#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qqn s VAL 2 N 0.00 3.63 0.14 6.31 1.01 -1.26 -4.01 120.40 126.21 2qqn s VAL 2 Ca 0.00 0.70 -0.04 0.00 0.00 0.00 0.00 61.98 62.65 2qqn s VAL 2 Cb 0.00 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 2qqn s VAL 2 CO 0.00 -0.29 0.13 -1.10 0.00 0.00 0.00 175.10 173.84 2qqn s GLN 3 N 4.81 0.98 -0.12 2.72 -1.52 -0.26 -5.01 119.66 121.27 2qqn s GLN 3 Ca 0.74 -1.34 0.03 0.00 -1.95 0.00 0.00 55.36 52.84 2qqn s GLN 3 Cb -0.25 0.29 0.01 0.00 -0.22 0.00 0.00 33.01 32.83 2qqn s GLN 3 CO 0.30 -0.30 -0.21 -0.51 -0.25 0.00 0.00 175.29 174.32 2qqn s LEU 4 N -3.01 2.03 -0.28 2.90 1.43 -1.26 -0.26 118.68 120.22 2qqn s LEU 4 Ca 0.21 -0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 52.70 2qqn s LEU 4 Cb 0.06 -1.36 0.01 0.00 0.03 0.00 0.00 46.19 44.93 2qqn s LEU 4 CO 0.00 0.10 0.05 -0.69 0.23 0.00 0.00 176.35 176.04 2qqn s VAL 5 N 0.68 3.74 0.13 -1.59 1.01 0.25 -4.14 120.40 120.49 2qqn s VAL 5 Ca -0.11 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.15 2qqn s VAL 5 Cb -0.16 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2qqn s VAL 5 CO 0.02 0.13 0.28 -1.61 0.00 0.00 0.00 175.10 173.92 2qqn s GLU 6 N 1.47 3.45 0.16 2.72 2.02 -1.26 0.56 118.70 127.82 2qqn s GLU 6 Ca 0.02 -0.52 -0.17 0.00 0.02 0.00 0.00 54.97 54.32 2qqn s GLU 6 Cb -0.17 -2.97 0.04 0.00 0.10 0.00 0.00 34.13 31.13 2qqn s GLU 6 CO 0.01 0.53 0.48 0.45 0.02 0.00 0.00 175.26 176.74 2qqn s SER 7 N -3.04 -0.29 0.00 -0.19 0.15 -0.64 -4.96 113.70 104.73 2qqn s SER 7 Ca 0.35 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2qqn s SER 7 Cb -0.11 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 2qqn s SER 7 CO 0.28 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.38 2qqn n GLY 8 N -0.29 0.88 3.78 9.45 0.00 -1.26 -1.15 105.19 116.60 2qqn n GLY 8 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 2qqn n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qqn s GLY 9 N -1.21 2.79 0.00 -0.02 0.00 -1.26 -4.57 107.32 103.04 2qqn s GLY 9 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 44.72 45.45 2qqn s GLY 9 CO 0.00 1.18 0.00 0.61 0.00 0.00 0.00 173.10 174.89 2qqn n GLY 10 N 0.47 1.40 3.65 0.20 0.00 -0.99 -4.83 105.19 105.09 2qqn n GLY 10 Ca 0.04 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 2qqn n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qqn s LEU 11 N 0.00 3.77 0.05 0.99 2.96 -1.26 -1.53 118.68 123.66 2qqn s LEU 11 Ca 0.00 0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 53.93 2qqn s LEU 11 Cb 0.00 -1.93 -0.00 0.00 0.50 0.00 0.00 46.19 44.76 2qqn s LEU 11 CO 0.00 0.22 0.15 0.68 -1.32 0.00 0.00 176.35 176.09 2qqn s VAL 12 N 0.06 0.13 0.45 1.68 -7.23 -0.43 -4.98 120.40 110.08 2qqn s VAL 12 Ca 0.05 -1.07 -0.12 0.00 -1.81 0.00 0.00 61.98 59.03 2qqn s VAL 12 Cb -0.12 -1.04 -0.07 0.00 0.56 0.00 0.00 36.38 35.71 2qqn s VAL 12 CO 0.01 -0.59 0.85 -1.10 -0.31 0.00 0.00 175.10 173.96 2qqn s GLN 13 N -2.95 3.81 0.36 4.82 -0.21 -1.26 -1.84 119.66 122.40 2qqn s GLN 13 Ca -0.02 0.63 -0.27 0.00 0.02 0.00 0.00 55.36 55.71 2qqn s GLN 13 Cb 0.01 -2.29 -0.12 0.00 1.00 0.00 0.00 33.01 31.61 2qqn s GLN 13 CO -0.06 -0.15 1.23 -2.30 -2.12 0.00 0.00 175.29 171.90 2qqn n PRO 14 N -1.50 1.94 0.00 2.91 -0.02 -1.26 -0.30 135.00 136.77 2qqn n PRO 14 Ca 0.04 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2qqn n PRO 14 Cb 0.54 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 2qqn n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qqn n GLY 15 N 0.86 2.66 2.41 -1.23 0.00 0.76 -4.90 105.19 105.74 2qqn n GLY 15 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 2qqn n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qqn n GLY 16 N -2.00 -2.34 3.09 -0.02 0.00 0.59 -4.04 105.19 100.47 2qqn n GLY 16 Ca 0.00 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 2qqn n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qqn s SER 17 N -3.68 0.69 0.18 1.61 0.01 -1.26 -1.82 113.70 109.43 2qqn s SER 17 Ca 0.48 -0.88 -0.23 0.00 1.31 0.00 0.00 55.95 56.64 2qqn s SER 17 Cb -0.04 0.13 0.06 0.00 0.21 0.00 0.00 66.02 66.39 2qqn s SER 17 CO 0.36 -0.47 0.66 -0.22 0.41 0.00 0.00 173.24 173.98 2qqn s LEU 18 N -2.59 -0.47 -0.16 2.44 0.20 -0.01 -5.01 118.68 113.08 2qqn s LEU 18 Ca 0.03 -0.16 -0.01 0.00 0.69 0.00 0.00 54.13 54.69 2qqn s LEU 18 Cb 0.02 2.58 0.04 0.00 -0.43 0.00 0.00 46.19 48.41 2qqn s LEU 18 CO -0.06 -1.04 -0.03 -0.60 -0.29 0.00 0.00 176.35 174.34 2qqn s ARG 19 N -3.74 1.19 0.29 1.98 3.52 -1.26 -0.78 118.95 120.15 2qqn s ARG 19 Ca 0.04 -0.42 -0.09 0.00 -0.13 0.00 0.00 55.73 55.13 2qqn s ARG 19 Cb -0.02 -1.89 -0.06 0.00 -1.56 0.00 0.00 34.95 31.41 2qqn s ARG 19 CO -0.08 -0.45 0.61 -0.51 -0.81 0.00 0.00 175.30 174.06 2qqn s LEU 20 N 1.71 4.06 0.06 -0.88 1.43 -0.10 -4.56 118.68 120.41 2qqn s LEU 20 Ca 0.01 0.92 0.03 0.00 -1.03 0.00 0.00 54.13 54.06 2qqn s LEU 20 Cb -0.15 -3.72 -0.03 0.00 0.03 0.00 0.00 46.19 42.32 2qqn s LEU 20 CO -0.07 -0.19 -0.10 -0.94 0.23 0.00 0.00 176.35 175.28 2qqn s SER 21 N -2.78 1.22 -0.21 2.29 1.04 -0.30 -1.34 113.70 113.63 2qqn s SER 21 Ca 0.47 -0.64 -0.04 0.00 0.48 0.00 0.00 55.95 56.22 2qqn s SER 21 Cb -0.11 0.01 0.07 0.00 0.10 0.00 0.00 66.02 66.09 2qqn s SER 21 CO 0.26 -0.19 0.09 0.00 0.98 0.00 0.00 173.24 174.38 2qqn s ALA 23 N 2.08 3.56 0.05 0.00 0.00 0.19 -0.13 121.76 127.51 2qqn s ALA 23 Ca 0.04 -0.54 -0.30 0.00 0.00 0.00 0.00 51.96 51.15 2qqn s ALA 23 Cb -0.16 -2.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.18 2qqn s ALA 23 CO -0.16 -0.45 1.13 0.00 0.00 0.00 0.00 175.76 176.28 2qqn s ALA 24 N 1.64 3.32 -0.04 0.00 0.00 0.06 -0.58 121.76 126.15 2qqn s ALA 24 Ca 0.20 0.75 0.03 0.00 0.00 0.00 0.00 51.96 52.95 2qqn s ALA 24 Cb -0.15 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2qqn s ALA 24 CO 0.09 -0.36 -0.14 0.45 0.00 0.00 0.00 175.76 175.80 2qqn s SER 25 N 0.98 1.79 0.00 0.00 0.15 0.64 -4.77 113.70 112.49 2qqn s SER 25 Ca 0.56 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.92 2qqn s SER 25 Cb -0.27 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.52 2qqn s SER 25 CO 0.29 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.45 2qqn n GLY 26 N 3.26 0.68 3.72 9.45 0.00 -1.26 -1.10 105.19 119.94 2qqn n GLY 26 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 2qqn n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qqn s PHE 27 N -2.74 -0.29 -0.27 1.61 -0.71 -1.26 -4.39 117.98 109.92 2qqn s PHE 27 Ca 0.00 -0.08 -0.08 0.00 -1.04 0.00 0.00 56.93 55.73 2qqn s PHE 27 Cb 0.00 0.66 -0.02 0.00 -1.21 0.00 0.00 43.02 42.45 2qqn s PHE 27 CO 0.00 -1.09 0.10 0.99 -1.34 0.00 0.00 175.22 173.88 2qqn s THR 28 N -3.83 4.42 -2.19 -4.49 2.01 -1.26 -4.92 115.64 105.37 2qqn s THR 28 Ca 0.08 -0.27 0.26 0.00 0.31 0.00 0.00 61.69 62.07 2qqn s THR 28 Cb -0.04 -3.14 0.64 0.00 0.01 0.00 0.00 72.50 69.97 2qqn s THR 28 CO 0.01 0.23 1.85 2.22 -0.69 0.00 0.00 174.62 178.24 2qqn n PHE 29 N 4.94 0.04 0.31 4.92 -1.74 -1.26 -3.77 117.46 120.90 2qqn n PHE 29 Ca -0.15 -0.02 0.19 0.00 -0.56 0.00 0.00 57.45 56.91 2qqn n PHE 29 Cb 0.50 0.00 1.00 0.00 1.52 0.00 0.00 39.48 42.50 2qqn n PHE 29 CO 0.00 0.00 0.00 0.66 -0.56 0.00 0.00 176.76 176.86 2qqn h SER 30 N 1.08 0.00 0.88 5.98 4.64 -1.93 -0.31 113.55 123.88 2qqn h SER 30 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qqn h SER 30 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2qqn h SER 30 CO 0.00 0.02 -0.14 -1.20 -0.87 0.00 0.00 176.83 174.64 2qqn n SER 31 N -3.25 0.15 -4.55 4.97 7.64 -1.25 -2.69 113.62 114.65 2qqn n SER 31 Ca -0.02 0.30 -0.28 0.00 1.01 0.00 0.00 58.87 59.88 2qqn n SER 31 Cb 0.15 -0.30 -0.10 0.00 -1.01 0.00 0.00 64.21 62.95 2qqn n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2qqn s TYR 32 N -3.00 2.62 0.43 1.43 1.51 -0.13 -4.85 117.35 115.36 2qqn s TYR 32 Ca 0.13 -0.22 -0.21 0.00 -1.01 0.00 0.00 57.07 55.75 2qqn s TYR 32 Cb 0.18 -1.32 -0.10 0.00 -0.11 0.00 0.00 41.96 40.61 2qqn s TYR 32 CO 0.58 0.47 0.97 0.00 -1.11 0.00 0.00 175.55 176.46 2qqn s ALA 33 N -1.51 3.02 -0.03 3.71 0.00 -0.12 -3.95 121.76 122.88 2qqn s ALA 33 Ca 0.23 0.46 0.06 0.00 0.00 0.00 0.00 51.96 52.71 2qqn s ALA 33 Cb -0.09 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 2qqn s ALA 33 CO 0.14 0.03 -0.21 -1.64 0.00 0.00 0.00 175.76 174.08 2qqn s MET 34 N -3.06 1.89 0.18 0.00 1.00 -0.77 -1.40 119.30 117.14 2qqn s MET 34 Ca 0.62 -0.76 0.09 0.00 0.00 0.00 0.00 55.69 55.64 2qqn s MET 34 Cb -0.12 -1.74 -0.04 0.00 0.00 0.00 0.00 34.83 32.93 2qqn s MET 34 CO 0.16 0.40 -0.18 -1.12 0.00 0.00 0.00 175.02 174.28 2qqn s SER 35 N -0.33 2.75 -0.06 3.03 0.01 0.01 -0.39 113.70 118.72 2qqn s SER 35 Ca 0.04 -0.90 0.05 0.00 1.31 0.00 0.00 55.95 56.45 2qqn s SER 35 Cb -0.10 -0.17 -0.01 0.00 0.21 0.00 0.00 66.02 65.95 2qqn s SER 35 CO 0.01 -0.04 -0.22 0.26 0.41 0.00 0.00 173.24 173.65 2qqn s TRP 36 N -2.21 2.52 -0.02 2.43 0.52 -0.05 -1.17 118.94 120.96 2qqn s TRP 36 Ca 0.18 -0.59 0.03 0.00 0.02 0.00 0.00 56.10 55.74 2qqn s TRP 36 Cb -0.05 -1.62 -0.00 0.00 -1.15 0.00 0.00 33.47 30.64 2qqn s TRP 36 CO 0.07 -0.13 -0.10 0.08 0.02 0.00 0.00 176.95 176.90 2qqn s VAL 37 N -0.25 0.81 0.30 4.03 1.01 0.35 -1.23 120.40 125.42 2qqn s VAL 37 Ca -0.00 -0.41 0.11 0.00 0.00 0.00 0.00 61.98 61.67 2qqn s VAL 37 Cb -0.13 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 2qqn s VAL 37 CO 0.03 0.24 -0.11 0.00 0.00 0.00 0.00 175.10 175.26 2qqn s ARG 38 N -0.06 1.90 -0.23 2.72 1.70 0.55 -0.53 118.95 125.00 2qqn s ARG 38 Ca 0.01 -1.72 -0.04 0.00 -0.47 0.00 0.00 55.73 53.51 2qqn s ARG 38 Cb -0.06 -1.87 0.08 0.00 -0.57 0.00 0.00 34.95 32.53 2qqn s ARG 38 CO -0.00 0.28 0.10 -1.14 -1.08 0.00 0.00 175.30 173.46 2qqn s GLN 39 N -3.59 0.20 0.66 3.89 0.74 -0.15 -0.69 119.66 120.73 2qqn s GLN 39 Ca 0.31 -0.34 -0.15 0.00 0.05 0.00 0.00 55.36 55.24 2qqn s GLN 39 Cb -0.03 -1.61 0.00 0.00 1.10 0.00 0.00 33.01 32.47 2qqn s GLN 39 CO 0.17 -0.82 1.12 0.00 -0.55 0.00 0.00 175.29 175.21 2qqn s ALA 40 N 2.07 2.45 -0.07 1.58 0.00 -1.26 -1.29 121.76 125.24 2qqn s ALA 40 Ca 0.05 0.60 -0.35 0.00 0.00 0.00 0.00 51.96 52.25 2qqn s ALA 40 Cb -0.16 -3.34 -0.13 0.00 0.00 0.00 0.00 23.12 19.49 2qqn s ALA 40 CO -0.20 -1.31 1.78 -2.30 0.00 0.00 0.00 175.76 173.73 2qqn n PRO 41 N -2.38 1.95 -1.19 0.00 -0.02 -1.26 -1.01 135.00 131.10 2qqn n PRO 41 Ca 0.11 0.71 -0.06 0.00 -2.02 0.00 0.00 63.50 62.24 2qqn n PRO 41 Cb 0.52 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 2qqn n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qqn n GLY 42 N 4.11 0.78 3.51 -1.23 0.00 -1.26 -5.00 105.19 106.09 2qqn n GLY 42 Ca 0.22 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2qqn n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qqn n LYS 43 N -1.55 0.79 -0.02 1.61 4.76 -0.18 -5.16 118.16 118.42 2qqn n LYS 43 Ca -0.06 -3.43 0.00 0.00 -2.87 0.00 0.00 58.31 51.94 2qqn n LYS 43 Cb 0.37 0.74 0.00 0.00 -1.84 0.00 0.00 35.03 34.30 2qqn n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qqn n GLY 44 N -0.93 0.80 3.81 0.72 0.00 -1.26 -4.67 105.19 103.65 2qqn n GLY 44 Ca -0.14 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 2qqn n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qqn s LEU 45 N 0.00 4.47 -0.06 0.99 1.43 -1.26 -4.11 118.68 120.13 2qqn s LEU 45 Ca 0.00 1.05 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 2qqn s LEU 45 Cb 0.00 -2.72 0.02 0.00 0.03 0.00 0.00 46.19 43.53 2qqn s LEU 45 CO 0.00 0.26 -0.03 -0.70 0.23 0.00 0.00 176.35 176.11 2qqn s GLU 46 N -0.84 0.86 0.25 1.70 2.12 0.14 -4.99 118.70 117.93 2qqn s GLU 46 Ca 0.26 -0.06 -0.30 0.00 0.36 0.00 0.00 54.97 55.24 2qqn s GLU 46 Cb -0.17 -0.99 -0.09 0.00 0.26 0.00 0.00 34.13 33.13 2qqn s GLU 46 CO 0.15 -0.18 1.20 -0.46 -0.54 0.00 0.00 175.26 175.43 2qqn s TRP 47 N 1.38 3.38 -0.18 5.30 -0.00 -1.26 -0.33 118.94 127.23 2qqn s TRP 47 Ca -0.03 1.48 -0.07 0.00 -0.00 0.00 0.00 56.10 57.48 2qqn s TRP 47 Cb -0.13 -3.46 -0.09 0.00 -0.00 0.00 0.00 33.47 29.79 2qqn s TRP 47 CO -0.03 -1.21 -0.22 0.28 -0.00 0.00 0.00 176.95 175.77 2qqn n VAL 48 N 1.77 1.02 -3.56 5.86 0.31 -0.36 -4.63 118.33 118.73 2qqn n VAL 48 Ca 0.02 -0.28 -0.08 0.00 -0.01 0.00 0.00 64.34 63.98 2qqn n VAL 48 Cb 0.44 -1.62 -0.03 0.00 -0.91 0.00 0.00 33.84 31.71 2qqn n VAL 48 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2qqn s SER 49 N -6.47 -0.30 -0.04 4.52 0.15 -1.14 -0.33 113.70 110.08 2qqn s SER 49 Ca -0.25 0.17 -0.06 0.00 0.70 0.00 0.00 55.95 56.51 2qqn s SER 49 Cb 0.09 0.28 0.01 0.00 -1.71 0.00 0.00 66.02 64.69 2qqn s SER 49 CO 0.34 -0.39 0.14 -1.58 1.20 0.00 0.00 173.24 172.96 2qqn s GLN 50 N -1.99 0.27 -0.04 5.44 0.74 -0.65 -0.87 119.66 122.55 2qqn s GLN 50 Ca 0.03 0.02 0.05 0.00 0.05 0.00 0.00 55.36 55.52 2qqn s GLN 50 Cb -0.01 0.12 -0.01 0.00 1.10 0.00 0.00 33.01 34.21 2qqn s GLN 50 CO -0.04 -0.05 -0.21 -1.50 -0.55 0.00 0.00 175.29 172.95 2qqn s ILE 51 N -0.37 1.70 0.82 -2.34 2.07 0.48 -1.70 121.20 121.87 2qqn s ILE 51 Ca -0.04 -0.88 -0.11 0.00 -1.41 0.00 0.00 60.65 58.20 2qqn s ILE 51 Cb -0.03 -1.44 0.08 0.00 0.13 0.00 0.00 42.46 41.20 2qqn s ILE 51 CO 0.01 0.48 1.09 -0.44 -1.91 0.00 0.00 174.94 174.17 2qqn s SER 52 N -0.15 4.14 0.28 4.50 0.01 -0.50 -1.84 113.70 120.15 2qqn s SER 52 Ca -0.01 1.66 -0.29 0.00 1.31 0.00 0.00 55.95 58.62 2qqn s SER 52 Cb -0.12 -2.36 -0.14 0.00 0.21 0.00 0.00 66.02 63.62 2qqn s SER 52 CO 0.02 -2.24 1.13 -2.65 0.41 0.00 0.00 173.24 169.91 2qqn n PRO 52 N -3.64 1.57 -3.21 12.44 -0.02 -1.25 -1.88 135.00 139.01 2qqn n PRO 52 Ca 0.08 0.55 -0.16 0.00 -2.02 0.00 0.00 63.50 61.96 2qqn n PRO 52 Cb 0.54 -2.01 0.06 0.00 -0.02 0.00 0.00 33.50 32.07 2qqn n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qqn n ALA 53 N 0.54 -1.06 -3.48 3.55 0.00 -1.09 -3.47 120.51 115.50 2qqn n ALA 53 Ca 0.09 0.20 -0.19 0.00 0.00 0.00 0.00 53.44 53.55 2qqn n ALA 53 Cb 0.32 -3.48 0.09 0.00 0.00 0.00 0.00 19.45 16.38 2qqn n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qqn n GLY 54 N -1.45 -0.39 0.00 0.00 0.00 -1.17 -5.00 105.19 97.18 2qqn n GLY 54 Ca -0.05 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2qqn n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qqn n GLY 55 N -1.31 1.32 3.70 -0.02 0.00 -0.79 -4.95 105.19 103.15 2qqn n GLY 55 Ca -0.23 -1.17 -0.44 0.00 0.00 0.00 0.00 46.02 44.18 2qqn n GLY 55 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2qqn n TYR 56 N 0.00 2.49 -4.52 1.61 9.36 -1.26 -4.45 117.16 120.39 2qqn n TYR 56 Ca 0.00 0.31 -0.34 0.00 3.32 0.00 0.00 57.90 61.19 2qqn n TYR 56 Cb 0.00 -2.54 -0.11 0.00 -0.63 0.00 0.00 39.34 36.05 2qqn n TYR 56 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2qqn s THR 57 N 0.21 3.84 0.01 2.97 -4.23 -1.26 -1.41 115.64 115.77 2qqn s THR 57 Ca 0.69 -0.41 0.04 0.00 -1.18 0.00 0.00 61.69 60.83 2qqn s THR 57 Cb -0.58 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 70.63 2qqn s THR 57 CO 0.46 0.56 -0.14 0.21 -0.54 0.00 0.00 174.62 175.18 2qqn s ASN 58 N -0.40 1.60 0.02 3.99 3.84 -0.69 -5.02 114.94 118.28 2qqn s ASN 58 Ca 0.06 -0.34 0.01 0.00 0.21 0.00 0.00 52.86 52.80 2qqn s ASN 58 Cb -0.12 -0.14 -0.02 0.00 -0.55 0.00 0.00 41.25 40.42 2qqn s ASN 58 CO 0.02 0.10 -0.04 -0.31 -2.79 0.00 0.00 177.10 174.08 2qqn s TYR 59 N -0.57 0.34 0.40 0.43 1.51 -1.26 -1.63 117.35 116.57 2qqn s TYR 59 Ca 0.03 -0.42 -0.27 0.00 -1.01 0.00 0.00 57.07 55.41 2qqn s TYR 59 Cb -0.06 -0.22 -0.09 0.00 -0.11 0.00 0.00 41.96 41.47 2qqn s TYR 59 CO 0.00 -0.13 1.37 0.00 -1.11 0.00 0.00 175.55 175.69 2qqn s ALA 60 N -1.15 3.34 0.40 3.71 0.00 0.55 -4.87 121.76 123.74 2qqn s ALA 60 Ca -0.11 1.36 0.21 0.00 0.00 0.00 0.00 51.96 53.42 2qqn s ALA 60 Cb -0.08 -3.54 1.18 0.00 0.00 0.00 0.00 23.12 20.68 2qqn s ALA 60 CO -0.00 -0.95 1.72 -0.44 0.00 0.00 0.00 175.76 176.09 2qqn h ASP 61 N 2.73 0.41 1.24 0.00 3.32 -1.95 -1.83 116.42 120.34 2qqn h ASP 61 Ca -0.50 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2qqn h ASP 61 Cb 1.25 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2qqn h ASP 61 CO 0.63 -0.00 0.00 0.77 -1.72 0.00 0.00 179.24 178.91 2qqn h SER 62 N 0.31 0.00 -0.00 6.45 4.64 -1.96 -3.15 113.55 119.84 2qqn h SER 62 Ca 0.67 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.99 2qqn h SER 62 Cb 1.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 2qqn h SER 62 CO -0.36 0.00 -0.27 1.33 -0.87 0.00 0.00 176.83 176.66 2qqn n VAL 63 N -3.08 0.00 -1.75 0.95 0.24 -0.76 -4.98 118.33 108.95 2qqn n VAL 63 Ca 0.01 -0.37 -0.42 0.00 -2.04 0.00 0.00 64.34 61.53 2qqn n VAL 63 Cb 0.36 1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 33.74 2qqn n VAL 63 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2qqn s LYS 64 N -1.48 4.11 0.00 7.34 2.20 -0.80 -1.00 119.74 130.13 2qqn s LYS 64 Ca 0.04 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.25 2qqn s LYS 64 Cb 0.05 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 2qqn s LYS 64 CO 0.25 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 2qqn n GLY 65 N 2.64 3.26 0.08 5.54 0.00 -1.26 -4.78 105.19 110.67 2qqn n GLY 65 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 2qqn n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qqn n ARG 66 N -2.00 0.55 -3.98 1.61 1.74 -0.17 -5.01 116.66 109.41 2qqn n ARG 66 Ca 0.00 0.08 -0.29 0.00 -0.77 0.00 0.00 57.85 56.87 2qqn n ARG 66 Cb 0.00 -1.32 -0.04 0.00 -1.02 0.00 0.00 32.46 30.08 2qqn n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2qqn s PHE 67 N -2.31 3.39 -0.04 -1.55 0.40 -0.60 -1.39 117.98 115.87 2qqn s PHE 67 Ca -0.20 0.14 -0.01 0.00 -0.60 0.00 0.00 56.93 56.27 2qqn s PHE 67 Cb 0.05 -1.67 0.03 0.00 0.51 0.00 0.00 43.02 41.94 2qqn s PHE 67 CO 0.38 0.55 0.02 0.99 0.70 0.00 0.00 175.22 177.85 2qqn s THR 68 N -1.57 0.15 -0.05 0.64 2.01 0.40 -4.85 115.64 112.36 2qqn s THR 68 Ca 0.33 0.19 -0.07 0.00 0.31 0.00 0.00 61.69 62.44 2qqn s THR 68 Cb -0.12 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 2qqn s THR 68 CO 0.26 0.18 0.22 -0.51 -0.69 0.00 0.00 174.62 174.08 2qqn s ILE 69 N 1.55 5.37 0.22 1.82 2.07 -1.26 -1.11 121.20 129.86 2qqn s ILE 69 Ca -0.02 0.24 -0.14 0.00 -1.41 0.00 0.00 60.65 59.31 2qqn s ILE 69 Cb -0.13 -3.51 0.01 0.00 0.13 0.00 0.00 42.46 38.96 2qqn s ILE 69 CO -0.03 0.50 0.48 -0.94 -1.91 0.00 0.00 174.94 173.04 2qqn s SER 70 N -1.34 -0.14 -0.04 4.50 1.04 -0.84 -4.99 113.70 111.90 2qqn s SER 70 Ca 0.21 -0.75 -0.09 0.00 0.48 0.00 0.00 55.95 55.81 2qqn s SER 70 Cb -0.13 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.57 2qqn s SER 70 CO 0.11 -1.08 0.21 0.00 0.98 0.00 0.00 173.24 173.45 2qqn s ALA 71 N -3.95 -0.51 -0.38 5.32 0.00 -1.26 -0.73 121.76 120.25 2qqn s ALA 71 Ca 0.16 0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.43 2qqn s ALA 71 Cb -0.00 -0.09 0.11 0.00 0.00 0.00 0.00 23.12 23.13 2qqn s ALA 71 CO 0.03 -0.18 0.09 0.34 0.00 0.00 0.00 175.76 176.05 2qqn s ASP 72 N -0.76 4.67 0.57 0.00 -1.08 0.05 -4.68 116.67 115.44 2qqn s ASP 72 Ca -0.09 -2.33 0.35 0.00 -0.52 0.00 0.00 52.55 49.97 2qqn s ASP 72 Cb -0.05 -1.63 1.62 0.00 -1.46 0.00 0.00 42.92 41.41 2qqn s ASP 72 CO 0.02 -0.35 2.09 0.71 0.52 0.00 0.00 175.17 178.15 2qqn h THR 73 N 6.38 0.11 0.00 1.71 1.35 -1.95 0.15 112.91 120.67 2qqn h THR 73 Ca -0.05 -0.43 -0.07 0.00 -0.55 0.00 0.00 66.41 65.32 2qqn h THR 73 Cb 0.99 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.78 2qqn h THR 73 CO 0.55 0.03 -0.32 0.77 -0.25 0.00 0.00 175.52 176.30 2qqn h SER 74 N 0.00 0.00 -0.02 5.36 4.64 -1.95 -3.17 113.55 118.41 2qqn h SER 74 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qqn h SER 74 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2qqn h SER 74 CO 0.00 0.32 -0.37 0.29 -0.87 0.00 0.00 176.83 176.20 2qqn n LYS 75 N -3.24 1.47 -3.66 4.77 5.02 -0.53 -4.99 118.16 117.00 2qqn n LYS 75 Ca 0.02 -1.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.06 2qqn n LYS 75 Cb 0.61 -1.39 0.07 0.00 -0.02 0.00 0.00 35.03 34.30 2qqn n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2qqn n ASN 76 N 0.06 -5.63 -3.90 4.39 5.15 0.41 -4.87 115.26 110.87 2qqn n ASN 76 Ca 0.09 -0.60 -0.16 0.00 -0.60 0.00 0.00 54.58 53.31 2qqn n ASN 76 Cb 0.43 -4.78 -0.15 0.00 -0.53 0.00 0.00 39.78 34.75 2qqn n ASN 76 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2qqn s THR 77 N -3.33 0.28 0.20 -0.44 2.01 -1.09 -0.76 115.64 112.52 2qqn s THR 77 Ca 0.55 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.51 2qqn s THR 77 Cb -0.25 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 2qqn s THR 77 CO 0.75 0.11 0.15 0.00 -0.69 0.00 0.00 174.62 174.94 2qqn s ALA 78 N 0.26 3.55 0.06 7.40 0.00 0.82 -0.77 121.76 133.09 2qqn s ALA 78 Ca -0.02 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 50.65 2qqn s ALA 78 Cb -0.06 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 2qqn s ALA 78 CO -0.01 0.40 -0.09 0.71 0.00 0.00 0.00 175.76 176.78 2qqn s TYR 79 N -1.91 0.83 -0.27 0.00 2.02 0.10 0.16 117.35 118.28 2qqn s TYR 79 Ca 0.31 -0.59 -0.01 0.00 -0.37 0.00 0.00 57.07 56.41 2qqn s TYR 79 Cb -0.09 -0.48 0.08 0.00 -0.40 0.00 0.00 41.96 41.07 2qqn s TYR 79 CO 0.24 -0.06 0.07 -1.17 -1.57 0.00 0.00 175.55 173.05 2qqn s LEU 80 N -1.98 1.93 -0.20 -1.29 2.96 -0.45 -1.98 118.68 117.67 2qqn s LEU 80 Ca -0.03 -1.35 -0.28 0.00 -0.22 0.00 0.00 54.13 52.25 2qqn s LEU 80 Cb -0.06 -0.81 0.00 0.00 0.50 0.00 0.00 46.19 45.82 2qqn s LEU 80 CO -0.00 -0.37 0.98 -1.58 -1.32 0.00 0.00 176.35 174.06 2qqn s GLN 81 N 1.68 4.28 -0.29 1.98 2.00 -0.26 -0.92 119.66 128.13 2qqn s GLN 81 Ca 0.05 1.27 0.03 0.00 -2.00 0.00 0.00 55.36 54.71 2qqn s GLN 81 Cb -0.17 -3.62 0.07 0.00 0.80 0.00 0.00 33.01 30.10 2qqn s GLN 81 CO -0.19 -0.52 -0.05 -1.64 -0.50 0.00 0.00 175.29 172.39 2qqn s MET 82 N 2.81 1.95 0.36 1.67 -1.94 0.03 -0.45 119.30 123.73 2qqn s MET 82 Ca 0.43 -1.55 0.08 0.00 -1.71 0.00 0.00 55.69 52.94 2qqn s MET 82 Cb -0.16 -3.01 -0.03 0.00 2.01 0.00 0.00 34.83 33.64 2qqn s MET 82 CO 0.09 -0.71 0.28 -0.80 -0.01 0.00 0.00 175.02 173.88 2qqn s ASN 82 N 1.03 5.08 -1.24 3.03 0.01 -0.49 -0.83 114.94 121.53 2qqn s ASN 82 Ca -0.01 -0.64 -0.18 0.00 -0.71 0.00 0.00 52.86 51.32 2qqn s ASN 82 Cb -0.20 -0.80 0.00 0.00 0.41 0.00 0.00 41.25 40.67 2qqn s ASN 82 CO -0.06 -0.43 0.65 -1.20 -1.51 0.00 0.00 177.10 174.54 2qqn n SER 82 N -1.38 -3.56 -4.81 -1.22 7.64 -0.93 -4.65 113.62 104.72 2qqn n SER 82 Ca -0.01 -1.08 -0.34 0.00 1.01 0.00 0.00 58.87 58.46 2qqn n SER 82 Cb 0.61 -2.90 -0.05 0.00 -1.01 0.00 0.00 64.21 60.86 2qqn n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qqn s LEU 82 N -6.83 3.91 0.21 -3.43 1.43 -0.75 -4.67 118.68 108.55 2qqn s LEU 82 Ca 0.34 1.83 0.09 0.00 -1.03 0.00 0.00 54.13 55.36 2qqn s LEU 82 Cb -0.14 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.51 2qqn s LEU 82 CO 0.90 -0.57 -0.17 -0.13 0.23 0.00 0.00 176.35 176.60 2qqn s ARG 83 N -3.16 1.40 0.31 1.70 0.52 -1.26 -0.17 118.95 118.29 2qqn s ARG 83 Ca 0.64 -1.58 0.05 0.00 -0.52 0.00 0.00 55.73 54.32 2qqn s ARG 83 Cb -0.13 -1.34 0.69 0.00 0.52 0.00 0.00 34.95 34.69 2qqn s ARG 83 CO 0.17 0.24 1.82 0.00 0.02 0.00 0.00 175.30 177.56 2qqn h ALA 84 N 2.69 1.66 0.00 2.13 0.00 -1.98 0.10 119.26 123.86 2qqn h ALA 84 Ca -0.40 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2qqn h ALA 84 Cb 1.23 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2qqn h ALA 84 CO 0.58 0.05 0.00 -0.85 0.00 0.00 0.00 179.25 179.03 2qqn n GLU 85 N -4.65 0.39 0.00 0.00 0.00 -1.26 -1.79 120.64 113.33 2qqn n GLU 85 Ca 0.20 0.07 0.14 0.00 0.00 0.00 0.00 57.16 57.57 2qqn n GLU 85 Cb 0.46 -1.50 0.61 0.00 0.00 0.00 0.00 31.44 31.01 2qqn n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2qqn n ASP 86 N -1.18 0.30 -4.68 -1.84 8.00 0.02 -4.88 116.55 112.30 2qqn n ASP 86 Ca 0.11 -0.28 -0.43 0.00 0.71 0.00 0.00 54.79 54.90 2qqn n ASP 86 Cb 0.12 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 2qqn n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2qqn n THR 87 N -1.17 0.55 -3.61 -3.53 -1.04 -0.74 -4.90 114.28 99.85 2qqn n THR 87 Ca 0.12 -0.10 -0.01 0.00 -2.04 0.00 0.00 64.05 62.03 2qqn n THR 87 Cb 0.29 -2.16 -0.01 0.00 -1.82 0.00 0.00 70.33 66.62 2qqn n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qqn s ALA 88 N 3.57 -2.21 -0.08 2.41 0.00 -0.49 -4.39 121.76 120.57 2qqn s ALA 88 Ca 0.86 1.16 -0.29 0.00 0.00 0.00 0.00 51.96 53.69 2qqn s ALA 88 Cb -0.49 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 2qqn s ALA 88 CO 0.41 -0.85 0.96 0.08 0.00 0.00 0.00 175.76 176.37 2qqn s VAL 89 N -2.34 4.83 -0.23 0.00 1.01 -0.41 -0.53 120.40 122.73 2qqn s VAL 89 Ca 0.12 1.97 -0.08 0.00 0.00 0.00 0.00 61.98 63.99 2qqn s VAL 89 Cb 0.03 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2qqn s VAL 89 CO -0.04 0.07 0.08 -0.31 0.00 0.00 0.00 175.10 174.90 2qqn s TYR 90 N 1.67 3.16 -0.05 5.22 1.51 0.32 -0.97 117.35 128.21 2qqn s TYR 90 Ca 0.48 -0.16 0.01 0.00 -1.01 0.00 0.00 57.07 56.38 2qqn s TYR 90 Cb -0.19 -2.20 -0.03 0.00 -0.11 0.00 0.00 41.96 39.43 2qqn s TYR 90 CO 0.20 -0.14 -0.04 0.71 -1.11 0.00 0.00 175.55 175.17 2qqn s TYR 91 N 1.17 3.00 0.10 2.71 1.51 0.31 -1.46 117.35 124.69 2qqn s TYR 91 Ca 0.05 0.06 0.01 0.00 -1.01 0.00 0.00 57.07 56.18 2qqn s TYR 91 Cb -0.14 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 2qqn s TYR 91 CO 0.04 0.39 0.23 0.00 -1.11 0.00 0.00 175.55 175.09 2qqn s ALA 93 N -1.60 -0.33 0.18 0.00 0.00 -0.32 -0.70 121.76 119.00 2qqn s ALA 93 Ca 0.34 0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.42 2qqn s ALA 93 Cb -0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 2qqn s ALA 93 CO 0.28 -0.15 0.23 -0.98 0.00 0.00 0.00 175.76 175.13 2qqn s ARG 94 N -0.79 3.18 0.00 0.00 1.70 -0.23 -0.81 118.95 122.00 2qqn s ARG 94 Ca -0.09 -0.78 0.00 0.00 -0.47 0.00 0.00 55.73 54.39 2qqn s ARG 94 Cb -0.05 -2.79 0.00 0.00 -0.57 0.00 0.00 34.95 31.54 2qqn s ARG 94 CO 0.01 0.48 0.00 0.41 -1.08 0.00 0.00 175.30 175.12 2qqn n GLY 95 N -0.68 -1.10 3.91 3.88 0.00 -0.49 -1.40 105.19 109.31 2qqn n GLY 95 Ca -0.08 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 2qqn n GLY 95 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qqn s GLU 96 N -0.05 3.56 0.33 1.61 2.02 -0.73 -0.95 118.70 124.49 2qqn s GLU 96 Ca 0.00 0.07 -0.29 0.00 0.02 0.00 0.00 54.97 54.77 2qqn s GLU 96 Cb 0.00 -2.48 -0.10 0.00 0.10 0.00 0.00 34.13 31.64 2qqn s GLU 96 CO 0.00 -0.04 1.36 -0.51 0.02 0.00 0.00 175.26 176.08 2qqn s LEU 97 N -4.38 4.40 0.00 1.80 1.43 -1.26 -4.46 118.68 116.20 2qqn s LEU 97 Ca 0.45 2.76 -0.05 0.00 -1.03 0.00 0.00 54.13 56.27 2qqn s LEU 97 Cb -0.10 -3.65 -0.22 0.00 0.03 0.00 0.00 46.19 42.25 2qqn s LEU 97 CO 0.39 -0.62 3.11 -0.81 0.23 0.00 0.00 176.35 178.65 2qqn n PRO 98 N 0.89 1.67 0.11 1.29 -0.04 -1.26 -4.41 135.00 133.25 2qqn n PRO 98 Ca 0.01 -0.81 0.11 0.00 -0.04 0.00 0.00 63.50 62.77 2qqn n PRO 98 Cb 0.41 -1.88 0.02 0.00 -0.04 0.00 0.00 33.50 32.01 2qqn n PRO 98 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2qqn h TYR 99 N 3.29 0.00 -3.87 0.54 0.05 -1.96 -3.47 116.97 111.55 2qqn h TYR 99 Ca 0.15 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 58.42 2qqn h TYR 99 Cb 1.28 0.00 -0.21 0.00 1.01 0.00 0.00 36.73 38.81 2qqn h TYR 99 CO 1.60 0.02 -0.81 0.71 -1.05 0.00 0.00 178.16 178.62 2qqn s TYR 100 N -3.34 1.65 0.26 4.88 1.51 -1.26 -5.01 117.35 116.04 2qqn s TYR 100 Ca 0.00 -0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 55.60 2qqn s TYR 100 Cb 0.09 -0.90 0.55 0.00 -0.11 0.00 0.00 41.96 41.59 2qqn s TYR 100 CO 0.78 0.18 1.68 -0.09 -1.11 0.00 0.00 175.55 176.99 2qqn h ARG 100 N 4.03 0.28 -0.79 -0.62 2.43 -1.99 -1.80 114.38 115.93 2qqn h ARG 100 Ca -0.44 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.69 2qqn h ARG 100 Cb 1.19 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 2qqn h ARG 100 CO 0.41 0.19 0.02 -1.33 -1.51 0.00 0.00 179.97 177.75 2qqn n MET 100 N -5.14 2.99 -2.32 0.20 2.81 -1.26 -4.88 117.12 109.52 2qqn n MET 100 Ca 0.17 -1.67 -0.42 0.00 -1.81 0.00 0.00 57.70 53.97 2qqn n MET 100 Cb 0.53 -1.89 -0.03 0.00 -0.71 0.00 0.00 33.22 31.12 2qqn n MET 100 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2qqn s SER 100 N -0.40 6.97 -1.20 7.83 0.01 -0.68 -4.96 113.70 121.28 2qqn s SER 100 Ca 0.29 2.11 -0.16 0.00 1.31 0.00 0.00 55.95 59.51 2qqn s SER 100 Cb 0.22 -2.58 0.13 0.00 0.21 0.00 0.00 66.02 64.01 2qqn s SER 100 CO 0.08 -0.56 1.49 -0.54 0.41 0.00 0.00 173.24 174.12 2qqn s LYS 100 N 1.25 3.99 0.47 12.44 1.02 -1.26 -4.97 119.74 132.69 2qqn s LYS 100 Ca 0.61 -2.28 -0.22 0.00 0.02 0.00 0.00 55.97 54.11 2qqn s LYS 100 Cb -0.32 -5.19 -0.08 0.00 -0.52 0.00 0.00 37.83 31.72 2qqn s LYS 100 CO 0.29 -1.92 1.09 0.08 -0.92 0.00 0.00 175.35 173.97 2qqn s VAL 100 N 2.56 3.45 -0.82 3.17 1.01 -1.26 -1.78 120.40 126.74 2qqn s VAL 100 Ca 0.45 1.00 -0.16 0.00 0.00 0.00 0.00 61.98 63.27 2qqn s VAL 100 Cb -0.01 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.94 2qqn s VAL 100 CO 0.01 -0.11 0.50 0.23 0.00 0.00 0.00 175.10 175.74 2qqn n MET 100 N -0.72 -0.74 0.04 2.72 2.81 -1.22 -4.86 117.12 115.15 2qqn n MET 100 Ca 0.08 0.21 0.11 0.00 -1.81 0.00 0.00 57.70 56.29 2qqn n MET 100 Cb 0.50 -1.70 -0.01 0.00 -0.71 0.00 0.00 33.22 31.30 2qqn n MET 100 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2qqn n ASP 101 N -1.67 0.58 -3.78 7.83 5.75 -0.49 -4.76 116.55 120.01 2qqn n ASP 101 Ca -0.16 -0.03 -0.21 0.00 -0.01 0.00 0.00 54.79 54.38 2qqn n ASP 101 Cb 0.48 0.89 -0.17 0.00 -1.03 0.00 0.00 41.12 41.29 2qqn n ASP 101 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2qqn s VAL 102 N -3.29 0.27 0.11 2.12 1.01 -1.21 -5.03 120.40 114.38 2qqn s VAL 102 Ca 0.01 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.19 2qqn s VAL 102 Cb 0.13 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 2qqn s VAL 102 CO 0.81 0.22 -0.03 0.26 0.00 0.00 0.00 175.10 176.37 2qqn s TRP 103 N 1.71 2.90 0.44 5.22 0.52 -1.26 -1.06 118.94 127.40 2qqn s TRP 103 Ca 0.00 -0.08 -0.07 0.00 0.02 0.00 0.00 56.10 55.97 2qqn s TRP 103 Cb -0.13 -1.48 0.10 0.00 -1.15 0.00 0.00 33.47 30.81 2qqn s TRP 103 CO -0.04 0.47 0.60 0.41 0.02 0.00 0.00 176.95 178.41 2qqn n GLY 104 N 0.47 -1.09 0.10 0.98 0.00 0.13 -4.63 105.19 101.14 2qqn n GLY 104 Ca -0.11 -1.72 -0.02 0.00 0.00 0.00 0.00 46.02 44.16 2qqn n GLY 104 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2qqn h GLN 105 N 0.00 0.00 0.00 1.61 4.15 -1.89 -3.45 115.11 115.53 2qqn h GLN 105 Ca -0.19 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.23 2qqn h GLN 105 Cb 0.55 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.24 2qqn h GLN 105 CO 0.14 0.75 0.00 0.41 -1.93 0.00 0.00 178.83 178.20 2qqn n GLY 106 N 1.21 2.25 2.82 2.39 0.00 -1.26 -5.02 105.19 107.59 2qqn n GLY 106 Ca 0.01 -1.66 -0.16 0.00 0.00 0.00 0.00 46.02 44.21 2qqn n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2qqn s THR 107 N -1.53 0.13 -0.19 2.61 -1.32 -0.54 -4.92 115.64 109.89 2qqn s THR 107 Ca 0.00 0.08 -0.20 0.00 -1.21 0.00 0.00 61.69 60.36 2qqn s THR 107 Cb 0.00 -0.22 -0.03 0.00 -1.51 0.00 0.00 72.50 70.74 2qqn s THR 107 CO 0.00 0.12 0.58 -0.22 -2.21 0.00 0.00 174.62 172.89 2qqn s LEU 108 N 0.87 4.16 -0.19 9.08 2.96 -1.26 -0.52 118.68 133.77 2qqn s LEU 108 Ca -0.08 0.79 -0.03 0.00 -0.22 0.00 0.00 54.13 54.58 2qqn s LEU 108 Cb -0.12 -2.81 -0.01 0.00 0.50 0.00 0.00 46.19 43.74 2qqn s LEU 108 CO -0.02 -0.21 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.06 2qqn s VAL 109 N 1.67 3.51 -0.17 1.68 1.01 0.31 -2.34 120.40 126.06 2qqn s VAL 109 Ca 0.27 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 2qqn s VAL 109 Cb -0.16 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.66 2qqn s VAL 109 CO 0.10 0.45 -0.14 -0.89 0.00 0.00 0.00 175.10 174.62 2qqn s THR 110 N 1.06 2.64 -0.29 3.92 2.01 -0.58 -1.39 115.64 123.01 2qqn s THR 110 Ca 0.01 -0.76 -0.05 0.00 0.31 0.00 0.00 61.69 61.20 2qqn s THR 110 Cb -0.15 -2.13 0.02 0.00 0.01 0.00 0.00 72.50 70.25 2qqn s THR 110 CO 0.00 0.50 0.05 -0.69 -0.69 0.00 0.00 174.62 173.79 2qqn s VAL 111 N 1.06 3.62 -0.01 3.82 1.01 -1.26 -1.32 120.40 127.32 2qqn s VAL 111 Ca -0.01 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 2qqn s VAL 111 Cb -0.15 -2.91 0.07 0.00 0.00 0.00 0.00 36.38 33.39 2qqn s VAL 111 CO -0.04 0.04 0.65 -0.55 0.00 0.00 0.00 175.10 175.20 2qqn s SER 112 N 1.42 -0.63 0.00 3.32 0.15 -0.77 -4.31 113.70 112.90 2qqn s SER 112 Ca 0.01 0.58 0.29 0.00 0.70 0.00 0.00 55.95 57.52 2qqn s SER 112 Cb -0.18 0.54 1.19 0.00 -1.71 0.00 0.00 66.02 65.86 2qqn s SER 112 CO 0.01 -0.66 1.86 -1.20 1.20 0.00 0.00 173.24 174.45 2qqn n SER 113 N 0.71 0.21 -4.77 5.45 7.64 -1.26 -4.10 113.62 117.49 2qqn n SER 113 Ca -0.19 -0.06 -0.38 0.00 1.01 0.00 0.00 58.87 59.25 2qqn n SER 113 Cb 0.58 -0.22 -0.04 0.00 -1.01 0.00 0.00 64.21 63.53 2qqn n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qqn s ALA 114 N -2.75 3.17 0.31 -0.43 0.00 -1.26 -5.06 121.76 115.73 2qqn s ALA 114 Ca 0.21 0.77 -0.04 0.00 0.00 0.00 0.00 51.96 52.90 2qqn s ALA 114 Cb 0.19 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 2qqn s ALA 114 CO 0.52 -0.23 0.57 -1.12 0.00 0.00 0.00 175.76 175.51 2qqn s SER 115 N -1.36 6.41 -0.01 0.00 0.01 -1.26 -5.01 113.70 112.48 2qqn s SER 115 Ca 0.55 0.70 -0.30 0.00 1.31 0.00 0.00 55.95 58.21 2qqn s SER 115 Cb -0.25 -2.14 -0.07 0.00 0.21 0.00 0.00 66.02 63.77 2qqn s SER 115 CO 0.32 -0.24 1.78 -0.89 0.41 0.00 0.00 173.24 174.62 2qqn s THR 116 N -2.17 3.33 -0.00 1.44 2.01 -1.26 -4.65 115.64 114.34 2qqn s THR 116 Ca 0.44 0.42 0.01 0.00 0.31 0.00 0.00 61.69 62.86 2qqn s THR 116 Cb -0.10 -3.27 -0.00 0.00 0.01 0.00 0.00 72.50 69.13 2qqn s THR 116 CO 0.32 -0.04 -0.03 -0.75 -0.69 0.00 0.00 174.62 173.43 2qqn s LYS 117 N 4.14 0.28 0.43 4.92 2.20 0.21 -4.93 119.74 126.98 2qqn s LYS 117 Ca 0.80 -0.11 -0.12 0.00 -0.36 0.00 0.00 55.97 56.17 2qqn s LYS 117 Cb -0.37 -0.27 -0.07 0.00 -1.51 0.00 0.00 37.83 35.60 2qqn s LYS 117 CO 0.35 0.06 0.82 0.20 -0.36 0.00 0.00 175.35 176.42 2qqn s GLY 118 N -0.03 1.98 0.57 5.54 0.00 -1.26 -0.10 107.32 114.02 2qqn s GLY 118 Ca 0.01 -0.10 -0.18 0.00 0.00 0.00 0.00 44.72 44.45 2qqn s GLY 118 CO -0.00 0.12 1.10 2.56 0.00 0.00 0.00 173.10 176.87 2qqn s PRO 119 N -3.89 3.29 -0.02 2.90 0.04 -1.26 -4.51 135.00 131.55 2qqn s PRO 119 Ca 0.53 1.44 -0.14 0.00 0.04 0.00 0.00 61.00 62.87 2qqn s PRO 119 Cb -0.10 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 2qqn s PRO 119 CO 0.31 -0.87 0.39 -1.12 0.04 0.00 0.00 177.00 175.75 2qqn s SER 120 N -2.19 6.76 -0.20 6.66 0.01 -0.40 -4.95 113.70 119.39 2qqn s SER 120 Ca 0.69 0.90 0.01 0.00 1.31 0.00 0.00 55.95 58.86 2qqn s SER 120 Cb -0.20 -2.24 0.03 0.00 0.21 0.00 0.00 66.02 63.82 2qqn s SER 120 CO 0.31 0.30 -0.17 -0.69 0.41 0.00 0.00 173.24 173.40 2qqn s VAL 121 N -0.90 2.01 0.07 3.43 1.01 -1.26 -0.99 120.40 123.77 2qqn s VAL 121 Ca 0.23 -1.07 0.08 0.00 0.00 0.00 0.00 61.98 61.21 2qqn s VAL 121 Cb -0.16 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 2qqn s VAL 121 CO 0.12 0.38 -0.17 -0.36 0.00 0.00 0.00 175.10 175.07 2qqn s PHE 122 N 1.27 2.57 0.24 5.22 0.08 -0.60 -4.96 117.98 121.79 2qqn s PHE 122 Ca 0.01 -0.25 -0.30 0.00 0.12 0.00 0.00 56.93 56.52 2qqn s PHE 122 Cb -0.15 -1.43 -0.09 0.00 -0.57 0.00 0.00 43.02 40.79 2qqn s PHE 122 CO -0.11 0.30 1.04 -1.25 -0.10 0.00 0.00 175.22 175.11 2qqn s PRO 123 N -1.68 4.70 -0.84 0.24 0.04 -1.26 -0.72 135.00 135.47 2qqn s PRO 123 Ca 0.16 1.67 -0.09 0.00 0.04 0.00 0.00 61.00 62.78 2qqn s PRO 123 Cb -0.11 -3.25 0.22 0.00 0.04 0.00 0.00 34.50 31.41 2qqn s PRO 123 CO 0.07 0.28 0.75 -0.51 0.04 0.00 0.00 177.00 177.63 2qqn s LEU 124 N -1.06 6.21 0.39 -3.56 1.43 0.90 -4.82 118.68 118.17 2qqn s LEU 124 Ca 0.45 -3.00 -0.26 0.00 -1.03 0.00 0.00 54.13 50.28 2qqn s LEU 124 Cb -0.29 -2.09 -0.09 0.00 0.03 0.00 0.00 46.19 43.74 2qqn s LEU 124 CO 0.36 -0.43 1.30 0.00 0.23 0.00 0.00 176.35 177.81 2qqn s ALA 125 N -0.31 3.30 0.17 4.21 0.00 -1.26 -1.18 121.76 126.69 2qqn s ALA 125 Ca 0.21 1.22 -0.30 0.00 0.00 0.00 0.00 51.96 53.09 2qqn s ALA 125 Cb -0.12 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.44 2qqn s ALA 125 CO -0.08 -0.77 1.29 -1.25 0.00 0.00 0.00 175.76 174.95 2qqn s PRO 126 N -2.16 4.40 0.27 0.00 0.04 -1.26 -4.87 135.00 131.42 2qqn s PRO 126 Ca 0.55 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.59 2qqn s PRO 126 Cb -0.38 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 30.94 2qqn s PRO 126 CO 0.49 -0.25 0.02 0.45 0.04 0.00 0.00 177.00 177.76 2qqn n SER 127 N 2.92 2.64 -4.73 6.66 2.88 -1.26 -4.14 113.62 118.58 2qqn n SER 127 Ca 0.07 -2.13 -0.41 0.00 -1.33 0.00 0.00 58.87 55.07 2qqn n SER 127 Cb 0.43 0.16 -0.05 0.00 -0.75 0.00 0.00 64.21 64.01 2qqn n SER 127 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2qqn s SER 128 N -2.47 7.35 -0.15 -3.46 0.01 -1.26 -4.96 113.70 108.77 2qqn s SER 128 Ca 0.02 1.61 0.02 0.00 1.31 0.00 0.00 55.95 58.91 2qqn s SER 128 Cb -0.00 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.71 2qqn s SER 128 CO 0.01 -0.05 -0.21 -0.83 0.41 0.00 0.00 173.24 172.58 2qqn s GLY 133 N 0.09 1.38 0.00 3.44 0.00 -1.26 -5.16 107.32 105.82 2qqn s GLY 133 Ca 0.43 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 44.06 2qqn s GLY 133 CO 0.26 0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.98 2qqn n GLY 134 N 4.11 3.06 3.11 0.20 0.00 -1.26 -5.00 105.19 109.41 2qqn n GLY 134 Ca -0.20 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 2qqn n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qqn s THR 135 N -0.28 1.19 0.07 2.61 2.01 -1.26 -2.31 115.64 117.66 2qqn s THR 135 Ca 0.00 -0.62 0.09 0.00 0.31 0.00 0.00 61.69 61.48 2qqn s THR 135 Cb 0.00 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 2qqn s THR 135 CO 0.00 0.34 -0.24 0.00 -0.69 0.00 0.00 174.62 174.03 2qqn s ALA 136 N -0.16 2.38 -0.11 7.40 0.00 -0.08 -4.74 121.76 126.45 2qqn s ALA 136 Ca 0.02 -1.31 -0.02 0.00 0.00 0.00 0.00 51.96 50.65 2qqn s ALA 136 Cb -0.08 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 2qqn s ALA 136 CO 0.00 0.55 -0.05 0.00 0.00 0.00 0.00 175.76 176.26 2qqn s ALA 137 N -0.91 3.02 0.20 0.00 0.00 -1.26 -0.96 121.76 121.84 2qqn s ALA 137 Ca 0.13 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 2qqn s ALA 137 Cb -0.10 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 2qqn s ALA 137 CO 0.04 0.40 0.22 -0.48 0.00 0.00 0.00 175.76 175.95 2qqn s LEU 138 N -0.26 0.98 0.00 0.00 -0.00 -0.56 -4.14 118.68 114.70 2qqn s LEU 138 Ca 0.04 -1.23 -0.03 0.00 -0.00 0.00 0.00 54.13 52.91 2qqn s LEU 138 Cb -0.13 0.77 0.01 0.00 -0.00 0.00 0.00 46.19 46.85 2qqn s LEU 138 CO 0.02 -0.91 0.15 0.61 -0.00 0.00 0.00 176.35 176.22 2qqn n GLY 139 N -0.28 0.63 2.99 -3.48 0.00 -0.33 -0.54 105.19 104.18 2qqn n GLY 139 Ca -0.00 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 2qqn n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqn s LEU 141 N 0.31 4.03 -0.53 0.00 2.96 0.10 -1.44 118.68 124.11 2qqn s LEU 141 Ca -0.05 -0.11 -0.10 0.00 -0.22 0.00 0.00 54.13 53.66 2qqn s LEU 141 Cb -0.10 -2.10 0.13 0.00 0.50 0.00 0.00 46.19 44.63 2qqn s LEU 141 CO 0.01 -0.08 0.41 -0.69 -1.32 0.00 0.00 176.35 174.68 2qqn s VAL 142 N 1.73 4.41 -0.10 1.68 1.01 0.27 -1.55 120.40 127.86 2qqn s VAL 142 Ca 0.07 -1.92 -0.02 0.00 0.00 0.00 0.00 61.98 60.10 2qqn s VAL 142 Cb -0.16 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 2qqn s VAL 142 CO 0.10 -0.82 0.01 -0.75 0.00 0.00 0.00 175.10 173.64 2qqn s LYS 143 N 1.15 3.10 -0.80 2.72 2.20 -0.16 -0.71 119.74 127.24 2qqn s LYS 143 Ca 0.08 -0.40 -0.01 0.00 -0.36 0.00 0.00 55.97 55.27 2qqn s LYS 143 Cb -0.25 -2.84 -0.02 0.00 -1.51 0.00 0.00 37.83 33.22 2qqn s LYS 143 CO -0.01 0.66 0.68 -0.25 -0.36 0.00 0.00 175.35 176.06 2qqn n ASP 144 N 2.29 -3.18 -4.62 1.43 8.00 -0.03 -1.28 116.55 119.15 2qqn n ASP 144 Ca -0.18 -0.46 -0.26 0.00 0.71 0.00 0.00 54.79 54.60 2qqn n ASP 144 Cb 0.54 -3.75 -0.08 0.00 -0.02 0.00 0.00 41.12 37.80 2qqn n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2qqn s TYR 145 N -3.26 2.74 -0.17 1.24 1.13 -0.98 -4.45 117.35 113.60 2qqn s TYR 145 Ca 0.11 -0.18 -0.17 0.00 -1.41 0.00 0.00 57.07 55.42 2qqn s TYR 145 Cb -0.01 -1.32 0.05 0.00 -1.10 0.00 0.00 41.96 39.57 2qqn s TYR 145 CO 0.51 0.53 0.47 0.12 -2.51 0.00 0.00 175.55 174.67 2qqn s PHE 146 N -1.79 -0.51 0.00 -3.49 2.19 0.86 -1.09 117.98 114.14 2qqn s PHE 146 Ca 0.27 1.22 0.00 0.00 0.33 0.00 0.00 56.93 58.75 2qqn s PHE 146 Cb -0.09 0.18 0.00 0.00 -1.31 0.00 0.00 43.02 41.80 2qqn s PHE 146 CO 0.17 -0.27 0.00 -0.35 1.83 0.00 0.00 175.22 176.61 2qqn n PRO 147 N 2.71 1.15 -1.41 10.12 -0.04 -1.26 -0.62 135.00 145.65 2qqn n PRO 147 Ca -0.14 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.02 2qqn n PRO 147 Cb 0.57 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.11 2qqn n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2qqn s GLU 148 N -0.47 2.34 0.38 0.54 0.41 -1.26 -4.75 118.70 115.89 2qqn s GLU 148 Ca 0.00 0.97 0.07 0.00 -0.41 0.00 0.00 54.97 55.60 2qqn s GLU 148 Cb 0.00 -1.92 -0.00 0.00 -1.78 0.00 0.00 34.13 30.43 2qqn s GLU 148 CO 0.00 -1.52 0.51 -1.25 -0.49 0.00 0.00 175.26 172.51 2qqn s PRO 149 N -5.00 2.94 0.08 0.39 0.04 -1.26 -4.85 135.00 127.34 2qqn s PRO 149 Ca 0.60 -1.16 0.09 0.00 0.04 0.00 0.00 61.00 60.58 2qqn s PRO 149 Cb -0.16 -2.76 -0.03 0.00 0.04 0.00 0.00 34.50 31.59 2qqn s PRO 149 CO 0.55 -0.11 -0.25 0.08 0.04 0.00 0.00 177.00 177.31 2qqn s VAL 150 N -2.28 2.07 0.04 -0.36 1.01 -1.26 -4.22 120.40 115.40 2qqn s VAL 150 Ca 0.50 -1.49 0.08 0.00 0.00 0.00 0.00 61.98 61.08 2qqn s VAL 150 Cb -0.09 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 2qqn s VAL 150 CO 0.32 0.23 -0.23 0.42 0.00 0.00 0.00 175.10 175.83 2qqn s THR 151 N -0.91 2.40 -0.05 3.92 -4.23 -0.37 -5.00 115.64 111.41 2qqn s THR 151 Ca 0.11 -1.29 0.01 0.00 -1.18 0.00 0.00 61.69 59.34 2qqn s THR 151 Cb -0.10 -1.96 0.02 0.00 1.34 0.00 0.00 72.50 71.80 2qqn s THR 151 CO 0.03 0.37 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.73 2qqn s VAL 152 N -0.84 0.66 0.30 2.29 1.01 -1.26 -1.05 120.40 121.52 2qqn s VAL 152 Ca 0.13 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.96 2qqn s VAL 152 Cb -0.10 -0.66 -0.06 0.00 0.00 0.00 0.00 36.38 35.56 2qqn s VAL 152 CO 0.03 0.25 -0.04 -0.94 0.00 0.00 0.00 175.10 174.40 2qqn s SER 153 N 0.79 2.83 -0.11 3.32 1.04 -0.43 -4.96 113.70 116.18 2qqn s SER 153 Ca -0.12 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.08 2qqn s SER 153 Cb -0.14 -0.18 -0.02 0.00 0.10 0.00 0.00 66.02 65.78 2qqn s SER 153 CO 0.01 -0.39 -0.13 0.26 0.98 0.00 0.00 173.24 173.98 2qqn s TRP 154 N -3.02 2.81 -1.55 5.02 0.52 -1.26 -0.12 118.94 121.34 2qqn s TRP 154 Ca 0.31 -0.52 -0.09 0.00 0.02 0.00 0.00 56.10 55.82 2qqn s TRP 154 Cb 0.05 -1.81 0.08 0.00 -1.15 0.00 0.00 33.47 30.64 2qqn s TRP 154 CO 0.13 -0.11 0.60 0.09 0.02 0.00 0.00 176.95 177.68 2qqn n ASN 155 N 3.27 -1.89 -1.27 2.95 3.02 0.96 -1.06 115.26 121.24 2qqn n ASN 155 Ca -0.18 -1.01 -0.16 0.00 -0.03 0.00 0.00 54.58 53.20 2qqn n ASN 155 Cb 0.53 -2.92 -0.07 0.00 -0.61 0.00 0.00 39.78 36.71 2qqn n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2qqn n SER 156 N -2.83 -4.95 0.00 6.41 7.64 -1.26 -2.30 113.62 116.33 2qqn n SER 156 Ca -0.12 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2qqn n SER 156 Cb 0.59 -3.88 0.00 0.00 -1.01 0.00 0.00 64.21 59.91 2qqn n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qqn n GLY 157 N -0.99 0.39 0.16 0.23 0.00 -0.23 -4.97 105.19 99.79 2qqn n GLY 157 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 2qqn n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqn h ALA 158 N 0.00 0.53 -2.24 4.61 0.00 -1.40 -3.39 119.26 117.36 2qqn h ALA 158 Ca 0.00 -0.66 -0.70 0.00 0.00 0.00 0.00 54.91 53.54 2qqn h ALA 158 Cb 0.00 -0.06 -0.20 0.00 0.00 0.00 0.00 17.79 17.54 2qqn h ALA 158 CO 0.00 0.82 -0.15 -1.17 0.00 0.00 0.00 179.25 178.75 2qqn s LEU 159 N -7.74 5.14 -0.00 0.00 2.96 -1.15 -4.83 118.68 113.05 2qqn s LEU 159 Ca -0.05 -0.97 0.00 0.00 -0.22 0.00 0.00 54.13 52.90 2qqn s LEU 159 Cb 0.10 -2.35 -0.01 0.00 0.50 0.00 0.00 46.19 44.44 2qqn s LEU 159 CO 0.84 -0.72 0.00 0.35 -1.32 0.00 0.00 176.35 175.50 2qqn n THR 160 N 5.43 0.03 -1.92 3.68 -2.24 -1.26 -4.19 114.28 113.81 2qqn n THR 160 Ca -0.09 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 2qqn n THR 160 Cb 0.45 -0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 67.69 2qqn n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2qqn s SER 161 N -3.04 6.60 0.00 3.42 0.15 -1.26 -2.33 113.70 117.25 2qqn s SER 161 Ca -0.00 2.45 0.00 0.00 0.70 0.00 0.00 55.95 59.10 2qqn s SER 161 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2qqn s SER 161 CO 0.02 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.16 2qqn n GLY 162 N 4.05 0.72 3.73 9.45 0.00 -1.26 -4.72 105.19 117.15 2qqn n GLY 162 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2qqn n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qqn s VAL 163 N -2.76 4.75 -0.08 1.61 1.01 -0.98 -2.96 120.40 120.99 2qqn s VAL 163 Ca 0.00 1.85 -0.01 0.00 0.00 0.00 0.00 61.98 63.83 2qqn s VAL 163 Cb 0.00 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 32.18 2qqn s VAL 163 CO 0.00 0.28 -0.02 -1.00 0.00 0.00 0.00 175.10 174.36 2qqn s HIS 164 N 0.38 0.85 -0.21 5.22 3.76 -0.01 -5.01 115.29 120.26 2qqn s HIS 164 Ca 0.45 -0.29 -0.03 0.00 -0.15 0.00 0.00 55.06 55.03 2qqn s HIS 164 Cb -0.21 -0.88 -0.01 0.00 1.11 0.00 0.00 32.58 32.60 2qqn s HIS 164 CO 0.26 -0.35 -0.06 0.99 -0.85 0.00 0.00 174.74 174.72 2qqn s THR 165 N 1.80 3.24 0.37 1.30 2.01 -1.26 -0.62 115.64 122.48 2qqn s THR 165 Ca 0.03 -0.54 -0.19 0.00 0.31 0.00 0.00 61.69 61.31 2qqn s THR 165 Cb -0.13 -2.46 -0.10 0.00 0.01 0.00 0.00 72.50 69.82 2qqn s THR 165 CO -0.05 0.44 0.85 -0.36 -0.69 0.00 0.00 174.62 174.80 2qqn s PHE 166 N 1.41 3.38 0.45 4.92 0.40 0.05 -5.00 117.98 123.59 2qqn s PHE 166 Ca 0.05 1.44 -0.25 0.00 -0.60 0.00 0.00 56.93 57.57 2qqn s PHE 166 Cb -0.14 -2.71 -0.08 0.00 0.51 0.00 0.00 43.02 40.60 2qqn s PHE 166 CO -0.04 0.02 1.42 -2.14 0.70 0.00 0.00 175.22 175.18 2qqn s PRO 167 N -2.97 3.69 0.62 0.24 0.02 -1.26 -4.60 135.00 130.75 2qqn s PRO 167 Ca 0.57 2.40 -0.18 0.00 0.02 0.00 0.00 61.00 63.81 2qqn s PRO 167 Cb -0.10 -2.65 -0.02 0.00 0.02 0.00 0.00 34.50 31.74 2qqn s PRO 167 CO 0.16 -0.80 1.20 0.00 -0.33 0.00 0.00 177.00 177.22 2qqn s ALA 168 N -1.21 2.46 0.01 -1.55 0.00 -1.26 -4.85 121.76 115.36 2qqn s ALA 168 Ca 0.61 0.94 0.04 0.00 0.00 0.00 0.00 51.96 53.55 2qqn s ALA 168 Cb -0.43 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.21 2qqn s ALA 168 CO 0.56 -1.30 -0.09 0.14 0.00 0.00 0.00 175.76 175.06 2qqn s VAL 169 N -1.74 3.47 -0.13 0.00 -7.23 -0.47 -4.95 120.40 109.34 2qqn s VAL 169 Ca 0.76 -0.87 -0.26 0.00 -1.81 0.00 0.00 61.98 59.80 2qqn s VAL 169 Cb -0.29 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 2qqn s VAL 169 CO 0.36 0.37 0.84 -0.22 -0.31 0.00 0.00 175.10 176.14 2qqn s LEU 170 N -1.45 4.22 0.63 1.32 2.96 -1.26 -1.85 118.68 123.25 2qqn s LEU 170 Ca 0.17 1.25 -0.00 0.00 -0.22 0.00 0.00 54.13 55.32 2qqn s LEU 170 Cb -0.11 -3.26 0.07 0.00 0.50 0.00 0.00 46.19 43.38 2qqn s LEU 170 CO 0.07 -0.34 0.88 -1.10 -1.32 0.00 0.00 176.35 174.54 2qqn s GLN 171 N 1.80 2.21 0.55 1.98 -0.21 -0.29 -4.97 119.66 120.74 2qqn s GLN 171 Ca 0.40 -0.82 0.34 0.00 0.02 0.00 0.00 55.36 55.30 2qqn s GLN 171 Cb -0.17 -2.39 1.41 0.00 1.00 0.00 0.00 33.01 32.85 2qqn s GLN 171 CO 0.15 -1.02 2.00 0.66 -2.12 0.00 0.00 175.29 174.96 2qqn h SER 172 N -0.21 0.00 0.85 5.90 4.64 -1.97 -0.84 113.55 121.91 2qqn h SER 172 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2qqn h SER 172 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2qqn h SER 172 CO 0.49 0.01 0.00 -1.54 -0.87 0.00 0.00 176.83 174.93 2qqn n SER 173 N -3.12 0.56 0.00 4.97 3.41 -1.26 -4.89 113.62 113.29 2qqn n SER 173 Ca 0.00 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 2qqn n SER 173 Cb 0.30 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 2qqn n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qqn n GLY 174 N 0.33 0.66 3.91 5.00 0.00 -0.32 -4.96 105.19 109.80 2qqn n GLY 174 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 2qqn n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qqn s LEU 175 N 0.00 4.22 0.44 0.99 1.02 -1.26 -4.86 118.68 119.22 2qqn s LEU 175 Ca 0.00 0.11 0.02 0.00 0.02 0.00 0.00 54.13 54.28 2qqn s LEU 175 Cb 0.00 -2.80 0.00 0.00 0.02 0.00 0.00 46.19 43.41 2qqn s LEU 175 CO 0.00 0.07 0.64 -0.31 0.02 0.00 0.00 176.35 176.77 2qqn s TYR 176 N -1.71 3.15 -0.21 0.29 2.02 -0.25 -1.14 117.35 119.49 2qqn s TYR 176 Ca 0.34 0.09 -0.23 0.00 -0.37 0.00 0.00 57.07 56.90 2qqn s TYR 176 Cb -0.11 -2.30 0.06 0.00 -0.40 0.00 0.00 41.96 39.21 2qqn s TYR 176 CO 0.27 -0.35 0.63 0.45 -1.57 0.00 0.00 175.55 174.99 2qqn s SER 177 N -4.24 -0.65 0.20 2.29 0.15 -0.77 -0.85 113.70 109.83 2qqn s SER 177 Ca 0.49 1.19 -0.04 0.00 0.70 0.00 0.00 55.95 58.29 2qqn s SER 177 Cb -0.10 1.20 -0.03 0.00 -1.71 0.00 0.00 66.02 65.38 2qqn s SER 177 CO 0.36 -0.27 0.21 -1.48 1.20 0.00 0.00 173.24 173.27 2qqn s LEU 178 N 0.13 1.00 0.03 3.45 0.05 0.11 -1.37 118.68 122.08 2qqn s LEU 178 Ca -0.02 -1.25 0.06 0.00 0.05 0.00 0.00 54.13 52.97 2qqn s LEU 178 Cb -0.04 0.73 -0.02 0.00 -2.05 0.00 0.00 46.19 44.81 2qqn s LEU 178 CO 0.02 -0.90 -0.17 -0.44 -0.55 0.00 0.00 176.35 174.31 2qqn s SER 179 N -3.11 1.99 -0.08 1.48 0.01 -1.26 0.98 113.70 113.70 2qqn s SER 179 Ca 0.33 -0.45 0.05 0.00 1.31 0.00 0.00 55.95 57.19 2qqn s SER 179 Cb 0.05 -0.16 -0.00 0.00 0.21 0.00 0.00 66.02 66.12 2qqn s SER 179 CO 0.10 0.11 -0.23 -0.55 0.41 0.00 0.00 173.24 173.08 2qqn s SER 180 N -1.01 2.98 0.16 2.44 0.15 -0.52 -0.77 113.70 117.12 2qqn s SER 180 Ca 0.05 -0.52 0.06 0.00 0.70 0.00 0.00 55.95 56.23 2qqn s SER 180 Cb -0.08 -1.18 -0.04 0.00 -1.71 0.00 0.00 66.02 63.01 2qqn s SER 180 CO 0.01 0.18 -0.13 0.68 1.20 0.00 0.00 173.24 175.18 2qqn s VAL 181 N 0.20 1.44 -0.03 4.45 -7.23 0.21 -0.32 120.40 119.13 2qqn s VAL 181 Ca -0.14 -1.97 -0.07 0.00 -1.81 0.00 0.00 61.98 58.00 2qqn s VAL 181 Cb -0.16 -1.79 0.01 0.00 0.56 0.00 0.00 36.38 34.99 2qqn s VAL 181 CO 0.07 -0.55 0.15 0.54 -0.31 0.00 0.00 175.10 175.00 2qqn s VAL 182 N -2.70 0.04 -0.14 1.32 0.11 0.30 -0.83 120.40 118.50 2qqn s VAL 182 Ca 0.15 -0.36 -0.05 0.00 -2.93 0.00 0.00 61.98 58.79 2qqn s VAL 182 Cb -0.02 -0.34 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 2qqn s VAL 182 CO 0.04 -0.20 0.04 0.42 -3.33 0.00 0.00 175.10 172.07 2qqn s THR 183 N -0.69 4.63 0.18 5.04 -4.23 -1.15 -1.50 115.64 117.92 2qqn s THR 183 Ca -0.08 -0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 2qqn s THR 183 Cb -0.05 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.72 2qqn s THR 183 CO 0.01 0.53 0.06 0.68 -0.54 0.00 0.00 174.62 175.36 2qqn s VAL 184 N -0.17 0.33 0.18 2.29 -7.23 -0.14 -4.73 120.40 110.95 2qqn s VAL 184 Ca 0.06 -1.97 -0.31 0.00 -1.81 0.00 0.00 61.98 57.96 2qqn s VAL 184 Cb -0.12 -2.27 -0.10 0.00 0.56 0.00 0.00 36.38 34.44 2qqn s VAL 184 CO 0.02 -0.28 1.57 -2.84 -0.31 0.00 0.00 175.10 173.25 2qqn s PRO 185 N -4.03 4.21 0.49 4.82 0.02 -1.26 -0.90 135.00 138.35 2qqn s PRO 185 Ca 0.30 2.38 0.27 0.00 0.02 0.00 0.00 61.00 63.97 2qqn s PRO 185 Cb 0.07 -3.14 1.23 0.00 0.02 0.00 0.00 34.50 32.68 2qqn s PRO 185 CO 0.07 -0.60 1.96 0.66 -0.33 0.00 0.00 177.00 178.76 2qqn h SER 186 N 6.51 0.00 0.47 2.53 4.64 -1.75 -2.92 113.55 123.02 2qqn h SER 186 Ca -0.43 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.87 2qqn h SER 186 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2qqn h SER 186 CO 0.90 0.15 -0.08 0.77 -0.87 0.00 0.00 176.83 177.70 2qqn h SER 187 N 0.00 0.00 -0.39 4.97 4.64 -1.91 -3.03 113.55 117.84 2qqn h SER 187 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qqn h SER 187 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2qqn h SER 187 CO 0.02 0.08 0.00 -1.54 -0.87 0.00 0.00 176.83 174.52 2qqn n SER 188 N -3.41 3.32 0.10 4.97 3.41 -1.10 -4.60 113.62 116.31 2qqn n SER 188 Ca -0.01 -1.95 0.04 0.00 -0.26 0.00 0.00 58.87 56.69 2qqn n SER 188 Cb 0.23 -0.25 0.46 0.00 -0.26 0.00 0.00 64.21 64.39 2qqn n SER 188 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2qqn h LEU 189 N 3.94 0.27 0.00 1.04 3.38 -1.64 -2.14 115.31 120.16 2qqn h LEU 189 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2qqn h LEU 189 Cb 0.91 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2qqn h LEU 189 CO 0.00 0.28 -0.19 1.23 0.09 0.00 0.00 178.44 179.85 2qqn h GLY 190 N 0.49 0.00 -1.90 0.83 0.00 -1.85 -3.38 103.07 97.26 2qqn h GLY 190 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.32 2qqn h GLY 190 CO -0.00 0.00 -0.74 -1.30 0.00 0.00 0.00 176.54 174.50 2qqn n THR 191 N -2.95 1.15 -3.70 4.70 -2.24 -0.87 -5.01 114.28 105.36 2qqn n THR 191 Ca 0.03 -2.14 -0.11 0.00 -2.27 0.00 0.00 64.05 59.56 2qqn n THR 191 Cb 0.52 0.34 -0.12 0.00 -2.10 0.00 0.00 70.33 68.98 2qqn n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2qqn s GLN 192 N -1.69 0.28 -0.07 -0.78 2.00 -0.86 -5.04 119.66 113.50 2qqn s GLN 192 Ca 0.35 0.72 -0.14 0.00 -2.00 0.00 0.00 55.36 54.29 2qqn s GLN 192 Cb 0.37 -0.02 -0.05 0.00 0.80 0.00 0.00 33.01 34.11 2qqn s GLN 192 CO -0.11 -0.19 0.34 0.95 -0.50 0.00 0.00 175.29 175.78 2qqn s THR 193 N 1.65 5.19 -0.17 -0.34 -4.23 -1.26 -4.86 115.64 111.61 2qqn s THR 193 Ca -0.07 0.68 0.01 0.00 -1.18 0.00 0.00 61.69 61.13 2qqn s THR 193 Cb -0.10 -3.65 0.03 0.00 1.34 0.00 0.00 72.50 70.11 2qqn s THR 193 CO -0.11 0.52 -0.15 -0.31 -0.54 0.00 0.00 174.62 174.03 2qqn s TYR 194 N -0.56 2.47 -0.12 3.99 2.02 -1.26 -4.97 117.35 118.91 2qqn s TYR 194 Ca 0.21 -1.48 0.01 0.00 -0.37 0.00 0.00 57.07 55.44 2qqn s TYR 194 Cb -0.15 -1.73 0.02 0.00 -0.40 0.00 0.00 41.96 39.70 2qqn s TYR 194 CO 0.09 -0.74 -0.15 0.42 -1.57 0.00 0.00 175.55 173.60 2qqn s ILE 195 N 1.39 1.53 -0.14 2.71 1.01 -1.26 -1.04 121.20 125.39 2qqn s ILE 195 Ca 0.03 -0.65 -0.18 0.00 0.00 0.00 0.00 60.65 59.86 2qqn s ILE 195 Cb -0.14 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 2qqn s ILE 195 CO -0.11 0.45 0.49 0.00 0.00 0.00 0.00 174.94 175.77 2qqn s ASN 197 N 0.77 5.38 -0.26 0.00 -0.87 0.84 -1.78 114.94 119.02 2qqn s ASN 197 Ca 0.25 -0.70 -0.03 0.00 -1.57 0.00 0.00 52.86 50.81 2qqn s ASN 197 Cb -0.15 -1.95 0.02 0.00 -0.02 0.00 0.00 41.25 39.15 2qqn s ASN 197 CO 0.10 -0.23 -0.02 -0.69 -2.57 0.00 0.00 177.10 173.69 2qqn s VAL 198 N 1.55 3.25 -0.13 1.60 1.01 0.40 -1.32 120.40 126.75 2qqn s VAL 198 Ca 0.03 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 2qqn s VAL 198 Cb -0.18 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 2qqn s VAL 198 CO 0.04 0.19 -0.11 0.21 0.00 0.00 0.00 175.10 175.44 2qqn s ASN 199 N 1.39 4.21 -0.35 3.32 3.04 -0.21 -1.04 114.94 125.30 2qqn s ASN 199 Ca 0.02 -0.27 0.02 0.00 0.04 0.00 0.00 52.86 52.67 2qqn s ASN 199 Cb -0.16 -1.64 0.10 0.00 -1.54 0.00 0.00 41.25 38.01 2qqn s ASN 199 CO -0.02 0.17 0.09 -2.28 -3.04 0.00 0.00 177.10 172.02 2qqn s HIS 200 N 0.32 2.97 0.20 0.43 5.65 -0.06 -1.23 115.29 123.57 2qqn s HIS 200 Ca -0.09 -2.59 0.12 0.00 0.25 0.00 0.00 55.06 52.75 2qqn s HIS 200 Cb -0.15 -2.48 0.30 0.00 -1.18 0.00 0.00 32.58 29.07 2qqn s HIS 200 CO 0.05 -0.90 1.57 0.87 -0.65 0.00 0.00 174.74 175.67 2qqn h LYS 201 N 7.63 0.00 -0.87 2.88 1.79 -1.81 -0.49 116.57 125.69 2qqn h LYS 201 Ca -0.07 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.51 2qqn h LYS 201 Cb 1.00 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.59 2qqn h LYS 201 CO 0.52 0.63 0.56 -1.35 -1.08 0.00 0.00 179.45 178.73 2qqn h PRO 202 N 0.00 0.76 -0.18 3.15 0.11 -1.89 -2.76 132.00 131.19 2qqn h PRO 202 Ca -0.01 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2qqn h PRO 202 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2qqn h PRO 202 CO 0.08 0.50 0.00 -1.13 -0.21 0.00 0.00 178.00 177.24 2qqn n SER 203 N -4.54 3.33 -4.03 -2.05 3.41 -1.19 -5.01 113.62 103.54 2qqn n SER 203 Ca 0.16 -2.94 -0.27 0.00 -0.26 0.00 0.00 58.87 55.56 2qqn n SER 203 Cb 0.38 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 2qqn n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2qqn n ASN 204 N -0.71 -0.30 -4.32 4.04 5.15 -0.34 -4.95 115.26 113.83 2qqn n ASN 204 Ca 0.19 -1.05 -0.28 0.00 -0.60 0.00 0.00 54.58 52.84 2qqn n ASN 204 Cb 0.77 -2.81 -0.14 0.00 -0.53 0.00 0.00 39.78 37.07 2qqn n ASN 204 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2qqn s THR 205 N -3.98 1.98 -0.03 -0.44 -1.32 -0.36 -5.01 115.64 106.49 2qqn s THR 205 Ca 0.05 -1.48 0.00 0.00 -1.21 0.00 0.00 61.69 59.05 2qqn s THR 205 Cb -0.03 -1.74 0.03 0.00 -1.51 0.00 0.00 72.50 69.25 2qqn s THR 205 CO 0.91 0.17 0.00 -0.75 -2.21 0.00 0.00 174.62 172.74 2qqn s LYS 206 N -1.59 0.27 0.00 7.08 2.20 -1.26 -0.88 119.74 125.56 2qqn s LYS 206 Ca 0.10 0.09 0.07 0.00 -0.36 0.00 0.00 55.97 55.87 2qqn s LYS 206 Cb -0.10 -0.46 -0.02 0.00 -1.51 0.00 0.00 37.83 35.74 2qqn s LYS 206 CO 0.04 -0.14 -0.22 0.08 -0.36 0.00 0.00 175.35 174.75 2qqn s VAL 207 N 1.03 1.74 -0.11 4.02 1.01 -0.21 -5.00 120.40 122.89 2qqn s VAL 207 Ca -0.10 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.88 2qqn s VAL 207 Cb -0.13 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.80 2qqn s VAL 207 CO -0.02 0.41 -0.15 -1.81 0.00 0.00 0.00 175.10 173.54 2qqn s ASP 208 N -0.71 2.39 -0.21 3.32 1.01 -1.26 -0.46 116.67 120.76 2qqn s ASP 208 Ca 0.08 -0.42 0.02 0.00 0.71 0.00 0.00 52.55 52.94 2qqn s ASP 208 Cb -0.09 -1.06 0.03 0.00 1.01 0.00 0.00 42.92 42.81 2qqn s ASP 208 CO -0.00 0.01 -0.17 -0.75 0.21 0.00 0.00 175.17 174.47 2qqn s LYS 209 N 1.02 2.74 0.22 8.23 2.47 -0.73 -4.97 119.74 128.73 2qqn s LYS 209 Ca -0.06 -1.00 -0.30 0.00 -1.56 0.00 0.00 55.97 53.05 2qqn s LYS 209 Cb -0.15 -2.68 -0.10 0.00 -1.46 0.00 0.00 37.83 33.45 2qqn s LYS 209 CO -0.02 -0.33 1.41 0.21 0.16 0.00 0.00 175.35 176.78 2qqn s LYS 210 N 1.23 4.30 -0.23 4.03 2.20 -1.26 -1.93 119.74 128.08 2qqn s LYS 210 Ca 0.00 2.22 0.02 0.00 -0.36 0.00 0.00 55.97 57.85 2qqn s LYS 210 Cb -0.15 -3.15 0.05 0.00 -1.51 0.00 0.00 37.83 33.07 2qqn s LYS 210 CO -0.10 -0.38 -0.13 0.08 -0.36 0.00 0.00 175.35 174.46 2qqn s VAL 211 N 0.18 2.01 0.29 4.02 1.01 -0.21 -4.91 120.40 122.79 2qqn s VAL 211 Ca 0.60 -1.34 0.08 0.00 0.00 0.00 0.00 61.98 61.32 2qqn s VAL 211 Cb -0.40 -2.05 -0.06 0.00 0.00 0.00 0.00 36.38 33.87 2qqn s VAL 211 CO 0.40 0.13 -0.08 -1.83 0.00 0.00 0.00 175.10 173.73 2qqn s GLU 212 N 1.22 1.61 0.45 2.72 -1.05 -1.26 -4.35 118.70 118.05 2qqn s GLU 212 Ca -0.04 -1.81 -0.24 0.00 -0.15 0.00 0.00 54.97 52.72 2qqn s GLU 212 Cb -0.18 -1.32 -0.09 0.00 -0.44 0.00 0.00 34.13 32.11 2qqn s GLU 212 CO -0.08 0.08 1.27 -2.30 0.95 0.00 0.00 175.26 175.19 2qqn n PRO 213 N -0.63 1.84 -2.17 -4.83 -0.02 -1.26 -4.36 135.00 123.57 2qqn n PRO 213 Ca -0.05 0.66 -0.41 0.00 -2.02 0.00 0.00 63.50 61.67 2qqn n PRO 213 Cb 0.63 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 2qqn n PRO 213 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2qqn s LYS 214 N -2.36 4.36 0.00 -0.52 2.20 -1.26 -4.99 119.74 117.17 2qqn s LYS 214 Ca 0.64 2.11 -0.30 0.00 -0.36 0.00 0.00 55.97 58.05 2qqn s LYS 214 Cb -0.48 -3.17 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 2qqn s LYS 214 CO 0.56 -0.29 1.25 -1.12 -0.36 0.00 0.00 175.35 175.39 2qqn s SER 215 N 0.33 7.01 0.00 1.43 0.01 -1.26 -4.94 113.70 116.28 2qqn s SER 215 Ca 0.57 1.96 0.16 0.00 1.31 0.00 0.00 55.95 59.95 2qqn s SER 215 Cb -0.38 -2.57 0.26 0.00 0.21 0.00 0.00 66.02 63.55 2qqn s SER 215 CO 0.39 -0.57 1.16 0.00 0.41 0.00 0.00 173.24 174.63 2qqn s ASP 217 N -1.19 6.67 0.23 0.00 1.01 -1.26 -5.05 116.67 117.09 2qqn s ASP 217 Ca 0.25 1.03 -0.28 0.00 0.71 0.00 0.00 52.55 54.26 2qqn s ASP 217 Cb 0.15 -2.27 -0.09 0.00 1.01 0.00 0.00 42.92 41.72 2qqn s ASP 217 CO 0.21 -0.11 0.90 -1.59 0.21 0.00 0.00 175.17 174.79 2qqn s LYS 218 N -2.87 4.76 0.46 8.23 -2.85 -1.26 -5.07 119.74 121.16 2qqn s LYS 218 Ca 0.49 1.39 -0.03 0.00 -1.00 0.00 0.00 55.97 56.83 2qqn s LYS 218 Cb -0.11 -3.23 -0.02 0.00 -2.06 0.00 0.00 37.83 32.41 2qqn s LYS 218 CO 0.20 0.51 0.73 0.99 0.10 0.00 0.00 175.35 177.88 2qqn s THR 219 N -1.21 4.63 -2.52 3.79 2.01 -1.26 -5.29 115.64 115.79 2qqn s THR 219 Ca 0.41 -0.08 0.28 0.00 0.31 0.00 0.00 61.69 62.61 2qqn s THR 219 Cb -0.25 -3.75 0.54 0.00 0.01 0.00 0.00 72.50 69.06 2qqn s THR 219 CO 0.30 -0.65 1.73 1.57 -0.69 0.00 0.00 174.62 176.87