#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 0.81 -0.11 1.61 0.02 -1.26 -4.99 135.00 131.07 2jqz s PRO 11 Ca 0.00 0.95 -0.12 0.00 0.02 0.00 0.00 61.00 61.85 2jqz s PRO 11 Cb 0.00 -1.75 -0.05 0.00 0.02 0.00 0.00 34.50 32.73 2jqz s PRO 11 CO 0.00 -2.58 0.27 0.54 -0.33 0.00 0.00 177.00 174.90 2jqz s VAL 12 N -2.80 5.29 -0.66 3.83 0.11 -0.48 -4.81 120.40 120.88 2jqz s VAL 12 Ca 0.65 0.51 -0.21 0.00 -2.93 0.00 0.00 61.98 60.00 2jqz s VAL 12 Cb -0.20 -3.58 0.08 0.00 -1.53 0.00 0.00 36.38 31.15 2jqz s VAL 12 CO 0.59 0.50 0.91 -0.75 -3.33 0.00 0.00 175.10 173.01 2jqz s LYS 13 N -0.28 3.13 -0.19 1.54 2.47 -1.26 -1.66 119.74 123.48 2jqz s LYS 13 Ca 0.17 -1.02 -0.05 0.00 -1.56 0.00 0.00 55.97 53.51 2jqz s LYS 13 Cb -0.13 -4.29 -0.03 0.00 -1.46 0.00 0.00 37.83 31.92 2jqz s LYS 13 CO 0.06 -1.75 -0.00 -1.17 0.16 0.00 0.00 175.35 172.65 2jqz s LEU 14 N 3.63 3.32 -0.29 5.43 1.98 -0.99 -1.03 118.68 130.72 2jqz s LEU 14 Ca 0.20 -0.15 -0.07 0.00 -2.89 0.00 0.00 54.13 51.22 2jqz s LEU 14 Cb -0.18 -1.83 0.00 0.00 0.66 0.00 0.00 46.19 44.85 2jqz s LEU 14 CO 0.08 0.10 0.08 -0.60 -1.89 0.00 0.00 176.35 174.12 2jqz s ARG 15 N 0.78 3.16 -0.40 1.98 3.52 -0.88 -1.14 118.95 125.98 2jqz s ARG 15 Ca 0.00 -0.81 -0.16 0.00 -0.13 0.00 0.00 55.73 54.63 2jqz s ARG 15 Cb -0.14 -3.37 0.01 0.00 -1.56 0.00 0.00 34.95 29.89 2jqz s ARG 15 CO 0.02 -0.41 0.37 -1.17 -0.81 0.00 0.00 175.30 173.30 2jqz s LEU 16 N 1.52 4.82 -0.42 -0.88 0.20 -0.83 -2.52 118.68 120.57 2jqz s LEU 16 Ca 0.03 -0.63 -0.20 0.00 0.69 0.00 0.00 54.13 54.02 2jqz s LEU 16 Cb -0.17 -2.30 0.02 0.00 -0.43 0.00 0.00 46.19 43.31 2jqz s LEU 16 CO 0.03 -0.47 0.61 -0.89 -0.29 0.00 0.00 176.35 175.34 2jqz s THR 17 N 1.96 4.87 -0.85 3.68 2.01 0.11 -2.40 115.64 125.02 2jqz s THR 17 Ca 0.10 0.13 -0.20 0.00 0.31 0.00 0.00 61.69 62.03 2jqz s THR 17 Cb -0.17 -4.16 0.11 0.00 0.01 0.00 0.00 72.50 68.28 2jqz s THR 17 CO 0.12 -0.53 1.09 -0.69 -0.69 0.00 0.00 174.62 173.92 2jqz s VAL 18 N 2.71 4.57 -0.04 3.82 1.01 0.44 -0.97 120.40 131.95 2jqz s VAL 18 Ca 0.21 -1.18 -0.14 0.00 0.00 0.00 0.00 61.98 60.88 2jqz s VAL 18 Cb -0.15 -4.76 -0.08 0.00 0.00 0.00 0.00 36.38 31.40 2jqz s VAL 18 CO 0.18 -1.51 0.57 0.25 0.00 0.00 0.00 175.10 174.59 2jqz h LEU 19 N 10.79 -0.40 -7.92 3.92 5.85 -1.71 0.72 115.31 126.55 2jqz h LEU 19 Ca 0.02 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.82 2jqz h LEU 19 Cb 1.04 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 2jqz h LEU 19 CO 1.15 0.04 0.33 0.00 -0.34 0.00 0.00 178.44 179.62 2jqz s ALA 21 N -3.25 2.08 0.16 0.00 0.00 -1.12 -0.43 121.76 119.20 2jqz s ALA 21 Ca 0.13 -1.70 0.05 0.00 0.00 0.00 0.00 51.96 50.44 2jqz s ALA 21 Cb -0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 2jqz s ALA 21 CO 0.07 0.05 -0.10 0.15 0.00 0.00 0.00 175.76 175.92 2jqz s LYS 22 N -3.66 1.11 -1.06 0.00 -0.14 -0.03 -3.66 119.74 112.31 2jqz s LYS 22 Ca 0.24 -1.48 -0.21 0.00 -1.36 0.00 0.00 55.97 53.16 2jqz s LYS 22 Cb -0.00 -0.69 0.03 0.00 -1.68 0.00 0.00 37.83 35.49 2jqz s LYS 22 CO 0.08 0.08 0.65 -1.71 -0.76 0.00 0.00 175.35 173.69 2jqz n ASN 23 N -0.23 -4.41 -4.66 2.83 4.05 -1.10 -0.52 115.26 111.21 2jqz n ASN 23 Ca -0.10 -1.17 -0.43 0.00 0.45 0.00 0.00 54.58 53.33 2jqz n ASN 23 Cb 0.61 -1.63 -0.02 0.00 1.23 0.00 0.00 39.78 39.96 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 -6.46 4.17 -0.26 1.20 2.01 -1.06 -2.07 118.68 116.22 2jqz s LEU 24 Ca 0.29 1.65 -0.33 0.00 0.01 0.00 0.00 54.13 55.76 2jqz s LEU 24 Cb -0.16 -3.54 -0.10 0.00 0.01 0.00 0.00 46.19 42.40 2jqz s LEU 24 CO 0.94 -0.74 2.13 0.55 1.01 0.00 0.00 176.35 180.24 2jqz n VAL 25 N 5.34 0.32 0.20 -1.59 3.14 -1.26 -4.75 118.33 119.73 2jqz n VAL 25 Ca 0.14 -0.28 0.03 0.00 -2.96 0.00 0.00 64.34 61.26 2jqz n VAL 25 Cb 0.45 -1.95 0.12 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 7.97 0.02 0.00 1.45 2.85 -1.26 -4.61 118.16 124.58 2jqz n LYS 26 Ca 0.34 0.36 0.00 0.00 -1.05 0.00 0.00 58.31 57.96 2jqz n LYS 26 Cb 0.30 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.18 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 -1.44 0.00 -3.83 -1.58 4.76 -1.26 -4.26 118.16 110.55 2jqz n LYS 27 Ca 0.02 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.09 2jqz n LYS 27 Cb 0.06 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.19 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 -3.69 6.44 0.00 4.39 1.01 -1.26 -5.05 116.67 118.50 2jqz s ASP 28 Ca 0.00 0.53 0.00 0.00 0.71 0.00 0.00 52.55 53.79 2jqz s ASP 28 Cb 0.00 -2.09 0.00 0.00 1.01 0.00 0.00 42.92 41.84 2jqz s ASP 28 CO 0.00 0.40 0.43 0.49 0.21 0.00 0.00 175.17 176.69 2jqz n PHE 29 N 1.98 0.00 0.17 4.23 3.72 -1.26 -2.23 117.46 124.07 2jqz n PHE 29 Ca -0.19 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.36 2jqz n PHE 29 Cb 0.55 0.00 0.74 0.00 -0.94 0.00 0.00 39.48 39.83 2jqz n PHE 29 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2jqz h PHE 30 N 0.00 0.00 -4.53 1.38 3.57 -1.97 -3.43 116.94 111.96 2jqz h PHE 30 Ca 0.00 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 61.02 2jqz h PHE 30 Cb 0.00 0.00 0.10 0.00 2.79 0.00 0.00 35.95 38.84 2jqz h PHE 30 CO 0.00 0.00 0.40 1.03 -2.23 0.00 0.00 178.31 177.51 2jqz s ARG 31 N -4.87 2.20 0.01 1.11 0.52 -0.95 -5.10 118.95 111.87 2jqz s ARG 31 Ca -0.05 0.26 -0.01 0.00 -0.52 0.00 0.00 55.73 55.41 2jqz s ARG 31 Cb 0.17 -1.96 -0.01 0.00 0.52 0.00 0.00 34.95 33.67 2jqz s ARG 31 CO 0.64 -1.46 0.01 -0.51 0.02 0.00 0.00 175.30 173.99 2jqz s LEU 32 N -5.55 2.06 0.25 2.53 2.01 -1.26 -4.58 118.68 114.14 2jqz s LEU 32 Ca 0.61 -0.28 -0.10 0.00 0.01 0.00 0.00 54.13 54.37 2jqz s LEU 32 Cb -0.11 0.15 -0.07 0.00 0.01 0.00 0.00 46.19 46.16 2jqz s LEU 32 CO 0.50 -0.21 0.58 -2.16 1.01 0.00 0.00 176.35 176.08 2jqz s PRO 33 N -0.94 3.83 -0.85 1.29 0.04 -1.26 -4.68 135.00 132.43 2jqz s PRO 33 Ca -0.10 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.27 2jqz s PRO 33 Cb -0.06 -2.61 0.22 0.00 0.04 0.00 0.00 34.50 32.09 2jqz s PRO 33 CO -0.00 0.28 0.77 -0.25 0.04 0.00 0.00 177.00 177.84 2jqz n ASP 34 N -0.21 4.06 -4.77 6.66 9.92 -1.26 -1.77 116.55 129.19 2jqz n ASP 34 Ca 0.01 -3.20 -0.40 0.00 -0.53 0.00 0.00 54.79 50.67 2jqz n ASP 34 Cb 0.53 -0.97 0.01 0.00 -0.64 0.00 0.00 41.12 40.05 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 3.78 0.27 -0.24 0.04 -1.18 -0.99 135.00 135.07 2jqz s PRO 35 Ca 0.29 2.42 -0.10 0.00 0.04 0.00 0.00 61.00 63.65 2jqz s PRO 35 Cb -0.04 -2.72 -0.00 0.00 0.04 0.00 0.00 34.50 31.79 2jqz s PRO 35 CO -0.11 -0.74 0.47 -0.59 0.04 0.00 0.00 177.00 176.06 2jqz s PHE 36 N -1.19 0.55 0.15 0.56 -0.12 -0.67 -0.13 117.98 117.13 2jqz s PHE 36 Ca 0.59 -0.89 0.06 0.00 -0.05 0.00 0.00 56.93 56.64 2jqz s PHE 36 Cb -0.44 0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.02 2jqz s PHE 36 CO 0.57 -1.03 -0.13 0.00 -0.05 0.00 0.00 175.22 174.58 2jqz s ALA 37 N -3.74 1.61 0.04 1.99 0.00 -1.14 -1.87 121.76 118.64 2jqz s ALA 37 Ca 0.25 -1.42 0.02 0.00 0.00 0.00 0.00 51.96 50.82 2jqz s ALA 37 Cb -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 2jqz s ALA 37 CO 0.12 0.05 -0.08 0.15 0.00 0.00 0.00 175.76 176.00 2jqz s LYS 38 N -3.11 0.54 -0.09 0.00 1.02 0.05 0.03 119.74 118.19 2jqz s LYS 38 Ca 0.14 -0.75 0.04 0.00 0.02 0.00 0.00 55.97 55.41 2jqz s LYS 38 Cb -0.02 -0.33 -0.01 0.00 -0.52 0.00 0.00 37.83 36.94 2jqz s LYS 38 CO 0.03 0.06 -0.20 0.08 -0.92 0.00 0.00 175.35 174.40 2jqz s VAL 39 N -1.33 2.45 -0.02 3.17 1.01 0.87 -1.32 120.40 125.22 2jqz s VAL 39 Ca -0.09 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.00 2jqz s VAL 39 Cb -0.10 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.34 2jqz s VAL 39 CO 0.01 0.56 -0.05 0.68 0.00 0.00 0.00 175.10 176.30 2jqz s VAL 40 N 0.02 0.46 -0.42 2.92 -7.23 -1.01 -2.30 120.40 112.83 2jqz s VAL 40 Ca -0.07 -0.17 -0.12 0.00 -1.81 0.00 0.00 61.98 59.80 2jqz s VAL 40 Cb -0.15 -0.44 0.06 0.00 0.56 0.00 0.00 36.38 36.41 2jqz s VAL 40 CO 0.05 0.17 0.29 -0.69 -0.31 0.00 0.00 175.10 174.61 2jqz s VAL 41 N 0.34 4.75 -0.96 1.32 1.01 -1.16 -2.56 120.40 123.13 2jqz s VAL 41 Ca -0.04 -1.06 -0.25 0.00 0.00 0.00 0.00 61.98 60.63 2jqz s VAL 41 Cb -0.08 -3.78 -0.12 0.00 0.00 0.00 0.00 36.38 32.40 2jqz s VAL 41 CO -0.00 -0.43 2.11 -0.62 0.00 0.00 0.00 175.10 176.16 2jqz s ASP 42 N 2.05 4.40 0.00 3.32 2.15 -1.10 -1.19 116.67 126.30 2jqz s ASP 42 Ca 0.03 -0.73 0.00 0.00 0.43 0.00 0.00 52.55 52.29 2jqz s ASP 42 Cb -0.22 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.83 2jqz s ASP 42 CO 0.06 -3.56 0.00 0.61 -0.17 0.00 0.00 175.17 172.11 2jqz n GLY 43 N 6.49 1.10 3.55 2.66 0.00 -1.26 -3.94 105.19 113.80 2jqz n GLY 43 Ca 0.43 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 2jqz n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jqz s SER 44 N 0.00 3.00 -0.49 1.61 0.01 -0.34 -5.06 113.70 112.44 2jqz s SER 44 Ca 0.00 -1.58 0.03 0.00 1.31 0.00 0.00 55.95 55.71 2jqz s SER 44 Cb 0.00 0.32 0.53 0.00 0.21 0.00 0.00 66.02 67.07 2jqz s SER 44 CO 0.00 -0.81 1.79 0.61 0.41 0.00 0.00 173.24 175.24 2jqz n GLY 45 N -0.93 5.36 3.56 3.44 0.00 -1.26 -4.44 105.19 110.93 2jqz n GLY 45 Ca -0.08 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 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 -3.54 3.62 0.08 1.61 -0.21 -1.26 -5.02 119.66 114.93 2jqz s GLN 46 Ca 0.57 -0.04 0.09 0.00 0.02 0.00 0.00 55.36 56.00 2jqz s GLN 46 Cb 0.47 -3.83 -0.03 0.00 1.00 0.00 0.00 33.01 30.62 2jqz s GLN 46 CO 0.03 -0.76 -0.23 0.00 -2.12 0.00 0.00 175.29 172.21 2jqz s HIS 48 N -0.95 0.68 -0.14 0.00 3.76 -0.97 -4.93 115.29 112.73 2jqz s HIS 48 Ca 0.09 -0.99 -0.22 0.00 -0.15 0.00 0.00 55.06 53.80 2jqz s HIS 48 Cb -0.10 -0.14 0.05 0.00 1.11 0.00 0.00 32.58 33.51 2jqz s HIS 48 CO 0.03 -0.82 0.56 -1.54 -0.85 0.00 0.00 174.74 172.12 2jqz s SER 49 N -3.07 -0.55 0.01 1.40 1.04 -1.26 -0.09 113.70 111.19 2jqz s SER 49 Ca 0.28 0.88 -0.01 0.00 0.48 0.00 0.00 55.95 57.58 2jqz s SER 49 Cb 0.03 0.88 -0.04 0.00 0.10 0.00 0.00 66.02 66.99 2jqz s SER 49 CO 0.09 -0.34 0.11 0.42 0.98 0.00 0.00 173.24 174.50 2jqz s THR 50 N -0.31 4.90 0.92 2.02 -4.23 0.10 -4.95 115.64 114.09 2jqz s THR 50 Ca -0.05 -0.39 -0.14 0.00 -1.18 0.00 0.00 61.69 59.93 2jqz s THR 50 Cb -0.03 -3.27 -0.02 0.00 1.34 0.00 0.00 72.50 70.51 2jqz s THR 50 CO 0.04 0.31 0.12 -0.90 -0.54 0.00 0.00 174.62 173.65 2jqz n ASP 51 N 1.01 -2.95 -4.86 3.99 5.75 -1.26 -2.90 116.55 115.32 2jqz n ASP 51 Ca -0.12 0.34 -0.33 0.00 -0.01 0.00 0.00 54.79 54.67 2jqz n ASP 51 Cb 0.52 -1.09 -0.06 0.00 -1.03 0.00 0.00 41.12 39.47 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 -2.23 4.88 -0.35 2.12 2.01 -1.26 -4.37 115.64 116.45 2jqz s THR 52 Ca 0.54 0.63 -0.05 0.00 0.31 0.00 0.00 61.69 63.12 2jqz s THR 52 Cb -0.23 -3.66 0.05 0.00 0.01 0.00 0.00 72.50 68.68 2jqz s THR 52 CO 0.70 0.02 0.11 -0.69 -0.69 0.00 0.00 174.62 174.07 2jqz s VAL 53 N -1.72 3.63 0.28 3.82 1.01 0.81 -4.98 120.40 123.25 2jqz s VAL 53 Ca 0.45 -1.29 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 2jqz s VAL 53 Cb -0.12 -3.12 -0.11 0.00 0.00 0.00 0.00 36.38 33.02 2jqz s VAL 53 CO 0.20 -0.25 1.61 -0.54 0.00 0.00 0.00 175.10 176.12 2jqz s LYS 54 N 1.35 4.13 0.00 2.72 1.02 -1.26 -3.13 119.74 124.58 2jqz s LYS 54 Ca -0.01 2.57 0.00 0.00 0.02 0.00 0.00 55.97 58.55 2jqz s LYS 54 Cb -0.20 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 2jqz s LYS 54 CO 0.01 -0.64 0.00 0.27 -0.92 0.00 0.00 175.35 174.07 2jqz n ASN 55 N 2.50 0.00 -4.01 2.83 2.04 -1.22 -4.92 115.26 112.48 2jqz n ASN 55 Ca 0.09 0.00 -0.10 0.00 -0.44 0.00 0.00 54.58 54.14 2jqz n ASN 55 Cb 0.37 0.00 -0.07 0.00 -2.53 0.00 0.00 39.78 37.55 2jqz n ASN 55 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 2jqz s THR 56 N 0.00 0.03 0.00 5.53 -1.32 -0.73 -4.93 115.64 114.22 2jqz s THR 56 Ca 0.00 -1.49 0.00 0.00 -1.21 0.00 0.00 61.69 58.99 2jqz s THR 56 Cb 0.00 -2.05 0.00 0.00 -1.51 0.00 0.00 72.50 68.94 2jqz s THR 56 CO 0.00 -0.16 0.62 0.18 -2.21 0.00 0.00 174.62 173.05 2jqz n LEU 57 N -0.28 1.03 -2.76 9.08 4.77 -1.26 -4.32 117.00 123.27 2jqz n LEU 57 Ca -0.04 -1.03 -0.05 0.00 -0.03 0.00 0.00 56.01 54.86 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 0.25 0.26 0.15 -0.67 -1.33 0.00 0.00 177.39 176.04 2jqz n ASP 58 N -0.19 -3.29 -3.06 -1.43 2.03 -1.26 -2.56 116.55 106.79 2jqz n ASP 58 Ca 0.00 -3.01 -0.16 0.00 0.52 0.00 0.00 54.79 52.14 2jqz n ASP 58 Cb 0.24 1.77 0.11 0.00 -0.72 0.00 0.00 41.12 42.52 2jqz n ASP 58 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2jqz n PRO 59 N 2.56 -0.61 -3.60 -0.67 -0.04 -1.24 -4.89 135.00 126.51 2jqz n PRO 59 Ca 0.15 -1.15 -0.13 0.00 -0.04 0.00 0.00 63.50 62.33 2jqz n PRO 59 Cb 0.58 -0.70 -0.07 0.00 -0.04 0.00 0.00 33.50 33.27 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 -4.50 0.77 0.00 0.54 0.00 -1.26 -2.78 119.74 112.51 2jqz s LYS 60 Ca 0.40 0.63 0.00 0.00 0.00 0.00 0.00 55.97 57.00 2jqz s LYS 60 Cb -0.01 0.37 0.00 0.00 0.00 0.00 0.00 37.83 38.19 2jqz s LYS 60 CO 0.28 -0.15 0.00 0.91 0.00 0.00 0.00 175.35 176.39 2jqz n TRP 61 N 1.93 0.00 -3.84 1.78 8.01 -0.52 -4.98 117.44 119.82 2jqz n TRP 61 Ca -0.14 0.00 -0.30 0.00 -1.31 0.00 0.00 57.50 55.75 2jqz n TRP 61 Cb 0.56 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.83 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 -1.23 -2.92 -4.43 -0.99 6.94 0.21 -4.92 115.26 107.91 2jqz n ASN 62 Ca 0.00 -0.71 -0.33 0.00 -0.02 0.00 0.00 54.58 53.52 2jqz n ASN 62 Cb 0.20 -2.44 -0.14 0.00 -2.36 0.00 0.00 39.78 35.05 2jqz n ASN 62 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2jqz s GLN 63 N -6.51 2.90 0.01 -3.83 -0.21 -0.97 -4.91 119.66 106.14 2jqz s GLN 63 Ca 0.58 -0.69 0.07 0.00 0.02 0.00 0.00 55.36 55.35 2jqz s GLN 63 Cb -0.32 -2.49 -0.02 0.00 1.00 0.00 0.00 33.01 31.17 2jqz s GLN 63 CO 0.72 0.44 -0.23 -3.38 -2.12 0.00 0.00 175.29 170.72 2jqz s HIS 64 N -0.26 2.05 -0.03 0.91 -3.43 -1.26 -0.42 115.29 112.85 2jqz s HIS 64 Ca 0.02 -0.39 0.06 0.00 -0.80 0.00 0.00 55.06 53.95 2jqz s HIS 64 Cb -0.13 -1.28 -0.01 0.00 -1.43 0.00 0.00 32.58 29.72 2jqz s HIS 64 CO 0.03 0.02 -0.21 0.71 -2.00 0.00 0.00 174.74 173.28 2jqz s TYR 65 N -0.64 2.00 -0.30 0.38 2.02 -1.01 -4.93 117.35 114.88 2jqz s TYR 65 Ca 0.09 -0.47 -0.13 0.00 -0.37 0.00 0.00 57.07 56.19 2jqz s TYR 65 Cb -0.09 -1.31 -0.03 0.00 -0.40 0.00 0.00 41.96 40.13 2jqz s TYR 65 CO 0.00 -0.10 0.28 -0.51 -1.57 0.00 0.00 175.55 173.65 2jqz s ASP 66 N -0.32 6.11 -0.02 2.29 1.11 -1.26 -1.96 116.67 122.63 2jqz s ASP 66 Ca 0.03 -0.08 0.05 0.00 0.18 0.00 0.00 52.55 52.73 2jqz s ASP 66 Cb -0.10 -2.16 -0.01 0.00 1.07 0.00 0.00 42.92 41.72 2jqz s ASP 66 CO 0.01 -0.18 -0.17 -0.76 1.18 0.00 0.00 175.17 175.25 2jqz s LEU 67 N 1.88 1.98 0.49 1.23 1.43 -0.29 -4.93 118.68 120.47 2jqz s LEU 67 Ca 0.10 -0.32 -0.18 0.00 -1.03 0.00 0.00 54.13 52.70 2jqz s LEU 67 Cb -0.16 -0.89 -0.09 0.00 0.03 0.00 0.00 46.19 45.08 2jqz s LEU 67 CO 0.11 0.18 0.98 -0.31 0.23 0.00 0.00 176.35 177.54 2jqz s TYR 68 N -0.23 3.39 -0.10 0.29 2.02 -1.25 -2.35 117.35 119.12 2jqz s TYR 68 Ca 0.03 1.51 -0.01 0.00 -0.37 0.00 0.00 57.07 58.23 2jqz s TYR 68 Cb -0.08 -2.82 0.03 0.00 -0.40 0.00 0.00 41.96 38.69 2jqz s TYR 68 CO 0.00 -0.32 -0.05 0.42 -1.57 0.00 0.00 175.55 174.03 2jqz s ILE 69 N -2.49 0.80 0.06 2.71 -1.09 -0.67 -4.87 121.20 115.65 2jqz s ILE 69 Ca 0.60 -0.14 0.06 0.00 -2.23 0.00 0.00 60.65 58.94 2jqz s ILE 69 Cb -0.10 -0.87 -0.03 0.00 -1.58 0.00 0.00 42.46 39.89 2jqz s ILE 69 CO 0.26 0.33 -0.17 -0.83 -1.23 0.00 0.00 174.94 173.30 2jqz s GLY 70 N 1.80 0.98 0.00 6.18 0.00 -1.26 -1.38 107.32 113.63 2jqz s GLY 70 Ca 0.05 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.78 2jqz s GLY 70 CO -0.07 -0.97 0.00 1.17 0.00 0.00 0.00 173.10 173.23 2jqz n LYS 71 N 1.65 0.00 -2.82 2.90 3.00 -1.26 -0.60 118.16 121.03 2jqz n LYS 71 Ca -0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.12 2jqz n LYS 71 Cb 0.54 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.63 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 1.36 1.30 -4.88 3.14 2.88 -1.26 -5.11 113.62 111.05 2jqz n SER 72 Ca 0.00 -2.07 -0.30 0.00 -1.33 0.00 0.00 58.87 55.17 2jqz n SER 72 Cb 0.00 -0.38 0.03 0.00 -0.75 0.00 0.00 64.21 63.11 2jqz n SER 72 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2jqz s ASP 73 N -3.55 5.77 0.18 -3.46 1.01 0.23 -4.84 116.67 112.00 2jqz s ASP 73 Ca 0.26 1.21 -0.02 0.00 0.71 0.00 0.00 52.55 54.71 2jqz s ASP 73 Cb 0.34 -2.12 -0.04 0.00 1.01 0.00 0.00 42.92 42.10 2jqz s ASP 73 CO -0.04 -1.13 0.12 -0.44 0.21 0.00 0.00 175.17 173.89 2jqz s SER 74 N -4.28 0.19 -0.02 0.27 0.01 -1.25 -3.33 113.70 105.29 2jqz s SER 74 Ca 0.56 -1.30 0.02 0.00 1.31 0.00 0.00 55.95 56.55 2jqz s SER 74 Cb -0.11 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.48 2jqz s SER 74 CO 0.52 -0.81 -0.07 -0.69 0.41 0.00 0.00 173.24 172.60 2jqz s VAL 75 N -4.11 0.59 -0.13 3.43 1.01 -0.94 -2.70 120.40 117.54 2jqz s VAL 75 Ca 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 2jqz s VAL 75 Cb 0.07 -0.52 0.03 0.00 0.00 0.00 0.00 36.38 35.96 2jqz s VAL 75 CO 0.08 0.19 -0.06 -0.89 0.00 0.00 0.00 175.10 174.42 2jqz s THR 76 N 0.11 0.98 -0.21 3.92 2.01 -1.06 -2.33 115.64 119.05 2jqz s THR 76 Ca -0.01 -0.39 -0.10 0.00 0.31 0.00 0.00 61.69 61.50 2jqz s THR 76 Cb -0.06 -1.09 -0.05 0.00 0.01 0.00 0.00 72.50 71.31 2jqz s THR 76 CO -0.00 0.24 0.13 -0.63 -0.69 0.00 0.00 174.62 173.67 2jqz s ILE 77 N 1.71 5.25 0.29 1.82 1.01 -0.32 -2.41 121.20 128.55 2jqz s ILE 77 Ca 0.03 0.14 0.10 0.00 0.00 0.00 0.00 60.65 60.92 2jqz s ILE 77 Cb -0.14 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 2jqz s ILE 77 CO -0.08 0.40 -0.07 -0.94 0.00 0.00 0.00 174.94 174.25 2jqz s SER 78 N 0.68 4.09 -0.11 3.58 1.04 -0.44 0.08 113.70 122.62 2jqz s SER 78 Ca 0.07 -0.89 -0.00 0.00 0.48 0.00 0.00 55.95 55.61 2jqz s SER 78 Cb -0.12 -0.56 0.02 0.00 0.10 0.00 0.00 66.02 65.47 2jqz s SER 78 CO 0.01 -0.05 -0.08 -0.69 0.98 0.00 0.00 173.24 173.41 2jqz s VAL 79 N -2.45 1.01 0.18 5.02 1.01 0.10 -0.77 120.40 124.51 2jqz s VAL 79 Ca 0.32 -0.29 0.09 0.00 0.00 0.00 0.00 61.98 62.11 2jqz s VAL 79 Cb -0.04 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 2jqz s VAL 79 CO 0.18 0.36 -0.13 0.26 0.00 0.00 0.00 175.10 175.78 2jqz s TRP 80 N 1.66 2.57 -0.76 5.22 0.52 -0.78 -1.37 118.94 126.01 2jqz s TRP 80 Ca 0.04 -0.25 -0.20 0.00 0.02 0.00 0.00 56.10 55.71 2jqz s TRP 80 Cb -0.13 -1.26 0.11 0.00 -1.15 0.00 0.00 33.47 31.04 2jqz s TRP 80 CO -0.08 0.50 0.96 1.21 0.02 0.00 0.00 176.95 179.57 2jqz s ASN 81 N -2.75 6.38 0.31 2.95 3.04 0.54 -1.67 114.94 123.74 2jqz s ASN 81 Ca 0.24 -1.58 0.05 0.00 0.04 0.00 0.00 52.86 51.61 2jqz s ASN 81 Cb -0.09 -2.38 0.84 0.00 -1.54 0.00 0.00 41.25 38.09 2jqz s ASN 81 CO 0.14 -1.19 1.60 -0.74 -3.04 0.00 0.00 177.10 173.88 2jqz h HIS 82 N 9.12 0.28 -0.09 0.43 -0.00 -1.33 0.35 115.15 123.91 2jqz h HIS 82 Ca -0.10 0.06 0.02 0.00 -0.00 0.00 0.00 60.37 60.35 2jqz h HIS 82 Cb 1.05 0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.47 2jqz h HIS 82 CO 1.02 -0.35 -0.05 0.87 -0.00 0.00 0.00 177.93 179.42 2jqz h LYS 83 N 0.09 -0.05 0.00 5.26 1.79 -1.92 -2.70 116.57 119.05 2jqz h LYS 83 Ca 0.62 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 59.01 2jqz h LYS 83 Cb 1.36 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.01 2jqz h LYS 83 CO -0.78 -0.03 -0.41 -0.22 -1.08 0.00 0.00 179.45 176.92 2jqz h LYS 84 N -0.05 0.00 0.00 3.15 1.63 -1.05 -1.95 116.57 118.30 2jqz h LYS 84 Ca 0.05 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 2jqz h LYS 84 Cb 0.13 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.76 2jqz h LYS 84 CO -0.12 0.41 -0.04 -0.84 -3.45 0.00 0.00 179.45 175.42 2jqz h ILE 85 N 0.00 0.67 0.00 2.00 3.07 -0.25 0.68 117.51 123.68 2jqz h ILE 85 Ca -0.00 -0.14 -0.15 0.00 1.55 0.00 0.00 64.86 66.11 2jqz h ILE 85 Cb 1.29 1.09 -0.02 0.00 -0.27 0.00 0.00 36.82 38.90 2jqz h ILE 85 CO 0.05 0.04 -1.01 -0.74 -1.05 0.00 0.00 178.15 175.44 2jqz h HIS 86 N 0.00 0.00 0.00 0.16 2.76 -1.23 -3.26 115.15 113.58 2jqz h HIS 86 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2jqz h HIS 86 Cb 0.08 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.04 2jqz h HIS 86 CO 0.00 0.61 0.03 1.17 -1.30 0.00 0.00 177.93 178.44 2jqz n LYS 87 N -3.08 0.00 -0.72 5.26 3.00 0.24 -4.93 118.16 117.93 2jqz n LYS 87 Ca -0.04 0.31 0.09 0.00 -0.00 0.00 0.00 58.31 58.68 2jqz n LYS 87 Cb 0.82 -1.53 -0.03 0.00 0.00 0.00 0.00 35.03 34.28 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 -1.30 -1.53 0.00 1.64 4.76 -1.11 -4.90 118.16 115.72 2jqz n LYS 88 Ca 0.00 1.12 0.00 0.00 -2.87 0.00 0.00 58.31 56.56 2jqz n LYS 88 Cb 0.03 -1.84 0.00 0.00 -1.84 0.00 0.00 35.03 31.38 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 -3.26 0.00 0.22 1.97 7.27 -1.26 -2.84 117.38 119.48 2jqz n GLN 89 Ca -0.02 0.00 0.11 0.00 0.07 0.00 0.00 57.00 57.16 2jqz n GLN 89 Cb 0.33 0.00 0.59 0.00 2.41 0.00 0.00 30.24 33.57 2jqz n GLN 89 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 2jqz h GLY 90 N 0.00 0.00 -4.96 1.69 0.00 -1.95 -3.42 103.07 94.43 2jqz h GLY 90 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 2jqz h GLY 90 CO 0.00 0.00 0.93 0.00 0.00 0.00 0.00 176.54 177.47 2jqz n ALA 91 N -1.73 1.86 0.00 3.60 0.00 -1.13 -4.12 120.51 118.99 2jqz n ALA 91 Ca -0.01 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2jqz n ALA 91 Cb 0.25 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.25 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 3.78 -0.70 3.73 0.00 0.00 -1.21 -3.37 105.19 107.41 2jqz n GLY 92 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.25 3.06 0.07 1.61 5.36 -1.26 -0.34 117.98 126.23 2jqz s PHE 93 Ca 0.00 0.00 0.00 0.00 -0.96 0.00 0.00 56.93 55.97 2jqz s PHE 93 Cb 0.00 -1.55 0.00 0.00 -0.34 0.00 0.00 43.02 41.13 2jqz s PHE 93 CO 0.00 0.50 0.00 1.28 -1.46 0.00 0.00 175.22 175.54 2jqz n LEU 94 N 0.40 0.15 -3.65 6.12 4.77 -0.86 -4.46 117.00 119.47 2jqz n LEU 94 Ca -0.10 0.12 -0.02 0.00 -0.03 0.00 0.00 56.01 55.98 2jqz n LEU 94 Cb 0.52 0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.59 2jqz n LEU 94 CO 0.41 -0.60 0.27 -0.83 -1.33 0.00 0.00 177.39 175.31 2jqz s GLY 95 N -3.89 -0.70 -0.23 -0.72 0.00 -0.47 -4.39 107.32 96.92 2jqz s GLY 95 Ca 0.00 2.34 -0.09 0.00 0.00 0.00 0.00 44.72 46.98 2jqz s GLY 95 CO 0.00 2.91 0.11 0.00 0.00 0.00 0.00 173.10 176.12 2jqz s VAL 97 N 1.04 4.77 -0.08 0.00 0.11 0.11 -4.63 120.40 121.72 2jqz s VAL 97 Ca 0.06 -0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.10 2jqz s VAL 97 Cb -0.14 -3.19 0.01 0.00 -1.53 0.00 0.00 36.38 31.53 2jqz s VAL 97 CO 0.04 0.40 -0.16 -0.60 -3.33 0.00 0.00 175.10 171.44 2jqz s ARG 98 N 0.90 2.14 -0.01 1.54 3.00 -1.26 -1.18 118.95 124.08 2jqz s ARG 98 Ca 0.05 -0.58 0.04 0.00 -1.00 0.00 0.00 55.73 54.24 2jqz s ARG 98 Cb -0.14 -1.70 -0.01 0.00 0.00 0.00 0.00 34.95 33.10 2jqz s ARG 98 CO 0.03 0.09 -0.15 -0.51 0.00 0.00 0.00 175.30 174.76 2jqz s LEU 99 N 0.52 2.03 0.00 -0.88 2.01 -0.99 -5.04 118.68 116.33 2jqz s LEU 99 Ca -0.15 -0.26 0.07 0.00 0.01 0.00 0.00 54.13 53.79 2jqz s LEU 99 Cb -0.16 -0.75 0.08 0.00 0.01 0.00 0.00 46.19 45.37 2jqz s LEU 99 CO 0.05 0.18 0.68 0.18 1.01 0.00 0.00 176.35 178.45 2jqz n LEU 100 N 2.73 0.00 -0.15 1.79 4.77 -1.26 -2.20 117.00 122.67 2jqz n LEU 100 Ca -0.14 -2.01 -0.05 0.00 -0.03 0.00 0.00 56.01 53.78 2jqz n LEU 100 Cb 0.55 -0.37 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 2jqz n LEU 100 CO 0.24 -0.70 0.99 -1.28 -1.33 0.00 0.00 177.39 175.31 2jqz h SER 101 N 0.00 0.29 -0.37 -1.43 0.87 -1.88 0.23 113.55 111.26 2jqz h SER 101 Ca -0.23 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.35 2jqz h SER 101 Cb 1.02 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 2jqz h SER 101 CO 0.31 0.20 0.16 -0.55 -0.53 0.00 0.00 176.83 176.43 2jqz h ASN 102 N 0.43 0.51 -0.52 6.23 -1.07 -1.95 -2.43 115.58 116.78 2jqz h ASN 102 Ca 0.21 -0.15 -0.07 0.00 0.07 0.00 0.00 56.30 56.36 2jqz h ASN 102 Cb 0.15 -0.13 -0.02 0.00 -2.07 0.00 0.00 38.32 36.24 2jqz h ASN 102 CO -0.17 0.52 0.07 0.00 0.07 0.00 0.00 177.43 177.92 2jqz h ALA 103 N 1.01 1.06 -0.77 4.14 0.00 -1.85 -2.74 119.26 120.11 2jqz h ALA 103 Ca 0.13 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2jqz h ALA 103 Cb 0.17 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2jqz h ALA 103 CO -0.01 0.60 0.51 0.82 0.00 0.00 0.00 179.25 181.17 2jqz h ILE 104 N 0.87 1.20 0.25 0.00 5.03 -0.21 0.19 117.51 124.84 2jqz h ILE 104 Ca 0.17 -0.37 -0.01 0.00 -0.12 0.00 0.00 64.86 64.53 2jqz h ILE 104 Cb 0.41 0.07 0.00 0.00 -3.03 0.00 0.00 36.82 34.27 2jqz h ILE 104 CO 0.01 0.19 -0.12 0.78 -0.68 0.00 0.00 178.15 178.34 2jqz h ASN 105 N 1.05 -0.28 -0.68 1.72 4.21 -1.17 0.32 115.58 120.73 2jqz h ASN 105 Ca 0.28 -0.25 -0.02 0.00 1.21 0.00 0.00 56.30 57.53 2jqz h ASN 105 Cb -0.12 0.07 -0.03 0.00 -1.12 0.00 0.00 38.32 37.12 2jqz h ASN 105 CO -0.06 0.18 0.37 0.03 -1.29 0.00 0.00 177.43 176.66 2jqz h ARG 106 N -0.84 0.98 0.04 0.81 3.08 -1.38 -2.88 114.38 114.18 2jqz h ARG 106 Ca -0.03 -0.11 -0.24 0.00 0.07 0.00 0.00 59.98 59.67 2jqz h ARG 106 Cb 0.51 -0.19 0.02 0.00 0.08 0.00 0.00 29.97 30.39 2jqz h ARG 106 CO 0.06 0.73 -0.94 -0.07 -1.07 0.00 0.00 179.97 178.67 2jqz h LEU 107 N 0.98 0.77 -1.83 3.04 3.38 -0.67 -2.62 115.31 118.36 2jqz h LEU 107 Ca 0.25 -0.78 0.13 0.00 0.09 0.00 0.00 57.88 57.57 2jqz h LEU 107 Cb 0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2jqz h LEU 107 CO -0.04 1.45 0.38 0.07 0.09 0.00 0.00 178.44 180.39 2jqz h LYS 108 N 0.17 0.18 0.00 1.13 5.09 -0.15 -1.65 116.57 121.34 2jqz h LYS 108 Ca -0.13 -0.01 -0.26 0.00 0.09 0.00 0.00 60.65 60.34 2jqz h LYS 108 Cb 1.63 -0.04 -0.05 0.00 0.10 0.00 0.00 32.23 33.87 2jqz h LYS 108 CO 0.18 0.12 -1.84 -3.47 -2.09 0.00 0.00 179.45 172.35 2jqz n ASP 109 N -4.43 0.57 0.09 7.07 2.03 -1.14 -3.03 116.55 117.71 2jqz n ASP 109 Ca 0.10 0.27 -0.04 0.00 0.52 0.00 0.00 54.79 55.64 2jqz n ASP 109 Cb 0.49 0.41 -0.02 0.00 -0.72 0.00 0.00 41.12 41.29 2jqz n ASP 109 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2jqz h THR 110 N 0.00 0.00 0.00 5.18 1.35 -0.92 -3.50 112.91 115.02 2jqz h THR 110 Ca -0.31 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2jqz h THR 110 Cb 1.91 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 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 -0.58 1.93 2.58 5.82 0.00 -0.88 -4.99 105.19 109.06 2jqz n GLY 111 Ca -0.03 -1.37 -0.05 0.00 0.00 0.00 0.00 46.02 44.57 2jqz n GLY 111 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jqz n TYR 112 N 2.68 -4.41 -4.05 1.61 4.01 -1.24 -4.79 117.16 110.97 2jqz n TYR 112 Ca 0.00 2.51 -0.31 0.00 -0.16 0.00 0.00 57.90 59.94 2jqz n TYR 112 Cb 0.00 -3.91 -0.16 0.00 -0.31 0.00 0.00 39.34 34.96 2jqz n TYR 112 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2jqz s GLN 113 N -0.77 2.44 -0.64 -0.72 -1.52 0.12 -4.90 119.66 113.67 2jqz s GLN 113 Ca -0.26 -0.76 -0.25 0.00 -1.95 0.00 0.00 55.36 52.13 2jqz s GLN 113 Cb 0.02 -2.38 0.04 0.00 -0.22 0.00 0.00 33.01 30.47 2jqz s GLN 113 CO 0.79 -0.30 1.10 1.03 -0.25 0.00 0.00 175.29 177.66 2jqz s ARG 114 N 1.38 3.26 -0.29 2.91 0.52 -1.26 -2.50 118.95 122.97 2jqz s ARG 114 Ca 0.03 -0.31 -0.07 0.00 -0.52 0.00 0.00 55.73 54.85 2jqz s ARG 114 Cb -0.14 -4.13 -0.00 0.00 0.52 0.00 0.00 34.95 31.20 2jqz s ARG 114 CO -0.10 -1.81 0.09 -0.51 0.02 0.00 0.00 175.30 172.98 2jqz s LEU 115 N 4.71 3.77 0.38 2.53 1.43 0.02 -4.92 118.68 126.59 2jqz s LEU 115 Ca 0.32 -0.56 -0.28 0.00 -1.03 0.00 0.00 54.13 52.58 2jqz s LEU 115 Cb -0.11 -1.90 -0.11 0.00 0.03 0.00 0.00 46.19 44.09 2jqz s LEU 115 CO 0.17 -0.15 1.49 0.47 0.23 0.00 0.00 176.35 178.56 2jqz n ASP 116 N 4.90 3.83 -4.50 2.29 8.00 -1.26 -1.17 116.55 128.64 2jqz n ASP 116 Ca -0.15 1.23 -0.43 0.00 0.71 0.00 0.00 54.79 56.15 2jqz n ASP 116 Cb 0.49 -1.63 -0.07 0.00 -0.02 0.00 0.00 41.12 39.90 2jqz n ASP 116 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2jqz s LEU 117 N -2.07 4.64 0.35 0.64 1.43 0.17 -4.79 118.68 119.05 2jqz s LEU 117 Ca 0.53 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 2jqz s LEU 117 Cb -0.47 -2.62 -0.05 0.00 0.03 0.00 0.00 46.19 43.08 2jqz s LEU 117 CO 0.64 -0.81 0.09 0.00 0.23 0.00 0.00 176.35 176.50 2jqz s LYS 119 N -3.84 0.12 0.30 0.00 0.00 -1.26 -3.62 119.74 111.43 2jqz s LYS 119 Ca 0.32 1.27 -0.01 0.00 0.00 0.00 0.00 55.97 57.55 2jqz s LYS 119 Cb 0.06 -1.64 0.48 0.00 0.00 0.00 0.00 37.83 36.73 2jqz s LYS 119 CO 0.15 -3.16 1.94 -0.07 0.00 0.00 0.00 175.35 174.21 2jqz h LEU 120 N -2.24 0.94 -8.00 2.77 -0.00 -1.79 -3.47 115.31 103.53 2jqz h LEU 120 Ca -0.51 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.36 2jqz h LEU 120 Cb 1.30 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 41.74 2jqz h LEU 120 CO 0.45 0.64 0.29 -0.83 -0.00 0.00 0.00 178.44 178.99 2jqz s GLY 121 N -3.34 0.34 0.15 0.83 0.00 -1.26 -5.03 107.32 99.01 2jqz s GLY 121 Ca -0.12 -0.71 -0.03 0.00 0.00 0.00 0.00 44.72 43.86 2jqz s GLY 121 CO 0.80 -0.15 1.37 -0.56 0.00 0.00 0.00 173.10 174.56 2jqz h PRO 122 N 2.00 0.42 -0.64 2.90 0.13 -1.94 -3.24 132.00 131.63 2jqz h PRO 122 Ca -0.32 -0.39 -0.34 0.00 -0.87 0.00 0.00 66.00 64.08 2jqz h PRO 122 Cb 1.25 0.09 -0.20 0.00 0.13 0.00 0.00 31.00 32.27 2jqz h PRO 122 CO 0.40 1.04 0.21 0.09 -0.23 0.00 0.00 178.00 179.51 2jqz n ASN 123 N -3.80 3.27 -3.30 1.44 3.02 -1.26 -4.71 115.26 109.93 2jqz n ASN 123 Ca -0.05 -3.73 -0.25 0.00 -0.03 0.00 0.00 54.58 50.52 2jqz n ASN 123 Cb 0.76 -0.72 -0.08 0.00 -0.61 0.00 0.00 39.78 39.13 2jqz n ASN 123 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2jqz n ASP 124 N -1.11 -0.48 -2.70 6.41 2.03 -1.22 -5.03 116.55 114.45 2jqz n ASP 124 Ca 0.45 -2.50 -0.03 0.00 0.52 0.00 0.00 54.79 53.23 2jqz n ASP 124 Cb 1.25 -0.44 -0.02 0.00 -0.72 0.00 0.00 41.12 41.19 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 2.42 -4.27 -4.02 1.67 4.13 -1.26 -4.13 115.26 109.80 2jqz n ASN 125 Ca 0.27 1.34 -0.39 0.00 1.68 0.00 0.00 54.58 57.48 2jqz n ASN 125 Cb 0.50 -5.00 -0.03 0.00 -1.54 0.00 0.00 39.78 33.71 2jqz n ASN 125 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2jqz n ASP 126 N 1.30 5.06 -2.67 6.41 2.03 -1.26 -4.51 116.55 122.92 2jqz n ASP 126 Ca -0.21 -3.24 -0.22 0.00 0.52 0.00 0.00 54.79 51.64 2jqz n ASP 126 Cb 0.34 -1.13 -0.00 0.00 -0.72 0.00 0.00 41.12 39.61 2jqz n ASP 126 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2jqz n THR 127 N 1.87 2.00 -4.40 5.18 -2.24 -1.26 -5.06 114.28 110.37 2jqz n THR 127 Ca 0.25 -4.62 -0.26 0.00 -2.27 0.00 0.00 64.05 57.14 2jqz n THR 127 Cb 0.37 -0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 67.77 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 -0.28 0.00 0.00 2.28 0.24 -1.26 -4.89 118.33 114.41 2jqz n VAL 128 Ca 0.30 -2.01 0.00 0.00 -2.04 0.00 0.00 64.34 60.58 2jqz n VAL 128 Cb 0.64 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.27 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 -1.26 0.00 -2.56 7.34 0.63 -1.24 -4.92 116.66 114.64 2jqz n ARG 129 Ca -0.13 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.65 2jqz n ARG 129 Cb 0.55 0.00 0.04 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 2.11 3.39 5.14 0.00 -0.88 -4.74 105.19 110.20 2jqz n GLY 130 Ca 0.00 -2.21 -0.16 0.00 0.00 0.00 0.00 46.02 43.65 2jqz n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jqz s GLN 131 N -3.86 1.78 -0.23 1.61 1.11 0.32 0.43 119.66 120.82 2jqz s GLN 131 Ca 0.40 -1.83 -0.17 0.00 0.01 0.00 0.00 55.36 53.77 2jqz s GLN 131 Cb -0.03 0.38 0.07 0.00 -1.01 0.00 0.00 33.01 32.42 2jqz s GLN 131 CO 0.26 -0.70 0.60 -1.50 0.01 0.00 0.00 175.29 173.96 2jqz s ILE 132 N -3.33 -0.00 -0.41 1.08 2.07 -0.32 -0.85 121.20 119.44 2jqz s ILE 132 Ca 0.35 0.02 -0.11 0.00 -1.41 0.00 0.00 60.65 59.49 2jqz s ILE 132 Cb 0.01 -0.85 0.05 0.00 0.13 0.00 0.00 42.46 41.80 2jqz s ILE 132 CO 0.22 0.01 0.26 -0.69 -1.91 0.00 0.00 174.94 172.83 2jqz s VAL 133 N 0.96 4.63 0.40 4.00 1.01 0.43 -0.80 120.40 131.04 2jqz s VAL 133 Ca -0.05 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.88 2jqz s VAL 133 Cb -0.05 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.64 2jqz s VAL 133 CO -0.09 -0.39 0.06 1.33 0.00 0.00 0.00 175.10 176.02 2jqz n VAL 134 N 5.02 0.00 -3.78 2.92 0.24 -1.04 -2.22 118.33 119.47 2jqz n VAL 134 Ca -0.11 -1.84 -0.13 0.00 -2.04 0.00 0.00 64.34 60.22 2jqz n VAL 134 Cb 0.45 0.27 -0.11 0.00 -1.47 0.00 0.00 33.84 32.98 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 -3.25 -0.28 -0.27 -1.34 1.04 -0.14 0.16 113.70 109.62 2jqz s SER 135 Ca 0.05 0.52 -0.02 0.00 0.48 0.00 0.00 55.95 56.98 2jqz s SER 135 Cb -0.00 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.69 2jqz s SER 135 CO 0.03 -0.12 -0.04 -0.76 0.98 0.00 0.00 173.24 173.34 2jqz s LEU 136 N 0.04 3.46 -0.08 2.42 2.01 -1.26 -0.71 118.68 124.57 2jqz s LEU 136 Ca -0.01 -1.02 -0.04 0.00 0.01 0.00 0.00 54.13 53.07 2jqz s LEU 136 Cb -0.02 -1.68 0.03 0.00 0.01 0.00 0.00 46.19 44.53 2jqz s LEU 136 CO 0.01 -0.18 0.18 -1.10 1.01 0.00 0.00 176.35 176.27 2jqz s GLN 137 N 1.30 0.16 0.43 1.70 -0.21 -1.05 -3.40 119.66 118.59 2jqz s GLN 137 Ca -0.02 0.37 -0.22 0.00 0.02 0.00 0.00 55.36 55.51 2jqz s GLN 137 Cb -0.18 -0.08 -0.09 0.00 1.00 0.00 0.00 33.01 33.66 2jqz s GLN 137 CO -0.03 -0.12 1.04 -1.54 -2.12 0.00 0.00 175.29 172.52 2jqz s SER 138 N 0.87 6.60 0.22 5.90 1.04 -1.23 -2.07 113.70 125.03 2jqz s SER 138 Ca -0.06 1.98 0.08 0.00 0.48 0.00 0.00 55.95 58.43 2jqz s SER 138 Cb -0.08 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.42 2jqz s SER 138 CO -0.05 -0.60 0.01 -0.13 0.98 0.00 0.00 173.24 173.46 2jqz s ARG 139 N -2.80 2.40 0.00 4.02 1.81 -0.20 -4.87 118.95 119.31 2jqz s ARG 139 Ca 0.62 -1.23 0.26 0.00 -1.72 0.00 0.00 55.73 53.66 2jqz s ARG 139 Cb -0.19 -2.30 0.63 0.00 -0.45 0.00 0.00 34.95 32.64 2jqz s ARG 139 CO 0.24 0.41 1.51 -3.47 -0.68 0.00 0.00 175.30 173.31