#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqz s PRO 11 N 0.00 -0.08 -0.06 1.61 0.02 -1.26 -4.89 135.00 130.34 2jqz s PRO 11 Ca 0.00 1.10 0.03 0.00 0.02 0.00 0.00 61.00 62.15 2jqz s PRO 11 Cb 0.00 -1.63 -0.03 0.00 0.02 0.00 0.00 34.50 32.86 2jqz s PRO 11 CO 0.00 -3.24 -0.13 0.14 -0.33 0.00 0.00 177.00 173.44 2jqz s VAL 12 N -2.56 3.13 -0.51 3.83 -7.23 -0.06 -4.80 120.40 112.21 2jqz s VAL 12 Ca 0.67 -0.69 -0.26 0.00 -1.81 0.00 0.00 61.98 59.89 2jqz s VAL 12 Cb -0.24 -2.24 0.03 0.00 0.56 0.00 0.00 36.38 34.50 2jqz s VAL 12 CO 0.62 0.59 1.00 -0.75 -0.31 0.00 0.00 175.10 176.24 2jqz s LYS 13 N -0.67 3.50 -0.17 4.82 2.47 -1.26 -0.63 119.74 127.79 2jqz s LYS 13 Ca 0.10 0.11 -0.07 0.00 -1.56 0.00 0.00 55.97 54.55 2jqz s LYS 13 Cb -0.11 -3.97 -0.04 0.00 -1.46 0.00 0.00 37.83 32.25 2jqz s LYS 13 CO 0.01 -1.39 0.05 -1.17 0.16 0.00 0.00 175.35 173.01 2jqz s LEU 14 N 4.09 3.74 -0.36 5.43 1.98 -0.40 -1.60 118.68 131.56 2jqz s LEU 14 Ca 0.37 0.07 -0.08 0.00 -2.89 0.00 0.00 54.13 51.60 2jqz s LEU 14 Cb -0.10 -1.93 0.04 0.00 0.66 0.00 0.00 46.19 44.86 2jqz s LEU 14 CO 0.25 0.20 0.16 -0.60 -1.89 0.00 0.00 176.35 174.47 2jqz s ARG 15 N 0.23 2.68 -0.41 1.98 3.52 -0.95 -1.67 118.95 124.33 2jqz s ARG 15 Ca 0.03 -1.19 -0.15 0.00 -0.13 0.00 0.00 55.73 54.28 2jqz s ARG 15 Cb -0.12 -3.60 0.02 0.00 -1.56 0.00 0.00 34.95 29.68 2jqz s ARG 15 CO 0.01 -0.73 0.33 -1.17 -0.81 0.00 0.00 175.30 172.93 2jqz s LEU 16 N 1.45 5.04 -0.46 -0.88 2.96 -0.59 -2.57 118.68 123.64 2jqz s LEU 16 Ca 0.00 -0.84 -0.20 0.00 -0.22 0.00 0.00 54.13 52.87 2jqz s LEU 16 Cb -0.20 -2.21 0.03 0.00 0.50 0.00 0.00 46.19 44.31 2jqz s LEU 16 CO 0.04 -0.48 0.63 -0.89 -1.32 0.00 0.00 176.35 174.33 2jqz s THR 17 N 1.79 4.85 -0.97 3.68 2.01 -0.26 -1.62 115.64 125.12 2jqz s THR 17 Ca 0.07 -0.07 -0.24 0.00 0.31 0.00 0.00 61.69 61.76 2jqz s THR 17 Cb -0.19 -4.22 0.05 0.00 0.01 0.00 0.00 72.50 68.15 2jqz s THR 17 CO 0.11 -0.64 1.41 -0.69 -0.69 0.00 0.00 174.62 174.11 2jqz s VAL 18 N 2.75 3.91 0.03 3.82 1.01 0.71 -0.68 120.40 131.96 2jqz s VAL 18 Ca 0.20 -0.59 -0.27 0.00 0.00 0.00 0.00 61.98 61.33 2jqz s VAL 18 Cb -0.15 -5.03 -0.15 0.00 0.00 0.00 0.00 36.38 31.05 2jqz s VAL 18 CO 0.17 -1.91 1.24 0.25 0.00 0.00 0.00 175.10 174.85 2jqz h LEU 19 N 12.75 -0.82 -7.85 3.92 6.46 -1.32 -0.46 115.31 128.00 2jqz h LEU 19 Ca 0.12 0.03 0.12 0.00 -0.12 0.00 0.00 57.88 58.02 2jqz h LEU 19 Cb 1.02 0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 41.11 2jqz h LEU 19 CO 1.39 -0.51 0.42 0.00 -0.62 0.00 0.00 178.44 179.12 2jqz s ALA 21 N -3.02 2.05 0.16 0.00 0.00 -1.20 0.14 121.76 119.88 2jqz s ALA 21 Ca 0.14 -1.56 0.06 0.00 0.00 0.00 0.00 51.96 50.61 2jqz s ALA 21 Cb -0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 2jqz s ALA 21 CO 0.05 0.19 -0.12 0.15 0.00 0.00 0.00 175.76 176.04 2jqz s LYS 22 N -3.06 1.14 -1.09 0.00 -0.14 -0.22 -3.55 119.74 112.82 2jqz s LYS 22 Ca 0.18 -1.47 -0.23 0.00 -1.36 0.00 0.00 55.97 53.09 2jqz s LYS 22 Cb -0.04 -0.82 0.03 0.00 -1.68 0.00 0.00 37.83 35.31 2jqz s LYS 22 CO 0.07 0.12 0.68 -1.71 -0.76 0.00 0.00 175.35 173.76 2jqz n ASN 23 N -0.16 -4.61 -4.68 2.83 4.05 -1.13 -0.40 115.26 111.18 2jqz n ASN 23 Ca -0.10 -1.14 -0.43 0.00 0.45 0.00 0.00 54.58 53.36 2jqz n ASN 23 Cb 0.60 -2.02 -0.02 0.00 1.23 0.00 0.00 39.78 39.56 2jqz n ASN 23 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2jqz s LEU 24 N -6.60 4.23 -0.25 1.20 2.01 -1.10 -2.09 118.68 116.07 2jqz s LEU 24 Ca 0.36 1.71 -0.33 0.00 0.01 0.00 0.00 54.13 55.88 2jqz s LEU 24 Cb -0.18 -3.55 -0.10 0.00 0.01 0.00 0.00 46.19 42.37 2jqz s LEU 24 CO 0.93 -0.65 2.12 0.55 1.01 0.00 0.00 176.35 180.32 2jqz n VAL 25 N 4.95 0.33 0.23 -1.59 3.14 -1.26 -4.75 118.33 119.37 2jqz n VAL 25 Ca 0.12 -0.28 0.03 0.00 -2.96 0.00 0.00 64.34 61.25 2jqz n VAL 25 Cb 0.46 -1.97 0.13 0.00 -1.06 0.00 0.00 33.84 31.40 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 7.96 0.04 0.00 1.45 2.85 -1.26 -4.56 118.16 124.64 2jqz n LYS 26 Ca 0.33 0.32 0.00 0.00 -1.05 0.00 0.00 58.31 57.91 2jqz n LYS 26 Cb 0.31 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.19 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 -3.92 -1.58 4.76 -1.26 -4.17 118.16 110.59 2jqz n LYS 27 Ca 0.02 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.10 2jqz n LYS 27 Cb 0.06 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.18 2jqz n LYS 27 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2jqz s ASP 28 N -3.69 6.18 0.00 4.39 2.15 -1.26 -5.04 116.67 119.40 2jqz s ASP 28 Ca 0.00 0.37 -0.00 0.00 0.43 0.00 0.00 52.55 53.35 2jqz s ASP 28 Cb 0.00 -2.00 -0.00 0.00 -0.30 0.00 0.00 42.92 40.62 2jqz s ASP 28 CO 0.00 0.36 1.01 -0.26 -0.17 0.00 0.00 175.17 176.10 2jqz h PHE 29 N 5.36 -0.02 0.00 -5.34 -1.00 -2.02 -0.82 116.94 113.10 2jqz h PHE 29 Ca -0.51 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.27 2jqz h PHE 29 Cb 1.21 0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.78 2jqz h PHE 29 CO 0.71 -0.01 0.00 1.19 -1.61 0.00 0.00 178.31 178.59 2jqz n PHE 30 N -2.63 0.00 -4.47 -0.55 3.72 -1.26 -4.75 117.46 107.51 2jqz n PHE 30 Ca -0.00 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.17 2jqz n PHE 30 Cb 0.00 -0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.44 2jqz n PHE 30 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2jqz s ARG 31 N -1.96 1.68 0.04 -1.08 0.52 -0.31 -5.17 118.95 112.67 2jqz s ARG 31 Ca 0.00 -1.92 0.02 0.00 -0.52 0.00 0.00 55.73 53.32 2jqz s ARG 31 Cb 0.00 -1.08 -0.02 0.00 0.52 0.00 0.00 34.95 34.36 2jqz s ARG 31 CO 0.00 -0.10 -0.08 -0.51 0.02 0.00 0.00 175.30 174.63 2jqz s LEU 32 N -3.52 2.24 0.23 2.53 2.01 -1.26 -4.48 118.68 116.44 2jqz s LEU 32 Ca 0.34 -0.53 -0.09 0.00 0.01 0.00 0.00 54.13 53.86 2jqz s LEU 32 Cb 0.08 -0.19 -0.07 0.00 0.01 0.00 0.00 46.19 46.02 2jqz s LEU 32 CO 0.15 -0.18 0.54 -2.16 1.01 0.00 0.00 176.35 175.71 2jqz s PRO 33 N -1.51 3.79 -0.82 1.29 0.04 -1.26 -4.69 135.00 131.82 2jqz s PRO 33 Ca -0.09 0.25 0.01 0.00 0.04 0.00 0.00 61.00 61.21 2jqz s PRO 33 Cb -0.10 -2.66 0.21 0.00 0.04 0.00 0.00 34.50 32.00 2jqz s PRO 33 CO 0.00 0.32 0.73 -0.25 0.04 0.00 0.00 177.00 177.84 2jqz n ASP 34 N -0.15 3.90 -4.77 6.66 9.92 -1.26 -1.77 116.55 129.08 2jqz n ASP 34 Ca 0.00 -3.21 -0.40 0.00 -0.53 0.00 0.00 54.79 50.65 2jqz n ASP 34 Cb 0.52 -0.93 0.00 0.00 -0.64 0.00 0.00 41.12 40.08 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 -1.60 3.96 0.12 -0.24 0.04 -1.18 -1.28 135.00 134.83 2jqz s PRO 35 Ca 0.28 2.49 -0.14 0.00 0.04 0.00 0.00 61.00 63.67 2jqz s PRO 35 Cb -0.03 -2.85 0.02 0.00 0.04 0.00 0.00 34.50 31.68 2jqz s PRO 35 CO -0.12 -0.62 0.35 -0.59 0.04 0.00 0.00 177.00 176.06 2jqz s PHE 36 N -1.16 -0.08 0.15 0.56 -0.71 -0.87 -0.15 117.98 115.72 2jqz s PHE 36 Ca 0.56 -0.27 0.09 0.00 -1.04 0.00 0.00 56.93 56.26 2jqz s PHE 36 Cb -0.45 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.49 2jqz s PHE 36 CO 0.60 -0.67 -0.13 0.00 -1.34 0.00 0.00 175.22 173.67 2jqz s ALA 37 N -3.83 2.83 -0.13 1.99 0.00 -1.12 -1.38 121.76 120.13 2jqz s ALA 37 Ca 0.04 -1.41 -0.05 0.00 0.00 0.00 0.00 51.96 50.54 2jqz s ALA 37 Cb 0.03 -0.70 0.06 0.00 0.00 0.00 0.00 23.12 22.50 2jqz s ALA 37 CO -0.11 0.53 0.27 0.15 0.00 0.00 0.00 175.76 176.60 2jqz s LYS 38 N -2.50 0.17 0.08 0.00 1.02 0.56 -0.28 119.74 118.79 2jqz s LYS 38 Ca 0.22 0.71 0.02 0.00 0.02 0.00 0.00 55.97 56.94 2jqz s LYS 38 Cb -0.10 -0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.13 2jqz s LYS 38 CO 0.13 -0.25 0.12 0.54 -0.92 0.00 0.00 175.35 174.97 2jqz s VAL 39 N 2.12 4.78 -0.00 3.17 0.11 -0.22 -0.37 120.40 130.00 2jqz s VAL 39 Ca -0.02 -0.67 0.03 0.00 -2.93 0.00 0.00 61.98 58.39 2jqz s VAL 39 Cb -0.12 -3.32 -0.01 0.00 -1.53 0.00 0.00 36.38 31.41 2jqz s VAL 39 CO -0.09 0.12 -0.08 0.68 -3.33 0.00 0.00 175.10 172.40 2jqz s VAL 40 N -1.43 0.65 -0.63 2.04 -7.23 -0.84 -2.64 120.40 110.33 2jqz s VAL 40 Ca 0.31 -0.42 -0.14 0.00 -1.81 0.00 0.00 61.98 59.92 2jqz s VAL 40 Cb -0.12 -0.56 0.16 0.00 0.56 0.00 0.00 36.38 36.41 2jqz s VAL 40 CO 0.24 0.14 0.56 -0.69 -0.31 0.00 0.00 175.10 175.04 2jqz s VAL 41 N -0.29 5.14 -0.39 1.32 1.01 -1.18 -2.77 120.40 123.24 2jqz s VAL 41 Ca 0.02 -1.91 -0.09 0.00 0.00 0.00 0.00 61.98 60.00 2jqz s VAL 41 Cb -0.04 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 31.97 2jqz s VAL 41 CO -0.00 -0.91 0.99 -0.90 0.00 0.00 0.00 175.10 174.28 2jqz n ASP 42 N 4.72 -0.11 0.00 3.32 5.75 -1.25 0.09 116.55 129.07 2jqz n ASP 42 Ca -0.03 -0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 2jqz n ASP 42 Cb 0.42 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 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 2.43 0.10 7.00 6.12 0.00 -1.26 -4.98 105.19 114.60 2jqz n GLY 43 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.69 0.00 1.61 7.64 0.11 -4.90 113.62 114.39 2jqz n SER 44 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jqz n SER 44 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2jqz n SER 44 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jqz n GLY 45 N 0.00 2.52 3.10 0.23 0.00 -1.26 -4.73 105.19 105.04 2jqz n GLY 45 Ca 0.00 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 2jqz n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jqz s GLN 46 N 0.00 2.36 -0.05 1.61 -0.21 -1.26 -5.10 119.66 117.01 2jqz s GLN 46 Ca 0.00 -1.27 0.04 0.00 0.02 0.00 0.00 55.36 54.14 2jqz s GLN 46 Cb 0.00 -2.92 0.00 0.00 1.00 0.00 0.00 33.01 31.09 2jqz s GLN 46 CO 0.00 -0.54 -0.16 0.00 -2.12 0.00 0.00 175.29 172.47 2jqz s HIS 48 N 0.21 1.70 -0.04 0.00 3.76 -1.08 -4.96 115.29 114.88 2jqz s HIS 48 Ca -0.07 -0.81 -0.24 0.00 -0.15 0.00 0.00 55.06 53.79 2jqz s HIS 48 Cb -0.13 -0.96 0.05 0.00 1.11 0.00 0.00 32.58 32.65 2jqz s HIS 48 CO 0.03 0.11 0.52 -1.54 -0.85 0.00 0.00 174.74 173.01 2jqz s SER 49 N -3.35 -0.46 0.06 1.40 1.04 -1.26 -1.05 113.70 110.09 2jqz s SER 49 Ca 0.28 0.45 0.04 0.00 0.48 0.00 0.00 55.95 57.20 2jqz s SER 49 Cb 0.04 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 2jqz s SER 49 CO 0.09 -0.53 -0.03 0.42 0.98 0.00 0.00 173.24 174.18 2jqz s THR 50 N -1.22 3.88 0.99 2.02 -4.23 0.62 -4.93 115.64 112.77 2jqz s THR 50 Ca -0.12 -0.93 -0.15 0.00 -1.18 0.00 0.00 61.69 59.31 2jqz s THR 50 Cb -0.02 -2.80 -0.01 0.00 1.34 0.00 0.00 72.50 71.00 2jqz s THR 50 CO 0.07 0.21 -0.05 -0.67 -0.54 0.00 0.00 174.62 173.64 2jqz n ASP 51 N 0.89 -3.14 -4.87 3.99 2.03 -1.26 -2.81 116.55 111.38 2jqz n ASP 51 Ca -0.12 0.21 -0.33 0.00 0.52 0.00 0.00 54.79 55.07 2jqz n ASP 51 Cb 0.52 -1.03 -0.05 0.00 -0.72 0.00 0.00 41.12 39.84 2jqz n ASP 51 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2jqz s THR 52 N -2.26 4.96 -0.34 5.18 2.01 -1.26 -4.35 115.64 119.58 2jqz s THR 52 Ca 0.51 0.51 -0.05 0.00 0.31 0.00 0.00 61.69 62.98 2jqz s THR 52 Cb -0.17 -3.65 0.05 0.00 0.01 0.00 0.00 72.50 68.74 2jqz s THR 52 CO 0.71 0.07 0.09 -0.69 -0.69 0.00 0.00 174.62 174.11 2jqz s VAL 53 N -1.65 3.49 0.32 3.82 1.01 0.79 -4.98 120.40 123.20 2jqz s VAL 53 Ca 0.42 -1.32 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 2jqz s VAL 53 Cb -0.13 -3.04 -0.12 0.00 0.00 0.00 0.00 36.38 33.10 2jqz s VAL 53 CO 0.21 -0.22 1.48 0.29 0.00 0.00 0.00 175.10 176.85 2jqz n LYS 54 N 4.73 2.50 -0.23 2.72 5.02 -1.26 -3.11 118.16 128.54 2jqz n LYS 54 Ca -0.12 0.88 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 2jqz n LYS 54 Cb 0.44 -2.59 0.00 0.00 -0.02 0.00 0.00 35.03 32.85 2jqz n LYS 54 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2jqz n ASN 55 N 1.32 0.00 -3.77 4.39 2.04 -1.21 -4.90 115.26 113.13 2jqz n ASN 55 Ca 0.06 0.00 -0.10 0.00 -0.44 0.00 0.00 54.58 54.10 2jqz n ASN 55 Cb 0.37 0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 37.57 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 0.06 0.00 5.53 -1.32 -0.73 -4.92 115.64 114.25 2jqz s THR 56 Ca 0.00 -0.90 0.00 0.00 -1.21 0.00 0.00 61.69 59.58 2jqz s THR 56 Cb 0.00 -1.50 0.00 0.00 -1.51 0.00 0.00 72.50 69.49 2jqz s THR 56 CO 0.00 -0.27 0.91 0.18 -2.21 0.00 0.00 174.62 173.23 2jqz n LEU 57 N -0.25 1.81 -2.76 9.08 4.77 -1.26 -4.34 117.00 124.05 2jqz n LEU 57 Ca -0.12 -1.81 -0.05 0.00 -0.03 0.00 0.00 56.01 54.00 2jqz n LEU 57 Cb 0.63 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.74 2jqz n LEU 57 CO 0.19 0.45 0.15 -0.67 -1.33 0.00 0.00 177.39 176.18 2jqz n ASP 58 N -0.41 -3.29 -2.25 -1.43 -0.08 -1.26 -2.72 116.55 105.11 2jqz n ASP 58 Ca 0.00 -2.97 -0.04 0.00 -1.51 0.00 0.00 54.79 50.27 2jqz n ASP 58 Cb 0.22 1.75 0.03 0.00 2.34 0.00 0.00 41.12 45.46 2jqz n ASP 58 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2jqz n PRO 59 N 2.63 -0.17 -3.62 -0.67 -0.04 -1.23 -4.91 135.00 126.98 2jqz n PRO 59 Ca 0.16 -0.27 -0.10 0.00 -0.04 0.00 0.00 63.50 63.25 2jqz n PRO 59 Cb 0.58 -0.18 -0.07 0.00 -0.04 0.00 0.00 33.50 33.79 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 -3.38 0.54 0.00 0.54 0.00 -1.26 -3.28 119.74 112.90 2jqz s LYS 60 Ca 0.10 0.52 0.00 0.00 0.00 0.00 0.00 55.97 56.58 2jqz s LYS 60 Cb -0.00 0.26 0.00 0.00 0.00 0.00 0.00 37.83 38.09 2jqz s LYS 60 CO 0.07 -0.09 0.00 0.91 0.00 0.00 0.00 175.35 176.24 2jqz n TRP 61 N 1.91 0.00 -2.38 1.78 8.01 -0.96 -4.97 117.44 120.83 2jqz n TRP 61 Ca -0.12 0.00 -0.17 0.00 -1.31 0.00 0.00 57.50 55.90 2jqz n TRP 61 Cb 0.56 0.03 -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 -1.91 -4.89 -4.58 -0.99 5.15 -0.19 -4.95 115.26 102.90 2jqz n ASN 62 Ca 0.00 0.10 -0.33 0.00 -0.60 0.00 0.00 54.58 53.75 2jqz n ASN 62 Cb 0.17 -4.11 -0.11 0.00 -0.53 0.00 0.00 39.78 35.20 2jqz n ASN 62 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2jqz s GLN 63 N -4.97 2.65 0.29 1.20 -0.21 -1.17 -4.88 119.66 112.57 2jqz s GLN 63 Ca 0.00 -0.63 0.12 0.00 0.02 0.00 0.00 55.36 54.87 2jqz s GLN 63 Cb 0.00 -2.54 -0.05 0.00 1.00 0.00 0.00 33.01 31.42 2jqz s GLN 63 CO 0.00 0.64 -0.18 -3.38 -2.12 0.00 0.00 175.29 170.24 2jqz s HIS 64 N -0.88 2.29 -0.01 0.91 -3.43 -1.26 -0.20 115.29 112.71 2jqz s HIS 64 Ca 0.14 -0.36 0.08 0.00 -0.80 0.00 0.00 55.06 54.12 2jqz s HIS 64 Cb -0.11 -1.04 -0.02 0.00 -1.43 0.00 0.00 32.58 29.98 2jqz s HIS 64 CO 0.04 0.69 -0.24 0.71 -2.00 0.00 0.00 174.74 173.94 2jqz s TYR 65 N -2.54 2.15 -0.70 0.38 2.02 -0.64 -4.92 117.35 113.11 2jqz s TYR 65 Ca 0.30 -0.41 -0.05 0.00 -0.37 0.00 0.00 57.07 56.55 2jqz s TYR 65 Cb -0.04 -1.38 0.18 0.00 -0.40 0.00 0.00 41.96 40.32 2jqz s TYR 65 CO 0.15 -0.02 0.54 -0.51 -1.57 0.00 0.00 175.55 174.14 2jqz s ASP 66 N -0.63 5.62 0.60 2.29 1.11 -1.26 -1.54 116.67 122.87 2jqz s ASP 66 Ca 0.09 -2.92 0.00 0.00 0.18 0.00 0.00 52.55 49.91 2jqz s ASP 66 Cb -0.09 -1.93 0.10 0.00 1.07 0.00 0.00 42.92 42.06 2jqz s ASP 66 CO -0.01 -0.39 0.66 0.18 1.18 0.00 0.00 175.17 176.80 2jqz n LEU 67 N 3.46 0.00 -4.19 1.23 7.99 -0.67 -4.83 117.00 119.99 2jqz n LEU 67 Ca 0.11 -1.45 -0.25 0.00 -0.01 0.00 0.00 56.01 54.41 2jqz n LEU 67 Cb 0.40 -0.43 -0.15 0.00 -0.11 0.00 0.00 43.42 43.13 2jqz n LEU 67 CO 0.34 -0.82 -0.51 -0.31 -1.51 0.00 0.00 177.39 174.58 2jqz s TYR 68 N -1.96 1.65 -0.23 -1.77 2.02 -1.26 -1.27 117.35 114.53 2jqz s TYR 68 Ca 0.44 -0.32 0.01 0.00 -0.37 0.00 0.00 57.07 56.84 2jqz s TYR 68 Cb -0.03 -1.05 0.05 0.00 -0.40 0.00 0.00 41.96 40.54 2jqz s TYR 68 CO 0.29 -0.01 -0.08 0.42 -1.57 0.00 0.00 175.55 174.60 2jqz s ILE 69 N -0.49 1.69 0.00 2.71 -1.09 0.19 -4.85 121.20 119.36 2jqz s ILE 69 Ca 0.07 -1.22 0.00 0.00 -2.23 0.00 0.00 60.65 57.27 2jqz s ILE 69 Cb -0.07 -1.85 0.00 0.00 -1.58 0.00 0.00 42.46 38.95 2jqz s ILE 69 CO -0.00 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 2jqz n GLY 70 N 4.63 -0.77 0.43 6.18 0.00 -1.26 -0.88 105.19 113.51 2jqz n GLY 70 Ca -0.13 -1.67 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.29 -2.16 1.61 1.63 -2.00 -3.18 116.57 112.19 2jqz h LYS 71 Ca 0.00 0.02 -0.59 0.00 -0.85 0.00 0.00 60.65 59.23 2jqz h LYS 71 Cb 0.00 0.07 -0.41 0.00 -0.60 0.00 0.00 32.23 31.28 2jqz h LYS 71 CO 0.00 -0.19 -0.71 0.45 -3.45 0.00 0.00 179.45 175.54 2jqz n SER 72 N -5.25 3.05 -4.58 4.20 2.88 -1.26 -5.00 113.62 107.66 2jqz n SER 72 Ca -0.02 -3.31 -0.23 0.00 -1.33 0.00 0.00 58.87 53.97 2jqz n SER 72 Cb 0.31 -0.65 -0.08 0.00 -0.75 0.00 0.00 64.21 63.04 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 -2.32 4.15 -0.05 -3.46 2.15 -1.20 -5.02 116.67 110.92 2jqz s ASP 73 Ca 0.40 -0.82 -0.10 0.00 0.43 0.00 0.00 52.55 52.45 2jqz s ASP 73 Cb 0.17 -0.61 0.02 0.00 -0.30 0.00 0.00 42.92 42.20 2jqz s ASP 73 CO -0.04 -0.01 0.25 -0.94 -0.17 0.00 0.00 175.17 174.26 2jqz s SER 74 N -3.62 -0.19 0.04 -0.34 1.04 -1.26 -1.99 113.70 107.39 2jqz s SER 74 Ca 0.31 0.24 0.09 0.00 0.48 0.00 0.00 55.95 57.07 2jqz s SER 74 Cb -0.05 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 2jqz s SER 74 CO 0.18 -0.26 -0.25 -0.69 0.98 0.00 0.00 173.24 173.20 2jqz s VAL 75 N -0.62 2.04 -0.15 5.02 1.01 -0.94 -3.92 120.40 122.82 2jqz s VAL 75 Ca -0.07 -1.35 -0.00 0.00 0.00 0.00 0.00 61.98 60.56 2jqz s VAL 75 Cb -0.04 -1.75 0.04 0.00 0.00 0.00 0.00 36.38 34.63 2jqz s VAL 75 CO 0.02 0.33 -0.07 -0.89 0.00 0.00 0.00 175.10 174.49 2jqz s THR 76 N -0.80 1.13 -0.39 3.92 2.01 -1.12 -2.47 115.64 117.92 2jqz s THR 76 Ca 0.11 -0.55 -0.20 0.00 0.31 0.00 0.00 61.69 61.36 2jqz s THR 76 Cb -0.10 -1.25 0.01 0.00 0.01 0.00 0.00 72.50 71.18 2jqz s THR 76 CO 0.02 0.21 0.59 -0.63 -0.69 0.00 0.00 174.62 174.13 2jqz s ILE 77 N 1.64 4.91 -0.15 1.82 1.01 -0.24 -1.98 121.20 128.21 2jqz s ILE 77 Ca 0.02 0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.94 2jqz s ILE 77 Cb -0.14 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 2jqz s ILE 77 CO -0.08 -0.41 -0.09 -0.94 0.00 0.00 0.00 174.94 173.42 2jqz s SER 78 N 1.87 4.31 -0.17 3.58 1.04 0.51 -0.18 113.70 124.65 2jqz s SER 78 Ca 0.21 -0.27 -0.12 0.00 0.48 0.00 0.00 55.95 56.26 2jqz s SER 78 Cb -0.15 -1.68 -0.05 0.00 0.10 0.00 0.00 66.02 64.24 2jqz s SER 78 CO 0.16 0.15 0.22 -0.69 0.98 0.00 0.00 173.24 174.06 2jqz s VAL 79 N 0.47 5.35 0.09 5.02 1.01 -0.50 -0.32 120.40 131.52 2jqz s VAL 79 Ca -0.07 0.39 0.09 0.00 0.00 0.00 0.00 61.98 62.39 2jqz s VAL 79 Cb -0.15 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2jqz s VAL 79 CO 0.04 0.42 -0.20 0.26 0.00 0.00 0.00 175.10 175.61 2jqz s TRP 80 N 0.35 2.48 -0.61 5.22 0.52 -0.48 -2.29 118.94 124.14 2jqz s TRP 80 Ca 0.13 -0.30 -0.22 0.00 0.02 0.00 0.00 56.10 55.73 2jqz s TRP 80 Cb -0.12 -1.36 0.07 0.00 -1.15 0.00 0.00 33.47 30.90 2jqz s TRP 80 CO 0.01 0.32 0.89 1.21 0.02 0.00 0.00 176.95 179.40 2jqz s ASN 81 N -1.86 6.22 0.32 2.95 3.04 0.07 -2.05 114.94 123.62 2jqz s ASN 81 Ca 0.16 -0.88 0.07 0.00 0.04 0.00 0.00 52.86 52.25 2jqz s ASN 81 Cb -0.10 -2.39 0.89 0.00 -1.54 0.00 0.00 41.25 38.11 2jqz s ASN 81 CO 0.07 -1.29 1.61 -0.74 -3.04 0.00 0.00 177.10 173.71 2jqz h HIS 82 N 9.39 0.36 0.03 0.43 -0.00 -1.47 0.30 115.15 124.19 2jqz h HIS 82 Ca -0.28 0.05 0.03 0.00 -0.00 0.00 0.00 60.37 60.17 2jqz h HIS 82 Cb 1.08 -0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.45 2jqz h HIS 82 CO 0.91 -0.35 -0.22 0.87 -0.00 0.00 0.00 177.93 179.15 2jqz h LYS 83 N 0.10 -0.36 0.00 5.26 1.79 -1.92 -2.85 116.57 118.60 2jqz h LYS 83 Ca 0.65 0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 59.01 2jqz h LYS 83 Cb 1.45 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 32.16 2jqz h LYS 83 CO -0.77 -0.24 -0.60 0.87 -1.08 0.00 0.00 179.45 177.63 2jqz h LYS 84 N -0.37 0.00 -0.35 3.15 1.79 -1.13 -2.48 116.57 117.18 2jqz h LYS 84 Ca 0.05 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.61 2jqz h LYS 84 Cb 0.43 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 2jqz h LYS 84 CO -0.18 0.60 0.25 -0.84 -1.08 0.00 0.00 179.45 178.20 2jqz h ILE 85 N 0.00 0.86 0.00 1.86 3.07 -0.33 0.60 117.51 123.58 2jqz h ILE 85 Ca -0.01 -0.03 -0.19 0.00 1.55 0.00 0.00 64.86 66.18 2jqz h ILE 85 Cb 1.43 0.78 -0.03 0.00 -0.27 0.00 0.00 36.82 38.73 2jqz h ILE 85 CO 0.08 0.01 -1.15 0.45 -1.05 0.00 0.00 178.15 176.49 2jqz h HIS 86 N 0.08 0.00 -0.33 0.16 3.86 -1.43 -3.29 115.15 114.20 2jqz h HIS 86 Ca 0.16 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.47 2jqz h HIS 86 Cb 0.55 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 2jqz h HIS 86 CO -0.00 0.77 0.38 -0.22 0.86 0.00 0.00 177.93 179.72 2jqz h LYS 87 N 0.00 0.00 0.00 2.45 1.63 0.67 -3.47 116.57 117.84 2jqz h LYS 87 Ca -0.11 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 59.78 2jqz h LYS 87 Cb 1.69 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.29 2jqz h LYS 87 CO 0.08 0.00 -0.12 1.63 -3.45 0.00 0.00 179.45 177.59 2jqz n LYS 88 N -3.69 -0.68 -3.54 1.90 4.01 -0.89 -4.86 118.16 110.41 2jqz n LYS 88 Ca 0.05 0.45 -0.23 0.00 -0.51 0.00 0.00 58.31 58.07 2jqz n LYS 88 Cb 0.53 -0.83 0.08 0.00 -0.51 0.00 0.00 35.03 34.30 2jqz n LYS 88 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2jqz n GLN 89 N -2.19 -7.58 0.00 1.97 6.02 -1.26 -1.74 117.38 112.59 2jqz n GLN 89 Ca 0.00 0.80 0.00 0.00 -0.01 0.00 0.00 57.00 57.79 2jqz n GLN 89 Cb 0.15 -5.75 0.00 0.00 1.02 0.00 0.00 30.24 25.66 2jqz n GLN 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jqz n GLY 90 N -1.89 3.01 3.78 1.08 0.00 -1.26 -5.00 105.19 104.91 2jqz n GLY 90 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.23 3.50 0.00 4.61 0.00 -0.71 -4.36 121.76 123.57 2jqz s ALA 91 Ca 0.00 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.48 2jqz s ALA 91 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2jqz s ALA 91 CO 0.00 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.14 2jqz n GLY 92 N 0.52 -0.53 3.93 0.00 0.00 -1.19 -3.28 105.19 104.65 2jqz n GLY 92 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.43 3.48 0.21 1.61 5.36 -1.26 -0.75 117.98 126.20 2jqz s PHE 93 Ca 0.00 0.28 0.00 0.00 -0.96 0.00 0.00 56.93 56.25 2jqz s PHE 93 Cb 0.00 -1.81 0.00 0.00 -0.34 0.00 0.00 43.02 40.87 2jqz s PHE 93 CO 0.00 0.38 0.00 1.28 -1.46 0.00 0.00 175.22 175.42 2jqz n LEU 94 N -0.82 -0.06 0.00 6.12 4.77 -0.97 -4.32 117.00 121.72 2jqz n LEU 94 Ca -0.05 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2jqz n LEU 94 Cb 0.54 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 2jqz n LEU 94 CO 0.48 -0.71 0.00 0.61 -1.33 0.00 0.00 177.39 176.44 2jqz n GLY 95 N 1.66 0.64 3.69 -0.72 0.00 -1.06 -4.32 105.19 105.08 2jqz n GLY 95 Ca 0.00 0.55 -0.35 0.00 0.00 0.00 0.00 46.02 46.22 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 0.02 4.38 -0.06 0.00 0.11 0.75 -4.63 120.40 120.97 2jqz s VAL 97 Ca 0.07 -0.17 0.06 0.00 -2.93 0.00 0.00 61.98 59.01 2jqz s VAL 97 Cb -0.12 -2.98 -0.01 0.00 -1.53 0.00 0.00 36.38 31.74 2jqz s VAL 97 CO 0.01 0.43 -0.24 -0.60 -3.33 0.00 0.00 175.10 171.36 2jqz s ARG 98 N 0.75 2.55 -0.03 1.54 3.52 -1.26 -1.07 118.95 124.94 2jqz s ARG 98 Ca 0.02 -0.89 -0.00 0.00 -0.13 0.00 0.00 55.73 54.73 2jqz s ARG 98 Cb -0.14 -2.14 0.03 0.00 -1.56 0.00 0.00 34.95 31.14 2jqz s ARG 98 CO 0.02 0.36 0.02 -0.51 -0.81 0.00 0.00 175.30 174.38 2jqz s LEU 99 N -0.11 0.96 0.00 -0.88 1.43 -1.03 -5.05 118.68 113.99 2jqz s LEU 99 Ca -0.05 0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.03 2jqz s LEU 99 Cb -0.14 -0.17 0.07 0.00 0.03 0.00 0.00 46.19 45.98 2jqz s LEU 99 CO 0.04 -0.14 0.42 0.18 0.23 0.00 0.00 176.35 177.09 2jqz n LEU 100 N 4.38 0.00 -0.08 1.79 4.77 -1.26 -2.22 117.00 124.37 2jqz n LEU 100 Ca -0.23 -0.69 -0.10 0.00 -0.03 0.00 0.00 56.01 54.95 2jqz n LEU 100 Cb 0.50 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 2jqz n LEU 100 CO 0.19 -0.75 0.84 -1.28 -1.33 0.00 0.00 177.39 175.07 2jqz h SER 101 N -0.39 0.38 -0.21 -1.43 0.87 -1.79 0.15 113.55 111.12 2jqz h SER 101 Ca -0.14 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.20 2jqz h SER 101 Cb 0.45 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2jqz h SER 101 CO 0.13 0.48 0.06 0.78 -0.53 0.00 0.00 176.83 177.75 2jqz h ASN 102 N 0.25 0.31 -0.53 6.23 4.21 -1.95 -1.93 115.58 122.16 2jqz h ASN 102 Ca 0.08 -0.21 0.02 0.00 1.21 0.00 0.00 56.30 57.40 2jqz h ASN 102 Cb 0.24 -0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 37.33 2jqz h ASN 102 CO -0.00 0.44 0.33 0.00 -1.29 0.00 0.00 177.43 176.91 2jqz h ALA 103 N 0.88 0.68 -0.72 -0.83 0.00 -1.92 -2.26 119.26 115.09 2jqz h ALA 103 Ca 0.07 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2jqz h ALA 103 Cb 0.25 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2jqz h ALA 103 CO -0.00 0.06 0.47 0.82 0.00 0.00 0.00 179.25 180.60 2jqz h ILE 104 N 0.66 1.02 0.43 0.00 5.03 -0.43 0.06 117.51 124.29 2jqz h ILE 104 Ca 0.21 -0.26 -0.02 0.00 -0.12 0.00 0.00 64.86 64.67 2jqz h ILE 104 Cb -0.01 0.21 0.00 0.00 -3.03 0.00 0.00 36.82 33.99 2jqz h ILE 104 CO -0.08 0.14 -0.21 -1.13 -0.68 0.00 0.00 178.15 176.19 2jqz h ASN 105 N 0.75 -0.49 -0.31 1.72 -1.24 -0.75 0.34 115.58 115.59 2jqz h ASN 105 Ca 0.31 -0.08 0.02 0.00 0.71 0.00 0.00 56.30 57.26 2jqz h ASN 105 Cb 0.26 0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.41 2jqz h ASN 105 CO -0.10 -0.20 0.15 0.03 -1.29 0.00 0.00 177.43 176.02 2jqz h ARG 106 N -0.79 0.31 -0.23 6.67 2.47 -1.26 -2.83 114.38 118.71 2jqz h ARG 106 Ca -0.06 -0.02 -0.16 0.00 -1.26 0.00 0.00 59.98 58.49 2jqz h ARG 106 Cb 0.54 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.79 2jqz h ARG 106 CO 0.10 0.21 -0.49 1.37 0.56 0.00 0.00 179.97 181.71 2jqz h LEU 107 N 0.32 0.69 -1.93 3.04 8.10 -1.02 -2.81 115.31 121.70 2jqz h LEU 107 Ca 0.13 -0.34 0.10 0.00 0.11 0.00 0.00 57.88 57.87 2jqz h LEU 107 Cb 0.04 -0.20 -0.02 0.00 -0.44 0.00 0.00 40.66 40.05 2jqz h LEU 107 CO -0.09 1.06 0.27 0.07 -4.11 0.00 0.00 178.44 175.65 2jqz h LYS 108 N 0.50 0.08 0.00 0.17 2.10 -0.06 -0.21 116.57 119.15 2jqz h LYS 108 Ca 0.02 -0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.49 2jqz h LYS 108 Cb 1.03 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 32.31 2jqz h LYS 108 CO 0.10 0.05 -1.42 -0.44 -2.00 0.00 0.00 179.45 175.74 2jqz h ASP 109 N 0.08 0.00 0.12 7.07 3.32 -1.44 -3.02 116.42 122.55 2jqz h ASP 109 Ca 0.18 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.24 2jqz h ASP 109 Cb 0.61 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 2jqz h ASP 109 CO -0.02 0.63 -0.42 0.71 -1.72 0.00 0.00 179.24 178.43 2jqz h THR 110 N 0.00 0.00 0.00 0.35 1.35 -0.77 -3.47 112.91 110.37 2jqz h THR 110 Ca -0.17 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 2jqz h THR 110 Cb 1.63 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 2jqz h THR 110 CO 0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 2jqz n GLY 111 N -1.39 0.85 3.64 5.82 0.00 -0.94 -4.97 105.19 108.20 2jqz n GLY 111 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.43 -0.06 1.61 2.02 -1.26 -4.11 117.35 113.13 2jqz s TYR 112 Ca 0.00 0.85 -0.02 0.00 -0.37 0.00 0.00 57.07 57.53 2jqz s TYR 112 Cb 0.00 0.26 0.04 0.00 -0.40 0.00 0.00 41.96 41.85 2jqz s TYR 112 CO 0.00 -0.21 0.12 -0.65 -1.57 0.00 0.00 175.55 173.23 2jqz s GLN 113 N 1.29 0.05 -0.48 -0.62 -1.52 0.62 -4.79 119.66 114.21 2jqz s GLN 113 Ca -0.09 0.35 -0.10 0.00 -1.95 0.00 0.00 55.36 53.57 2jqz s GLN 113 Cb -0.03 -0.21 0.12 0.00 -0.22 0.00 0.00 33.01 32.66 2jqz s GLN 113 CO -0.14 -0.18 0.38 1.03 -0.25 0.00 0.00 175.29 176.13 2jqz s ARG 114 N 1.28 2.57 -0.25 2.91 0.52 -1.26 -0.39 118.95 124.32 2jqz s ARG 114 Ca -0.08 -1.76 -0.09 0.00 -0.52 0.00 0.00 55.73 53.28 2jqz s ARG 114 Cb -0.12 -4.00 -0.04 0.00 0.52 0.00 0.00 34.95 31.31 2jqz s ARG 114 CO -0.05 -1.22 0.12 -0.51 0.02 0.00 0.00 175.30 173.66 2jqz s LEU 115 N 1.40 3.81 0.16 2.53 2.01 0.29 -4.90 118.68 123.98 2jqz s LEU 115 Ca 0.05 -0.04 -0.31 0.00 0.01 0.00 0.00 54.13 53.84 2jqz s LEU 115 Cb -0.27 -2.03 -0.08 0.00 0.01 0.00 0.00 46.19 43.82 2jqz s LEU 115 CO -0.00 0.01 1.35 -1.81 1.01 0.00 0.00 176.35 176.91 2jqz s ASP 116 N 1.38 6.86 -0.55 2.29 1.01 -1.26 -0.38 116.67 126.01 2jqz s ASP 116 Ca 0.06 2.37 -0.25 0.00 0.71 0.00 0.00 52.55 55.44 2jqz s ASP 116 Cb -0.15 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.22 2jqz s ASP 116 CO 0.06 -0.59 1.01 -0.76 0.21 0.00 0.00 175.17 175.10 2jqz s LEU 117 N 0.46 3.91 0.35 1.23 1.43 0.19 -4.85 118.68 121.39 2jqz s LEU 117 Ca 0.60 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.57 2jqz s LEU 117 Cb -0.37 -2.97 -0.05 0.00 0.03 0.00 0.00 46.19 42.84 2jqz s LEU 117 CO 0.35 -1.28 0.09 0.00 0.23 0.00 0.00 176.35 175.73 2jqz s LYS 119 N -3.85 1.10 0.34 0.00 0.00 -1.26 -3.82 119.74 112.25 2jqz s LYS 119 Ca 0.32 1.07 0.02 0.00 0.00 0.00 0.00 55.97 57.39 2jqz s LYS 119 Cb 0.06 -1.77 0.61 0.00 0.00 0.00 0.00 37.83 36.73 2jqz s LYS 119 CO 0.15 -2.42 1.96 -0.07 0.00 0.00 0.00 175.35 174.96 2jqz h LEU 120 N -1.69 0.67 -7.54 2.77 -0.00 -1.84 -3.47 115.31 104.21 2jqz h LEU 120 Ca -0.48 -0.05 0.22 0.00 -0.00 0.00 0.00 57.88 57.56 2jqz h LEU 120 Cb 1.28 -0.17 -0.09 0.00 -0.00 0.00 0.00 40.66 41.67 2jqz h LEU 120 CO 0.50 0.56 0.58 -0.83 -0.00 0.00 0.00 178.44 179.25 2jqz s GLY 121 N -3.59 -0.28 0.08 0.83 0.00 -1.26 -5.03 107.32 98.06 2jqz s GLY 121 Ca -0.09 0.29 -0.36 0.00 0.00 0.00 0.00 44.72 44.56 2jqz s GLY 121 CO 0.77 0.04 1.57 -2.55 0.00 0.00 0.00 173.10 172.93 2jqz h PRO 122 N 2.00 -1.06 -1.31 2.90 0.11 -1.95 -2.61 132.00 130.09 2jqz h PRO 122 Ca -0.26 0.07 -0.14 0.00 0.11 0.00 0.00 66.00 65.78 2jqz h PRO 122 Cb 1.22 0.24 -0.07 0.00 0.11 0.00 0.00 31.00 32.50 2jqz h PRO 122 CO 0.26 -0.71 0.18 0.09 -0.21 0.00 0.00 178.00 177.62 2jqz n ASN 123 N -5.59 4.28 -3.10 -2.05 4.13 -1.26 -4.22 115.26 107.44 2jqz n ASN 123 Ca -0.14 -2.53 -0.20 0.00 1.68 0.00 0.00 54.58 53.40 2jqz n ASN 123 Cb 0.48 -0.79 -0.03 0.00 -1.54 0.00 0.00 39.78 37.90 2jqz n ASN 123 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2jqz n ASP 124 N 0.43 1.69 -2.79 6.41 2.03 -0.98 -5.03 116.55 118.31 2jqz n ASP 124 Ca 0.15 -3.15 -0.01 0.00 0.52 0.00 0.00 54.79 52.29 2jqz n ASP 124 Cb 0.68 -0.60 -0.01 0.00 -0.72 0.00 0.00 41.12 40.47 2jqz n ASP 124 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2jqz n ASN 125 N 0.14 -6.05 -3.92 1.67 4.13 -1.26 -4.39 115.26 105.59 2jqz n ASN 125 Ca 0.26 1.23 -0.43 0.00 1.68 0.00 0.00 54.58 57.32 2jqz n ASN 125 Cb 0.61 -4.51 0.01 0.00 -1.54 0.00 0.00 39.78 34.35 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 1.15 6.12 -2.65 6.41 5.75 -1.26 -4.70 116.55 127.36 2jqz n ASP 126 Ca -0.10 -3.33 -0.31 0.00 -0.01 0.00 0.00 54.79 51.05 2jqz n ASP 126 Cb 0.23 -1.33 0.01 0.00 -1.03 0.00 0.00 41.12 39.00 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 1.88 2.83 -4.37 2.12 -2.24 -1.26 -5.02 114.28 108.23 2jqz n THR 127 Ca 0.33 -4.81 -0.26 0.00 -2.27 0.00 0.00 64.05 57.03 2jqz n THR 127 Cb 0.33 -1.27 -0.04 0.00 -2.10 0.00 0.00 70.33 67.25 2jqz n THR 127 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2jqz n VAL 128 N -0.48 0.00 0.00 2.28 0.24 -1.26 -4.91 118.33 114.21 2jqz n VAL 128 Ca 0.43 -2.01 0.00 0.00 -2.04 0.00 0.00 64.34 60.72 2jqz n VAL 128 Cb 0.52 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 2jqz n VAL 128 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2jqz n ARG 129 N -1.27 0.00 -3.05 7.34 0.63 -1.24 -4.94 116.66 114.14 2jqz n ARG 129 Ca -0.13 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.60 2jqz n ARG 129 Cb 0.55 0.00 0.06 0.00 0.45 0.00 0.00 32.46 33.52 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 2.03 3.39 5.14 0.00 -0.89 -4.71 105.19 110.14 2jqz n GLY 130 Ca 0.00 -2.23 -0.17 0.00 0.00 0.00 0.00 46.02 43.62 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 -4.60 1.81 -0.28 1.61 1.11 0.46 0.54 119.66 120.32 2jqz s GLN 131 Ca 0.58 -1.86 -0.18 0.00 0.01 0.00 0.00 55.36 53.91 2jqz s GLN 131 Cb -0.05 0.39 0.08 0.00 -1.01 0.00 0.00 33.01 32.42 2jqz s GLN 131 CO 0.37 -0.71 0.71 -1.50 0.01 0.00 0.00 175.29 174.17 2jqz s ILE 132 N -3.28 0.00 -0.16 1.08 2.07 0.49 -1.06 121.20 120.34 2jqz s ILE 132 Ca 0.35 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.51 2jqz s ILE 132 Cb 0.01 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.56 2jqz s ILE 132 CO 0.23 0.00 0.12 -0.69 -1.91 0.00 0.00 174.94 172.69 2jqz s VAL 133 N 1.32 5.34 0.30 4.00 1.01 0.12 -0.55 120.40 131.94 2jqz s VAL 133 Ca -0.07 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.13 2jqz s VAL 133 Cb -0.05 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 2jqz s VAL 133 CO -0.15 0.52 0.26 1.33 0.00 0.00 0.00 175.10 177.07 2jqz n VAL 134 N 2.85 0.00 -3.71 2.92 0.24 0.47 -0.98 118.33 120.12 2jqz n VAL 134 Ca -0.18 -2.20 -0.16 0.00 -2.04 0.00 0.00 64.34 59.77 2jqz n VAL 134 Cb 0.53 1.11 -0.15 0.00 -1.47 0.00 0.00 33.84 33.85 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 -3.12 0.34 -0.31 -1.34 1.04 0.15 -0.28 113.70 110.18 2jqz s SER 135 Ca 0.36 0.26 -0.08 0.00 0.48 0.00 0.00 55.95 56.97 2jqz s SER 135 Cb 0.02 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.29 2jqz s SER 135 CO 0.26 -0.19 0.12 -0.76 0.98 0.00 0.00 173.24 173.64 2jqz s LEU 136 N 1.66 4.03 -0.06 2.42 2.01 -1.26 -1.10 118.68 126.38 2jqz s LEU 136 Ca -0.03 -0.68 -0.04 0.00 0.01 0.00 0.00 54.13 53.38 2jqz s LEU 136 Cb -0.12 -1.93 0.02 0.00 0.01 0.00 0.00 46.19 44.17 2jqz s LEU 136 CO -0.05 -0.21 0.14 -1.58 1.01 0.00 0.00 176.35 175.66 2jqz s GLN 137 N 1.54 0.14 0.34 1.70 0.74 -1.06 -2.22 119.66 120.84 2jqz s GLN 137 Ca 0.03 0.26 -0.28 0.00 0.05 0.00 0.00 55.36 55.42 2jqz s GLN 137 Cb -0.17 -0.01 -0.09 0.00 1.10 0.00 0.00 33.01 33.83 2jqz s GLN 137 CO 0.04 -0.07 1.20 -1.54 -0.55 0.00 0.00 175.29 174.37 2jqz s SER 138 N 0.47 6.81 0.28 6.67 1.04 -1.23 -2.23 113.70 125.51 2jqz s SER 138 Ca -0.03 2.44 -0.05 0.00 0.48 0.00 0.00 55.95 58.79 2jqz s SER 138 Cb -0.05 -2.63 -0.05 0.00 0.10 0.00 0.00 66.02 63.39 2jqz s SER 138 CO -0.02 -0.48 0.55 -0.13 0.98 0.00 0.00 173.24 174.14 2jqz s ARG 139 N -1.89 3.65 0.00 4.02 1.81 -0.63 -4.86 118.95 121.04 2jqz s ARG 139 Ca 0.51 0.03 0.31 0.00 -1.72 0.00 0.00 55.73 54.86 2jqz s ARG 139 Cb -0.34 -2.64 1.82 0.00 -0.45 0.00 0.00 34.95 33.34 2jqz s ARG 139 CO 0.44 0.22 2.15 -0.40 -0.68 0.00 0.00 175.30 177.03