#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 0.55 0.10 1.61 0.02 -1.26 -4.91 135.00 131.12 2jqz s PRO 11 Ca 0.00 1.08 0.05 0.00 0.02 0.00 0.00 61.00 62.15 2jqz s PRO 11 Cb 0.00 -1.71 -0.04 0.00 0.02 0.00 0.00 34.50 32.77 2jqz s PRO 11 CO 0.00 -2.80 -0.02 0.14 -0.33 0.00 0.00 177.00 173.99 2jqz s VAL 12 N -2.70 3.88 -0.17 3.83 -7.23 -0.19 -4.78 120.40 113.04 2jqz s VAL 12 Ca 0.66 -1.07 -0.18 0.00 -1.81 0.00 0.00 61.98 59.58 2jqz s VAL 12 Cb -0.22 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 33.84 2jqz s VAL 12 CO 0.60 0.10 0.47 -0.75 -0.31 0.00 0.00 175.10 175.21 2jqz s LYS 13 N -2.34 4.24 -0.04 4.82 2.47 -1.26 -0.36 119.74 127.27 2jqz s LYS 13 Ca 0.25 0.37 0.00 0.00 -1.56 0.00 0.00 55.97 55.03 2jqz s LYS 13 Cb -0.11 -3.51 0.02 0.00 -1.46 0.00 0.00 37.83 32.77 2jqz s LYS 13 CO 0.18 -0.00 -0.02 -1.17 0.16 0.00 0.00 175.35 174.49 2jqz s LEU 14 N 1.17 1.16 -0.25 5.43 1.98 -0.63 -3.09 118.68 124.44 2jqz s LEU 14 Ca 0.23 -0.08 -0.06 0.00 -2.89 0.00 0.00 54.13 51.33 2jqz s LEU 14 Cb -0.15 -0.35 -0.01 0.00 0.66 0.00 0.00 46.19 46.33 2jqz s LEU 14 CO 0.09 -0.09 0.04 0.00 -1.89 0.00 0.00 176.35 174.50 2jqz s ARG 15 N 1.10 3.45 -0.38 1.98 1.70 -1.02 -1.48 118.95 124.30 2jqz s ARG 15 Ca -0.08 -0.61 -0.16 0.00 -0.47 0.00 0.00 55.73 54.41 2jqz s ARG 15 Cb -0.14 -3.25 0.01 0.00 -0.57 0.00 0.00 34.95 31.00 2jqz s ARG 15 CO -0.01 -0.25 0.41 -1.17 -1.08 0.00 0.00 175.30 173.20 2jqz s LEU 16 N 1.55 4.66 -0.44 -1.89 0.20 -0.70 -2.76 118.68 119.30 2jqz s LEU 16 Ca 0.05 -0.45 -0.21 0.00 0.69 0.00 0.00 54.13 54.21 2jqz s LEU 16 Cb -0.15 -2.38 0.03 0.00 -0.43 0.00 0.00 46.19 43.25 2jqz s LEU 16 CO 0.01 -0.47 0.66 -0.89 -0.29 0.00 0.00 176.35 175.37 2jqz s THR 17 N 2.10 4.81 -0.98 3.68 2.01 0.05 -2.51 115.64 124.80 2jqz s THR 17 Ca 0.12 0.12 -0.23 0.00 0.31 0.00 0.00 61.69 62.01 2jqz s THR 17 Cb -0.17 -4.22 0.05 0.00 0.01 0.00 0.00 72.50 68.17 2jqz s THR 17 CO 0.13 -0.62 1.42 -0.69 -0.69 0.00 0.00 174.62 174.16 2jqz s VAL 18 N 2.87 3.92 -0.02 3.82 1.01 0.10 -0.87 120.40 131.24 2jqz s VAL 18 Ca 0.23 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.36 2jqz s VAL 18 Cb -0.14 -5.03 -0.11 0.00 0.00 0.00 0.00 36.38 31.09 2jqz s VAL 18 CO 0.19 -1.91 0.83 0.25 0.00 0.00 0.00 175.10 174.46 2jqz h LEU 19 N 12.74 -0.60 -7.91 3.92 5.85 -1.66 0.20 115.31 127.86 2jqz h LEU 19 Ca 0.14 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.97 2jqz h LEU 19 Cb 1.02 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 2jqz h LEU 19 CO 1.40 -0.19 0.33 0.00 -0.34 0.00 0.00 178.44 179.64 2jqz s ALA 21 N -3.34 1.64 0.22 0.00 0.00 -1.16 -0.41 121.76 118.72 2jqz s ALA 21 Ca 0.13 -1.43 0.07 0.00 0.00 0.00 0.00 51.96 50.73 2jqz s ALA 21 Cb -0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 2jqz s ALA 21 CO 0.06 0.07 -0.11 0.15 0.00 0.00 0.00 175.76 175.93 2jqz s LYS 22 N -3.10 1.37 -0.82 0.00 -0.14 -0.19 -3.53 119.74 113.32 2jqz s LYS 22 Ca 0.14 -1.64 -0.02 0.00 -1.36 0.00 0.00 55.97 53.09 2jqz s LYS 22 Cb -0.03 -1.05 0.00 0.00 -1.68 0.00 0.00 37.83 35.07 2jqz s LYS 22 CO 0.04 0.11 0.64 0.09 -0.76 0.00 0.00 175.35 175.47 2jqz n ASN 23 N -0.43 -5.65 -4.61 2.83 5.03 -1.16 -0.77 115.26 110.50 2jqz n ASN 23 Ca -0.07 -0.74 -0.43 0.00 0.87 0.00 0.00 54.58 54.21 2jqz n ASN 23 Cb 0.61 -2.72 -0.02 0.00 -1.02 0.00 0.00 39.78 36.64 2jqz n ASN 23 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2jqz s LEU 24 N -4.82 3.73 -0.24 3.41 2.01 -0.77 -2.89 118.68 119.11 2jqz s LEU 24 Ca 0.03 0.80 -0.32 0.00 0.01 0.00 0.00 54.13 54.65 2jqz s LEU 24 Cb -0.01 -3.54 -0.09 0.00 0.01 0.00 0.00 46.19 42.55 2jqz s LEU 24 CO 0.86 -1.18 2.14 0.55 1.01 0.00 0.00 176.35 179.73 2jqz n VAL 25 N 6.57 0.33 0.12 -1.59 3.14 -1.04 -4.74 118.33 121.12 2jqz n VAL 25 Ca 0.13 -0.31 0.01 0.00 -2.96 0.00 0.00 64.34 61.22 2jqz n VAL 25 Cb 0.48 -2.05 0.07 0.00 -1.06 0.00 0.00 33.84 31.28 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 8.10 0.02 0.00 1.45 2.85 -1.26 -4.59 118.16 124.73 2jqz n LYS 26 Ca 0.33 0.35 0.00 0.00 -1.05 0.00 0.00 58.31 57.94 2jqz n LYS 26 Cb 0.33 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 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 -4.15 -1.58 4.76 -1.26 -4.19 118.16 110.36 2jqz n LYS 27 Ca 0.01 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.10 2jqz n LYS 27 Cb 0.03 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.14 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 -3.30 5.75 0.00 4.39 1.11 -1.26 -5.05 116.67 118.31 2jqz s ASP 28 Ca 0.00 0.27 -0.00 0.00 0.18 0.00 0.00 52.55 53.00 2jqz s ASP 28 Cb 0.00 -1.73 -0.00 0.00 1.07 0.00 0.00 42.92 42.26 2jqz s ASP 28 CO 0.00 0.38 1.00 -0.26 1.18 0.00 0.00 175.17 177.47 2jqz h PHE 29 N 4.95 -0.01 0.00 4.23 0.04 -2.03 -1.29 116.94 122.84 2jqz h PHE 29 Ca -0.52 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.25 2jqz h PHE 29 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.36 2jqz h PHE 29 CO 0.68 -0.00 0.00 1.19 -0.60 0.00 0.00 178.31 179.58 2jqz n PHE 30 N -2.50 0.00 -4.52 -0.55 3.72 -1.26 -4.73 117.46 107.62 2jqz n PHE 30 Ca -0.00 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.15 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 -2.00 1.78 0.02 -1.08 0.52 -0.49 -5.16 118.95 112.54 2jqz s ARG 31 Ca 0.01 -1.98 0.01 0.00 -0.52 0.00 0.00 55.73 53.25 2jqz s ARG 31 Cb 0.01 -1.28 -0.01 0.00 0.52 0.00 0.00 34.95 34.18 2jqz s ARG 31 CO 0.01 -0.08 -0.04 -0.51 0.02 0.00 0.00 175.30 174.70 2jqz s LEU 32 N -3.58 2.15 0.43 2.53 2.01 -1.26 -4.54 118.68 116.42 2jqz s LEU 32 Ca 0.35 -0.33 -0.03 0.00 0.01 0.00 0.00 54.13 54.13 2jqz s LEU 32 Cb 0.08 -0.05 -0.03 0.00 0.01 0.00 0.00 46.19 46.20 2jqz s LEU 32 CO 0.16 -0.14 0.70 -2.16 1.01 0.00 0.00 176.35 175.91 2jqz s PRO 33 N -0.92 3.51 -0.65 1.29 0.04 -1.26 -4.72 135.00 132.28 2jqz s PRO 33 Ca -0.08 -0.01 0.05 0.00 0.04 0.00 0.00 61.00 61.00 2jqz s PRO 33 Cb -0.06 -2.49 0.18 0.00 0.04 0.00 0.00 34.50 32.17 2jqz s PRO 33 CO -0.00 -0.08 0.51 -0.25 0.04 0.00 0.00 177.00 177.22 2jqz n ASP 34 N -2.08 2.57 -4.76 6.66 9.92 -1.26 -2.55 116.55 125.05 2jqz n ASP 34 Ca -0.01 -3.12 -0.39 0.00 -0.53 0.00 0.00 54.79 50.74 2jqz n ASP 34 Cb 0.56 -0.72 0.03 0.00 -0.64 0.00 0.00 41.12 40.35 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 -1.40 3.43 0.22 -0.24 0.04 -1.25 -0.99 135.00 134.82 2jqz s PRO 35 Ca 0.28 2.35 -0.13 0.00 0.04 0.00 0.00 61.00 63.54 2jqz s PRO 35 Cb 0.00 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 32.07 2jqz s PRO 35 CO -0.15 -1.00 0.46 -0.59 0.04 0.00 0.00 177.00 175.75 2jqz s PHE 36 N -1.24 0.27 0.20 0.56 -0.12 -0.49 -1.35 117.98 115.81 2jqz s PHE 36 Ca 0.66 -0.63 0.10 0.00 -0.05 0.00 0.00 56.93 57.01 2jqz s PHE 36 Cb -0.42 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.11 2jqz s PHE 36 CO 0.53 -0.93 -0.20 0.00 -0.05 0.00 0.00 175.22 174.56 2jqz s ALA 37 N -3.98 2.34 -0.11 1.99 0.00 -1.14 -1.42 121.76 119.45 2jqz s ALA 37 Ca 0.19 -1.63 -0.03 0.00 0.00 0.00 0.00 51.96 50.48 2jqz s ALA 37 Cb -0.00 -0.24 0.05 0.00 0.00 0.00 0.00 23.12 22.93 2jqz s ALA 37 CO 0.05 0.30 0.15 0.21 0.00 0.00 0.00 175.76 176.47 2jqz s LYS 38 N -2.96 0.05 0.13 0.00 2.20 0.37 -0.24 119.74 119.29 2jqz s LYS 38 Ca 0.21 0.42 -0.22 0.00 -0.36 0.00 0.00 55.97 56.02 2jqz s LYS 38 Cb -0.06 -0.61 -0.07 0.00 -1.51 0.00 0.00 37.83 35.57 2jqz s LYS 38 CO 0.09 -0.40 0.67 0.08 -0.36 0.00 0.00 175.35 175.44 2jqz s VAL 39 N 2.27 4.56 -0.03 4.02 1.01 0.89 -1.54 120.40 131.59 2jqz s VAL 39 Ca 0.04 1.43 0.01 0.00 0.00 0.00 0.00 61.98 63.46 2jqz s VAL 39 Cb -0.13 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.27 2jqz s VAL 39 CO -0.07 0.50 -0.04 0.68 0.00 0.00 0.00 175.10 176.17 2jqz s VAL 40 N -1.18 0.43 -0.65 2.92 -7.23 -1.01 -2.04 120.40 111.64 2jqz s VAL 40 Ca 0.34 -0.13 -0.16 0.00 -1.81 0.00 0.00 61.98 60.22 2jqz s VAL 40 Cb -0.21 -0.44 0.16 0.00 0.56 0.00 0.00 36.38 36.46 2jqz s VAL 40 CO 0.22 0.17 0.62 -0.69 -0.31 0.00 0.00 175.10 175.11 2jqz s VAL 41 N 0.51 5.31 -0.57 1.32 1.01 -1.18 -2.61 120.40 124.19 2jqz s VAL 41 Ca -0.06 -1.79 -0.09 0.00 0.00 0.00 0.00 61.98 60.04 2jqz s VAL 41 Cb -0.10 -4.40 -0.17 0.00 0.00 0.00 0.00 36.38 31.71 2jqz s VAL 41 CO -0.00 -0.96 1.30 -0.67 0.00 0.00 0.00 175.10 174.77 2jqz n ASP 42 N 4.93 -0.56 0.00 3.32 -0.08 -1.17 0.11 116.55 123.10 2jqz n ASP 42 Ca -0.03 -0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.05 2jqz n ASP 42 Cb 0.43 -0.36 0.00 0.00 2.34 0.00 0.00 41.12 43.53 2jqz n ASP 42 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jqz n GLY 43 N 3.27 -0.71 7.00 0.27 0.00 -1.26 -4.79 105.19 108.97 2jqz n GLY 43 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.64 0.00 1.61 7.64 0.12 -4.89 113.62 114.46 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 2.49 3.10 0.23 0.00 -1.26 -4.78 105.19 104.97 2jqz n GLY 45 Ca 0.00 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 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 2.47 0.01 1.61 -0.21 -1.26 -5.11 119.66 117.17 2jqz s GLN 46 Ca 0.00 -1.20 0.06 0.00 0.02 0.00 0.00 55.36 54.24 2jqz s GLN 46 Cb 0.00 -2.86 -0.02 0.00 1.00 0.00 0.00 33.01 31.13 2jqz s GLN 46 CO 0.00 -0.48 -0.20 0.00 -2.12 0.00 0.00 175.29 172.49 2jqz s HIS 48 N -0.61 1.54 -0.14 0.00 3.76 -0.87 -4.94 115.29 114.03 2jqz s HIS 48 Ca 0.07 -1.07 -0.24 0.00 -0.15 0.00 0.00 55.06 53.68 2jqz s HIS 48 Cb -0.08 -0.91 0.06 0.00 1.11 0.00 0.00 32.58 32.76 2jqz s HIS 48 CO 0.00 -0.21 0.59 -1.54 -0.85 0.00 0.00 174.74 172.74 2jqz s SER 49 N -3.31 -0.59 0.05 1.40 1.04 -1.26 -0.07 113.70 110.96 2jqz s SER 49 Ca 0.33 0.92 0.01 0.00 0.48 0.00 0.00 55.95 57.69 2jqz s SER 49 Cb 0.07 0.90 -0.04 0.00 0.10 0.00 0.00 66.02 67.05 2jqz s SER 49 CO 0.11 -0.37 0.11 0.42 0.98 0.00 0.00 173.24 174.49 2jqz s THR 50 N -0.38 4.78 0.99 2.02 -4.23 0.66 -4.93 115.64 114.55 2jqz s THR 50 Ca -0.05 -0.58 -0.15 0.00 -1.18 0.00 0.00 61.69 59.73 2jqz s THR 50 Cb -0.03 -3.27 -0.00 0.00 1.34 0.00 0.00 72.50 70.53 2jqz s THR 50 CO 0.04 0.20 -0.01 -0.90 -0.54 0.00 0.00 174.62 173.41 2jqz n ASP 51 N 0.64 -2.97 -4.68 3.99 5.75 -1.26 -2.86 116.55 115.15 2jqz n ASP 51 Ca -0.09 0.20 -0.35 0.00 -0.01 0.00 0.00 54.79 54.54 2jqz n ASP 51 Cb 0.52 -1.04 -0.09 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 -2.27 4.73 0.23 2.12 2.01 -1.26 -4.33 115.64 116.86 2jqz s THR 52 Ca 0.52 -0.07 -0.06 0.00 0.31 0.00 0.00 61.69 62.39 2jqz s THR 52 Cb -0.17 -3.08 -0.06 0.00 0.01 0.00 0.00 72.50 69.21 2jqz s THR 52 CO 0.70 0.53 0.49 0.68 -0.69 0.00 0.00 174.62 176.33 2jqz s VAL 53 N -0.23 5.05 -0.09 3.82 -7.23 -0.46 -5.00 120.40 116.27 2jqz s VAL 53 Ca 0.08 0.12 -0.10 0.00 -1.81 0.00 0.00 61.98 60.27 2jqz s VAL 53 Cb -0.12 -3.67 -0.05 0.00 0.56 0.00 0.00 36.38 33.10 2jqz s VAL 53 CO 0.02 -0.15 0.23 -0.54 -0.31 0.00 0.00 175.10 174.35 2jqz s LYS 54 N -3.10 3.67 0.00 4.82 3.01 -1.26 -3.76 119.74 123.11 2jqz s LYS 54 Ca 0.44 0.05 0.00 0.00 -1.01 0.00 0.00 55.97 55.45 2jqz s LYS 54 Cb -0.11 -3.22 0.00 0.00 -1.01 0.00 0.00 37.83 33.49 2jqz s LYS 54 CO 0.26 0.70 0.00 0.27 0.51 0.00 0.00 175.35 177.09 2jqz n ASN 55 N 2.08 0.00 -3.74 2.83 6.94 -1.13 -4.95 115.26 117.30 2jqz n ASN 55 Ca -0.17 0.00 -0.11 0.00 -0.02 0.00 0.00 54.58 54.27 2jqz n ASN 55 Cb 0.54 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.89 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 -0.95 5.53 -1.32 -1.06 -4.95 115.64 112.98 2jqz s THR 56 Ca 0.00 -0.69 0.10 0.00 -1.21 0.00 0.00 61.69 59.89 2jqz s THR 56 Cb 0.00 -1.01 0.27 0.00 -1.51 0.00 0.00 72.50 70.25 2jqz s THR 56 CO 0.00 -0.38 1.20 0.18 -2.21 0.00 0.00 174.62 173.40 2jqz n LEU 57 N 0.40 2.77 -2.94 9.08 4.77 -1.26 -4.52 117.00 125.29 2jqz n LEU 57 Ca -0.18 -1.88 -0.02 0.00 -0.03 0.00 0.00 56.01 53.91 2jqz n LEU 57 Cb 0.60 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2jqz n LEU 57 CO 0.21 0.68 0.13 1.51 -1.33 0.00 0.00 177.39 178.58 2jqz s ASP 58 N -0.99 -1.42 0.94 -1.43 -4.77 -1.26 -1.84 116.67 105.90 2jqz s ASP 58 Ca 0.21 -1.26 -0.04 0.00 -3.30 0.00 0.00 52.55 48.16 2jqz s ASP 58 Cb 0.11 1.85 0.06 0.00 -1.09 0.00 0.00 42.92 43.85 2jqz s ASP 58 CO 0.15 -0.10 0.36 -0.81 0.70 0.00 0.00 175.17 175.48 2jqz n PRO 59 N 3.56 -0.28 -3.60 2.11 -0.04 -1.23 -4.91 135.00 130.61 2jqz n PRO 59 Ca 0.15 -0.60 -0.12 0.00 -0.04 0.00 0.00 63.50 62.89 2jqz n PRO 59 Cb 0.57 -0.36 -0.06 0.00 -0.04 0.00 0.00 33.50 33.60 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 -3.75 0.69 0.00 0.54 0.00 -1.26 -2.96 119.74 113.00 2jqz s LYS 60 Ca 0.21 0.50 0.00 0.00 0.00 0.00 0.00 55.97 56.68 2jqz s LYS 60 Cb -0.01 0.33 0.00 0.00 0.00 0.00 0.00 37.83 38.15 2jqz s LYS 60 CO 0.15 -0.15 0.00 0.91 0.00 0.00 0.00 175.35 176.26 2jqz n TRP 61 N 1.69 0.00 -3.82 1.78 8.01 -1.02 -4.94 117.44 119.14 2jqz n TRP 61 Ca -0.13 0.00 -0.28 0.00 -1.31 0.00 0.00 57.50 55.77 2jqz n TRP 61 Cb 0.56 0.07 0.04 0.00 -2.01 0.00 0.00 31.31 29.97 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 -2.04 -5.19 -4.28 -0.99 5.15 0.67 -4.98 115.26 103.60 2jqz n ASN 62 Ca 0.00 -0.71 -0.29 0.00 -0.60 0.00 0.00 54.58 52.97 2jqz n ASN 62 Cb 0.18 -4.22 -0.16 0.00 -0.53 0.00 0.00 39.78 35.06 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 -6.52 1.90 0.03 1.20 -0.21 -1.05 -4.92 119.66 110.08 2jqz s GLN 63 Ca 0.63 -0.90 0.08 0.00 0.02 0.00 0.00 55.36 55.19 2jqz s GLN 63 Cb -0.31 -1.87 -0.02 0.00 1.00 0.00 0.00 33.01 31.81 2jqz s GLN 63 CO 0.80 0.51 -0.23 -3.38 -2.12 0.00 0.00 175.29 170.87 2jqz s HIS 64 N -0.61 2.04 -0.04 0.91 -3.43 -1.26 0.00 115.29 112.91 2jqz s HIS 64 Ca 0.09 -0.39 0.06 0.00 -0.80 0.00 0.00 55.06 54.02 2jqz s HIS 64 Cb -0.09 -1.25 -0.01 0.00 -1.43 0.00 0.00 32.58 29.80 2jqz s HIS 64 CO -0.00 0.06 -0.22 0.71 -2.00 0.00 0.00 174.74 173.29 2jqz s TYR 65 N -0.72 2.05 -0.46 0.38 2.02 -1.04 -4.92 117.35 114.66 2jqz s TYR 65 Ca 0.09 -0.52 -0.11 0.00 -0.37 0.00 0.00 57.07 56.17 2jqz s TYR 65 Cb -0.09 -1.35 0.10 0.00 -0.40 0.00 0.00 41.96 40.22 2jqz s TYR 65 CO 0.01 -0.13 0.34 0.16 -1.57 0.00 0.00 175.55 174.36 2jqz s ASP 66 N -0.26 5.79 0.22 2.29 -4.77 -1.26 -1.72 116.67 116.97 2jqz s ASP 66 Ca 0.01 -1.69 0.05 0.00 -3.30 0.00 0.00 52.55 47.62 2jqz s ASP 66 Cb -0.11 -2.04 -0.03 0.00 -1.09 0.00 0.00 42.92 39.64 2jqz s ASP 66 CO 0.01 -0.65 0.30 -0.76 0.70 0.00 0.00 175.17 174.77 2jqz s LEU 67 N 1.44 4.19 0.18 2.11 2.01 -0.55 -4.81 118.68 123.26 2jqz s LEU 67 Ca 0.04 0.01 -0.09 0.00 0.01 0.00 0.00 54.13 54.10 2jqz s LEU 67 Cb -0.25 -2.73 -0.07 0.00 0.01 0.00 0.00 46.19 43.15 2jqz s LEU 67 CO 0.01 -0.04 0.48 -0.31 1.01 0.00 0.00 176.35 177.51 2jqz s TYR 68 N -1.96 3.47 -0.21 0.29 2.02 -1.26 -1.61 117.35 118.09 2jqz s TYR 68 Ca 0.34 0.79 -0.00 0.00 -0.37 0.00 0.00 57.07 57.82 2jqz s TYR 68 Cb -0.09 -2.18 0.05 0.00 -0.40 0.00 0.00 41.96 39.34 2jqz s TYR 68 CO 0.28 0.35 -0.04 0.42 -1.57 0.00 0.00 175.55 174.99 2jqz s ILE 69 N -1.71 1.25 0.00 2.71 -1.09 0.51 -4.86 121.20 118.02 2jqz s ILE 69 Ca 0.43 -0.95 0.00 0.00 -2.23 0.00 0.00 60.65 57.90 2jqz s ILE 69 Cb -0.12 -1.53 0.00 0.00 -1.58 0.00 0.00 42.46 39.23 2jqz s ILE 69 CO 0.22 -0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.48 2jqz n GLY 70 N 4.79 -1.38 0.37 6.18 0.00 -1.26 -1.02 105.19 112.87 2jqz n GLY 70 Ca -0.12 -1.57 0.01 0.00 0.00 0.00 0.00 46.02 44.35 2jqz n GLY 70 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jqz h LYS 71 N 0.00 1.20 -2.09 1.61 -0.00 -2.00 -3.24 116.57 112.05 2jqz h LYS 71 Ca 0.00 -0.07 -0.55 0.00 -0.00 0.00 0.00 60.65 60.03 2jqz h LYS 71 Cb 0.00 -0.27 -0.40 0.00 -0.00 0.00 0.00 32.23 31.56 2jqz h LYS 71 CO 0.00 0.79 -0.95 -1.13 -0.00 0.00 0.00 179.45 178.16 2jqz n SER 72 N -4.46 1.87 -4.47 7.07 3.41 -1.26 -5.05 113.62 110.73 2jqz n SER 72 Ca 0.14 -3.12 -0.24 0.00 -0.26 0.00 0.00 58.87 55.40 2jqz n SER 72 Cb 0.13 -0.63 -0.10 0.00 -0.26 0.00 0.00 64.21 63.35 2jqz n SER 72 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jqz s ASP 73 N -2.24 3.46 -0.06 4.04 2.15 -1.23 -5.05 116.67 117.75 2jqz s ASP 73 Ca 0.40 -1.07 -0.13 0.00 0.43 0.00 0.00 52.55 52.18 2jqz s ASP 73 Cb 0.24 -0.28 0.02 0.00 -0.30 0.00 0.00 42.92 42.60 2jqz s ASP 73 CO -0.09 -0.05 0.30 -0.94 -0.17 0.00 0.00 175.17 174.22 2jqz s SER 74 N -3.50 -0.23 -0.05 -0.34 1.04 -1.26 -2.43 113.70 106.92 2jqz s SER 74 Ca 0.30 0.29 0.06 0.00 0.48 0.00 0.00 55.95 57.08 2jqz s SER 74 Cb -0.03 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 2jqz s SER 74 CO 0.14 -0.30 -0.22 -0.69 0.98 0.00 0.00 173.24 173.15 2jqz s VAL 75 N -0.70 2.32 -0.16 5.02 1.01 -0.66 -3.05 120.40 124.18 2jqz s VAL 75 Ca -0.08 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 60.91 2jqz s VAL 75 Cb -0.04 -1.85 0.04 0.00 0.00 0.00 0.00 36.38 34.53 2jqz s VAL 75 CO 0.02 0.58 -0.06 -0.89 0.00 0.00 0.00 175.10 174.75 2jqz s THR 76 N -0.41 1.14 -0.24 3.92 2.01 -1.07 -1.68 115.64 119.31 2jqz s THR 76 Ca 0.04 -0.60 -0.19 0.00 0.31 0.00 0.00 61.69 61.25 2jqz s THR 76 Cb -0.12 -1.28 -0.02 0.00 0.01 0.00 0.00 72.50 71.09 2jqz s THR 76 CO 0.01 0.17 0.56 -0.63 -0.69 0.00 0.00 174.62 174.05 2jqz s ILE 77 N 1.63 5.04 0.27 1.82 1.01 0.21 -2.40 121.20 128.78 2jqz s ILE 77 Ca 0.01 1.00 0.09 0.00 0.00 0.00 0.00 60.65 61.76 2jqz s ILE 77 Cb -0.15 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 2jqz s ILE 77 CO -0.08 0.08 0.03 -0.94 0.00 0.00 0.00 174.94 174.04 2jqz s SER 78 N 1.42 4.69 -0.02 3.58 1.04 -0.59 -0.13 113.70 123.70 2jqz s SER 78 Ca 0.24 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 56.10 2jqz s SER 78 Cb -0.16 -0.92 -0.00 0.00 0.10 0.00 0.00 66.02 65.04 2jqz s SER 78 CO 0.09 -0.02 -0.09 -0.69 0.98 0.00 0.00 173.24 173.51 2jqz s VAL 79 N -2.30 0.77 0.09 5.02 1.01 -0.44 -0.48 120.40 124.06 2jqz s VAL 79 Ca 0.32 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.98 2jqz s VAL 79 Cb -0.06 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 2jqz s VAL 79 CO 0.21 0.23 -0.14 0.26 0.00 0.00 0.00 175.10 175.67 2jqz s TRP 80 N 0.06 1.25 -0.75 5.22 0.52 -0.51 -1.37 118.94 123.36 2jqz s TRP 80 Ca -0.01 -0.52 -0.19 0.00 0.02 0.00 0.00 56.10 55.40 2jqz s TRP 80 Cb -0.07 -0.69 0.12 0.00 -1.15 0.00 0.00 33.47 31.69 2jqz s TRP 80 CO 0.00 0.08 0.90 -0.80 0.02 0.00 0.00 176.95 177.15 2jqz s ASN 81 N -2.07 6.41 0.45 2.95 0.02 0.14 -1.40 114.94 121.45 2jqz s ASN 81 Ca 0.03 -1.73 0.31 0.00 -1.02 0.00 0.00 52.86 50.45 2jqz s ASN 81 Cb -0.07 -2.34 1.44 0.00 0.02 0.00 0.00 41.25 40.29 2jqz s ASN 81 CO 0.02 -1.09 1.63 -0.74 0.02 0.00 0.00 177.10 176.95 2jqz h HIS 82 N 8.95 0.46 0.02 2.20 -0.00 -1.31 0.55 115.15 126.02 2jqz h HIS 82 Ca -0.09 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.30 2jqz h HIS 82 Cb 1.06 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.35 2jqz h HIS 82 CO 1.00 -0.17 -0.01 -0.22 -0.00 0.00 0.00 177.93 178.53 2jqz h LYS 83 N 0.09 -0.03 0.00 5.26 1.63 -1.91 -2.85 116.57 118.76 2jqz h LYS 83 Ca 0.81 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 60.49 2jqz h LYS 83 Cb 2.61 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 34.23 2jqz h LYS 83 CO -0.36 0.14 -0.58 0.87 -3.45 0.00 0.00 179.45 176.07 2jqz h LYS 84 N -0.19 0.00 -0.13 1.90 1.79 -0.39 -2.73 116.57 116.83 2jqz h LYS 84 Ca -0.00 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.50 2jqz h LYS 84 Cb 0.18 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 2jqz h LYS 84 CO 0.00 0.58 0.09 -0.84 -1.08 0.00 0.00 179.45 178.21 2jqz h ILE 85 N 0.00 0.89 0.02 1.86 3.07 -0.53 0.81 117.51 123.62 2jqz h ILE 85 Ca -0.01 0.00 -0.20 0.00 1.55 0.00 0.00 64.86 66.20 2jqz h ILE 85 Cb 1.43 0.93 -0.02 0.00 -0.27 0.00 0.00 36.82 38.89 2jqz h ILE 85 CO 0.07 0.00 -0.93 -0.74 -1.05 0.00 0.00 178.15 175.51 2jqz h HIS 86 N 0.00 0.18 0.00 0.16 2.76 -1.35 -3.14 115.15 113.76 2jqz h HIS 86 Ca 0.06 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 2jqz h HIS 86 Cb 0.25 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.19 2jqz h HIS 86 CO 0.00 0.97 0.11 1.63 -1.30 0.00 0.00 177.93 179.35 2jqz n LYS 87 N -3.56 0.00 -0.93 5.26 4.76 0.28 -4.93 118.16 119.04 2jqz n LYS 87 Ca -0.03 0.35 0.12 0.00 -2.87 0.00 0.00 58.31 55.89 2jqz n LYS 87 Cb 0.85 -1.61 -0.04 0.00 -1.84 0.00 0.00 35.03 32.39 2jqz n LYS 87 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2jqz n LYS 88 N -1.35 -1.98 0.00 1.97 4.76 -1.09 -4.85 118.16 115.62 2jqz n LYS 88 Ca 0.00 1.43 0.00 0.00 -2.87 0.00 0.00 58.31 56.87 2jqz n LYS 88 Cb 0.11 -2.38 0.00 0.00 -1.84 0.00 0.00 35.03 30.92 2jqz n LYS 88 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2jqz n GLN 89 N -3.50 0.00 0.24 1.97 6.02 -1.26 -2.67 117.38 118.18 2jqz n GLN 89 Ca -0.02 0.00 0.18 0.00 -0.01 0.00 0.00 57.00 57.15 2jqz n GLN 89 Cb 0.43 0.00 0.87 0.00 1.02 0.00 0.00 30.24 32.56 2jqz n GLN 89 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2jqz h GLY 90 N 0.00 0.00 -5.36 1.08 0.00 -1.95 -3.42 103.07 93.42 2jqz h GLY 90 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 2jqz h GLY 90 CO 0.00 0.00 1.09 0.00 0.00 0.00 0.00 176.54 177.63 2jqz n ALA 91 N -2.18 1.45 0.00 3.60 0.00 -1.09 -3.53 120.51 118.77 2jqz n ALA 91 Ca 0.01 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2jqz n ALA 91 Cb 0.36 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.26 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 4.26 0.91 3.82 0.00 0.00 -1.20 -3.18 105.19 109.79 2jqz n GLY 92 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.27 3.73 0.00 1.61 5.36 -1.23 0.29 117.98 127.47 2jqz s PHE 93 Ca 0.00 1.05 0.00 0.00 -0.96 0.00 0.00 56.93 57.02 2jqz s PHE 93 Cb 0.00 -2.36 0.00 0.00 -0.34 0.00 0.00 43.02 40.32 2jqz s PHE 93 CO 0.00 0.60 0.00 1.28 -1.46 0.00 0.00 175.22 175.64 2jqz n LEU 94 N 1.93 0.00 -3.80 6.12 4.77 -0.47 -4.62 117.00 120.93 2jqz n LEU 94 Ca -0.13 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.64 2jqz n LEU 94 Cb 0.52 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.44 2jqz n LEU 94 CO 0.39 0.00 -0.38 -0.83 -1.33 0.00 0.00 177.39 175.23 2jqz s GLY 95 N -0.19 0.42 -0.25 -0.72 0.00 -1.03 -4.28 107.32 101.26 2jqz s GLY 95 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 44.72 44.57 2jqz s GLY 95 CO 0.00 0.92 0.14 0.00 0.00 0.00 0.00 173.10 174.16 2jqz s VAL 97 N 1.38 4.51 -0.10 0.00 0.11 0.82 -4.67 120.40 122.45 2jqz s VAL 97 Ca 0.06 -0.12 0.03 0.00 -2.93 0.00 0.00 61.98 59.02 2jqz s VAL 97 Cb -0.15 -3.07 -0.01 0.00 -1.53 0.00 0.00 36.38 31.62 2jqz s VAL 97 CO 0.06 0.39 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.90 2jqz s ARG 98 N 1.03 3.03 -0.07 1.54 0.52 -1.26 -0.62 118.95 123.12 2jqz s ARG 98 Ca 0.04 -0.80 0.03 0.00 -0.52 0.00 0.00 55.73 54.48 2jqz s ARG 98 Cb -0.14 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 32.94 2jqz s ARG 98 CO 0.03 0.26 -0.18 -0.51 0.02 0.00 0.00 175.30 174.93 2jqz s LEU 99 N 0.16 1.87 0.00 2.53 2.01 -0.67 -5.01 118.68 119.57 2jqz s LEU 99 Ca -0.11 -0.40 -0.01 0.00 0.01 0.00 0.00 54.13 53.63 2jqz s LEU 99 Cb -0.16 -1.06 0.03 0.00 0.01 0.00 0.00 46.19 45.02 2jqz s LEU 99 CO 0.06 0.11 0.22 0.18 1.01 0.00 0.00 176.35 177.93 2jqz n LEU 100 N 3.50 0.00 -0.09 1.79 4.77 -1.26 -1.66 117.00 124.05 2jqz n LEU 100 Ca -0.20 -0.40 -0.10 0.00 -0.03 0.00 0.00 56.01 55.27 2jqz n LEU 100 Cb 0.52 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 2jqz n LEU 100 CO 0.26 -0.62 0.89 0.77 -1.33 0.00 0.00 177.39 177.37 2jqz h SER 101 N -0.17 0.38 -0.26 -1.43 4.64 -1.87 0.18 113.55 115.02 2jqz h SER 101 Ca -0.07 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.06 2jqz h SER 101 Cb 0.25 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 2jqz h SER 101 CO 0.07 0.42 0.01 0.78 -0.87 0.00 0.00 176.83 177.25 2jqz h ASN 102 N 0.30 0.44 -0.78 4.97 4.21 -1.95 -2.38 115.58 120.39 2jqz h ASN 102 Ca 0.09 -0.29 -0.01 0.00 1.21 0.00 0.00 56.30 57.30 2jqz h ASN 102 Cb 0.16 -0.12 -0.04 0.00 -1.12 0.00 0.00 38.32 37.20 2jqz h ASN 102 CO -0.01 0.62 0.45 0.00 -1.29 0.00 0.00 177.43 177.20 2jqz h ALA 103 N 0.83 1.00 -0.58 -0.83 0.00 -1.91 -2.21 119.26 115.55 2jqz h ALA 103 Ca 0.08 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2jqz h ALA 103 Cb 0.39 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2jqz h ALA 103 CO 0.01 0.49 0.39 0.82 0.00 0.00 0.00 179.25 180.95 2jqz h ILE 104 N 1.07 1.12 0.36 0.00 5.03 -0.44 0.21 117.51 124.87 2jqz h ILE 104 Ca 0.28 -0.26 -0.02 0.00 -0.12 0.00 0.00 64.86 64.74 2jqz h ILE 104 Cb -0.00 0.31 0.00 0.00 -3.03 0.00 0.00 36.82 34.10 2jqz h ILE 104 CO -0.05 0.14 -0.18 -1.13 -0.68 0.00 0.00 178.15 176.25 2jqz h ASN 105 N 0.75 -0.41 -0.34 1.72 -0.73 -0.89 0.32 115.58 116.00 2jqz h ASN 105 Ca 0.22 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.24 2jqz h ASN 105 Cb -0.03 0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.65 2jqz h ASN 105 CO -0.05 -0.02 0.22 0.03 -0.37 0.00 0.00 177.43 177.24 2jqz h ARG 106 N -0.89 0.46 -0.37 6.67 3.08 -1.28 -2.85 114.38 119.21 2jqz h ARG 106 Ca -0.05 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 2jqz h ARG 106 Cb 0.54 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2jqz h ARG 106 CO 0.08 0.32 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.15 2jqz h LEU 107 N 0.45 0.71 -1.99 3.04 3.38 -0.66 -2.28 115.31 117.97 2jqz h LEU 107 Ca 0.12 -0.36 0.22 0.00 0.09 0.00 0.00 57.88 57.95 2jqz h LEU 107 Cb -0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2jqz h LEU 107 CO -0.03 0.91 0.57 0.07 0.09 0.00 0.00 178.44 180.06 2jqz h LYS 108 N 0.50 0.00 0.00 1.13 2.10 -0.12 0.31 116.57 120.50 2jqz h LYS 108 Ca 0.09 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.61 2jqz h LYS 108 Cb 0.60 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.90 2jqz h LYS 108 CO 0.04 0.00 -1.49 -0.25 -2.00 0.00 0.00 179.45 175.74 2jqz n ASP 109 N -4.20 0.67 0.28 7.07 8.00 -1.09 -2.99 116.55 124.29 2jqz n ASP 109 Ca 0.15 0.28 -0.13 0.00 0.71 0.00 0.00 54.79 55.81 2jqz n ASP 109 Cb 0.85 0.54 -0.07 0.00 -0.02 0.00 0.00 41.12 42.43 2jqz n ASP 109 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2jqz h THR 110 N 0.00 0.00 0.00 -3.53 1.35 0.20 -3.48 112.91 107.45 2jqz h THR 110 Ca -0.14 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 2jqz h THR 110 Cb 1.44 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 2jqz h THR 110 CO 0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 2jqz n GLY 111 N -1.42 0.95 3.15 5.82 0.00 -0.99 -4.96 105.19 107.74 2jqz n GLY 111 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.03 -0.10 1.61 2.02 -1.26 -4.28 117.35 113.32 2jqz s TYR 112 Ca 0.00 0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.73 2jqz s TYR 112 Cb 0.00 0.01 0.02 0.00 -0.40 0.00 0.00 41.96 41.59 2jqz s TYR 112 CO 0.00 -0.02 -0.10 -0.65 -1.57 0.00 0.00 175.55 173.21 2jqz s GLN 113 N 3.00 1.68 -0.56 -0.62 -1.52 0.60 -4.92 119.66 117.31 2jqz s GLN 113 Ca 0.08 -0.35 -0.16 0.00 -1.95 0.00 0.00 55.36 52.98 2jqz s GLN 113 Cb -0.04 -1.56 0.13 0.00 -0.22 0.00 0.00 33.01 31.32 2jqz s GLN 113 CO -0.13 -0.14 0.53 -0.98 -0.25 0.00 0.00 175.29 174.32 2jqz s ARG 114 N 1.24 3.03 -0.21 2.91 1.70 -1.26 -1.17 118.95 125.19 2jqz s ARG 114 Ca -0.03 -1.72 -0.13 0.00 -0.47 0.00 0.00 55.73 53.37 2jqz s ARG 114 Cb -0.14 -4.31 -0.05 0.00 -0.57 0.00 0.00 34.95 29.89 2jqz s ARG 114 CO -0.03 -1.35 0.27 -0.51 -1.08 0.00 0.00 175.30 172.60 2jqz s LEU 115 N 1.61 4.16 0.50 -1.89 2.01 0.36 -4.85 118.68 120.57 2jqz s LEU 115 Ca 0.05 0.33 -0.23 0.00 0.01 0.00 0.00 54.13 54.29 2jqz s LEU 115 Cb -0.28 -2.30 -0.06 0.00 0.01 0.00 0.00 46.19 43.55 2jqz s LEU 115 CO 0.03 0.02 1.32 -0.62 1.01 0.00 0.00 176.35 178.11 2jqz s ASP 116 N 0.92 5.68 -0.22 2.29 -1.08 -1.26 -0.99 116.67 122.01 2jqz s ASP 116 Ca 0.13 2.67 -0.09 0.00 -0.52 0.00 0.00 52.55 54.74 2jqz s ASP 116 Cb -0.14 -2.63 -0.05 0.00 -1.46 0.00 0.00 42.92 38.65 2jqz s ASP 116 CO 0.05 -1.28 0.12 -0.76 0.52 0.00 0.00 175.17 173.83 2jqz s LEU 117 N -3.17 4.00 0.35 -1.34 1.43 0.21 -4.80 118.68 115.36 2jqz s LEU 117 Ca 0.66 0.09 -0.18 0.00 -1.03 0.00 0.00 54.13 53.68 2jqz s LEU 117 Cb -0.38 -2.05 0.04 0.00 0.03 0.00 0.00 46.19 43.83 2jqz s LEU 117 CO 0.46 0.10 0.76 0.00 0.23 0.00 0.00 176.35 177.90 2jqz n LYS 119 N -0.51 -0.96 -0.33 0.00 -0.00 -1.26 -3.41 118.16 111.70 2jqz n LYS 119 Ca -0.07 -0.25 0.36 0.00 -0.00 0.00 0.00 58.31 58.36 2jqz n LYS 119 Cb 0.60 -1.86 0.70 0.00 -0.00 0.00 0.00 35.03 34.47 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 -1.87 0.00 0.00 -5.58 -0.00 -1.93 -3.46 115.31 102.48 2jqz h LEU 120 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.39 2jqz h LEU 120 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.97 2jqz h LEU 120 CO 0.37 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.42 2jqz n GLY 121 N -1.75 -0.03 3.68 0.83 0.00 -1.26 -5.06 105.19 101.60 2jqz n GLY 121 Ca 0.27 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 2jqz n GLY 121 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jqz n PRO 122 N 0.00 0.86 -0.64 1.61 -0.04 -1.26 -1.85 135.00 133.68 2jqz n PRO 122 Ca 0.00 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 2jqz n PRO 122 Cb 0.00 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 2jqz n PRO 122 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2jqz n ASN 123 N -1.75 -0.84 -0.47 3.54 5.03 -1.26 -4.69 115.26 114.82 2jqz n ASN 123 Ca 0.15 0.00 0.05 0.00 0.87 0.00 0.00 54.58 55.64 2jqz n ASN 123 Cb 0.48 -2.26 0.12 0.00 -1.02 0.00 0.00 39.78 37.10 2jqz n ASN 123 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2jqz n ASP 124 N -0.13 2.77 -4.50 6.41 2.03 -0.77 -5.00 116.55 117.36 2jqz n ASP 124 Ca 0.00 -2.19 -0.45 0.00 0.52 0.00 0.00 54.79 52.67 2jqz n ASP 124 Cb 0.06 -0.22 -0.06 0.00 -0.72 0.00 0.00 41.12 40.18 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 0.01 2.16 -3.31 1.67 4.13 -1.24 -4.62 115.26 114.06 2jqz n ASN 125 Ca 0.10 0.15 -0.24 0.00 1.68 0.00 0.00 54.58 56.27 2jqz n ASN 125 Cb 0.45 -1.35 -0.09 0.00 -1.54 0.00 0.00 39.78 37.26 2jqz n ASN 125 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2jqz n ASP 126 N 11.56 -0.78 -3.29 6.41 8.00 -1.26 -5.00 116.55 132.19 2jqz n ASP 126 Ca 0.41 -2.45 -0.28 0.00 0.71 0.00 0.00 54.79 53.17 2jqz n ASP 126 Cb 0.31 -0.30 0.03 0.00 -0.02 0.00 0.00 41.12 41.14 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 2.75 -6.12 -4.12 -3.53 -2.24 -1.26 -4.96 114.28 94.79 2jqz n THR 127 Ca 0.28 0.36 -0.11 0.00 -2.27 0.00 0.00 64.05 62.31 2jqz n THR 127 Cb 0.49 -4.70 -0.10 0.00 -2.10 0.00 0.00 70.33 63.92 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 -1.79 0.56 0.00 2.28 0.11 -1.26 -4.95 120.40 115.35 2jqz s VAL 128 Ca 0.33 -1.63 0.00 0.00 -2.93 0.00 0.00 61.98 57.75 2jqz s VAL 128 Cb -0.05 -1.29 0.00 0.00 -1.53 0.00 0.00 36.38 33.51 2jqz s VAL 128 CO 0.82 -0.73 0.00 -1.14 -3.33 0.00 0.00 175.10 170.72 2jqz n ARG 129 N 0.48 0.00 0.00 1.54 0.63 -1.26 -4.93 116.66 113.12 2jqz n ARG 129 Ca -0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 2jqz n ARG 129 Cb 0.59 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.50 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 -0.69 3.42 5.14 0.00 -0.43 -2.50 105.19 110.14 2jqz n GLY 130 Ca 0.00 -1.31 -0.14 0.00 0.00 0.00 0.00 46.02 44.57 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 1.70 -0.28 1.61 1.11 0.05 0.64 119.66 122.48 2jqz s GLN 131 Ca 0.00 -1.70 -0.16 0.00 0.01 0.00 0.00 55.36 53.51 2jqz s GLN 131 Cb 0.00 0.40 0.08 0.00 -1.01 0.00 0.00 33.01 32.48 2jqz s GLN 131 CO 0.00 -0.67 0.70 -1.50 0.01 0.00 0.00 175.29 173.82 2jqz s ILE 132 N -3.47 -0.04 -0.27 1.08 2.07 -0.16 -1.02 121.20 119.38 2jqz s ILE 132 Ca 0.33 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.46 2jqz s ILE 132 Cb 0.01 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.56 2jqz s ILE 132 CO 0.18 0.00 0.17 -0.69 -1.91 0.00 0.00 174.94 172.70 2jqz s VAL 133 N 1.69 5.20 0.35 4.00 1.01 0.46 -0.49 120.40 132.62 2jqz s VAL 133 Ca -0.10 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.04 2jqz s VAL 133 Cb -0.05 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 2jqz s VAL 133 CO -0.20 0.27 0.10 1.33 0.00 0.00 0.00 175.10 176.60 2jqz n VAL 134 N 4.94 0.00 -3.73 2.92 0.24 -0.32 -1.95 118.33 120.44 2jqz n VAL 134 Ca -0.14 -1.96 -0.16 0.00 -2.04 0.00 0.00 64.34 60.04 2jqz n VAL 134 Cb 0.52 0.64 -0.16 0.00 -1.47 0.00 0.00 33.84 33.37 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 -3.11 0.32 -0.33 -1.34 1.04 -0.04 -0.29 113.70 109.94 2jqz s SER 135 Ca 0.14 0.19 -0.09 0.00 0.48 0.00 0.00 55.95 56.66 2jqz s SER 135 Cb 0.01 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.20 2jqz s SER 135 CO 0.10 -0.18 0.15 -0.76 0.98 0.00 0.00 173.24 173.53 2jqz s LEU 136 N 1.52 4.26 -0.06 2.42 2.01 -1.26 -0.77 118.68 126.80 2jqz s LEU 136 Ca -0.04 -0.74 -0.04 0.00 0.01 0.00 0.00 54.13 53.31 2jqz s LEU 136 Cb -0.12 -1.98 0.02 0.00 0.01 0.00 0.00 46.19 44.12 2jqz s LEU 136 CO -0.04 -0.26 0.15 -1.58 1.01 0.00 0.00 176.35 175.62 2jqz s GLN 137 N 1.56 0.14 0.13 1.70 0.74 -1.11 -2.35 119.66 120.48 2jqz s GLN 137 Ca 0.03 0.27 -0.31 0.00 0.05 0.00 0.00 55.36 55.40 2jqz s GLN 137 Cb -0.18 -0.02 -0.10 0.00 1.10 0.00 0.00 33.01 33.81 2jqz s GLN 137 CO 0.05 -0.08 1.75 -1.54 -0.55 0.00 0.00 175.29 174.92 2jqz s SER 138 N 0.50 6.47 0.18 6.67 1.04 -1.22 -2.43 113.70 124.91 2jqz s SER 138 Ca -0.03 2.71 -0.02 0.00 0.48 0.00 0.00 55.95 59.08 2jqz s SER 138 Cb -0.05 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.45 2jqz s SER 138 CO -0.02 -0.96 0.39 -0.60 0.98 0.00 0.00 173.24 173.03 2jqz s ARG 139 N 2.24 3.56 0.00 4.02 6.06 -1.18 -4.87 118.95 128.78 2jqz s ARG 139 Ca 0.77 -0.24 0.00 0.00 -2.50 0.00 0.00 55.73 53.76 2jqz s ARG 139 Cb -0.45 -2.83 0.00 0.00 0.06 0.00 0.00 34.95 31.72 2jqz s ARG 139 CO 0.34 0.42 0.00 -3.47 -2.50 0.00 0.00 175.30 170.09