#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 0.20 -5.71 1.61 0.11 -2.04 -3.39 132.00 122.78 2jq6 h PRO 2 Ca 0.00 -0.29 -0.65 0.00 0.11 0.00 0.00 66.00 65.17 2jq6 h PRO 2 Cb 0.00 0.10 -0.07 0.00 0.11 0.00 0.00 31.00 31.14 2jq6 h PRO 2 CO 0.00 1.09 -0.41 -0.51 -0.21 0.00 0.00 178.00 177.96 2jq6 s LEU 3 N -8.17 4.40 0.00 2.35 1.02 -1.26 -4.34 118.68 112.68 2jq6 s LEU 3 Ca -0.15 0.58 0.00 0.00 0.02 0.00 0.00 54.13 54.58 2jq6 s LEU 3 Cb 0.00 -2.20 0.00 0.00 0.02 0.00 0.00 46.19 44.01 2jq6 s LEU 3 CO 0.77 0.38 0.00 0.61 0.02 0.00 0.00 176.35 178.13 2jq6 n GLY 4 N 2.02 2.83 3.60 -3.19 0.00 -1.26 -4.97 105.19 104.22 2jq6 n GLY 4 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 0.07 6.51 0.11 1.61 0.01 -1.26 -5.03 113.70 115.71 2jq6 s SER 5 Ca 0.00 0.47 -0.31 0.00 1.31 0.00 0.00 55.95 57.42 2jq6 s SER 5 Cb 0.00 -2.33 -0.07 0.00 0.21 0.00 0.00 66.02 63.83 2jq6 s SER 5 CO 0.00 -0.47 1.31 -1.61 0.41 0.00 0.00 173.24 172.88 2jq6 s GLU 6 N 2.60 4.37 -0.71 12.44 0.41 -1.26 -4.89 118.70 131.66 2jq6 s GLU 6 Ca 0.25 1.96 -0.26 0.00 -0.41 0.00 0.00 54.97 56.51 2jq6 s GLU 6 Cb -0.15 -3.28 0.01 0.00 -1.78 0.00 0.00 34.13 28.93 2jq6 s GLU 6 CO 0.11 -0.34 1.57 -1.12 -0.49 0.00 0.00 175.26 175.00 2jq6 s SER 7 N 0.96 5.74 -0.12 -0.19 0.01 -1.26 -4.96 113.70 113.88 2jq6 s SER 7 Ca 0.61 -0.17 -0.27 0.00 1.31 0.00 0.00 55.95 57.43 2jq6 s SER 7 Cb -0.34 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.33 2jq6 s SER 7 CO 0.31 -2.10 0.91 -0.22 0.41 0.00 0.00 173.24 172.55 2jq6 s LEU 8 N 7.37 4.23 -0.13 2.44 2.96 -1.26 -5.04 118.68 129.25 2jq6 s LEU 8 Ca 0.51 1.37 -0.16 0.00 -0.22 0.00 0.00 54.13 55.63 2jq6 s LEU 8 Cb -0.10 -3.39 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 2jq6 s LEU 8 CO 0.15 -0.40 0.38 0.00 -1.32 0.00 0.00 176.35 175.17 2jq6 s MET 9 N 1.93 4.27 0.29 1.98 0.23 -1.26 -4.99 119.30 121.75 2jq6 s MET 9 Ca 0.44 0.27 0.01 0.00 -1.03 0.00 0.00 55.69 55.37 2jq6 s MET 9 Cb -0.18 -3.42 0.52 0.00 -1.53 0.00 0.00 34.83 30.23 2jq6 s MET 9 CO 0.16 0.23 1.87 -1.35 -2.03 0.00 0.00 175.02 173.90 2jq6 h PRO 10 N 6.60 1.01 -5.35 3.16 0.11 -2.05 -3.32 132.00 132.16 2jq6 h PRO 10 Ca -0.42 -0.06 -0.66 0.00 0.11 0.00 0.00 66.00 64.98 2jq6 h PRO 10 Cb 1.17 -0.23 -0.15 0.00 0.11 0.00 0.00 31.00 31.90 2jq6 h PRO 10 CO 0.75 0.67 0.93 -1.54 -0.21 0.00 0.00 178.00 178.60 2jq6 s SER 11 N -5.85 6.52 -0.29 -2.05 1.04 -1.26 -4.94 113.70 106.87 2jq6 s SER 11 Ca -0.12 -1.71 -0.01 0.00 0.48 0.00 0.00 55.95 54.58 2jq6 s SER 11 Cb 0.21 -2.44 0.09 0.00 0.10 0.00 0.00 66.02 63.98 2jq6 s SER 11 CO 0.81 -1.24 0.09 -1.58 0.98 0.00 0.00 173.24 172.30 2jq6 s GLN 12 N 3.46 0.66 -0.09 4.02 0.74 -1.25 -5.09 119.66 122.11 2jq6 s GLN 12 Ca 0.34 -0.91 -0.01 0.00 0.05 0.00 0.00 55.36 54.84 2jq6 s GLN 12 Cb -0.06 -1.92 0.03 0.00 1.10 0.00 0.00 33.01 32.16 2jq6 s GLN 12 CO -0.06 -0.93 -0.05 0.14 -0.55 0.00 0.00 175.29 173.84 2jq6 s VAL 13 N 1.71 0.75 -0.83 1.34 -7.23 -1.26 -5.09 120.40 109.78 2jq6 s VAL 13 Ca 0.08 -0.13 -0.24 0.00 -1.81 0.00 0.00 61.98 59.88 2jq6 s VAL 13 Cb -0.17 -0.81 0.05 0.00 0.56 0.00 0.00 36.38 36.01 2jq6 s VAL 13 CO -0.24 0.32 1.27 -0.69 -0.31 0.00 0.00 175.10 175.45 2jq6 s VAL 14 N 1.70 3.96 -1.14 1.32 1.01 -1.26 -4.92 120.40 121.08 2jq6 s VAL 14 Ca 0.03 -0.24 -0.10 0.00 0.00 0.00 0.00 61.98 61.67 2jq6 s VAL 14 Cb -0.13 -4.92 0.26 0.00 0.00 0.00 0.00 36.38 31.60 2jq6 s VAL 14 CO -0.06 -1.79 1.19 2.29 0.00 0.00 0.00 175.10 176.73 2jq6 n LYS 15 N 8.73 3.55 -3.62 2.72 2.85 -1.26 -5.00 118.16 126.13 2jq6 n LYS 15 Ca 0.13 -4.35 -0.40 0.00 -1.05 0.00 0.00 58.31 52.64 2jq6 n LYS 15 Cb 0.49 -2.64 -0.11 0.00 -0.65 0.00 0.00 35.03 32.12 2jq6 n LYS 15 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2jq6 s GLY 16 N 1.47 1.93 -1.22 2.58 0.00 -1.26 -4.52 107.32 106.31 2jq6 s GLY 16 Ca 0.33 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 43.16 2jq6 s GLY 16 CO -0.06 0.89 0.00 0.61 0.00 0.00 0.00 173.10 174.54 2jq6 n GLY 17 N 4.95 0.74 3.02 0.20 0.00 -1.26 -4.98 105.19 107.85 2jq6 n GLY 17 Ca -0.11 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.52 2.63 -0.74 4.61 0.00 -1.26 -5.04 121.76 119.43 2jq6 s ALA 18 Ca 0.00 -2.12 -0.06 0.00 0.00 0.00 0.00 51.96 49.78 2jq6 s ALA 18 Cb 0.00 -1.77 0.19 0.00 0.00 0.00 0.00 23.12 21.54 2jq6 s ALA 18 CO 0.00 -1.47 0.61 -0.06 0.00 0.00 0.00 175.76 174.84 2jq6 s PHE 19 N 1.05 3.60 -0.25 0.00 0.08 -1.26 -5.01 117.98 116.20 2jq6 s PHE 19 Ca 0.02 -2.54 0.01 0.00 0.12 0.00 0.00 56.93 54.54 2jq6 s PHE 19 Cb -0.19 -3.42 0.04 0.00 -0.57 0.00 0.00 43.02 38.88 2jq6 s PHE 19 CO -0.08 -0.88 -0.09 -0.51 -0.10 0.00 0.00 175.22 173.56 2jq6 s ASP 20 N 1.04 4.29 -0.82 1.36 1.01 -1.26 -5.01 116.67 117.26 2jq6 s ASP 20 Ca 0.19 -1.13 0.02 0.00 0.71 0.00 0.00 52.55 52.34 2jq6 s ASP 20 Cb -0.15 -1.59 0.30 0.00 1.01 0.00 0.00 42.92 42.48 2jq6 s ASP 20 CO -0.06 -0.16 1.19 0.61 0.21 0.00 0.00 175.17 176.96 2jq6 n GLY 21 N 4.55 5.31 3.21 0.21 0.00 -1.26 -5.01 105.19 112.20 2jq6 n GLY 21 Ca -0.16 -2.72 -0.31 0.00 0.00 0.00 0.00 46.02 42.83 2jq6 n GLY 21 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jq6 s THR 22 N -3.28 1.99 -0.58 2.61 -1.32 -1.26 -5.08 115.64 108.71 2jq6 s THR 22 Ca 0.39 -0.98 -0.08 0.00 -1.21 0.00 0.00 61.69 59.80 2jq6 s THR 22 Cb 0.15 -1.72 0.15 0.00 -1.51 0.00 0.00 72.50 69.57 2jq6 s THR 22 CO -0.02 0.54 0.45 -0.04 -2.21 0.00 0.00 174.62 173.34 2jq6 s MET 23 N 0.32 2.70 -0.04 7.08 -1.94 -1.26 -5.06 119.30 121.11 2jq6 s MET 23 Ca -0.17 -2.09 0.04 0.00 -1.71 0.00 0.00 55.69 51.75 2jq6 s MET 23 Cb -0.17 -3.97 -0.03 0.00 2.01 0.00 0.00 34.83 32.67 2jq6 s MET 23 CO 0.08 -1.21 -0.15 1.21 -0.01 0.00 0.00 175.02 174.94 2jq6 s ASN 24 N 2.06 3.97 0.00 3.03 3.84 -1.26 -4.68 114.94 121.90 2jq6 s ASN 24 Ca 0.11 -0.22 0.00 0.00 0.21 0.00 0.00 52.86 52.96 2jq6 s ASN 24 Cb -0.22 -0.81 0.00 0.00 -0.55 0.00 0.00 41.25 39.68 2jq6 s ASN 24 CO -0.03 0.34 0.00 0.61 -2.79 0.00 0.00 177.10 175.23 2jq6 n GLY 25 N 2.25 1.12 3.55 1.21 0.00 -1.26 -5.05 105.19 107.02 2jq6 n GLY 25 Ca -0.17 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 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 2.67 -0.34 1.61 0.02 -1.26 -4.95 135.00 132.74 2jq6 s PRO 26 Ca 0.00 0.16 -0.29 0.00 0.02 0.00 0.00 61.00 60.89 2jq6 s PRO 26 Cb 0.00 -4.66 0.02 0.00 0.02 0.00 0.00 34.50 29.87 2jq6 s PRO 26 CO 0.00 -2.92 1.08 -0.06 -0.33 0.00 0.00 177.00 174.76 2jq6 s PHE 27 N 9.12 3.10 0.00 6.54 0.08 -1.26 -4.94 117.98 130.61 2jq6 s PHE 27 Ca 0.66 1.11 0.00 0.00 0.12 0.00 0.00 56.93 58.81 2jq6 s PHE 27 Cb -0.10 -3.79 0.00 0.00 -0.57 0.00 0.00 43.02 38.56 2jq6 s PHE 27 CO 0.11 -0.84 0.00 0.41 -0.10 0.00 0.00 175.22 174.80 2jq6 n GLY 28 N 4.03 1.59 3.76 4.36 0.00 -1.26 -5.15 105.19 112.52 2jq6 n GLY 28 Ca 0.12 0.28 -0.40 0.00 0.00 0.00 0.00 46.02 46.01 2jq6 n GLY 28 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jq6 s HIS 29 N 0.00 3.69 0.00 1.61 -3.43 -1.26 -4.97 115.29 110.93 2jq6 s HIS 29 Ca 0.00 1.77 0.00 0.00 -0.80 0.00 0.00 55.06 56.03 2jq6 s HIS 29 Cb 0.00 -3.18 0.00 0.00 -1.43 0.00 0.00 32.58 27.97 2jq6 s HIS 29 CO 0.00 -0.24 0.00 0.41 -2.00 0.00 0.00 174.74 172.91 2jq6 n GLY 30 N 1.24 -0.22 2.94 -1.38 0.00 -1.26 -5.16 105.19 101.36 2jq6 n GLY 30 Ca -0.01 -1.26 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.00 0.24 -0.43 1.61 -0.85 -1.26 -5.12 117.35 109.54 2jq6 s TYR 31 Ca 0.00 -0.24 0.02 0.00 -0.52 0.00 0.00 57.07 56.33 2jq6 s TYR 31 Cb 0.00 -0.16 0.13 0.00 0.38 0.00 0.00 41.96 42.31 2jq6 s TYR 31 CO 0.00 -0.07 0.21 0.20 -1.52 0.00 0.00 175.55 174.37 2jq6 s GLY 32 N -0.68 1.81 -0.12 5.49 0.00 -1.26 -5.09 107.32 107.48 2jq6 s GLY 32 Ca -0.06 -2.64 -0.30 0.00 0.00 0.00 0.00 44.72 41.73 2jq6 s GLY 32 CO -0.00 1.37 1.24 -0.54 0.00 0.00 0.00 173.10 175.17 2jq6 s GLU 33 N 0.41 4.28 -0.35 2.90 8.01 -1.26 -4.99 118.70 127.70 2jq6 s GLU 33 Ca 0.16 1.67 -0.23 0.00 0.01 0.00 0.00 54.97 56.58 2jq6 s GLU 33 Cb -0.24 -3.67 0.01 0.00 -4.31 0.00 0.00 34.13 25.92 2jq6 s GLU 33 CO -0.03 -0.59 0.77 0.20 0.01 0.00 0.00 175.26 175.61 2jq6 s GLY 34 N 1.76 1.68 -0.29 -1.39 0.00 -1.26 -5.01 107.32 102.80 2jq6 s GLY 34 Ca 0.55 -0.63 -0.29 0.00 0.00 0.00 0.00 44.72 44.35 2jq6 s GLY 34 CO 0.18 1.72 1.18 0.00 0.00 0.00 0.00 173.10 176.18 2jq6 s ALA 35 N 3.02 3.47 -0.35 3.20 0.00 -1.26 -5.00 121.76 124.85 2jq6 s ALA 35 Ca 0.31 0.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.33 2jq6 s ALA 35 Cb -0.13 -3.70 0.09 0.00 0.00 0.00 0.00 23.12 19.37 2jq6 s ALA 35 CO 0.16 -1.55 0.09 0.20 0.00 0.00 0.00 175.76 174.65 2jq6 s GLY 36 N 2.09 1.89 0.32 0.00 0.00 -1.26 -5.08 107.32 105.28 2jq6 s GLY 36 Ca 0.50 -2.29 0.05 0.00 0.00 0.00 0.00 44.72 42.98 2jq6 s GLY 36 CO 0.18 0.89 0.44 -1.84 0.00 0.00 0.00 173.10 172.76 2jq6 n GLU 37 N 4.49 0.79 -1.84 2.90 0.28 -1.26 -4.98 120.64 121.02 2jq6 n GLU 37 Ca -0.04 -1.74 -0.42 0.00 -0.16 0.00 0.00 57.16 54.80 2jq6 n GLU 37 Cb 0.42 -0.12 -0.01 0.00 1.43 0.00 0.00 31.44 33.16 2jq6 n GLU 37 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jq6 n GLY 38 N 1.08 3.72 3.73 -1.84 0.00 -1.26 -4.94 105.19 105.67 2jq6 n GLY 38 Ca 0.09 -1.50 -0.37 0.00 0.00 0.00 0.00 46.02 44.24 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 3.89 2.04 -1.23 -0.61 -4.36 -1.26 -4.84 121.20 114.83 2jq6 s ILE 39 Ca 0.50 0.02 -0.21 0.00 -0.26 0.00 0.00 60.65 60.71 2jq6 s ILE 39 Cb 0.12 -2.96 -0.01 0.00 1.25 0.00 0.00 42.46 40.86 2jq6 s ILE 39 CO -0.02 -0.01 1.83 -0.62 0.24 0.00 0.00 174.94 176.36 2jq6 s ASP 40 N -1.46 5.90 -0.71 4.36 -1.08 -1.26 -4.88 116.67 117.53 2jq6 s ASP 40 Ca 0.82 -2.01 -0.26 0.00 -0.52 0.00 0.00 52.55 50.57 2jq6 s ASP 40 Cb -0.37 -2.58 0.01 0.00 -1.46 0.00 0.00 42.92 38.51 2jq6 s ASP 40 CO 0.41 -2.16 1.56 1.51 0.52 0.00 0.00 175.17 177.01 2jq6 s ASP 41 N 5.43 5.76 0.02 -0.34 -4.77 -1.26 -4.97 116.67 116.54 2jq6 s ASP 41 Ca 0.61 -0.19 0.07 0.00 -3.30 0.00 0.00 52.55 49.74 2jq6 s ASP 41 Cb 0.01 -2.55 -0.02 0.00 -1.09 0.00 0.00 42.92 39.27 2jq6 s ASP 41 CO 0.10 -2.09 -0.22 0.54 0.70 0.00 0.00 175.17 174.21 2jq6 s VAL 42 N 7.29 1.73 -0.72 2.11 0.11 -1.26 -5.09 120.40 124.57 2jq6 s VAL 42 Ca 0.51 -1.09 -0.15 0.00 -2.93 0.00 0.00 61.98 58.31 2jq6 s VAL 42 Cb -0.09 -1.47 0.17 0.00 -1.53 0.00 0.00 36.38 33.46 2jq6 s VAL 42 CO 0.15 0.34 0.70 -0.70 -3.33 0.00 0.00 175.10 172.26 2jq6 s GLU 43 N -0.88 3.35 0.32 1.54 2.12 -1.26 -5.04 118.70 118.84 2jq6 s GLU 43 Ca 0.08 -2.06 -0.27 0.00 0.36 0.00 0.00 54.97 53.08 2jq6 s GLU 43 Cb -0.09 -4.40 -0.09 0.00 0.26 0.00 0.00 34.13 29.81 2jq6 s GLU 43 CO 0.01 -1.36 1.05 -0.46 -0.54 0.00 0.00 175.26 173.95 2jq6 s TRP 44 N 1.03 3.55 0.12 5.30 -0.00 -1.26 -4.91 118.94 122.77 2jq6 s TRP 44 Ca 0.13 1.72 0.05 0.00 -0.00 0.00 0.00 56.10 58.01 2jq6 s TRP 44 Cb -0.18 -3.15 0.29 0.00 -0.00 0.00 0.00 33.47 30.43 2jq6 s TRP 44 CO -0.04 -0.36 0.95 0.28 -0.00 0.00 0.00 176.95 177.79 2jq6 n VAL 45 N 0.76 0.32 0.05 5.86 0.31 -1.26 0.07 118.33 124.44 2jq6 n VAL 45 Ca 0.01 0.71 -0.01 0.00 -0.01 0.00 0.00 64.34 65.04 2jq6 n VAL 45 Cb 0.47 -1.71 -0.07 0.00 -0.91 0.00 0.00 33.84 31.62 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 0.73 0.00 2.52 2.07 -1.91 -3.32 116.25 116.34 2jq6 h VAL 46 Ca 0.00 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.26 2jq6 h VAL 46 Cb 1.02 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 2jq6 h VAL 46 CO 0.00 0.42 0.00 0.61 0.02 0.00 0.00 177.57 178.62 2jq6 n GLY 47 N 1.37 -0.68 0.07 2.17 0.00 0.11 0.07 105.19 108.30 2jq6 n GLY 47 Ca -0.07 0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.69 0.92 -0.07 1.61 2.85 -1.25 -4.52 118.16 116.02 2jq6 n LYS 48 Ca 0.00 -0.05 0.03 0.00 -1.05 0.00 0.00 58.31 57.25 2jq6 n LYS 48 Cb 0.04 -1.47 0.07 0.00 -0.65 0.00 0.00 35.03 33.02 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 -2.56 2.20 -0.25 -5.58 2.03 -0.62 -4.62 116.55 107.15 2jq6 n ASP 49 Ca -0.23 -1.76 0.00 0.00 0.52 0.00 0.00 54.79 53.32 2jq6 n ASP 49 Cb 0.96 -0.09 0.13 0.00 -0.72 0.00 0.00 41.12 41.39 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 1.19 0.69 -1.51 -0.67 3.64 -0.60 -2.14 116.57 117.18 2jq6 h LYS 50 Ca 0.00 -0.04 0.44 0.00 -1.27 0.00 0.00 60.65 59.78 2jq6 h LYS 50 Cb 0.51 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.11 2jq6 h LYS 50 CO 0.00 0.46 1.08 -1.00 -2.27 0.00 0.00 179.45 177.71 2jq6 h PRO 51 N 0.71 0.01 -0.10 1.90 0.13 -1.85 0.50 132.00 133.31 2jq6 h PRO 51 Ca 0.34 -0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.33 2jq6 h PRO 51 Cb 0.27 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.41 2jq6 h PRO 51 CO -0.22 0.01 -0.48 1.15 -0.23 0.00 0.00 178.00 178.23 2jq6 h THR 52 N 0.01 1.38 0.00 1.56 2.02 -1.74 -1.40 112.91 114.74 2jq6 h THR 52 Ca 0.73 -1.82 -0.11 0.00 0.77 0.00 0.00 66.41 65.98 2jq6 h THR 52 Cb 2.87 2.22 -0.02 0.00 -1.74 0.00 0.00 68.15 71.48 2jq6 h THR 52 CO -0.04 0.54 -0.67 1.88 0.37 0.00 0.00 175.52 177.61 2jq6 h TYR 53 N 0.08 0.00 0.07 3.16 0.05 -0.49 -2.69 116.97 117.15 2jq6 h TYR 53 Ca -0.03 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.49 2jq6 h TYR 53 Cb 1.13 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.87 2jq6 h TYR 53 CO 0.12 0.49 -1.10 0.22 -1.05 0.00 0.00 178.16 176.84 2jq6 h ASP 54 N 0.00 0.52 -0.21 3.88 1.82 -0.25 0.12 116.42 122.30 2jq6 h ASP 54 Ca -0.03 -0.48 -0.12 0.00 -0.39 0.00 0.00 57.03 56.01 2jq6 h ASP 54 Cb 1.40 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 41.24 2jq6 h ASP 54 CO 0.06 1.32 -0.26 1.05 -1.61 0.00 0.00 179.24 179.79 2jq6 h GLU 55 N 0.16 0.68 -0.13 0.28 -0.00 -1.23 -0.46 114.58 113.88 2jq6 h GLU 55 Ca -0.11 -0.29 -0.13 0.00 -0.00 0.00 0.00 59.36 58.83 2jq6 h GLU 55 Cb 1.78 -0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 30.49 2jq6 h GLU 55 CO 0.19 0.88 -0.50 0.82 -0.00 0.00 0.00 179.01 180.40 2jq6 h ILE 56 N 0.59 1.33 0.42 -1.06 2.04 -1.42 -1.99 117.51 117.43 2jq6 h ILE 56 Ca 0.08 -1.73 -0.01 0.00 1.00 0.00 0.00 64.86 64.20 2jq6 h ILE 56 Cb 0.76 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 2jq6 h ILE 56 CO 0.06 0.52 -0.40 0.15 0.00 0.00 0.00 178.15 178.49 2jq6 h PHE 57 N 0.28 -1.07 0.00 1.37 3.57 -0.04 -0.22 116.94 120.83 2jq6 h PHE 57 Ca 0.01 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2jq6 h PHE 57 Cb 0.97 0.41 -0.00 0.00 2.79 0.00 0.00 35.95 40.12 2jq6 h PHE 57 CO 0.03 -0.55 -0.12 1.88 -2.23 0.00 0.00 178.31 177.31 2jq6 h TYR 58 N -0.83 0.00 0.00 0.41 -1.99 -1.14 -1.95 116.97 111.47 2jq6 h TYR 58 Ca -0.04 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.61 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 -0.20 0.12 -0.40 1.15 -0.00 0.00 0.00 178.16 178.83 2jq6 h THR 59 N 0.00 1.08 -0.01 -2.88 2.02 -0.64 -2.42 112.91 110.06 2jq6 h THR 59 Ca -0.00 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.71 2jq6 h THR 59 Cb 0.53 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 2jq6 h THR 59 CO 0.02 0.39 -0.14 0.18 0.37 0.00 0.00 175.52 176.33 2jq6 n LEU 60 N -3.76 0.80 -2.19 2.58 4.77 -0.16 -4.99 117.00 114.04 2jq6 n LEU 60 Ca -0.01 -0.16 -0.01 0.00 -0.03 0.00 0.00 56.01 55.79 2jq6 n LEU 60 Cb 0.47 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2jq6 n LEU 60 CO 0.38 0.14 -0.18 -0.24 -1.33 0.00 0.00 177.39 176.16 2jq6 n SER 61 N -0.69 -5.31 -4.81 -1.43 2.88 -0.91 -5.03 113.62 98.33 2jq6 n SER 61 Ca 0.15 0.64 -0.33 0.00 -1.33 0.00 0.00 58.87 57.99 2jq6 n SER 61 Cb 0.31 -3.40 -0.03 0.00 -0.75 0.00 0.00 64.21 60.33 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 -1.20 3.82 -0.17 -1.46 0.04 -1.25 -4.88 135.00 129.90 2jq6 s PRO 62 Ca 0.04 1.19 0.01 0.00 0.04 0.00 0.00 61.00 62.28 2jq6 s PRO 62 Cb -0.01 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.44 2jq6 s PRO 62 CO 0.43 -0.39 -0.21 0.14 0.04 0.00 0.00 177.00 177.01 2jq6 s VAL 63 N -2.26 2.05 -1.71 -0.36 -7.23 0.14 -4.72 120.40 106.30 2jq6 s VAL 63 Ca 0.64 -0.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 2jq6 s VAL 63 Cb -0.13 -1.84 0.00 0.00 0.56 0.00 0.00 36.38 34.97 2jq6 s VAL 63 CO 0.24 0.54 0.00 0.59 -0.31 0.00 0.00 175.10 176.17 2jq6 n ASN 64 N 4.45 -5.13 -0.23 4.85 3.02 -1.26 -2.50 115.26 118.46 2jq6 n ASN 64 Ca -0.21 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 2jq6 n ASN 64 Cb 0.50 -4.19 0.00 0.00 -0.61 0.00 0.00 39.78 35.48 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 -0.90 0.95 3.59 7.41 0.00 -1.26 -5.07 105.19 109.90 2jq6 n GLY 65 Ca -0.19 -0.51 -0.05 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.28 0.60 -0.06 1.61 0.00 -1.04 -4.21 119.74 113.36 2jq6 s LYS 66 Ca 0.00 -0.26 -0.16 0.00 0.00 0.00 0.00 55.97 55.55 2jq6 s LYS 66 Cb 0.00 0.25 -0.05 0.00 0.00 0.00 0.00 37.83 38.03 2jq6 s LYS 66 CO 0.00 -0.27 0.42 0.96 0.00 0.00 0.00 175.35 176.47 2jq6 s ILE 67 N -2.76 5.12 0.28 3.79 -4.36 0.08 0.24 121.20 123.58 2jq6 s ILE 67 Ca 0.09 0.86 -0.30 0.00 -0.26 0.00 0.00 60.65 61.04 2jq6 s ILE 67 Cb -0.00 -3.75 -0.12 0.00 1.25 0.00 0.00 42.46 39.84 2jq6 s ILE 67 CO -0.05 0.46 1.60 0.35 0.24 0.00 0.00 174.94 177.54 2jq6 n THR 68 N 2.76 0.86 -0.04 8.37 -2.24 -1.26 -1.66 114.28 121.06 2jq6 n THR 68 Ca -0.11 -0.22 0.24 0.00 -2.27 0.00 0.00 64.05 61.69 2jq6 n THR 68 Cb 0.52 -1.93 0.72 0.00 -2.10 0.00 0.00 70.33 67.54 2jq6 n THR 68 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2jq6 h GLY 69 N 5.05 0.00 1.30 3.38 0.00 -0.81 0.34 103.07 112.33 2jq6 h GLY 69 Ca -0.46 0.00 0.08 0.00 0.00 0.00 0.00 47.33 46.95 2jq6 h GLY 69 CO 0.81 0.00 0.27 0.00 0.00 0.00 0.00 176.54 177.62 2jq6 h ALA 70 N 1.54 2.04 0.14 3.60 0.00 -1.89 0.31 119.26 125.00 2jq6 h ALA 70 Ca 0.31 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.92 2jq6 h ALA 70 Cb 1.37 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.19 2jq6 h ALA 70 CO -0.00 -0.42 -1.26 -0.91 0.00 0.00 0.00 179.25 176.66 2jq6 h ASN 71 N 0.00 0.57 0.68 0.00 -0.26 -0.66 -1.65 115.58 114.26 2jq6 h ASN 71 Ca 0.14 -0.58 -0.18 0.00 -0.56 0.00 0.00 56.30 55.12 2jq6 h ASN 71 Cb 0.67 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.73 2jq6 h ASN 71 CO -0.00 1.44 -0.82 0.00 -1.06 0.00 0.00 177.43 176.98 2jq6 h ALA 72 N 0.49 0.62 -0.31 -0.83 0.00 -1.33 -1.96 119.26 115.95 2jq6 h ALA 72 Ca -0.16 -0.72 -0.07 0.00 0.00 0.00 0.00 54.91 53.97 2jq6 h ALA 72 Cb 1.96 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 2jq6 h ALA 72 CO 0.22 0.95 -0.09 0.87 0.00 0.00 0.00 179.25 181.19 2jq6 h LYS 73 N 0.05 0.51 -0.15 0.00 1.79 -0.42 -1.17 116.57 117.18 2jq6 h LYS 73 Ca -0.02 -0.14 0.01 0.00 -2.18 0.00 0.00 60.65 58.32 2jq6 h LYS 73 Cb 1.44 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 32.01 2jq6 h LYS 73 CO 0.12 0.61 0.05 -0.22 -1.08 0.00 0.00 179.45 178.93 2jq6 h LYS 74 N 0.48 0.12 0.09 3.15 1.63 -0.88 0.30 116.57 121.45 2jq6 h LYS 74 Ca 0.09 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.90 2jq6 h LYS 74 Cb 0.45 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.03 2jq6 h LYS 74 CO 0.02 0.08 -0.18 0.93 -3.45 0.00 0.00 179.45 176.85 2jq6 h GLU 75 N 0.13 -0.33 0.00 1.90 4.39 -0.79 0.82 114.58 120.70 2jq6 h GLU 75 Ca 0.06 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.73 2jq6 h GLU 75 Cb 0.03 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2jq6 h GLU 75 CO -0.06 -0.22 -0.25 0.00 -1.16 0.00 0.00 179.01 177.31 2jq6 h MET 76 N -0.35 0.00 -0.20 2.33 -0.00 -1.11 -1.72 114.93 113.89 2jq6 h MET 76 Ca 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.68 2jq6 h MET 76 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.96 2jq6 h MET 76 CO -0.11 0.25 -0.08 0.28 -0.00 0.00 0.00 176.91 177.26 2jq6 h VAL 77 N 0.00 1.30 0.00 -0.10 2.07 0.08 -3.20 116.25 116.41 2jq6 h VAL 77 Ca -0.00 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2jq6 h VAL 77 Cb 0.74 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2jq6 h VAL 77 CO 0.03 0.34 0.00 0.07 0.02 0.00 0.00 177.57 178.03 2jq6 h LYS 78 N 0.11 0.00 0.00 1.57 2.10 -0.45 -3.09 116.57 116.80 2jq6 h LYS 78 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 2jq6 h LYS 78 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2jq6 h LYS 78 CO 0.03 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.35 2jq6 n SER 79 N -2.82 0.00 -0.65 7.07 3.41 -0.68 -4.79 113.62 115.16 2jq6 n SER 79 Ca 0.02 -0.48 -0.06 0.00 -0.26 0.00 0.00 58.87 58.09 2jq6 n SER 79 Cb 0.36 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.31 2jq6 n SER 79 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jq6 n LYS 80 N -0.84 -0.46 -4.12 4.33 5.02 -1.17 -5.03 118.16 115.89 2jq6 n LYS 80 Ca 0.06 0.31 -0.22 0.00 -2.02 0.00 0.00 58.31 56.44 2jq6 n LYS 80 Cb 0.03 -4.13 -0.06 0.00 -0.02 0.00 0.00 35.03 30.85 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 -1.66 3.46 0.40 -0.35 1.43 -1.26 -5.12 118.68 115.58 2jq6 s LEU 81 Ca 0.00 -0.54 -0.19 0.00 -1.03 0.00 0.00 54.13 52.38 2jq6 s LEU 81 Cb 0.00 -1.99 -0.10 0.00 0.03 0.00 0.00 46.19 44.13 2jq6 s LEU 81 CO 0.00 -0.14 0.88 -2.16 0.23 0.00 0.00 176.35 175.16 2jq6 s PRO 82 N -3.82 4.13 0.54 1.29 0.04 -1.26 -4.90 135.00 131.02 2jq6 s PRO 82 Ca 0.35 0.95 0.31 0.00 0.04 0.00 0.00 61.00 62.65 2jq6 s PRO 82 Cb -0.06 -2.26 1.48 0.00 0.04 0.00 0.00 34.50 33.70 2jq6 s PRO 82 CO 0.23 0.01 1.90 -0.91 0.04 0.00 0.00 177.00 178.27 2jq6 h ASN 83 N 1.93 0.00 -0.03 6.66 4.21 -1.98 -0.74 115.58 125.63 2jq6 h ASN 83 Ca -0.48 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.02 2jq6 h ASN 83 Cb 1.18 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.38 2jq6 h ASN 83 CO 0.62 0.00 0.01 0.74 -1.29 0.00 0.00 177.43 177.52 2jq6 h THR 84 N 0.00 1.12 -0.64 2.81 2.02 -1.99 0.14 112.91 116.37 2jq6 h THR 84 Ca 0.41 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 2jq6 h THR 84 Cb 1.66 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 69.35 2jq6 h THR 84 CO -0.00 0.10 0.24 0.58 0.37 0.00 0.00 175.52 176.80 2jq6 h VAL 85 N -0.10 1.24 -0.67 3.16 2.07 -1.54 -2.40 116.25 118.01 2jq6 h VAL 85 Ca 0.01 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 2jq6 h VAL 85 Cb 0.15 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 2jq6 h VAL 85 CO -0.00 0.30 0.18 -0.07 0.02 0.00 0.00 177.57 178.00 2jq6 h LEU 86 N 0.91 0.99 -0.47 2.57 -0.00 -1.24 0.22 115.31 118.29 2jq6 h LEU 86 Ca 0.21 -0.20 0.03 0.00 -0.00 0.00 0.00 57.88 57.93 2jq6 h LEU 86 Cb 0.24 -0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 40.60 2jq6 h LEU 86 CO -0.01 0.95 0.25 1.23 -0.00 0.00 0.00 178.44 180.85 2jq6 h GLY 87 N 1.07 0.65 1.89 0.83 0.00 -0.35 0.11 103.07 107.27 2jq6 h GLY 87 Ca 0.22 -0.18 -0.17 0.00 0.00 0.00 0.00 47.33 47.20 2jq6 h GLY 87 CO -0.00 0.13 -0.86 0.07 0.00 0.00 0.00 176.54 175.88 2jq6 h LYS 88 N 0.50 0.00 -0.36 4.80 2.10 -1.10 -2.43 116.57 120.08 2jq6 h LYS 88 Ca 0.20 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.85 2jq6 h LYS 88 Cb 0.08 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.39 2jq6 h LYS 88 CO -0.13 0.73 0.22 0.82 -2.00 0.00 0.00 179.45 179.10 2jq6 h ILE 89 N 0.00 1.11 0.45 0.07 2.04 -0.31 -1.30 117.51 119.57 2jq6 h ILE 89 Ca -0.03 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 2jq6 h ILE 89 Cb 1.62 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 2jq6 h ILE 89 CO 0.10 0.11 -0.36 -0.25 0.00 0.00 0.00 178.15 177.75 2jq6 h TRP 90 N 0.47 -0.97 0.00 1.37 2.91 -0.73 0.17 115.95 119.17 2jq6 h TRP 90 Ca 0.13 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.15 2jq6 h TRP 90 Cb -0.01 0.37 0.00 0.00 -0.51 0.00 0.00 29.16 29.00 2jq6 h TRP 90 CO -0.04 -0.52 0.00 0.36 -1.03 0.00 0.00 178.44 177.21 2jq6 n LYS 91 N -5.48 0.03 -0.04 2.65 2.85 -0.92 0.12 118.16 117.36 2jq6 n LYS 91 Ca -0.11 0.23 -0.12 0.00 -1.05 0.00 0.00 58.31 57.26 2jq6 n LYS 91 Cb 0.38 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.11 2jq6 n LYS 91 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2jq6 n LEU 92 N -1.48 1.25 0.01 -5.58 7.94 -0.50 -4.55 117.00 114.10 2jq6 n LEU 92 Ca 0.04 0.23 -0.22 0.00 -1.11 0.00 0.00 56.01 54.95 2jq6 n LEU 92 Cb 0.17 -0.13 -0.14 0.00 0.53 0.00 0.00 43.42 43.85 2jq6 n LEU 92 CO 0.14 0.56 -0.54 0.00 -1.11 0.00 0.00 177.39 176.44 2jq6 h ALA 93 N 0.71 0.24 -1.54 1.96 0.00 0.36 -3.43 119.26 117.56 2jq6 h ALA 93 Ca -0.40 -1.18 -0.60 0.00 0.00 0.00 0.00 54.91 52.73 2jq6 h ALA 93 Cb 2.06 0.56 -0.12 0.00 0.00 0.00 0.00 17.79 20.28 2jq6 h ALA 93 CO 0.05 0.96 0.80 0.34 0.00 0.00 0.00 179.25 181.40 2jq6 s ASP 94 N -7.06 6.22 0.28 0.00 2.15 0.12 -4.77 116.67 113.61 2jq6 s ASP 94 Ca -0.21 -0.92 0.11 0.00 0.43 0.00 0.00 52.55 51.97 2jq6 s ASP 94 Cb 0.05 -2.47 0.40 0.00 -0.30 0.00 0.00 42.92 40.59 2jq6 s ASP 94 CO 0.76 -1.55 1.63 0.58 -0.17 0.00 0.00 175.17 176.42 2jq6 h VAL 95 N 6.04 1.41 0.00 1.11 2.07 -1.85 -2.53 116.25 122.49 2jq6 h VAL 95 Ca -0.22 -2.03 -0.16 0.00 0.82 0.00 0.00 66.70 65.11 2jq6 h VAL 95 Cb 1.06 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 2jq6 h VAL 95 CO 1.23 0.58 -0.78 0.44 0.02 0.00 0.00 177.57 179.05 2jq6 h ASP 96 N 0.00 0.00 -5.82 0.57 5.19 -1.94 -3.47 116.42 110.94 2jq6 h ASP 96 Ca -0.01 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 56.03 2jq6 h ASP 96 Cb 1.06 0.00 0.13 0.00 0.18 0.00 0.00 39.33 40.69 2jq6 h ASP 96 CO 0.08 0.74 -0.74 0.29 -3.12 0.00 0.00 179.24 176.48 2jq6 n LYS 97 N -3.27 -6.86 -0.19 3.56 5.02 -0.95 -4.90 118.16 110.56 2jq6 n LYS 97 Ca 0.00 0.80 0.09 0.00 -2.02 0.00 0.00 58.31 57.18 2jq6 n LYS 97 Cb 0.84 -5.77 0.19 0.00 -0.02 0.00 0.00 35.03 30.27 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 -3.06 3.17 0.00 4.39 5.75 -1.26 -4.94 116.55 120.60 2jq6 n ASP 98 Ca -0.15 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 2jq6 n ASP 98 Cb 0.62 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 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 1.10 0.41 3.63 6.12 0.00 -1.26 -4.99 105.19 110.20 2jq6 n GLY 99 Ca 0.16 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 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 0.43 -0.21 0.99 0.05 -1.26 -0.07 118.68 118.60 2jq6 s LEU 100 Ca 0.00 -1.15 -0.04 0.00 0.05 0.00 0.00 54.13 52.99 2jq6 s LEU 100 Cb 0.00 2.02 0.11 0.00 -2.05 0.00 0.00 46.19 46.27 2jq6 s LEU 100 CO 0.00 -1.36 0.34 -0.76 -0.55 0.00 0.00 176.35 174.03 2jq6 s LEU 101 N -3.10 -0.50 0.00 1.48 1.43 -0.67 -4.83 118.68 112.49 2jq6 s LEU 101 Ca 0.22 0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 53.64 2jq6 s LEU 101 Cb -0.02 0.98 0.07 0.00 0.03 0.00 0.00 46.19 47.25 2jq6 s LEU 101 CO 0.13 -0.28 0.32 -0.90 0.23 0.00 0.00 176.35 175.85 2jq6 n ASP 102 N 5.36 -0.53 -0.22 2.29 5.75 -1.26 -0.74 116.55 127.20 2jq6 n ASP 102 Ca -0.05 -0.93 0.10 0.00 -0.01 0.00 0.00 54.79 53.90 2jq6 n ASP 102 Cb 0.50 -0.26 0.38 0.00 -1.03 0.00 0.00 41.12 40.71 2jq6 n ASP 102 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2jq6 h ASP 103 N -0.87 0.62 0.63 -1.12 5.19 -1.96 0.41 116.42 119.32 2jq6 h ASP 103 Ca -0.11 0.02 -0.20 0.00 -0.62 0.00 0.00 57.03 56.12 2jq6 h ASP 103 Cb 0.31 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.68 2jq6 h ASP 103 CO 0.07 0.35 -1.51 -0.62 -3.12 0.00 0.00 179.24 174.42 2jq6 n GLU 104 N -4.51 0.63 0.04 3.56 4.71 -1.26 -1.90 120.64 121.90 2jq6 n GLU 104 Ca 0.14 0.23 -0.07 0.00 -0.01 0.00 0.00 57.16 57.46 2jq6 n GLU 104 Cb 0.38 -1.79 0.11 0.00 -1.01 0.00 0.00 31.44 29.12 2jq6 n GLU 104 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2jq6 h GLU 105 N 0.00 0.41 -0.43 3.49 5.08 -1.65 0.11 114.58 121.59 2jq6 h GLU 105 Ca -0.20 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 57.83 2jq6 h GLU 105 Cb 1.70 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.96 2jq6 h GLU 105 CO 0.05 0.83 -0.04 0.35 -1.00 0.00 0.00 179.01 179.21 2jq6 h PHE 106 N 0.32 0.88 -0.94 4.33 3.04 -0.30 0.12 116.94 124.39 2jq6 h PHE 106 Ca 0.01 -0.17 0.14 0.00 3.98 0.00 0.00 57.97 61.94 2jq6 h PHE 106 Cb 1.02 -0.22 -0.09 0.00 2.56 0.00 0.00 35.95 39.22 2jq6 h PHE 106 CO 0.03 0.87 0.55 0.00 -2.02 0.00 0.00 178.31 177.75 2jq6 h ALA 107 N 0.89 1.45 0.03 2.41 0.00 -0.81 0.14 119.26 123.36 2jq6 h ALA 107 Ca 0.12 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jq6 h ALA 107 Cb 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2jq6 h ALA 107 CO 0.03 0.04 -0.01 1.25 0.00 0.00 0.00 179.25 180.56 2jq6 h LEU 108 N 0.80 -0.03 -0.34 0.00 6.46 -0.82 -1.76 115.31 119.62 2jq6 h LEU 108 Ca 0.50 -0.63 0.07 0.00 -0.12 0.00 0.00 57.88 57.71 2jq6 h LEU 108 Cb 0.64 0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 40.50 2jq6 h LEU 108 CO -0.33 0.64 -0.20 0.00 -0.62 0.00 0.00 178.44 177.93 2jq6 h ALA 109 N 0.19 0.03 0.00 1.25 0.00 -0.22 0.28 119.26 120.79 2jq6 h ALA 109 Ca -0.00 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2jq6 h ALA 109 Cb 0.66 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2jq6 h ALA 109 CO 0.01 -0.59 -0.40 -0.97 0.00 0.00 0.00 179.25 177.30 2jq6 h ASN 110 N -0.15 0.00 -0.42 0.00 -0.73 -0.86 -1.96 115.58 111.45 2jq6 h ASN 110 Ca 0.17 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.21 2jq6 h ASN 110 Cb 0.42 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.00 2jq6 h ASN 110 CO -0.43 0.40 -0.25 -0.74 -0.37 0.00 0.00 177.43 176.04 2jq6 h HIS 111 N 0.00 1.06 -0.25 0.67 2.76 -0.01 -1.56 115.15 117.81 2jq6 h HIS 111 Ca -0.00 -0.28 -0.12 0.00 -2.20 0.00 0.00 60.37 57.77 2jq6 h HIS 111 Cb 0.87 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 2jq6 h HIS 111 CO 0.00 1.08 -0.34 -0.07 -1.30 0.00 0.00 177.93 177.30 2jq6 h LEU 112 N 0.73 0.55 0.20 0.26 3.38 -0.23 0.52 115.31 120.72 2jq6 h LEU 112 Ca 0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2jq6 h LEU 112 Cb 0.82 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2jq6 h LEU 112 CO 0.07 0.85 -0.13 0.40 0.09 0.00 0.00 178.44 179.73 2jq6 h ILE 113 N 0.46 0.73 0.00 1.22 2.04 -1.17 -1.23 117.51 119.56 2jq6 h ILE 113 Ca 0.05 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 2jq6 h ILE 113 Cb 0.80 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2jq6 h ILE 113 CO 0.07 0.00 -0.10 0.07 0.00 0.00 0.00 178.15 178.19 2jq6 h LYS 114 N -0.32 0.00 -0.29 2.37 2.10 -1.09 -1.34 116.57 118.00 2jq6 h LYS 114 Ca -0.02 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.65 2jq6 h LYS 114 Cb 0.27 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.58 2jq6 h LYS 114 CO 0.02 0.10 0.16 0.28 -2.00 0.00 0.00 179.45 178.01 2jq6 h VAL 115 N 0.00 1.02 -0.06 0.07 2.07 0.51 -0.39 116.25 119.47 2jq6 h VAL 115 Ca -0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2jq6 h VAL 115 Cb 0.69 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2jq6 h VAL 115 CO 0.01 0.06 0.00 2.29 0.02 0.00 0.00 177.57 179.95 2jq6 n LYS 116 N -4.94 1.39 0.12 1.57 2.85 -0.51 -1.76 118.16 116.89 2jq6 n LYS 116 Ca -0.01 -0.58 0.12 0.00 -1.05 0.00 0.00 58.31 56.78 2jq6 n LYS 116 Cb 0.05 -1.40 0.04 0.00 -0.65 0.00 0.00 35.03 33.07 2jq6 n LYS 116 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2jq6 h LEU 117 N 1.26 0.00 -1.39 -5.58 5.85 -0.25 -3.32 115.31 111.88 2jq6 h LEU 117 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2jq6 h LEU 117 Cb 0.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2jq6 h LEU 117 CO 0.00 0.01 0.00 -0.33 -0.34 0.00 0.00 178.44 177.78 2jq6 h GLU 118 N 0.00 0.00 0.00 1.25 5.08 -0.26 -3.46 114.58 117.19 2jq6 h GLU 118 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jq6 h GLU 118 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2jq6 h GLU 118 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 2jq6 n GLY 119 N -0.35 2.31 3.63 -3.84 0.00 -1.25 -5.08 105.19 100.63 2jq6 n GLY 119 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.13 3.15 0.43 1.61 -3.43 -1.26 -5.04 115.29 108.63 2jq6 s HIS 120 Ca 0.00 0.06 0.00 0.00 -0.80 0.00 0.00 55.06 54.32 2jq6 s HIS 120 Cb 0.00 -1.88 -0.01 0.00 -1.43 0.00 0.00 32.58 29.26 2jq6 s HIS 120 CO 0.00 0.30 0.65 -1.83 -2.00 0.00 0.00 174.74 171.86 2jq6 s GLU 121 N -0.38 3.18 0.14 -0.38 -1.05 -1.26 -2.83 118.70 116.11 2jq6 s GLU 121 Ca 0.07 -0.43 -0.31 0.00 -0.15 0.00 0.00 54.97 54.15 2jq6 s GLU 121 Cb -0.12 -2.57 -0.10 0.00 -0.44 0.00 0.00 34.13 30.89 2jq6 s GLU 121 CO 0.02 -0.17 1.68 -0.48 0.95 0.00 0.00 175.26 177.25 2jq6 s LEU 122 N -4.51 4.38 -0.07 1.83 -0.00 -1.26 -4.89 118.68 114.15 2jq6 s LEU 122 Ca 0.46 2.66 0.16 0.00 -0.00 0.00 0.00 54.13 57.41 2jq6 s LEU 122 Cb -0.10 -3.58 0.57 0.00 -0.00 0.00 0.00 46.19 43.09 2jq6 s LEU 122 CO 0.38 -0.91 1.46 -0.81 -0.00 0.00 0.00 176.35 176.47 2jq6 n PRO 123 N 4.81 3.04 -2.91 1.48 -0.04 -1.26 -4.90 135.00 135.22 2jq6 n PRO 123 Ca 0.16 -2.28 -0.16 0.00 -0.04 0.00 0.00 63.50 61.17 2jq6 n PRO 123 Cb 0.38 -1.71 0.03 0.00 -0.04 0.00 0.00 33.50 32.17 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 0.96 -0.75 -2.47 0.55 0.00 -1.26 -5.03 120.51 112.51 2jq6 n ALA 124 Ca 0.21 0.23 -0.32 0.00 0.00 0.00 0.00 53.44 53.56 2jq6 n ALA 124 Cb 0.69 -3.20 -0.13 0.00 0.00 0.00 0.00 19.45 16.82 2jq6 n ALA 124 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2jq6 s ASP 125 N -2.89 3.94 -0.37 0.00 -4.77 -1.26 -5.10 116.67 106.21 2jq6 s ASP 125 Ca 0.26 -0.30 0.02 0.00 -3.30 0.00 0.00 52.55 49.23 2jq6 s ASP 125 Cb -0.12 -0.74 0.11 0.00 -1.09 0.00 0.00 42.92 41.08 2jq6 s ASP 125 CO 0.33 0.30 0.13 -0.22 0.70 0.00 0.00 175.17 176.41 2jq6 s LEU 126 N -1.11 3.38 0.52 2.11 2.96 -1.26 -5.10 118.68 120.19 2jq6 s LEU 126 Ca 0.13 -2.19 -0.19 0.00 -0.22 0.00 0.00 54.13 51.66 2jq6 s LEU 126 Cb -0.11 -1.24 -0.07 0.00 0.50 0.00 0.00 46.19 45.28 2jq6 s LEU 126 CO 0.03 -0.35 1.07 -2.84 -1.32 0.00 0.00 176.35 172.94 2jq6 s PRO 127 N 0.88 3.58 0.41 0.98 0.02 -1.26 -4.92 135.00 134.68 2jq6 s PRO 127 Ca 0.13 1.41 0.28 0.00 0.02 0.00 0.00 61.00 62.84 2jq6 s PRO 127 Cb -0.20 -2.06 1.48 0.00 0.02 0.00 0.00 34.50 33.74 2jq6 s PRO 127 CO -0.11 -0.63 1.85 -1.00 -0.33 0.00 0.00 177.00 176.78 2jq6 h PRO 128 N 1.25 0.00 -0.68 5.54 0.13 -1.99 -0.07 132.00 136.18 2jq6 h PRO 128 Ca -0.49 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 2jq6 h PRO 128 Cb 1.23 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 2jq6 h PRO 128 CO 0.58 0.00 0.11 -2.39 -0.23 0.00 0.00 178.00 176.07 2jq6 n HIS 129 N -2.49 2.10 -1.21 1.56 1.44 -1.26 -3.85 115.22 111.52 2jq6 n HIS 129 Ca -0.01 -0.87 0.00 0.00 -2.01 0.00 0.00 57.72 54.83 2jq6 n HIS 129 Cb 0.07 -0.56 0.00 0.00 0.12 0.00 0.00 29.99 29.62 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 0.29 0.18 -4.68 2.39 4.32 -0.04 -4.52 117.00 114.94 2jq6 n LEU 130 Ca 0.31 -0.47 -0.39 0.00 -0.02 0.00 0.00 56.01 55.44 2jq6 n LEU 130 Cb 1.22 -0.01 -0.06 0.00 -1.62 0.00 0.00 43.42 42.94 2jq6 n LEU 130 CO 0.35 0.12 0.25 0.68 -1.22 0.00 0.00 177.39 177.56 2jq6 s VAL 131 N -0.13 5.11 0.49 4.08 -7.23 -1.21 -4.92 120.40 116.59 2jq6 s VAL 131 Ca 0.01 1.00 -0.21 0.00 -1.81 0.00 0.00 61.98 60.97 2jq6 s VAL 131 Cb 0.01 -3.86 -0.09 0.00 0.56 0.00 0.00 36.38 32.99 2jq6 s VAL 131 CO 0.00 0.20 0.76 -2.65 -0.31 0.00 0.00 175.10 173.11 2jq6 n PRO 132 N 4.55 0.86 -0.37 4.82 -0.02 -1.26 -4.57 135.00 139.00 2jq6 n PRO 132 Ca -0.05 0.32 0.38 0.00 -2.02 0.00 0.00 63.50 62.13 2jq6 n PRO 132 Cb 0.51 -1.84 0.67 0.00 -0.02 0.00 0.00 33.50 32.81 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 0.83 0.00 0.00 0.52 0.11 -1.96 0.16 132.00 131.67 2jq6 h PRO 133 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2jq6 h PRO 133 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 2jq6 h PRO 133 CO 0.52 0.00 -0.46 0.43 -0.21 0.00 0.00 178.00 178.28 2jq6 n SER 134 N -3.73 0.47 -0.04 -2.05 7.64 -1.26 -3.98 113.62 110.67 2jq6 n SER 134 Ca 0.29 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2jq6 n SER 134 Cb 1.54 0.16 0.01 0.00 -1.01 0.00 0.00 64.21 64.91 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 -1.57 2.66 -2.73 1.43 0.00 0.56 -4.91 118.16 113.61 2jq6 n LYS 135 Ca 0.05 -1.45 -0.42 0.00 -0.00 0.00 0.00 58.31 56.49 2jq6 n LYS 135 Cb 0.35 -1.02 -0.03 0.00 -0.00 0.00 0.00 35.03 34.33 2jq6 n LYS 135 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2jq6 s ARG 136 N -0.92 3.34 -0.28 -1.58 1.70 -1.15 -4.91 118.95 115.15 2jq6 s ARG 136 Ca 0.01 -0.95 -0.22 0.00 -0.47 0.00 0.00 55.73 54.11 2jq6 s ARG 136 Cb 0.01 -4.62 0.12 0.00 -0.57 0.00 0.00 34.95 29.89 2jq6 s ARG 136 CO 0.01 -1.98 0.98 -0.98 -1.08 0.00 0.00 175.30 172.25 2jq6 s ARG 137 N 4.39 0.50 -0.71 3.89 1.70 -1.26 -4.92 118.95 122.55 2jq6 s ARG 137 Ca 0.33 0.68 -0.19 0.00 -0.47 0.00 0.00 55.73 56.07 2jq6 s ARG 137 Cb -0.08 0.20 0.11 0.00 -0.57 0.00 0.00 34.95 34.60 2jq6 s ARG 137 CO 0.03 -0.07 0.87 -1.01 -1.08 0.00 0.00 175.30 174.04 2jq6 s HIS 138 N 0.65 3.00 0.00 5.89 3.76 -1.26 -5.25 115.29 122.08 2jq6 s HIS 138 Ca -0.01 -1.03 0.00 0.00 -0.15 0.00 0.00 55.06 53.86 2jq6 s HIS 138 Cb -0.05 -4.14 0.00 0.00 1.11 0.00 0.00 32.58 29.51 2jq6 s HIS 138 CO -0.09 -1.41 0.00 0.39 -0.85 0.00 0.00 174.74 172.78