#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jq6 h PRO 2 N 0.00 0.00 -6.45 1.61 0.11 -2.07 -3.41 132.00 121.79 2jq6 h PRO 2 Ca 0.00 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.58 2jq6 h PRO 2 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 2jq6 h PRO 2 CO 0.00 0.10 0.29 -0.51 -0.21 0.00 0.00 178.00 177.67 2jq6 s LEU 3 N -7.01 4.46 -0.33 2.35 2.01 -1.26 -3.32 118.68 115.59 2jq6 s LEU 3 Ca -0.02 1.65 0.00 0.00 0.01 0.00 0.00 54.13 55.77 2jq6 s LEU 3 Cb 0.12 -3.46 0.00 0.00 0.01 0.00 0.00 46.19 42.86 2jq6 s LEU 3 CO 0.56 -0.06 0.00 0.61 1.01 0.00 0.00 176.35 178.47 2jq6 n GLY 4 N 2.39 0.24 3.84 -3.19 0.00 -1.26 -5.03 105.19 102.17 2jq6 n GLY 4 Ca 0.01 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.99 2jq6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jq6 s SER 5 N -2.84 5.38 -0.13 1.61 1.04 -1.21 -4.93 113.70 112.63 2jq6 s SER 5 Ca 0.00 1.42 -0.34 0.00 0.48 0.00 0.00 55.95 57.52 2jq6 s SER 5 Cb 0.00 -2.30 -0.11 0.00 0.10 0.00 0.00 66.02 63.71 2jq6 s SER 5 CO 0.00 -1.42 1.95 -0.62 0.98 0.00 0.00 173.24 174.13 2jq6 n GLU 6 N -3.09 2.05 -3.90 4.02 1.02 -1.26 -4.94 120.64 114.53 2jq6 n GLU 6 Ca 0.07 0.72 -0.35 0.00 -0.02 0.00 0.00 57.16 57.58 2jq6 n GLU 6 Cb 0.55 -2.68 -0.14 0.00 -0.02 0.00 0.00 31.44 29.15 2jq6 n GLU 6 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2jq6 s SER 7 N 4.81 4.34 -0.04 1.62 0.01 -1.26 -5.10 113.70 118.08 2jq6 s SER 7 Ca 0.95 -0.42 -0.03 0.00 1.31 0.00 0.00 55.95 57.76 2jq6 s SER 7 Cb -0.68 -1.74 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 2jq6 s SER 7 CO 0.50 -0.03 0.15 -0.22 0.41 0.00 0.00 173.24 174.05 2jq6 s LEU 8 N 1.48 4.27 0.60 2.44 2.96 -1.26 -5.10 118.68 124.07 2jq6 s LEU 8 Ca 0.06 0.33 -0.17 0.00 -0.22 0.00 0.00 54.13 54.13 2jq6 s LEU 8 Cb -0.14 -2.41 -0.03 0.00 0.50 0.00 0.00 46.19 44.11 2jq6 s LEU 8 CO -0.03 0.30 1.10 -0.04 -1.32 0.00 0.00 176.35 176.36 2jq6 s MET 9 N -1.66 3.12 0.99 1.98 -1.94 -1.26 -5.01 119.30 115.52 2jq6 s MET 9 Ca 0.23 1.41 -0.11 0.00 -1.71 0.00 0.00 55.69 55.51 2jq6 s MET 9 Cb -0.12 -1.99 0.16 0.00 2.01 0.00 0.00 34.83 34.89 2jq6 s MET 9 CO 0.14 -1.00 0.97 -2.30 -0.01 0.00 0.00 175.02 172.82 2jq6 n PRO 10 N -1.95 -0.91 -3.36 2.03 -0.02 -1.26 -4.97 135.00 124.56 2jq6 n PRO 10 Ca 0.10 -0.21 -0.45 0.00 -2.02 0.00 0.00 63.50 60.92 2jq6 n PRO 10 Cb 0.52 -2.23 -0.07 0.00 -0.02 0.00 0.00 33.50 31.70 2jq6 n PRO 10 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2jq6 s SER 11 N -2.47 6.16 0.93 2.55 0.15 -1.26 -5.06 113.70 114.70 2jq6 s SER 11 Ca 0.65 -1.48 -0.13 0.00 0.70 0.00 0.00 55.95 55.70 2jq6 s SER 11 Cb -0.23 -2.19 0.15 0.00 -1.71 0.00 0.00 66.02 62.04 2jq6 s SER 11 CO 0.61 -0.72 1.14 -1.10 1.20 0.00 0.00 173.24 174.37 2jq6 s GLN 12 N 1.64 0.97 -0.32 5.44 -0.21 -1.26 -4.98 119.66 120.95 2jq6 s GLN 12 Ca 0.04 0.27 -0.29 0.00 0.02 0.00 0.00 55.36 55.40 2jq6 s GLN 12 Cb -0.26 -1.82 0.01 0.00 1.00 0.00 0.00 33.01 31.94 2jq6 s GLN 12 CO 0.05 -2.31 1.11 0.08 -2.12 0.00 0.00 175.29 172.11 2jq6 s VAL 13 N -3.26 4.44 0.00 1.09 1.01 -1.26 -5.02 120.40 117.41 2jq6 s VAL 13 Ca 0.64 1.65 0.08 0.00 0.00 0.00 0.00 61.98 64.35 2jq6 s VAL 13 Cb -0.15 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 2jq6 s VAL 13 CO 0.54 -0.50 -0.23 0.54 0.00 0.00 0.00 175.10 175.45 2jq6 s VAL 14 N 3.78 1.87 -0.32 2.92 0.11 -1.26 -5.10 120.40 122.40 2jq6 s VAL 14 Ca 0.47 -1.11 0.02 0.00 -2.93 0.00 0.00 61.98 58.43 2jq6 s VAL 14 Cb -0.13 -1.57 0.15 0.00 -1.53 0.00 0.00 36.38 33.30 2jq6 s VAL 14 CO 0.17 0.44 0.38 -0.75 -3.33 0.00 0.00 175.10 172.00 2jq6 s LYS 15 N -0.79 0.46 0.05 1.54 2.47 -1.26 -5.15 119.74 117.06 2jq6 s LYS 15 Ca 0.09 -0.23 0.04 0.00 -1.56 0.00 0.00 55.97 54.31 2jq6 s LYS 15 Cb -0.09 -0.50 -0.04 0.00 -1.46 0.00 0.00 37.83 35.74 2jq6 s LYS 15 CO 0.00 -1.08 -0.02 0.20 0.16 0.00 0.00 175.35 174.61 2jq6 s GLY 16 N 2.17 1.87 0.00 5.54 0.00 -1.26 -4.55 107.32 111.09 2jq6 s GLY 16 Ca 0.12 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.78 2jq6 s GLY 16 CO -0.23 -0.98 0.00 0.61 0.00 0.00 0.00 173.10 172.50 2jq6 n GLY 17 N 1.00 0.74 3.54 0.20 0.00 -1.26 -4.99 105.19 104.42 2jq6 n GLY 17 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 2jq6 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jq6 s ALA 18 N -2.35 2.85 -0.16 4.61 0.00 -1.26 -4.95 121.76 120.50 2jq6 s ALA 18 Ca 0.00 -2.32 0.02 0.00 0.00 0.00 0.00 51.96 49.66 2jq6 s ALA 18 Cb 0.00 -4.41 0.01 0.00 0.00 0.00 0.00 23.12 18.73 2jq6 s ALA 18 CO 0.00 -3.46 -0.21 -0.06 0.00 0.00 0.00 175.76 172.03 2jq6 s PHE 19 N 4.52 2.72 0.02 0.00 0.08 -1.26 -5.12 117.98 118.93 2jq6 s PHE 19 Ca 0.42 -1.47 0.06 0.00 0.12 0.00 0.00 56.93 56.06 2jq6 s PHE 19 Cb -0.02 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.55 2jq6 s PHE 19 CO -0.09 -0.69 -0.16 0.16 -0.10 0.00 0.00 175.22 174.34 2jq6 s ASP 20 N 1.01 3.91 -1.13 1.36 -4.77 -1.26 -5.05 116.67 110.73 2jq6 s ASP 20 Ca -0.02 -0.35 -0.05 0.00 -3.30 0.00 0.00 52.55 48.84 2jq6 s ASP 20 Cb -0.14 -0.70 0.27 0.00 -1.09 0.00 0.00 42.92 41.25 2jq6 s ASP 20 CO -0.06 0.28 1.72 0.61 0.70 0.00 0.00 175.17 178.41 2jq6 n GLY 21 N 1.74 5.30 3.09 2.12 0.00 -1.26 -4.91 105.19 111.27 2jq6 n GLY 21 Ca -0.16 -2.48 -0.33 0.00 0.00 0.00 0.00 46.02 43.04 2jq6 n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jq6 s THR 22 N -2.33 2.65 -0.22 2.61 2.01 -1.26 -5.06 115.64 114.04 2jq6 s THR 22 Ca 0.36 -1.93 -0.02 0.00 0.31 0.00 0.00 61.69 60.41 2jq6 s THR 22 Cb 0.10 -2.75 0.07 0.00 0.01 0.00 0.00 72.50 69.92 2jq6 s THR 22 CO 0.02 -0.40 0.03 0.00 -0.69 0.00 0.00 174.62 173.58 2jq6 s MET 23 N 1.07 0.79 -0.21 4.92 0.23 -1.26 -5.10 119.30 119.74 2jq6 s MET 23 Ca 0.03 -0.58 0.01 0.00 -1.03 0.00 0.00 55.69 54.12 2jq6 s MET 23 Cb -0.20 -2.15 0.05 0.00 -1.53 0.00 0.00 34.83 30.99 2jq6 s MET 23 CO -0.05 -0.68 -0.11 -0.80 -2.03 0.00 0.00 175.02 171.35 2jq6 s ASN 24 N 1.77 3.65 0.00 -1.18 -0.87 -1.26 -4.73 114.94 112.32 2jq6 s ASN 24 Ca -0.00 -1.01 0.00 0.00 -1.57 0.00 0.00 52.86 50.28 2jq6 s ASN 24 Cb -0.17 -1.33 0.00 0.00 -0.02 0.00 0.00 41.25 39.73 2jq6 s ASN 24 CO -0.10 -0.15 0.00 0.61 -2.57 0.00 0.00 177.10 174.89 2jq6 n GLY 25 N 4.62 1.12 3.59 0.66 0.00 -1.26 -5.07 105.19 108.84 2jq6 n GLY 25 Ca -0.15 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 2jq6 n GLY 25 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2jq6 s PRO 26 N 0.00 3.36 -0.30 1.61 0.02 -1.26 -4.89 135.00 133.54 2jq6 s PRO 26 Ca 0.00 0.73 -0.04 0.00 0.02 0.00 0.00 61.00 61.70 2jq6 s PRO 26 Cb 0.00 -4.11 -0.02 0.00 0.02 0.00 0.00 34.50 30.39 2jq6 s PRO 26 CO 0.00 -1.85 2.95 1.19 -0.33 0.00 0.00 177.00 178.96 2jq6 n PHE 27 N 9.57 1.10 0.00 6.54 3.72 -1.26 -4.70 117.46 132.42 2jq6 n PHE 27 Ca 0.15 -1.79 0.00 0.00 -0.05 0.00 0.00 57.45 55.76 2jq6 n PHE 27 Cb 0.49 -1.39 0.00 0.00 -0.94 0.00 0.00 39.48 37.63 2jq6 n PHE 27 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jq6 n GLY 28 N 1.32 0.90 3.53 1.37 0.00 -1.26 -5.14 105.19 105.90 2jq6 n GLY 28 Ca 0.45 0.58 -0.36 0.00 0.00 0.00 0.00 46.02 46.69 2jq6 n GLY 28 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jq6 s HIS 29 N 0.00 3.16 -0.31 1.61 2.46 -1.26 -5.01 115.29 115.94 2jq6 s HIS 29 Ca 0.00 -0.16 -0.12 0.00 0.47 0.00 0.00 55.06 55.25 2jq6 s HIS 29 Cb 0.00 -2.22 0.19 0.00 -0.13 0.00 0.00 32.58 30.41 2jq6 s HIS 29 CO 0.00 -0.17 1.08 0.20 -2.47 0.00 0.00 174.74 173.38 2jq6 s GLY 30 N 1.29 -1.14 0.01 1.59 0.00 -1.26 -5.16 107.32 102.65 2jq6 s GLY 30 Ca 0.05 1.88 0.04 0.00 0.00 0.00 0.00 44.72 46.69 2jq6 s GLY 30 CO 0.04 4.21 -0.12 -0.19 0.00 0.00 0.00 173.10 177.04 2jq6 s TYR 31 N 2.61 1.10 -0.72 1.90 2.02 -1.26 -5.08 117.35 117.92 2jq6 s TYR 31 Ca 0.24 -0.27 -0.27 0.00 -0.37 0.00 0.00 57.07 56.41 2jq6 s TYR 31 Cb 0.01 -0.68 0.01 0.00 -0.40 0.00 0.00 41.96 40.89 2jq6 s TYR 31 CO -0.20 -0.00 1.49 0.20 -1.57 0.00 0.00 175.55 175.47 2jq6 s GLY 32 N -0.64 0.67 -0.18 0.71 0.00 -1.26 -4.97 107.32 101.65 2jq6 s GLY 32 Ca 0.03 -1.19 -0.29 0.00 0.00 0.00 0.00 44.72 43.26 2jq6 s GLY 32 CO 0.00 2.91 1.40 1.85 0.00 0.00 0.00 173.10 179.27 2jq6 s GLU 33 N 6.14 4.08 0.04 2.90 2.12 -1.26 -4.99 118.70 127.74 2jq6 s GLU 33 Ca 0.46 1.68 -0.19 0.00 0.36 0.00 0.00 54.97 57.28 2jq6 s GLU 33 Cb -0.09 -3.88 -0.06 0.00 0.26 0.00 0.00 34.13 30.36 2jq6 s GLU 33 CO 0.15 -0.92 0.54 0.20 -0.54 0.00 0.00 175.26 174.69 2jq6 s GLY 34 N 2.78 2.61 0.29 -1.50 0.00 -1.26 -5.05 107.32 105.20 2jq6 s GLY 34 Ca 0.61 -0.02 -0.29 0.00 0.00 0.00 0.00 44.72 45.02 2jq6 s GLY 34 CO 0.21 0.47 1.16 0.00 0.00 0.00 0.00 173.10 174.94 2jq6 s ALA 35 N -0.87 3.43 -0.12 3.20 0.00 -1.26 -5.03 121.76 121.12 2jq6 s ALA 35 Ca 0.28 1.00 -0.02 0.00 0.00 0.00 0.00 51.96 53.22 2jq6 s ALA 35 Cb -0.19 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 2jq6 s ALA 35 CO 0.17 -0.29 -0.06 0.20 0.00 0.00 0.00 175.76 175.78 2jq6 s GLY 36 N -0.73 1.70 0.70 0.00 0.00 -1.26 -5.12 107.32 102.61 2jq6 s GLY 36 Ca 0.46 -0.85 -0.04 0.00 0.00 0.00 0.00 44.72 44.29 2jq6 s GLY 36 CO 0.44 -0.31 0.99 1.85 0.00 0.00 0.00 173.10 176.07 2jq6 s GLU 37 N -0.09 1.99 -1.07 2.90 2.12 -1.26 -4.96 118.70 118.32 2jq6 s GLU 37 Ca 0.01 -0.59 -0.22 0.00 0.36 0.00 0.00 54.97 54.53 2jq6 s GLU 37 Cb -0.13 -2.25 0.04 0.00 0.26 0.00 0.00 34.13 32.05 2jq6 s GLU 37 CO 0.03 -1.29 1.57 0.20 -0.54 0.00 0.00 175.26 175.22 2jq6 s GLY 38 N -4.59 1.21 0.55 -1.50 0.00 -1.26 -4.97 107.32 96.76 2jq6 s GLY 38 Ca 0.62 -2.32 -0.20 0.00 0.00 0.00 0.00 44.72 42.83 2jq6 s GLY 38 CO 0.44 2.80 1.15 -0.26 0.00 0.00 0.00 173.10 177.23 2jq6 s ILE 39 N 5.47 3.03 -1.23 0.90 -5.25 -1.26 -4.89 121.20 117.97 2jq6 s ILE 39 Ca 0.51 0.65 -0.18 0.00 -0.99 0.00 0.00 60.65 60.64 2jq6 s ILE 39 Cb 0.00 -3.27 -0.02 0.00 2.95 0.00 0.00 42.46 42.13 2jq6 s ILE 39 CO -0.05 -0.13 2.03 0.47 -1.79 0.00 0.00 174.94 175.47 2jq6 n ASP 40 N -1.31 3.67 -3.64 4.36 8.00 -1.26 -4.75 116.55 121.63 2jq6 n ASP 40 Ca 0.12 -2.80 -0.29 0.00 0.71 0.00 0.00 54.79 52.52 2jq6 n ASP 40 Cb 0.50 -1.55 -0.14 0.00 -0.02 0.00 0.00 41.12 39.91 2jq6 n ASP 40 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2jq6 s ASP 41 N 4.17 3.65 -0.17 -2.24 1.01 -1.26 -5.11 116.67 116.72 2jq6 s ASP 41 Ca 0.53 -1.87 0.01 0.00 0.71 0.00 0.00 52.55 51.92 2jq6 s ASP 41 Cb 0.11 -0.70 0.02 0.00 1.01 0.00 0.00 42.92 43.36 2jq6 s ASP 41 CO 0.02 -0.37 -0.18 -0.69 0.21 0.00 0.00 175.17 174.16 2jq6 s VAL 42 N 1.35 1.90 -0.43 -1.27 1.01 -1.26 -5.08 120.40 116.63 2jq6 s VAL 42 Ca 0.13 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.31 2jq6 s VAL 42 Cb -0.20 -1.73 0.12 0.00 0.00 0.00 0.00 36.38 34.57 2jq6 s VAL 42 CO -0.17 0.51 0.16 -0.70 0.00 0.00 0.00 175.10 174.90 2jq6 s GLU 43 N 1.36 1.66 -0.03 2.72 2.12 -1.26 -5.07 118.70 120.19 2jq6 s GLU 43 Ca 0.05 -2.19 0.05 0.00 0.36 0.00 0.00 54.97 53.24 2jq6 s GLU 43 Cb -0.13 -3.16 -0.01 0.00 0.26 0.00 0.00 34.13 31.10 2jq6 s GLU 43 CO -0.12 -1.03 -0.17 -0.46 -0.54 0.00 0.00 175.26 172.94 2jq6 s TRP 44 N 0.36 1.64 -1.55 5.30 -0.00 -1.26 -4.83 118.94 118.60 2jq6 s TRP 44 Ca 0.14 -0.41 0.28 0.00 -0.00 0.00 0.00 56.10 56.12 2jq6 s TRP 44 Cb -0.22 -1.09 1.49 0.00 -0.00 0.00 0.00 33.47 33.65 2jq6 s TRP 44 CO -0.05 -0.11 1.99 0.28 -0.00 0.00 0.00 176.95 179.07 2jq6 n VAL 45 N 2.95 0.07 0.11 5.86 0.31 -1.26 -3.28 118.33 123.09 2jq6 n VAL 45 Ca -0.17 0.02 0.11 0.00 -0.01 0.00 0.00 64.34 64.29 2jq6 n VAL 45 Cb 0.53 -0.55 0.01 0.00 -0.91 0.00 0.00 33.84 32.92 2jq6 n VAL 45 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2jq6 h VAL 46 N 0.00 0.01 0.00 2.52 2.07 -1.95 -3.14 116.25 115.77 2jq6 h VAL 46 Ca 0.00 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.50 2jq6 h VAL 46 Cb 0.21 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2jq6 h VAL 46 CO 0.00 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.21 2jq6 n GLY 47 N 1.18 -0.94 0.04 2.17 0.00 -1.20 -0.53 105.19 105.90 2jq6 n GLY 47 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 2jq6 n GLY 47 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jq6 n LYS 48 N -1.75 1.83 -0.15 1.61 2.85 -1.24 -4.62 118.16 116.69 2jq6 n LYS 48 Ca 0.02 -0.03 0.07 0.00 -1.05 0.00 0.00 58.31 57.32 2jq6 n LYS 48 Cb 0.13 -1.27 0.15 0.00 -0.65 0.00 0.00 35.03 33.39 2jq6 n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2jq6 n ASP 49 N -2.28 2.84 -0.33 -5.58 2.03 -1.02 -4.56 116.55 107.64 2jq6 n ASP 49 Ca -0.14 -1.87 -0.04 0.00 0.52 0.00 0.00 54.79 53.26 2jq6 n ASP 49 Cb 0.72 -0.20 0.09 0.00 -0.72 0.00 0.00 41.12 41.01 2jq6 n ASP 49 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2jq6 h LYS 50 N 2.53 1.24 -1.34 -0.67 3.64 -1.07 -2.69 116.57 118.21 2jq6 h LYS 50 Ca 0.00 -0.14 0.39 0.00 -1.27 0.00 0.00 60.65 59.63 2jq6 h LYS 50 Cb 0.72 -0.25 -0.06 0.00 -0.41 0.00 0.00 32.23 32.23 2jq6 h LYS 50 CO 0.00 0.90 0.95 -1.00 -2.27 0.00 0.00 179.45 178.04 2jq6 h PRO 51 N 1.25 0.04 -0.04 1.90 0.13 -1.85 0.43 132.00 133.86 2jq6 h PRO 51 Ca 0.32 -0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.21 2jq6 h PRO 51 Cb 0.02 -0.01 0.02 0.00 0.13 0.00 0.00 31.00 31.16 2jq6 h PRO 51 CO -0.05 0.03 -0.91 1.15 -0.23 0.00 0.00 178.00 177.99 2jq6 h THR 52 N 0.04 1.30 0.00 1.56 2.02 -1.84 -1.56 112.91 114.43 2jq6 h THR 52 Ca 0.66 -2.15 -0.17 0.00 0.77 0.00 0.00 66.41 65.52 2jq6 h THR 52 Cb 2.53 2.32 -0.02 0.00 -1.74 0.00 0.00 68.15 71.23 2jq6 h THR 52 CO -0.06 0.66 -0.83 1.88 0.37 0.00 0.00 175.52 177.54 2jq6 h TYR 53 N 0.34 0.00 0.00 3.16 0.05 -0.41 -2.56 116.97 117.55 2jq6 h TYR 53 Ca -0.10 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.48 2jq6 h TYR 53 Cb 1.56 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.27 2jq6 h TYR 53 CO 0.11 0.83 -1.23 0.38 -1.05 0.00 0.00 178.16 177.19 2jq6 h ASP 54 N 0.00 0.00 -0.42 3.88 3.04 -0.57 -1.63 116.42 120.71 2jq6 h ASP 54 Ca -0.01 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.71 2jq6 h ASP 54 Cb 1.62 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.89 2jq6 h ASP 54 CO 0.11 0.76 -0.00 1.05 -2.04 0.00 0.00 179.24 179.12 2jq6 h GLU 55 N 0.00 0.75 -0.15 4.15 4.11 -1.25 -0.67 114.58 121.52 2jq6 h GLU 55 Ca -0.13 -0.24 -0.10 0.00 0.07 0.00 0.00 59.36 58.96 2jq6 h GLU 55 Cb 1.70 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.87 2jq6 h GLU 55 CO 0.08 0.83 -0.33 0.82 0.07 0.00 0.00 179.01 180.47 2jq6 h ILE 56 N 0.59 1.28 -0.01 -1.06 2.04 -1.50 0.51 117.51 119.35 2jq6 h ILE 56 Ca 0.12 -1.35 0.03 0.00 1.00 0.00 0.00 64.86 64.66 2jq6 h ILE 56 Cb 0.49 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 2jq6 h ILE 56 CO 0.02 0.41 -0.20 0.15 0.00 0.00 0.00 178.15 178.54 2jq6 h PHE 57 N 0.26 -0.52 0.00 1.37 3.57 -0.85 -0.28 116.94 120.50 2jq6 h PHE 57 Ca 0.03 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 2jq6 h PHE 57 Cb 0.72 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2jq6 h PHE 57 CO 0.01 -0.28 -0.23 1.88 -2.23 0.00 0.00 178.31 177.47 2jq6 h TYR 58 N -0.31 0.00 -0.30 0.41 0.05 -0.95 -3.01 116.97 112.85 2jq6 h TYR 58 Ca 0.06 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.75 2jq6 h TYR 58 Cb 0.39 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 2jq6 h TYR 58 CO -0.25 0.23 -0.19 1.15 -1.05 0.00 0.00 178.16 178.05 2jq6 h THR 59 N 0.00 1.26 -0.00 -2.88 2.02 -0.09 -2.31 112.91 110.90 2jq6 h THR 59 Ca -0.00 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 65.98 2jq6 h THR 59 Cb 0.87 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 2jq6 h THR 59 CO 0.03 0.39 -0.12 0.18 0.37 0.00 0.00 175.52 176.37 2jq6 n LEU 60 N -4.15 0.57 -2.25 2.58 4.77 -0.19 -5.00 117.00 113.33 2jq6 n LEU 60 Ca 0.00 -0.05 -0.02 0.00 -0.03 0.00 0.00 56.01 55.92 2jq6 n LEU 60 Cb 0.38 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 2jq6 n LEU 60 CO 0.42 0.10 -0.39 -0.24 -1.33 0.00 0.00 177.39 175.96 2jq6 n SER 61 N -0.87 -3.26 -4.75 -1.43 2.88 -0.87 -5.00 113.62 100.31 2jq6 n SER 61 Ca 0.15 0.91 -0.40 0.00 -1.33 0.00 0.00 58.87 58.19 2jq6 n SER 61 Cb 0.28 -3.81 -0.06 0.00 -0.75 0.00 0.00 64.21 59.88 2jq6 n SER 61 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2jq6 s PRO 62 N -0.92 4.76 -0.26 -1.46 0.04 -1.24 -4.82 135.00 131.10 2jq6 s PRO 62 Ca -0.10 1.40 -0.11 0.00 0.04 0.00 0.00 61.00 62.23 2jq6 s PRO 62 Cb 0.01 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.20 2jq6 s PRO 62 CO 0.52 0.47 0.18 0.14 0.04 0.00 0.00 177.00 178.34 2jq6 s VAL 63 N -0.92 5.33 -1.75 -0.36 -7.23 0.12 -4.36 120.40 111.23 2jq6 s VAL 63 Ca 0.41 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.76 2jq6 s VAL 63 Cb -0.25 -3.52 0.00 0.00 0.56 0.00 0.00 36.38 33.17 2jq6 s VAL 63 CO 0.30 0.29 0.00 0.59 -0.31 0.00 0.00 175.10 175.97 2jq6 n ASN 64 N 4.75 -5.19 0.00 4.85 3.02 -1.26 -2.13 115.26 119.30 2jq6 n ASN 64 Ca -0.14 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2jq6 n ASN 64 Cb 0.52 -4.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.42 2jq6 n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jq6 n GLY 65 N -0.87 0.83 3.38 7.41 0.00 -1.26 -5.06 105.19 109.61 2jq6 n GLY 65 Ca -0.19 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 2jq6 n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jq6 s LYS 66 N -0.66 0.92 0.13 1.61 0.00 -0.90 -4.04 119.74 116.80 2jq6 s LYS 66 Ca 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 55.97 55.59 2jq6 s LYS 66 Cb 0.00 0.42 -0.07 0.00 0.00 0.00 0.00 37.83 38.18 2jq6 s LYS 66 CO 0.00 -0.29 0.94 0.96 0.00 0.00 0.00 175.35 176.95 2jq6 s ILE 67 N -1.71 4.42 0.19 3.79 -4.36 0.49 0.14 121.20 124.17 2jq6 s ILE 67 Ca -0.10 2.03 -0.32 0.00 -0.26 0.00 0.00 60.65 62.01 2jq6 s ILE 67 Cb -0.02 -4.30 -0.12 0.00 1.25 0.00 0.00 42.46 39.27 2jq6 s ILE 67 CO 0.04 0.37 1.76 0.42 0.24 0.00 0.00 174.94 177.76 2jq6 s THR 68 N -0.29 2.13 0.55 8.37 -4.23 -1.26 -1.67 115.64 119.24 2jq6 s THR 68 Ca 0.45 0.00 0.33 0.00 -1.18 0.00 0.00 61.69 61.29 2jq6 s THR 68 Cb -0.24 -3.00 0.50 0.00 1.34 0.00 0.00 72.50 71.10 2jq6 s THR 68 CO 0.30 0.00 1.85 1.23 -0.54 0.00 0.00 174.62 177.45 2jq6 h GLY 69 N 7.28 0.00 0.23 3.99 0.00 -0.98 0.15 103.07 113.74 2jq6 h GLY 69 Ca -0.44 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.09 2jq6 h GLY 69 CO 0.96 0.00 0.61 0.00 0.00 0.00 0.00 176.54 178.11 2jq6 h ALA 70 N 1.47 2.04 0.07 3.60 0.00 -1.89 0.24 119.26 124.79 2jq6 h ALA 70 Ca 0.45 0.04 -0.26 0.00 0.00 0.00 0.00 54.91 55.14 2jq6 h ALA 70 Cb 1.87 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 2jq6 h ALA 70 CO -0.00 -0.35 -1.28 -2.95 0.00 0.00 0.00 179.25 174.66 2jq6 h ASN 71 N 0.53 0.23 -0.02 0.00 7.08 -1.32 -1.57 115.58 120.51 2jq6 h ASN 71 Ca 0.51 -0.28 -0.14 0.00 -3.08 0.00 0.00 56.30 53.31 2jq6 h ASN 71 Cb 1.09 -0.08 -0.01 0.00 -2.08 0.00 0.00 38.32 37.25 2jq6 h ASN 71 CO -0.24 1.23 -0.44 0.00 -2.08 0.00 0.00 177.43 175.89 2jq6 h ALA 72 N 0.74 0.82 -0.49 4.14 0.00 -1.40 -1.69 119.26 121.38 2jq6 h ALA 72 Ca -0.14 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.23 2jq6 h ALA 72 Cb 1.92 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 2jq6 h ALA 72 CO 0.16 0.66 -0.06 0.87 0.00 0.00 0.00 179.25 180.87 2jq6 h LYS 73 N 0.45 0.86 -0.39 0.00 1.79 -0.57 -1.73 116.57 116.98 2jq6 h LYS 73 Ca 0.03 -0.27 0.06 0.00 -2.18 0.00 0.00 60.65 58.30 2jq6 h LYS 73 Cb 0.95 -0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 31.47 2jq6 h LYS 73 CO 0.08 0.89 0.06 -0.22 -1.08 0.00 0.00 179.45 179.19 2jq6 h LYS 74 N 0.78 0.18 0.16 3.15 1.63 -0.71 0.20 116.57 121.96 2jq6 h LYS 74 Ca 0.14 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 2jq6 h LYS 74 Cb 0.55 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 2jq6 h LYS 74 CO 0.03 0.12 -0.08 0.93 -3.45 0.00 0.00 179.45 177.00 2jq6 h GLU 75 N 0.18 -0.21 0.00 1.90 4.39 -1.01 -0.74 114.58 119.09 2jq6 h GLU 75 Ca 0.19 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.88 2jq6 h GLU 75 Cb 0.24 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2jq6 h GLU 75 CO -0.26 -0.00 -0.12 0.00 -1.16 0.00 0.00 179.01 177.46 2jq6 h MET 76 N -0.39 0.00 -0.01 2.33 -0.00 -1.13 -1.67 114.93 114.06 2jq6 h MET 76 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.67 2jq6 h MET 76 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.91 2jq6 h MET 76 CO 0.04 0.12 -0.03 0.28 -0.00 0.00 0.00 176.91 177.32 2jq6 h VAL 77 N 0.00 1.46 0.00 -0.10 2.07 -0.33 -3.18 116.25 116.17 2jq6 h VAL 77 Ca -0.00 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.11 2jq6 h VAL 77 Cb 0.49 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 2jq6 h VAL 77 CO 0.02 0.37 0.00 2.29 0.02 0.00 0.00 177.57 180.27 2jq6 n LYS 78 N -4.77 0.04 0.00 1.57 2.85 -0.31 -1.03 118.16 116.53 2jq6 n LYS 78 Ca -0.09 0.23 0.10 0.00 -1.05 0.00 0.00 58.31 57.50 2jq6 n LYS 78 Cb 0.31 -1.50 0.60 0.00 -0.65 0.00 0.00 35.03 33.79 2jq6 n LYS 78 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2jq6 n SER 79 N -1.46 0.00 -2.05 -5.58 2.88 -0.66 -4.90 113.62 101.85 2jq6 n SER 79 Ca 0.04 -0.70 -0.01 0.00 -1.33 0.00 0.00 58.87 56.87 2jq6 n SER 79 Cb 0.16 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 2jq6 n SER 79 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jq6 n LYS 80 N -0.97 -0.52 -4.11 -1.46 5.02 -0.19 -5.08 118.16 110.85 2jq6 n LYS 80 Ca 0.15 0.74 -0.08 0.00 -2.02 0.00 0.00 58.31 57.10 2jq6 n LYS 80 Cb 0.07 -2.98 -0.10 0.00 -0.02 0.00 0.00 35.03 32.00 2jq6 n LYS 80 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jq6 s LEU 81 N -2.91 2.49 0.82 -0.35 1.43 -1.24 -5.11 118.68 113.81 2jq6 s LEU 81 Ca 0.03 -0.99 -0.12 0.00 -1.03 0.00 0.00 54.13 52.02 2jq6 s LEU 81 Cb -0.00 0.11 0.09 0.00 0.03 0.00 0.00 46.19 46.41 2jq6 s LEU 81 CO 0.26 -0.55 1.15 -2.16 0.23 0.00 0.00 176.35 175.28 2jq6 s PRO 82 N -3.82 1.87 0.49 1.29 0.04 -1.26 -4.90 135.00 128.72 2jq6 s PRO 82 Ca 0.08 0.28 0.21 0.00 0.04 0.00 0.00 61.00 61.60 2jq6 s PRO 82 Cb 0.07 -1.92 1.26 0.00 0.04 0.00 0.00 34.50 33.94 2jq6 s PRO 82 CO -0.08 -1.69 2.06 -0.91 0.04 0.00 0.00 177.00 176.41 2jq6 h ASN 83 N -1.13 0.00 0.24 6.66 -0.26 -2.01 -1.87 115.58 117.21 2jq6 h ASN 83 Ca -0.47 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.26 2jq6 h ASN 83 Cb 1.31 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.57 2jq6 h ASN 83 CO 0.64 0.13 -0.11 0.74 -1.06 0.00 0.00 177.43 177.77 2jq6 h THR 84 N 0.00 0.80 -0.68 2.81 2.02 -1.99 0.79 112.91 116.66 2jq6 h THR 84 Ca -0.00 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 2jq6 h THR 84 Cb 0.28 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 2jq6 h THR 84 CO 0.02 0.05 0.32 0.58 0.37 0.00 0.00 175.52 176.85 2jq6 h VAL 85 N -0.42 1.23 -0.52 3.16 2.07 -1.87 -1.83 116.25 118.06 2jq6 h VAL 85 Ca -0.03 -0.66 0.10 0.00 0.82 0.00 0.00 66.70 66.93 2jq6 h VAL 85 Cb 0.32 0.41 -0.10 0.00 -1.52 0.00 0.00 31.29 30.40 2jq6 h VAL 85 CO 0.05 0.27 -0.13 -0.07 0.02 0.00 0.00 177.57 177.71 2jq6 h LEU 86 N 0.95 -0.49 -0.29 2.57 -0.00 -1.15 0.91 115.31 117.80 2jq6 h LEU 86 Ca 0.23 0.16 -0.06 0.00 -0.00 0.00 0.00 57.88 58.21 2jq6 h LEU 86 Cb 0.14 0.33 -0.01 0.00 -0.00 0.00 0.00 40.66 41.11 2jq6 h LEU 86 CO -0.03 -0.17 -0.05 1.23 -0.00 0.00 0.00 178.44 179.42 2jq6 h GLY 87 N -0.00 0.59 1.90 0.83 0.00 -0.30 -1.17 103.07 104.92 2jq6 h GLY 87 Ca 0.25 -0.47 -0.19 0.00 0.00 0.00 0.00 47.33 46.92 2jq6 h GLY 87 CO -0.54 0.43 -0.87 0.07 0.00 0.00 0.00 176.54 175.64 2jq6 h LYS 88 N 0.31 0.09 -0.26 4.80 2.10 -1.12 -1.59 116.57 120.90 2jq6 h LYS 88 Ca 0.08 -0.10 -0.03 0.00 -2.00 0.00 0.00 60.65 58.59 2jq6 h LYS 88 Cb 0.52 0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.87 2jq6 h LYS 88 CO 0.02 0.90 0.05 0.82 -2.00 0.00 0.00 179.45 179.24 2jq6 h ILE 89 N 0.05 1.22 0.11 0.07 2.04 -0.82 -0.97 117.51 119.20 2jq6 h ILE 89 Ca -0.03 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.11 2jq6 h ILE 89 Cb 1.51 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 38.75 2jq6 h ILE 89 CO 0.12 0.24 -0.39 -0.25 0.00 0.00 0.00 178.15 177.87 2jq6 h TRP 90 N 0.25 -1.10 0.00 1.37 2.91 -1.07 -1.87 115.95 116.44 2jq6 h TRP 90 Ca 0.08 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.13 2jq6 h TRP 90 Cb 0.31 0.47 0.00 0.00 -0.51 0.00 0.00 29.16 29.43 2jq6 h TRP 90 CO 0.02 -0.50 0.00 1.63 -1.03 0.00 0.00 178.44 178.56 2jq6 n LYS 91 N -5.45 0.05 0.08 2.65 5.02 -0.61 0.11 118.16 120.00 2jq6 n LYS 91 Ca -0.07 0.06 0.05 0.00 -2.02 0.00 0.00 58.31 56.33 2jq6 n LYS 91 Cb 0.37 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 2jq6 n LYS 91 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2jq6 h LEU 92 N 0.00 0.00 0.00 -0.35 5.85 -0.81 -3.39 115.31 116.61 2jq6 h LEU 92 Ca 0.00 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.40 2jq6 h LEU 92 Cb 0.42 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 2jq6 h LEU 92 CO 0.00 0.33 -2.20 0.00 -0.34 0.00 0.00 178.44 176.23 2jq6 n ALA 93 N -2.28 1.55 -2.66 1.25 0.00 -0.74 -4.71 120.51 112.92 2jq6 n ALA 93 Ca -0.04 -0.92 -0.43 0.00 0.00 0.00 0.00 53.44 52.04 2jq6 n ALA 93 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.16 2jq6 n ALA 93 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jq6 n ASP 94 N -3.08 4.99 0.06 0.00 2.03 0.30 -4.77 116.55 116.09 2jq6 n ASP 94 Ca -0.37 -2.94 0.04 0.00 0.52 0.00 0.00 54.79 52.04 2jq6 n ASP 94 Cb 0.91 -1.68 0.44 0.00 -0.72 0.00 0.00 41.12 40.07 2jq6 n ASP 94 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2jq6 h VAL 95 N 5.15 1.11 0.00 5.18 -1.51 -1.83 -2.48 116.25 121.87 2jq6 h VAL 95 Ca 0.41 -0.34 -0.09 0.00 -1.23 0.00 0.00 66.70 65.45 2jq6 h VAL 95 Cb 0.85 0.76 -0.01 0.00 -2.13 0.00 0.00 31.29 30.76 2jq6 h VAL 95 CO 1.41 0.13 -0.44 -2.24 -1.23 0.00 0.00 177.57 175.20 2jq6 h ASP 96 N 0.41 0.00 -6.53 4.19 2.03 -1.92 -3.48 116.42 111.12 2jq6 h ASP 96 Ca 0.10 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.90 2jq6 h ASP 96 Cb 0.07 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.51 2jq6 h ASP 96 CO -0.01 0.44 -0.90 0.29 -1.03 0.00 0.00 179.24 178.03 2jq6 n LYS 97 N -3.26 -2.97 -0.00 4.15 5.02 -0.93 -4.86 118.16 115.31 2jq6 n LYS 97 Ca 0.02 0.38 0.05 0.00 -2.02 0.00 0.00 58.31 56.73 2jq6 n LYS 97 Cb 0.67 -4.40 -0.06 0.00 -0.02 0.00 0.00 35.03 31.22 2jq6 n LYS 97 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2jq6 n ASP 98 N -2.95 0.65 0.00 4.39 5.75 -1.26 -4.99 116.55 118.14 2jq6 n ASP 98 Ca -0.30 -0.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.81 2jq6 n ASP 98 Cb 0.68 1.04 0.00 0.00 -1.03 0.00 0.00 41.12 41.81 2jq6 n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jq6 n GLY 99 N 1.29 1.37 3.57 6.12 0.00 -1.26 -5.04 105.19 111.24 2jq6 n GLY 99 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 2jq6 n GLY 99 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jq6 s LEU 100 N 0.00 0.28 -0.12 0.99 0.05 -1.26 -0.29 118.68 118.34 2jq6 s LEU 100 Ca 0.00 -0.80 -0.04 0.00 0.05 0.00 0.00 54.13 53.34 2jq6 s LEU 100 Cb 0.00 1.88 0.06 0.00 -2.05 0.00 0.00 46.19 46.08 2jq6 s LEU 100 CO 0.00 -1.11 0.21 -0.76 -0.55 0.00 0.00 176.35 174.14 2jq6 s LEU 101 N -2.97 -0.18 0.00 1.48 1.43 -0.67 -4.84 118.68 112.93 2jq6 s LEU 101 Ca 0.18 0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 53.62 2jq6 s LEU 101 Cb -0.01 0.47 0.07 0.00 0.03 0.00 0.00 46.19 46.75 2jq6 s LEU 101 CO 0.05 -0.25 0.42 -0.90 0.23 0.00 0.00 176.35 175.91 2jq6 n ASP 102 N 5.34 0.10 -0.24 2.29 5.68 -1.26 -0.38 116.55 128.08 2jq6 n ASP 102 Ca -0.05 -1.19 0.09 0.00 -0.50 0.00 0.00 54.79 53.13 2jq6 n ASP 102 Cb 0.50 -0.32 0.35 0.00 -1.14 0.00 0.00 41.12 40.51 2jq6 n ASP 102 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 2jq6 h ASP 103 N -0.52 0.68 0.85 -1.12 3.58 -1.98 0.32 116.42 118.23 2jq6 h ASP 103 Ca -0.14 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.27 2jq6 h ASP 103 Cb 0.40 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 2jq6 h ASP 103 CO 0.10 0.40 -1.20 1.21 -2.88 0.00 0.00 179.24 176.88 2jq6 n GLU 104 N -4.52 0.61 0.12 0.28 4.07 -1.26 -1.99 120.64 117.95 2jq6 n GLU 104 Ca 0.14 0.14 -0.03 0.00 -0.06 0.00 0.00 57.16 57.35 2jq6 n GLU 104 Cb 0.35 -1.81 0.11 0.00 -0.06 0.00 0.00 31.44 30.03 2jq6 n GLU 104 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2jq6 h GLU 105 N 0.00 0.04 0.04 5.31 5.08 -1.42 0.72 114.58 124.35 2jq6 h GLU 105 Ca -0.06 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.04 2jq6 h GLU 105 Cb 1.20 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 2jq6 h GLU 105 CO 0.02 0.71 -1.01 0.35 -1.00 0.00 0.00 179.01 178.08 2jq6 h PHE 106 N 0.03 0.42 -0.41 4.33 3.04 -0.52 0.72 116.94 124.55 2jq6 h PHE 106 Ca -0.01 -0.26 0.08 0.00 3.98 0.00 0.00 57.97 61.76 2jq6 h PHE 106 Cb 1.22 -0.04 -0.07 0.00 2.56 0.00 0.00 35.95 39.62 2jq6 h PHE 106 CO 0.00 1.12 -0.00 0.00 -2.02 0.00 0.00 178.31 177.41 2jq6 h ALA 107 N 0.79 0.37 -0.00 2.41 0.00 -0.87 0.99 119.26 122.96 2jq6 h ALA 107 Ca -0.08 0.12 -0.26 0.00 0.00 0.00 0.00 54.91 54.70 2jq6 h ALA 107 Cb 1.68 0.21 0.02 0.00 0.00 0.00 0.00 17.79 19.69 2jq6 h ALA 107 CO 0.16 -0.39 -1.02 1.25 0.00 0.00 0.00 179.25 179.25 2jq6 h LEU 108 N 0.10 0.84 -0.07 0.00 5.85 -0.90 -1.92 115.31 119.22 2jq6 h LEU 108 Ca 0.20 -0.67 0.04 0.00 0.84 0.00 0.00 57.88 58.29 2jq6 h LEU 108 Cb 0.29 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 2jq6 h LEU 108 CO -0.34 1.47 -0.38 0.00 -0.34 0.00 0.00 178.44 178.84 2jq6 h ALA 109 N 0.48 -0.55 0.00 1.25 0.00 -0.31 0.30 119.26 120.43 2jq6 h ALA 109 Ca -0.12 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2jq6 h ALA 109 Cb 1.67 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 20.15 2jq6 h ALA 109 CO 0.20 -0.89 -0.29 -0.97 0.00 0.00 0.00 179.25 177.29 2jq6 h ASN 110 N -0.50 0.00 -0.25 0.00 -1.24 -0.91 -1.96 115.58 110.72 2jq6 h ASN 110 Ca 0.07 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.96 2jq6 h ASN 110 Cb 0.61 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.66 2jq6 h ASN 110 CO -0.34 0.29 -0.31 -0.74 -1.29 0.00 0.00 177.43 175.04 2jq6 h HIS 111 N 0.00 0.80 -0.08 0.67 2.76 -0.56 -1.34 115.15 117.40 2jq6 h HIS 111 Ca -0.00 -0.26 -0.08 0.00 -2.20 0.00 0.00 60.37 57.83 2jq6 h HIS 111 Cb 0.91 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.69 2jq6 h HIS 111 CO 0.00 1.00 -0.31 -0.07 -1.30 0.00 0.00 177.93 177.25 2jq6 h LEU 112 N 0.38 0.15 -0.43 0.26 3.38 -0.21 0.18 115.31 119.02 2jq6 h LEU 112 Ca 0.03 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jq6 h LEU 112 Cb 0.89 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2jq6 h LEU 112 CO 0.07 0.46 0.27 0.40 0.09 0.00 0.00 178.44 179.74 2jq6 h ILE 113 N 0.14 1.13 -0.65 1.22 2.04 -1.18 -1.05 117.51 119.17 2jq6 h ILE 113 Ca 0.02 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 2jq6 h ILE 113 Cb 0.62 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2jq6 h ILE 113 CO 0.05 0.13 0.09 0.50 0.00 0.00 0.00 178.15 178.92 2jq6 h LYS 114 N 0.58 1.08 -0.47 2.37 3.64 -0.27 -2.23 116.57 121.26 2jq6 h LYS 114 Ca 0.16 -0.29 0.05 0.00 -1.27 0.00 0.00 60.65 59.29 2jq6 h LYS 114 Cb -0.01 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.64 2jq6 h LYS 114 CO -0.03 1.00 0.21 0.28 -2.27 0.00 0.00 179.45 178.63 2jq6 h VAL 115 N 1.00 0.92 0.00 2.00 2.07 -0.34 0.14 116.25 122.03 2jq6 h VAL 115 Ca 0.20 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.51 2jq6 h VAL 115 Cb 0.46 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2jq6 h VAL 115 CO 0.02 0.08 -0.29 0.07 0.02 0.00 0.00 177.57 177.46 2jq6 h LYS 116 N 0.41 0.00 0.00 1.57 2.10 -1.09 -2.23 116.57 117.33 2jq6 h LYS 116 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 2jq6 h LYS 116 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 2jq6 h LYS 116 CO -0.17 0.29 -0.08 1.25 -2.00 0.00 0.00 179.45 178.74 2jq6 h LEU 117 N 0.00 0.00 0.00 7.07 5.85 -0.46 -3.09 115.31 124.68 2jq6 h LEU 117 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2jq6 h LEU 117 Cb 0.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.60 2jq6 h LEU 117 CO 0.04 0.01 0.00 -0.62 -0.34 0.00 0.00 178.44 177.52 2jq6 n GLU 118 N -2.65 0.77 0.00 1.25 1.02 0.30 -4.81 120.64 116.52 2jq6 n GLU 118 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2jq6 n GLU 118 Cb 0.48 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 2jq6 n GLU 118 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jq6 n GLY 119 N 0.53 0.94 2.84 0.62 0.00 -1.17 -5.08 105.19 103.87 2jq6 n GLY 119 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 2jq6 n GLY 119 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jq6 s HIS 120 N -2.00 -0.01 0.84 1.61 -3.43 -1.24 -5.09 115.29 105.97 2jq6 s HIS 120 Ca 0.00 0.12 -0.11 0.00 -0.80 0.00 0.00 55.06 54.27 2jq6 s HIS 120 Cb 0.00 -0.11 0.09 0.00 -1.43 0.00 0.00 32.58 31.14 2jq6 s HIS 120 CO 0.00 -0.06 1.09 -1.83 -2.00 0.00 0.00 174.74 171.94 2jq6 s GLU 121 N 0.56 1.75 0.19 -0.38 -1.05 -1.26 -3.43 118.70 115.09 2jq6 s GLU 121 Ca -0.05 0.84 -0.30 0.00 -0.15 0.00 0.00 54.97 55.32 2jq6 s GLU 121 Cb -0.07 -1.86 -0.09 0.00 -0.44 0.00 0.00 34.13 31.67 2jq6 s GLU 121 CO -0.02 -1.90 1.30 -0.51 0.95 0.00 0.00 175.26 175.08 2jq6 s LEU 122 N -6.01 4.42 -0.08 1.83 1.43 -1.26 -4.91 118.68 114.10 2jq6 s LEU 122 Ca 0.62 2.38 0.12 0.00 -1.03 0.00 0.00 54.13 56.23 2jq6 s LEU 122 Cb -0.17 -3.61 0.49 0.00 0.03 0.00 0.00 46.19 42.93 2jq6 s LEU 122 CO 0.56 -0.52 1.35 -0.81 0.23 0.00 0.00 176.35 177.16 2jq6 n PRO 123 N 2.65 2.85 -1.54 1.29 -0.04 -1.26 -4.88 135.00 134.07 2jq6 n PRO 123 Ca 0.06 -1.93 -0.18 0.00 -0.04 0.00 0.00 63.50 61.41 2jq6 n PRO 123 Cb 0.43 -1.69 -0.08 0.00 -0.04 0.00 0.00 33.50 32.12 2jq6 n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jq6 n ALA 124 N 0.69 -0.28 -2.83 0.55 0.00 -1.26 -4.95 120.51 112.43 2jq6 n ALA 124 Ca 0.17 0.30 -0.40 0.00 0.00 0.00 0.00 53.44 53.51 2jq6 n ALA 124 Cb 0.64 -1.92 -0.11 0.00 0.00 0.00 0.00 19.45 18.06 2jq6 n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jq6 s ASP 125 N -2.76 5.69 -0.42 0.00 -1.08 -1.26 -5.04 116.67 111.79 2jq6 s ASP 125 Ca 0.00 -0.86 -0.04 0.00 -0.52 0.00 0.00 52.55 51.14 2jq6 s ASP 125 Cb 0.00 -2.02 0.11 0.00 -1.46 0.00 0.00 42.92 39.55 2jq6 s ASP 125 CO 0.00 -0.33 0.22 -0.22 0.52 0.00 0.00 175.17 175.36 2jq6 s LEU 126 N 1.57 5.31 0.44 -1.34 2.96 -1.26 -5.10 118.68 121.26 2jq6 s LEU 126 Ca 0.03 -2.01 -0.04 0.00 -0.22 0.00 0.00 54.13 51.89 2jq6 s LEU 126 Cb -0.19 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 2jq6 s LEU 126 CO 0.07 -0.56 0.72 -2.16 -1.32 0.00 0.00 176.35 173.10 2jq6 s PRO 127 N 1.17 3.54 0.00 0.98 0.05 -1.26 -4.94 135.00 134.54 2jq6 s PRO 127 Ca 0.08 0.08 0.00 0.00 0.05 0.00 0.00 61.00 61.21 2jq6 s PRO 127 Cb -0.23 -2.45 0.00 0.00 0.05 0.00 0.00 34.50 31.87 2jq6 s PRO 127 CO -0.04 -0.11 0.38 -0.35 0.05 0.00 0.00 177.00 176.93 2jq6 n PRO 128 N -2.09 0.41 -0.06 0.56 -0.04 -1.26 -2.11 135.00 130.41 2jq6 n PRO 128 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2jq6 n PRO 128 Cb 0.55 -1.28 -0.16 0.00 -0.04 0.00 0.00 33.50 32.57 2jq6 n PRO 128 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2jq6 n HIS 129 N 0.72 0.00 -0.37 0.54 8.25 -1.26 -4.64 115.22 118.45 2jq6 n HIS 129 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2jq6 n HIS 129 Cb 0.19 -0.75 0.00 0.00 1.12 0.00 0.00 29.99 30.55 2jq6 n HIS 129 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2jq6 n LEU 130 N -2.50 1.07 -4.67 2.41 4.77 -0.90 -4.38 117.00 112.81 2jq6 n LEU 130 Ca -0.19 -1.07 -0.43 0.00 -0.03 0.00 0.00 56.01 54.30 2jq6 n LEU 130 Cb 0.86 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.93 2jq6 n LEU 130 CO 0.44 0.27 1.14 0.54 -1.33 0.00 0.00 177.39 178.44 2jq6 s VAL 131 N -0.44 4.07 0.66 4.08 0.11 -1.24 -4.96 120.40 122.68 2jq6 s VAL 131 Ca 0.00 1.32 -0.17 0.00 -2.93 0.00 0.00 61.98 60.20 2jq6 s VAL 131 Cb 0.00 -3.85 -0.08 0.00 -1.53 0.00 0.00 36.38 30.92 2jq6 s VAL 131 CO 0.00 -0.09 0.31 -2.65 -3.33 0.00 0.00 175.10 169.34 2jq6 n PRO 132 N 6.46 0.28 -0.27 1.54 -0.02 -1.26 -4.52 135.00 137.21 2jq6 n PRO 132 Ca 0.14 0.12 -0.07 0.00 -2.02 0.00 0.00 63.50 61.67 2jq6 n PRO 132 Cb 0.44 -1.58 -0.03 0.00 -0.02 0.00 0.00 33.50 32.31 2jq6 n PRO 132 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2jq6 h PRO 133 N -0.20 -0.15 0.00 0.52 0.11 -1.94 0.18 132.00 130.53 2jq6 h PRO 133 Ca -0.45 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2jq6 h PRO 133 Cb 1.38 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.52 2jq6 h PRO 133 CO 0.42 -0.10 0.00 0.43 -0.21 0.00 0.00 178.00 178.54 2jq6 n SER 134 N -5.40 0.00 -0.01 -2.05 7.64 -1.26 -2.67 113.62 109.88 2jq6 n SER 134 Ca 0.03 0.03 0.01 0.00 1.01 0.00 0.00 58.87 59.95 2jq6 n SER 134 Cb 0.35 -0.23 0.01 0.00 -1.01 0.00 0.00 64.21 63.32 2jq6 n SER 134 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2jq6 n LYS 135 N -1.23 2.80 -2.42 1.43 0.00 0.63 -4.86 118.16 114.51 2jq6 n LYS 135 Ca 0.06 -1.53 -0.43 0.00 -0.00 0.00 0.00 58.31 56.41 2jq6 n LYS 135 Cb 0.08 -1.01 0.00 0.00 -0.00 0.00 0.00 35.03 34.10 2jq6 n LYS 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2jq6 n ARG 136 N -0.54 3.30 -3.62 -1.58 1.74 -1.09 -4.83 116.66 110.04 2jq6 n ARG 136 Ca 0.01 -3.36 -0.11 0.00 -0.77 0.00 0.00 57.85 53.62 2jq6 n ARG 136 Cb 0.28 -3.16 -0.07 0.00 -1.02 0.00 0.00 32.46 28.50 2jq6 n ARG 136 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2jq6 s ARG 137 N 2.12 0.63 -0.25 5.56 1.70 -1.26 -5.12 118.95 122.33 2jq6 s ARG 137 Ca 0.45 0.63 -0.00 0.00 -0.47 0.00 0.00 55.73 56.34 2jq6 s ARG 137 Cb 0.06 0.30 0.04 0.00 -0.57 0.00 0.00 34.95 34.78 2jq6 s ARG 137 CO -0.00 -0.10 -0.08 -1.58 -1.08 0.00 0.00 175.30 172.46 2jq6 s HIS 138 N 0.04 3.13 0.00 5.89 2.46 -1.26 -5.24 115.29 120.31 2jq6 s HIS 138 Ca 0.01 -1.84 0.00 0.00 0.47 0.00 0.00 55.06 53.70 2jq6 s HIS 138 Cb -0.04 -2.02 0.00 0.00 -0.13 0.00 0.00 32.58 30.39 2jq6 s HIS 138 CO -0.03 -0.79 0.00 0.39 -2.47 0.00 0.00 174.74 171.84