#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 -1.28 -5.24 1.61 -0.04 -1.26 -4.96 135.00 123.83 2jqz n PRO 11 Ca 0.00 -0.33 -0.31 0.00 -0.04 0.00 0.00 63.50 62.81 2jqz n PRO 11 Cb 0.00 -2.06 -0.16 0.00 -0.04 0.00 0.00 33.50 31.24 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 -2.43 2.18 -0.70 0.52 -7.23 -0.94 -4.83 120.40 106.96 2jqz s VAL 12 Ca 0.63 -1.04 -0.25 0.00 -1.81 0.00 0.00 61.98 59.51 2jqz s VAL 12 Cb -0.21 -1.78 0.05 0.00 0.56 0.00 0.00 36.38 35.00 2jqz s VAL 12 CO 0.64 0.58 1.12 -0.75 -0.31 0.00 0.00 175.10 176.37 2jqz s LYS 13 N -0.45 3.16 -0.20 4.82 2.20 -1.26 -0.99 119.74 127.02 2jqz s LYS 13 Ca 0.05 -0.58 -0.09 0.00 -0.36 0.00 0.00 55.97 54.98 2jqz s LYS 13 Cb -0.11 -4.23 -0.05 0.00 -1.51 0.00 0.00 37.83 31.93 2jqz s LYS 13 CO 0.01 -1.97 0.11 -1.17 -0.36 0.00 0.00 175.35 171.96 2jqz s LEU 14 N 4.81 4.04 -0.24 5.43 1.98 -0.62 -1.56 118.68 132.52 2jqz s LEU 14 Ca 0.28 0.15 -0.05 0.00 -2.89 0.00 0.00 54.13 51.62 2jqz s LEU 14 Cb -0.13 -2.04 -0.01 0.00 0.66 0.00 0.00 46.19 44.67 2jqz s LEU 14 CO 0.12 0.16 0.01 -0.60 -1.89 0.00 0.00 176.35 174.14 2jqz s ARG 15 N 0.48 3.39 -0.36 1.98 3.52 -0.89 -1.55 118.95 125.53 2jqz s ARG 15 Ca 0.06 -0.63 -0.10 0.00 -0.13 0.00 0.00 55.73 54.92 2jqz s ARG 15 Cb -0.12 -3.16 0.02 0.00 -1.56 0.00 0.00 34.95 30.14 2jqz s ARG 15 CO -0.00 -0.24 0.19 -1.17 -0.81 0.00 0.00 175.30 173.26 2jqz s LEU 16 N 1.52 4.57 -0.42 -0.88 0.20 -1.00 -2.13 118.68 120.54 2jqz s LEU 16 Ca 0.05 -0.91 -0.19 0.00 0.69 0.00 0.00 54.13 53.78 2jqz s LEU 16 Cb -0.15 -2.01 0.02 0.00 -0.43 0.00 0.00 46.19 43.62 2jqz s LEU 16 CO -0.00 -0.34 0.52 -0.89 -0.29 0.00 0.00 176.35 175.35 2jqz s THR 17 N 1.56 4.98 -0.98 3.68 2.01 -0.17 -2.46 115.64 124.26 2jqz s THR 17 Ca 0.02 -0.13 -0.24 0.00 0.31 0.00 0.00 61.69 61.66 2jqz s THR 17 Cb -0.19 -4.10 0.04 0.00 0.01 0.00 0.00 72.50 68.26 2jqz s THR 17 CO 0.06 -0.48 1.48 -0.69 -0.69 0.00 0.00 174.62 174.30 2jqz s VAL 18 N 2.42 3.85 -0.00 3.82 1.01 0.10 -1.02 120.40 130.59 2jqz s VAL 18 Ca 0.17 -0.60 -0.24 0.00 0.00 0.00 0.00 61.98 61.31 2jqz s VAL 18 Cb -0.16 -4.94 -0.13 0.00 0.00 0.00 0.00 36.38 31.15 2jqz s VAL 18 CO 0.16 -1.84 0.98 0.25 0.00 0.00 0.00 175.10 174.65 2jqz h LEU 19 N 13.30 -0.71 -7.89 3.92 5.85 -1.65 0.57 115.31 128.69 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 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 2jqz h LEU 19 CO 1.39 -0.32 0.35 0.00 -0.34 0.00 0.00 178.44 179.53 2jqz s ALA 21 N -3.27 1.58 0.05 0.00 0.00 -0.81 -0.37 121.76 118.95 2jqz s ALA 21 Ca 0.13 -1.40 0.06 0.00 0.00 0.00 0.00 51.96 50.75 2jqz s ALA 21 Cb -0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 2jqz s ALA 21 CO 0.06 0.05 -0.16 0.15 0.00 0.00 0.00 175.76 175.86 2jqz s LYS 22 N -3.07 1.03 -0.06 0.00 -0.14 -0.02 -3.56 119.74 113.91 2jqz s LYS 22 Ca 0.13 -0.88 -0.05 0.00 -1.36 0.00 0.00 55.97 53.81 2jqz s LYS 22 Cb -0.03 -1.09 0.02 0.00 -1.68 0.00 0.00 37.83 35.05 2jqz s LYS 22 CO 0.03 0.27 0.09 -1.71 -0.76 0.00 0.00 175.35 173.27 2jqz n ASN 23 N 1.66 -4.22 -4.46 2.83 5.15 -0.77 -0.19 115.26 115.26 2jqz n ASN 23 Ca -0.19 1.31 -0.34 0.00 -0.60 0.00 0.00 54.58 54.77 2jqz n ASN 23 Cb 0.54 -3.67 -0.13 0.00 -0.53 0.00 0.00 39.78 36.00 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 -0.37 3.13 -0.23 1.20 2.01 -1.19 -3.14 118.68 120.10 2jqz s LEU 24 Ca -0.10 -0.18 -0.30 0.00 0.01 0.00 0.00 54.13 53.56 2jqz s LEU 24 Cb 0.01 -1.75 -0.07 0.00 0.01 0.00 0.00 46.19 44.39 2jqz s LEU 24 CO 0.28 0.16 2.20 0.55 1.01 0.00 0.00 176.35 180.55 2jqz n VAL 25 N 3.61 0.34 0.21 -1.59 3.14 -1.26 -4.74 118.33 118.04 2jqz n VAL 25 Ca -0.18 -0.41 0.03 0.00 -2.96 0.00 0.00 64.34 60.82 2jqz n VAL 25 Cb 0.52 -2.38 0.12 0.00 -1.06 0.00 0.00 33.84 31.05 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 8.57 0.03 0.00 1.45 2.85 -1.26 -4.53 118.16 125.27 2jqz n LYS 26 Ca 0.31 0.34 0.00 0.00 -1.05 0.00 0.00 58.31 57.91 2jqz n LYS 26 Cb 0.40 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.28 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 -1.41 0.00 -1.08 -1.58 4.76 -1.26 -3.55 118.16 114.03 2jqz n LYS 27 Ca 0.02 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.29 2jqz n LYS 27 Cb 0.05 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.17 2jqz n LYS 27 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2jqz n ASP 28 N 1.81 5.88 0.00 4.39 8.00 -1.26 -4.93 116.55 130.44 2jqz n ASP 28 Ca 0.00 -2.82 0.00 0.00 0.71 0.00 0.00 54.79 52.68 2jqz n ASP 28 Cb 0.00 -1.26 0.00 0.00 -0.02 0.00 0.00 41.12 39.84 2jqz n ASP 28 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2jqz n PHE 29 N 1.45 0.00 -0.21 1.24 3.01 -1.23 -0.96 117.46 120.75 2jqz n PHE 29 Ca 0.37 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.84 2jqz n PHE 29 Cb 0.68 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 40.27 2jqz n PHE 29 CO 0.00 0.00 0.00 0.74 1.01 0.00 0.00 176.76 178.51 2jqz h PHE 30 N 0.00 0.34 -3.33 1.38 0.04 -1.91 -3.43 116.94 110.04 2jqz h PHE 30 Ca 0.00 0.03 -0.44 0.00 2.80 0.00 0.00 57.97 60.36 2jqz h PHE 30 Cb 0.00 -0.06 0.21 0.00 2.20 0.00 0.00 35.95 38.30 2jqz h PHE 30 CO 0.00 0.05 0.03 1.03 -0.60 0.00 0.00 178.31 178.81 2jqz s ARG 31 N -6.09 -0.83 0.03 1.51 0.52 -0.14 -5.06 118.95 108.90 2jqz s ARG 31 Ca -0.13 0.85 0.04 0.00 -0.52 0.00 0.00 55.73 55.97 2jqz s ARG 31 Cb 0.18 -1.56 -0.02 0.00 0.52 0.00 0.00 34.95 34.07 2jqz s ARG 31 CO 0.75 -3.67 -0.11 -0.51 0.02 0.00 0.00 175.30 171.78 2jqz s LEU 32 N -7.18 2.17 0.37 2.53 2.01 -1.26 -4.60 118.68 112.73 2jqz s LEU 32 Ca 0.68 -0.43 -0.09 0.00 0.01 0.00 0.00 54.13 54.30 2jqz s LEU 32 Cb -0.25 -0.43 -0.06 0.00 0.01 0.00 0.00 46.19 45.46 2jqz s LEU 32 CO 0.64 -0.03 0.71 -2.16 1.01 0.00 0.00 176.35 176.52 2jqz s PRO 33 N -1.12 3.76 -0.86 1.29 0.04 -1.26 -4.64 135.00 132.20 2jqz s PRO 33 Ca -0.02 0.37 -0.00 0.00 0.04 0.00 0.00 61.00 61.39 2jqz s PRO 33 Cb -0.08 -2.46 0.22 0.00 0.04 0.00 0.00 34.50 32.22 2jqz s PRO 33 CO 0.01 0.04 0.76 -0.25 0.04 0.00 0.00 177.00 177.60 2jqz n ASP 34 N -1.13 4.07 -4.77 6.66 9.92 -1.26 -1.93 116.55 128.12 2jqz n ASP 34 Ca 0.01 -3.18 -0.40 0.00 -0.53 0.00 0.00 54.79 50.70 2jqz n ASP 34 Cb 0.54 -0.99 -0.00 0.00 -0.64 0.00 0.00 41.12 40.03 2jqz n ASP 34 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2jqz s PRO 35 N -1.52 4.00 0.24 -0.24 0.04 -1.17 -1.05 135.00 135.29 2jqz s PRO 35 Ca 0.28 2.36 -0.12 0.00 0.04 0.00 0.00 61.00 63.56 2jqz s PRO 35 Cb -0.05 -2.85 -0.01 0.00 0.04 0.00 0.00 34.50 31.64 2jqz s PRO 35 CO -0.12 -0.54 0.45 -0.59 0.04 0.00 0.00 177.00 176.24 2jqz s PHE 36 N -1.18 0.38 0.22 0.56 -0.71 -0.68 -0.06 117.98 116.51 2jqz s PHE 36 Ca 0.55 -0.74 0.11 0.00 -1.04 0.00 0.00 56.93 55.81 2jqz s PHE 36 Cb -0.42 0.14 -0.05 0.00 -1.21 0.00 0.00 43.02 41.48 2jqz s PHE 36 CO 0.56 -0.95 -0.21 0.00 -1.34 0.00 0.00 175.22 173.28 2jqz s ALA 37 N -4.02 2.49 -0.06 1.99 0.00 -1.13 -1.49 121.76 119.53 2jqz s ALA 37 Ca 0.22 -1.71 -0.03 0.00 0.00 0.00 0.00 51.96 50.45 2jqz s ALA 37 Cb 0.00 -0.26 0.04 0.00 0.00 0.00 0.00 23.12 22.90 2jqz s ALA 37 CO 0.08 0.31 0.12 0.15 0.00 0.00 0.00 175.76 176.42 2jqz s LYS 38 N -3.10 0.01 0.02 0.00 1.02 0.60 -0.22 119.74 118.07 2jqz s LYS 38 Ca 0.24 0.44 -0.19 0.00 0.02 0.00 0.00 55.97 56.48 2jqz s LYS 38 Cb -0.06 -0.30 -0.06 0.00 -0.52 0.00 0.00 37.83 36.89 2jqz s LYS 38 CO 0.11 -0.27 0.56 0.54 -0.92 0.00 0.00 175.35 175.37 2jqz s VAL 39 N 1.90 4.88 -0.02 3.17 0.11 0.90 -1.20 120.40 130.15 2jqz s VAL 39 Ca -0.00 1.17 0.01 0.00 -2.93 0.00 0.00 61.98 60.22 2jqz s VAL 39 Cb -0.12 -3.89 0.01 0.00 -1.53 0.00 0.00 36.38 30.85 2jqz s VAL 39 CO -0.05 0.48 -0.03 0.68 -3.33 0.00 0.00 175.10 172.85 2jqz s VAL 40 N -0.57 0.29 -0.29 2.04 -7.23 -0.95 -2.33 120.40 111.36 2jqz s VAL 40 Ca 0.29 -0.08 -0.02 0.00 -1.81 0.00 0.00 61.98 60.36 2jqz s VAL 40 Cb -0.18 -0.30 0.04 0.00 0.56 0.00 0.00 36.38 36.50 2jqz s VAL 40 CO 0.17 0.12 -0.00 -0.69 -0.31 0.00 0.00 175.10 174.39 2jqz s VAL 41 N 0.37 3.04 0.00 1.32 1.01 -1.07 -2.58 120.40 122.48 2jqz s VAL 41 Ca -0.04 -1.29 -0.05 0.00 0.00 0.00 0.00 61.98 60.60 2jqz s VAL 41 Cb -0.07 -2.71 -0.23 0.00 0.00 0.00 0.00 36.38 33.37 2jqz s VAL 41 CO -0.01 -0.06 3.35 -0.90 0.00 0.00 0.00 175.10 177.49 2jqz n ASP 42 N 4.65 5.07 0.00 3.32 5.75 -1.26 -1.73 116.55 132.34 2jqz n ASP 42 Ca -0.14 -2.44 0.00 0.00 -0.01 0.00 0.00 54.79 52.21 2jqz n ASP 42 Cb 0.44 -1.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.19 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 2.41 0.27 0.00 6.12 0.00 -1.26 -4.83 105.19 107.90 2jqz n GLY 43 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2jqz n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jqz n SER 44 N 0.00 1.68 0.00 1.61 3.41 -1.15 -5.03 113.62 114.14 2jqz n SER 44 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2jqz n SER 44 Cb 0.00 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2jqz n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jqz n GLY 45 N 1.49 0.57 3.61 5.00 0.00 -0.71 -5.02 105.19 110.13 2jqz n GLY 45 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.00 1.75 -5.16 1.61 6.02 -1.26 -4.72 117.38 113.62 2jqz n GLN 46 Ca 0.00 0.59 -0.30 0.00 -0.01 0.00 0.00 57.00 57.28 2jqz n GLN 46 Cb 0.00 -2.61 -0.16 0.00 1.02 0.00 0.00 30.24 28.48 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 -0.18 1.11 -0.21 0.00 3.76 -0.98 -4.93 115.29 113.86 2jqz s HIS 48 Ca -0.02 -1.34 -0.19 0.00 -0.15 0.00 0.00 55.06 53.36 2jqz s HIS 48 Cb -0.13 -0.51 0.05 0.00 1.11 0.00 0.00 32.58 33.11 2jqz s HIS 48 CO 0.03 -0.66 0.55 -1.54 -0.85 0.00 0.00 174.74 172.26 2jqz s SER 49 N -3.15 -0.58 0.14 1.40 1.04 -1.26 -0.07 113.70 111.23 2jqz s SER 49 Ca 0.38 1.11 -0.06 0.00 0.48 0.00 0.00 55.95 57.86 2jqz s SER 49 Cb 0.06 1.12 -0.06 0.00 0.10 0.00 0.00 66.02 67.25 2jqz s SER 49 CO 0.12 -0.19 0.40 0.42 0.98 0.00 0.00 173.24 174.97 2jqz s THR 50 N 0.31 5.13 0.97 2.02 -4.23 0.69 -4.92 115.64 115.61 2jqz s THR 50 Ca -0.00 0.14 -0.14 0.00 -1.18 0.00 0.00 61.69 60.51 2jqz s THR 50 Cb -0.04 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.17 2jqz s THR 50 CO 0.00 0.06 0.06 -0.90 -0.54 0.00 0.00 174.62 173.31 2jqz n ASP 51 N 0.17 -3.10 -4.87 3.99 5.75 -1.26 -2.86 116.55 114.37 2jqz n ASP 51 Ca -0.03 0.27 -0.33 0.00 -0.01 0.00 0.00 54.79 54.70 2jqz n ASP 51 Cb 0.52 -1.08 -0.05 0.00 -1.03 0.00 0.00 41.12 39.48 2jqz n ASP 51 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2jqz s THR 52 N -2.29 4.90 -0.32 2.12 2.01 -1.26 -4.33 115.64 116.47 2jqz s THR 52 Ca 0.52 0.57 -0.03 0.00 0.31 0.00 0.00 61.69 63.07 2jqz s THR 52 Cb -0.20 -3.64 0.05 0.00 0.01 0.00 0.00 72.50 68.73 2jqz s THR 52 CO 0.71 -0.01 0.04 -0.69 -0.69 0.00 0.00 174.62 173.99 2jqz s VAL 53 N -1.75 3.18 0.26 3.82 1.01 0.91 -4.98 120.40 122.85 2jqz s VAL 53 Ca 0.46 -1.40 -0.31 0.00 0.00 0.00 0.00 61.98 60.72 2jqz s VAL 53 Cb -0.12 -2.86 -0.12 0.00 0.00 0.00 0.00 36.38 33.28 2jqz s VAL 53 CO 0.20 -0.18 1.58 0.29 0.00 0.00 0.00 175.10 176.99 2jqz n LYS 54 N 4.66 2.53 -0.31 2.72 4.01 -1.26 -3.05 118.16 127.45 2jqz n LYS 54 Ca -0.12 0.90 0.00 0.00 -0.51 0.00 0.00 58.31 58.58 2jqz n LYS 54 Cb 0.43 -2.67 0.00 0.00 -0.51 0.00 0.00 35.03 32.29 2jqz n LYS 54 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 2jqz n ASN 55 N 2.57 0.00 -3.79 4.39 6.94 -1.19 -4.93 115.26 119.25 2jqz n ASN 55 Ca 0.11 0.00 -0.10 0.00 -0.02 0.00 0.00 54.58 54.58 2jqz n ASN 55 Cb 0.35 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.71 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 0.00 0.08 0.00 5.53 -1.32 -0.81 -4.93 115.64 114.18 2jqz s THR 56 Ca 0.00 -0.97 0.00 0.00 -1.21 0.00 0.00 61.69 59.51 2jqz s THR 56 Cb 0.00 -1.45 0.00 0.00 -1.51 0.00 0.00 72.50 69.54 2jqz s THR 56 CO 0.00 -0.37 0.84 0.18 -2.21 0.00 0.00 174.62 173.06 2jqz n LEU 57 N -0.20 1.60 -2.75 9.08 4.77 -1.26 -4.39 117.00 123.85 2jqz n LEU 57 Ca -0.13 -1.60 -0.04 0.00 -0.03 0.00 0.00 56.01 54.21 2jqz n LEU 57 Cb 0.63 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.73 2jqz n LEU 57 CO 0.20 0.40 0.15 -0.90 -1.33 0.00 0.00 177.39 175.92 2jqz n ASP 58 N -0.35 -3.28 -4.41 -1.43 5.75 -1.26 -1.85 116.55 109.72 2jqz n ASP 58 Ca 0.00 -2.82 -0.27 0.00 -0.01 0.00 0.00 54.79 51.69 2jqz n ASP 58 Cb 0.21 1.70 0.15 0.00 -1.03 0.00 0.00 41.12 42.15 2jqz n ASP 58 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2jqz s PRO 59 N 0.86 1.16 -0.09 0.11 0.04 -1.23 -4.90 135.00 130.95 2jqz s PRO 59 Ca 0.30 -0.71 -0.23 0.00 0.04 0.00 0.00 61.00 60.39 2jqz s PRO 59 Cb 0.03 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.55 2jqz s PRO 59 CO -0.07 -1.94 0.55 -1.59 0.04 0.00 0.00 177.00 173.99 2jqz s LYS 60 N -5.54 0.84 0.00 4.56 0.00 -1.26 -1.92 119.74 116.42 2jqz s LYS 60 Ca 0.70 0.31 0.00 0.00 0.00 0.00 0.00 55.97 56.98 2jqz s LYS 60 Cb -0.05 0.39 0.00 0.00 0.00 0.00 0.00 37.83 38.18 2jqz s LYS 60 CO 0.49 -0.21 0.00 0.91 0.00 0.00 0.00 175.35 176.53 2jqz n TRP 61 N 1.57 0.00 -2.32 1.78 8.01 -1.08 -5.00 117.44 120.41 2jqz n TRP 61 Ca -0.18 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 55.92 2jqz n TRP 61 Cb 0.56 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 -1.25 -3.10 -4.66 -0.99 0.23 0.18 -4.92 115.26 100.74 2jqz n ASN 62 Ca 0.00 0.27 -0.33 0.00 -0.53 0.00 0.00 54.58 53.98 2jqz n ASN 62 Cb 0.19 -2.71 -0.09 0.00 -2.08 0.00 0.00 39.78 35.09 2jqz n ASN 62 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 2jqz s GLN 63 N -4.77 2.82 0.05 -3.83 -0.21 -1.10 -4.89 119.66 107.73 2jqz s GLN 63 Ca 0.00 -0.56 0.07 0.00 0.02 0.00 0.00 55.36 54.90 2jqz s GLN 63 Cb 0.00 -2.68 -0.03 0.00 1.00 0.00 0.00 33.01 31.30 2jqz s GLN 63 CO 0.00 0.65 -0.21 -3.38 -2.12 0.00 0.00 175.29 170.23 2jqz s HIS 64 N -0.99 1.82 -0.03 0.91 -3.43 -1.26 0.03 115.29 112.33 2jqz s HIS 64 Ca 0.17 -0.38 0.06 0.00 -0.80 0.00 0.00 55.06 54.11 2jqz s HIS 64 Cb -0.11 -1.07 -0.01 0.00 -1.43 0.00 0.00 32.58 29.95 2jqz s HIS 64 CO 0.07 0.11 -0.23 0.71 -2.00 0.00 0.00 174.74 173.40 2jqz s TYR 65 N -0.85 2.11 -0.29 0.38 2.02 -1.03 -4.95 117.35 114.74 2jqz s TYR 65 Ca 0.07 -0.50 -0.11 0.00 -0.37 0.00 0.00 57.07 56.16 2jqz s TYR 65 Cb -0.09 -1.38 -0.04 0.00 -0.40 0.00 0.00 41.96 40.05 2jqz s TYR 65 CO 0.02 -0.11 0.19 -0.51 -1.57 0.00 0.00 175.55 173.57 2jqz s ASP 66 N -0.34 5.95 -0.00 2.29 1.01 -1.26 -2.36 116.67 121.96 2jqz s ASP 66 Ca 0.03 -0.11 0.04 0.00 0.71 0.00 0.00 52.55 53.23 2jqz s ASP 66 Cb -0.11 -2.11 -0.01 0.00 1.01 0.00 0.00 42.92 41.70 2jqz s ASP 66 CO 0.01 -0.08 -0.14 -0.76 0.21 0.00 0.00 175.17 174.41 2jqz s LEU 67 N 1.74 2.05 0.40 1.23 1.43 -0.59 -4.94 118.68 120.01 2jqz s LEU 67 Ca 0.07 -0.28 -0.22 0.00 -1.03 0.00 0.00 54.13 52.66 2jqz s LEU 67 Cb -0.16 -0.67 -0.10 0.00 0.03 0.00 0.00 46.19 45.28 2jqz s LEU 67 CO 0.10 0.14 0.96 -0.31 0.23 0.00 0.00 176.35 177.48 2jqz s TYR 68 N -0.42 3.38 -0.21 0.29 2.02 -1.26 -1.59 117.35 119.56 2jqz s TYR 68 Ca 0.04 1.66 0.01 0.00 -0.37 0.00 0.00 57.07 58.41 2jqz s TYR 68 Cb -0.06 -2.91 0.05 0.00 -0.40 0.00 0.00 41.96 38.64 2jqz s TYR 68 CO -0.00 -0.13 -0.11 0.42 -1.57 0.00 0.00 175.55 174.16 2jqz s ILE 69 N -1.98 1.81 0.00 2.71 -1.09 -0.16 -4.86 121.20 117.64 2jqz s ILE 69 Ca 0.59 -1.17 0.00 0.00 -2.23 0.00 0.00 60.65 57.84 2jqz s ILE 69 Cb -0.13 -1.88 0.00 0.00 -1.58 0.00 0.00 42.46 38.87 2jqz s ILE 69 CO 0.17 0.15 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 2jqz n GLY 70 N 4.61 -2.13 0.38 6.18 0.00 -1.26 -2.23 105.19 110.75 2jqz n GLY 70 Ca -0.15 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.52 -2.12 1.61 1.63 -2.00 -3.20 116.57 111.97 2jqz h LYS 71 Ca 0.00 0.04 -0.58 0.00 -0.85 0.00 0.00 60.65 59.25 2jqz h LYS 71 Cb 0.00 0.12 -0.42 0.00 -0.60 0.00 0.00 32.23 31.33 2jqz h LYS 71 CO 0.00 -0.34 -0.68 0.45 -3.45 0.00 0.00 179.45 175.43 2jqz n SER 72 N -4.87 4.41 -4.78 4.20 2.88 -1.26 -5.06 113.62 109.15 2jqz n SER 72 Ca -0.06 -3.67 -0.22 0.00 -1.33 0.00 0.00 58.87 53.59 2jqz n SER 72 Cb 0.32 -0.54 -0.05 0.00 -0.75 0.00 0.00 64.21 63.18 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 -3.46 5.20 0.18 -3.46 2.15 -1.21 -4.99 116.67 111.09 2jqz s ASP 73 Ca 0.48 -0.41 -0.04 0.00 0.43 0.00 0.00 52.55 53.02 2jqz s ASP 73 Cb 0.31 -1.18 -0.03 0.00 -0.30 0.00 0.00 42.92 41.72 2jqz s ASP 73 CO -0.15 -0.08 0.18 -0.94 -0.17 0.00 0.00 175.17 174.02 2jqz s SER 74 N -3.82 0.14 0.01 -0.34 1.04 -1.26 -3.36 113.70 106.11 2jqz s SER 74 Ca 0.34 -1.19 0.02 0.00 0.48 0.00 0.00 55.95 55.59 2jqz s SER 74 Cb -0.07 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 2jqz s SER 74 CO 0.24 -0.86 -0.07 -0.69 0.98 0.00 0.00 173.24 172.84 2jqz s VAL 75 N -4.08 0.52 -0.14 5.02 1.01 -0.84 -4.08 120.40 117.80 2jqz s VAL 75 Ca 0.29 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 2jqz s VAL 75 Cb 0.05 -0.48 0.04 0.00 0.00 0.00 0.00 36.38 35.99 2jqz s VAL 75 CO 0.07 -0.02 -0.05 -0.89 0.00 0.00 0.00 175.10 174.21 2jqz s THR 76 N -0.53 0.96 -0.34 3.92 2.01 -1.07 -1.79 115.64 118.80 2jqz s THR 76 Ca -0.01 -0.45 -0.16 0.00 0.31 0.00 0.00 61.69 61.38 2jqz s THR 76 Cb -0.05 -1.12 -0.01 0.00 0.01 0.00 0.00 72.50 71.34 2jqz s THR 76 CO 0.00 0.18 0.41 -0.63 -0.69 0.00 0.00 174.62 173.89 2jqz s ILE 77 N 1.71 5.12 -0.07 1.82 1.01 -0.05 -2.23 121.20 128.51 2jqz s ILE 77 Ca 0.02 0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.83 2jqz s ILE 77 Cb -0.14 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 2jqz s ILE 77 CO -0.08 -0.13 -0.11 -0.55 0.00 0.00 0.00 174.94 174.08 2jqz s SER 78 N 1.74 4.32 -0.17 3.58 0.15 -0.34 -0.29 113.70 122.69 2jqz s SER 78 Ca 0.14 -0.13 -0.08 0.00 0.70 0.00 0.00 55.95 56.59 2jqz s SER 78 Cb -0.16 -1.06 -0.04 0.00 -1.71 0.00 0.00 66.02 63.04 2jqz s SER 78 CO 0.12 0.34 0.08 -0.69 1.20 0.00 0.00 173.24 174.28 2jqz s VAL 79 N -0.66 4.94 0.16 4.45 1.01 0.55 -0.29 120.40 130.55 2jqz s VAL 79 Ca 0.10 0.02 0.11 0.00 0.00 0.00 0.00 61.98 62.20 2jqz s VAL 79 Cb -0.11 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 2jqz s VAL 79 CO 0.01 0.48 -0.25 0.26 0.00 0.00 0.00 175.10 175.61 2jqz s TRP 80 N 0.16 2.24 -0.63 5.22 0.52 -0.56 -2.22 118.94 123.68 2jqz s TRP 80 Ca 0.06 -0.38 -0.20 0.00 0.02 0.00 0.00 56.10 55.60 2jqz s TRP 80 Cb -0.12 -1.16 0.10 0.00 -1.15 0.00 0.00 33.47 31.14 2jqz s TRP 80 CO 0.00 0.40 0.79 1.21 0.02 0.00 0.00 176.95 179.37 2jqz s ASN 81 N -2.37 6.21 0.32 2.95 3.04 0.33 -1.69 114.94 123.72 2jqz s ASN 81 Ca 0.17 -1.37 0.07 0.00 0.04 0.00 0.00 52.86 51.77 2jqz s ASN 81 Cb -0.09 -2.33 0.89 0.00 -1.54 0.00 0.00 41.25 38.18 2jqz s ASN 81 CO 0.08 -1.19 1.61 -0.74 -3.04 0.00 0.00 177.10 173.81 2jqz h HIS 82 N 9.25 0.37 0.02 0.43 -0.00 -1.36 0.20 115.15 124.06 2jqz h HIS 82 Ca -0.27 0.05 0.03 0.00 -0.00 0.00 0.00 60.37 60.18 2jqz h HIS 82 Cb 1.08 -0.01 -0.05 0.00 -0.00 0.00 0.00 27.41 28.44 2jqz h HIS 82 CO 0.89 -0.34 -0.33 0.87 -0.00 0.00 0.00 177.93 179.01 2jqz h LYS 83 N 0.11 -0.48 0.00 5.26 1.79 -1.92 -2.64 116.57 118.68 2jqz h LYS 83 Ca 0.65 0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 59.12 2jqz h LYS 83 Cb 1.44 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 32.19 2jqz h LYS 83 CO -0.76 -0.32 -0.22 0.87 -1.08 0.00 0.00 179.45 177.93 2jqz h LYS 84 N -0.50 0.00 -0.10 3.15 1.79 -1.28 -2.49 116.57 117.14 2jqz h LYS 84 Ca 0.05 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.55 2jqz h LYS 84 Cb 0.58 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2jqz h LYS 84 CO -0.26 0.13 0.11 -0.84 -1.08 0.00 0.00 179.45 177.51 2jqz h ILE 85 N 0.00 0.53 0.00 1.86 3.07 -0.35 0.60 117.51 123.22 2jqz h ILE 85 Ca -0.00 0.00 -0.09 0.00 1.55 0.00 0.00 64.86 66.31 2jqz h ILE 85 Cb 1.11 0.91 -0.02 0.00 -0.27 0.00 0.00 36.82 38.55 2jqz h ILE 85 CO 0.02 0.00 -1.39 1.41 -1.05 0.00 0.00 178.15 177.14 2jqz n HIS 86 N -3.87 0.81 -0.18 0.16 8.25 -1.09 -4.05 115.22 115.24 2jqz n HIS 86 Ca -0.00 0.25 -0.10 0.00 -0.26 0.00 0.00 57.72 57.61 2jqz n HIS 86 Cb 0.21 -0.96 -0.08 0.00 1.12 0.00 0.00 29.99 30.28 2jqz n HIS 86 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2jqz h LYS 87 N 0.00 -0.20 -0.22 -0.41 1.63 0.68 -3.41 116.57 114.64 2jqz h LYS 87 Ca -0.10 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.66 2jqz h LYS 87 Cb 1.33 0.05 -0.15 0.00 -0.60 0.00 0.00 32.23 32.86 2jqz h LYS 87 CO 0.02 -0.13 -0.18 1.63 -3.45 0.00 0.00 179.45 177.34 2jqz n LYS 88 N -4.74 0.23 0.00 1.90 4.76 -1.18 -5.04 118.16 114.09 2jqz n LYS 88 Ca -0.01 -1.01 0.00 0.00 -2.87 0.00 0.00 58.31 54.42 2jqz n LYS 88 Cb 0.24 -0.33 0.00 0.00 -1.84 0.00 0.00 35.03 33.10 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 2.23 0.00 -0.27 1.97 -0.06 -1.26 -2.88 117.38 117.11 2jqz n GLN 89 Ca 0.09 0.00 0.04 0.00 -2.00 0.00 0.00 57.00 55.13 2jqz n GLN 89 Cb 0.65 0.00 0.13 0.00 -4.06 0.00 0.00 30.24 26.96 2jqz n GLN 89 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 2jqz h GLY 90 N 0.00 0.71 -3.52 1.69 0.00 -1.90 -3.41 103.07 96.63 2jqz h GLY 90 Ca 0.00 0.20 -0.56 0.00 0.00 0.00 0.00 47.33 46.97 2jqz h GLY 90 CO 0.00 -0.31 0.50 0.00 0.00 0.00 0.00 176.54 176.73 2jqz n ALA 91 N -3.17 1.34 0.00 3.60 0.00 -1.14 -4.47 120.51 116.67 2jqz n ALA 91 Ca 0.13 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2jqz n ALA 91 Cb 0.45 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.62 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 0.81 1.10 3.66 0.00 0.00 -1.21 -2.79 105.19 106.76 2jqz n GLY 92 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.10 2.90 0.00 1.61 5.36 -1.26 -0.51 117.98 124.98 2jqz s PHE 93 Ca 0.00 -0.08 0.00 0.00 -0.96 0.00 0.00 56.93 55.89 2jqz s PHE 93 Cb 0.00 -1.47 0.00 0.00 -0.34 0.00 0.00 43.02 41.21 2jqz s PHE 93 CO 0.00 0.48 0.00 1.28 -1.46 0.00 0.00 175.22 175.52 2jqz n LEU 94 N 0.36 0.00 -3.67 6.12 4.77 -0.94 -4.39 117.00 119.25 2jqz n LEU 94 Ca -0.11 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.74 2jqz n LEU 94 Cb 0.53 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.49 2jqz n LEU 94 CO 0.38 -0.03 -0.14 -0.83 -1.33 0.00 0.00 177.39 175.44 2jqz s GLY 95 N -2.09 -0.10 -0.25 -0.72 0.00 -1.00 -4.48 107.32 98.68 2jqz s GLY 95 Ca 0.00 0.91 -0.10 0.00 0.00 0.00 0.00 44.72 45.54 2jqz s GLY 95 CO 0.00 1.91 0.14 0.00 0.00 0.00 0.00 173.10 175.15 2jqz s VAL 97 N 1.33 4.68 -0.06 0.00 0.11 0.61 -4.59 120.40 122.48 2jqz s VAL 97 Ca 0.06 -0.08 0.03 0.00 -2.93 0.00 0.00 61.98 59.07 2jqz s VAL 97 Cb -0.15 -3.08 0.01 0.00 -1.53 0.00 0.00 36.38 31.63 2jqz s VAL 97 CO 0.06 0.49 -0.16 -0.60 -3.33 0.00 0.00 175.10 171.57 2jqz s ARG 98 N 0.10 1.92 -0.07 1.54 3.52 -1.26 -0.87 118.95 123.83 2jqz s ARG 98 Ca 0.04 -0.55 0.04 0.00 -0.13 0.00 0.00 55.73 55.14 2jqz s ARG 98 Cb -0.12 -1.58 -0.00 0.00 -1.56 0.00 0.00 34.95 31.69 2jqz s ARG 98 CO 0.01 0.12 -0.20 -0.51 -0.81 0.00 0.00 175.30 173.91 2jqz s LEU 99 N 0.41 1.95 0.00 -0.88 2.01 -0.74 -5.02 118.68 116.39 2jqz s LEU 99 Ca -0.12 -0.44 -0.03 0.00 0.01 0.00 0.00 54.13 53.55 2jqz s LEU 99 Cb -0.15 -1.15 0.12 0.00 0.01 0.00 0.00 46.19 45.02 2jqz s LEU 99 CO 0.04 0.15 0.81 0.18 1.01 0.00 0.00 176.35 178.54 2jqz n LEU 100 N 3.34 0.00 -0.06 1.79 4.77 -1.26 -1.99 117.00 123.59 2jqz n LEU 100 Ca -0.19 -1.45 -0.10 0.00 -0.03 0.00 0.00 56.01 54.24 2jqz n LEU 100 Cb 0.53 -0.55 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 2jqz n LEU 100 CO 0.26 -0.95 0.89 -1.28 -1.33 0.00 0.00 177.39 174.98 2jqz h SER 101 N -0.67 0.28 -0.53 -1.43 0.87 -1.93 0.28 113.55 110.41 2jqz h SER 101 Ca -0.27 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.11 2jqz h SER 101 Cb 0.90 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 2jqz h SER 101 CO 0.26 0.32 0.09 -0.55 -0.53 0.00 0.00 176.83 176.41 2jqz h ASN 102 N 0.22 0.88 -0.54 6.23 -1.07 -1.95 -2.51 115.58 116.85 2jqz h ASN 102 Ca 0.07 -0.19 -0.09 0.00 0.07 0.00 0.00 56.30 56.16 2jqz h ASN 102 Cb 0.11 -0.23 -0.02 0.00 -2.07 0.00 0.00 38.32 36.11 2jqz h ASN 102 CO -0.01 0.89 -0.03 0.00 0.07 0.00 0.00 177.43 178.36 2jqz h ALA 103 N 1.21 0.73 -0.75 4.14 0.00 -1.85 -2.83 119.26 119.91 2jqz h ALA 103 Ca 0.18 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2jqz h ALA 103 Cb 0.40 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2jqz h ALA 103 CO 0.01 0.58 0.50 0.82 0.00 0.00 0.00 179.25 181.15 2jqz h ILE 104 N 0.85 1.16 0.36 0.00 5.03 -0.03 0.24 117.51 125.11 2jqz h ILE 104 Ca 0.15 -0.33 -0.02 0.00 -0.12 0.00 0.00 64.86 64.54 2jqz h ILE 104 Cb 0.57 0.10 0.00 0.00 -3.03 0.00 0.00 36.82 34.47 2jqz h ILE 104 CO 0.03 0.18 -0.17 0.78 -0.68 0.00 0.00 178.15 178.29 2jqz h ASN 105 N 0.97 -0.41 -0.48 1.72 2.35 -1.31 0.29 115.58 118.71 2jqz h ASN 105 Ca 0.29 -0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.90 2jqz h ASN 105 Cb -0.05 0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 2jqz h ASN 105 CO -0.07 0.01 0.31 0.03 -1.65 0.00 0.00 177.43 176.07 2jqz h ARG 106 N -0.93 0.62 -0.29 0.81 3.08 -1.35 -2.80 114.38 113.51 2jqz h ARG 106 Ca -0.05 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 2jqz h ARG 106 Cb 0.53 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2jqz h ARG 106 CO 0.08 0.41 -0.19 -0.07 -1.07 0.00 0.00 179.97 179.13 2jqz h LEU 107 N 0.64 0.67 -2.00 3.04 3.38 -0.60 -2.42 115.31 118.01 2jqz h LEU 107 Ca 0.18 -0.43 0.24 0.00 0.09 0.00 0.00 57.88 57.96 2jqz h LEU 107 Cb -0.05 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2jqz h LEU 107 CO -0.05 0.96 0.61 0.07 0.09 0.00 0.00 178.44 180.12 2jqz h LYS 108 N 0.38 0.00 0.00 1.13 2.10 -0.16 0.19 116.57 120.21 2jqz h LYS 108 Ca 0.06 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.53 2jqz h LYS 108 Cb 0.73 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.03 2jqz h LYS 108 CO 0.05 0.00 -1.64 -0.40 -2.00 0.00 0.00 179.45 175.46 2jqz n ASP 109 N -4.27 0.62 0.22 7.07 5.68 -1.14 -2.95 116.55 121.78 2jqz n ASP 109 Ca 0.17 0.27 -0.11 0.00 -0.50 0.00 0.00 54.79 54.62 2jqz n ASP 109 Cb 0.91 0.52 -0.06 0.00 -1.14 0.00 0.00 41.12 41.35 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 -0.12 -3.48 112.91 112.78 2jqz h THR 110 Ca -0.21 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 2jqz h THR 110 Cb 1.62 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 2jqz h THR 110 CO 0.04 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 2jqz n GLY 111 N -1.35 1.02 3.17 5.82 0.00 -0.95 -4.96 105.19 107.94 2jqz n GLY 111 Ca -0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.25 -0.07 1.61 2.02 -1.26 -4.21 117.35 113.20 2jqz s TYR 112 Ca 0.00 0.30 0.00 0.00 -0.37 0.00 0.00 57.07 57.00 2jqz s TYR 112 Cb 0.00 0.10 0.02 0.00 -0.40 0.00 0.00 41.96 41.68 2jqz s TYR 112 CO 0.00 -0.13 -0.05 -0.65 -1.57 0.00 0.00 175.55 173.14 2jqz s GLN 113 N 2.77 1.10 -0.56 -0.62 -1.52 0.47 -4.89 119.66 116.41 2jqz s GLN 113 Ca -0.05 -0.14 -0.16 0.00 -1.95 0.00 0.00 55.36 53.06 2jqz s GLN 113 Cb -0.07 -1.16 0.13 0.00 -0.22 0.00 0.00 33.01 31.70 2jqz s GLN 113 CO -0.10 -0.16 0.51 1.03 -0.25 0.00 0.00 175.29 176.31 2jqz s ARG 114 N 1.33 3.01 -0.26 2.91 0.52 -1.26 -1.00 118.95 124.21 2jqz s ARG 114 Ca -0.04 -1.76 -0.10 0.00 -0.52 0.00 0.00 55.73 53.32 2jqz s ARG 114 Cb -0.14 -4.30 -0.04 0.00 0.52 0.00 0.00 34.95 30.99 2jqz s ARG 114 CO -0.03 -1.32 0.15 -0.51 0.02 0.00 0.00 175.30 173.60 2jqz s LEU 115 N 1.51 3.90 0.41 2.53 2.01 0.13 -4.89 118.68 124.28 2jqz s LEU 115 Ca 0.04 -0.02 -0.26 0.00 0.01 0.00 0.00 54.13 53.90 2jqz s LEU 115 Cb -0.29 -2.06 -0.10 0.00 0.01 0.00 0.00 46.19 43.75 2jqz s LEU 115 CO 0.02 -0.00 1.40 -0.67 1.01 0.00 0.00 176.35 178.12 2jqz n ASP 116 N 4.72 3.27 -4.39 2.29 -0.08 -1.26 -1.25 116.55 119.85 2jqz n ASP 116 Ca -0.15 1.16 -0.45 0.00 -1.51 0.00 0.00 54.79 53.84 2jqz n ASP 116 Cb 0.52 -1.58 -0.05 0.00 2.34 0.00 0.00 41.12 42.35 2jqz n ASP 116 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2jqz s LEU 117 N -2.13 5.41 0.33 -2.67 1.43 0.16 -4.78 118.68 116.44 2jqz s LEU 117 Ca 0.58 -1.32 0.05 0.00 -1.03 0.00 0.00 54.13 52.41 2jqz s LEU 117 Cb -0.48 -2.32 -0.07 0.00 0.03 0.00 0.00 46.19 43.36 2jqz s LEU 117 CO 0.60 -0.96 0.03 0.00 0.23 0.00 0.00 176.35 176.25 2jqz n LYS 119 N -0.72 0.23 -0.15 0.00 -0.00 -1.26 -3.77 118.16 112.49 2jqz n LYS 119 Ca -0.03 0.15 0.24 0.00 -0.00 0.00 0.00 58.31 58.66 2jqz n LYS 119 Cb 0.66 -2.34 0.65 0.00 -0.00 0.00 0.00 35.03 34.01 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 -0.78 0.12 0.00 -5.58 -0.00 -1.94 -3.46 115.31 103.66 2jqz h LEU 120 Ca -0.46 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.43 2jqz h LEU 120 Cb 1.31 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.96 2jqz h LEU 120 CO 0.45 0.05 0.00 0.61 -0.00 0.00 0.00 178.44 179.55 2jqz n GLY 121 N -1.64 -1.74 0.12 0.83 0.00 -1.26 -4.99 105.19 96.51 2jqz n GLY 121 Ca 0.17 -1.11 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 2jqz n GLY 121 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jqz h PRO 122 N 0.00 0.37 0.00 1.61 0.13 -1.92 -3.26 132.00 128.92 2jqz h PRO 122 Ca 0.00 -0.62 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2jqz h PRO 122 Cb 0.00 0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.36 2jqz h PRO 122 CO 0.00 1.29 0.00 -0.91 -0.23 0.00 0.00 178.00 178.15 2jqz h ASN 123 N 0.10 0.00 -3.80 1.44 2.35 -2.01 -3.44 115.58 110.22 2jqz h ASN 123 Ca -0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2jqz h ASN 123 Cb 2.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.40 2jqz h ASN 123 CO 0.23 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.48 2jqz n ASP 124 N -3.03 0.13 -4.57 5.81 9.92 -1.23 -5.00 116.55 118.57 2jqz n ASP 124 Ca 0.01 -0.93 -0.46 0.00 -0.53 0.00 0.00 54.79 52.88 2jqz n ASP 124 Cb 0.33 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.77 2jqz n ASP 124 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2jqz n ASN 125 N -2.67 3.06 -4.10 -2.24 4.13 -1.26 -4.82 115.26 107.35 2jqz n ASN 125 Ca 0.00 0.43 -0.41 0.00 1.68 0.00 0.00 54.58 56.28 2jqz n ASN 125 Cb 0.00 -1.45 -0.01 0.00 -1.54 0.00 0.00 39.78 36.78 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 10.10 5.48 -3.52 6.41 5.75 -1.26 -4.42 116.55 135.09 2jqz n ASP 126 Ca 0.31 -3.23 -0.27 0.00 -0.01 0.00 0.00 54.79 51.60 2jqz n ASP 126 Cb 0.36 -1.22 -0.10 0.00 -1.03 0.00 0.00 41.12 39.13 2jqz n ASP 126 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2jqz n THR 127 N 1.96 0.27 -4.20 2.12 -2.24 -1.26 -5.08 114.28 105.85 2jqz n THR 127 Ca 0.25 -4.23 -0.13 0.00 -2.27 0.00 0.00 64.05 57.67 2jqz n THR 127 Cb 0.37 -1.93 -0.09 0.00 -2.10 0.00 0.00 70.33 66.57 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 -0.99 0.00 0.00 2.28 0.11 -1.26 -4.85 120.40 115.70 2jqz s VAL 128 Ca 0.32 -1.95 0.00 0.00 -2.93 0.00 0.00 61.98 57.42 2jqz s VAL 128 Cb 0.05 -2.48 0.00 0.00 -1.53 0.00 0.00 36.38 32.42 2jqz s VAL 128 CO -0.15 0.00 0.00 -2.11 -3.33 0.00 0.00 175.10 169.51 2jqz n ARG 129 N -0.35 0.00 -3.39 1.54 0.00 -1.26 -4.96 116.66 108.25 2jqz n ARG 129 Ca 0.03 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.66 2jqz n ARG 129 Cb 0.65 0.00 0.01 0.00 -0.00 0.00 0.00 32.46 33.11 2jqz n ARG 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jqz n GLY 130 N 0.00 2.72 3.38 2.89 0.00 -0.86 -4.77 105.19 108.55 2jqz n GLY 130 Ca 0.00 -2.27 -0.15 0.00 0.00 0.00 0.00 46.02 43.60 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 -3.92 1.66 -0.24 1.61 1.11 0.73 0.40 119.66 121.01 2jqz s GLN 131 Ca 0.28 -1.74 -0.19 0.00 0.01 0.00 0.00 55.36 53.72 2jqz s GLN 131 Cb -0.02 0.38 0.06 0.00 -1.01 0.00 0.00 33.01 32.42 2jqz s GLN 131 CO 0.18 -0.64 0.62 -1.50 0.01 0.00 0.00 175.29 173.95 2jqz s ILE 132 N -3.53 -0.00 -0.23 1.08 2.07 -0.38 -0.84 121.20 119.37 2jqz s ILE 132 Ca 0.34 0.01 -0.07 0.00 -1.41 0.00 0.00 60.65 59.52 2jqz s ILE 132 Cb 0.02 -0.87 -0.03 0.00 0.13 0.00 0.00 42.46 41.71 2jqz s ILE 132 CO 0.19 0.00 0.05 -0.69 -1.91 0.00 0.00 174.94 172.58 2jqz s VAL 133 N 0.71 4.28 0.33 4.00 1.01 0.51 -0.70 120.40 130.54 2jqz s VAL 133 Ca -0.03 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.78 2jqz s VAL 133 Cb -0.05 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 2jqz s VAL 133 CO -0.05 0.38 0.09 1.33 0.00 0.00 0.00 175.10 176.85 2jqz n VAL 134 N 4.56 0.00 -3.72 2.92 0.24 -0.17 -1.93 118.33 120.23 2jqz n VAL 134 Ca -0.16 -1.82 -0.15 0.00 -2.04 0.00 0.00 64.34 60.17 2jqz n VAL 134 Cb 0.52 0.59 -0.15 0.00 -1.47 0.00 0.00 33.84 33.33 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 -2.96 0.18 -0.34 -1.34 1.04 -0.19 -0.39 113.70 109.70 2jqz s SER 135 Ca 0.13 0.33 -0.10 0.00 0.48 0.00 0.00 55.95 56.79 2jqz s SER 135 Cb 0.01 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.38 2jqz s SER 135 CO 0.09 -0.18 0.17 -0.76 0.98 0.00 0.00 173.24 173.54 2jqz s LEU 136 N 1.59 4.36 -0.06 2.42 2.01 -1.26 -1.00 118.68 126.75 2jqz s LEU 136 Ca -0.05 -0.74 -0.04 0.00 0.01 0.00 0.00 54.13 53.31 2jqz s LEU 136 Cb -0.12 -2.00 0.02 0.00 0.01 0.00 0.00 46.19 44.10 2jqz s LEU 136 CO -0.06 -0.28 0.14 -1.58 1.01 0.00 0.00 176.35 175.58 2jqz s GLN 137 N 1.58 0.13 0.20 1.70 0.74 -0.90 -2.24 119.66 120.87 2jqz s GLN 137 Ca 0.03 0.26 -0.30 0.00 0.05 0.00 0.00 55.36 55.41 2jqz s GLN 137 Cb -0.18 -0.02 -0.08 0.00 1.10 0.00 0.00 33.01 33.83 2jqz s GLN 137 CO 0.06 -0.08 1.15 -1.54 -0.55 0.00 0.00 175.29 174.33 2jqz s SER 138 N 0.50 7.18 -0.01 6.67 1.04 -1.21 -2.09 113.70 125.78 2jqz s SER 138 Ca -0.04 2.20 -0.19 0.00 0.48 0.00 0.00 55.95 58.41 2jqz s SER 138 Cb -0.05 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.40 2jqz s SER 138 CO -0.02 -0.28 0.53 -0.13 0.98 0.00 0.00 173.24 174.32 2jqz s ARG 139 N -0.53 4.22 0.00 4.02 1.81 -0.60 -4.88 118.95 122.99 2jqz s ARG 139 Ca 0.50 0.62 0.22 0.00 -1.72 0.00 0.00 55.73 55.35 2jqz s ARG 139 Cb -0.31 -3.31 1.32 0.00 -0.45 0.00 0.00 34.95 32.20 2jqz s ARG 139 CO 0.37 0.45 1.70 -3.47 -0.68 0.00 0.00 175.30 173.68