79 N 0.13 5.20 0.07 5.02 1.01 -0.86 -0.44 120.40 130.53 2jqz s VAL 79 Ca -0.04 0.68 0.06 0.00 0.00 0.00 0.00 61.98 62.68 2jqz s VAL 79 Cb -0.14 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2jqz s VAL 79 CO 0.04 0.50 -0.17 0.26 0.00 0.00 0.00 175.10 175.73 2jqz s TRP 80 N -0.41 1.44 -0.71 5.22 0.52 -0.48 -0.20 118.94 124.32 2jqz s TRP 80 Ca 0.21 -0.42 -0.22 0.00 0.02 0.00 0.00 56.10 55.68 2jqz s TRP 80 Cb -0.15 -0.81 0.08 0.00 -1.15 0.00 0.00 33.47 31.43 2jqz s TRP 80 CO 0.09 0.10 1.01 -0.80 0.02 0.00 0.00 176.95 177.37 2jqz s ASN 81 N -1.62 6.24 0.33 2.95 0.02 0.79 -1.85 114.94 121.80 2jqz s ASN 81 Ca 0.02 -1.12 0.11 0.00 -1.02 0.00 0.00 52.86 50.84 2jqz s ASN 81 Cb -0.09 -2.43 1.02 0.00 0.02 0.00 0.00 41.25 39.77 2jqz s ASN 81 CO 0.03 -1.41 1.60 -0.74 0.02 0.00 0.00 177.10 176.60 2jqz h HIS 82 N 9.50 0.49 0.05 2.20 -0.00 -1.47 0.31 115.15 126.22 2jqz h HIS 82 Ca -0.21 0.05 0.02 0.00 -0.00 0.00 0.00 60.37 60.23 2jqz h HIS 82 Cb 1.06 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 28.38 2jqz h HIS 82 CO 1.01 -0.38 -0.22 0.87 -0.00 0.00 0.00 177.93 179.20 2jqz h LYS 83 N 0.08 -0.37 0.00 5.26 1.79 -1.91 -2.83 116.57 118.59 2jqz h LYS 83 Ca 0.71 0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 59.08 2jqz h LYS 83 Cb 1.66 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 32.38 2jqz h LYS 83 CO -0.78 -0.25 -0.57 -0.22 -1.08 0.00 0.00 179.45 176.56 2jqz h LYS 84 N -0.38 0.00 -0.23 3.15 1.63 -0.92 -1.85 116.57 117.97 2jqz h LYS 84 Ca 0.05 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.91 2jqz h LYS 84 Cb 0.44 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 2jqz h LYS 84 CO -0.17 0.57 0.18 -0.84 -3.45 0.00 0.00 179.45 175.73 2jqz h ILE 85 N 0.00 0.80 0.00 2.00 3.07 -0.38 0.60 117.51 123.60 2jqz h ILE 85 Ca -0.01 0.00 -0.07 0.00 1.55 0.00 0.00 64.86 66.33 2jqz h ILE 85 Cb 1.41 0.87 -0.01 0.00 -0.27 0.00 0.00 36.82 38.83 2jqz h ILE 85 CO 0.07 0.00 -1.22 1.57 -1.05 0.00 0.00 178.15 177.52 2jqz n HIS 86 N -4.33 0.93 -0.08 0.16 -0.00 -1.09 -4.36 115.22 106.45 2jqz n HIS 86 Ca 0.03 0.29 -0.12 0.00 0.46 0.00 0.00 57.72 58.37 2jqz n HIS 86 Cb 0.32 -0.99 -0.08 0.00 -0.12 0.00 0.00 29.99 29.12 2jqz n HIS 86 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 2jqz h LYS 87 N 0.00 -0.36 0.00 1.57 1.63 0.11 -3.47 116.57 116.04 2jqz h LYS 87 Ca -0.07 0.02 0.23 0.00 -0.85 0.00 0.00 60.65 59.99 2jqz h LYS 87 Cb 1.24 0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.91 2jqz h LYS 87 CO 0.02 -0.24 0.61 1.17 -3.45 0.00 0.00 179.45 177.56 2jqz n LYS 88 N -4.92 0.15 -1.78 1.90 3.00 -1.12 -5.06 118.16 110.33 2jqz n LYS 88 Ca -0.04 -0.57 -0.41 0.00 -0.00 0.00 0.00 58.31 57.29 2jqz n LYS 88 Cb 0.29 0.92 -0.01 0.00 0.00 0.00 0.00 35.03 36.24 2jqz n LYS 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2jqz s GLN 89 N -2.01 4.11 0.00 1.64 0.74 -1.26 -2.08 119.66 120.80 2jqz s GLN 89 Ca 0.21 2.59 0.00 0.00 0.05 0.00 0.00 55.36 58.21 2jqz s GLN 89 Cb -0.01 -3.00 0.00 0.00 1.10 0.00 0.00 33.01 31.11 2jqz s GLN 89 CO -0.00 -0.60 0.00 0.41 -0.55 0.00 0.00 175.29 174.55 2jqz n GLY 90 N 1.43 1.21 3.70 2.59 0.00 -1.26 -4.94 105.19 107.93 2jqz n GLY 90 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2jqz n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqz s ALA 91 N 0.00 3.56 0.00 4.61 0.00 -0.88 -3.95 121.76 125.09 2jqz s ALA 91 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.96 2jqz s ALA 91 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2jqz s ALA 91 CO 0.00 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.46 2jqz n GLY 92 N 3.52 0.08 3.69 0.00 0.00 -1.22 -3.01 105.19 108.25 2jqz n GLY 92 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.69 3.47 -0.54 1.61 5.36 -1.25 -0.15 117.98 125.78 2jqz s PHE 93 Ca 0.00 1.14 0.07 0.00 -0.96 0.00 0.00 56.93 57.18 2jqz s PHE 93 Cb 0.00 -2.85 0.29 0.00 -0.34 0.00 0.00 43.02 40.12 2jqz s PHE 93 CO 0.00 -0.08 0.78 1.28 -1.46 0.00 0.00 175.22 175.73 2jqz n LEU 94 N 4.58 3.04 -1.95 6.12 7.99 0.73 -4.70 117.00 132.81 2jqz n LEU 94 Ca 0.00 -5.35 0.00 0.00 -0.01 0.00 0.00 56.01 50.65 2jqz n LEU 94 Cb 0.50 -0.23 0.00 0.00 -0.11 0.00 0.00 43.42 43.58 2jqz n LEU 94 CO 0.46 2.19 -0.43 0.61 -1.51 0.00 0.00 177.39 178.72 2jqz n GLY 95 N 0.49 -5.26 3.83 -0.72 0.00 -1.24 -4.10 105.19 98.18 2jqz n GLY 95 Ca 0.28 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.17 4.33 -0.11 0.00 -7.23 0.99 -4.63 120.40 112.58 2jqz s VAL 97 Ca 0.22 -0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.20 2jqz s VAL 97 Cb -0.12 -2.96 0.02 0.00 0.56 0.00 0.00 36.38 33.88 2jqz s VAL 97 CO 0.12 0.43 -0.10 -0.60 -0.31 0.00 0.00 175.10 174.64 2jqz s ARG 98 N 0.80 1.77 -0.09 4.82 3.52 -1.26 -0.90 118.95 127.60 2jqz s ARG 98 Ca 0.02 -0.37 0.04 0.00 -0.13 0.00 0.00 55.73 55.29 2jqz s ARG 98 Cb -0.14 -1.69 0.00 0.00 -1.56 0.00 0.00 34.95 31.56 2jqz s ARG 98 CO 0.02 -0.19 -0.22 -0.51 -0.81 0.00 0.00 175.30 173.59 2jqz s LEU 99 N 1.43 2.02 0.00 -0.88 2.01 -0.98 -5.04 118.68 117.23 2jqz s LEU 99 Ca 0.01 -0.52 -0.01 0.00 0.01 0.00 0.00 54.13 53.62 2jqz s LEU 99 Cb -0.13 -1.32 0.01 0.00 0.01 0.00 0.00 46.19 44.76 2jqz s LEU 99 CO -0.06 0.14 0.09 0.18 1.01 0.00 0.00 176.35 177.71 2jqz n LEU 100 N 3.56 0.00 -0.09 1.79 4.77 -1.26 -2.21 117.00 123.57 2jqz n LEU 100 Ca -0.20 -0.14 -0.10 0.00 -0.03 0.00 0.00 56.01 55.54 2jqz n LEU 100 Cb 0.53 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 2jqz n LEU 100 CO 0.28 -0.56 0.87 -1.28 -1.33 0.00 0.00 177.39 175.37 2jqz h SER 101 N -0.09 0.39 -0.34 -1.43 0.87 -1.86 0.23 113.55 111.31 2jqz h SER 101 Ca -0.03 -0.18 -0.09 0.00 -1.23 0.00 0.00 61.79 60.26 2jqz h SER 101 Cb 0.10 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2jqz h SER 101 CO 0.03 0.46 -0.14 -0.55 -0.53 0.00 0.00 176.83 176.10 2jqz h ASN 102 N 0.29 0.71 -0.17 6.23 7.08 -1.95 -2.54 115.58 125.24 2jqz h ASN 102 Ca 0.09 -0.39 -0.08 0.00 -3.08 0.00 0.00 56.30 52.84 2jqz h ASN 102 Cb 0.20 -0.20 -0.02 0.00 -2.08 0.00 0.00 38.32 36.23 2jqz h ASN 102 CO -0.01 0.94 -0.15 0.00 -2.08 0.00 0.00 177.43 176.14 2jqz h ALA 103 N 0.79 1.15 -0.73 4.14 0.00 -1.90 -2.63 119.26 120.07 2jqz h ALA 103 Ca 0.08 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 2jqz h ALA 103 Cb 0.66 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2jqz h ALA 103 CO 0.04 0.54 0.24 0.82 0.00 0.00 0.00 179.25 180.89 2jqz h ILE 104 N 0.51 1.26 0.31 0.00 2.04 -0.37 -1.10 117.51 120.15 2jqz h ILE 104 Ca 0.09 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 2jqz h ILE 104 Cb 0.56 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2jqz h ILE 104 CO 0.04 0.35 -0.15 -1.13 0.00 0.00 0.00 178.15 177.26 2jqz h ASN 105 N 1.08 -0.35 -0.92 1.72 -1.24 -1.24 0.39 115.58 115.02 2jqz h ASN 105 Ca 0.24 -0.19 0.08 0.00 0.71 0.00 0.00 56.30 57.14 2jqz h ASN 105 Cb 0.29 0.09 -0.07 0.00 0.73 0.00 0.00 38.32 39.36 2jqz h ASN 105 CO -0.01 0.10 0.57 0.03 -1.29 0.00 0.00 177.43 176.83 2jqz h ARG 106 N -0.92 0.97 0.00 6.67 3.08 -1.51 -1.56 114.38 121.11 2jqz h ARG 106 Ca -0.04 -0.06 -0.21 0.00 0.07 0.00 0.00 59.98 59.74 2jqz h ARG 106 Cb 0.51 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2jqz h ARG 106 CO 0.07 0.64 -0.90 -0.07 -1.07 0.00 0.00 179.97 178.65 2jqz h LEU 107 N 1.00 0.35 -1.87 3.04 4.07 -1.25 -2.69 115.31 117.97 2jqz h LEU 107 Ca 0.42 -0.28 0.19 0.00 0.08 0.00 0.00 57.88 58.29 2jqz h LEU 107 Cb 0.25 -0.11 -0.04 0.00 1.08 0.00 0.00 40.66 41.85 2jqz h LEU 107 CO -0.20 1.08 0.51 0.07 -1.08 0.00 0.00 178.44 178.82 2jqz h LYS 108 N 0.15 0.11 0.00 1.13 5.09 0.83 0.11 116.57 124.00 2jqz h LYS 108 Ca -0.06 -0.01 -0.30 0.00 0.09 0.00 0.00 60.65 60.38 2jqz h LYS 108 Cb 1.53 -0.03 -0.05 0.00 0.10 0.00 0.00 32.23 33.78 2jqz h LYS 108 CO 0.14 0.07 -1.75 -3.47 -2.09 0.00 0.00 179.45 172.35 2jqz n ASP 109 N -4.38 0.85 0.12 7.07 -0.08 -1.12 -3.03 116.55 115.97 2jqz n ASP 109 Ca 0.14 0.39 -0.15 0.00 -1.51 0.00 0.00 54.79 53.66 2jqz n ASP 109 Cb 0.71 -0.02 -0.09 0.00 2.34 0.00 0.00 41.12 44.06 2jqz n ASP 109 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2jqz h THR 110 N 0.00 0.00 0.00 5.18 1.35 -0.44 -3.47 112.91 115.53 2jqz h THR 110 Ca -0.30 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2jqz h THR 110 Cb 2.03 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2jqz h THR 110 CO 0.08 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 2jqz n GLY 111 N -1.45 0.91 3.64 5.82 0.00 -0.99 -4.98 105.19 108.15 2jqz n GLY 111 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.20 -0.21 1.61 2.02 -1.26 -4.29 117.35 113.02 2jqz s TYR 112 Ca 0.00 0.48 -0.06 0.00 -0.37 0.00 0.00 57.07 57.11 2jqz s TYR 112 Cb 0.00 0.44 0.10 0.00 -0.40 0.00 0.00 41.96 42.11 2jqz s TYR 112 CO 0.00 -0.09 0.44 -0.65 -1.57 0.00 0.00 175.55 173.67 2jqz s GLN 113 N 0.09 0.35 -0.58 -0.62 -1.52 0.61 -4.79 119.66 113.20 2jqz s GLN 113 Ca 0.06 1.01 -0.17 0.00 -1.95 0.00 0.00 55.36 54.32 2jqz s GLN 113 Cb -0.05 0.29 0.13 0.00 -0.22 0.00 0.00 33.01 33.16 2jqz s GLN 113 CO -0.12 -0.30 0.59 1.03 -0.25 0.00 0.00 175.29 176.23 2jqz s ARG 114 N 2.64 3.06 -0.24 2.91 0.52 -1.26 -1.17 118.95 125.41 2jqz s ARG 114 Ca 0.00 -1.66 -0.07 0.00 -0.52 0.00 0.00 55.73 53.48 2jqz s ARG 114 Cb -0.12 -4.31 -0.03 0.00 0.52 0.00 0.00 34.95 31.01 2jqz s ARG 114 CO -0.14 -1.39 0.05 -0.51 0.02 0.00 0.00 175.30 173.33 2jqz s LEU 115 N 1.80 3.39 0.08 2.53 1.43 -0.23 -4.93 118.68 122.75 2jqz s LEU 115 Ca 0.07 -0.21 -0.31 0.00 -1.03 0.00 0.00 54.13 52.65 2jqz s LEU 115 Cb -0.26 -1.90 -0.08 0.00 0.03 0.00 0.00 46.19 43.98 2jqz s LEU 115 CO 0.03 -0.01 1.46 -1.81 0.23 0.00 0.00 176.35 176.25 2jqz s ASP 116 N 1.46 6.76 0.01 2.29 1.01 -1.26 -1.27 116.67 125.68 2jqz s ASP 116 Ca 0.05 2.34 -0.29 0.00 0.71 0.00 0.00 52.55 55.36 2jqz s ASP 116 Cb -0.15 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 2jqz s ASP 116 CO 0.03 -0.73 0.96 -0.76 0.21 0.00 0.00 175.17 174.87 2jqz s LEU 117 N 1.71 4.39 0.29 1.23 1.43 0.14 -4.86 118.68 123.00 2jqz s LEU 117 Ca 0.67 1.65 -0.20 0.00 -1.03 0.00 0.00 54.13 55.22 2jqz s LEU 117 Cb -0.37 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.37 2jqz s LEU 117 CO 0.30 -0.22 0.85 0.00 0.23 0.00 0.00 176.35 177.51 2jqz n LYS 119 N -0.54 -1.48 0.12 0.00 -0.00 -1.26 -3.90 118.16 111.10 2jqz n LYS 119 Ca -0.06 -0.40 -0.02 0.00 -0.00 0.00 0.00 58.31 57.82 2jqz n LYS 119 Cb 0.60 -1.87 0.09 0.00 -0.00 0.00 0.00 35.03 33.85 2jqz n LYS 119 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2jqz h LEU 120 N -2.10 0.00 -7.28 -5.58 -0.00 -1.97 -3.48 115.31 94.91 2jqz h LEU 120 Ca -0.53 0.00 0.20 0.00 -0.00 0.00 0.00 57.88 57.56 2jqz h LEU 120 Cb 1.33 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 41.87 2jqz h LEU 120 CO 0.40 0.71 0.62 -0.83 -0.00 0.00 0.00 178.44 179.34 2jqz s GLY 121 N -4.53 -0.35 0.92 0.83 0.00 -1.26 -5.15 107.32 97.78 2jqz s GLY 121 Ca -0.00 0.73 -0.12 0.00 0.00 0.00 0.00 44.72 45.33 2jqz s GLY 121 CO 0.77 0.21 1.10 -4.14 0.00 0.00 0.00 173.10 171.04 2jqz s PRO 122 N -2.91 1.05 0.00 2.90 0.02 -1.26 -3.57 135.00 131.23 2jqz s PRO 122 Ca 0.10 0.60 0.00 0.00 0.02 0.00 0.00 61.00 61.73 2jqz s PRO 122 Cb 0.00 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.72 2jqz s PRO 122 CO -0.03 -2.33 0.00 0.09 -0.33 0.00 0.00 177.00 174.40 2jqz n ASN 123 N -3.91 0.00 -4.69 2.53 5.03 -1.26 -4.93 115.26 108.03 2jqz n ASN 123 Ca 0.06 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.13 2jqz n ASN 123 Cb 0.57 -0.96 -0.07 0.00 -1.02 0.00 0.00 39.78 38.30 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 -2.70 6.56 -0.33 6.41 1.01 -1.23 -4.99 116.67 121.40 2jqz s ASP 124 Ca 0.00 0.67 -0.32 0.00 0.71 0.00 0.00 52.55 53.60 2jqz s ASP 124 Cb 0.00 -2.27 -0.09 0.00 1.01 0.00 0.00 42.92 41.57 2jqz s ASP 124 CO 0.00 -0.07 2.22 0.59 0.21 0.00 0.00 175.17 178.13 2jqz n ASN 125 N 4.21 2.46 -3.41 0.27 3.02 -1.26 -4.90 115.26 115.65 2jqz n ASN 125 Ca -0.07 0.29 -0.14 0.00 -0.03 0.00 0.00 54.58 54.64 2jqz n ASN 125 Cb 0.51 -1.36 -0.10 0.00 -0.61 0.00 0.00 39.78 38.22 2jqz n ASN 125 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2jqz s ASP 126 N 7.92 0.86 -0.31 6.41 1.01 -1.26 -5.01 116.67 126.29 2jqz s ASP 126 Ca 1.07 -0.09 -0.07 0.00 0.71 0.00 0.00 52.55 54.18 2jqz s ASP 126 Cb -0.67 0.75 -0.23 0.00 1.01 0.00 0.00 42.92 43.78 2jqz s ASP 126 CO 0.44 -0.32 3.50 0.35 0.21 0.00 0.00 175.17 179.34 2jqz n THR 127 N 5.34 3.26 -3.38 -1.27 -2.24 -1.26 -4.89 114.28 109.83 2jqz n THR 127 Ca -0.04 -1.72 -0.25 0.00 -2.27 0.00 0.00 64.05 59.76 2jqz n THR 127 Cb 0.49 -2.11 -0.02 0.00 -2.10 0.00 0.00 70.33 66.60 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 1.18 5.09 0.00 2.28 -7.23 -1.26 -4.79 120.40 115.67 2jqz s VAL 128 Ca 0.67 -0.31 0.00 0.00 -1.81 0.00 0.00 61.98 60.53 2jqz s VAL 128 Cb 0.29 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 33.42 2jqz s VAL 128 CO -0.01 -0.47 0.00 -1.14 -0.31 0.00 0.00 175.10 173.16 2jqz n ARG 129 N -1.49 0.00 -3.18 4.82 0.63 -1.26 -4.95 116.66 111.24 2jqz n ARG 129 Ca -0.04 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.86 2jqz n ARG 129 Cb 0.55 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.48 2jqz n ARG 129 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jqz n GLY 130 N 0.00 0.86 3.36 5.14 0.00 -0.96 -2.61 105.19 110.98 2jqz n GLY 130 Ca 0.00 -1.10 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 2jqz n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jqz s GLN 131 N -2.04 1.68 -0.27 1.61 1.11 0.15 0.26 119.66 122.15 2jqz s GLN 131 Ca 0.16 -1.78 -0.25 0.00 0.01 0.00 0.00 55.36 53.50 2jqz s GLN 131 Cb -0.02 0.37 0.07 0.00 -1.01 0.00 0.00 33.01 32.42 2jqz s GLN 131 CO 0.05 -0.64 0.73 -1.50 0.01 0.00 0.00 175.29 173.94 2jqz s ILE 132 N -3.51 0.00 -0.18 1.08 2.07 -0.39 -0.94 121.20 119.33 2jqz s ILE 132 Ca 0.35 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.55 2jqz s ILE 132 Cb 0.02 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.59 2jqz s ILE 132 CO 0.20 0.00 -0.01 -0.69 -1.91 0.00 0.00 174.94 172.53 2jqz s VAL 133 N 0.35 3.96 0.33 4.00 1.01 0.82 -1.07 120.40 129.80 2jqz s VAL 133 Ca -0.00 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.70 2jqz s VAL 133 Cb -0.05 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 2jqz s VAL 133 CO 0.01 0.46 0.17 1.33 0.00 0.00 0.00 175.10 177.07 2jqz n VAL 134 N 3.90 0.00 -3.72 2.92 0.24 -0.32 -1.25 118.33 120.10 2jqz n VAL 134 Ca -0.17 -2.09 -0.12 0.00 -2.04 0.00 0.00 64.34 59.91 2jqz n VAL 134 Cb 0.52 0.86 -0.13 0.00 -1.47 0.00 0.00 33.84 33.62 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 -0.23 -0.30 -1.34 1.04 -0.09 -0.28 113.70 109.37 2jqz s SER 135 Ca 0.24 0.53 -0.08 0.00 0.48 0.00 0.00 55.95 57.12 2jqz s SER 135 Cb 0.01 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2jqz s SER 135 CO 0.17 -0.17 0.11 -0.76 0.98 0.00 0.00 173.24 173.57 2jqz s LEU 136 N 1.33 3.92 -0.06 2.42 2.01 -1.26 -0.82 118.68 126.22 2jqz s LEU 136 Ca -0.09 -0.61 -0.05 0.00 0.01 0.00 0.00 54.13 53.39 2jqz s LEU 136 Cb -0.10 -1.93 0.02 0.00 0.01 0.00 0.00 46.19 44.18 2jqz s LEU 136 CO -0.09 -0.18 0.15 -1.58 1.01 0.00 0.00 176.35 175.66 2jqz s GLN 137 N 1.55 0.16 -0.00 1.70 0.74 -1.11 -2.71 119.66 119.99 2jqz s GLN 137 Ca 0.04 0.23 -0.30 0.00 0.05 0.00 0.00 55.36 55.38 2jqz s GLN 137 Cb -0.17 0.05 -0.03 0.00 1.10 0.00 0.00 33.01 33.96 2jqz s GLN 137 CO 0.04 -0.04 1.00 -1.54 -0.55 0.00 0.00 175.29 174.20 2jqz s SER 138 N 0.24 7.33 0.34 6.67 1.04 -1.23 -2.36 113.70 125.72 2jqz s SER 138 Ca -0.01 1.68 -0.06 0.00 0.48 0.00 0.00 55.95 58.04 2jqz s SER 138 Cb -0.02 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 2jqz s SER 138 CO -0.01 -0.30 0.63 -0.13 0.98 0.00 0.00 173.24 174.41 2jqz s ARG 139 N 1.12 3.64 0.00 4.02 1.81 -0.93 -4.95 118.95 123.67 2jqz s ARG 139 Ca 0.52 0.11 0.13 0.00 -1.72 0.00 0.00 55.73 54.77 2jqz s ARG 139 Cb -0.22 -2.56 0.11 0.00 -0.45 0.00 0.00 34.95 31.83 2jqz s ARG 139 CO 0.27 0.10 0.92 -3.47 -0.68 0.00 0.00 175.30 172.45