#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 -0.91 -6.49 1.61 0.11 -2.10 -3.44 132.00 120.78 2jq6 h PRO 2 Ca 0.00 0.06 -0.53 0.00 0.11 0.00 0.00 66.00 65.64 2jq6 h PRO 2 Cb 0.00 0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.28 2jq6 h PRO 2 CO 0.00 -0.58 0.03 -0.48 -0.21 0.00 0.00 178.00 176.76 2jq6 s LEU 3 N -9.78 4.30 0.00 2.35 2.34 -1.26 -4.17 118.68 112.46 2jq6 s LEU 3 Ca -0.16 1.26 0.00 0.00 0.06 0.00 0.00 54.13 55.29 2jq6 s LEU 3 Cb 0.02 -3.53 0.00 0.00 -0.56 0.00 0.00 46.19 42.12 2jq6 s LEU 3 CO 0.53 0.03 0.00 0.61 -1.06 0.00 0.00 176.35 176.46 2jq6 n GLY 4 N 0.59 1.85 3.53 -3.48 0.00 -1.26 -5.05 105.19 101.36 2jq6 n GLY 4 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2jq6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jq6 s SER 5 N -1.81 6.26 0.27 1.61 0.01 -1.26 -5.00 113.70 113.77 2jq6 s SER 5 Ca 0.00 -0.45 -0.30 0.00 1.31 0.00 0.00 55.95 56.51 2jq6 s SER 5 Cb 0.00 -2.49 -0.10 0.00 0.21 0.00 0.00 66.02 63.63 2jq6 s SER 5 CO 0.00 -1.52 1.44 -1.61 0.41 0.00 0.00 173.24 171.96 2jq6 s GLU 6 N 4.74 4.26 -0.36 12.44 0.41 -1.26 -4.96 118.70 133.96 2jq6 s GLU 6 Ca 0.32 2.33 -0.21 0.00 -0.41 0.00 0.00 54.97 57.00 2jq6 s GLU 6 Cb -0.11 -3.09 0.01 0.00 -1.78 0.00 0.00 34.13 29.15 2jq6 s GLU 6 CO 0.17 -0.42 0.68 0.45 -0.49 0.00 0.00 175.26 175.65 2jq6 s SER 7 N 0.27 6.45 -0.01 -0.19 0.15 -1.26 -5.03 113.70 114.08 2jq6 s SER 7 Ca 0.58 0.17 0.04 0.00 0.70 0.00 0.00 55.95 57.45 2jq6 s SER 7 Cb -0.42 -2.35 -0.01 0.00 -1.71 0.00 0.00 66.02 61.53 2jq6 s SER 7 CO 0.46 -0.65 -0.14 -0.76 1.20 0.00 0.00 173.24 173.34 2jq6 s LEU 8 N 2.83 2.03 -0.00 3.45 1.43 -1.26 -5.13 118.68 122.03 2jq6 s LEU 8 Ca 0.26 -0.27 -0.26 0.00 -1.03 0.00 0.00 54.13 52.84 2jq6 s LEU 8 Cb -0.14 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.30 2jq6 s LEU 8 CO 0.16 0.17 0.79 -0.04 0.23 0.00 0.00 176.35 177.66 2jq6 s MET 9 N -0.36 4.50 0.00 1.70 -1.94 -1.26 -5.01 119.30 116.92 2jq6 s MET 9 Ca 0.05 1.08 0.00 0.00 -1.71 0.00 0.00 55.69 55.12 2jq6 s MET 9 Cb -0.06 -3.41 0.00 0.00 2.01 0.00 0.00 34.83 33.37 2jq6 s MET 9 CO -0.00 0.14 0.90 -2.30 -0.01 0.00 0.00 175.02 173.74 2jq6 n PRO 10 N 3.37 0.00 -3.09 2.03 -0.02 -1.26 -3.86 135.00 132.17 2jq6 n PRO 10 Ca -0.00 0.60 -0.45 0.00 -2.02 0.00 0.00 63.50 61.63 2jq6 n PRO 10 Cb 0.51 -1.40 -0.02 0.00 -0.02 0.00 0.00 33.50 32.57 2jq6 n PRO 10 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2jq6 s SER 11 N -2.40 6.71 -0.66 2.55 1.04 -1.26 -4.96 113.70 114.72 2jq6 s SER 11 Ca 0.00 -2.35 -0.11 0.00 0.48 0.00 0.00 55.95 53.97 2jq6 s SER 11 Cb 0.00 -2.32 0.17 0.00 0.10 0.00 0.00 66.02 63.97 2jq6 s SER 11 CO 0.00 -0.85 0.56 -1.58 0.98 0.00 0.00 173.24 172.35 2jq6 s GLN 12 N 1.61 3.02 -0.05 4.02 2.00 -1.25 -5.04 119.66 123.97 2jq6 s GLN 12 Ca 0.27 -2.20 0.07 0.00 -2.00 0.00 0.00 55.36 51.50 2jq6 s GLN 12 Cb -0.07 -4.14 -0.01 0.00 0.80 0.00 0.00 33.01 29.59 2jq6 s GLN 12 CO -0.09 -1.25 -0.25 0.54 -0.50 0.00 0.00 175.29 173.74 2jq6 s VAL 13 N 0.61 2.02 -0.25 1.34 0.11 -1.26 -5.11 120.40 117.86 2jq6 s VAL 13 Ca 0.13 -1.06 0.02 0.00 -2.93 0.00 0.00 61.98 58.13 2jq6 s VAL 13 Cb -0.19 -1.70 0.05 0.00 -1.53 0.00 0.00 36.38 33.00 2jq6 s VAL 13 CO -0.04 0.57 -0.12 0.54 -3.33 0.00 0.00 175.10 172.72 2jq6 s VAL 14 N -0.27 2.27 -1.08 2.04 0.11 -1.26 -5.03 120.40 117.19 2jq6 s VAL 14 Ca -0.00 -1.42 -0.06 0.00 -2.93 0.00 0.00 61.98 57.56 2jq6 s VAL 14 Cb -0.13 -2.25 0.29 0.00 -1.53 0.00 0.00 36.38 32.77 2jq6 s VAL 14 CO 0.02 0.10 1.24 0.29 -3.33 0.00 0.00 175.10 173.43 2jq6 n LYS 15 N 4.50 3.86 -2.30 1.54 5.02 -1.26 -5.02 118.16 124.51 2jq6 n LYS 15 Ca -0.16 -4.51 -0.41 0.00 -2.02 0.00 0.00 58.31 51.21 2jq6 n LYS 15 Cb 0.44 -2.52 -0.03 0.00 -0.02 0.00 0.00 35.03 32.91 2jq6 n LYS 15 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2jq6 s GLY 16 N -0.14 0.81 -1.56 0.72 0.00 -1.26 -3.40 107.32 102.49 2jq6 s GLY 16 Ca 0.31 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.51 2jq6 s GLY 16 CO -0.00 2.93 0.00 0.61 0.00 0.00 0.00 173.10 176.64 2jq6 n GLY 17 N 5.32 0.34 3.02 0.20 0.00 -1.26 -4.98 105.19 107.83 2jq6 n GLY 17 Ca 0.15 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.77 1.61 -0.55 4.61 0.00 -1.22 -5.09 121.76 118.34 2jq6 s ALA 18 Ca 0.00 -0.70 -0.26 0.00 0.00 0.00 0.00 51.96 51.00 2jq6 s ALA 18 Cb 0.00 -0.86 0.04 0.00 0.00 0.00 0.00 23.12 22.30 2jq6 s ALA 18 CO 0.00 -0.18 1.05 0.12 0.00 0.00 0.00 175.76 176.75 2jq6 s PHE 19 N 1.18 2.73 -0.82 0.00 5.36 -1.26 -4.90 117.98 120.26 2jq6 s PHE 19 Ca -0.03 0.20 -0.19 0.00 -0.96 0.00 0.00 56.93 55.95 2jq6 s PHE 19 Cb -0.14 -4.25 0.12 0.00 -0.34 0.00 0.00 43.02 38.41 2jq6 s PHE 19 CO -0.04 -1.43 1.01 0.34 -1.46 0.00 0.00 175.22 173.64 2jq6 s ASP 20 N 2.84 6.49 -0.18 6.13 -1.08 -1.26 -5.01 116.67 124.60 2jq6 s ASP 20 Ca 0.36 -1.81 -0.05 0.00 -0.52 0.00 0.00 52.55 50.53 2jq6 s ASP 20 Cb -0.10 -2.37 -0.03 0.00 -1.46 0.00 0.00 42.92 38.95 2jq6 s ASP 20 CO 0.22 -1.10 -0.00 -0.83 0.52 0.00 0.00 175.17 173.98 2jq6 s GLY 21 N 3.52 1.76 -0.26 2.66 0.00 -1.26 -5.06 107.32 108.69 2jq6 s GLY 21 Ca 0.27 -0.86 -0.02 0.00 0.00 0.00 0.00 44.72 44.11 2jq6 s GLY 21 CO -0.04 0.06 0.30 -1.59 0.00 0.00 0.00 173.10 171.83 2jq6 s THR 22 N 0.57 -0.44 -0.24 0.90 2.01 -1.26 -5.12 115.64 112.06 2jq6 s THR 22 Ca -0.01 -0.29 -0.07 0.00 0.31 0.00 0.00 61.69 61.63 2jq6 s THR 22 Cb -0.14 -0.87 0.11 0.00 0.01 0.00 0.00 72.50 71.61 2jq6 s THR 22 CO 0.02 -0.31 0.50 0.00 -0.69 0.00 0.00 174.62 174.14 2jq6 s MET 23 N 2.40 0.42 -0.13 4.92 0.23 -1.26 -5.15 119.30 120.73 2jq6 s MET 23 Ca 0.09 1.13 -0.02 0.00 -1.03 0.00 0.00 55.69 55.87 2jq6 s MET 23 Cb -0.15 0.46 -0.03 0.00 -1.53 0.00 0.00 34.83 33.59 2jq6 s MET 23 CO -0.24 -0.28 -0.06 -0.80 -2.03 0.00 0.00 175.02 171.61 2jq6 s ASN 24 N 2.71 4.63 0.00 -1.18 0.02 -1.26 -4.64 114.94 115.23 2jq6 s ASN 24 Ca -0.01 -0.13 0.00 0.00 -1.02 0.00 0.00 52.86 51.70 2jq6 s ASN 24 Cb -0.12 -1.61 0.00 0.00 0.02 0.00 0.00 41.25 39.54 2jq6 s ASN 24 CO -0.15 0.22 0.00 0.61 0.02 0.00 0.00 177.10 177.79 2jq6 n GLY 25 N 3.20 1.40 0.18 0.66 0.00 -1.26 -5.06 105.19 104.31 2jq6 n GLY 25 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 2jq6 n GLY 25 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jq6 h PRO 26 N 1.07 -0.34 -5.59 1.61 0.11 -2.05 -3.45 132.00 123.35 2jq6 h PRO 26 Ca 0.00 0.02 -0.52 0.00 0.11 0.00 0.00 66.00 65.61 2jq6 h PRO 26 Cb 0.00 0.08 -0.28 0.00 0.11 0.00 0.00 31.00 30.91 2jq6 h PRO 26 CO 0.00 -0.04 -0.82 -0.06 -0.21 0.00 0.00 178.00 176.86 2jq6 s PHE 27 N -3.31 1.48 0.40 0.65 0.08 -1.26 -5.15 117.98 110.87 2jq6 s PHE 27 Ca -0.10 -0.30 0.08 0.00 0.12 0.00 0.00 56.93 56.72 2jq6 s PHE 27 Cb 0.01 -0.93 -0.03 0.00 -0.57 0.00 0.00 43.02 41.50 2jq6 s PHE 27 CO 0.35 0.00 0.32 0.20 -0.10 0.00 0.00 175.22 176.00 2jq6 s GLY 28 N -0.64 2.11 0.67 4.36 0.00 -1.26 -5.13 107.32 107.44 2jq6 s GLY 28 Ca 0.06 -1.89 -0.11 0.00 0.00 0.00 0.00 44.72 42.78 2jq6 s GLY 28 CO 0.00 -1.72 1.06 0.30 0.00 0.00 0.00 173.10 172.74 2jq6 s HIS 29 N -2.47 3.36 -0.59 1.90 3.76 -1.26 -4.91 115.29 115.09 2jq6 s HIS 29 Ca 0.45 1.02 -0.26 0.00 -0.15 0.00 0.00 55.06 56.12 2jq6 s HIS 29 Cb -0.02 -2.97 -0.10 0.00 1.11 0.00 0.00 32.58 30.60 2jq6 s HIS 29 CO 0.27 -1.05 2.43 0.41 -0.85 0.00 0.00 174.74 175.94 2jq6 n GLY 30 N -2.90 0.07 3.96 -2.22 0.00 -1.26 -4.94 105.19 97.90 2jq6 n GLY 30 Ca 0.06 0.59 -0.19 0.00 0.00 0.00 0.00 46.02 46.49 2jq6 n GLY 30 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jq6 s TYR 31 N 12.54 2.64 0.33 1.61 1.13 -1.26 -5.06 117.35 129.28 2jq6 s TYR 31 Ca 0.99 -0.47 -0.29 0.00 -1.41 0.00 0.00 57.07 55.89 2jq6 s TYR 31 Cb -0.22 -2.28 -0.11 0.00 -1.10 0.00 0.00 41.96 38.25 2jq6 s TYR 31 CO 0.24 -0.37 1.57 0.20 -2.51 0.00 0.00 175.55 174.68 2jq6 s GLY 32 N -4.29 2.40 0.22 5.49 0.00 -1.26 -4.91 107.32 104.97 2jq6 s GLY 32 Ca 0.52 1.59 -0.31 0.00 0.00 0.00 0.00 44.72 46.52 2jq6 s GLY 32 CO 0.31 2.47 1.66 -1.83 0.00 0.00 0.00 173.10 175.71 2jq6 s GLU 33 N -1.10 4.14 -0.12 2.90 -1.05 -1.26 -4.98 118.70 117.24 2jq6 s GLU 33 Ca 0.60 2.55 -0.04 0.00 -0.15 0.00 0.00 54.97 57.93 2jq6 s GLU 33 Cb -0.48 -3.08 -0.03 0.00 -0.44 0.00 0.00 34.13 30.10 2jq6 s GLU 33 CO 0.54 -0.69 0.02 0.20 0.95 0.00 0.00 175.26 176.28 2jq6 s GLY 34 N 0.98 1.87 0.38 -3.83 0.00 -1.26 -5.11 107.32 100.35 2jq6 s GLY 34 Ca 0.71 -0.78 0.01 0.00 0.00 0.00 0.00 44.72 44.66 2jq6 s GLY 34 CO 0.36 -0.31 0.58 0.00 0.00 0.00 0.00 173.10 173.73 2jq6 s ALA 35 N -0.36 3.75 -0.57 3.20 0.00 -1.26 -5.03 121.76 121.49 2jq6 s ALA 35 Ca 0.08 -0.99 -0.28 0.00 0.00 0.00 0.00 51.96 50.77 2jq6 s ALA 35 Cb -0.12 -2.09 0.01 0.00 0.00 0.00 0.00 23.12 20.92 2jq6 s ALA 35 CO 0.02 -0.13 1.51 0.20 0.00 0.00 0.00 175.76 177.37 2jq6 s GLY 36 N -4.10 0.76 0.58 0.00 0.00 -1.26 -4.99 107.32 98.30 2jq6 s GLY 36 Ca 0.43 -0.66 0.02 0.00 0.00 0.00 0.00 44.72 44.51 2jq6 s GLY 36 CO 0.36 2.94 0.79 -2.21 0.00 0.00 0.00 173.10 174.99 2jq6 n GLU 37 N 8.80 0.15 -1.70 2.90 0.00 -1.26 -4.95 120.64 124.58 2jq6 n GLU 37 Ca 0.14 -2.33 -0.42 0.00 0.00 0.00 0.00 57.16 54.55 2jq6 n GLU 37 Cb 0.50 -0.48 -0.01 0.00 0.00 0.00 0.00 31.44 31.45 2jq6 n GLU 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jq6 n GLY 38 N -1.26 3.81 3.72 8.31 0.00 -1.26 -4.93 105.19 113.58 2jq6 n GLY 38 Ca 0.14 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.34 2jq6 n GLY 38 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jq6 s ILE 39 N 3.83 2.51 -1.21 -0.61 -4.36 -1.26 -4.85 121.20 115.25 2jq6 s ILE 39 Ca 0.50 0.20 -0.21 0.00 -0.26 0.00 0.00 60.65 60.88 2jq6 s ILE 39 Cb 0.13 -2.57 -0.03 0.00 1.25 0.00 0.00 42.46 41.23 2jq6 s ILE 39 CO -0.03 -0.18 1.86 1.51 0.24 0.00 0.00 174.94 178.35 2jq6 s ASP 40 N -2.55 5.63 -0.38 4.36 -4.77 -1.26 -4.89 116.67 112.81 2jq6 s ASP 40 Ca 0.69 -1.87 -0.27 0.00 -3.30 0.00 0.00 52.55 47.79 2jq6 s ASP 40 Cb -0.24 -2.59 -0.06 0.00 -1.09 0.00 0.00 42.92 38.94 2jq6 s ASP 40 CO 0.51 -2.44 2.34 -0.67 0.70 0.00 0.00 175.17 175.61 2jq6 n ASP 41 N 12.40 2.68 -4.13 2.11 -0.08 -1.26 -4.93 116.55 123.34 2jq6 n ASP 41 Ca 0.46 -0.20 -0.35 0.00 -1.51 0.00 0.00 54.79 53.18 2jq6 n ASP 41 Cb 0.46 -1.56 -0.13 0.00 2.34 0.00 0.00 41.12 42.23 2jq6 n ASP 41 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2jq6 s VAL 42 N 10.57 3.04 -0.80 5.18 0.11 -1.26 -5.04 120.40 132.20 2jq6 s VAL 42 Ca 1.00 -1.85 -0.18 0.00 -2.93 0.00 0.00 61.98 58.02 2jq6 s VAL 42 Cb -0.26 -2.98 0.14 0.00 -1.53 0.00 0.00 36.38 31.75 2jq6 s VAL 42 CO 0.30 -0.47 0.91 -0.70 -3.33 0.00 0.00 175.10 171.82 2jq6 s GLU 43 N 1.15 3.43 -0.01 1.54 2.12 -1.26 -5.01 118.70 120.66 2jq6 s GLU 43 Ca 0.04 -1.79 0.06 0.00 0.36 0.00 0.00 54.97 53.64 2jq6 s GLU 43 Cb -0.21 -4.58 -0.02 0.00 0.26 0.00 0.00 34.13 29.58 2jq6 s GLU 43 CO -0.04 -1.58 -0.19 -0.46 -0.54 0.00 0.00 175.26 172.45 2jq6 s TRP 44 N 2.07 1.74 -0.64 5.30 -0.00 -1.26 -4.75 118.94 121.40 2jq6 s TRP 44 Ca 0.23 -0.33 0.11 0.00 -0.00 0.00 0.00 56.10 56.11 2jq6 s TRP 44 Cb -0.12 -1.12 0.58 0.00 -0.00 0.00 0.00 33.47 32.81 2jq6 s TRP 44 CO -0.04 -0.03 1.34 0.28 -0.00 0.00 0.00 176.95 178.50 2jq6 n VAL 45 N 2.58 1.48 0.39 5.86 0.31 -1.26 -1.21 118.33 126.48 2jq6 n VAL 45 Ca -0.15 0.57 0.12 0.00 -0.01 0.00 0.00 64.34 64.87 2jq6 n VAL 45 Cb 0.53 -1.55 0.26 0.00 -0.91 0.00 0.00 33.84 32.17 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 0.00 0.00 2.52 2.07 -1.95 -2.77 116.25 116.13 2jq6 h VAL 46 Ca 0.00 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2jq6 h VAL 46 Cb 0.03 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2jq6 h VAL 46 CO 0.00 0.00 0.00 1.23 0.02 0.00 0.00 177.57 178.82 2jq6 h GLY 47 N 4.23 0.00 0.00 2.17 0.00 -1.56 0.21 103.07 108.12 2jq6 h GLY 47 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 2jq6 h GLY 47 CO 0.00 0.00 -1.89 0.58 0.00 0.00 0.00 176.54 175.23 2jq6 n LYS 48 N -2.63 1.76 0.02 4.80 2.85 -1.17 -4.56 118.16 119.22 2jq6 n LYS 48 Ca -0.00 -0.01 0.12 0.00 -1.05 0.00 0.00 58.31 57.36 2jq6 n LYS 48 Cb 0.15 -1.34 0.23 0.00 -0.65 0.00 0.00 35.03 33.43 2jq6 n LYS 48 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2jq6 n ASP 49 N -2.46 0.54 -0.13 -5.58 8.00 -0.97 -4.36 116.55 111.59 2jq6 n ASP 49 Ca -0.20 -0.11 -0.05 0.00 0.71 0.00 0.00 54.79 55.13 2jq6 n ASP 49 Cb 0.90 0.22 0.02 0.00 -0.02 0.00 0.00 41.12 42.23 2jq6 n ASP 49 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2jq6 h LYS 50 N 0.00 -0.10 -0.98 -1.24 3.64 -0.83 -1.99 116.57 115.07 2jq6 h LYS 50 Ca 0.00 0.01 0.23 0.00 -1.27 0.00 0.00 60.65 59.62 2jq6 h LYS 50 Cb 0.58 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.34 2jq6 h LYS 50 CO 0.00 -0.06 0.64 -1.00 -2.27 0.00 0.00 179.45 176.75 2jq6 h PRO 51 N -0.10 0.40 -0.20 1.90 0.13 -1.85 0.40 132.00 132.68 2jq6 h PRO 51 Ca 0.21 -0.02 -0.20 0.00 -0.87 0.00 0.00 66.00 65.12 2jq6 h PRO 51 Cb 0.42 -0.09 0.01 0.00 0.13 0.00 0.00 31.00 31.47 2jq6 h PRO 51 CO -0.50 0.26 -0.64 1.15 -0.23 0.00 0.00 178.00 178.05 2jq6 h THR 52 N 0.41 1.29 0.00 1.56 2.02 -1.67 0.21 112.91 116.73 2jq6 h THR 52 Ca 0.53 -1.84 -0.07 0.00 0.77 0.00 0.00 66.41 65.80 2jq6 h THR 52 Cb 1.33 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 69.60 2jq6 h THR 52 CO -0.23 0.59 -0.32 1.88 0.37 0.00 0.00 175.52 177.80 2jq6 h TYR 53 N 0.53 0.00 0.08 3.16 0.05 -1.04 -2.58 116.97 117.17 2jq6 h TYR 53 Ca -0.02 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.50 2jq6 h TYR 53 Cb 1.26 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.99 2jq6 h TYR 53 CO 0.09 0.32 -1.20 0.22 -1.05 0.00 0.00 178.16 176.54 2jq6 h ASP 54 N 0.00 0.28 -0.05 3.88 1.82 -0.09 -1.32 116.42 120.94 2jq6 h ASP 54 Ca -0.00 -0.31 -0.13 0.00 -0.39 0.00 0.00 57.03 56.20 2jq6 h ASP 54 Cb 1.09 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 41.00 2jq6 h ASP 54 CO 0.04 1.24 -0.40 1.05 -1.61 0.00 0.00 179.24 179.56 2jq6 h GLU 55 N 0.05 0.57 0.00 0.28 4.11 -0.45 0.16 114.58 119.30 2jq6 h GLU 55 Ca -0.11 -0.29 -0.12 0.00 0.07 0.00 0.00 59.36 58.91 2jq6 h GLU 55 Cb 1.91 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.15 2jq6 h GLU 55 CO 0.17 0.87 -0.58 0.82 0.07 0.00 0.00 179.01 180.37 2jq6 h ILE 56 N 0.47 1.40 0.69 -1.06 2.04 -1.48 -2.51 117.51 117.05 2jq6 h ILE 56 Ca 0.04 -2.00 -0.03 0.00 1.00 0.00 0.00 64.86 63.86 2jq6 h ILE 56 Cb 0.90 2.09 0.01 0.00 -0.74 0.00 0.00 36.82 39.08 2jq6 h ILE 56 CO 0.08 0.57 -0.33 0.15 0.00 0.00 0.00 178.15 178.62 2jq6 h PHE 57 N 0.00 -0.86 0.00 1.37 3.57 -0.43 -1.74 116.94 118.85 2jq6 h PHE 57 Ca -0.01 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 2jq6 h PHE 57 Cb 1.04 0.28 -0.00 0.00 2.79 0.00 0.00 35.95 40.06 2jq6 h PHE 57 CO 0.00 -0.51 -0.05 1.88 -2.23 0.00 0.00 178.31 177.40 2jq6 h TYR 58 N -1.02 0.00 -0.04 0.41 -1.99 -1.04 -2.21 116.97 111.09 2jq6 h TYR 58 Ca -0.09 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.48 2jq6 h TYR 58 Cb 0.73 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.45 2jq6 h TYR 58 CO -0.01 0.05 -0.67 1.15 -0.00 0.00 0.00 178.16 178.67 2jq6 h THR 59 N 0.00 1.43 -0.03 -2.88 2.02 -1.05 -2.96 112.91 109.45 2jq6 h THR 59 Ca -0.00 -2.18 0.00 0.00 0.77 0.00 0.00 66.41 65.00 2jq6 h THR 59 Cb 0.24 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 2jq6 h THR 59 CO 0.01 0.64 0.00 0.18 0.37 0.00 0.00 175.52 176.71 2jq6 n LEU 60 N -3.80 0.76 -2.08 2.58 4.77 -0.69 -4.96 117.00 113.58 2jq6 n LEU 60 Ca -0.02 -0.28 -0.02 0.00 -0.03 0.00 0.00 56.01 55.67 2jq6 n LEU 60 Cb 0.66 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 2jq6 n LEU 60 CO 0.45 0.14 -0.12 -0.24 -1.33 0.00 0.00 177.39 176.28 2jq6 n SER 61 N -0.37 -4.74 -4.68 -1.43 2.88 -1.12 -4.99 113.62 99.18 2jq6 n SER 61 Ca 0.20 0.48 -0.42 0.00 -1.33 0.00 0.00 58.87 57.80 2jq6 n SER 61 Cb 0.22 -3.00 -0.03 0.00 -0.75 0.00 0.00 64.21 60.65 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 -1.16 4.35 -0.46 -1.46 0.04 -1.25 -4.85 135.00 130.20 2jq6 s PRO 62 Ca 0.05 1.25 -0.24 0.00 0.04 0.00 0.00 61.00 62.10 2jq6 s PRO 62 Cb -0.01 -3.57 0.03 0.00 0.04 0.00 0.00 34.50 30.98 2jq6 s PRO 62 CO 0.36 -0.37 0.84 0.08 0.04 0.00 0.00 177.00 177.94 2jq6 s VAL 63 N 2.26 4.58 -1.44 -0.36 1.01 -0.68 -3.85 120.40 121.91 2jq6 s VAL 63 Ca 0.44 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.93 2jq6 s VAL 63 Cb -0.17 -4.37 0.00 0.00 0.00 0.00 0.00 36.38 31.84 2jq6 s VAL 63 CO 0.14 -0.78 0.00 0.59 0.00 0.00 0.00 175.10 175.05 2jq6 n ASN 64 N 6.90 -4.65 0.00 3.32 5.03 -1.26 -3.29 115.26 121.31 2jq6 n ASN 64 Ca 0.03 0.22 0.00 0.00 0.87 0.00 0.00 54.58 55.70 2jq6 n ASN 64 Cb 0.48 -3.57 0.00 0.00 -1.02 0.00 0.00 39.78 35.67 2jq6 n ASN 64 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jq6 n GLY 65 N -1.12 1.33 3.57 7.41 0.00 -1.25 -5.07 105.19 110.06 2jq6 n GLY 65 Ca -0.16 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.66 0.78 0.06 1.61 0.00 -1.21 -3.83 119.74 115.50 2jq6 s LYS 66 Ca 0.00 0.35 -0.22 0.00 0.00 0.00 0.00 55.97 56.10 2jq6 s LYS 66 Cb 0.00 0.37 -0.06 0.00 0.00 0.00 0.00 37.83 38.14 2jq6 s LYS 66 CO 0.00 -0.21 0.67 0.96 0.00 0.00 0.00 175.35 176.77 2jq6 s ILE 67 N -0.77 4.71 0.11 3.79 -4.36 0.44 -1.69 121.20 123.42 2jq6 s ILE 67 Ca -0.04 1.43 -0.31 0.00 -0.26 0.00 0.00 60.65 61.47 2jq6 s ILE 67 Cb -0.01 -4.01 -0.10 0.00 1.25 0.00 0.00 42.46 39.58 2jq6 s ILE 67 CO 0.04 0.46 1.86 0.42 0.24 0.00 0.00 174.94 177.95 2jq6 s THR 68 N -0.57 2.61 0.51 8.37 -4.23 -1.26 -1.32 115.64 119.74 2jq6 s THR 68 Ca 0.33 0.03 0.34 0.00 -1.18 0.00 0.00 61.69 61.22 2jq6 s THR 68 Cb -0.20 -3.02 0.54 0.00 1.34 0.00 0.00 72.50 71.15 2jq6 s THR 68 CO 0.21 -0.00 1.76 1.23 -0.54 0.00 0.00 174.62 177.28 2jq6 h GLY 69 N 8.98 0.35 -0.63 3.99 0.00 -1.35 0.94 103.07 115.35 2jq6 h GLY 69 Ca -0.47 -0.05 0.14 0.00 0.00 0.00 0.00 47.33 46.96 2jq6 h GLY 69 CO 0.95 -0.06 -0.28 0.00 0.00 0.00 0.00 176.54 177.15 2jq6 h ALA 70 N 1.42 0.29 -0.03 3.60 0.00 -1.88 0.31 119.26 122.97 2jq6 h ALA 70 Ca 0.63 0.26 -0.12 0.00 0.00 0.00 0.00 54.91 55.68 2jq6 h ALA 70 Cb 2.31 0.74 -0.02 0.00 0.00 0.00 0.00 17.79 20.82 2jq6 h ALA 70 CO -0.10 -0.53 -0.55 -2.95 0.00 0.00 0.00 179.25 175.13 2jq6 h ASN 71 N -0.05 0.08 0.46 0.00 7.08 -1.17 0.60 115.58 122.59 2jq6 h ASN 71 Ca 0.33 -0.04 -0.14 0.00 -3.08 0.00 0.00 56.30 53.37 2jq6 h ASN 71 Cb 0.58 -0.02 -0.01 0.00 -2.08 0.00 0.00 38.32 36.78 2jq6 h ASN 71 CO -0.81 0.62 -0.61 0.00 -2.08 0.00 0.00 177.43 174.54 2jq6 h ALA 72 N 1.38 0.89 -0.28 4.14 0.00 -1.36 -1.48 119.26 122.56 2jq6 h ALA 72 Ca -0.00 -0.55 -0.12 0.00 0.00 0.00 0.00 54.91 54.24 2jq6 h ALA 72 Cb 0.99 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2jq6 h ALA 72 CO 0.08 0.74 -0.31 0.87 0.00 0.00 0.00 179.25 180.63 2jq6 h LYS 73 N 0.11 0.59 -0.17 0.00 1.79 0.54 -1.72 116.57 117.71 2jq6 h LYS 73 Ca -0.01 -0.26 0.01 0.00 -2.18 0.00 0.00 60.65 58.21 2jq6 h LYS 73 Cb 1.11 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.73 2jq6 h LYS 73 CO 0.09 0.83 0.09 0.87 -1.08 0.00 0.00 179.45 180.24 2jq6 h LYS 74 N 0.50 0.18 -0.08 3.15 1.79 -0.45 0.21 116.57 121.88 2jq6 h LYS 74 Ca 0.06 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.56 2jq6 h LYS 74 Cb 0.78 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.35 2jq6 h LYS 74 CO 0.06 0.12 -0.18 0.93 -1.08 0.00 0.00 179.45 179.31 2jq6 h GLU 75 N 0.19 -0.24 0.00 3.15 4.39 -1.02 0.14 114.58 121.18 2jq6 h GLU 75 Ca 0.07 0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.69 2jq6 h GLU 75 Cb 0.00 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2jq6 h GLU 75 CO -0.04 -0.16 -0.45 0.00 -1.16 0.00 0.00 179.01 177.20 2jq6 h MET 76 N -0.25 0.00 -0.30 2.33 -0.00 -1.18 -1.83 114.93 113.69 2jq6 h MET 76 Ca 0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.75 2jq6 h MET 76 Cb 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.95 2jq6 h MET 76 CO -0.22 0.45 0.08 0.28 -0.00 0.00 0.00 176.91 177.49 2jq6 h VAL 77 N 0.00 1.21 0.00 -0.10 2.07 0.06 -2.68 116.25 116.81 2jq6 h VAL 77 Ca -0.00 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2jq6 h VAL 77 Cb 0.82 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2jq6 h VAL 77 CO 0.06 0.23 0.00 2.29 0.02 0.00 0.00 177.57 180.17 2jq6 n LYS 78 N -4.67 0.20 0.09 1.57 2.85 0.42 0.02 118.16 118.63 2jq6 n LYS 78 Ca -0.02 0.35 0.09 0.00 -1.05 0.00 0.00 58.31 57.68 2jq6 n LYS 78 Cb 0.18 -1.83 0.41 0.00 -0.65 0.00 0.00 35.03 33.14 2jq6 n LYS 78 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2jq6 n SER 79 N -2.19 0.40 -1.72 -5.58 7.64 -0.71 -4.90 113.62 106.56 2jq6 n SER 79 Ca 0.03 0.63 -0.10 0.00 1.01 0.00 0.00 58.87 60.45 2jq6 n SER 79 Cb 0.28 -0.70 0.03 0.00 -1.01 0.00 0.00 64.21 62.81 2jq6 n SER 79 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2jq6 n LYS 80 N -1.98 -3.15 -4.02 1.43 5.02 0.10 -5.03 118.16 110.54 2jq6 n LYS 80 Ca 0.01 0.34 -0.22 0.00 -2.02 0.00 0.00 58.31 56.42 2jq6 n LYS 80 Cb 0.14 -3.89 -0.03 0.00 -0.02 0.00 0.00 35.03 31.23 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 -3.51 4.13 0.65 -0.35 2.01 -1.26 -5.10 118.68 115.26 2jq6 s LEU 81 Ca 0.23 -0.04 -0.16 0.00 0.01 0.00 0.00 54.13 54.17 2jq6 s LEU 81 Cb -0.10 -2.67 -0.00 0.00 0.01 0.00 0.00 46.19 43.42 2jq6 s LEU 81 CO 0.28 -0.05 1.16 -2.16 1.01 0.00 0.00 176.35 176.60 2jq6 s PRO 82 N -3.85 2.70 0.50 1.29 0.04 -1.26 -4.77 135.00 129.66 2jq6 s PRO 82 Ca 0.34 1.60 0.29 0.00 0.04 0.00 0.00 61.00 63.26 2jq6 s PRO 82 Cb -0.09 -1.92 1.39 0.00 0.04 0.00 0.00 34.50 33.92 2jq6 s PRO 82 CO 0.27 -1.36 1.84 -0.91 0.04 0.00 0.00 177.00 176.88 2jq6 h ASN 83 N 0.22 0.13 0.56 6.66 -0.26 -1.98 -0.58 115.58 120.33 2jq6 h ASN 83 Ca -0.48 0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.25 2jq6 h ASN 83 Cb 1.27 -0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.54 2jq6 h ASN 83 CO 0.53 0.03 -0.27 0.74 -1.06 0.00 0.00 177.43 177.41 2jq6 h THR 84 N 0.12 0.45 -0.54 2.81 2.02 -1.99 0.24 112.91 116.02 2jq6 h THR 84 Ca 0.50 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.66 2jq6 h THR 84 Cb 1.78 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 2jq6 h THR 84 CO -0.08 0.00 0.33 0.58 0.37 0.00 0.00 175.52 176.73 2jq6 h VAL 85 N -0.77 1.16 -0.00 3.16 2.07 -1.51 -2.18 116.25 118.17 2jq6 h VAL 85 Ca -0.08 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2jq6 h VAL 85 Cb 0.58 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2jq6 h VAL 85 CO 0.13 0.16 0.00 -0.07 0.02 0.00 0.00 177.57 177.81 2jq6 h LEU 86 N 0.72 0.00 -0.82 2.57 3.38 -1.13 0.68 115.31 120.72 2jq6 h LEU 86 Ca 0.19 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.24 2jq6 h LEU 86 Cb -0.03 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 2jq6 h LEU 86 CO -0.04 0.01 0.47 1.23 0.09 0.00 0.00 178.44 180.20 2jq6 h GLY 87 N 0.00 1.25 1.35 0.83 0.00 -0.35 0.46 103.07 106.62 2jq6 h GLY 87 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2jq6 h GLY 87 CO -0.00 0.16 -0.44 0.58 0.00 0.00 0.00 176.54 176.84 2jq6 n LYS 88 N -4.72 0.20 -0.06 4.80 2.85 -0.84 -1.97 118.16 118.43 2jq6 n LYS 88 Ca 0.13 0.08 -0.15 0.00 -1.05 0.00 0.00 58.31 57.33 2jq6 n LYS 88 Cb 0.24 -1.65 -0.07 0.00 -0.65 0.00 0.00 35.03 32.90 2jq6 n LYS 88 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 2jq6 h ILE 89 N 0.00 1.34 0.68 0.58 2.04 0.15 -2.05 117.51 120.24 2jq6 h ILE 89 Ca 0.00 -1.62 -0.03 0.00 1.00 0.00 0.00 64.86 64.21 2jq6 h ILE 89 Cb 0.67 1.92 0.01 0.00 -0.74 0.00 0.00 36.82 38.68 2jq6 h ILE 89 CO 0.00 0.50 -0.33 -0.25 0.00 0.00 0.00 178.15 178.07 2jq6 h TRP 90 N 0.23 -0.84 0.00 1.37 2.91 -0.89 -1.35 115.95 117.37 2jq6 h TRP 90 Ca 0.00 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.98 2jq6 h TRP 90 Cb 0.98 0.28 -0.00 0.00 -0.51 0.00 0.00 29.16 29.91 2jq6 h TRP 90 CO 0.09 -0.52 -0.09 0.87 -1.03 0.00 0.00 178.44 177.77 2jq6 h LYS 91 N -0.93 0.00 0.00 2.65 1.57 -1.48 0.67 116.57 119.05 2jq6 h LYS 91 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2jq6 h LYS 91 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 2jq6 h LYS 91 CO 0.15 0.09 -0.62 1.25 -0.57 0.00 0.00 179.45 179.75 2jq6 h LEU 92 N 0.00 0.00 0.05 2.94 5.85 -1.35 -3.37 115.31 119.43 2jq6 h LEU 92 Ca -0.00 -0.01 -0.34 0.00 0.84 0.00 0.00 57.88 58.36 2jq6 h LEU 92 Cb 0.68 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 2jq6 h LEU 92 CO 0.01 0.01 -1.94 0.00 -0.34 0.00 0.00 178.44 176.18 2jq6 n ALA 93 N -2.13 0.99 -2.53 1.25 0.00 -0.36 -4.40 120.51 113.34 2jq6 n ALA 93 Ca 0.02 -0.71 -0.43 0.00 0.00 0.00 0.00 53.44 52.31 2jq6 n ALA 93 Cb 0.54 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -3.83 5.02 0.00 0.00 2.03 0.22 -4.64 116.55 115.36 2jq6 n ASP 94 Ca -0.37 -3.03 0.07 0.00 0.52 0.00 0.00 54.79 51.98 2jq6 n ASP 94 Cb 0.91 -1.55 0.36 0.00 -0.72 0.00 0.00 41.12 40.12 2jq6 n ASP 94 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2jq6 n VAL 95 N 4.17 0.70 -0.01 5.18 0.31 -1.26 -1.14 118.33 126.29 2jq6 n VAL 95 Ca 0.40 0.18 -0.02 0.00 -0.01 0.00 0.00 64.34 64.89 2jq6 n VAL 95 Cb 0.40 -0.93 -0.12 0.00 -0.91 0.00 0.00 33.84 32.28 2jq6 n VAL 95 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2jq6 n ASP 96 N -1.35 0.51 -3.00 4.52 2.03 -1.26 -5.01 116.55 112.99 2jq6 n ASP 96 Ca 0.06 0.23 -0.03 0.00 0.52 0.00 0.00 54.79 55.57 2jq6 n ASP 96 Cb 0.13 0.63 0.00 0.00 -0.72 0.00 0.00 41.12 41.17 2jq6 n ASP 96 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2jq6 n LYS 97 N -2.77 -1.68 0.00 -0.67 5.02 -0.29 -4.98 118.16 112.79 2jq6 n LYS 97 Ca -0.15 1.70 0.00 0.00 -2.02 0.00 0.00 58.31 57.83 2jq6 n LYS 97 Cb 0.90 -5.68 0.00 0.00 -0.02 0.00 0.00 35.03 30.23 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 -1.29 2.93 0.00 4.39 5.68 -1.26 -5.03 116.55 121.97 2jq6 n ASP 98 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.33 2jq6 n ASP 98 Cb 0.49 0.48 0.00 0.00 -1.14 0.00 0.00 41.12 40.95 2jq6 n ASP 98 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jq6 n GLY 99 N 1.64 0.99 1.74 6.12 0.00 -1.26 -5.07 105.19 109.36 2jq6 n GLY 99 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2jq6 n GLY 99 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2jq6 n LEU 100 N 0.00 0.00 -3.43 0.99 -0.00 -1.26 -0.96 117.00 112.34 2jq6 n LEU 100 Ca 0.00 -1.66 -0.09 0.00 -0.00 0.00 0.00 56.01 54.26 2jq6 n LEU 100 Cb 0.00 1.02 -0.08 0.00 -0.00 0.00 0.00 43.42 44.36 2jq6 n LEU 100 CO 0.00 -0.30 -0.04 -0.76 -0.00 0.00 0.00 177.39 176.29 2jq6 s LEU 101 N 0.00 -0.64 0.00 1.47 1.43 -0.43 -4.76 118.68 115.75 2jq6 s LEU 101 Ca 0.20 0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 53.62 2jq6 s LEU 101 Cb 0.01 1.17 0.15 0.00 0.03 0.00 0.00 46.19 47.55 2jq6 s LEU 101 CO 0.14 -0.28 0.74 -0.90 0.23 0.00 0.00 176.35 176.28 2jq6 n ASP 102 N 5.37 -0.49 -0.03 2.29 5.68 -1.26 -0.42 116.55 127.69 2jq6 n ASP 102 Ca -0.05 -1.16 0.11 0.00 -0.50 0.00 0.00 54.79 53.20 2jq6 n ASP 102 Cb 0.50 -0.60 0.52 0.00 -1.14 0.00 0.00 41.12 40.41 2jq6 n ASP 102 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2jq6 h ASP 103 N -1.35 0.31 0.78 -1.12 3.04 -1.97 0.40 116.42 116.51 2jq6 h ASP 103 Ca -0.25 0.00 -0.23 0.00 -3.24 0.00 0.00 57.03 53.31 2jq6 h ASP 103 Cb 0.71 -0.06 -0.04 0.00 -1.04 0.00 0.00 39.33 38.90 2jq6 h ASP 103 CO 0.17 0.19 -1.32 -0.08 -2.04 0.00 0.00 179.24 176.16 2jq6 h GLU 104 N 0.35 0.00 -0.02 4.15 4.81 -1.93 -2.46 114.58 119.48 2jq6 h GLU 104 Ca 0.23 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.27 2jq6 h GLU 104 Cb 0.45 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2jq6 h GLU 104 CO -0.05 0.64 -0.83 0.93 -0.73 0.00 0.00 179.01 178.97 2jq6 h GLU 105 N 0.00 0.25 -0.55 1.92 5.08 -1.40 -1.52 114.58 118.35 2jq6 h GLU 105 Ca -0.15 -0.25 -0.11 0.00 -1.00 0.00 0.00 59.36 57.85 2jq6 h GLU 105 Cb 1.82 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 31.12 2jq6 h GLU 105 CO 0.09 0.95 -0.08 0.35 -1.00 0.00 0.00 179.01 179.31 2jq6 h PHE 106 N 0.15 1.15 -0.66 4.33 3.04 -0.37 0.01 116.94 124.59 2jq6 h PHE 106 Ca -0.04 -0.23 0.13 0.00 3.98 0.00 0.00 57.97 61.81 2jq6 h PHE 106 Cb 1.43 -0.29 -0.09 0.00 2.56 0.00 0.00 35.95 39.56 2jq6 h PHE 106 CO 0.03 1.05 0.16 0.00 -2.02 0.00 0.00 178.31 177.54 2jq6 h ALA 107 N 0.94 0.82 -0.06 2.41 0.00 -1.08 0.99 119.26 123.27 2jq6 h ALA 107 Ca 0.15 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2jq6 h ALA 107 Cb 0.65 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2jq6 h ALA 107 CO 0.04 -0.30 -0.02 1.25 0.00 0.00 0.00 179.25 180.23 2jq6 h LEU 108 N 0.29 0.12 -0.14 0.00 6.46 -1.03 -1.83 115.31 119.18 2jq6 h LEU 108 Ca 0.35 -0.38 0.04 0.00 -0.12 0.00 0.00 57.88 57.78 2jq6 h LEU 108 Cb 0.54 -0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 40.38 2jq6 h LEU 108 CO -0.43 0.47 -0.43 0.00 -0.62 0.00 0.00 178.44 177.43 2jq6 h ALA 109 N 0.65 -0.61 0.00 1.25 0.00 -0.16 0.11 119.26 120.50 2jq6 h ALA 109 Ca 0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2jq6 h ALA 109 Cb 0.42 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2jq6 h ALA 109 CO 0.01 -0.93 -0.46 -0.97 0.00 0.00 0.00 179.25 176.89 2jq6 h ASN 110 N -0.49 0.00 -0.06 0.00 -0.73 -0.90 -1.61 115.58 111.78 2jq6 h ASN 110 Ca 0.07 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.10 2jq6 h ASN 110 Cb 0.63 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.21 2jq6 h ASN 110 CO -0.40 0.46 -0.43 -0.74 -0.37 0.00 0.00 177.43 175.94 2jq6 h HIS 111 N 0.00 0.72 -0.25 0.67 2.76 -0.62 -0.30 115.15 118.14 2jq6 h HIS 111 Ca -0.00 -0.22 -0.13 0.00 -2.20 0.00 0.00 60.37 57.82 2jq6 h HIS 111 Cb 0.88 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.68 2jq6 h HIS 111 CO 0.00 0.93 -0.38 -0.07 -1.30 0.00 0.00 177.93 177.11 2jq6 h LEU 112 N 0.49 0.61 -0.53 0.26 3.38 -0.39 -0.48 115.31 118.65 2jq6 h LEU 112 Ca 0.04 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.77 2jq6 h LEU 112 Cb 0.95 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 2jq6 h LEU 112 CO 0.09 0.93 0.31 0.40 0.09 0.00 0.00 178.44 180.25 2jq6 h ILE 113 N 0.48 1.03 -0.16 1.22 2.04 -0.87 0.74 117.51 122.00 2jq6 h ILE 113 Ca 0.05 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 2jq6 h ILE 113 Cb 0.88 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2jq6 h ILE 113 CO 0.08 0.11 -0.32 0.07 0.00 0.00 0.00 178.15 178.09 2jq6 h LYS 114 N 0.60 0.31 -0.48 2.37 2.10 -0.80 -0.48 116.57 120.19 2jq6 h LYS 114 Ca 0.22 -0.13 -0.02 0.00 -2.00 0.00 0.00 60.65 58.72 2jq6 h LYS 114 Cb 0.05 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.34 2jq6 h LYS 114 CO -0.11 0.60 0.21 0.28 -2.00 0.00 0.00 179.45 178.44 2jq6 h VAL 115 N 0.27 1.20 0.00 0.07 2.07 -0.48 0.13 116.25 119.52 2jq6 h VAL 115 Ca 0.04 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2jq6 h VAL 115 Cb 0.70 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2jq6 h VAL 115 CO 0.05 0.22 0.00 2.29 0.02 0.00 0.00 177.57 180.16 2jq6 n LYS 116 N -4.60 0.26 0.05 1.57 -0.00 0.20 -1.62 118.16 114.02 2jq6 n LYS 116 Ca 0.01 0.06 0.12 0.00 -0.00 0.00 0.00 58.31 58.50 2jq6 n LYS 116 Cb 0.13 -1.50 0.08 0.00 -0.00 0.00 0.00 35.03 33.74 2jq6 n LYS 116 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2jq6 n LEU 117 N -1.34 0.68 -0.07 -5.58 7.94 -0.21 -3.90 117.00 114.51 2jq6 n LEU 117 Ca 0.10 0.15 0.13 0.00 -1.11 0.00 0.00 56.01 55.28 2jq6 n LEU 117 Cb 0.22 -0.12 0.71 0.00 0.53 0.00 0.00 43.42 44.76 2jq6 n LEU 117 CO 0.20 -0.04 0.96 -0.62 -1.11 0.00 0.00 177.39 176.78 2jq6 n GLU 118 N -2.17 1.10 0.00 1.96 1.02 0.29 -4.84 120.64 118.00 2jq6 n GLU 118 Ca 0.02 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 2jq6 n GLU 118 Cb 0.46 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 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 0.93 0.98 2.89 0.62 0.00 -1.25 -5.08 105.19 104.28 2jq6 n GLY 119 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.04 0.86 1.61 -3.43 -1.25 -5.09 115.29 105.95 2jq6 s HIS 120 Ca 0.00 0.15 -0.11 0.00 -0.80 0.00 0.00 55.06 54.29 2jq6 s HIS 120 Cb 0.00 -0.04 0.10 0.00 -1.43 0.00 0.00 32.58 31.21 2jq6 s HIS 120 CO 0.00 -0.05 1.09 -1.83 -2.00 0.00 0.00 174.74 171.96 2jq6 s GLU 121 N 0.32 1.59 0.39 -0.38 4.04 -1.26 -3.39 118.70 120.01 2jq6 s GLU 121 Ca -0.02 0.87 -0.25 0.00 0.04 0.00 0.00 54.97 55.61 2jq6 s GLU 121 Cb -0.04 -1.84 -0.09 0.00 0.02 0.00 0.00 34.13 32.18 2jq6 s GLU 121 CO -0.01 -2.02 1.10 -0.51 -1.84 0.00 0.00 175.26 171.98 2jq6 s LEU 122 N -6.09 4.18 0.00 1.83 1.43 -1.26 -4.93 118.68 113.85 2jq6 s LEU 122 Ca 0.62 2.17 0.31 0.00 -1.03 0.00 0.00 54.13 56.20 2jq6 s LEU 122 Cb -0.17 -4.09 1.62 0.00 0.03 0.00 0.00 46.19 43.58 2jq6 s LEU 122 CO 0.56 -0.55 2.07 -0.81 0.23 0.00 0.00 176.35 177.86 2jq6 n PRO 123 N 0.06 1.05 -1.50 1.29 -0.04 -1.26 -4.85 135.00 129.75 2jq6 n PRO 123 Ca 0.04 -0.22 -0.17 0.00 -0.04 0.00 0.00 63.50 63.11 2jq6 n PRO 123 Cb 0.48 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.78 -0.26 -2.47 0.55 0.00 -1.26 -4.98 120.51 111.31 2jq6 n ALA 124 Ca 0.21 0.28 -0.29 0.00 0.00 0.00 0.00 53.44 53.64 2jq6 n ALA 124 Cb 0.19 -1.84 -0.12 0.00 0.00 0.00 0.00 19.45 17.69 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 3.74 -0.30 0.00 2.15 -1.26 -5.09 116.67 113.15 2jq6 s ASP 125 Ca 0.00 -0.63 0.02 0.00 0.43 0.00 0.00 52.55 52.37 2jq6 s ASP 125 Cb 0.00 -0.46 0.09 0.00 -0.30 0.00 0.00 42.92 42.25 2jq6 s ASP 125 CO 0.00 0.17 0.03 -0.22 -0.17 0.00 0.00 175.17 174.98 2jq6 s LEU 126 N -2.20 3.51 0.42 -1.34 1.98 -1.26 -5.07 118.68 114.71 2jq6 s LEU 126 Ca 0.18 -1.74 -0.23 0.00 -2.89 0.00 0.00 54.13 49.45 2jq6 s LEU 126 Cb -0.10 -1.32 -0.10 0.00 0.66 0.00 0.00 46.19 45.33 2jq6 s LEU 126 CO 0.09 -0.34 1.00 -2.84 -1.89 0.00 0.00 176.35 172.37 2jq6 s PRO 127 N 1.21 4.18 0.40 0.98 0.02 -1.26 -4.96 135.00 135.57 2jq6 s PRO 127 Ca 0.05 1.32 0.14 0.00 0.02 0.00 0.00 61.00 62.53 2jq6 s PRO 127 Cb -0.19 -2.37 0.98 0.00 0.02 0.00 0.00 34.50 32.95 2jq6 s PRO 127 CO -0.12 -0.10 1.88 -1.35 -0.33 0.00 0.00 177.00 176.99 2jq6 h PRO 128 N 2.21 0.49 -0.82 5.54 0.11 -1.99 0.15 132.00 137.70 2jq6 h PRO 128 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2jq6 h PRO 128 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jq6 h PRO 128 CO 0.62 0.33 0.00 -2.39 -0.21 0.00 0.00 178.00 176.34 2jq6 n HIS 129 N -4.52 0.22 -1.58 0.65 1.44 -1.26 -2.62 115.22 107.55 2jq6 n HIS 129 Ca 0.17 -0.08 0.00 0.00 -2.01 0.00 0.00 57.72 55.81 2jq6 n HIS 129 Cb 0.56 -0.13 0.01 0.00 0.12 0.00 0.00 29.99 30.55 2jq6 n HIS 129 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2jq6 n LEU 130 N 0.02 0.14 -4.64 2.39 4.32 0.52 -4.27 117.00 115.49 2jq6 n LEU 130 Ca 0.03 -0.78 -0.43 0.00 -0.02 0.00 0.00 56.01 54.82 2jq6 n LEU 130 Cb 0.32 -0.02 -0.02 0.00 -1.62 0.00 0.00 43.42 42.08 2jq6 n LEU 130 CO 0.03 0.19 1.04 0.68 -1.22 0.00 0.00 177.39 178.12 2jq6 s VAL 131 N -0.14 4.34 -0.15 4.08 -7.23 -1.08 -4.86 120.40 115.36 2jq6 s VAL 131 Ca 0.01 1.54 -0.29 0.00 -1.81 0.00 0.00 61.98 61.44 2jq6 s VAL 131 Cb 0.01 -4.25 -0.04 0.00 0.56 0.00 0.00 36.38 32.66 2jq6 s VAL 131 CO 0.00 -0.42 1.69 -2.16 -0.31 0.00 0.00 175.10 173.90 2jq6 s PRO 132 N 3.82 3.91 0.61 4.82 0.04 -1.26 -4.87 135.00 142.07 2jq6 s PRO 132 Ca 0.51 1.93 0.28 0.00 0.04 0.00 0.00 61.00 63.76 2jq6 s PRO 132 Cb -0.15 -4.04 1.49 0.00 0.04 0.00 0.00 34.50 31.83 2jq6 s PRO 132 CO 0.18 -1.16 1.89 -1.35 0.04 0.00 0.00 177.00 176.59 2jq6 h PRO 133 N 10.56 0.00 -0.58 0.56 0.11 -1.93 -0.12 132.00 140.60 2jq6 h PRO 133 Ca -0.37 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.84 2jq6 h PRO 133 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2jq6 h PRO 133 CO 0.98 0.00 0.39 1.03 -0.21 0.00 0.00 178.00 180.19 2jq6 h SER 134 N 0.00 0.35 -0.35 -2.05 0.87 -1.97 0.28 113.55 110.69 2jq6 h SER 134 Ca 0.15 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2jq6 h SER 134 Cb 1.04 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 2jq6 h SER 134 CO -0.00 0.22 0.00 2.29 -0.53 0.00 0.00 176.83 178.80 2jq6 n LYS 135 N -4.47 2.47 -2.66 2.24 -0.00 -0.07 -4.59 118.16 111.08 2jq6 n LYS 135 Ca 0.09 -2.24 -0.43 0.00 -0.00 0.00 0.00 58.31 55.74 2jq6 n LYS 135 Cb 0.36 -1.50 0.01 0.00 -0.00 0.00 0.00 35.03 33.90 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 1.46 4.13 -2.68 -1.58 5.12 0.09 -4.95 116.66 118.25 2jq6 n ARG 136 Ca 0.19 -4.07 -0.42 0.00 -1.93 0.00 0.00 57.85 51.62 2jq6 n ARG 136 Cb 0.60 -2.70 -0.03 0.00 -1.16 0.00 0.00 32.46 29.17 2jq6 n ARG 136 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2jq6 s ARG 137 N -1.38 3.24 -0.68 5.56 3.00 -1.26 -4.96 118.95 122.48 2jq6 s ARG 137 Ca 0.36 -0.32 -0.16 0.00 0.00 0.00 0.00 55.73 55.61 2jq6 s ARG 137 Cb 0.08 -4.15 0.16 0.00 0.00 0.00 0.00 34.95 31.05 2jq6 s ARG 137 CO 0.05 -1.88 0.66 -1.58 0.00 0.00 0.00 175.30 172.55 2jq6 s HIS 138 N 4.89 3.42 -1.01 -0.53 2.46 -1.26 -5.23 115.29 118.03 2jq6 s HIS 138 Ca 0.32 -1.54 0.08 0.00 0.47 0.00 0.00 55.06 54.39 2jq6 s HIS 138 Cb -0.11 -3.85 0.06 0.00 -0.13 0.00 0.00 32.58 28.55 2jq6 s HIS 138 CO 0.16 -1.06 0.76 0.39 -2.47 0.00 0.00 174.74 172.52