#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qnj s VAL 17 N 0.00 4.98 -0.83 2.52 1.01 0.00 -4.08 120.40 124.00 1qnj s VAL 17 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.16 1qnj s VAL 17 Cb 0.00 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1qnj s VAL 17 CO 0.00 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1qnj n GLY 18 N 2.62 0.59 3.83 4.51 0.00 -1.24 -1.70 105.19 113.80 1qnj n GLY 18 Ca -0.07 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 1qnj n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qnj n GLY 19 N -1.54 0.22 3.32 -0.02 0.00 -1.26 -4.78 105.19 101.13 1qnj n GLY 19 Ca -0.09 -1.97 -0.19 0.00 0.00 0.00 0.00 46.02 43.77 1qnj n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qnj s THR 20 N -3.22 1.65 0.03 2.61 -4.23 0.02 -4.92 115.64 107.59 1qnj s THR 20 Ca 0.67 -2.02 -0.30 0.00 -1.18 0.00 0.00 61.69 58.85 1qnj s THR 20 Cb -0.03 -1.88 -0.06 0.00 1.34 0.00 0.00 72.50 71.87 1qnj s THR 20 CO 0.45 -0.49 1.43 -0.70 -0.54 0.00 0.00 174.62 174.77 1qnj s GLU 21 N -3.22 4.28 0.47 3.99 2.12 -1.26 -0.85 118.70 124.23 1qnj s GLU 21 Ca 0.18 2.03 -0.23 0.00 0.36 0.00 0.00 54.97 57.31 1qnj s GLU 21 Cb -0.03 -3.51 -0.07 0.00 0.26 0.00 0.00 34.13 30.78 1qnj s GLU 21 CO 0.06 -0.56 1.23 0.00 -0.54 0.00 0.00 175.26 175.44 1qnj s ALA 22 N 2.15 2.99 0.56 6.30 0.00 -0.07 -4.85 121.76 128.84 1qnj s ALA 22 Ca 0.65 1.07 -0.21 0.00 0.00 0.00 0.00 51.96 53.47 1qnj s ALA 22 Cb -0.34 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.30 1qnj s ALA 22 CO 0.28 -0.83 1.31 -1.14 0.00 0.00 0.00 175.76 175.38 1qnj s GLN 23 N -2.65 3.08 0.54 0.00 0.74 -1.26 -4.87 119.66 115.24 1qnj s GLN 23 Ca 0.64 2.12 0.22 0.00 0.05 0.00 0.00 55.36 58.39 1qnj s GLN 23 Cb -0.33 -2.17 1.41 0.00 1.10 0.00 0.00 33.01 33.03 1qnj s GLN 23 CO 0.40 -1.20 2.09 -0.09 -0.55 0.00 0.00 175.29 175.94 1qnj h ARG 24 N 1.30 0.00 -0.20 1.67 2.43 -1.98 -2.13 114.38 115.48 1qnj h ARG 24 Ca -0.51 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1qnj h ARG 24 Cb 1.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1qnj h ARG 24 CO 0.57 0.00 0.00 0.27 -1.51 0.00 0.00 179.97 179.30 1qnj n ASN 25 N -4.32 3.22 0.01 -3.80 0.23 -1.26 -4.69 115.26 104.65 1qnj n ASN 25 Ca 0.02 -2.76 -0.12 0.00 -0.53 0.00 0.00 54.58 51.20 1qnj n ASN 25 Cb 0.31 -0.42 0.01 0.00 -2.08 0.00 0.00 39.78 37.61 1qnj n ASN 25 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1qnj h SER 26 N 1.30 0.66 -2.13 0.53 0.02 -1.71 -3.39 113.55 108.82 1qnj h SER 26 Ca 0.00 -0.40 -0.56 0.00 -0.84 0.00 0.00 61.79 59.99 1qnj h SER 26 Cb 1.14 -0.19 -0.41 0.00 0.14 0.00 0.00 62.40 63.08 1qnj h SER 26 CO 0.12 1.15 -0.86 0.79 -1.14 0.00 0.00 176.83 176.89 1qnj n TRP 27 N -3.91 2.09 0.48 3.45 7.02 -1.26 -4.95 117.44 120.36 1qnj n TRP 27 Ca -0.05 -3.90 0.06 0.00 -1.02 0.00 0.00 57.50 52.59 1qnj n TRP 27 Cb 0.68 -0.46 0.29 0.00 -2.42 0.00 0.00 31.31 29.40 1qnj n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1qnj n PRO 28 N 0.55 0.04 0.00 -0.99 -0.04 -1.26 -1.69 135.00 131.60 1qnj n PRO 28 Ca 0.27 0.25 0.12 0.00 -0.04 0.00 0.00 63.50 64.11 1qnj n PRO 28 Cb 0.49 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.78 1qnj n PRO 28 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1qnj n SER 29 N -1.46 0.41 -4.74 3.54 3.41 -1.21 -1.74 113.62 111.82 1qnj n SER 29 Ca 0.04 -0.11 -0.41 0.00 -0.26 0.00 0.00 58.87 58.12 1qnj n SER 29 Cb 0.14 0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 1qnj n SER 29 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1qnj s GLN 30 N -2.99 4.38 0.29 4.33 2.00 -0.68 -0.87 119.66 126.11 1qnj s GLN 30 Ca 0.12 2.10 0.09 0.00 -2.00 0.00 0.00 55.36 55.67 1qnj s GLN 30 Cb 0.18 -3.16 -0.06 0.00 0.80 0.00 0.00 33.01 30.77 1qnj s GLN 30 CO 0.66 -0.24 -0.11 0.96 -0.50 0.00 0.00 175.29 176.06 1qnj s ILE 31 N -0.17 1.99 -0.21 -2.34 -5.25 -0.43 -4.55 121.20 110.23 1qnj s ILE 31 Ca 0.55 -2.21 -0.06 0.00 -0.99 0.00 0.00 60.65 57.94 1qnj s ILE 31 Cb -0.38 -2.43 -0.03 0.00 2.95 0.00 0.00 42.46 42.58 1qnj s ILE 31 CO 0.41 -0.33 0.02 -0.55 -1.79 0.00 0.00 174.94 172.71 1qnj s SER 32 N -3.49 4.93 -0.25 4.36 0.15 -0.71 -2.62 113.70 116.07 1qnj s SER 32 Ca 0.30 -0.20 -0.13 0.00 0.70 0.00 0.00 55.95 56.61 1qnj s SER 32 Cb 0.01 -1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 62.42 1qnj s SER 32 CO 0.13 0.04 0.29 -0.22 1.20 0.00 0.00 173.24 174.68 1qnj s LEU 33 N 1.16 4.08 0.16 3.45 2.96 0.19 -0.84 118.68 129.83 1qnj s LEU 33 Ca 0.03 0.24 0.08 0.00 -0.22 0.00 0.00 54.13 54.26 1qnj s LEU 33 Cb -0.14 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 1qnj s LEU 33 CO 0.02 -0.08 -0.17 -1.10 -1.32 0.00 0.00 176.35 173.70 1qnj s GLN 34 N 1.62 1.23 0.17 1.98 -0.21 -0.32 -0.93 119.66 123.20 1qnj s GLN 34 Ca 0.13 -1.38 0.10 0.00 0.02 0.00 0.00 55.36 54.22 1qnj s GLN 34 Cb -0.15 -1.23 -0.04 0.00 1.00 0.00 0.00 33.01 32.59 1qnj s GLN 34 CO 0.08 0.25 -0.21 1.52 -2.12 0.00 0.00 175.29 174.81 1qnj s TYR 35 N -2.12 2.02 0.02 0.91 1.13 -0.32 -0.86 117.35 118.13 1qnj s TYR 35 Ca 0.15 -0.42 -0.30 0.00 -1.41 0.00 0.00 57.07 55.09 1qnj s TYR 35 Cb -0.05 -1.01 -0.04 0.00 -1.10 0.00 0.00 41.96 39.75 1qnj s TYR 35 CO 0.06 0.39 1.12 0.50 -2.51 0.00 0.00 175.55 175.10 1qnj s ARG 36 N -2.64 4.47 -0.28 -3.49 3.52 -0.27 -0.86 118.95 119.40 1qnj s ARG 36 Ca 0.17 1.62 -0.03 0.00 -0.13 0.00 0.00 55.73 57.36 1qnj s ARG 36 Cb -0.07 -3.42 0.09 0.00 -1.56 0.00 0.00 34.95 30.00 1qnj s ARG 36 CO 0.08 -0.21 0.10 0.45 -0.81 0.00 0.00 175.30 174.91 1qnj s SER 36 N 1.09 3.61 1.56 -2.12 0.15 0.20 -4.81 113.70 113.37 1qnj s SER 36 Ca 0.56 -1.34 0.00 0.00 0.70 0.00 0.00 55.95 55.86 1qnj s SER 36 Cb -0.26 -0.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.47 1qnj s SER 36 CO 0.28 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1qnj n GLY 36 N 5.07 3.78 1.70 9.45 0.00 -1.26 0.59 105.19 124.52 1qnj n GLY 36 Ca -0.05 0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.19 1qnj n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qnj n SER 36 N 6.64 5.21 -4.21 1.61 3.41 -1.26 -4.93 113.62 120.09 1qnj n SER 36 Ca 0.00 -2.72 -0.27 0.00 -0.26 0.00 0.00 58.87 55.63 1qnj n SER 36 Cb 0.00 -0.63 -0.08 0.00 -0.26 0.00 0.00 64.21 63.24 1qnj n SER 36 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1qnj s SER 37 N -0.91 3.03 0.00 4.04 1.04 0.20 -5.16 113.70 115.94 1qnj s SER 37 Ca 0.52 -1.68 0.08 0.00 0.48 0.00 0.00 55.95 55.36 1qnj s SER 37 Cb 0.37 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.99 1qnj s SER 37 CO 0.20 -0.93 -0.26 0.26 0.98 0.00 0.00 173.24 173.49 1qnj s TRP 38 N -3.15 2.32 -0.09 5.02 0.52 -1.26 0.58 118.94 122.88 1qnj s TRP 38 Ca 0.21 -0.43 0.03 0.00 0.02 0.00 0.00 56.10 55.93 1qnj s TRP 38 Cb 0.02 -1.45 0.01 0.00 -1.15 0.00 0.00 33.47 30.90 1qnj s TRP 38 CO 0.13 0.02 -0.18 0.00 0.02 0.00 0.00 176.95 176.93 1qnj s ALA 39 N -0.68 1.81 0.30 0.98 0.00 -0.04 -4.89 121.76 119.25 1qnj s ALA 39 Ca 0.11 -0.77 -0.29 0.00 0.00 0.00 0.00 51.96 51.01 1qnj s ALA 39 Cb -0.10 -0.76 -0.11 0.00 0.00 0.00 0.00 23.12 22.15 1qnj s ALA 39 CO 0.00 0.13 1.49 -1.58 0.00 0.00 0.00 175.76 175.81 1qnj s HIS 40 N 0.61 2.83 0.00 0.00 2.46 -1.26 -1.17 115.29 118.76 1qnj s HIS 40 Ca -0.14 1.01 0.00 0.00 0.47 0.00 0.00 55.06 56.40 1qnj s HIS 40 Cb -0.16 -3.94 0.00 0.00 -0.13 0.00 0.00 32.58 28.34 1qnj s HIS 40 CO 0.04 -3.00 0.00 -2.37 -2.47 0.00 0.00 174.74 166.94 1qnj n THR 41 N 1.71 0.00 -3.68 0.89 5.66 -0.11 -4.93 114.28 113.82 1qnj n THR 41 Ca 0.05 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.96 1qnj n THR 41 Cb 0.39 -0.47 -0.03 0.00 -1.55 0.00 0.00 70.33 68.67 1qnj n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qnj n GLY 43 N -0.40 0.89 3.81 0.00 0.00 0.71 -0.64 105.19 109.55 1qnj n GLY 43 Ca -0.10 -2.05 -0.02 0.00 0.00 0.00 0.00 46.02 43.85 1qnj n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qnj s GLY 44 N -4.42 -0.09 -0.11 -0.02 0.00 -1.08 -3.40 107.32 98.20 1qnj s GLY 44 Ca 0.51 -0.02 0.01 0.00 0.00 0.00 0.00 44.72 45.22 1qnj s GLY 44 CO 0.33 1.36 -0.14 -1.59 0.00 0.00 0.00 173.10 173.07 1qnj s THR 45 N -2.61 1.39 -0.12 0.90 2.01 0.22 -1.32 115.64 116.11 1qnj s THR 45 Ca 0.18 -0.57 -0.29 0.00 0.31 0.00 0.00 61.69 61.31 1qnj s THR 45 Cb -0.01 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 1qnj s THR 45 CO 0.03 0.42 1.52 -0.22 -0.69 0.00 0.00 174.62 175.67 1qnj s LEU 46 N 1.09 4.21 -0.01 4.42 2.96 -0.05 -0.63 118.68 130.67 1qnj s LEU 46 Ca -0.05 1.95 0.05 0.00 -0.22 0.00 0.00 54.13 55.86 1qnj s LEU 46 Cb -0.14 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 42.94 1qnj s LEU 46 CO -0.03 -0.92 0.12 2.30 -1.32 0.00 0.00 176.35 176.50 1qnj n ILE 47 N 5.59 0.00 -4.17 6.68 -5.35 -0.05 -0.11 119.36 121.95 1qnj n ILE 47 Ca 0.16 -0.16 -0.11 0.00 -0.27 0.00 0.00 62.75 62.37 1qnj n ILE 47 Cb 0.44 0.51 -0.10 0.00 -1.74 0.00 0.00 39.64 38.75 1qnj n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1qnj s ARG 48 N -2.15 1.05 0.54 6.28 1.81 -0.90 -4.74 118.95 120.83 1qnj s ARG 48 Ca -0.01 -1.52 0.36 0.00 -1.72 0.00 0.00 55.73 52.84 1qnj s ARG 48 Cb 0.03 0.25 1.91 0.00 -0.45 0.00 0.00 34.95 36.69 1qnj s ARG 48 CO 0.19 -0.32 2.11 1.96 -0.68 0.00 0.00 175.30 178.57 1qnj h GLN 49 N 2.76 0.00 0.00 3.54 4.20 -1.95 -2.24 115.11 121.41 1qnj h GLN 49 Ca -0.35 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.35 1qnj h GLN 49 Cb 1.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 1qnj h GLN 49 CO 0.56 0.00 -0.18 0.27 -0.67 0.00 0.00 178.83 178.81 1qnj n ASN 50 N -2.82 1.71 -3.86 1.46 6.94 -1.26 -0.96 115.26 116.47 1qnj n ASN 50 Ca -0.02 -2.86 -0.15 0.00 -0.02 0.00 0.00 54.58 51.53 1qnj n ASN 50 Cb 0.10 -0.38 -0.15 0.00 -2.36 0.00 0.00 39.78 36.99 1qnj n ASN 50 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 1qnj s TRP 51 N -2.15 0.19 -0.04 -2.53 0.52 -0.84 -0.65 118.94 113.43 1qnj s TRP 51 Ca 0.25 0.00 0.07 0.00 0.02 0.00 0.00 56.10 56.44 1qnj s TRP 51 Cb 0.22 -0.21 -0.02 0.00 -1.15 0.00 0.00 33.47 32.31 1qnj s TRP 51 CO 0.01 -0.05 -0.24 0.08 0.02 0.00 0.00 176.95 176.77 1qnj s VAL 52 N 0.42 2.21 -0.19 4.03 1.01 -0.21 -0.87 120.40 126.80 1qnj s VAL 52 Ca -0.04 -1.03 -0.13 0.00 0.00 0.00 0.00 61.98 60.78 1qnj s VAL 52 Cb -0.06 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 1qnj s VAL 52 CO -0.01 0.58 0.27 -0.32 0.00 0.00 0.00 175.10 175.62 1qnj s MET 53 N -0.44 4.19 0.14 2.72 1.75 0.20 -0.33 119.30 127.54 1qnj s MET 53 Ca 0.05 0.01 0.02 0.00 -1.25 0.00 0.00 55.69 54.52 1qnj s MET 53 Cb -0.12 -3.48 -0.01 0.00 2.84 0.00 0.00 34.83 34.07 1qnj s MET 53 CO 0.01 0.14 0.14 -2.37 -0.65 0.00 0.00 175.02 172.29 1qnj n THR 54 N 3.91 0.00 -3.10 10.11 5.66 -0.26 -0.61 114.28 129.98 1qnj n THR 54 Ca -0.12 -0.93 -0.39 0.00 -3.05 0.00 0.00 64.05 59.56 1qnj n THR 54 Cb 0.52 0.49 -0.06 0.00 -1.55 0.00 0.00 70.33 69.73 1qnj n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qnj s ALA 55 N -2.42 3.49 0.27 1.79 0.00 -1.26 -1.11 121.76 122.51 1qnj s ALA 55 Ca 0.15 0.21 -0.00 0.00 0.00 0.00 0.00 51.96 52.32 1qnj s ALA 55 Cb 0.00 -2.84 0.52 0.00 0.00 0.00 0.00 23.12 20.81 1qnj s ALA 55 CO 0.11 0.28 1.82 0.00 0.00 0.00 0.00 175.76 177.96 1qnj h ALA 56 N 4.74 1.41 0.00 0.00 0.00 -1.68 -2.26 119.26 121.47 1qnj h ALA 56 Ca -0.47 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1qnj h ALA 56 Cb 1.21 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1qnj h ALA 56 CO 0.66 0.14 -0.10 1.12 0.00 0.00 0.00 179.25 181.07 1qnj h HIS 57 N 0.88 0.00 0.00 0.00 2.07 -1.92 -1.49 115.15 114.69 1qnj h HIS 57 Ca 0.47 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.98 1qnj h HIS 57 Cb 0.51 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.48 1qnj h HIS 57 CO -0.03 0.10 -0.07 0.00 -3.07 0.00 0.00 177.93 174.87 1qnj n VAL 59 N -3.47 2.14 -0.30 0.00 0.24 -0.57 -4.60 118.33 111.77 1qnj n VAL 59 Ca -0.02 -2.31 -0.04 0.00 -2.04 0.00 0.00 64.34 59.93 1qnj n VAL 59 Cb 0.20 -0.26 0.07 0.00 -1.47 0.00 0.00 33.84 32.39 1qnj n VAL 59 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1qnj h ASP 60 N 0.83 0.99 -4.02 -1.34 3.32 -1.45 -3.44 116.42 111.32 1qnj h ASP 60 Ca 0.03 -0.08 -0.46 0.00 0.02 0.00 0.00 57.03 56.55 1qnj h ASP 60 Cb 1.23 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1qnj h ASP 60 CO 0.12 0.78 0.36 -0.13 -1.72 0.00 0.00 179.24 178.65 1qnj s ARG 61 N -5.93 4.20 -0.68 3.56 0.52 -1.26 -4.93 118.95 114.44 1qnj s ARG 61 Ca -0.13 1.26 -0.06 0.00 -0.52 0.00 0.00 55.73 56.27 1qnj s ARG 61 Cb 0.16 -2.32 -0.10 0.00 0.52 0.00 0.00 34.95 33.20 1qnj s ARG 61 CO 0.80 -0.07 3.11 0.39 0.02 0.00 0.00 175.30 179.56 1qnj n GLU 62 N -0.41 2.86 -3.56 3.54 -0.58 -1.26 -4.92 120.64 116.31 1qnj n GLU 62 Ca 0.06 -1.93 -0.20 0.00 -0.42 0.00 0.00 57.16 54.68 1qnj n GLU 62 Cb 0.52 -2.31 -0.01 0.00 -0.57 0.00 0.00 31.44 29.07 1qnj n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1qnj s LEU 63 N -0.73 4.04 -0.29 -4.62 1.43 -1.26 -5.07 118.68 112.17 1qnj s LEU 63 Ca 0.64 -0.05 -0.25 0.00 -1.03 0.00 0.00 54.13 53.44 1qnj s LEU 63 Cb 0.28 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.66 1qnj s LEU 63 CO -0.08 -0.35 0.84 -0.89 0.23 0.00 0.00 176.35 176.10 1qnj s THR 64 N -2.16 4.77 0.08 5.49 2.01 -1.26 -5.01 115.64 119.55 1qnj s THR 64 Ca 0.42 1.38 0.05 0.00 0.31 0.00 0.00 61.69 63.86 1qnj s THR 64 Cb -0.09 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 1qnj s THR 64 CO 0.31 -0.23 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.63 1qnj s PHE 65 N 3.02 2.93 0.10 4.92 0.08 -1.26 -1.11 117.98 126.66 1qnj s PHE 65 Ca 0.35 -0.05 0.03 0.00 0.12 0.00 0.00 56.93 57.37 1qnj s PHE 65 Cb -0.14 -1.52 -0.04 0.00 -0.57 0.00 0.00 43.02 40.74 1qnj s PHE 65 CO 0.11 0.46 -0.08 -0.98 -0.10 0.00 0.00 175.22 174.63 1qnj s ARG 65 N -2.18 0.83 -0.07 0.44 1.70 -0.04 -2.87 118.95 116.76 1qnj s ARG 65 Ca 0.24 -1.24 0.01 0.00 -0.47 0.00 0.00 55.73 54.27 1qnj s ARG 65 Cb -0.11 -0.35 -0.03 0.00 -0.57 0.00 0.00 34.95 33.89 1qnj s ARG 65 CO 0.16 0.03 -0.09 0.08 -1.08 0.00 0.00 175.30 174.40 1qnj s VAL 66 N -3.05 3.52 -0.19 4.99 1.01 0.14 -1.17 120.40 125.64 1qnj s VAL 66 Ca 0.08 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1qnj s VAL 66 Cb 0.01 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1qnj s VAL 66 CO -0.02 0.59 -0.13 -0.69 0.00 0.00 0.00 175.10 174.85 1qnj s VAL 67 N -0.69 2.71 0.19 2.92 1.01 -0.02 -1.16 120.40 125.35 1qnj s VAL 67 Ca 0.10 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1qnj s VAL 67 Cb -0.11 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1qnj s VAL 67 CO 0.01 0.49 0.24 0.68 0.00 0.00 0.00 175.10 176.52 1qnj s VAL 68 N 1.25 4.90 -1.10 2.92 -7.23 -0.53 -1.73 120.40 118.88 1qnj s VAL 68 Ca 0.03 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 1qnj s VAL 68 Cb -0.14 -3.56 0.00 0.00 0.56 0.00 0.00 36.38 33.24 1qnj s VAL 68 CO -0.06 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 1qnj n GLY 69 N -0.74 0.93 3.81 2.32 0.00 -1.24 -1.04 105.19 109.23 1qnj n GLY 69 Ca -0.08 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 1qnj n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qnj s GLU 70 N -3.27 4.09 0.07 1.61 2.56 -1.26 -3.14 118.70 119.36 1qnj s GLU 70 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 54.97 55.54 1qnj s GLU 70 Cb 0.00 -3.25 0.00 0.00 2.00 0.00 0.00 34.13 32.88 1qnj s GLU 70 CO 0.00 0.60 0.00 1.58 -0.56 0.00 0.00 175.26 176.88 1qnj n HIS 71 N 2.00 -0.36 -3.86 5.30 -0.00 -1.26 -4.94 115.22 112.10 1qnj n HIS 71 Ca -0.11 0.06 -0.36 0.00 -0.00 0.00 0.00 57.72 57.31 1qnj n HIS 71 Cb 0.52 0.17 -0.13 0.00 -0.00 0.00 0.00 29.99 30.54 1qnj n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1qnj s ASN 72 N -5.29 4.67 0.58 0.26 3.84 -1.26 -1.40 114.94 116.34 1qnj s ASN 72 Ca 0.00 -0.68 0.34 0.00 0.21 0.00 0.00 52.86 52.72 1qnj s ASN 72 Cb 0.00 -1.78 1.79 0.00 -0.55 0.00 0.00 41.25 40.71 1qnj s ASN 72 CO 0.00 -0.13 2.18 -0.07 -2.79 0.00 0.00 177.10 176.29 1qnj h LEU 73 N 8.13 0.00 -2.10 3.21 3.38 -1.24 -3.07 115.31 123.63 1qnj h LEU 73 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1qnj h LEU 73 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1qnj h LEU 73 CO 0.59 0.05 0.00 0.59 0.09 0.00 0.00 178.44 179.76 1qnj n ASN 74 N -3.44 2.70 -3.81 -0.43 4.13 -1.26 -5.00 115.26 108.15 1qnj n ASN 74 Ca -0.02 -1.79 -0.12 0.00 1.68 0.00 0.00 54.58 54.33 1qnj n ASN 74 Cb 0.17 -0.13 -0.09 0.00 -1.54 0.00 0.00 39.78 38.19 1qnj n ASN 74 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1qnj s GLN 75 N -1.18 0.55 -0.12 3.52 -0.21 -1.16 -5.12 119.66 115.94 1qnj s GLN 75 Ca 0.24 -0.24 -0.29 0.00 0.02 0.00 0.00 55.36 55.08 1qnj s GLN 75 Cb 0.15 0.24 -0.03 0.00 1.00 0.00 0.00 33.01 34.36 1qnj s GLN 75 CO 0.21 -0.14 1.48 1.21 -2.12 0.00 0.00 175.29 175.92 1qnj s ASN 76 N -1.23 6.77 0.13 5.90 2.47 -1.26 -4.61 114.94 123.10 1qnj s ASN 76 Ca -0.13 1.94 0.23 0.00 0.42 0.00 0.00 52.86 55.33 1qnj s ASN 76 Cb -0.06 -2.54 0.12 0.00 -1.45 0.00 0.00 41.25 37.32 1qnj s ASN 76 CO 0.03 -0.88 1.11 0.47 -3.72 0.00 0.00 177.10 174.11 1qnj n ASP 77 N 7.00 0.70 0.00 -4.21 8.00 -1.26 -4.97 116.55 121.82 1qnj n ASP 77 Ca 0.16 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1qnj n ASP 77 Cb 0.44 0.50 0.00 0.00 -0.02 0.00 0.00 41.12 42.04 1qnj n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qnj n GLY 78 N 1.29 0.48 0.00 0.44 0.00 -1.26 -4.85 105.19 101.29 1qnj n GLY 78 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1qnj n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qnj n THR 79 N -2.70 0.00 -2.50 2.61 -2.24 -1.26 -5.09 114.28 103.09 1qnj n THR 79 Ca 0.00 -0.26 -0.35 0.00 -2.27 0.00 0.00 64.05 61.17 1qnj n THR 79 Cb 0.07 1.30 -0.03 0.00 -2.10 0.00 0.00 70.33 69.57 1qnj n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1qnj s GLU 80 N -0.19 3.91 -0.07 -0.78 8.01 -1.19 -4.42 118.70 123.98 1qnj s GLU 80 Ca 0.00 1.47 0.03 0.00 0.01 0.00 0.00 54.97 56.48 1qnj s GLU 80 Cb 0.00 -2.28 0.01 0.00 -4.31 0.00 0.00 34.13 27.55 1qnj s GLU 80 CO 0.00 -0.36 -0.14 -0.65 0.01 0.00 0.00 175.26 174.12 1qnj s GLN 81 N -2.91 1.87 -0.21 1.61 -0.21 -0.21 -4.99 119.66 114.61 1qnj s GLN 81 Ca 0.64 -0.50 -0.05 0.00 0.02 0.00 0.00 55.36 55.47 1qnj s GLN 81 Cb -0.20 -1.53 -0.02 0.00 1.00 0.00 0.00 33.01 32.26 1qnj s GLN 81 CO 0.24 0.08 0.01 0.71 -2.12 0.00 0.00 175.29 174.21 1qnj s TYR 82 N 0.53 3.05 -0.01 0.91 1.51 -1.26 -1.45 117.35 120.62 1qnj s TYR 82 Ca -0.14 -0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 55.46 1qnj s TYR 82 Cb -0.15 -2.10 0.01 0.00 -0.11 0.00 0.00 41.96 39.60 1qnj s TYR 82 CO 0.04 -0.26 0.02 0.08 -1.11 0.00 0.00 175.55 174.33 1qnj s VAL 83 N 1.07 -0.01 0.64 0.71 1.01 -0.31 -5.01 120.40 118.49 1qnj s VAL 83 Ca 0.02 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.90 1qnj s VAL 83 Cb -0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 1qnj s VAL 83 CO 0.02 0.02 1.08 -0.83 0.00 0.00 0.00 175.10 175.38 1qnj s GLY 84 N 0.24 2.04 -0.27 4.51 0.00 -1.26 -0.69 107.32 111.89 1qnj s GLY 84 Ca -0.02 0.39 -0.19 0.00 0.00 0.00 0.00 44.72 44.90 1qnj s GLY 84 CO -0.01 0.72 0.57 0.14 0.00 0.00 0.00 173.10 174.52 1qnj s VAL 85 N -2.53 5.02 -0.13 1.40 1.01 -1.14 -0.81 120.40 123.22 1qnj s VAL 85 Ca 0.64 0.92 0.06 0.00 0.00 0.00 0.00 61.98 63.60 1qnj s VAL 85 Cb -0.17 -3.90 -0.23 0.00 0.00 0.00 0.00 36.38 32.08 1qnj s VAL 85 CO 0.42 0.01 0.31 1.67 0.00 0.00 0.00 175.10 177.51 1qnj n GLN 86 N 5.67 0.68 -3.75 2.72 7.27 0.32 -4.87 117.38 125.43 1qnj n GLN 86 Ca -0.03 0.20 -0.13 0.00 0.07 0.00 0.00 57.00 57.12 1qnj n GLN 86 Cb 0.49 -1.67 -0.10 0.00 2.41 0.00 0.00 30.24 31.37 1qnj n GLN 86 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1qnj s LYS 87 N -2.55 0.45 -0.19 3.69 2.20 -1.01 -4.99 119.74 117.35 1qnj s LYS 87 Ca -0.16 0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.90 1qnj s LYS 87 Cb 0.07 0.22 0.01 0.00 -1.51 0.00 0.00 37.83 36.63 1qnj s LYS 87 CO 0.77 -0.06 -0.17 0.42 -0.36 0.00 0.00 175.35 175.95 1qnj s ILE 88 N 0.07 2.33 -0.34 5.43 1.01 -1.26 -0.84 121.20 127.59 1qnj s ILE 88 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1qnj s ILE 88 Cb -0.03 -2.00 0.09 0.00 0.01 0.00 0.00 42.46 40.53 1qnj s ILE 88 CO 0.01 0.52 0.07 -0.69 0.00 0.00 0.00 174.94 174.85 1qnj s VAL 89 N 1.32 2.79 0.25 2.92 1.01 0.35 -5.00 120.40 124.04 1qnj s VAL 89 Ca 0.05 -1.93 -0.18 0.00 0.00 0.00 0.00 61.98 59.92 1qnj s VAL 89 Cb -0.13 -2.85 -0.08 0.00 0.00 0.00 0.00 36.38 33.32 1qnj s VAL 89 CO -0.11 -0.44 0.73 -0.69 0.00 0.00 0.00 175.10 174.59 1qnj s VAL 90 N 1.09 4.60 0.13 2.92 1.01 -1.26 -0.62 120.40 128.27 1qnj s VAL 90 Ca 0.04 1.19 -0.34 0.00 0.00 0.00 0.00 61.98 62.87 1qnj s VAL 90 Cb -0.21 -3.79 -0.14 0.00 0.00 0.00 0.00 36.38 32.25 1qnj s VAL 90 CO -0.05 0.10 1.59 1.57 0.00 0.00 0.00 175.10 178.31 1qnj n HIS 91 N 0.42 2.22 0.22 5.22 -0.00 -0.77 -4.84 115.22 117.69 1qnj n HIS 91 Ca -0.01 0.27 0.06 0.00 0.46 0.00 0.00 57.72 58.50 1qnj n HIS 91 Cb 0.52 -2.54 0.26 0.00 -0.12 0.00 0.00 29.99 28.11 1qnj n HIS 91 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1qnj n PRO 92 N 3.67 0.05 0.01 1.57 -0.04 -1.26 -1.54 135.00 137.46 1qnj n PRO 92 Ca 0.18 0.45 0.11 0.00 -0.04 0.00 0.00 63.50 64.19 1qnj n PRO 92 Cb 0.28 -1.64 0.07 0.00 -0.04 0.00 0.00 33.50 32.17 1qnj n PRO 92 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1qnj n TYR 93 N -1.74 0.07 -1.83 0.54 4.02 -1.26 -4.96 117.16 111.99 1qnj n TYR 93 Ca 0.01 0.02 -0.41 0.00 -0.01 0.00 0.00 57.90 57.51 1qnj n TYR 93 Cb 0.08 -0.22 -0.01 0.00 -0.02 0.00 0.00 39.34 39.17 1qnj n TYR 93 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 1qnj s TRP 94 N -3.05 2.71 -0.16 -0.72 -0.11 -0.59 -4.91 118.94 112.11 1qnj s TRP 94 Ca 0.08 1.04 -0.01 0.00 1.22 0.00 0.00 56.10 58.42 1qnj s TRP 94 Cb 0.16 -4.00 0.05 0.00 -1.50 0.00 0.00 33.47 28.18 1qnj s TRP 94 CO 0.78 -3.10 -0.02 1.21 -4.62 0.00 0.00 176.95 171.20 1qnj s ASN 95 N 0.10 2.68 0.58 5.86 2.47 -1.26 -5.03 114.94 120.34 1qnj s ASN 95 Ca 0.57 -0.63 0.30 0.00 0.42 0.00 0.00 52.86 53.52 1qnj s ASN 95 Cb -0.46 -0.75 1.79 0.00 -1.45 0.00 0.00 41.25 40.37 1qnj s ASN 95 CO 0.55 -0.22 2.22 0.00 -3.72 0.00 0.00 177.10 175.93 1qnj h THR 96 N 6.42 0.49 -0.20 -5.21 1.03 -1.98 -0.03 112.91 113.43 1qnj h THR 96 Ca -0.21 -0.13 0.00 0.00 -0.01 0.00 0.00 66.41 66.06 1qnj h THR 96 Cb 1.11 1.08 0.00 0.00 -1.07 0.00 0.00 68.15 69.28 1qnj h THR 96 CO 0.36 0.03 0.00 0.47 -0.01 0.00 0.00 175.52 176.37 1qnj n ASP 97 N -3.73 1.28 -3.05 0.00 8.00 -1.26 -4.38 116.55 113.40 1qnj n ASP 97 Ca -0.03 -1.85 -0.18 0.00 0.71 0.00 0.00 54.79 53.45 1qnj n ASP 97 Cb 0.12 -0.13 -0.02 0.00 -0.02 0.00 0.00 41.12 41.07 1qnj n ASP 97 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1qnj n ASP 98 N 0.14 -0.53 -2.08 -2.24 2.03 -0.03 -5.07 116.55 108.77 1qnj n ASP 98 Ca 0.11 -3.01 -0.01 0.00 0.52 0.00 0.00 54.79 52.41 1qnj n ASP 98 Cb 0.23 0.13 -0.01 0.00 -0.72 0.00 0.00 41.12 40.75 1qnj n ASP 98 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1qnj n VAL 99 N 1.04 0.40 0.00 5.18 3.14 -1.25 -4.10 118.33 122.74 1qnj n VAL 99 Ca 0.18 -0.14 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 1qnj n VAL 99 Cb 0.60 -1.25 0.00 0.00 -1.06 0.00 0.00 33.84 32.13 1qnj n VAL 99 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1qnj n ALA 99 N 2.25 0.00 0.00 1.55 0.00 -1.26 -4.79 120.51 118.26 1qnj n ALA 99 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1qnj n ALA 99 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1qnj n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qnj n GLY 100 N 0.00 -1.63 2.35 0.00 0.00 -1.26 -5.01 105.19 99.64 1qnj n GLY 100 Ca 0.00 -1.86 -0.15 0.00 0.00 0.00 0.00 46.02 44.01 1qnj n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qnj n TYR 101 N 0.00 -0.42 -2.47 1.61 4.01 -1.26 -4.66 117.16 113.98 1qnj n TYR 101 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 1qnj n TYR 101 Cb 0.00 -2.92 0.00 0.00 -0.31 0.00 0.00 39.34 36.11 1qnj n TYR 101 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1qnj n ASP 102 N -0.67 4.91 -3.69 7.72 2.03 -1.26 -4.38 116.55 121.22 1qnj n ASP 102 Ca -0.17 -3.00 -0.14 0.00 0.52 0.00 0.00 54.79 52.01 1qnj n ASP 102 Cb 0.57 -1.58 -0.09 0.00 -0.72 0.00 0.00 41.12 39.31 1qnj n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1qnj s ILE 103 N 1.76 0.01 -0.00 5.18 2.07 -1.26 -3.92 121.20 125.04 1qnj s ILE 103 Ca 0.44 -0.08 -0.17 0.00 -1.41 0.00 0.00 60.65 59.42 1qnj s ILE 103 Cb 0.06 -0.73 0.03 0.00 0.13 0.00 0.00 42.46 41.94 1qnj s ILE 103 CO -0.00 -0.05 0.37 0.00 -1.91 0.00 0.00 174.94 173.35 1qnj s ALA 104 N -0.21 -0.92 -0.06 1.50 0.00 -0.27 -1.85 121.76 119.95 1qnj s ALA 104 Ca -0.04 0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.36 1qnj s ALA 104 Cb -0.03 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 1qnj s ALA 104 CO 0.03 -0.32 -0.16 -0.51 0.00 0.00 0.00 175.76 174.79 1qnj s LEU 105 N -1.50 2.61 -0.22 0.00 1.43 0.21 -1.11 118.68 120.10 1qnj s LEU 105 Ca -0.11 -0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 52.69 1qnj s LEU 105 Cb -0.03 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.66 1qnj s LEU 105 CO 0.03 0.30 -0.08 -0.76 0.23 0.00 0.00 176.35 176.08 1qnj s LEU 106 N -0.49 2.82 -0.15 1.79 1.43 0.56 -0.50 118.68 124.14 1qnj s LEU 106 Ca 0.06 -0.54 -0.22 0.00 -1.03 0.00 0.00 54.13 52.40 1qnj s LEU 106 Cb -0.12 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 1qnj s LEU 106 CO 0.01 -0.04 0.68 -0.60 0.23 0.00 0.00 176.35 176.64 1qnj s ARG 107 N 1.41 4.31 0.41 1.70 3.52 -0.02 -1.04 118.95 129.24 1qnj s ARG 107 Ca 0.05 0.77 -0.17 0.00 -0.13 0.00 0.00 55.73 56.25 1qnj s ARG 107 Cb -0.14 -3.53 -0.09 0.00 -1.56 0.00 0.00 34.95 29.63 1qnj s ARG 107 CO -0.05 -0.14 0.87 -0.51 -0.81 0.00 0.00 175.30 174.65 1qnj s LEU 108 N 1.55 3.90 0.43 -0.88 1.43 0.17 -0.52 118.68 124.76 1qnj s LEU 108 Ca 0.33 1.46 0.21 0.00 -1.03 0.00 0.00 54.13 55.10 1qnj s LEU 108 Cb -0.16 -4.32 0.94 0.00 0.03 0.00 0.00 46.19 42.67 1qnj s LEU 108 CO 0.13 -0.36 1.85 0.00 0.23 0.00 0.00 176.35 178.20 1qnj h ALA 109 N 1.73 1.13 -2.76 4.21 0.00 -1.30 -3.43 119.26 118.84 1qnj h ALA 109 Ca -0.48 -0.25 -0.25 0.00 0.00 0.00 0.00 54.91 53.93 1qnj h ALA 109 Cb 1.18 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.74 1qnj h ALA 109 CO 0.63 0.35 -0.72 -0.65 0.00 0.00 0.00 179.25 178.86 1qnj s GLN 110 N -3.86 0.66 -0.01 0.00 1.11 -1.26 -5.03 119.66 111.26 1qnj s GLN 110 Ca -0.01 -1.01 -0.29 0.00 0.01 0.00 0.00 55.36 54.06 1qnj s GLN 110 Cb 0.12 -0.26 -0.03 0.00 -1.01 0.00 0.00 33.01 31.83 1qnj s GLN 110 CO 0.66 0.02 0.95 -1.12 0.01 0.00 0.00 175.29 175.81 1qnj s SER 111 N -2.22 7.32 0.58 5.90 0.01 -1.26 -4.65 113.70 119.38 1qnj s SER 111 Ca -0.00 1.60 -0.14 0.00 1.31 0.00 0.00 55.95 58.72 1qnj s SER 111 Cb -0.03 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.59 1qnj s SER 111 CO -0.02 -0.26 1.02 0.68 0.41 0.00 0.00 173.24 175.07 1qnj s VAL 112 N 1.06 4.48 -0.09 3.43 -7.23 -0.14 -4.98 120.40 116.93 1qnj s VAL 112 Ca 0.50 0.99 -0.21 0.00 -1.81 0.00 0.00 61.98 61.46 1qnj s VAL 112 Cb -0.20 -3.71 -0.04 0.00 0.56 0.00 0.00 36.38 32.98 1qnj s VAL 112 CO 0.26 -0.87 0.58 -0.89 -0.31 0.00 0.00 175.10 173.87 1qnj s THR 113 N -2.87 5.12 0.18 5.32 2.01 -1.26 -4.86 115.64 119.28 1qnj s THR 113 Ca 0.58 1.18 -0.22 0.00 0.31 0.00 0.00 61.69 63.54 1qnj s THR 113 Cb -0.11 -3.92 -0.08 0.00 0.01 0.00 0.00 72.50 68.40 1qnj s THR 113 CO 0.43 0.29 0.72 -0.76 -0.69 0.00 0.00 174.62 174.61 1qnj s LEU 114 N 0.70 4.46 0.00 4.42 1.43 -1.26 -4.80 118.68 123.63 1qnj s LEU 114 Ca 0.31 1.47 -0.04 0.00 -1.03 0.00 0.00 54.13 54.84 1qnj s LEU 114 Cb -0.16 -3.38 0.02 0.00 0.03 0.00 0.00 46.19 42.69 1qnj s LEU 114 CO 0.14 0.13 0.21 -0.46 0.23 0.00 0.00 176.35 176.60 1qnj n ASN 115 N 1.17 -0.45 0.04 2.29 0.23 -0.22 -4.95 115.26 113.37 1qnj n ASN 115 Ca -0.05 -1.28 0.07 0.00 -0.53 0.00 0.00 54.58 52.79 1qnj n ASN 115 Cb 0.50 0.74 0.30 0.00 -2.08 0.00 0.00 39.78 39.24 1qnj n ASN 115 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1qnj n SER 116 N -0.92 0.17 -0.00 0.53 3.41 -1.26 -1.94 113.62 113.62 1qnj n SER 116 Ca -0.01 0.55 0.10 0.00 -0.26 0.00 0.00 58.87 59.25 1qnj n SER 116 Cb 0.13 -0.59 -0.12 0.00 -0.26 0.00 0.00 64.21 63.38 1qnj n SER 116 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1qnj n TYR 117 N -1.70 0.00 -3.61 7.33 4.01 -1.26 -4.72 117.16 117.21 1qnj n TYR 117 Ca 0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.49 1qnj n TYR 117 Cb 0.14 -0.05 -0.16 0.00 -0.31 0.00 0.00 39.34 38.96 1qnj n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1qnj s VAL 118 N -2.94 0.05 0.05 -0.72 1.01 -0.82 -3.70 120.40 113.33 1qnj s VAL 118 Ca 0.06 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 1qnj s VAL 118 Cb 0.15 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 1qnj s VAL 118 CO 0.83 -0.41 0.03 -1.10 0.00 0.00 0.00 175.10 174.45 1qnj s GLN 119 N 2.06 0.64 0.26 2.72 -1.52 -0.71 -1.05 119.66 122.05 1qnj s GLN 119 Ca 0.04 -1.06 -0.30 0.00 -1.95 0.00 0.00 55.36 52.09 1qnj s GLN 119 Cb -0.16 0.24 -0.09 0.00 -0.22 0.00 0.00 33.01 32.77 1qnj s GLN 119 CO -0.17 -0.14 1.11 -0.51 -0.25 0.00 0.00 175.29 175.32 1qnj s LEU 120 N -2.71 4.53 0.21 2.90 1.43 -1.26 -3.32 118.68 120.46 1qnj s LEU 120 Ca 0.03 2.25 -0.30 0.00 -1.03 0.00 0.00 54.13 55.09 1qnj s LEU 120 Cb 0.05 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.56 1qnj s LEU 120 CO -0.09 -0.18 1.15 -0.83 0.23 0.00 0.00 176.35 176.62 1qnj s GLY 121 N -0.66 2.83 -0.11 -3.19 0.00 0.84 -4.81 107.32 102.21 1qnj s GLY 121 Ca 0.46 0.90 -0.27 0.00 0.00 0.00 0.00 44.72 45.81 1qnj s GLY 121 CO 0.40 1.71 0.91 0.14 0.00 0.00 0.00 173.10 176.26 1qnj s VAL 122 N -0.40 4.85 0.12 1.40 1.01 -1.26 -4.80 120.40 121.32 1qnj s VAL 122 Ca 0.50 1.84 -0.00 0.00 0.00 0.00 0.00 61.98 64.32 1qnj s VAL 122 Cb -0.32 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 1qnj s VAL 122 CO 0.38 0.05 0.29 -0.76 0.00 0.00 0.00 175.10 175.06 1qnj s LEU 123 N 1.84 4.32 0.75 3.92 1.43 -1.26 -0.47 118.68 129.21 1qnj s LEU 123 Ca 0.44 0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 53.74 1qnj s LEU 123 Cb -0.18 -3.04 0.04 0.00 0.03 0.00 0.00 46.19 43.05 1qnj s LEU 123 CO 0.17 0.08 1.09 -2.16 0.23 0.00 0.00 176.35 175.76 1qnj s PRO 124 N -2.88 2.38 0.51 1.29 0.04 -1.26 -4.89 135.00 130.19 1qnj s PRO 124 Ca 0.36 1.19 -0.23 0.00 0.04 0.00 0.00 61.00 62.36 1qnj s PRO 124 Cb -0.12 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 1qnj s PRO 124 CO 0.28 -1.55 1.37 1.03 0.04 0.00 0.00 177.00 178.17 1qnj s ARG 125 N -4.79 3.37 0.22 4.56 0.52 -1.26 -4.79 118.95 116.78 1qnj s ARG 125 Ca 0.62 2.27 -0.31 0.00 -0.52 0.00 0.00 55.73 57.78 1qnj s ARG 125 Cb -0.17 -2.41 -0.14 0.00 0.52 0.00 0.00 34.95 32.75 1qnj s ARG 125 CO 0.54 -1.02 1.32 0.00 0.02 0.00 0.00 175.30 176.16 1qnj n ALA 126 N -0.70 0.52 -0.20 2.13 0.00 -1.26 -2.12 120.51 118.89 1qnj n ALA 126 Ca 0.08 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1qnj n ALA 126 Cb 0.44 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1qnj n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qnj n GLY 127 N 2.05 1.52 3.72 0.00 0.00 -0.48 -5.01 105.19 106.98 1qnj n GLY 127 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1qnj n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qnj s THR 128 N -2.81 2.44 -0.10 2.61 2.01 -0.90 -5.00 115.64 113.89 1qnj s THR 128 Ca 0.00 0.31 0.03 0.00 0.31 0.00 0.00 61.69 62.34 1qnj s THR 128 Cb 0.00 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.32 1qnj s THR 128 CO 0.00 0.02 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.12 1qnj s ILE 129 N 1.19 1.82 0.29 1.82 -1.09 -1.26 -4.76 121.20 119.22 1qnj s ILE 129 Ca 0.72 -0.88 -0.25 0.00 -2.23 0.00 0.00 60.65 58.01 1qnj s ILE 129 Cb -0.46 -1.60 -0.09 0.00 -1.58 0.00 0.00 42.46 38.74 1qnj s ILE 129 CO 0.31 0.51 0.89 -0.76 -1.23 0.00 0.00 174.94 174.66 1qnj s LEU 130 N 0.48 4.38 0.70 2.97 1.43 -1.26 -5.03 118.68 122.34 1qnj s LEU 130 Ca -0.17 1.75 -0.17 0.00 -1.03 0.00 0.00 54.13 54.52 1qnj s LEU 130 Cb -0.17 -3.86 0.02 0.00 0.03 0.00 0.00 46.19 42.21 1qnj s LEU 130 CO 0.07 -0.02 1.27 0.00 0.23 0.00 0.00 176.35 177.90 1qnj s ALA 131 N -1.54 2.20 0.43 4.21 0.00 -1.26 -4.88 121.76 120.92 1qnj s ALA 131 Ca 0.47 1.12 -0.24 0.00 0.00 0.00 0.00 51.96 53.31 1qnj s ALA 131 Cb -0.19 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.29 1qnj s ALA 131 CO 0.24 -1.83 0.98 -1.71 0.00 0.00 0.00 175.76 173.43 1qnj n ASN 132 N -2.34 1.10 -1.47 0.00 5.15 -1.26 -2.56 115.26 113.87 1qnj n ASN 132 Ca 0.15 1.02 -0.14 0.00 -0.60 0.00 0.00 54.58 55.01 1qnj n ASN 132 Cb 0.49 -1.34 -0.02 0.00 -0.53 0.00 0.00 39.78 38.38 1qnj n ASN 132 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1qnj n ASN 133 N 0.50 -4.37 -4.77 1.20 5.15 0.39 -4.94 115.26 108.42 1qnj n ASN 133 Ca 0.10 0.07 -0.39 0.00 -0.60 0.00 0.00 54.58 53.75 1qnj n ASN 133 Cb 0.39 -3.44 -0.04 0.00 -0.53 0.00 0.00 39.78 36.16 1qnj n ASN 133 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1qnj s SER 134 N -2.48 6.99 -0.03 1.20 0.01 -1.06 -4.59 113.70 113.74 1qnj s SER 134 Ca 0.00 2.26 -0.30 0.00 1.31 0.00 0.00 55.95 59.22 1qnj s SER 134 Cb 0.00 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 1qnj s SER 134 CO 0.00 -0.34 1.22 -2.16 0.41 0.00 0.00 173.24 172.38 1qnj s PRO 135 N -1.84 4.36 0.06 12.44 0.04 -1.26 -1.28 135.00 147.51 1qnj s PRO 135 Ca 0.50 1.73 -0.07 0.00 0.04 0.00 0.00 61.00 63.19 1qnj s PRO 135 Cb -0.30 -3.52 -0.01 0.00 0.04 0.00 0.00 34.50 30.71 1qnj s PRO 135 CO 0.38 -0.43 0.14 0.00 0.04 0.00 0.00 177.00 177.14 1qnj s TYR 137 N -3.16 2.38 0.17 0.00 2.02 0.27 -1.03 117.35 118.01 1qnj s TYR 137 Ca -0.00 -0.80 -0.17 0.00 -0.37 0.00 0.00 57.07 55.72 1qnj s TYR 137 Cb 0.02 -1.58 -0.07 0.00 -0.40 0.00 0.00 41.96 39.93 1qnj s TYR 137 CO -0.07 -0.28 0.62 -1.50 -1.57 0.00 0.00 175.55 172.75 1qnj s ILE 138 N 0.04 4.73 0.10 2.71 2.07 -0.39 -1.02 121.20 129.43 1qnj s ILE 138 Ca -0.09 1.06 0.06 0.00 -1.41 0.00 0.00 60.65 60.28 1qnj s ILE 138 Cb -0.15 -3.81 -0.03 0.00 0.13 0.00 0.00 42.46 38.60 1qnj s ILE 138 CO 0.05 0.27 -0.16 0.42 -1.91 0.00 0.00 174.94 173.62 1qnj s THR 139 N -1.44 1.37 0.00 4.00 -4.23 -1.20 -1.23 115.64 112.92 1qnj s THR 139 Ca 0.39 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1qnj s THR 139 Cb -0.16 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.29 1qnj s THR 139 CO 0.20 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1qnj n GLY 140 N 0.92 0.34 1.36 3.99 0.00 -0.52 -4.52 105.19 106.76 1qnj n GLY 140 Ca -0.18 -1.14 0.09 0.00 0.00 0.00 0.00 46.02 44.79 1qnj n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1qnj n TRP 141 N -0.75 1.27 -0.76 1.61 8.01 -1.26 -1.55 117.44 124.02 1qnj n TRP 141 Ca 0.00 -0.63 -0.30 0.00 -1.31 0.00 0.00 57.50 55.26 1qnj n TRP 141 Cb 0.00 -0.23 0.26 0.00 -2.01 0.00 0.00 31.31 29.34 1qnj n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1qnj s GLY 142 N -1.07 1.51 0.28 6.99 0.00 -1.25 -1.36 107.32 112.41 1qnj s GLY 142 Ca 0.46 -0.84 -0.29 0.00 0.00 0.00 0.00 44.72 44.05 1qnj s GLY 142 CO 0.21 0.08 1.03 1.04 0.00 0.00 0.00 173.10 175.46 1qnj n LEU 143 N -5.14 1.77 -0.52 0.66 4.77 0.41 -2.22 117.00 116.73 1qnj n LEU 143 Ca 0.12 1.17 0.13 0.00 -0.03 0.00 0.00 56.01 57.40 1qnj n LEU 143 Cb 0.59 -1.28 0.30 0.00 -2.33 0.00 0.00 43.42 40.70 1qnj n LEU 143 CO 0.45 -1.39 0.66 0.35 -1.33 0.00 0.00 177.39 176.13 1qnj n THR 144 N 0.38 0.00 -3.76 -5.08 -2.24 -0.77 -1.00 114.28 101.80 1qnj n THR 144 Ca 0.10 -0.27 -0.12 0.00 -2.27 0.00 0.00 64.05 61.49 1qnj n THR 144 Cb 0.31 0.82 -0.08 0.00 -2.10 0.00 0.00 70.33 69.28 1qnj n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1qnj s ARG 145 N -2.22 0.75 0.18 -0.78 0.52 -1.26 -4.26 118.95 111.88 1qnj s ARG 145 Ca 0.29 -0.41 -0.33 0.00 -0.52 0.00 0.00 55.73 54.76 1qnj s ARG 145 Cb 0.20 0.33 -0.15 0.00 0.52 0.00 0.00 34.95 35.85 1qnj s ARG 145 CO 0.42 -0.23 1.37 2.41 0.02 0.00 0.00 175.30 179.29 1qnj n THR 147 N 0.82 0.57 -2.28 0.02 -1.04 -1.26 -0.63 114.28 110.47 1qnj n THR 147 Ca -0.20 -0.14 -0.18 0.00 -2.04 0.00 0.00 64.05 61.49 1qnj n THR 147 Cb 0.58 -1.22 -0.02 0.00 -1.82 0.00 0.00 70.33 67.85 1qnj n THR 147 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1qnj n ASN 148 N 2.46 -5.12 -0.03 8.00 3.02 -1.26 -4.96 115.26 117.37 1qnj n ASN 148 Ca 0.15 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1qnj n ASN 148 Cb 0.27 -4.33 0.00 0.00 -0.61 0.00 0.00 39.78 35.12 1qnj n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qnj n GLY 149 N -0.85 1.89 3.31 7.41 0.00 0.19 -5.13 105.19 112.00 1qnj n GLY 149 Ca -0.21 -1.81 -0.18 0.00 0.00 0.00 0.00 46.02 43.82 1qnj n GLY 149 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qnj s GLN 150 N 4.44 1.21 0.57 1.61 -2.07 -1.26 -4.92 119.66 119.24 1qnj s GLN 150 Ca 0.00 -1.45 -0.20 0.00 -1.82 0.00 0.00 55.36 51.89 1qnj s GLN 150 Cb 0.00 -1.05 -0.05 0.00 -1.09 0.00 0.00 33.01 30.82 1qnj s GLN 150 CO 0.00 0.19 1.20 1.28 -1.32 0.00 0.00 175.29 176.63 1qnj n LEU 151 N -0.00 4.81 -4.76 2.60 4.77 -1.26 -1.85 117.00 121.31 1qnj n LEU 151 Ca -0.11 0.90 -0.35 0.00 -0.03 0.00 0.00 56.01 56.43 1qnj n LEU 151 Cb 0.59 -1.50 0.03 0.00 -2.33 0.00 0.00 43.42 40.21 1qnj n LEU 151 CO 0.31 -1.13 0.79 0.00 -1.33 0.00 0.00 177.39 176.03 1qnj s ALA 152 N -1.37 2.53 -0.11 -1.18 0.00 -0.47 -4.82 121.76 116.34 1qnj s ALA 152 Ca 0.74 0.80 -0.24 0.00 0.00 0.00 0.00 51.96 53.26 1qnj s ALA 152 Cb -0.42 -3.38 -0.27 0.00 0.00 0.00 0.00 23.12 19.04 1qnj s ALA 152 CO 0.47 -1.13 0.73 1.96 0.00 0.00 0.00 175.76 177.80 1qnj h GLN 153 N 0.63 0.14 -6.09 0.00 4.20 -1.94 -3.45 115.11 108.61 1qnj h GLN 153 Ca -0.49 -0.25 -0.63 0.00 0.06 0.00 0.00 58.65 57.34 1qnj h GLN 153 Cb 1.27 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 29.07 1qnj h GLN 153 CO 0.55 1.12 -0.57 0.95 -0.67 0.00 0.00 178.83 180.21 1qnj s THR 154 N -2.35 4.83 0.20 -0.54 -4.23 -1.26 -0.72 115.64 111.57 1qnj s THR 154 Ca -0.18 -0.63 -0.33 0.00 -1.18 0.00 0.00 61.69 59.38 1qnj s THR 154 Cb 0.00 -3.33 -0.13 0.00 1.34 0.00 0.00 72.50 70.38 1qnj s THR 154 CO 0.74 0.14 1.63 -0.11 -0.54 0.00 0.00 174.62 176.49 1qnj n LEU 155 N 0.43 3.62 -4.72 4.79 7.94 -0.49 -4.83 117.00 123.73 1qnj n LEU 155 Ca -0.08 1.08 -0.28 0.00 -1.11 0.00 0.00 56.01 55.63 1qnj n LEU 155 Cb 0.51 -1.51 -0.07 0.00 0.53 0.00 0.00 43.42 42.89 1qnj n LEU 155 CO 0.46 -0.05 -0.29 -1.10 -1.11 0.00 0.00 177.39 175.30 1qnj s GLN 156 N 0.80 2.64 0.05 1.96 -1.52 -0.59 -0.89 119.66 122.11 1qnj s GLN 156 Ca 0.75 -0.92 0.04 0.00 -1.95 0.00 0.00 55.36 53.29 1qnj s GLN 156 Cb -0.58 -2.53 -0.02 0.00 -0.22 0.00 0.00 33.01 29.65 1qnj s GLN 156 CO 0.37 0.50 -0.13 1.14 -0.25 0.00 0.00 175.29 176.92 1qnj s GLN 157 N -2.76 0.81 -0.00 2.91 -2.07 -0.03 -1.44 119.66 117.08 1qnj s GLN 157 Ca 0.28 -0.80 0.00 0.00 -1.82 0.00 0.00 55.36 53.03 1qnj s GLN 157 Cb -0.10 -0.79 0.00 0.00 -1.09 0.00 0.00 33.01 31.03 1qnj s GLN 157 CO 0.20 0.18 -0.01 0.00 -1.32 0.00 0.00 175.29 174.34 1qnj s ALA 158 N -1.03 0.14 -0.33 2.60 0.00 -0.37 -0.80 121.76 121.97 1qnj s ALA 158 Ca -0.01 -0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.61 1qnj s ALA 158 Cb -0.09 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1qnj s ALA 158 CO 0.01 0.02 1.29 -0.47 0.00 0.00 0.00 175.76 176.61 1qnj s TYR 159 N 0.05 2.69 -0.37 0.00 5.04 -1.26 -1.27 117.35 122.23 1qnj s TYR 159 Ca -0.00 0.86 0.01 0.00 -2.44 0.00 0.00 57.07 55.49 1qnj s TYR 159 Cb -0.02 -3.99 0.12 0.00 0.35 0.00 0.00 41.96 38.43 1qnj s TYR 159 CO -0.00 -1.64 0.17 -0.51 -1.34 0.00 0.00 175.55 172.23 1qnj s LEU 160 N 4.47 2.47 0.56 6.97 1.43 -0.20 -4.95 118.68 129.44 1qnj s LEU 160 Ca 0.55 -2.16 -0.19 0.00 -1.03 0.00 0.00 54.13 51.31 1qnj s LEU 160 Cb -0.15 -0.95 -0.05 0.00 0.03 0.00 0.00 46.19 45.07 1qnj s LEU 160 CO 0.24 -0.34 1.13 -2.84 0.23 0.00 0.00 176.35 174.78 1qnj s PRO 161 N 0.96 3.25 0.68 1.29 0.02 -1.26 -3.83 135.00 136.10 1qnj s PRO 161 Ca 0.14 1.59 -0.15 0.00 0.02 0.00 0.00 61.00 62.60 1qnj s PRO 161 Cb -0.21 -1.99 0.01 0.00 0.02 0.00 0.00 34.50 32.33 1qnj s PRO 161 CO -0.11 -0.93 1.13 0.95 -0.33 0.00 0.00 177.00 177.72 1qnj s THR 162 N -1.84 2.99 -0.23 0.99 -4.23 -0.40 -0.77 115.64 112.15 1qnj s THR 162 Ca 0.72 0.47 0.02 0.00 -1.18 0.00 0.00 61.69 61.71 1qnj s THR 162 Cb -0.24 -2.99 0.05 0.00 1.34 0.00 0.00 72.50 70.66 1qnj s THR 162 CO 0.29 -0.28 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.30 1qnj s VAL 163 N -2.25 1.83 1.04 2.29 1.01 -0.23 -0.47 120.40 123.62 1qnj s VAL 163 Ca 0.69 -1.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 1qnj s VAL 163 Cb -0.23 -1.94 0.21 0.00 0.00 0.00 0.00 36.38 34.42 1qnj s VAL 163 CO 0.42 0.06 1.07 1.51 0.00 0.00 0.00 175.10 178.17 1qnj s ASP 164 N 1.29 2.21 0.17 3.32 1.47 -1.26 -3.98 116.67 119.89 1qnj s ASP 164 Ca -0.05 1.37 -0.14 0.00 1.18 0.00 0.00 52.55 54.92 1qnj s ASP 164 Cb -0.18 -2.07 0.12 0.00 -0.34 0.00 0.00 42.92 40.45 1qnj s ASP 164 CO -0.07 -3.41 1.78 0.22 0.68 0.00 0.00 175.17 174.37 1qnj h TYR 165 N -2.08 0.43 -0.97 2.11 3.20 -1.93 0.27 116.97 117.99 1qnj h TYR 165 Ca -0.56 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.38 1qnj h TYR 165 Cb 1.32 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 39.41 1qnj h TYR 165 CO 0.31 0.21 0.63 0.00 -1.64 0.00 0.00 178.16 177.67 1qnj h ALA 166 N 1.26 1.39 0.00 1.82 0.00 -1.97 0.85 119.26 122.62 1qnj h ALA 166 Ca 0.21 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1qnj h ALA 166 Cb 0.13 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.60 1qnj h ALA 166 CO -0.16 0.50 -0.28 0.82 0.00 0.00 0.00 179.25 180.14 1qnj h ILE 167 N 1.19 1.54 -0.00 0.00 2.04 -1.77 -3.33 117.51 117.19 1qnj h ILE 167 Ca 0.39 -1.97 -0.05 0.00 1.00 0.00 0.00 64.86 64.23 1qnj h ILE 167 Cb 0.05 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 1qnj h ILE 167 CO -0.13 0.54 -0.26 0.00 0.00 0.00 0.00 178.15 178.30 1qnj n SER 169 N -4.23 6.57 0.00 0.00 3.41 0.27 -0.75 113.62 118.88 1qnj n SER 169 Ca -0.02 -3.22 0.00 0.00 -0.26 0.00 0.00 58.87 55.37 1qnj n SER 169 Cb 0.31 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 1qnj n SER 169 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1qnj n SER 170 N 2.36 0.00 0.00 4.04 3.41 -1.26 -3.50 113.62 118.67 1qnj n SER 170 Ca 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 1qnj n SER 170 Cb 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 1qnj n SER 170 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1qnj n TYR 171 N 0.00 0.00 0.80 7.33 4.02 -1.26 -4.81 117.16 123.24 1qnj n TYR 171 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.98 1qnj n TYR 171 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1qnj n TYR 171 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1qnj n TRP 172 N 0.00 0.00 -3.68 -0.72 7.02 0.07 -4.85 117.44 115.27 1qnj n TRP 172 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1qnj n TRP 172 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1qnj n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1qnj n GLY 173 N 1.23 2.14 0.17 6.99 0.00 -1.23 -2.35 105.19 112.13 1qnj n GLY 173 Ca 0.08 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.81 1qnj n GLY 173 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qnj h SER 174 N 7.17 0.00 -0.34 1.61 4.64 -1.93 -3.09 113.55 121.61 1qnj h SER 174 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1qnj h SER 174 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1qnj h SER 174 CO 0.00 0.00 -0.04 0.74 -0.87 0.00 0.00 176.83 176.66 1qnj h THR 175 N 0.00 1.24 -3.45 2.95 2.02 -1.84 -3.42 112.91 110.42 1qnj h THR 175 Ca 0.00 -1.03 -0.54 0.00 0.77 0.00 0.00 66.41 65.61 1qnj h THR 175 Cb 0.14 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 1qnj h THR 175 CO 0.00 0.36 0.12 -0.69 0.37 0.00 0.00 175.52 175.67 1qnj s VAL 176 N -4.90 4.48 0.29 3.16 1.01 -1.17 -4.75 120.40 118.52 1qnj s VAL 176 Ca -0.09 1.54 0.10 0.00 0.00 0.00 0.00 61.98 63.53 1qnj s VAL 176 Cb 0.14 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1qnj s VAL 176 CO 0.81 0.51 -0.05 -0.54 0.00 0.00 0.00 175.10 175.83 1qnj s LYS 177 N -1.20 2.06 0.17 2.72 -0.14 -1.26 -4.88 119.74 117.21 1qnj s LYS 177 Ca 0.34 -1.62 0.18 0.00 -1.36 0.00 0.00 55.97 53.51 1qnj s LYS 177 Cb -0.22 -1.98 0.80 0.00 -1.68 0.00 0.00 37.83 34.75 1qnj s LYS 177 CO 0.24 0.28 1.55 -1.71 -0.76 0.00 0.00 175.35 174.95 1qnj n ASN 178 N -0.85 0.39 -0.21 2.83 5.15 -1.26 -1.59 115.26 119.71 1qnj n ASN 178 Ca -0.05 0.62 0.03 0.00 -0.60 0.00 0.00 54.58 54.57 1qnj n ASN 178 Cb 0.60 -0.69 0.11 0.00 -0.53 0.00 0.00 39.78 39.27 1qnj n ASN 178 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1qnj n SER 179 N -1.95 0.62 -4.38 1.20 3.41 -1.26 -4.84 113.62 106.41 1qnj n SER 179 Ca 0.02 -1.94 -0.21 0.00 -0.26 0.00 0.00 58.87 56.48 1qnj n SER 179 Cb 0.15 -0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 63.92 1qnj n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1qnj s MET 180 N -1.85 1.43 -0.09 4.33 -1.94 -0.62 -0.90 119.30 119.64 1qnj s MET 180 Ca 0.11 -1.62 0.02 0.00 -1.71 0.00 0.00 55.69 52.49 1qnj s MET 180 Cb 0.05 -1.35 -0.02 0.00 2.01 0.00 0.00 34.83 35.53 1qnj s MET 180 CO 0.08 0.24 -0.16 0.08 -0.01 0.00 0.00 175.02 175.25 1qnj s VAL 181 N -2.68 2.84 -0.05 -6.03 1.01 0.43 -4.69 120.40 111.22 1qnj s VAL 181 Ca 0.24 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 1qnj s VAL 181 Cb -0.03 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1qnj s VAL 181 CO 0.09 0.55 0.12 0.00 0.00 0.00 0.00 175.10 175.87 1qnj s ALA 183 N -1.16 -0.95 0.00 0.00 0.00 -0.52 -1.06 121.76 118.06 1qnj s ALA 183 Ca 0.21 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1qnj s ALA 183 Cb -0.12 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.37 1qnj s ALA 183 CO 0.11 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.10 1qnj n GLY 184 N 2.88 0.94 1.84 0.00 0.00 0.05 -1.17 105.19 109.72 1qnj n GLY 184 Ca -0.13 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1qnj n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qnj n GLY 185 N 0.00 0.46 0.20 -0.02 0.00 -1.26 -4.68 105.19 99.88 1qnj n GLY 185 Ca 0.00 -0.75 0.15 0.00 0.00 0.00 0.00 46.02 45.42 1qnj n GLY 185 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qnj n ASP 186 N 1.36 0.67 0.00 1.61 5.75 -1.26 -1.45 116.55 123.22 1qnj n ASP 186 Ca 0.00 -0.98 0.00 0.00 -0.01 0.00 0.00 54.79 53.80 1qnj n ASP 186 Cb 0.00 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 1qnj n ASP 186 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qnj n GLY 187 N 1.17 1.14 0.90 6.12 0.00 -1.26 -4.79 105.19 108.46 1qnj n GLY 187 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1qnj n GLY 187 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qnj n VAL 188 N -2.00 0.00 -4.63 1.61 0.31 -1.26 -4.65 118.33 107.70 1qnj n VAL 188 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 1qnj n VAL 188 Cb 0.00 -1.34 -0.11 0.00 -0.91 0.00 0.00 33.84 31.47 1qnj n VAL 188 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1qnj s ARG 188 N -2.00 2.74 -0.02 5.55 0.52 -1.26 -3.74 118.95 120.75 1qnj s ARG 188 Ca 0.00 -0.55 -0.30 0.00 -0.52 0.00 0.00 55.73 54.36 1qnj s ARG 188 Cb 0.00 -2.58 0.11 0.00 0.52 0.00 0.00 34.95 32.99 1qnj s ARG 188 CO 0.00 0.66 1.03 -1.54 0.02 0.00 0.00 175.30 175.47 1qnj s SER 189 N -0.82 -0.23 0.94 0.23 1.04 -0.69 -4.37 113.70 109.80 1qnj s SER 189 Ca 0.12 -0.10 -0.12 0.00 0.48 0.00 0.00 55.95 56.33 1qnj s SER 189 Cb -0.11 0.32 0.15 0.00 0.10 0.00 0.00 66.02 66.48 1qnj s SER 189 CO 0.01 -0.54 1.10 -0.83 0.98 0.00 0.00 173.24 173.96 1qnj s GLY 190 N -2.57 1.59 0.31 7.32 0.00 -1.26 -0.82 107.32 111.89 1qnj s GLY 190 Ca 0.09 -0.25 -0.05 0.00 0.00 0.00 0.00 44.72 44.51 1qnj s GLY 190 CO -0.05 0.30 0.50 0.00 0.00 0.00 0.00 173.10 173.85 1qnj s GLN 192 N -2.49 4.11 0.00 0.00 1.11 -1.26 -1.34 119.66 119.79 1qnj s GLN 192 Ca 0.21 2.58 0.00 0.00 0.01 0.00 0.00 55.36 58.17 1qnj s GLN 192 Cb -0.02 -2.99 0.00 0.00 -1.01 0.00 0.00 33.01 28.99 1qnj s GLN 192 CO 0.15 -0.59 0.00 0.41 0.01 0.00 0.00 175.29 175.27 1qnj n GLY 193 N 1.35 1.02 0.11 3.09 0.00 -1.26 -0.44 105.19 109.06 1qnj n GLY 193 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1qnj n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qnj h ASP 194 N 0.00 0.00 -2.77 1.61 3.32 -1.49 -3.30 116.42 113.78 1qnj h ASP 194 Ca 0.00 -0.07 -0.59 0.00 0.02 0.00 0.00 57.03 56.39 1qnj h ASP 194 Cb 0.00 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.68 1qnj h ASP 194 CO 0.00 0.03 0.01 -1.20 -1.72 0.00 0.00 179.24 176.36 1qnj n SER 195 N -2.54 0.70 0.00 6.45 7.64 -1.26 -1.82 113.62 122.79 1qnj n SER 195 Ca 0.01 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.91 1qnj n SER 195 Cb 0.52 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 1qnj n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qnj n GLY 196 N 1.35 3.11 3.94 0.23 0.00 0.38 -0.21 105.19 113.99 1qnj n GLY 196 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1qnj n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qnj s GLY 197 N -1.68 1.82 0.41 -0.02 0.00 -0.76 -3.23 107.32 103.87 1qnj s GLY 197 Ca 0.00 -1.33 -0.15 0.00 0.00 0.00 0.00 44.72 43.24 1qnj s GLY 197 CO 0.00 -0.50 0.84 2.56 0.00 0.00 0.00 173.10 176.00 1qnj s PRO 198 N -5.95 3.96 -0.27 2.90 0.04 -1.26 -0.84 135.00 133.58 1qnj s PRO 198 Ca 0.76 0.75 -0.06 0.00 0.04 0.00 0.00 61.00 62.50 1qnj s PRO 198 Cb -0.02 -2.31 0.01 0.00 0.04 0.00 0.00 34.50 32.21 1qnj s PRO 198 CO 0.54 -0.02 0.04 -1.17 0.04 0.00 0.00 177.00 176.43 1qnj s LEU 199 N -3.50 3.58 -0.27 -3.56 2.96 -0.43 -3.21 118.68 114.24 1qnj s LEU 199 Ca 0.56 -0.65 -0.11 0.00 -0.22 0.00 0.00 54.13 53.71 1qnj s LEU 199 Cb -0.10 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 1qnj s LEU 199 CO 0.24 -0.14 0.20 -1.00 -1.32 0.00 0.00 176.35 174.32 1qnj s HIS 200 N 1.48 3.24 -0.02 5.38 3.76 -0.19 -1.05 115.29 127.89 1qnj s HIS 200 Ca 0.03 0.17 0.07 0.00 -0.15 0.00 0.00 55.06 55.18 1qnj s HIS 200 Cb -0.17 -2.38 -0.02 0.00 1.11 0.00 0.00 32.58 31.13 1qnj s HIS 200 CO 0.01 -0.12 -0.23 0.00 -0.85 0.00 0.00 174.74 173.55 1qnj s LEU 202 N -0.52 4.21 -0.05 0.00 2.96 -0.88 -1.45 118.68 122.94 1qnj s LEU 202 Ca 0.08 0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 54.24 1qnj s LEU 202 Cb -0.09 -2.84 0.03 0.00 0.50 0.00 0.00 46.19 43.78 1qnj s LEU 202 CO -0.01 -0.60 -0.00 -0.69 -1.32 0.00 0.00 176.35 173.73 1qnj s VAL 203 N 2.77 0.34 -1.61 1.68 1.01 -0.42 -4.73 120.40 119.44 1qnj s VAL 203 Ca 0.26 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.23 1qnj s VAL 203 Cb -0.14 -0.46 0.08 0.00 0.00 0.00 0.00 36.38 35.86 1qnj s VAL 203 CO 0.14 0.22 0.43 0.59 0.00 0.00 0.00 175.10 176.49 1qnj n ASN 204 N 4.71 -1.00 0.00 3.32 3.02 -1.26 -1.59 115.26 122.47 1qnj n ASN 204 Ca -0.15 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 1qnj n ASN 204 Cb 0.50 -2.32 0.00 0.00 -0.61 0.00 0.00 39.78 37.35 1qnj n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qnj n GLY 205 N -1.85 1.60 3.22 7.41 0.00 -1.26 -5.01 105.19 109.30 1qnj n GLY 205 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1qnj n GLY 205 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1qnj s GLN 206 N -0.19 2.41 0.20 1.61 0.74 -0.62 -5.10 119.66 118.71 1qnj s GLN 206 Ca 0.00 -0.82 -0.30 0.00 0.05 0.00 0.00 55.36 54.29 1qnj s GLN 206 Cb 0.00 -2.02 -0.08 0.00 1.10 0.00 0.00 33.01 32.01 1qnj s GLN 206 CO 0.00 0.32 1.04 0.71 -0.55 0.00 0.00 175.29 176.80 1qnj s TYR 207 N -0.03 3.73 0.09 1.67 2.02 -1.26 -1.30 117.35 122.26 1qnj s TYR 207 Ca -0.06 1.73 0.03 0.00 -0.37 0.00 0.00 57.07 58.40 1qnj s TYR 207 Cb -0.14 -3.17 -0.04 0.00 -0.40 0.00 0.00 41.96 38.22 1qnj s TYR 207 CO 0.04 -0.19 -0.09 0.00 -1.57 0.00 0.00 175.55 173.74 1qnj s ALA 208 N -0.62 0.99 -0.69 3.71 0.00 -0.53 -4.70 121.76 119.93 1qnj s ALA 208 Ca 0.46 -1.15 -0.21 0.00 0.00 0.00 0.00 51.96 51.05 1qnj s ALA 208 Cb -0.28 0.06 0.08 0.00 0.00 0.00 0.00 23.12 22.98 1qnj s ALA 208 CO 0.35 -0.08 0.95 0.08 0.00 0.00 0.00 175.76 177.06 1qnj s VAL 209 N -2.52 4.45 -0.40 0.00 1.01 0.38 -0.65 120.40 122.68 1qnj s VAL 209 Ca 0.04 -0.62 0.23 0.00 0.00 0.00 0.00 61.98 61.63 1qnj s VAL 209 Cb -0.02 -4.67 0.06 0.00 0.00 0.00 0.00 36.38 31.74 1qnj s VAL 209 CO -0.01 -1.42 1.21 0.45 0.00 0.00 0.00 175.10 175.33 1qnj h HIS 210 N 9.41 0.00 -3.93 5.22 3.86 -1.41 -3.38 115.15 124.93 1qnj h HIS 210 Ca -0.23 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.72 1qnj h HIS 210 Cb 1.07 0.00 -0.20 0.00 1.06 0.00 0.00 27.41 29.34 1qnj h HIS 210 CO 0.98 0.00 -0.72 0.20 0.86 0.00 0.00 177.93 179.24 1qnj s GLY 211 N -4.10 0.58 -0.24 2.45 0.00 -1.14 -1.51 107.32 103.35 1qnj s GLY 211 Ca 0.03 -0.92 -0.01 0.00 0.00 0.00 0.00 44.72 43.81 1qnj s GLY 211 CO 0.75 -0.99 -0.08 0.14 0.00 0.00 0.00 173.10 172.93 1qnj s VAL 212 N -1.98 2.81 0.15 1.40 1.01 -0.65 -1.32 120.40 121.82 1qnj s VAL 212 Ca -0.04 -0.96 -0.32 0.00 0.00 0.00 0.00 61.98 60.66 1qnj s VAL 212 Cb -0.06 -2.39 -0.12 0.00 0.00 0.00 0.00 36.38 33.82 1qnj s VAL 212 CO -0.01 0.27 1.75 0.41 0.00 0.00 0.00 175.10 177.52 1qnj n THR 213 N 4.67 0.18 0.01 3.92 -1.04 -0.02 -0.50 114.28 121.50 1qnj n THR 213 Ca -0.17 -0.03 -0.03 0.00 -2.04 0.00 0.00 64.05 61.78 1qnj n THR 213 Cb 0.48 -1.95 -0.01 0.00 -1.82 0.00 0.00 70.33 67.03 1qnj n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1qnj n SER 214 N 4.69 0.97 -3.62 8.00 2.88 0.12 -0.47 113.62 126.19 1qnj n SER 214 Ca 0.17 0.14 -0.11 0.00 -1.33 0.00 0.00 58.87 57.75 1qnj n SER 214 Cb 0.34 -0.33 -0.04 0.00 -0.75 0.00 0.00 64.21 63.44 1qnj n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1qnj s PHE 215 N -2.14 -0.25 0.35 0.66 -0.71 -0.73 -4.94 117.98 110.22 1qnj s PHE 215 Ca -0.06 -0.06 0.04 0.00 -1.04 0.00 0.00 56.93 55.81 1qnj s PHE 215 Cb 0.01 0.35 -0.06 0.00 -1.21 0.00 0.00 43.02 42.11 1qnj s PHE 215 CO 0.08 -0.78 0.06 0.14 -1.34 0.00 0.00 175.22 173.38 1qnj s VAL 216 N -3.81 1.23 0.50 -2.49 -7.23 -1.26 -1.35 120.40 105.99 1qnj s VAL 216 Ca 0.04 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.00 1qnj s VAL 216 Cb 0.01 -2.76 -0.06 0.00 0.56 0.00 0.00 36.38 34.12 1qnj s VAL 216 CO -0.10 0.00 1.17 -0.55 -0.31 0.00 0.00 175.10 175.31 1qnj s SER 217 N -3.53 5.88 0.57 4.85 0.15 -1.23 -4.90 113.70 115.49 1qnj s SER 217 Ca 0.34 2.30 0.32 0.00 0.70 0.00 0.00 55.95 59.62 1qnj s SER 217 Cb 0.08 -2.60 1.73 0.00 -1.71 0.00 0.00 66.02 63.53 1qnj s SER 217 CO 0.15 -1.12 2.17 0.03 1.20 0.00 0.00 173.24 175.67 1qnj h ARG 217 N 1.63 0.00 -0.01 5.44 3.08 -2.00 -2.51 114.38 120.00 1qnj h ARG 217 Ca -0.50 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.40 1qnj h ARG 217 Cb 1.26 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.29 1qnj h ARG 217 CO 0.58 0.06 -0.68 -0.07 -1.07 0.00 0.00 179.97 178.79 1qnj h LEU 218 N 0.00 0.09 0.00 3.04 3.38 -2.05 -3.48 115.31 116.29 1qnj h LEU 218 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1qnj h LEU 218 Cb 0.21 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1qnj h LEU 218 CO 0.01 0.74 0.00 0.61 0.09 0.00 0.00 178.44 179.89 1qnj n GLY 219 N 0.43 1.74 0.15 0.83 0.00 -0.95 -5.05 105.19 102.35 1qnj n GLY 219 Ca -0.02 -0.87 -0.05 0.00 0.00 0.00 0.00 46.02 45.08 1qnj n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qnj s ASN 221 N -4.11 6.96 -0.12 0.00 4.22 -1.26 -4.71 114.94 115.93 1qnj s ASN 221 Ca -0.05 -2.83 0.02 0.00 -2.14 0.00 0.00 52.86 47.86 1qnj s ASN 221 Cb 0.00 -2.32 -0.01 0.00 1.28 0.00 0.00 41.25 40.20 1qnj s ASN 221 CO 0.15 -0.70 -0.18 -0.69 -2.04 0.00 0.00 177.10 173.64 1qnj s VAL 221 N 0.98 2.55 0.28 3.54 1.01 -1.26 -4.61 120.40 122.90 1qnj s VAL 221 Ca 0.33 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 1qnj s VAL 221 Cb -0.06 -2.03 -0.11 0.00 0.00 0.00 0.00 36.38 34.18 1qnj s VAL 221 CO -0.06 0.54 1.55 -0.89 0.00 0.00 0.00 175.10 176.24 1qnj s THR 222 N 0.40 2.25 -1.43 3.92 2.01 -1.26 -1.59 115.64 119.93 1qnj s THR 222 Ca -0.14 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1qnj s THR 222 Cb -0.17 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.21 1qnj s THR 222 CO 0.07 0.03 0.00 0.54 -0.69 0.00 0.00 174.62 174.57 1qnj n ARG 223 N 2.22 -1.08 -3.44 4.92 1.74 -0.53 -4.92 116.66 115.59 1qnj n ARG 223 Ca 0.08 0.96 -0.27 0.00 -0.77 0.00 0.00 57.85 57.85 1qnj n ARG 223 Cb 0.38 -5.09 -0.08 0.00 -1.02 0.00 0.00 32.46 26.65 1qnj n ARG 223 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1qnj n LYS 224 N -2.33 2.00 -1.14 5.56 4.76 -0.62 -4.20 118.16 122.19 1qnj n LYS 224 Ca -0.13 -4.31 -0.34 0.00 -2.87 0.00 0.00 58.31 50.65 1qnj n LYS 224 Cb 0.48 -2.04 0.12 0.00 -1.84 0.00 0.00 35.03 31.75 1qnj n LYS 224 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1qnj n PRO 225 N 1.17 0.23 -2.00 1.97 -0.04 -1.26 -4.53 135.00 130.53 1qnj n PRO 225 Ca 0.27 0.15 -0.40 0.00 -0.04 0.00 0.00 63.50 63.48 1qnj n PRO 225 Cb 0.43 -2.35 -0.01 0.00 -0.04 0.00 0.00 33.50 31.54 1qnj n PRO 225 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1qnj s THR 226 N -2.07 2.50 -0.11 0.52 2.01 -0.32 -4.74 115.64 113.43 1qnj s THR 226 Ca 0.72 0.47 0.01 0.00 0.31 0.00 0.00 61.69 63.20 1qnj s THR 226 Cb -0.30 -3.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 1qnj s THR 226 CO 0.52 0.09 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.72 1qnj s VAL 227 N -1.21 3.19 0.06 3.82 1.01 -0.46 -1.44 120.40 125.37 1qnj s VAL 227 Ca 0.55 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.97 1qnj s VAL 227 Cb -0.40 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1qnj s VAL 227 CO 0.53 0.54 -0.20 -0.36 0.00 0.00 0.00 175.10 175.61 1qnj s PHE 228 N -0.02 1.70 0.18 5.22 0.40 0.32 -0.70 117.98 125.09 1qnj s PHE 228 Ca -0.03 -0.38 -0.31 0.00 -0.60 0.00 0.00 56.93 55.61 1qnj s PHE 228 Cb -0.14 -0.99 -0.09 0.00 0.51 0.00 0.00 43.02 42.30 1qnj s PHE 228 CO 0.04 0.11 1.47 0.99 0.70 0.00 0.00 175.22 178.53 1qnj s THR 229 N -0.92 2.85 -0.56 0.64 2.01 0.34 -0.43 115.64 119.57 1qnj s THR 229 Ca 0.06 0.64 -0.28 0.00 0.31 0.00 0.00 61.69 62.42 1qnj s THR 229 Cb -0.09 -3.41 0.02 0.00 0.01 0.00 0.00 72.50 69.03 1qnj s THR 229 CO 0.02 0.07 1.27 -0.60 -0.69 0.00 0.00 174.62 174.70 1qnj s ARG 230 N 0.62 3.46 0.31 4.92 3.52 -0.08 -1.64 118.95 130.06 1qnj s ARG 230 Ca 0.65 0.36 0.04 0.00 -0.13 0.00 0.00 55.73 56.65 1qnj s ARG 230 Cb -0.41 -4.05 0.64 0.00 -1.56 0.00 0.00 34.95 29.57 1qnj s ARG 230 CO 0.35 -1.75 1.88 0.28 -0.81 0.00 0.00 175.30 175.25 1qnj h VAL 231 N 6.25 0.95 0.00 7.11 2.07 -1.56 -1.36 116.25 129.70 1qnj h VAL 231 Ca -0.26 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1qnj h VAL 231 Cb 1.07 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1qnj h VAL 231 CO 1.18 0.16 0.00 -1.54 0.02 0.00 0.00 177.57 177.39 1qnj n SER 232 N -4.55 0.00 0.01 0.57 3.41 -1.26 -0.75 113.62 111.05 1qnj n SER 232 Ca 0.16 0.35 0.13 0.00 -0.26 0.00 0.00 58.87 59.25 1qnj n SER 232 Cb 0.33 -0.42 0.44 0.00 -0.26 0.00 0.00 64.21 64.30 1qnj n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qnj n ALA 233 N -1.42 2.83 -0.19 7.33 0.00 -0.51 -1.38 120.51 127.17 1qnj n ALA 233 Ca 0.04 -0.20 0.02 0.00 0.00 0.00 0.00 53.44 53.30 1qnj n ALA 233 Cb 0.13 -1.32 0.02 0.00 0.00 0.00 0.00 19.45 18.29 1qnj n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qnj n TYR 234 N -1.59 0.00 -0.18 0.00 4.01 0.08 -4.79 117.16 114.69 1qnj n TYR 234 Ca 0.06 -0.57 -0.06 0.00 -0.16 0.00 0.00 57.90 57.16 1qnj n TYR 234 Cb 0.35 -0.07 0.03 0.00 -0.31 0.00 0.00 39.34 39.34 1qnj n TYR 234 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1qnj h ILE 235 N 0.04 1.11 -0.72 -0.72 1.08 -1.71 -0.01 117.51 116.59 1qnj h ILE 235 Ca 0.00 -0.24 -0.07 0.00 -0.39 0.00 0.00 64.86 64.17 1qnj h ILE 235 Cb 0.59 0.37 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 1qnj h ILE 235 CO 0.00 0.13 0.18 0.28 -0.69 0.00 0.00 178.15 178.04 1qnj h SER 236 N 0.69 1.09 -0.02 1.72 0.02 -1.91 -0.52 113.55 114.61 1qnj h SER 236 Ca 0.20 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1qnj h SER 236 Cb -0.06 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.18 1qnj h SER 236 CO -0.05 1.04 -0.04 -0.25 -1.14 0.00 0.00 176.83 176.38 1qnj h TRP 237 N 1.09 -0.10 -0.19 3.45 7.01 -1.76 0.19 115.95 125.63 1qnj h TRP 237 Ca 0.23 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.27 1qnj h TRP 237 Cb 0.37 0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.45 1qnj h TRP 237 CO 0.03 -0.07 -0.04 0.82 -2.79 0.00 0.00 178.44 176.39 1qnj h ILE 238 N -0.07 0.81 -0.73 2.65 2.04 -0.82 -0.56 117.51 120.84 1qnj h ILE 238 Ca 0.03 -0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 1qnj h ILE 238 Cb 0.10 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1qnj h ILE 238 CO -0.06 0.00 0.25 0.78 0.00 0.00 0.00 178.15 179.12 1qnj h ASN 239 N 0.01 1.04 -0.80 1.72 2.35 -0.90 -1.43 115.58 117.56 1qnj h ASN 239 Ca 0.09 -0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 1qnj h ASN 239 Cb 0.14 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 1qnj h ASN 239 CO -0.19 0.96 0.36 0.78 -1.65 0.00 0.00 177.43 177.69 1qnj h ASN 240 N 1.06 1.07 -0.25 5.81 2.35 -0.09 -1.48 115.58 124.06 1qnj h ASN 240 Ca 0.24 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1qnj h ASN 240 Cb 0.27 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1qnj h ASN 240 CO -0.01 0.92 -0.04 0.58 -1.65 0.00 0.00 177.43 177.23 1qnj h VAL 241 N 1.16 1.28 -0.52 2.81 2.07 -0.70 -2.38 116.25 119.96 1qnj h VAL 241 Ca 0.27 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.70 1qnj h VAL 241 Cb 0.15 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1qnj h VAL 241 CO -0.03 0.32 -0.01 0.40 0.02 0.00 0.00 177.57 178.26 1qnj h ILE 242 N 0.22 1.25 0.00 4.57 2.04 -1.15 -1.79 117.51 122.65 1qnj h ILE 242 Ca 0.07 -1.08 -0.08 0.00 1.00 0.00 0.00 64.86 64.77 1qnj h ILE 242 Cb 0.49 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1qnj h ILE 242 CO 0.02 0.38 -0.40 0.00 0.00 0.00 0.00 178.15 178.15 1qnj h ALA 243 N 1.17 1.21 -0.30 1.87 0.00 -1.22 -2.87 119.26 119.12 1qnj h ALA 243 Ca 0.15 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1qnj h ALA 243 Cb 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1qnj h ALA 243 CO 0.03 0.50 0.00 -1.13 0.00 0.00 0.00 179.25 178.65 1qnj n SER 244 N -3.87 3.29 0.00 0.00 3.41 -0.90 -5.10 113.62 110.45 1qnj n SER 244 Ca -0.01 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 1qnj n SER 244 Cb 0.46 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1qnj n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47