#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 1.37 -0.12 1.61 0.02 -1.26 -4.98 135.00 131.64 2jqz s PRO 11 Ca 0.00 1.16 -0.06 0.00 0.02 0.00 0.00 61.00 62.12 2jqz s PRO 11 Cb 0.00 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.68 2jqz s PRO 11 CO 0.00 -2.26 0.11 0.14 -0.33 0.00 0.00 177.00 174.66 2jqz s VAL 12 N -2.80 5.23 -0.69 3.83 -7.23 -0.66 -4.76 120.40 113.32 2jqz s VAL 12 Ca 0.64 0.11 -0.25 0.00 -1.81 0.00 0.00 61.98 60.67 2jqz s VAL 12 Cb -0.20 -3.28 0.05 0.00 0.56 0.00 0.00 36.38 33.52 2jqz s VAL 12 CO 0.58 0.60 1.11 -0.75 -0.31 0.00 0.00 175.10 176.33 2jqz s LYS 13 N -0.85 3.16 -0.14 4.82 2.20 -1.26 -0.39 119.74 127.27 2jqz s LYS 13 Ca 0.14 -0.53 -0.05 0.00 -0.36 0.00 0.00 55.97 55.16 2jqz s LYS 13 Cb -0.12 -4.20 -0.04 0.00 -1.51 0.00 0.00 37.83 31.97 2jqz s LYS 13 CO 0.03 -1.96 0.05 -1.17 -0.36 0.00 0.00 175.35 171.94 2jqz s LEU 14 N 4.85 3.79 -0.20 5.43 1.98 -0.54 -0.69 118.68 133.30 2jqz s LEU 14 Ca 0.29 0.14 -0.02 0.00 -2.89 0.00 0.00 54.13 51.65 2jqz s LEU 14 Cb -0.13 -1.92 0.00 0.00 0.66 0.00 0.00 46.19 44.80 2jqz s LEU 14 CO 0.13 0.27 -0.11 -0.60 -1.89 0.00 0.00 176.35 174.15 2jqz s ARG 15 N -0.21 3.21 -0.33 1.98 3.52 -0.94 -0.81 118.95 125.36 2jqz s ARG 15 Ca 0.07 -0.71 -0.11 0.00 -0.13 0.00 0.00 55.73 54.85 2jqz s ARG 15 Cb -0.12 -2.83 -0.00 0.00 -1.56 0.00 0.00 34.95 30.44 2jqz s ARG 15 CO 0.02 -0.20 0.19 -1.17 -0.81 0.00 0.00 175.30 173.32 2jqz s LEU 16 N 1.40 4.35 -0.43 -0.88 0.20 -1.00 -2.55 118.68 119.77 2jqz s LEU 16 Ca 0.05 -0.61 -0.18 0.00 0.69 0.00 0.00 54.13 54.08 2jqz s LEU 16 Cb -0.14 -2.04 0.02 0.00 -0.43 0.00 0.00 46.19 43.61 2jqz s LEU 16 CO -0.07 -0.25 0.51 -0.89 -0.29 0.00 0.00 176.35 175.35 2jqz s THR 17 N 1.63 5.00 -0.96 3.68 2.01 -0.32 -2.44 115.64 124.24 2jqz s THR 17 Ca 0.04 -0.19 -0.22 0.00 0.31 0.00 0.00 61.69 61.63 2jqz s THR 17 Cb -0.18 -4.10 0.07 0.00 0.01 0.00 0.00 72.50 68.31 2jqz s THR 17 CO 0.07 -0.48 1.34 -0.69 -0.69 0.00 0.00 174.62 174.17 2jqz s VAL 18 N 2.37 4.11 -0.03 3.82 1.01 0.78 -1.15 120.40 131.31 2jqz s VAL 18 Ca 0.16 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 2jqz s VAL 18 Cb -0.16 -4.96 -0.10 0.00 0.00 0.00 0.00 36.38 31.16 2jqz s VAL 18 CO 0.15 -1.81 0.70 0.25 0.00 0.00 0.00 175.10 174.39 2jqz h LEU 19 N 12.20 -0.47 -7.90 3.92 5.85 -1.69 -0.23 115.31 127.00 2jqz h LEU 19 Ca 0.12 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.92 2jqz h LEU 19 Cb 1.02 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 2jqz h LEU 19 CO 1.33 -0.03 0.34 0.00 -0.34 0.00 0.00 178.44 179.74 2jqz s ALA 21 N -3.27 1.44 0.28 0.00 0.00 -1.07 -0.13 121.76 119.01 2jqz s ALA 21 Ca 0.13 -1.14 0.11 0.00 0.00 0.00 0.00 51.96 51.06 2jqz s ALA 21 Cb -0.04 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 2jqz s ALA 21 CO 0.06 0.22 -0.10 0.15 0.00 0.00 0.00 175.76 176.09 2jqz s LYS 22 N -1.97 1.96 -0.70 0.00 -0.14 0.17 -3.24 119.74 115.81 2jqz s LYS 22 Ca 0.03 -1.63 -0.12 0.00 -1.36 0.00 0.00 55.97 52.88 2jqz s LYS 22 Cb -0.09 -1.94 0.02 0.00 -1.68 0.00 0.00 37.83 34.14 2jqz s LYS 22 CO 0.03 0.32 0.63 -1.71 -0.76 0.00 0.00 175.35 173.86 2jqz n ASN 23 N -0.76 -5.29 -4.62 2.83 4.05 -1.04 -0.34 115.26 110.08 2jqz n ASN 23 Ca -0.05 -0.64 -0.43 0.00 0.45 0.00 0.00 54.58 53.91 2jqz n ASN 23 Cb 0.60 -1.97 -0.02 0.00 1.23 0.00 0.00 39.78 39.62 2jqz n ASN 23 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 2jqz s LEU 24 N -4.10 3.81 -0.22 1.20 1.98 -0.43 -3.11 118.68 117.81 2jqz s LEU 24 Ca 0.12 0.95 -0.32 0.00 -2.89 0.00 0.00 54.13 52.00 2jqz s LEU 24 Cb -0.01 -3.54 -0.08 0.00 0.66 0.00 0.00 46.19 43.21 2jqz s LEU 24 CO 0.88 -1.09 2.14 0.55 -1.89 0.00 0.00 176.35 176.94 2jqz n VAL 25 N 6.33 0.36 0.18 1.68 3.14 -0.97 -4.68 118.33 124.36 2jqz n VAL 25 Ca 0.13 -0.32 0.02 0.00 -2.96 0.00 0.00 64.34 61.22 2jqz n VAL 25 Cb 0.47 -2.13 0.10 0.00 -1.06 0.00 0.00 33.84 31.22 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 8.14 0.03 0.00 1.45 2.85 -1.26 -4.55 118.16 124.82 2jqz n LYS 26 Ca 0.32 0.33 0.00 0.00 -1.05 0.00 0.00 58.31 57.91 2jqz n LYS 26 Cb 0.35 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.23 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 -1.39 0.00 -3.94 -1.58 4.76 -1.26 -4.17 118.16 110.58 2jqz n LYS 27 Ca 0.02 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.11 2jqz n LYS 27 Cb 0.04 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.18 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 -3.43 6.25 0.00 4.39 1.11 -1.26 -5.05 116.67 118.68 2jqz s ASP 28 Ca 0.00 0.34 0.00 0.00 0.18 0.00 0.00 52.55 53.07 2jqz s ASP 28 Cb 0.00 -1.95 0.00 0.00 1.07 0.00 0.00 42.92 42.04 2jqz s ASP 28 CO 0.00 0.30 0.78 0.33 1.18 0.00 0.00 175.17 177.77 2jqz n PHE 29 N 1.24 0.00 0.88 4.23 7.35 -1.26 -1.97 117.46 127.92 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 0.53 -0.28 0.00 0.00 0.35 0.00 0.00 39.48 40.08 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 -1.68 0.00 -4.50 -5.13 7.35 -1.26 -4.74 117.46 107.49 2jqz n PHE 30 Ca 0.00 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.45 2jqz n PHE 30 Cb 0.00 -0.03 -0.11 0.00 0.35 0.00 0.00 39.48 39.70 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 -1.52 1.74 0.05 -4.13 0.52 -0.83 -5.16 118.95 109.61 2jqz s ARG 31 Ca 0.00 -1.95 0.03 0.00 -0.52 0.00 0.00 55.73 53.29 2jqz s ARG 31 Cb 0.00 -1.22 -0.02 0.00 0.52 0.00 0.00 34.95 34.23 2jqz s ARG 31 CO 0.00 -0.08 -0.10 -0.51 0.02 0.00 0.00 175.30 174.63 2jqz s LEU 32 N -3.56 2.25 0.34 2.53 2.01 -1.26 -4.54 118.68 116.46 2jqz s LEU 32 Ca 0.34 -0.54 0.01 0.00 0.01 0.00 0.00 54.13 53.95 2jqz s LEU 32 Cb 0.08 -0.30 -0.03 0.00 0.01 0.00 0.00 46.19 45.95 2jqz s LEU 32 CO 0.16 -0.14 0.54 -2.16 1.01 0.00 0.00 176.35 175.76 2jqz s PRO 33 N -1.53 3.48 -0.62 1.29 0.04 -1.26 -4.79 135.00 131.60 2jqz s PRO 33 Ca -0.06 -0.36 0.05 0.00 0.04 0.00 0.00 61.00 60.66 2jqz s PRO 33 Cb -0.09 -2.67 0.16 0.00 0.04 0.00 0.00 34.50 31.93 2jqz s PRO 33 CO 0.01 0.16 0.42 -0.51 0.04 0.00 0.00 177.00 177.12 2jqz s ASP 34 N -4.04 4.29 0.38 6.66 1.11 -1.26 -2.74 116.67 121.07 2jqz s ASP 34 Ca 0.40 -3.55 -0.27 0.00 0.18 0.00 0.00 52.55 49.30 2jqz s ASP 34 Cb -0.10 -1.46 -0.10 0.00 1.07 0.00 0.00 42.92 42.34 2jqz s ASP 34 CO 0.36 -0.13 1.35 -2.16 1.18 0.00 0.00 175.17 175.77 2jqz s PRO 35 N -0.98 4.10 0.27 8.23 0.04 -1.25 -1.05 135.00 144.36 2jqz s PRO 35 Ca 0.24 2.29 -0.11 0.00 0.04 0.00 0.00 61.00 63.46 2jqz s PRO 35 Cb -0.08 -2.90 -0.00 0.00 0.04 0.00 0.00 34.50 31.56 2jqz s PRO 35 CO -0.13 -0.43 0.49 -0.59 0.04 0.00 0.00 177.00 176.37 2jqz s PHE 36 N -1.19 0.49 0.15 0.56 -0.71 -0.91 -0.49 117.98 115.88 2jqz s PHE 36 Ca 0.54 -0.84 0.07 0.00 -1.04 0.00 0.00 56.93 55.65 2jqz s PHE 36 Cb -0.41 0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.52 2jqz s PHE 36 CO 0.54 -1.04 -0.15 0.00 -1.34 0.00 0.00 175.22 173.23 2jqz s ALA 37 N -3.76 1.76 -0.05 1.99 0.00 -1.14 -2.09 121.76 118.46 2jqz s ALA 37 Ca 0.24 -1.44 -0.02 0.00 0.00 0.00 0.00 51.96 50.74 2jqz s ALA 37 Cb -0.01 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.04 2jqz s ALA 37 CO 0.11 0.13 0.04 0.15 0.00 0.00 0.00 175.76 176.19 2jqz s LYS 38 N -2.96 0.15 0.03 0.00 1.02 0.37 -0.16 119.74 118.19 2jqz s LYS 38 Ca 0.14 0.29 -0.20 0.00 0.02 0.00 0.00 55.97 56.22 2jqz s LYS 38 Cb -0.04 -0.67 -0.06 0.00 -0.52 0.00 0.00 37.83 36.54 2jqz s LYS 38 CO 0.05 -0.32 0.58 0.08 -0.92 0.00 0.00 175.35 174.82 2jqz s VAL 39 N 2.10 4.83 -0.01 3.17 1.01 0.99 -1.23 120.40 131.26 2jqz s VAL 39 Ca 0.05 1.23 0.01 0.00 0.00 0.00 0.00 61.98 63.27 2jqz s VAL 39 Cb -0.12 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2jqz s VAL 39 CO -0.04 0.49 -0.04 0.68 0.00 0.00 0.00 175.10 176.19 2jqz s VAL 40 N -0.65 0.32 -0.36 2.92 -7.23 -0.98 -1.83 120.40 112.59 2jqz s VAL 40 Ca 0.30 -0.14 -0.09 0.00 -1.81 0.00 0.00 61.98 60.24 2jqz s VAL 40 Cb -0.19 -0.30 0.03 0.00 0.56 0.00 0.00 36.38 36.49 2jqz s VAL 40 CO 0.18 0.11 0.16 -0.69 -0.31 0.00 0.00 175.10 174.55 2jqz s VAL 41 N 0.12 4.22 -1.26 1.32 1.01 -1.07 -2.58 120.40 122.16 2jqz s VAL 41 Ca -0.01 -1.00 -0.19 0.00 0.00 0.00 0.00 61.98 60.78 2jqz s VAL 41 Cb -0.04 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.97 2jqz s VAL 41 CO -0.00 -0.22 1.84 -0.67 0.00 0.00 0.00 175.10 176.05 2jqz n ASP 42 N 4.91 4.21 0.00 3.32 2.03 -1.07 -2.64 116.55 127.31 2jqz n ASP 42 Ca -0.12 -2.84 0.00 0.00 0.52 0.00 0.00 54.79 52.35 2jqz n ASP 42 Cb 0.45 -1.71 0.00 0.00 -0.72 0.00 0.00 41.12 39.14 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 5.37 0.23 1.49 0.27 0.00 -1.26 -3.93 105.19 107.36 2jqz n GLY 43 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 0.49 0.00 1.61 7.64 -1.08 -5.07 113.62 117.21 2jqz n SER 44 Ca 0.00 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.18 2jqz n SER 44 Cb 0.00 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 2.55 1.18 3.68 0.23 0.00 -1.09 -5.06 105.19 106.69 2jqz n GLY 45 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.54 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 2.16 -4.97 1.61 6.02 -1.26 -4.74 117.38 116.19 2jqz n GLN 46 Ca 0.00 0.79 -0.31 0.00 -0.01 0.00 0.00 57.00 57.47 2jqz n GLN 46 Cb 0.00 -2.62 -0.15 0.00 1.02 0.00 0.00 30.24 28.49 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 -0.77 0.86 -0.22 0.00 3.76 -0.76 -4.94 115.29 113.22 2jqz s HIS 48 Ca 0.12 -1.14 -0.20 0.00 -0.15 0.00 0.00 55.06 53.69 2jqz s HIS 48 Cb -0.10 -0.29 0.06 0.00 1.11 0.00 0.00 32.58 33.36 2jqz s HIS 48 CO 0.02 -0.76 0.58 -1.54 -0.85 0.00 0.00 174.74 172.18 2jqz s SER 49 N -3.10 -0.60 0.06 1.40 1.04 -1.26 -0.01 113.70 111.23 2jqz s SER 49 Ca 0.32 1.17 -0.05 0.00 0.48 0.00 0.00 55.95 57.86 2jqz s SER 49 Cb 0.04 1.18 -0.05 0.00 0.10 0.00 0.00 66.02 67.29 2jqz s SER 49 CO 0.10 -0.20 0.30 0.42 0.98 0.00 0.00 173.24 174.85 2jqz s THR 50 N 0.32 5.25 0.86 2.02 -4.23 0.77 -4.93 115.64 115.71 2jqz s THR 50 Ca -0.00 0.08 -0.15 0.00 -1.18 0.00 0.00 61.69 60.44 2jqz s THR 50 Cb -0.04 -3.60 -0.03 0.00 1.34 0.00 0.00 72.50 70.17 2jqz s THR 50 CO 0.01 0.24 0.19 0.47 -0.54 0.00 0.00 174.62 174.99 2jqz n ASP 51 N 0.69 -2.61 -4.87 3.99 9.92 -1.26 -2.89 116.55 119.52 2jqz n ASP 51 Ca -0.08 0.40 -0.34 0.00 -0.53 0.00 0.00 54.79 54.25 2jqz n ASP 51 Cb 0.52 -1.11 -0.05 0.00 -0.64 0.00 0.00 41.12 39.84 2jqz n ASP 51 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2jqz s THR 52 N -2.15 5.04 0.25 -3.53 2.01 -1.26 -4.41 115.64 111.60 2jqz s THR 52 Ca 0.56 0.47 0.06 0.00 0.31 0.00 0.00 61.69 63.09 2jqz s THR 52 Cb -0.26 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 2jqz s THR 52 CO 0.67 0.20 0.30 -0.69 -0.69 0.00 0.00 174.62 174.42 2jqz s VAL 53 N -1.50 4.82 -0.13 3.82 1.01 0.36 -4.99 120.40 123.80 2jqz s VAL 53 Ca 0.37 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 61.19 2jqz s VAL 53 Cb -0.14 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 2jqz s VAL 53 CO 0.19 -0.32 -0.14 -1.59 0.00 0.00 0.00 175.10 173.24 2jqz s LYS 54 N -3.94 3.34 -0.20 2.72 -2.85 -1.26 -3.87 119.74 113.68 2jqz s LYS 54 Ca 0.34 -0.70 -0.11 0.00 -1.00 0.00 0.00 55.97 54.51 2jqz s LYS 54 Cb -0.08 -2.60 0.02 0.00 -2.06 0.00 0.00 37.83 33.10 2jqz s LYS 54 CO 0.27 0.22 0.24 0.09 0.10 0.00 0.00 175.35 176.27 2jqz n ASN 55 N 3.49 -1.92 -3.85 0.03 3.02 -1.11 -4.95 115.26 109.98 2jqz n ASN 55 Ca -0.18 -0.14 -0.12 0.00 -0.03 0.00 0.00 54.58 54.11 2jqz n ASN 55 Cb 0.53 -0.58 -0.12 0.00 -0.61 0.00 0.00 39.78 39.00 2jqz n ASN 55 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2jqz s THR 56 N -1.01 0.02 -1.66 3.41 -1.32 -1.23 -4.98 115.64 108.87 2jqz s THR 56 Ca 0.10 -0.14 0.21 0.00 -1.21 0.00 0.00 61.69 60.65 2jqz s THR 56 Cb -0.01 -0.20 0.66 0.00 -1.51 0.00 0.00 72.50 71.44 2jqz s THR 56 CO 0.32 -0.08 1.56 0.18 -2.21 0.00 0.00 174.62 174.39 2jqz n LEU 57 N 2.74 4.18 -2.85 9.08 4.77 -1.26 -4.60 117.00 129.06 2jqz n LEU 57 Ca -0.14 -2.15 -0.03 0.00 -0.03 0.00 0.00 56.01 53.66 2jqz n LEU 57 Cb 0.59 -0.51 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 2jqz n LEU 57 CO 0.22 0.93 0.15 -0.62 -1.33 0.00 0.00 177.39 176.74 2jqz s ASP 58 N -0.98 -1.34 1.00 -1.43 -1.08 -1.26 -1.31 116.67 110.27 2jqz s ASP 58 Ca 0.49 -1.37 -0.12 0.00 -0.52 0.00 0.00 52.55 51.02 2jqz s ASP 58 Cb 0.27 1.75 0.17 0.00 -1.46 0.00 0.00 42.92 43.65 2jqz s ASP 58 CO 0.30 -0.07 0.99 -0.81 0.52 0.00 0.00 175.17 176.09 2jqz n PRO 59 N 3.25 -0.99 -3.57 4.34 -0.04 -1.20 -4.89 135.00 131.89 2jqz n PRO 59 Ca 0.16 -1.52 -0.15 0.00 -0.04 0.00 0.00 63.50 61.94 2jqz n PRO 59 Cb 0.57 -1.02 -0.06 0.00 -0.04 0.00 0.00 33.50 32.95 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 -5.15 0.91 0.00 0.54 0.00 -1.26 -2.60 119.74 112.18 2jqz s LYS 60 Ca 0.56 0.56 0.00 0.00 0.00 0.00 0.00 55.97 57.09 2jqz s LYS 60 Cb -0.02 0.43 0.00 0.00 0.00 0.00 0.00 37.83 38.25 2jqz s LYS 60 CO 0.39 -0.21 0.00 0.91 0.00 0.00 0.00 175.35 176.44 2jqz n TRP 61 N 1.68 0.00 -4.30 1.78 8.01 -1.01 -4.96 117.44 118.64 2jqz n TRP 61 Ca -0.16 0.00 -0.37 0.00 -1.31 0.00 0.00 57.50 55.66 2jqz n TRP 61 Cb 0.56 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.82 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 -1.08 -2.67 -4.27 -0.99 0.23 -0.14 -4.94 115.26 101.41 2jqz n ASN 62 Ca 0.00 -1.08 -0.30 0.00 -0.53 0.00 0.00 54.58 52.68 2jqz n ASN 62 Cb 0.13 -2.45 -0.16 0.00 -2.08 0.00 0.00 39.78 35.22 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 -7.01 1.97 0.05 -3.83 -0.21 -0.96 -4.94 119.66 104.73 2jqz s GLN 63 Ca 0.71 -0.86 0.08 0.00 0.02 0.00 0.00 55.36 55.31 2jqz s GLN 63 Cb -0.39 -1.89 -0.03 0.00 1.00 0.00 0.00 33.01 31.70 2jqz s GLN 63 CO 0.95 0.51 -0.22 -3.38 -2.12 0.00 0.00 175.29 171.03 2jqz s HIS 64 N -0.54 1.92 -0.04 0.91 -3.43 -1.26 -0.15 115.29 112.70 2jqz s HIS 64 Ca 0.09 -0.38 0.06 0.00 -0.80 0.00 0.00 55.06 54.02 2jqz s HIS 64 Cb -0.09 -1.14 -0.01 0.00 -1.43 0.00 0.00 32.58 29.90 2jqz s HIS 64 CO -0.01 0.10 -0.22 0.71 -2.00 0.00 0.00 174.74 173.32 2jqz s TYR 65 N -0.81 2.10 -0.30 0.38 2.02 -1.02 -4.95 117.35 114.76 2jqz s TYR 65 Ca 0.08 -0.52 -0.15 0.00 -0.37 0.00 0.00 57.07 56.12 2jqz s TYR 65 Cb -0.09 -1.37 -0.03 0.00 -0.40 0.00 0.00 41.96 40.07 2jqz s TYR 65 CO 0.02 -0.12 0.35 -0.51 -1.57 0.00 0.00 175.55 173.71 2jqz s ASP 66 N -0.29 6.19 -0.02 2.29 1.01 -1.26 -2.38 116.67 122.21 2jqz s ASP 66 Ca 0.02 0.04 0.03 0.00 0.71 0.00 0.00 52.55 53.35 2jqz s ASP 66 Cb -0.11 -2.19 -0.00 0.00 1.01 0.00 0.00 42.92 41.62 2jqz s ASP 66 CO 0.01 -0.23 -0.11 -0.76 0.21 0.00 0.00 175.17 174.29 2jqz s LEU 67 N 2.02 1.88 0.53 1.23 1.43 0.01 -4.96 118.68 120.82 2jqz s LEU 67 Ca 0.13 -0.22 -0.16 0.00 -1.03 0.00 0.00 54.13 52.84 2jqz s LEU 67 Cb -0.16 -0.63 -0.07 0.00 0.03 0.00 0.00 46.19 45.35 2jqz s LEU 67 CO 0.11 0.11 1.00 -0.31 0.23 0.00 0.00 176.35 177.48 2jqz s TYR 68 N 0.01 3.40 -0.22 0.29 2.02 -1.26 -1.47 117.35 120.13 2jqz s TYR 68 Ca -0.01 1.47 0.01 0.00 -0.37 0.00 0.00 57.07 58.17 2jqz s TYR 68 Cb -0.08 -2.82 0.05 0.00 -0.40 0.00 0.00 41.96 38.72 2jqz s TYR 68 CO 0.00 -0.46 -0.06 0.42 -1.57 0.00 0.00 175.55 173.88 2jqz s ILE 69 N -2.62 1.49 0.00 2.71 -1.09 0.47 -4.88 121.20 117.28 2jqz s ILE 69 Ca 0.59 -1.10 0.00 0.00 -2.23 0.00 0.00 60.65 57.91 2jqz s ILE 69 Cb -0.11 -1.71 0.00 0.00 -1.58 0.00 0.00 42.46 39.06 2jqz s ILE 69 CO 0.32 -0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 2jqz n GLY 70 N 4.70 -1.54 0.00 6.18 0.00 -1.26 -1.65 105.19 111.62 2jqz n GLY 70 Ca -0.12 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.35 2jqz n GLY 70 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jqz n LYS 71 N -0.55 0.00 -2.54 1.61 3.00 -1.26 -3.19 118.16 115.23 2jqz n LYS 71 Ca 0.00 0.74 -0.34 0.00 -0.00 0.00 0.00 58.31 58.71 2jqz n LYS 71 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 35.03 33.62 2jqz n LYS 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2jqz n SER 72 N -2.34 6.08 -4.92 3.14 2.88 -1.26 -5.03 113.62 112.18 2jqz n SER 72 Ca 0.00 -3.73 -0.21 0.00 -1.33 0.00 0.00 58.87 53.60 2jqz n SER 72 Cb 0.00 -0.84 -0.03 0.00 -0.75 0.00 0.00 64.21 62.59 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 -2.31 5.93 -0.00 -3.46 2.15 -1.19 -5.00 116.67 112.79 2jqz s ASP 73 Ca 0.46 -0.11 -0.15 0.00 0.43 0.00 0.00 52.55 53.18 2jqz s ASP 73 Cb 0.31 -1.56 0.02 0.00 -0.30 0.00 0.00 42.92 41.40 2jqz s ASP 73 CO -0.21 -0.13 0.31 -0.94 -0.17 0.00 0.00 175.17 174.03 2jqz s SER 74 N -3.96 -0.18 -0.02 -0.34 1.04 -1.25 -2.93 113.70 106.05 2jqz s SER 74 Ca 0.36 0.03 0.08 0.00 0.48 0.00 0.00 55.95 56.89 2jqz s SER 74 Cb -0.08 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 2jqz s SER 74 CO 0.28 -0.48 -0.25 -0.69 0.98 0.00 0.00 173.24 173.08 2jqz s VAL 75 N -1.57 2.16 -0.16 5.02 1.01 -0.82 -2.61 120.40 123.43 2jqz s VAL 75 Ca -0.12 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.78 2jqz s VAL 75 Cb -0.04 -1.76 0.04 0.00 0.00 0.00 0.00 36.38 34.62 2jqz s VAL 75 CO 0.03 0.58 -0.04 -0.89 0.00 0.00 0.00 175.10 174.77 2jqz s THR 76 N -0.63 1.01 -0.22 3.92 2.01 -1.06 -1.94 115.64 118.73 2jqz s THR 76 Ca 0.10 -0.56 -0.14 0.00 0.31 0.00 0.00 61.69 61.40 2jqz s THR 76 Cb -0.10 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 2jqz s THR 76 CO -0.01 0.12 0.34 -0.63 -0.69 0.00 0.00 174.62 173.75 2jqz s ILE 77 N 1.68 5.24 0.22 1.82 1.01 -0.13 -2.33 121.20 128.70 2jqz s ILE 77 Ca 0.01 0.56 0.09 0.00 0.00 0.00 0.00 60.65 61.31 2jqz s ILE 77 Cb -0.15 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 2jqz s ILE 77 CO -0.08 0.27 -0.01 -0.94 0.00 0.00 0.00 174.94 174.18 2jqz s SER 78 N 1.11 4.61 -0.06 3.58 1.04 -0.37 -0.06 113.70 123.55 2jqz s SER 78 Ca 0.16 -0.53 0.01 0.00 0.48 0.00 0.00 55.95 56.06 2jqz s SER 78 Cb -0.15 -0.90 0.02 0.00 0.10 0.00 0.00 66.02 65.09 2jqz s SER 78 CO 0.07 0.05 -0.05 -0.69 0.98 0.00 0.00 173.24 173.60 2jqz s VAL 79 N -2.00 0.66 0.19 5.02 1.01 0.12 -0.48 120.40 124.93 2jqz s VAL 79 Ca 0.29 -0.15 0.09 0.00 0.00 0.00 0.00 61.98 62.21 2jqz s VAL 79 Cb -0.08 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 2jqz s VAL 79 CO 0.19 0.27 -0.18 0.26 0.00 0.00 0.00 175.10 175.64 2jqz s TRP 80 N 1.20 1.90 -0.69 5.22 0.52 -0.89 -1.34 118.94 124.86 2jqz s TRP 80 Ca -0.06 -0.46 -0.19 0.00 0.02 0.00 0.00 56.10 55.40 2jqz s TRP 80 Cb -0.14 -0.91 0.11 0.00 -1.15 0.00 0.00 33.47 31.38 2jqz s TRP 80 CO -0.02 0.40 0.85 -0.80 0.02 0.00 0.00 176.95 177.41 2jqz s ASN 81 N -2.92 6.30 0.40 2.95 0.02 -0.13 -2.15 114.94 119.41 2jqz s ASN 81 Ca 0.20 -1.54 0.23 0.00 -1.02 0.00 0.00 52.86 50.73 2jqz s ASN 81 Cb -0.05 -2.34 1.30 0.00 0.02 0.00 0.00 41.25 40.18 2jqz s ASN 81 CO 0.08 -1.15 1.63 -0.74 0.02 0.00 0.00 177.10 176.95 2jqz h HIS 82 N 9.11 0.70 0.35 2.20 -0.00 -1.38 -0.03 115.15 126.10 2jqz h HIS 82 Ca -0.18 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.21 2jqz h HIS 82 Cb 1.07 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 28.29 2jqz h HIS 82 CO 0.94 -0.24 -0.28 0.87 -0.00 0.00 0.00 177.93 179.23 2jqz h LYS 83 N 0.15 -0.60 0.00 5.26 1.79 -1.92 -2.66 116.57 118.59 2jqz h LYS 83 Ca 0.79 0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 59.19 2jqz h LYS 83 Cb 2.20 0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 32.97 2jqz h LYS 83 CO -0.53 -0.40 -0.51 0.87 -1.08 0.00 0.00 179.45 177.79 2jqz h LYS 84 N -0.63 0.00 -0.07 3.15 1.79 -1.38 -2.71 116.57 116.73 2jqz h LYS 84 Ca -0.03 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.46 2jqz h LYS 84 Cb 0.55 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2jqz h LYS 84 CO -0.01 0.51 0.06 -0.84 -1.08 0.00 0.00 179.45 178.08 2jqz h ILE 85 N 0.00 0.83 0.01 1.86 3.07 -0.15 0.97 117.51 124.11 2jqz h ILE 85 Ca -0.01 0.00 -0.19 0.00 1.55 0.00 0.00 64.86 66.21 2jqz h ILE 85 Cb 1.36 0.96 -0.02 0.00 -0.27 0.00 0.00 36.82 38.85 2jqz h ILE 85 CO 0.07 0.00 -0.88 -0.74 -1.05 0.00 0.00 178.15 175.55 2jqz h HIS 86 N 0.00 0.14 0.00 0.16 2.76 -1.26 -2.95 115.15 114.01 2jqz h HIS 86 Ca 0.03 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 2jqz h HIS 86 Cb 0.14 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.09 2jqz h HIS 86 CO 0.00 0.92 0.02 1.17 -1.30 0.00 0.00 177.93 178.74 2jqz n LYS 87 N -3.58 0.00 -0.59 5.26 3.00 0.33 -4.93 118.16 117.66 2jqz n LYS 87 Ca -0.02 0.24 0.07 0.00 -0.00 0.00 0.00 58.31 58.60 2jqz n LYS 87 Cb 0.82 -1.52 -0.03 0.00 0.00 0.00 0.00 35.03 34.30 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 -1.22 -1.28 0.00 1.64 4.76 -1.01 -4.89 118.16 116.15 2jqz n LYS 88 Ca 0.00 0.97 0.00 0.00 -2.87 0.00 0.00 58.31 56.41 2jqz n LYS 88 Cb 0.02 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 31.68 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 -3.21 0.00 0.00 1.97 7.27 -1.26 -2.85 117.38 119.30 2jqz n GLN 89 Ca -0.02 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.12 2jqz n GLN 89 Cb 0.27 0.00 0.39 0.00 2.41 0.00 0.00 30.24 33.31 2jqz n GLN 89 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jqz n GLY 90 N 0.00 -0.42 3.67 1.69 0.00 -1.26 -4.78 105.19 104.09 2jqz n GLY 90 Ca 0.00 -0.08 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 2jqz n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqz n ALA 91 N -1.01 1.41 0.00 4.61 0.00 -1.13 -3.79 120.51 120.60 2jqz n ALA 91 Ca 0.10 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2jqz n ALA 91 Cb 0.05 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 16.90 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 4.43 0.93 3.23 0.00 0.00 -1.26 -1.67 105.19 110.84 2jqz n GLY 92 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.59 3.39 -0.04 1.61 5.36 -1.25 -0.96 117.98 124.50 2jqz s PHE 93 Ca 0.00 -1.74 -0.00 0.00 -0.96 0.00 0.00 56.93 54.22 2jqz s PHE 93 Cb 0.00 -3.04 -0.00 0.00 -0.34 0.00 0.00 43.02 39.64 2jqz s PHE 93 CO 0.00 -0.89 0.04 -0.07 -1.46 0.00 0.00 175.22 172.84 2jqz h LEU 94 N 8.33 -0.02 -6.64 6.12 3.38 -1.80 -3.43 115.31 121.25 2jqz h LEU 94 Ca -0.21 0.00 0.19 0.00 0.09 0.00 0.00 57.88 57.95 2jqz h LEU 94 Cb 1.07 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.55 2jqz h LEU 94 CO 0.75 0.21 0.47 -0.83 0.09 0.00 0.00 178.44 179.13 2jqz s GLY 95 N -2.66 0.18 -0.23 0.83 0.00 -0.45 -4.16 107.32 100.83 2jqz s GLY 95 Ca -0.00 3.42 -0.09 0.00 0.00 0.00 0.00 44.72 48.05 2jqz s GLY 95 CO 0.01 3.01 0.11 0.00 0.00 0.00 0.00 173.10 176.22 2jqz s VAL 97 N 1.19 4.79 -0.08 0.00 0.11 0.92 -4.75 120.40 122.57 2jqz s VAL 97 Ca 0.06 -0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.10 2jqz s VAL 97 Cb -0.14 -3.15 0.01 0.00 -1.53 0.00 0.00 36.38 31.56 2jqz s VAL 97 CO 0.04 0.47 -0.15 -0.60 -3.33 0.00 0.00 175.10 171.53 2jqz s ARG 98 N 0.33 2.08 -0.09 1.54 3.52 -1.26 -0.95 118.95 124.11 2jqz s ARG 98 Ca 0.03 -0.54 0.02 0.00 -0.13 0.00 0.00 55.73 55.11 2jqz s ARG 98 Cb -0.12 -1.66 0.01 0.00 -1.56 0.00 0.00 34.95 31.61 2jqz s ARG 98 CO 0.00 0.06 -0.17 -0.51 -0.81 0.00 0.00 175.30 173.88 2jqz s LEU 99 N 0.60 1.80 0.00 -0.88 2.01 -0.82 -5.03 118.68 116.36 2jqz s LEU 99 Ca -0.15 -0.43 -0.03 0.00 0.01 0.00 0.00 54.13 53.53 2jqz s LEU 99 Cb -0.16 -1.10 0.10 0.00 0.01 0.00 0.00 46.19 45.04 2jqz s LEU 99 CO 0.05 0.06 0.68 0.18 1.01 0.00 0.00 176.35 178.33 2jqz n LEU 100 N 3.92 0.00 -0.13 1.79 4.77 -1.26 -1.95 117.00 124.15 2jqz n LEU 100 Ca -0.20 -1.23 -0.07 0.00 -0.03 0.00 0.00 56.01 54.48 2jqz n LEU 100 Cb 0.52 -0.46 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 2jqz n LEU 100 CO 0.25 -0.88 1.00 -1.28 -1.33 0.00 0.00 177.39 175.16 2jqz h SER 101 N -0.55 0.33 -0.22 -1.43 0.87 -1.92 0.27 113.55 110.90 2jqz h SER 101 Ca -0.22 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.34 2jqz h SER 101 Cb 0.76 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 2jqz h SER 101 CO 0.22 0.24 0.09 -0.55 -0.53 0.00 0.00 176.83 176.30 2jqz h ASN 102 N 0.44 0.29 -0.61 6.23 7.08 -1.94 -2.35 115.58 124.72 2jqz h ASN 102 Ca 0.17 -0.15 -0.04 0.00 -3.08 0.00 0.00 56.30 53.20 2jqz h ASN 102 Cb 0.05 -0.08 -0.03 0.00 -2.08 0.00 0.00 38.32 36.19 2jqz h ASN 102 CO -0.10 0.36 0.25 0.00 -2.08 0.00 0.00 177.43 175.86 2jqz h ALA 103 N 0.94 1.23 -0.73 4.14 0.00 -1.87 -2.40 119.26 120.57 2jqz h ALA 103 Ca 0.07 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2jqz h ALA 103 Cb 0.15 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2jqz h ALA 103 CO -0.01 0.56 0.48 0.82 0.00 0.00 0.00 179.25 181.11 2jqz h ILE 104 N 0.92 1.17 0.31 0.00 5.03 -0.10 0.20 117.51 125.05 2jqz h ILE 104 Ca 0.22 -0.33 -0.02 0.00 -0.12 0.00 0.00 64.86 64.61 2jqz h ILE 104 Cb 0.19 0.12 0.00 0.00 -3.03 0.00 0.00 36.82 34.11 2jqz h ILE 104 CO -0.02 0.18 -0.15 0.78 -0.68 0.00 0.00 178.15 178.26 2jqz h ASN 105 N 0.97 -0.36 -0.87 1.72 2.35 -0.93 0.45 115.58 118.92 2jqz h ASN 105 Ca 0.27 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2jqz h ASN 105 Cb -0.09 0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 2jqz h ASN 105 CO -0.06 0.07 0.50 0.03 -1.65 0.00 0.00 177.43 176.31 2jqz h ARG 106 N -0.87 1.20 -0.07 0.81 3.08 -1.36 -2.90 114.38 114.26 2jqz h ARG 106 Ca -0.04 -0.13 -0.14 0.00 0.07 0.00 0.00 59.98 59.74 2jqz h ARG 106 Cb 0.52 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 30.34 2jqz h ARG 106 CO 0.07 0.86 -0.50 -0.07 -1.07 0.00 0.00 179.97 179.26 2jqz h LEU 107 N 1.20 0.57 -2.02 3.04 3.38 -0.67 -2.74 115.31 118.08 2jqz h LEU 107 Ca 0.31 -0.67 0.13 0.00 0.09 0.00 0.00 57.88 57.74 2jqz h LEU 107 Cb -0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2jqz h LEU 107 CO -0.05 1.15 0.41 0.07 0.09 0.00 0.00 178.44 180.11 2jqz h LYS 108 N 0.03 0.00 0.03 1.13 5.09 0.10 0.75 116.57 123.71 2jqz h LYS 108 Ca -0.04 0.00 -0.31 0.00 0.09 0.00 0.00 60.65 60.39 2jqz h LYS 108 Cb 1.16 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.45 2jqz h LYS 108 CO 0.10 0.00 -1.77 0.38 -2.09 0.00 0.00 179.45 176.08 2jqz h ASP 109 N 0.00 0.11 0.12 7.07 3.04 -1.51 -3.10 116.42 122.15 2jqz h ASP 109 Ca 0.21 -0.24 -0.00 0.00 -3.24 0.00 0.00 57.03 53.75 2jqz h ASP 109 Cb 1.02 -0.04 -0.01 0.00 -1.04 0.00 0.00 39.33 39.27 2jqz h ASP 109 CO -0.00 1.22 -0.14 0.71 -2.04 0.00 0.00 179.24 178.98 2jqz h THR 110 N 0.02 0.00 0.00 1.15 1.35 -0.54 -3.48 112.91 111.41 2jqz h THR 110 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2jqz h THR 110 Cb 2.02 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 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 -1.16 1.08 3.15 5.82 0.00 -0.93 -4.95 105.19 108.21 2jqz n GLY 111 Ca -0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.22 -0.09 1.61 2.02 -1.26 -4.19 117.35 113.22 2jqz s TYR 112 Ca 0.00 0.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.85 2jqz s TYR 112 Cb 0.00 0.04 0.02 0.00 -0.40 0.00 0.00 41.96 41.62 2jqz s TYR 112 CO 0.00 -0.13 -0.11 -0.65 -1.57 0.00 0.00 175.55 173.09 2jqz s GLN 113 N 2.98 1.73 -0.49 -0.62 -1.52 0.48 -4.93 119.66 117.29 2jqz s GLN 113 Ca 0.26 -0.39 -0.15 0.00 -1.95 0.00 0.00 55.36 53.13 2jqz s GLN 113 Cb -0.01 -1.53 0.10 0.00 -0.22 0.00 0.00 33.01 31.34 2jqz s GLN 113 CO -0.21 -0.07 0.42 -0.98 -0.25 0.00 0.00 175.29 174.20 2jqz s ARG 114 N 1.02 2.93 -0.26 2.91 1.70 -1.26 -0.86 118.95 125.13 2jqz s ARG 114 Ca -0.08 -1.51 -0.15 0.00 -0.47 0.00 0.00 55.73 53.52 2jqz s ARG 114 Cb -0.15 -4.16 -0.04 0.00 -0.57 0.00 0.00 34.95 30.03 2jqz s ARG 114 CO -0.01 -1.14 0.37 -0.51 -1.08 0.00 0.00 175.30 172.93 2jqz s LEU 115 N 1.60 4.05 0.02 -1.89 2.01 0.66 -4.85 118.68 120.29 2jqz s LEU 115 Ca 0.04 0.30 -0.30 0.00 0.01 0.00 0.00 54.13 54.18 2jqz s LEU 115 Cb -0.26 -2.42 -0.07 0.00 0.01 0.00 0.00 46.19 43.44 2jqz s LEU 115 CO 0.05 -0.17 1.65 -1.81 1.01 0.00 0.00 176.35 177.07 2jqz s ASP 116 N 1.58 6.64 -0.17 2.29 1.01 -1.26 -1.01 116.67 125.75 2jqz s ASP 116 Ca 0.15 2.38 -0.29 0.00 0.71 0.00 0.00 52.55 55.50 2jqz s ASP 116 Cb -0.16 -2.55 -0.00 0.00 1.01 0.00 0.00 42.92 41.22 2jqz s ASP 116 CO 0.10 -0.89 1.03 -0.76 0.21 0.00 0.00 175.17 174.85 2jqz s LEU 117 N 3.15 4.17 0.32 1.23 1.43 0.17 -4.85 118.68 124.30 2jqz s LEU 117 Ca 0.74 1.45 -0.15 0.00 -1.03 0.00 0.00 54.13 55.14 2jqz s LEU 117 Cb -0.37 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 42.33 2jqz s LEU 117 CO 0.31 -0.57 0.66 0.00 0.23 0.00 0.00 176.35 176.99 2jqz n LYS 119 N -0.48 0.18 0.21 0.00 -0.00 -1.26 -4.11 118.16 112.69 2jqz n LYS 119 Ca -0.04 0.12 0.06 0.00 -0.00 0.00 0.00 58.31 58.44 2jqz n LYS 119 Cb 0.60 -2.09 0.46 0.00 -0.00 0.00 0.00 35.03 34.00 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 -0.76 0.00 -8.77 -5.58 3.38 -1.94 -3.45 115.31 98.19 2jqz h LEU 120 Ca -0.46 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.20 2jqz h LEU 120 Cb 1.32 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.92 2jqz h LEU 120 CO 0.43 0.29 -0.64 -0.83 0.09 0.00 0.00 178.44 177.77 2jqz s GLY 121 N -4.27 1.47 -0.14 0.83 0.00 -1.26 -5.08 107.32 98.87 2jqz s GLY 121 Ca -0.03 -1.72 -0.29 0.00 0.00 0.00 0.00 44.72 42.68 2jqz s GLY 121 CO 0.69 -1.56 0.76 -0.56 0.00 0.00 0.00 173.10 172.43 2jqz h PRO 122 N 2.55 0.00 -0.86 2.90 0.13 -2.03 -3.29 132.00 131.40 2jqz h PRO 122 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2jqz h PRO 122 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2jqz h PRO 122 CO 0.62 0.99 0.00 0.27 -0.23 0.00 0.00 178.00 179.65 2jqz n ASN 123 N -4.61 1.61 -2.47 1.44 0.23 -1.26 -3.54 115.26 106.66 2jqz n ASN 123 Ca -0.10 -2.13 -0.08 0.00 -0.53 0.00 0.00 54.58 51.74 2jqz n ASN 123 Cb 0.48 -0.49 0.04 0.00 -2.08 0.00 0.00 39.78 37.73 2jqz n ASN 123 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2jqz n ASP 124 N 0.07 2.73 -4.55 0.53 9.92 -1.24 -5.05 116.55 118.96 2jqz n ASP 124 Ca 0.04 -2.66 -0.31 0.00 -0.53 0.00 0.00 54.79 51.33 2jqz n ASP 124 Cb 0.37 -0.43 -0.05 0.00 -0.64 0.00 0.00 41.12 40.37 2jqz n ASP 124 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2jqz n ASN 125 N -0.61 1.98 -3.77 -2.24 2.04 -1.23 -4.67 115.26 106.76 2jqz n ASN 125 Ca 0.20 -0.67 -0.37 0.00 -0.44 0.00 0.00 54.58 53.30 2jqz n ASN 125 Cb 0.87 -1.53 -0.02 0.00 -2.53 0.00 0.00 39.78 36.56 2jqz n ASN 125 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 2jqz n ASP 126 N 15.95 5.55 -3.19 0.53 8.00 -1.26 -4.87 116.55 137.25 2jqz n ASP 126 Ca 0.42 -3.45 -0.23 0.00 0.71 0.00 0.00 54.79 52.24 2jqz n ASP 126 Cb 0.48 -1.05 0.02 0.00 -0.02 0.00 0.00 41.12 40.55 2jqz n ASP 126 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2jqz n THR 127 N 1.06 -7.50 -4.18 -3.53 -2.24 -1.26 -4.76 114.28 91.86 2jqz n THR 127 Ca 0.28 0.46 -0.12 0.00 -2.27 0.00 0.00 64.05 62.40 2jqz n THR 127 Cb 0.36 -5.41 -0.10 0.00 -2.10 0.00 0.00 70.33 63.07 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 -2.09 0.79 0.00 2.28 0.11 -1.26 -4.80 120.40 115.43 2jqz s VAL 128 Ca 0.30 -1.88 0.00 0.00 -2.93 0.00 0.00 61.98 57.47 2jqz s VAL 128 Cb -0.05 -1.61 0.00 0.00 -1.53 0.00 0.00 36.38 33.18 2jqz s VAL 128 CO 0.82 -0.79 0.00 -1.14 -3.33 0.00 0.00 175.10 170.66 2jqz n ARG 129 N 0.08 0.00 0.00 1.54 0.63 -1.26 -4.94 116.66 112.71 2jqz n ARG 129 Ca -0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 2jqz n ARG 129 Cb 0.60 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.51 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 -0.74 3.38 5.14 0.00 -0.47 -2.30 105.19 110.21 2jqz n GLY 130 Ca 0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.00 1.66 -0.29 1.61 1.11 0.54 0.42 119.66 122.71 2jqz s GLN 131 Ca 0.00 -1.72 -0.14 0.00 0.01 0.00 0.00 55.36 53.51 2jqz s GLN 131 Cb 0.00 0.38 0.10 0.00 -1.01 0.00 0.00 33.01 32.48 2jqz s GLN 131 CO 0.00 -0.64 0.67 -1.50 0.01 0.00 0.00 175.29 173.83 2jqz s ILE 132 N -3.54 -0.41 -0.32 1.08 2.07 -0.18 -0.66 121.20 119.24 2jqz s ILE 132 Ca 0.34 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.45 2jqz s ILE 132 Cb 0.02 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.58 2jqz s ILE 132 CO 0.19 0.00 0.27 -0.69 -1.91 0.00 0.00 174.94 172.80 2jqz s VAL 133 N 2.16 5.25 0.37 4.00 1.01 0.82 -0.24 120.40 133.77 2jqz s VAL 133 Ca -0.08 0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2jqz s VAL 133 Cb -0.08 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 2jqz s VAL 133 CO -0.20 0.05 0.03 1.33 0.00 0.00 0.00 175.10 176.31 2jqz n VAL 134 N 5.13 0.00 -3.72 2.92 0.24 -0.04 -2.12 118.33 120.74 2jqz n VAL 134 Ca -0.12 -1.83 -0.15 0.00 -2.04 0.00 0.00 64.34 60.20 2jqz n VAL 134 Cb 0.50 0.43 -0.15 0.00 -1.47 0.00 0.00 33.84 33.16 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 -3.09 0.24 -0.33 -1.34 1.04 -0.30 -0.38 113.70 109.54 2jqz s SER 135 Ca 0.04 0.26 -0.09 0.00 0.48 0.00 0.00 55.95 56.64 2jqz s SER 135 Cb 0.00 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.29 2jqz s SER 135 CO 0.03 -0.18 0.14 -0.76 0.98 0.00 0.00 173.24 173.45 2jqz s LEU 136 N 1.54 4.25 -0.07 2.42 2.01 -1.26 -1.17 118.68 126.40 2jqz s LEU 136 Ca -0.05 -0.82 -0.03 0.00 0.01 0.00 0.00 54.13 53.24 2jqz s LEU 136 Cb -0.12 -1.95 0.04 0.00 0.01 0.00 0.00 46.19 44.16 2jqz s LEU 136 CO -0.05 -0.27 0.16 -1.58 1.01 0.00 0.00 176.35 175.61 2jqz s GLN 137 N 1.53 0.12 -0.04 1.70 0.74 -1.06 -2.18 119.66 120.47 2jqz s GLN 137 Ca 0.02 0.37 -0.30 0.00 0.05 0.00 0.00 55.36 55.50 2jqz s GLN 137 Cb -0.18 -0.14 -0.04 0.00 1.10 0.00 0.00 33.01 33.75 2jqz s GLN 137 CO 0.05 -0.15 1.26 -1.54 -0.55 0.00 0.00 175.29 174.36 2jqz s SER 138 N 1.04 6.99 0.27 6.67 1.04 -1.22 -2.22 113.70 126.27 2jqz s SER 138 Ca -0.08 1.91 -0.24 0.00 0.48 0.00 0.00 55.95 58.02 2jqz s SER 138 Cb -0.10 -2.56 -0.09 0.00 0.10 0.00 0.00 66.02 63.37 2jqz s SER 138 CO -0.05 -0.62 0.85 -0.13 0.98 0.00 0.00 173.24 174.27 2jqz s ARG 139 N 2.24 4.50 0.00 4.02 1.81 0.13 -4.90 118.95 126.74 2jqz s ARG 139 Ca 0.58 1.17 0.25 0.00 -1.72 0.00 0.00 55.73 56.02 2jqz s ARG 139 Cb -0.27 -2.92 0.46 0.00 -0.45 0.00 0.00 34.95 31.77 2jqz s ARG 139 CO 0.23 0.37 1.41 -0.25 -0.68 0.00 0.00 175.30 176.38