#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqb s GLN 3 N 0.00 0.36 -0.26 7.34 -1.52 -0.56 -5.01 119.66 120.01 1nqb s GLN 3 Ca 0.00 -0.11 -0.00 0.00 -1.95 0.00 0.00 55.36 53.30 1nqb s GLN 3 Cb 0.00 -0.38 0.07 0.00 -0.22 0.00 0.00 33.01 32.48 1nqb s GLN 3 CO 0.00 0.04 0.02 -0.51 -0.25 0.00 0.00 175.29 174.59 1nqb s LEU 4 N 0.15 2.44 -0.33 2.90 1.43 -1.26 -1.84 118.68 122.16 1nqb s LEU 4 Ca -0.01 -1.33 -0.15 0.00 -1.03 0.00 0.00 54.13 51.60 1nqb s LEU 4 Cb -0.04 -1.03 -0.01 0.00 0.03 0.00 0.00 46.19 45.13 1nqb s LEU 4 CO -0.00 -0.31 0.37 -1.58 0.23 0.00 0.00 176.35 175.05 1nqb s GLN 5 N 1.49 3.62 0.18 1.70 2.00 -0.21 -3.73 119.66 124.70 1nqb s GLN 5 Ca 0.01 -0.36 0.03 0.00 -2.00 0.00 0.00 55.36 53.05 1nqb s GLN 5 Cb -0.18 -3.79 -0.03 0.00 0.80 0.00 0.00 33.01 29.81 1nqb s GLN 5 CO -0.12 -0.50 0.30 -0.65 -0.50 0.00 0.00 175.29 173.82 1nqb s GLN 6 N 2.04 3.41 0.79 1.67 -0.21 -1.26 -0.72 119.66 125.38 1nqb s GLN 6 Ca 0.12 -0.66 -0.10 0.00 0.02 0.00 0.00 55.36 54.74 1nqb s GLN 6 Cb -0.16 -2.93 0.07 0.00 1.00 0.00 0.00 33.01 30.99 1nqb s GLN 6 CO 0.12 0.49 1.10 -1.54 -2.12 0.00 0.00 175.29 173.34 1nqb s SER 7 N -3.44 4.28 1.03 5.90 1.04 -1.07 -4.97 113.70 116.47 1nqb s SER 7 Ca 0.34 1.88 -0.12 0.00 0.48 0.00 0.00 55.95 58.53 1nqb s SER 7 Cb -0.10 -2.53 0.21 0.00 0.10 0.00 0.00 66.02 63.70 1nqb s SER 7 CO 0.28 -2.19 1.07 -0.83 0.98 0.00 0.00 173.24 172.56 1nqb s GLY 8 N -3.28 1.58 0.55 7.32 0.00 -1.26 -4.60 107.32 107.62 1nqb s GLY 8 Ca 0.62 -0.14 -0.19 0.00 0.00 0.00 0.00 44.72 45.00 1nqb s GLY 8 CO 0.56 0.47 0.82 0.00 0.00 0.00 0.00 173.10 174.95 1nqb n ALA 9 N -4.39 -0.30 -3.57 3.20 0.00 -1.26 -4.79 120.51 109.40 1nqb n ALA 9 Ca 0.05 0.04 -0.26 0.00 0.00 0.00 0.00 53.44 53.27 1nqb n ALA 9 Cb 0.55 -2.00 -0.17 0.00 0.00 0.00 0.00 19.45 17.83 1nqb n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nqb s GLU 10 N -2.38 1.90 -0.28 0.00 0.41 -0.31 -5.00 118.70 113.03 1nqb s GLU 10 Ca 0.71 -0.46 -0.01 0.00 -0.41 0.00 0.00 54.97 54.80 1nqb s GLU 10 Cb -0.46 -1.62 0.05 0.00 -1.78 0.00 0.00 34.13 30.32 1nqb s GLU 10 CO 0.51 -0.03 -0.03 -1.17 -0.49 0.00 0.00 175.26 174.05 1nqb s LEU 11 N 0.89 3.69 0.16 1.80 0.20 -1.26 -0.89 118.68 123.27 1nqb s LEU 11 Ca -0.10 -1.23 0.05 0.00 0.69 0.00 0.00 54.13 53.55 1nqb s LEU 11 Cb -0.15 -1.67 -0.04 0.00 -0.43 0.00 0.00 46.19 43.89 1nqb s LEU 11 CO 0.01 -0.22 -0.12 0.68 -0.29 0.00 0.00 176.35 176.41 1nqb s VAL 12 N 1.24 1.34 0.37 1.68 -7.23 0.21 -5.00 120.40 113.00 1nqb s VAL 12 Ca -0.05 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.04 1nqb s VAL 12 Cb -0.19 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 1nqb s VAL 12 CO -0.02 -0.69 0.57 -0.54 -0.31 0.00 0.00 175.10 174.11 1nqb s LYS 13 N -3.66 3.42 0.41 4.82 1.02 -1.26 -0.31 119.74 124.17 1nqb s LYS 13 Ca 0.18 -0.35 -0.26 0.00 0.02 0.00 0.00 55.97 55.55 1nqb s LYS 13 Cb 0.01 -2.64 -0.10 0.00 -0.52 0.00 0.00 37.83 34.58 1nqb s LYS 13 CO 0.02 0.07 1.36 -2.30 -0.92 0.00 0.00 175.35 173.58 1nqb n PRO 14 N -1.85 2.19 0.00 -1.68 -0.02 -1.26 -2.72 135.00 129.66 1nqb n PRO 14 Ca -0.04 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1nqb n PRO 14 Cb 0.56 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1nqb n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nqb n GLY 15 N 0.68 3.37 3.72 -1.23 0.00 -0.52 -4.98 105.19 106.23 1nqb n GLY 15 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1nqb n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqb s ALA 16 N -2.98 1.25 0.12 4.61 0.00 -1.10 -4.17 121.76 119.49 1nqb s ALA 16 Ca 0.00 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.22 1nqb s ALA 16 Cb 0.00 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1nqb s ALA 16 CO 0.00 -2.93 -0.13 -1.12 0.00 0.00 0.00 175.76 171.58 1nqb s SER 17 N -4.03 1.86 0.01 0.00 0.01 -1.26 -1.75 113.70 108.54 1nqb s SER 17 Ca 0.69 -0.83 -0.03 0.00 1.31 0.00 0.00 55.95 57.08 1nqb s SER 17 Cb -0.11 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.06 1nqb s SER 17 CO 0.55 -0.19 0.04 0.68 0.41 0.00 0.00 173.24 174.73 1nqb s VAL 18 N -2.34 0.10 -0.19 3.43 -7.23 -0.26 -5.01 120.40 108.90 1nqb s VAL 18 Ca 0.09 -0.81 0.01 0.00 -1.81 0.00 0.00 61.98 59.46 1nqb s VAL 18 Cb -0.04 -0.33 0.04 0.00 0.56 0.00 0.00 36.38 36.60 1nqb s VAL 18 CO 0.02 -0.45 -0.13 -0.75 -0.31 0.00 0.00 175.10 173.49 1nqb s LYS 19 N -1.42 2.27 0.02 4.82 2.20 -1.26 -1.07 119.74 125.29 1nqb s LYS 19 Ca -0.15 -0.81 -0.01 0.00 -0.36 0.00 0.00 55.97 54.63 1nqb s LYS 19 Cb -0.09 -2.40 -0.04 0.00 -1.51 0.00 0.00 37.83 33.79 1nqb s LYS 19 CO 0.00 -0.36 0.19 -0.51 -0.36 0.00 0.00 175.35 174.31 1nqb s LEU 20 N 1.38 4.33 0.24 5.43 1.43 -0.49 -4.96 118.68 126.04 1nqb s LEU 20 Ca 0.01 0.29 0.11 0.00 -1.03 0.00 0.00 54.13 53.51 1nqb s LEU 20 Cb -0.15 -2.75 -0.05 0.00 0.03 0.00 0.00 46.19 43.27 1nqb s LEU 20 CO -0.09 0.22 -0.20 -0.94 0.23 0.00 0.00 176.35 175.57 1nqb s SER 21 N -2.19 3.37 -0.31 2.29 1.04 -1.26 -1.55 113.70 115.09 1nqb s SER 21 Ca 0.31 -0.98 -0.00 0.00 0.48 0.00 0.00 55.95 55.75 1nqb s SER 21 Cb -0.13 -0.26 0.13 0.00 0.10 0.00 0.00 66.02 65.87 1nqb s SER 21 CO 0.23 0.03 0.27 0.00 0.98 0.00 0.00 173.24 174.75 1nqb s LYS 23 N 2.10 4.31 -0.05 0.00 1.02 0.10 -1.57 119.74 125.64 1nqb s LYS 23 Ca 0.11 1.08 -0.03 0.00 0.02 0.00 0.00 55.97 57.15 1nqb s LYS 23 Cb -0.15 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 1nqb s LYS 23 CO -0.27 -0.34 0.12 0.00 -0.92 0.00 0.00 175.35 173.93 1nqb s ALA 24 N 2.19 3.75 0.01 5.17 0.00 -0.54 -1.05 121.76 131.29 1nqb s ALA 24 Ca 0.40 -0.76 -0.19 0.00 0.00 0.00 0.00 51.96 51.41 1nqb s ALA 24 Cb -0.17 -1.78 0.04 0.00 0.00 0.00 0.00 23.12 21.21 1nqb s ALA 24 CO 0.13 0.67 0.42 -1.54 0.00 0.00 0.00 175.76 175.44 1nqb s SER 25 N -1.47 -0.31 0.00 0.00 1.04 -0.77 -4.88 113.70 107.31 1nqb s SER 25 Ca 0.21 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.78 1nqb s SER 25 Cb -0.12 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1nqb s SER 25 CO 0.11 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1nqb n GLY 26 N 0.84 0.46 3.70 7.32 0.00 -1.26 -1.50 105.19 114.74 1nqb n GLY 26 Ca -0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 1nqb n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nqb s TYR 27 N -2.02 -0.25 -0.54 1.61 1.13 -1.26 -4.97 117.35 111.05 1nqb s TYR 27 Ca 0.00 -0.07 -0.28 0.00 -1.41 0.00 0.00 57.07 55.31 1nqb s TYR 27 Cb 0.00 0.64 0.01 0.00 -1.10 0.00 0.00 41.96 41.51 1nqb s TYR 27 CO 0.00 -0.94 1.46 0.99 -2.51 0.00 0.00 175.55 174.55 1nqb s THR 28 N -3.57 3.75 0.23 -3.49 2.01 -1.26 -4.92 115.64 108.39 1nqb s THR 28 Ca 0.09 0.65 -0.16 0.00 0.31 0.00 0.00 61.69 62.58 1nqb s THR 28 Cb -0.03 -4.35 0.25 0.00 0.01 0.00 0.00 72.50 68.38 1nqb s THR 28 CO -0.00 -1.08 1.57 0.15 -0.69 0.00 0.00 174.62 174.56 1nqb h PHE 29 N 11.37 -0.90 0.00 4.92 3.57 -1.95 -1.05 116.94 132.90 1nqb h PHE 29 Ca -0.27 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.32 1nqb h PHE 29 Cb 1.10 0.52 0.00 0.00 2.79 0.00 0.00 35.95 40.37 1nqb h PHE 29 CO 1.03 -0.40 0.00 0.25 -2.23 0.00 0.00 178.31 176.96 1nqb n THR 30 N -5.49 1.04 1.43 4.41 -2.24 -1.26 -3.33 114.28 108.84 1nqb n THR 30 Ca 0.10 0.27 0.14 0.00 -2.27 0.00 0.00 64.05 62.29 1nqb n THR 30 Cb 0.40 -1.08 0.60 0.00 -2.10 0.00 0.00 70.33 68.16 1nqb n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1nqb n SER 31 N -1.64 0.58 -4.00 3.42 7.64 -0.40 -3.73 113.62 115.49 1nqb n SER 31 Ca 0.03 -0.70 -0.15 0.00 1.01 0.00 0.00 58.87 59.06 1nqb n SER 31 Cb 0.17 -0.04 -0.14 0.00 -1.01 0.00 0.00 64.21 63.19 1nqb n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1nqb s TYR 32 N -2.42 0.58 0.65 1.43 1.51 -1.21 -4.90 117.35 112.99 1nqb s TYR 32 Ca 0.30 -0.22 -0.13 0.00 -1.01 0.00 0.00 57.07 56.01 1nqb s TYR 32 Cb 0.20 -0.36 -0.01 0.00 -0.11 0.00 0.00 41.96 41.68 1nqb s TYR 32 CO 0.46 -0.03 1.06 -1.58 -1.11 0.00 0.00 175.55 174.35 1nqb s TRP 33 N -0.52 3.07 -0.08 2.71 0.52 -1.26 -4.41 118.94 118.96 1nqb s TRP 33 Ca -0.01 1.46 0.03 0.00 0.02 0.00 0.00 56.10 57.60 1nqb s TRP 33 Cb -0.05 -2.93 0.01 0.00 -1.15 0.00 0.00 33.47 29.35 1nqb s TRP 33 CO 0.00 -1.16 -0.18 1.41 0.02 0.00 0.00 176.95 177.05 1nqb s MET 34 N -4.60 2.31 0.24 4.98 1.75 -0.56 -1.95 119.30 121.46 1nqb s MET 34 Ca 0.60 -0.63 0.08 0.00 -1.25 0.00 0.00 55.69 54.49 1nqb s MET 34 Cb -0.15 -1.81 -0.04 0.00 2.84 0.00 0.00 34.83 35.67 1nqb s MET 34 CO 0.46 0.10 0.11 -1.01 -0.65 0.00 0.00 175.02 174.04 1nqb s HIS 35 N 0.50 2.97 -0.03 4.11 3.76 0.09 -1.72 115.29 124.98 1nqb s HIS 35 Ca -0.16 -0.13 0.05 0.00 -0.15 0.00 0.00 55.06 54.66 1nqb s HIS 35 Cb -0.17 -1.35 -0.01 0.00 1.11 0.00 0.00 32.58 32.16 1nqb s HIS 35 CO 0.06 0.55 -0.17 -1.58 -0.85 0.00 0.00 174.74 172.75 1nqb s TRP 36 N -2.09 1.58 0.04 1.40 0.52 -0.86 -0.82 118.94 118.72 1nqb s TRP 36 Ca 0.32 -0.38 0.05 0.00 0.02 0.00 0.00 56.10 56.10 1nqb s TRP 36 Cb -0.08 -1.05 -0.02 0.00 -1.15 0.00 0.00 33.47 31.17 1nqb s TRP 36 CO 0.23 -0.10 -0.14 0.08 0.02 0.00 0.00 176.95 177.04 1nqb s VAL 37 N -0.16 1.12 -0.04 4.03 1.01 0.05 -1.61 120.40 124.80 1nqb s VAL 37 Ca 0.01 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.02 1nqb s VAL 37 Cb -0.09 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1nqb s VAL 37 CO 0.01 -0.00 -0.16 -0.75 0.00 0.00 0.00 175.10 174.20 1nqb s LYS 38 N -1.16 2.43 -0.23 2.72 2.20 -0.38 -1.06 119.74 124.26 1nqb s LYS 38 Ca 0.01 -0.74 -0.04 0.00 -0.36 0.00 0.00 55.97 54.84 1nqb s LYS 38 Cb -0.08 -2.33 0.08 0.00 -1.51 0.00 0.00 37.83 33.99 1nqb s LYS 38 CO 0.01 0.61 0.09 -1.14 -0.36 0.00 0.00 175.35 174.56 1nqb s GLN 39 N -0.80 0.30 0.52 4.03 0.74 -0.31 -1.50 119.66 122.64 1nqb s GLN 39 Ca 0.12 -0.40 -0.18 0.00 0.05 0.00 0.00 55.36 54.95 1nqb s GLN 39 Cb -0.11 -1.70 -0.07 0.00 1.10 0.00 0.00 33.01 32.24 1nqb s GLN 39 CO 0.01 -0.81 1.01 1.03 -0.55 0.00 0.00 175.29 175.99 1nqb s ARG 40 N 2.01 3.76 -0.64 1.67 0.52 -1.24 -0.98 118.95 124.06 1nqb s ARG 40 Ca 0.04 1.13 -0.35 0.00 -0.52 0.00 0.00 55.73 56.04 1nqb s ARG 40 Cb -0.16 -2.10 -0.16 0.00 0.52 0.00 0.00 34.95 33.04 1nqb s ARG 40 CO -0.19 -0.44 2.39 -2.30 0.02 0.00 0.00 175.30 174.78 1nqb n PRO 41 N -1.48 0.42 -3.38 3.54 -0.02 -1.26 -1.25 135.00 131.57 1nqb n PRO 41 Ca 0.08 0.07 -0.25 0.00 -2.02 0.00 0.00 63.50 61.39 1nqb n PRO 41 Cb 0.53 -2.02 0.03 0.00 -0.02 0.00 0.00 33.50 32.02 1nqb n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nqb n GLY 42 N 6.69 -0.51 0.00 -1.23 0.00 -1.26 -4.90 105.19 103.98 1nqb n GLY 42 Ca 0.53 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1nqb n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nqb n ARG 43 N -4.24 1.30 0.00 1.61 1.74 -0.38 -5.15 116.66 111.54 1nqb n ARG 43 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1nqb n ARG 43 Cb 0.57 -0.89 0.00 0.00 -1.02 0.00 0.00 32.46 31.12 1nqb n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nqb n GLY 44 N 2.10 0.80 3.52 -0.13 0.00 -1.26 -4.96 105.19 105.27 1nqb n GLY 44 Ca 0.00 -2.18 -0.31 0.00 0.00 0.00 0.00 46.02 43.53 1nqb n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nqb s LEU 45 N 0.00 2.87 0.01 0.99 1.43 -1.26 -3.67 118.68 119.05 1nqb s LEU 45 Ca 0.00 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1nqb s LEU 45 Cb 0.00 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 1nqb s LEU 45 CO 0.00 0.25 -0.05 -1.61 0.23 0.00 0.00 176.35 175.18 1nqb s GLU 46 N -1.56 0.35 -0.14 1.70 2.02 -0.56 -5.00 118.70 115.51 1nqb s GLU 46 Ca 0.17 -0.36 -0.20 0.00 0.02 0.00 0.00 54.97 54.60 1nqb s GLU 46 Cb -0.11 -0.22 -0.04 0.00 0.10 0.00 0.00 34.13 33.86 1nqb s GLU 46 CO 0.07 0.05 0.56 -0.46 0.02 0.00 0.00 175.26 175.51 1nqb s TRP 47 N -0.62 3.47 -0.17 1.61 -0.00 -1.26 -1.25 118.94 120.70 1nqb s TRP 47 Ca -0.04 0.94 -0.15 0.00 -0.00 0.00 0.00 56.10 56.85 1nqb s TRP 47 Cb -0.05 -2.68 -0.10 0.00 -0.00 0.00 0.00 33.47 30.64 1nqb s TRP 47 CO -0.00 0.03 -0.02 -0.89 -0.00 0.00 0.00 176.95 176.07 1nqb n ILE 48 N 4.09 1.47 -2.00 5.86 5.41 -0.63 -4.67 119.36 128.88 1nqb n ILE 48 Ca -0.04 0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1nqb n ILE 48 Cb 0.51 -2.23 0.00 0.00 -0.71 0.00 0.00 39.64 37.21 1nqb n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1nqb n GLY 49 N 1.52 -1.40 3.33 7.39 0.00 -1.24 -0.40 105.19 114.40 1nqb n GLY 49 Ca -0.19 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 1nqb n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1nqb s ARG 50 N -1.11 1.09 0.02 1.61 1.04 0.28 -2.03 118.95 119.85 1nqb s ARG 50 Ca 0.00 -0.86 0.01 0.00 -1.04 0.00 0.00 55.73 53.84 1nqb s ARG 50 Cb 0.00 0.44 -0.01 0.00 -2.04 0.00 0.00 34.95 33.33 1nqb s ARG 50 CO 0.00 -0.42 -0.04 -1.50 -0.04 0.00 0.00 175.30 173.30 1nqb s ILE 51 N -3.85 0.27 -0.41 4.99 2.07 -0.70 -1.49 121.20 122.08 1nqb s ILE 51 Ca 0.07 -0.63 -0.14 0.00 -1.41 0.00 0.00 60.65 58.53 1nqb s ILE 51 Cb 0.02 -0.32 0.02 0.00 0.13 0.00 0.00 42.46 42.31 1nqb s ILE 51 CO -0.08 -0.24 0.29 -0.62 -1.91 0.00 0.00 174.94 172.37 1nqb s ASP 52 N -0.93 6.05 0.57 4.50 2.15 -0.20 -1.50 116.67 127.31 1nqb s ASP 52 Ca -0.07 -0.92 0.28 0.00 0.43 0.00 0.00 52.55 52.26 1nqb s ASP 52 Cb -0.06 -2.14 1.69 0.00 -0.30 0.00 0.00 42.92 42.10 1nqb s ASP 52 CO -0.00 -0.44 2.21 -0.65 -0.17 0.00 0.00 175.17 176.11 1nqb h PRO 53 N 8.60 0.00 0.23 4.34 0.11 -1.84 0.24 132.00 143.68 1nqb h PRO 53 Ca -0.27 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 1nqb h PRO 53 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1nqb h PRO 53 CO 0.72 0.03 -0.11 -0.97 -0.21 0.00 0.00 178.00 177.46 1nqb h ASN 54 N 0.00 -0.26 0.19 -2.05 -1.24 -1.90 -3.37 115.58 106.94 1nqb h ASN 54 Ca -0.00 -0.27 0.00 0.00 0.71 0.00 0.00 56.30 56.74 1nqb h ASN 54 Cb 0.07 0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.18 1nqb h ASN 54 CO 0.00 0.21 -1.69 -1.54 -1.29 0.00 0.00 177.43 173.12 1nqb n SER 55 N -5.02 0.26 0.00 1.15 3.41 -1.21 -5.00 113.62 107.21 1nqb n SER 55 Ca -0.08 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1nqb n SER 55 Cb 0.26 1.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.80 1nqb n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nqb n GLY 56 N 1.27 0.75 3.77 5.00 0.00 0.83 -5.05 105.19 111.77 1nqb n GLY 56 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1nqb n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nqb s GLY 57 N -1.64 2.66 0.12 -0.02 0.00 -1.24 -4.75 107.32 102.45 1nqb s GLY 57 Ca 0.00 0.84 0.03 0.00 0.00 0.00 0.00 44.72 45.59 1nqb s GLY 57 CO 0.00 1.21 -0.09 -0.51 0.00 0.00 0.00 173.10 173.72 1nqb s THR 58 N -1.73 0.93 -0.08 0.90 -4.23 -1.26 -1.03 115.64 109.14 1nqb s THR 58 Ca 0.70 -1.95 -0.04 0.00 -1.18 0.00 0.00 61.69 59.23 1nqb s THR 58 Cb -0.24 -1.71 0.04 0.00 1.34 0.00 0.00 72.50 71.93 1nqb s THR 58 CO 0.28 -0.78 0.18 -0.75 -0.54 0.00 0.00 174.62 173.01 1nqb s LYS 59 N -3.66 0.11 0.24 3.99 2.47 -0.56 -5.00 119.74 117.33 1nqb s LYS 59 Ca 0.13 0.46 0.10 0.00 -1.56 0.00 0.00 55.97 55.10 1nqb s LYS 59 Cb 0.03 -0.17 -0.04 0.00 -1.46 0.00 0.00 37.83 36.18 1nqb s LYS 59 CO -0.02 -0.19 -0.10 0.71 0.16 0.00 0.00 175.35 175.90 1nqb s TYR 60 N 1.44 2.53 -0.12 4.03 1.51 -1.26 -0.55 117.35 124.92 1nqb s TYR 60 Ca -0.07 -0.26 -0.29 0.00 -1.01 0.00 0.00 57.07 55.44 1nqb s TYR 60 Cb -0.11 -1.16 -0.01 0.00 -0.11 0.00 0.00 41.96 40.56 1nqb s TYR 60 CO -0.07 0.60 0.98 1.21 -1.11 0.00 0.00 175.55 177.17 1nqb s ASN 61 N -3.29 7.19 0.41 2.29 3.84 0.47 -4.91 114.94 120.94 1nqb s ASN 61 Ca 0.28 1.47 0.23 0.00 0.21 0.00 0.00 52.86 55.05 1nqb s ASN 61 Cb -0.07 -2.54 1.23 0.00 -0.55 0.00 0.00 41.25 39.32 1nqb s ASN 61 CO 0.16 -0.45 1.71 -0.08 -2.79 0.00 0.00 177.10 175.66 1nqb h GLU 62 N 7.14 0.26 0.00 0.43 4.57 -1.95 0.11 114.58 125.14 1nqb h GLU 62 Ca -0.30 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.85 1nqb h GLU 62 Cb 1.14 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1nqb h GLU 62 CO 0.86 0.17 -0.07 -0.22 -1.18 0.00 0.00 179.01 178.57 1nqb h LYS 63 N 0.27 0.00 -0.25 1.92 3.64 -1.95 -2.98 116.57 117.22 1nqb h LYS 63 Ca 0.68 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.06 1nqb h LYS 63 Cb 1.91 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.73 1nqb h LYS 63 CO -0.35 0.07 0.00 1.19 -2.27 0.00 0.00 179.45 178.09 1nqb n PHE 64 N -4.21 0.32 -0.24 1.91 3.72 0.35 -4.67 117.46 114.64 1nqb n PHE 64 Ca -0.03 -0.28 0.04 0.00 -0.05 0.00 0.00 57.45 57.13 1nqb n PHE 64 Cb 0.15 -0.01 0.28 0.00 -0.94 0.00 0.00 39.48 38.96 1nqb n PHE 64 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1nqb h LYS 65 N 2.56 0.91 0.00 -1.08 3.64 -1.35 -0.46 116.57 120.79 1nqb h LYS 65 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1nqb h LYS 65 Cb 0.69 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1nqb h LYS 65 CO 0.00 0.60 -0.30 0.43 -2.27 0.00 0.00 179.45 177.91 1nqb n SER 66 N -4.47 0.50 -0.11 4.20 7.64 -1.26 -4.19 113.62 115.94 1nqb n SER 66 Ca 0.11 0.22 -0.14 0.00 1.01 0.00 0.00 58.87 60.08 1nqb n SER 66 Cb 0.17 -0.19 -0.14 0.00 -1.01 0.00 0.00 64.21 63.04 1nqb n SER 66 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1nqb n LYS 67 N -1.85 0.67 -4.58 1.43 3.00 -0.63 -4.88 118.16 111.33 1nqb n LYS 67 Ca 0.05 0.08 -0.29 0.00 -0.00 0.00 0.00 58.31 58.15 1nqb n LYS 67 Cb 0.39 -1.54 -0.14 0.00 0.00 0.00 0.00 35.03 33.74 1nqb n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1nqb s ALA 68 N -2.51 2.30 -0.05 3.14 0.00 -0.28 -2.45 121.76 121.91 1nqb s ALA 68 Ca -0.21 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.38 1nqb s ALA 68 Cb 0.07 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.81 1nqb s ALA 68 CO 0.73 0.53 -0.03 0.99 0.00 0.00 0.00 175.76 177.98 1nqb s THR 69 N -0.96 0.42 -0.11 0.00 2.01 -0.77 -4.78 115.64 111.45 1nqb s THR 69 Ca 0.13 -0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.07 1nqb s THR 69 Cb -0.10 -0.49 -0.03 0.00 0.01 0.00 0.00 72.50 71.89 1nqb s THR 69 CO 0.04 0.21 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.42 1nqb s LEU 70 N 1.12 3.49 0.20 4.42 1.43 -1.26 -1.38 118.68 126.70 1nqb s LEU 70 Ca -0.08 0.05 -0.07 0.00 -1.03 0.00 0.00 54.13 53.01 1nqb s LEU 70 Cb -0.14 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1nqb s LEU 70 CO -0.01 0.30 0.27 0.42 0.23 0.00 0.00 176.35 177.55 1nqb s THR 71 N -0.40 0.03 0.05 5.49 -4.23 -0.92 -5.02 115.64 110.64 1nqb s THR 71 Ca 0.07 -1.65 -0.01 0.00 -1.18 0.00 0.00 61.69 58.93 1nqb s THR 71 Cb -0.12 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.50 1nqb s THR 71 CO 0.02 -0.13 -0.03 0.68 -0.54 0.00 0.00 174.62 174.61 1nqb s VAL 72 N -4.05 0.26 -0.28 2.29 -7.23 -1.26 -0.33 120.40 109.80 1nqb s VAL 72 Ca 0.27 -1.76 0.01 0.00 -1.81 0.00 0.00 61.98 58.69 1nqb s VAL 72 Cb 0.04 -1.45 0.08 0.00 0.56 0.00 0.00 36.38 35.61 1nqb s VAL 72 CO 0.07 -0.95 0.01 -0.62 -0.31 0.00 0.00 175.10 173.30 1nqb s ASP 73 N -2.83 4.11 0.11 4.85 2.15 -0.00 -4.98 116.67 120.08 1nqb s ASP 73 Ca 0.06 -1.54 -0.22 0.00 0.43 0.00 0.00 52.55 51.29 1nqb s ASP 73 Cb 0.06 -1.20 -0.08 0.00 -0.30 0.00 0.00 42.92 41.40 1nqb s ASP 73 CO -0.09 -0.32 1.72 0.11 -0.17 0.00 0.00 175.17 176.42 1nqb h LYS 74 N 7.91 -0.02 -0.93 4.34 1.57 -1.94 -2.39 116.57 125.11 1nqb h LYS 74 Ca -0.13 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.79 1nqb h LYS 74 Cb 1.04 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.27 1nqb h LYS 74 CO 0.45 -0.01 0.55 -1.35 -0.57 0.00 0.00 179.45 178.52 1nqb h PRO 75 N -0.02 0.79 -0.21 3.15 0.11 -1.97 -1.90 132.00 131.94 1nqb h PRO 75 Ca 0.05 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1nqb h PRO 75 Cb 0.10 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1nqb h PRO 75 CO -0.12 0.52 0.00 -1.13 -0.21 0.00 0.00 178.00 177.07 1nqb n SER 76 N -4.74 2.54 -3.72 -2.05 3.41 -1.20 -4.96 113.62 102.89 1nqb n SER 76 Ca 0.18 -1.84 -0.24 0.00 -0.26 0.00 0.00 58.87 56.72 1nqb n SER 76 Cb 0.41 -0.13 0.04 0.00 -0.26 0.00 0.00 64.21 64.27 1nqb n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1nqb n SER 77 N 0.91 -2.73 -4.16 4.04 7.64 -0.72 -4.77 113.62 113.83 1nqb n SER 77 Ca 0.17 -0.76 -0.27 0.00 1.01 0.00 0.00 58.87 59.02 1nqb n SER 77 Cb 0.48 -4.22 -0.16 0.00 -1.01 0.00 0.00 64.21 59.30 1nqb n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1nqb s THR 78 N -3.50 1.53 0.01 0.44 2.01 -1.04 -1.47 115.64 113.61 1nqb s THR 78 Ca 0.24 -0.78 -0.00 0.00 0.31 0.00 0.00 61.69 61.45 1nqb s THR 78 Cb -0.12 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 1nqb s THR 78 CO 0.80 0.44 0.09 0.00 -0.69 0.00 0.00 174.62 175.26 1nqb s ALA 79 N -0.10 3.61 0.09 7.40 0.00 -0.61 -0.82 121.76 131.34 1nqb s ALA 79 Ca -0.01 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.12 1nqb s ALA 79 Cb -0.11 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 1nqb s ALA 79 CO 0.02 0.71 -0.14 0.71 0.00 0.00 0.00 175.76 177.05 1nqb s TYR 80 N -1.24 1.31 -0.11 0.00 2.02 0.55 -0.97 117.35 118.91 1nqb s TYR 80 Ca 0.24 -0.50 -0.03 0.00 -0.37 0.00 0.00 57.07 56.41 1nqb s TYR 80 Cb -0.12 -0.71 0.04 0.00 -0.40 0.00 0.00 41.96 40.77 1nqb s TYR 80 CO 0.16 0.09 0.06 1.41 -1.57 0.00 0.00 175.55 175.70 1nqb s MET 81 N -2.15 0.15 -0.22 -0.62 -2.45 -0.59 -2.17 119.30 111.25 1nqb s MET 81 Ca 0.03 0.08 -0.14 0.00 -1.25 0.00 0.00 55.69 54.41 1nqb s MET 81 Cb -0.08 -1.26 -0.04 0.00 1.25 0.00 0.00 34.83 34.70 1nqb s MET 81 CO 0.03 -0.49 0.30 -1.14 1.05 0.00 0.00 175.02 174.77 1nqb s GLN 82 N 2.10 4.12 -0.09 4.11 2.00 -0.48 -1.39 119.66 130.03 1nqb s GLN 82 Ca 0.03 0.00 0.01 0.00 -2.00 0.00 0.00 55.36 53.41 1nqb s GLN 82 Cb -0.14 -3.54 -0.02 0.00 0.80 0.00 0.00 33.01 30.10 1nqb s GLN 82 CO -0.06 -0.01 -0.12 -0.51 -0.50 0.00 0.00 175.29 174.09 1nqb s LEU 83 N 1.25 2.86 0.24 3.68 1.43 -0.24 -1.85 118.68 126.06 1nqb s LEU 83 Ca 0.14 -0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.12 1nqb s LEU 83 Cb -0.14 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 1nqb s LEU 83 CO 0.07 0.28 -0.09 -0.94 0.23 0.00 0.00 176.35 175.89 1nqb s SER 84 N -0.33 2.62 -1.43 2.29 1.04 -1.03 -1.11 113.70 115.76 1nqb s SER 84 Ca 0.04 -1.12 -0.06 0.00 0.48 0.00 0.00 55.95 55.29 1nqb s SER 84 Cb -0.13 -0.14 0.01 0.00 0.10 0.00 0.00 66.02 65.86 1nqb s SER 84 CO 0.02 -0.28 0.29 -1.20 0.98 0.00 0.00 173.24 173.06 1nqb n SER 85 N -0.48 -0.56 -4.77 7.02 7.64 -1.05 -4.86 113.62 116.56 1nqb n SER 85 Ca -0.06 -1.16 -0.40 0.00 1.01 0.00 0.00 58.87 58.25 1nqb n SER 85 Cb 0.62 -2.27 0.02 0.00 -1.01 0.00 0.00 64.21 61.56 1nqb n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1nqb s LEU 86 N -7.18 4.11 0.40 -3.43 1.43 -0.72 -4.69 118.68 108.62 1nqb s LEU 86 Ca 0.09 2.93 0.04 0.00 -1.03 0.00 0.00 54.13 56.16 1nqb s LEU 86 Cb -0.05 -3.93 -0.03 0.00 0.03 0.00 0.00 46.19 42.22 1nqb s LEU 86 CO 0.95 -1.18 0.11 0.42 0.23 0.00 0.00 176.35 176.88 1nqb s THR 87 N -1.20 0.70 0.39 5.49 -4.23 -1.26 -1.44 115.64 114.09 1nqb s THR 87 Ca 0.61 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.19 1nqb s THR 87 Cb -0.44 -2.39 0.29 0.00 1.34 0.00 0.00 72.50 71.30 1nqb s THR 87 CO 0.57 0.00 2.00 0.77 -0.54 0.00 0.00 174.62 177.42 1nqb h SER 88 N 1.80 0.55 0.11 3.99 4.64 -1.91 -0.35 113.55 122.38 1nqb h SER 88 Ca -0.36 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1nqb h SER 88 Cb 1.27 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1nqb h SER 88 CO 0.59 0.37 0.00 1.21 -0.87 0.00 0.00 176.83 178.13 1nqb n GLU 89 N -4.47 0.40 0.00 4.77 2.13 -1.26 -2.22 120.64 119.99 1nqb n GLU 89 Ca 0.07 0.05 0.11 0.00 0.66 0.00 0.00 57.16 58.06 1nqb n GLU 89 Cb 0.17 -1.50 0.04 0.00 0.27 0.00 0.00 31.44 30.42 1nqb n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1nqb n ASP 90 N -1.11 1.24 -4.70 4.31 8.00 -0.14 -4.91 116.55 119.23 1nqb n ASP 90 Ca 0.10 -1.02 -0.42 0.00 0.71 0.00 0.00 54.79 54.16 1nqb n ASP 90 Cb 0.08 0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 41.76 1nqb n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1nqb s SER 91 N -2.78 6.70 0.00 -2.24 0.01 -0.94 -4.91 113.70 109.54 1nqb s SER 91 Ca 0.14 2.40 0.00 0.00 1.31 0.00 0.00 55.95 59.80 1nqb s SER 91 Cb 0.17 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1nqb s SER 91 CO 0.71 -0.79 0.00 0.00 0.41 0.00 0.00 173.24 173.57 1nqb n ALA 92 N 4.89 0.00 -2.87 1.44 0.00 -0.65 -4.48 120.51 118.84 1nqb n ALA 92 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.23 1nqb n ALA 92 Cb 0.41 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.75 1nqb n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nqb s VAL 93 N -2.00 4.63 -0.14 0.00 1.01 -0.15 -0.97 120.40 122.77 1nqb s VAL 93 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 1nqb s VAL 93 Cb 0.00 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1nqb s VAL 93 CO 0.00 0.42 -0.03 -0.31 0.00 0.00 0.00 175.10 175.18 1nqb s TYR 94 N 0.74 3.04 0.17 5.22 2.02 -0.28 -1.16 117.35 127.10 1nqb s TYR 94 Ca 0.03 -0.20 0.11 0.00 -0.37 0.00 0.00 57.07 56.64 1nqb s TYR 94 Cb -0.13 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.46 1nqb s TYR 94 CO 0.02 0.06 -0.23 0.71 -1.57 0.00 0.00 175.55 174.53 1nqb s TYR 95 N 0.12 2.34 0.06 2.71 2.02 -0.22 -1.16 117.35 123.22 1nqb s TYR 95 Ca -0.01 -0.35 0.07 0.00 -0.37 0.00 0.00 57.07 56.41 1nqb s TYR 95 Cb -0.14 -1.20 -0.04 0.00 -0.40 0.00 0.00 41.96 40.19 1nqb s TYR 95 CO 0.03 0.45 -0.13 0.00 -1.57 0.00 0.00 175.55 174.32 1nqb s ALA 97 N -1.06 -0.69 -0.03 0.00 0.00 0.00 -1.60 121.76 118.39 1nqb s ALA 97 Ca 0.18 0.77 -0.23 0.00 0.00 0.00 0.00 51.96 52.67 1nqb s ALA 97 Cb -0.11 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 1nqb s ALA 97 CO 0.09 -0.14 0.70 0.50 0.00 0.00 0.00 175.76 176.91 1nqb s ARG 98 N 0.09 4.43 0.65 0.00 3.52 -0.37 -0.73 118.95 126.55 1nqb s ARG 98 Ca -0.01 0.91 -0.13 0.00 -0.13 0.00 0.00 55.73 56.37 1nqb s ARG 98 Cb -0.02 -3.41 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 1nqb s ARG 98 CO 0.00 0.18 1.05 -0.47 -0.81 0.00 0.00 175.30 175.25 1nqb s TYR 99 N 0.39 3.14 0.55 5.12 5.04 -0.82 -1.19 117.35 129.57 1nqb s TYR 99 Ca 0.37 1.44 -0.19 0.00 -2.44 0.00 0.00 57.07 56.24 1nqb s TYR 99 Cb -0.19 -2.90 -0.06 0.00 0.35 0.00 0.00 41.96 39.17 1nqb s TYR 99 CO 0.19 -1.11 1.14 0.34 -1.34 0.00 0.00 175.55 174.78 1nqb s ASP 100 N -3.49 5.68 0.37 4.32 2.15 -1.05 -4.66 116.67 119.98 1nqb s ASP 100 Ca 0.59 2.20 0.08 0.00 0.43 0.00 0.00 52.55 55.85 1nqb s ASP 100 Cb -0.14 -2.58 0.80 0.00 -0.30 0.00 0.00 42.92 40.69 1nqb s ASP 100 CO 0.48 -1.25 1.95 0.22 -0.17 0.00 0.00 175.17 176.40 1nqb h TYR 101 N 1.18 0.73 -0.44 -5.34 3.20 -1.91 -1.73 116.97 112.66 1nqb h TYR 101 Ca -0.50 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.39 1nqb h TYR 101 Cb 1.27 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.30 1nqb h TYR 101 CO 0.51 0.36 0.00 0.66 -1.64 0.00 0.00 178.16 178.05 1nqb n TYR 102 N -4.49 0.67 -1.76 -3.82 4.01 -1.26 -4.98 117.16 105.54 1nqb n TYR 102 Ca 0.12 -0.54 -0.14 0.00 -0.16 0.00 0.00 57.90 57.18 1nqb n TYR 102 Cb 0.29 -0.06 -0.04 0.00 -0.31 0.00 0.00 39.34 39.22 1nqb n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nqb n GLY 103 N 0.70 0.80 0.13 2.72 0.00 -0.65 -4.90 105.19 103.99 1nqb n GLY 103 Ca 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 1nqb n GLY 103 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1nqb h SER 104 N 0.00 0.00 -5.24 1.61 0.02 -1.94 -3.46 113.55 104.54 1nqb h SER 104 Ca -0.31 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.52 1nqb h SER 104 Cb 1.06 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.45 1nqb h SER 104 CO 0.42 0.63 -0.63 -0.94 -1.14 0.00 0.00 176.83 175.17 1nqb s SER 105 N -6.84 0.42 -0.14 3.07 1.04 -1.26 -5.08 113.70 104.91 1nqb s SER 105 Ca -0.01 -0.96 -0.10 0.00 0.48 0.00 0.00 55.95 55.36 1nqb s SER 105 Cb 0.13 0.23 -0.05 0.00 0.10 0.00 0.00 66.02 66.42 1nqb s SER 105 CO 0.76 -0.63 -0.07 1.88 0.98 0.00 0.00 173.24 176.16 1nqb h TYR 106 N 3.06 0.00 -3.22 5.02 -1.99 -1.92 -2.78 116.97 115.15 1nqb h TYR 106 Ca -0.34 0.00 -0.66 0.00 2.00 0.00 0.00 58.73 59.73 1nqb h TYR 106 Cb 1.15 0.00 -0.39 0.00 2.00 0.00 0.00 36.73 39.49 1nqb h TYR 106 CO 0.51 0.23 -0.40 -0.06 -0.00 0.00 0.00 178.16 178.44 1nqb s PHE 107 N -2.14 3.64 0.12 4.88 0.08 -1.26 -3.65 117.98 119.65 1nqb s PHE 107 Ca -0.14 -3.18 -0.11 0.00 0.12 0.00 0.00 56.93 53.62 1nqb s PHE 107 Cb 0.02 -2.94 -0.11 0.00 -0.57 0.00 0.00 43.02 39.43 1nqb s PHE 107 CO 0.24 -0.65 1.36 -0.44 -0.10 0.00 0.00 175.22 175.63 1nqb h ASP 108 N 5.81 0.92 -3.85 1.36 5.19 -1.46 -3.45 116.42 120.94 1nqb h ASP 108 Ca 0.12 -0.56 -0.37 0.00 -0.62 0.00 0.00 57.03 55.60 1nqb h ASP 108 Cb 0.80 -0.27 -0.30 0.00 0.18 0.00 0.00 39.33 39.74 1nqb h ASP 108 CO 0.76 1.35 -0.77 -0.31 -3.12 0.00 0.00 179.24 177.16 1nqb s TYR 109 N -3.88 0.67 0.09 4.55 2.02 -1.24 -4.99 117.35 114.57 1nqb s TYR 109 Ca -0.10 -0.14 0.09 0.00 -0.37 0.00 0.00 57.07 56.55 1nqb s TYR 109 Cb 0.09 -0.47 -0.04 0.00 -0.40 0.00 0.00 41.96 41.14 1nqb s TYR 109 CO 0.89 -0.05 -0.20 -1.58 -1.57 0.00 0.00 175.55 173.04 1nqb s TRP 110 N 0.08 2.49 0.91 2.71 0.52 -1.26 -1.24 118.94 123.15 1nqb s TRP 110 Ca -0.01 -0.29 -0.14 0.00 0.02 0.00 0.00 56.10 55.68 1nqb s TRP 110 Cb -0.06 -1.37 0.15 0.00 -1.15 0.00 0.00 33.47 31.05 1nqb s TRP 110 CO -0.00 0.32 1.25 0.20 0.02 0.00 0.00 176.95 178.74 1nqb s GLY 111 N -1.85 1.69 0.07 0.98 0.00 -0.63 -4.62 107.32 102.95 1nqb s GLY 111 Ca 0.16 -0.93 0.27 0.00 0.00 0.00 0.00 44.72 44.22 1nqb s GLY 111 CO 0.07 -0.28 1.86 0.61 0.00 0.00 0.00 173.10 175.36 1nqb n GLN 112 N -3.63 0.08 0.00 2.90 0.00 -1.24 -4.83 117.38 110.67 1nqb n GLN 112 Ca 0.12 0.09 0.00 0.00 0.00 0.00 0.00 57.00 57.20 1nqb n GLN 112 Cb 0.60 -1.60 0.00 0.00 0.00 0.00 0.00 30.24 29.24 1nqb n GLN 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1nqb n GLY 113 N 1.33 0.55 2.94 2.61 0.00 -1.26 -5.03 105.19 106.33 1nqb n GLY 113 Ca 0.06 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.18 1nqb n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nqb s THR 114 N -2.76 1.16 -0.09 2.61 2.01 -0.31 -4.86 115.64 113.40 1nqb s THR 114 Ca 0.00 -0.38 -0.25 0.00 0.31 0.00 0.00 61.69 61.36 1nqb s THR 114 Cb 0.00 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 1nqb s THR 114 CO 0.00 0.39 0.81 -0.89 -0.69 0.00 0.00 174.62 174.24 1nqb s THR 115 N 1.54 4.95 -0.18 -0.82 2.01 -1.26 -1.12 115.64 120.75 1nqb s THR 115 Ca 0.03 1.64 0.01 0.00 0.31 0.00 0.00 61.69 63.68 1nqb s THR 115 Cb -0.13 -4.14 0.02 0.00 0.01 0.00 0.00 72.50 68.26 1nqb s THR 115 CO -0.07 0.15 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.12 1nqb s VAL 116 N 1.36 2.03 -0.19 3.82 1.01 -0.15 -1.17 120.40 127.11 1nqb s VAL 116 Ca 0.41 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1nqb s VAL 116 Cb -0.18 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.38 1nqb s VAL 116 CO 0.18 0.54 -0.14 -0.89 0.00 0.00 0.00 175.10 174.78 1nqb s THR 117 N 1.28 2.53 -0.21 3.92 2.01 -0.07 -1.64 115.64 123.46 1nqb s THR 117 Ca 0.04 -0.78 -0.14 0.00 0.31 0.00 0.00 61.69 61.12 1nqb s THR 117 Cb -0.13 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1nqb s THR 117 CO -0.12 0.50 0.33 -0.69 -0.69 0.00 0.00 174.62 173.94 1nqb s VAL 118 N 1.36 5.25 0.38 3.82 1.01 -1.25 -0.62 120.40 130.34 1nqb s VAL 118 Ca 0.05 0.56 -0.28 0.00 0.00 0.00 0.00 61.98 62.31 1nqb s VAL 118 Cb -0.13 -3.66 -0.11 0.00 0.00 0.00 0.00 36.38 32.47 1nqb s VAL 118 CO -0.10 0.29 1.49 -0.94 0.00 0.00 0.00 175.10 175.84 1nqb s SER 119 N 0.99 6.32 0.12 3.32 1.04 0.58 -4.88 113.70 121.18 1nqb s SER 119 Ca 0.16 3.05 -0.11 0.00 0.48 0.00 0.00 55.95 59.53 1nqb s SER 119 Cb -0.14 -2.67 -0.06 0.00 0.10 0.00 0.00 66.02 63.25 1nqb s SER 119 CO 0.07 -0.89 0.47 -0.44 0.98 0.00 0.00 173.24 173.42 1nqb s SER 120 N -0.16 6.70 0.63 7.02 0.01 -1.26 -4.58 113.70 122.06 1nqb s SER 120 Ca 0.53 0.90 -0.17 0.00 1.31 0.00 0.00 55.95 58.52 1nqb s SER 120 Cb -0.46 -2.22 -0.02 0.00 0.21 0.00 0.00 66.02 63.53 1nqb s SER 120 CO 0.63 0.12 1.14 -1.81 0.41 0.00 0.00 173.24 173.73 1nqb s ASP 121 N -1.84 5.17 0.03 2.44 1.01 -1.26 -4.97 116.67 117.25 1nqb s ASP 121 Ca 0.37 2.14 -0.30 0.00 0.71 0.00 0.00 52.55 55.46 1nqb s ASP 121 Cb -0.14 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.18 1nqb s ASP 121 CO 0.19 -1.59 0.98 -0.63 0.21 0.00 0.00 175.17 174.33 1nqb s ILE 122 N -2.05 4.77 -0.20 0.77 1.01 -1.26 -5.01 121.20 119.22 1nqb s ILE 122 Ca 0.71 2.05 -0.06 0.00 0.00 0.00 0.00 60.65 63.35 1nqb s ILE 122 Cb -0.24 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 37.89 1nqb s ILE 122 CO 0.37 0.19 0.03 -1.61 0.00 0.00 0.00 174.94 173.92 1nqb s GLU 123 N 0.79 3.72 -0.40 2.79 2.02 -1.26 -4.80 118.70 121.55 1nqb s GLU 123 Ca 0.51 -0.47 -0.13 0.00 0.02 0.00 0.00 54.97 54.90 1nqb s GLU 123 Cb -0.22 -3.16 0.03 0.00 0.10 0.00 0.00 34.13 30.88 1nqb s GLU 123 CO 0.28 0.05 0.27 -0.51 0.02 0.00 0.00 175.26 175.37 1nqb s LEU 124 N 0.94 5.00 -0.31 1.80 1.02 -1.26 -2.02 118.68 123.86 1nqb s LEU 124 Ca 0.02 -0.97 -0.21 0.00 0.02 0.00 0.00 54.13 52.99 1nqb s LEU 124 Cb -0.14 -2.11 -0.01 0.00 0.02 0.00 0.00 46.19 43.95 1nqb s LEU 124 CO 0.02 -0.44 0.64 0.42 0.02 0.00 0.00 176.35 177.02 1nqb s THR 125 N 1.63 4.92 -0.17 5.49 -4.23 0.30 -4.00 115.64 119.57 1nqb s THR 125 Ca 0.04 0.88 -0.04 0.00 -1.18 0.00 0.00 61.69 61.39 1nqb s THR 125 Cb -0.19 -4.01 -0.02 0.00 1.34 0.00 0.00 72.50 69.61 1nqb s THR 125 CO 0.08 -0.15 -0.03 -1.58 -0.54 0.00 0.00 174.62 172.40 1nqb s GLN 126 N 2.64 3.63 -0.02 3.99 0.74 -1.26 -1.48 119.66 127.89 1nqb s GLN 126 Ca 0.26 -0.53 0.04 0.00 0.05 0.00 0.00 55.36 55.17 1nqb s GLN 126 Cb -0.15 -2.95 -0.01 0.00 1.10 0.00 0.00 33.01 31.00 1nqb s GLN 126 CO 0.12 0.15 -0.14 0.99 -0.55 0.00 0.00 175.29 175.86 1nqb s THR 127 N 0.61 1.13 0.45 -0.34 2.01 -0.68 -4.48 115.64 114.34 1nqb s THR 127 Ca -0.02 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.43 1nqb s THR 127 Cb -0.14 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.41 1nqb s THR 127 CO 0.02 0.33 0.64 -2.16 -0.69 0.00 0.00 174.62 172.77 1nqb s PRO 128 N -0.10 2.87 0.20 4.92 0.04 -1.26 -1.33 135.00 140.35 1nqb s PRO 128 Ca 0.01 -0.82 -0.04 0.00 0.04 0.00 0.00 61.00 60.19 1nqb s PRO 128 Cb -0.08 -2.63 0.14 0.00 0.04 0.00 0.00 34.50 31.97 1nqb s PRO 128 CO 0.00 -0.34 1.55 1.25 0.04 0.00 0.00 177.00 179.50 1nqb h LEU 129 N 0.44 0.70 -8.19 -3.56 5.85 -1.78 -3.40 115.31 105.37 1nqb h LEU 129 Ca -0.44 -0.32 -0.53 0.00 0.84 0.00 0.00 57.88 57.43 1nqb h LEU 129 Cb 1.27 -0.20 -0.31 0.00 0.37 0.00 0.00 40.66 41.80 1nqb h LEU 129 CO 0.53 1.03 -0.82 -0.55 -0.34 0.00 0.00 178.44 178.29 1nqb s SER 130 N -6.86 1.91 -0.34 1.25 0.15 -1.26 -1.66 113.70 106.88 1nqb s SER 130 Ca -0.08 -0.31 -0.01 0.00 0.70 0.00 0.00 55.95 56.26 1nqb s SER 130 Cb 0.12 -0.45 0.13 0.00 -1.71 0.00 0.00 66.02 64.11 1nqb s SER 130 CO 0.84 0.15 0.19 -0.22 1.20 0.00 0.00 173.24 175.40 1nqb s LEU 131 N -0.02 0.97 0.08 3.45 2.96 -0.26 -4.92 118.68 120.92 1nqb s LEU 131 Ca -0.01 -2.03 -0.29 0.00 -0.22 0.00 0.00 54.13 51.58 1nqb s LEU 131 Cb -0.10 -0.41 -0.05 0.00 0.50 0.00 0.00 46.19 46.13 1nqb s LEU 131 CO 0.01 -0.33 0.92 -2.84 -1.32 0.00 0.00 176.35 172.78 1nqb s PRO 132 N 1.25 4.63 0.08 0.98 0.02 -1.25 -2.23 135.00 138.48 1nqb s PRO 132 Ca 0.16 1.35 -0.02 0.00 0.02 0.00 0.00 61.00 62.51 1nqb s PRO 132 Cb -0.22 -3.39 -0.03 0.00 0.02 0.00 0.00 34.50 30.88 1nqb s PRO 132 CO -0.06 0.18 0.03 0.14 -0.33 0.00 0.00 177.00 176.96 1nqb s VAL 133 N 0.16 0.18 0.06 3.83 -7.23 0.31 -4.81 120.40 112.91 1nqb s VAL 133 Ca 0.46 -1.75 -0.06 0.00 -1.81 0.00 0.00 61.98 58.81 1nqb s VAL 133 Cb -0.22 -1.64 -0.05 0.00 0.56 0.00 0.00 36.38 35.03 1nqb s VAL 133 CO 0.28 -0.81 0.32 -0.44 -0.31 0.00 0.00 175.10 174.14 1nqb s SER 134 N -2.95 6.52 0.26 4.85 0.01 -1.26 0.14 113.70 121.27 1nqb s SER 134 Ca 0.11 0.61 -0.30 0.00 1.31 0.00 0.00 55.95 57.67 1nqb s SER 134 Cb 0.07 -2.10 -0.13 0.00 0.21 0.00 0.00 66.02 64.07 1nqb s SER 134 CO -0.07 0.18 1.35 0.18 0.41 0.00 0.00 173.24 175.29 1nqb n LEU 135 N 0.75 3.06 0.00 2.44 7.99 -1.26 -1.32 117.00 128.65 1nqb n LEU 135 Ca -0.08 1.16 0.00 0.00 -0.01 0.00 0.00 56.01 57.08 1nqb n LEU 135 Cb 0.52 -1.42 0.00 0.00 -0.11 0.00 0.00 43.42 42.41 1nqb n LEU 135 CO 0.44 -0.58 0.00 0.61 -1.51 0.00 0.00 177.39 176.35 1nqb n GLY 136 N 1.80 2.83 3.76 -0.72 0.00 -0.21 -4.95 105.19 107.70 1nqb n GLY 136 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1nqb n GLY 136 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nqb s ASP 137 N -1.38 4.03 0.04 1.61 1.11 -0.43 -4.35 116.67 117.31 1nqb s ASP 137 Ca 0.00 1.48 -0.08 0.00 0.18 0.00 0.00 52.55 54.14 1nqb s ASP 137 Cb 0.00 -2.19 -0.05 0.00 1.07 0.00 0.00 42.92 41.74 1nqb s ASP 137 CO 0.00 -2.28 0.33 -1.58 1.18 0.00 0.00 175.17 172.81 1nqb s GLN 138 N -5.00 3.65 0.07 8.23 -0.44 -1.25 -0.89 119.66 124.02 1nqb s GLN 138 Ca 0.62 0.02 0.07 0.00 -2.50 0.00 0.00 55.36 53.56 1nqb s GLN 138 Cb -0.17 -3.03 -0.03 0.00 -1.64 0.00 0.00 33.01 28.14 1nqb s GLN 138 CO 0.56 0.60 -0.18 0.00 0.50 0.00 0.00 175.29 176.77 1nqb s ALA 139 N -1.36 1.57 -0.03 1.58 0.00 0.13 -4.98 121.76 118.66 1nqb s ALA 139 Ca 0.31 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.20 1nqb s ALA 139 Cb -0.13 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.77 1nqb s ALA 139 CO 0.18 0.31 -0.03 0.45 0.00 0.00 0.00 175.76 176.67 1nqb s SER 140 N -1.54 0.68 -0.03 0.00 0.15 -1.26 -0.90 113.70 110.79 1nqb s SER 140 Ca 0.04 -0.08 0.05 0.00 0.70 0.00 0.00 55.95 56.66 1nqb s SER 140 Cb -0.09 -0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 63.89 1nqb s SER 140 CO 0.03 -0.06 -0.17 -0.63 1.20 0.00 0.00 173.24 173.61 1nqb s ILE 141 N 0.84 1.40 -0.03 6.45 1.01 -0.05 -4.81 121.20 126.02 1nqb s ILE 141 Ca -0.10 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 59.83 1nqb s ILE 141 Cb -0.13 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 1nqb s ILE 141 CO -0.01 0.40 0.07 -0.55 0.00 0.00 0.00 174.94 174.85 1nqb s SER 142 N -0.08 5.62 -0.17 3.58 0.15 -0.44 -1.22 113.70 121.13 1nqb s SER 142 Ca -0.01 0.16 -0.04 0.00 0.70 0.00 0.00 55.95 56.76 1nqb s SER 142 Cb -0.10 -1.62 0.07 0.00 -1.71 0.00 0.00 66.02 62.67 1nqb s SER 142 CO 0.01 0.30 0.15 0.00 1.20 0.00 0.00 173.24 174.91 1nqb s ARG 144 N 2.24 2.23 0.17 0.00 0.52 -0.55 -1.61 118.95 121.95 1nqb s ARG 144 Ca 0.04 -0.87 0.06 0.00 -0.52 0.00 0.00 55.73 54.44 1nqb s ARG 144 Cb -0.15 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.27 1nqb s ARG 144 CO -0.10 0.44 0.08 -1.54 0.02 0.00 0.00 175.30 174.20 1nqb s SER 145 N -0.35 5.19 0.18 0.23 1.04 -0.33 -0.54 113.70 119.12 1nqb s SER 145 Ca 0.03 -0.25 0.25 0.00 0.48 0.00 0.00 55.95 56.45 1nqb s SER 145 Cb -0.12 -1.25 0.91 0.00 0.10 0.00 0.00 66.02 65.66 1nqb s SER 145 CO 0.01 0.08 1.75 -1.54 0.98 0.00 0.00 173.24 174.52 1nqb n SER 146 N -0.26 0.60 -3.78 7.02 3.41 -0.86 -4.82 113.62 114.94 1nqb n SER 146 Ca -0.09 0.59 -0.11 0.00 -0.26 0.00 0.00 58.87 59.00 1nqb n SER 146 Cb 0.55 -0.74 -0.07 0.00 -0.26 0.00 0.00 64.21 63.69 1nqb n SER 146 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1nqb s GLN 147 N -3.15 0.79 0.35 4.33 -0.21 -1.26 -4.98 119.66 115.54 1nqb s GLN 147 Ca 0.09 -0.59 -0.29 0.00 0.02 0.00 0.00 55.36 54.59 1nqb s GLN 147 Cb 0.12 0.34 -0.11 0.00 1.00 0.00 0.00 33.01 34.35 1nqb s GLN 147 CO 0.50 -0.25 1.49 0.45 -2.12 0.00 0.00 175.29 175.36 1nqb n SER 148 N 0.51 3.69 -0.73 5.90 2.88 -1.26 -4.78 113.62 119.83 1nqb n SER 148 Ca -0.18 1.21 0.10 0.00 -1.33 0.00 0.00 58.87 58.67 1nqb n SER 148 Cb 0.60 -1.60 0.30 0.00 -0.75 0.00 0.00 64.21 62.76 1nqb n SER 148 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1nqb n ILE 149 N 0.83 0.34 -2.55 2.46 2.08 -0.58 -4.89 119.36 117.04 1nqb n ILE 149 Ca 0.03 -0.47 -0.41 0.00 0.56 0.00 0.00 62.75 62.46 1nqb n ILE 149 Cb 0.38 0.49 -0.04 0.00 -0.75 0.00 0.00 39.64 39.72 1nqb n ILE 149 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1nqb s VAL 150 N -1.66 4.10 0.15 1.39 1.01 -1.26 -3.89 120.40 120.24 1nqb s VAL 150 Ca 0.33 1.70 -0.02 0.00 0.00 0.00 0.00 61.98 64.00 1nqb s VAL 150 Cb 0.18 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1nqb s VAL 150 CO 0.26 0.24 0.35 -2.28 0.00 0.00 0.00 175.10 173.67 1nqb s HIS 151 N 0.18 3.49 0.62 5.22 2.46 -0.09 -5.00 115.29 122.16 1nqb s HIS 151 Ca 0.51 0.38 0.32 0.00 0.47 0.00 0.00 55.06 56.74 1nqb s HIS 151 Cb -0.28 -1.87 1.82 0.00 -0.13 0.00 0.00 32.58 32.12 1nqb s HIS 151 CO 0.32 0.44 2.14 0.66 -2.47 0.00 0.00 174.74 175.83 1nqb h SER 152 N 2.47 0.00 0.12 9.88 4.64 -1.93 0.07 113.55 128.79 1nqb h SER 152 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1nqb h SER 152 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1nqb h SER 152 CO 0.71 0.00 -0.00 -0.46 -0.87 0.00 0.00 176.83 176.21 1nqb n ASN 153 N -3.52 0.07 0.00 4.97 0.23 -1.26 -4.91 115.26 110.84 1nqb n ASN 153 Ca -0.00 -0.84 0.00 0.00 -0.53 0.00 0.00 54.58 53.21 1nqb n ASN 153 Cb 0.27 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 1nqb n ASN 153 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nqb n GLY 154 N 1.07 3.28 3.90 4.83 0.00 0.01 -5.08 105.19 113.19 1nqb n GLY 154 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 1nqb n GLY 154 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nqb s ASN 155 N -1.00 6.24 -0.32 1.61 -0.87 -1.26 -4.78 114.94 114.55 1nqb s ASN 155 Ca 0.00 1.05 0.02 0.00 -1.57 0.00 0.00 52.86 52.35 1nqb s ASN 155 Cb 0.00 -2.29 0.10 0.00 -0.02 0.00 0.00 41.25 39.04 1nqb s ASN 155 CO 0.00 -0.67 0.07 -0.89 -2.57 0.00 0.00 177.10 173.04 1nqb s THR 156 N -2.86 1.63 -1.51 1.60 2.01 -1.26 -0.91 115.64 114.33 1nqb s THR 156 Ca 0.49 -1.88 -0.11 0.00 0.31 0.00 0.00 61.69 60.50 1nqb s THR 156 Cb -0.10 -2.20 0.00 0.00 0.01 0.00 0.00 72.50 70.21 1nqb s THR 156 CO 0.47 -0.61 2.52 -1.22 -0.69 0.00 0.00 174.62 175.09 1nqb n TYR 157 N 4.53 2.96 -3.95 4.92 4.01 -1.25 -3.90 117.16 124.48 1nqb n TYR 157 Ca 0.01 -3.00 -0.35 0.00 -0.16 0.00 0.00 57.90 54.39 1nqb n TYR 157 Cb 0.42 -2.44 -0.11 0.00 -0.31 0.00 0.00 39.34 36.90 1nqb n TYR 157 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1nqb s LEU 158 N 0.89 3.59 0.21 7.72 1.98 -1.26 -1.18 118.68 130.63 1nqb s LEU 158 Ca 0.57 -0.07 0.06 0.00 -2.89 0.00 0.00 54.13 51.80 1nqb s LEU 158 Cb 0.16 -1.93 -0.05 0.00 0.66 0.00 0.00 46.19 45.03 1nqb s LEU 158 CO -0.07 0.08 -0.10 -1.61 -1.89 0.00 0.00 176.35 172.76 1nqb s GLU 159 N 0.91 1.32 -0.06 1.98 2.02 0.01 -1.17 118.70 123.71 1nqb s GLU 159 Ca 0.03 -1.61 0.03 0.00 0.02 0.00 0.00 54.97 53.44 1nqb s GLU 159 Cb -0.14 -0.95 0.01 0.00 0.10 0.00 0.00 34.13 33.15 1nqb s GLU 159 CO 0.03 0.09 -0.13 -1.58 0.02 0.00 0.00 175.26 173.69 1nqb s TRP 160 N -3.12 1.45 0.12 1.61 0.52 -0.52 -0.76 118.94 118.24 1nqb s TRP 160 Ca 0.24 -0.51 0.09 0.00 0.02 0.00 0.00 56.10 55.93 1nqb s TRP 160 Cb 0.02 -1.05 -0.04 0.00 -1.15 0.00 0.00 33.47 31.25 1nqb s TRP 160 CO 0.07 -0.25 -0.21 0.71 0.02 0.00 0.00 176.95 177.29 1nqb s TYR 161 N 0.54 1.85 -0.10 -1.98 1.51 0.53 -1.34 117.35 118.36 1nqb s TYR 161 Ca -0.12 -0.42 0.02 0.00 -1.01 0.00 0.00 57.07 55.54 1nqb s TYR 161 Cb -0.15 -1.00 0.01 0.00 -0.11 0.00 0.00 41.96 40.72 1nqb s TYR 161 CO 0.03 0.24 -0.16 -1.17 -1.11 0.00 0.00 175.55 173.38 1nqb s LEU 162 N -2.04 1.77 -0.38 -1.29 2.96 -0.83 -0.71 118.68 118.16 1nqb s LEU 162 Ca 0.09 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 1nqb s LEU 162 Cb -0.09 -1.10 0.09 0.00 0.50 0.00 0.00 46.19 45.59 1nqb s LEU 162 CO 0.05 0.04 0.16 -1.58 -1.32 0.00 0.00 176.35 173.70 1nqb s GLN 163 N 0.84 2.25 0.51 1.98 0.74 -0.08 -1.94 119.66 123.95 1nqb s GLN 163 Ca -0.10 -1.59 -0.19 0.00 0.05 0.00 0.00 55.36 53.53 1nqb s GLN 163 Cb -0.15 -3.52 -0.07 0.00 1.10 0.00 0.00 33.01 30.37 1nqb s GLN 163 CO 0.01 -0.92 1.06 0.15 -0.55 0.00 0.00 175.29 175.03 1nqb s LYS 164 N 1.23 3.66 -0.14 1.67 1.02 -1.26 -1.97 119.74 123.94 1nqb s LYS 164 Ca 0.04 1.38 -0.37 0.00 0.02 0.00 0.00 55.97 57.04 1nqb s LYS 164 Cb -0.22 -2.07 -0.14 0.00 -0.52 0.00 0.00 37.83 34.88 1nqb s LYS 164 CO -0.02 -0.56 1.74 -2.30 -0.92 0.00 0.00 175.35 173.29 1nqb n PRO 165 N -1.17 1.58 -1.00 -1.68 -0.02 -1.26 -1.32 135.00 130.13 1nqb n PRO 165 Ca 0.10 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1nqb n PRO 165 Cb 0.52 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1nqb n PRO 165 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nqb n GLY 166 N 4.03 0.50 3.57 -1.23 0.00 -1.26 -5.03 105.19 105.78 1nqb n GLY 166 Ca 0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 1nqb n GLY 166 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nqb s GLN 167 N -0.15 1.88 0.53 1.61 -0.21 -0.43 -5.15 119.66 117.74 1nqb s GLN 167 Ca 0.00 -2.08 -0.05 0.00 0.02 0.00 0.00 55.36 53.25 1nqb s GLN 167 Cb 0.00 -1.34 -0.02 0.00 1.00 0.00 0.00 33.01 32.65 1nqb s GLN 167 CO 0.00 -0.14 0.84 -1.54 -2.12 0.00 0.00 175.29 172.33 1nqb s SER 168 N -3.65 5.98 0.85 5.90 1.04 -1.26 -4.60 113.70 117.96 1nqb s SER 168 Ca 0.33 0.84 -0.10 0.00 0.48 0.00 0.00 55.95 57.49 1nqb s SER 168 Cb 0.09 -2.01 0.11 0.00 0.10 0.00 0.00 66.02 64.30 1nqb s SER 168 CO 0.16 -0.79 1.13 -2.84 0.98 0.00 0.00 173.24 171.88 1nqb s PRO 169 N -4.85 1.56 -0.01 4.02 0.02 -1.26 -4.49 135.00 129.99 1nqb s PRO 169 Ca 0.50 1.40 -0.01 0.00 0.02 0.00 0.00 61.00 62.91 1nqb s PRO 169 Cb -0.10 -1.80 -0.00 0.00 0.02 0.00 0.00 34.50 32.61 1nqb s PRO 169 CO 0.45 -2.20 0.03 -1.59 -0.33 0.00 0.00 177.00 173.36 1nqb s LYS 170 N -4.73 0.09 0.13 5.54 -2.85 -0.82 -4.97 119.74 112.14 1nqb s LYS 170 Ca 0.65 -0.06 -0.30 0.00 -1.00 0.00 0.00 55.97 55.25 1nqb s LYS 170 Cb -0.21 0.04 -0.07 0.00 -2.06 0.00 0.00 37.83 35.53 1nqb s LYS 170 CO 0.57 -0.02 1.25 -1.17 0.10 0.00 0.00 175.35 176.09 1nqb s LEU 171 N -0.24 4.40 -0.09 2.77 2.96 -1.26 -1.97 118.68 125.25 1nqb s LEU 171 Ca -0.03 2.21 -0.06 0.00 -0.22 0.00 0.00 54.13 56.02 1nqb s LEU 171 Cb -0.02 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 1nqb s LEU 171 CO -0.00 -0.48 -0.15 0.18 -1.32 0.00 0.00 176.35 174.58 1nqb n LEU 172 N 3.27 1.03 -4.06 -0.68 4.77 -0.45 -4.74 117.00 116.15 1nqb n LEU 172 Ca 0.07 0.17 -0.22 0.00 -0.03 0.00 0.00 56.01 56.00 1nqb n LEU 172 Cb 0.44 -0.40 -0.16 0.00 -2.33 0.00 0.00 43.42 40.98 1nqb n LEU 172 CO 0.57 -0.01 -0.46 -0.63 -1.33 0.00 0.00 177.39 175.52 1nqb s ILE 173 N -2.27 1.01 0.16 -0.08 -1.09 -1.06 -1.84 121.20 116.03 1nqb s ILE 173 Ca -0.15 -0.50 0.06 0.00 -2.23 0.00 0.00 60.65 57.83 1nqb s ILE 173 Cb 0.05 -0.88 -0.04 0.00 -1.58 0.00 0.00 42.46 40.01 1nqb s ILE 173 CO 0.20 0.30 -0.13 -0.72 -1.23 0.00 0.00 174.94 173.36 1nqb s TYR 174 N 0.04 1.50 -1.38 3.97 1.13 0.08 -1.43 117.35 121.26 1nqb s TYR 174 Ca -0.01 -0.61 -0.06 0.00 -1.41 0.00 0.00 57.07 54.98 1nqb s TYR 174 Cb -0.09 -0.74 0.00 0.00 -1.10 0.00 0.00 41.96 40.03 1nqb s TYR 174 CO 0.01 0.22 0.41 1.63 -2.51 0.00 0.00 175.55 175.30 1nqb n LYS 175 N 0.01 -2.34 0.00 -3.49 5.02 -1.14 -1.45 118.16 114.77 1nqb n LYS 175 Ca -0.11 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1nqb n LYS 175 Cb 0.59 -4.14 0.00 0.00 -0.02 0.00 0.00 35.03 31.46 1nqb n LYS 175 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1nqb n VAL 176 N -4.46 0.00 -0.73 -0.18 0.31 -0.31 -3.95 118.33 109.01 1nqb n VAL 176 Ca -0.27 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1nqb n VAL 176 Cb 0.67 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.60 1nqb n VAL 176 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1nqb n SER 177 N 1.32 0.51 -4.74 4.52 3.41 -1.22 -3.65 113.62 113.77 1nqb n SER 177 Ca 0.00 -1.24 -0.37 0.00 -0.26 0.00 0.00 58.87 57.00 1nqb n SER 177 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1nqb n SER 177 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1nqb s ASN 178 N -0.24 6.64 0.14 4.04 0.01 -0.53 -4.61 114.94 120.39 1nqb s ASN 178 Ca 0.00 0.76 -0.28 0.00 -0.71 0.00 0.00 52.86 52.63 1nqb s ASN 178 Cb 0.00 -2.25 -0.07 0.00 0.41 0.00 0.00 41.25 39.34 1nqb s ASN 178 CO 0.00 0.07 0.88 -0.13 -1.51 0.00 0.00 177.10 176.41 1nqb s ARG 179 N 0.33 4.67 0.92 -0.60 3.00 -1.26 -0.74 118.95 125.26 1nqb s ARG 179 Ca 0.23 1.32 -0.15 0.00 0.00 0.00 0.00 55.73 57.13 1nqb s ARG 179 Cb -0.15 -3.33 0.17 0.00 0.00 0.00 0.00 34.95 31.65 1nqb s ARG 179 CO 0.09 0.38 1.28 0.12 0.00 0.00 0.00 175.30 177.17 1nqb s PHE 180 N -0.53 1.86 0.34 -0.53 5.36 -0.77 -4.93 117.98 118.79 1nqb s PHE 180 Ca 0.41 0.38 -0.28 0.00 -0.96 0.00 0.00 56.93 56.48 1nqb s PHE 180 Cb -0.23 -3.95 -0.10 0.00 -0.34 0.00 0.00 43.02 38.39 1nqb s PHE 180 CO 0.28 -2.44 1.31 -1.54 -1.46 0.00 0.00 175.22 171.38 1nqb s SER 181 N -4.82 6.69 0.00 6.13 1.04 -1.26 -3.06 113.70 118.41 1nqb s SER 181 Ca 0.71 2.70 0.00 0.00 0.48 0.00 0.00 55.95 59.85 1nqb s SER 181 Cb -0.05 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1nqb s SER 181 CO 0.52 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.76 1nqb n GLY 182 N 0.76 3.01 3.68 7.32 0.00 -1.26 -5.00 105.19 113.70 1nqb n GLY 182 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1nqb n GLY 182 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqb s VAL 183 N -1.25 3.10 0.63 1.61 1.01 -1.17 -4.97 120.40 119.35 1nqb s VAL 183 Ca 0.00 0.42 -0.18 0.00 0.00 0.00 0.00 61.98 62.23 1nqb s VAL 183 Cb 0.00 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1nqb s VAL 183 CO 0.00 -0.01 1.06 -2.65 0.00 0.00 0.00 175.10 173.49 1nqb n PRO 184 N 6.18 0.91 0.04 2.72 -0.02 -1.26 -4.89 135.00 138.68 1nqb n PRO 184 Ca 0.17 0.36 0.08 0.00 -2.02 0.00 0.00 63.50 62.09 1nqb n PRO 184 Cb 0.41 -2.28 0.35 0.00 -0.02 0.00 0.00 33.50 31.96 1nqb n PRO 184 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1nqb n ASP 185 N -1.22 0.21 0.17 2.55 5.68 -1.26 -2.58 116.55 120.11 1nqb n ASP 185 Ca 0.15 0.55 0.13 0.00 -0.50 0.00 0.00 54.79 55.12 1nqb n ASP 185 Cb 0.48 -0.60 0.57 0.00 -1.14 0.00 0.00 41.12 40.43 1nqb n ASP 185 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1nqb h ARG 186 N 0.00 0.00 -5.42 0.11 0.11 -1.94 -3.42 114.38 103.81 1nqb h ARG 186 Ca 0.00 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.49 1nqb h ARG 186 Cb 0.27 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 31.24 1nqb h ARG 186 CO 0.00 0.00 -0.34 -0.06 0.10 0.00 0.00 179.97 179.67 1nqb s PHE 187 N -3.45 3.43 -0.04 4.08 0.08 -1.06 -1.47 117.98 119.55 1nqb s PHE 187 Ca 0.02 0.54 -0.04 0.00 0.12 0.00 0.00 56.93 57.57 1nqb s PHE 187 Cb 0.09 -2.34 0.01 0.00 -0.57 0.00 0.00 43.02 40.21 1nqb s PHE 187 CO 0.40 0.19 0.12 -1.54 -0.10 0.00 0.00 175.22 174.29 1nqb s SER 188 N 0.59 -0.11 0.11 1.36 1.04 -0.57 -4.99 113.70 111.15 1nqb s SER 188 Ca 0.15 0.20 0.09 0.00 0.48 0.00 0.00 55.95 56.88 1nqb s SER 188 Cb -0.13 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.20 1nqb s SER 188 CO 0.04 -0.07 -0.21 -0.83 0.98 0.00 0.00 173.24 173.15 1nqb s GLY 189 N -0.07 1.64 0.28 7.32 0.00 -1.26 -0.57 107.32 114.66 1nqb s GLY 189 Ca -0.01 -1.37 -0.10 0.00 0.00 0.00 0.00 44.72 43.24 1nqb s GLY 189 CO 0.00 -1.34 0.49 -1.35 0.00 0.00 0.00 173.10 170.90 1nqb s SER 190 N -2.02 0.22 0.00 1.64 1.04 -0.48 -4.31 113.70 109.78 1nqb s SER 190 Ca 0.16 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.46 1nqb s SER 190 Cb -0.10 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1nqb s SER 190 CO 0.08 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.69 1nqb n GLY 191 N -0.44 1.53 3.51 7.32 0.00 -1.26 -1.41 105.19 114.43 1nqb n GLY 191 Ca -0.01 -2.25 -0.09 0.00 0.00 0.00 0.00 46.02 43.67 1nqb n GLY 191 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nqb s SER 192 N 0.00 -0.39 0.53 1.61 1.04 -0.58 -4.96 113.70 110.95 1nqb s SER 192 Ca 0.00 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1nqb s SER 192 Cb 0.00 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1nqb s SER 192 CO 0.00 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.10 1nqb n GLY 193 N -0.29 0.34 0.00 7.32 0.00 -1.26 -1.84 105.19 109.45 1nqb n GLY 193 Ca -0.10 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1nqb n GLY 193 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nqb n THR 194 N 0.00 0.39 -3.91 2.61 -2.24 -1.26 -1.53 114.28 108.33 1nqb n THR 194 Ca 0.00 -0.65 -0.24 0.00 -2.27 0.00 0.00 64.05 60.89 1nqb n THR 194 Cb 0.00 0.86 -0.17 0.00 -2.10 0.00 0.00 70.33 68.92 1nqb n THR 194 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nqb s ASP 195 N -0.39 1.67 0.10 3.42 1.01 -0.77 -1.19 116.67 120.52 1nqb s ASP 195 Ca 0.00 -0.17 0.02 0.00 0.71 0.00 0.00 52.55 53.11 1nqb s ASP 195 Cb 0.00 -0.58 -0.04 0.00 1.01 0.00 0.00 42.92 43.31 1nqb s ASP 195 CO 0.00 -0.14 -0.07 -0.36 0.21 0.00 0.00 175.17 174.81 1nqb s PHE 196 N 1.66 0.90 -0.05 4.23 0.40 -0.63 -1.52 117.98 122.96 1nqb s PHE 196 Ca 0.01 -0.88 -0.05 0.00 -0.60 0.00 0.00 56.93 55.42 1nqb s PHE 196 Cb -0.13 -0.52 0.01 0.00 0.51 0.00 0.00 43.02 42.90 1nqb s PHE 196 CO -0.05 -0.13 0.14 0.99 0.70 0.00 0.00 175.22 176.86 1nqb s THR 197 N -3.44 0.01 -0.11 0.64 2.01 -0.50 -1.80 115.64 112.45 1nqb s THR 197 Ca 0.10 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.05 1nqb s THR 197 Cb 0.04 -0.22 -0.02 0.00 0.01 0.00 0.00 72.50 72.31 1nqb s THR 197 CO -0.04 -0.04 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.48 1nqb s LEU 198 N -0.07 2.62 -0.02 4.42 2.96 -0.36 -1.39 118.68 126.84 1nqb s LEU 198 Ca -0.01 -0.33 0.06 0.00 -0.22 0.00 0.00 54.13 53.62 1nqb s LEU 198 Cb -0.02 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 1nqb s LEU 198 CO 0.00 0.21 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.49 1nqb s LYS 199 N 0.09 1.76 -0.25 1.98 1.02 0.26 -0.87 119.74 123.73 1nqb s LYS 199 Ca -0.07 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.21 1nqb s LYS 199 Cb -0.15 -1.66 0.05 0.00 -0.52 0.00 0.00 37.83 35.56 1nqb s LYS 199 CO 0.05 0.42 -0.11 0.42 -0.92 0.00 0.00 175.35 175.20 1nqb s ILE 200 N -0.40 2.07 0.21 2.17 1.01 -0.08 -1.50 121.20 124.68 1nqb s ILE 200 Ca 0.06 -1.49 -0.09 0.00 0.00 0.00 0.00 60.65 59.13 1nqb s ILE 200 Cb -0.09 -2.16 0.17 0.00 0.01 0.00 0.00 42.46 40.39 1nqb s ILE 200 CO -0.00 0.04 1.85 0.77 0.00 0.00 0.00 174.94 177.60 1nqb h SER 201 N 7.82 0.97 -2.07 3.58 4.64 -1.54 0.39 113.55 127.33 1nqb h SER 201 Ca -0.22 -0.07 -0.33 0.00 -0.47 0.00 0.00 61.79 60.69 1nqb h SER 201 Cb 1.06 -0.24 -0.32 0.00 -0.31 0.00 0.00 62.40 62.58 1nqb h SER 201 CO 0.48 0.76 -0.65 -0.60 -0.87 0.00 0.00 176.83 175.95 1nqb s ARG 202 N -5.95 0.41 0.18 4.77 3.52 -1.25 -3.96 118.95 116.67 1nqb s ARG 202 Ca -0.13 -0.33 -0.32 0.00 -0.13 0.00 0.00 55.73 54.82 1nqb s ARG 202 Cb 0.15 -0.66 -0.12 0.00 -1.56 0.00 0.00 34.95 32.77 1nqb s ARG 202 CO 0.80 -1.08 1.71 0.28 -0.81 0.00 0.00 175.30 176.21 1nqb n VAL 203 N 5.02 0.06 -4.50 7.11 0.31 -0.07 -4.73 118.33 121.54 1nqb n VAL 203 Ca 0.02 -0.01 -0.25 0.00 -0.01 0.00 0.00 64.34 64.09 1nqb n VAL 203 Cb 0.46 -1.91 -0.10 0.00 -0.91 0.00 0.00 33.84 31.38 1nqb n VAL 203 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1nqb s GLU 204 N 1.39 1.73 0.28 5.55 2.02 -1.26 -1.04 118.70 127.37 1nqb s GLU 204 Ca 0.77 -1.83 0.01 0.00 0.02 0.00 0.00 54.97 53.94 1nqb s GLU 204 Cb -0.54 -1.74 0.60 0.00 0.10 0.00 0.00 34.13 32.55 1nqb s GLU 204 CO 0.34 0.26 1.76 0.00 0.02 0.00 0.00 175.26 177.65 1nqb h ALA 205 N 2.18 1.40 0.00 5.21 0.00 -2.00 0.41 119.26 126.46 1nqb h ALA 205 Ca -0.41 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1nqb h ALA 205 Cb 1.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1nqb h ALA 205 CO 0.64 -0.09 0.00 -1.91 0.00 0.00 0.00 179.25 177.89 1nqb n GLU 206 N -4.85 0.15 0.10 0.00 2.13 -1.26 -2.42 120.64 114.49 1nqb n GLU 206 Ca 0.19 0.49 0.13 0.00 0.66 0.00 0.00 57.16 58.62 1nqb n GLU 206 Cb 0.49 -1.85 0.32 0.00 0.27 0.00 0.00 31.44 30.66 1nqb n GLU 206 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1nqb h ASP 207 N 0.00 0.00 -3.92 4.31 3.32 -1.32 -3.47 116.42 115.34 1nqb h ASP 207 Ca 0.00 -0.06 -0.53 0.00 0.02 0.00 0.00 57.03 56.47 1nqb h ASP 207 Cb 0.22 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.85 1nqb h ASP 207 CO 0.00 0.03 0.65 -0.76 -1.72 0.00 0.00 179.24 177.44 1nqb s LEU 208 N -4.59 4.33 0.00 1.55 1.43 -1.02 -4.90 118.68 115.48 1nqb s LEU 208 Ca 0.09 2.74 0.00 0.00 -1.03 0.00 0.00 54.13 55.93 1nqb s LEU 208 Cb 0.12 -3.75 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1nqb s LEU 208 CO 0.64 -0.71 0.00 0.61 0.23 0.00 0.00 176.35 177.12 1nqb n GLY 209 N 0.69 0.31 3.38 -3.19 0.00 -1.05 -4.54 105.19 100.80 1nqb n GLY 209 Ca 0.02 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.20 1nqb n GLY 209 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqb s VAL 210 N -3.20 3.68 -0.01 1.61 1.01 -0.83 -0.56 120.40 122.09 1nqb s VAL 210 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 1nqb s VAL 210 Cb 0.00 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 1nqb s VAL 210 CO 0.00 0.42 0.34 -0.31 0.00 0.00 0.00 175.10 175.55 1nqb s TYR 211 N 1.24 3.67 -0.03 5.22 1.51 -0.12 -0.90 117.35 127.94 1nqb s TYR 211 Ca 0.03 0.83 0.02 0.00 -1.01 0.00 0.00 57.07 56.95 1nqb s TYR 211 Cb -0.14 -2.17 0.01 0.00 -0.11 0.00 0.00 41.96 39.54 1nqb s TYR 211 CO 0.00 0.65 -0.07 0.71 -1.11 0.00 0.00 175.55 175.72 1nqb s TYR 212 N -1.13 0.82 0.27 2.71 2.02 0.11 -1.57 117.35 120.59 1nqb s TYR 212 Ca 0.23 -0.20 -0.02 0.00 -0.37 0.00 0.00 57.07 56.71 1nqb s TYR 212 Cb -0.15 -0.61 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 1nqb s TYR 212 CO 0.12 -0.11 0.48 0.00 -1.57 0.00 0.00 175.55 174.48 1nqb s PHE 214 N -2.06 -0.29 -0.14 0.00 5.36 0.06 -1.26 117.98 119.65 1nqb s PHE 214 Ca 0.40 0.64 0.02 0.00 -0.96 0.00 0.00 56.93 57.04 1nqb s PHE 214 Cb -0.10 0.11 0.01 0.00 -0.34 0.00 0.00 43.02 42.69 1nqb s PHE 214 CO 0.31 -0.25 -0.22 1.14 -1.46 0.00 0.00 175.22 174.75 1nqb s GLN 215 N -0.38 3.04 -0.29 10.12 1.03 -0.54 -0.81 119.66 131.82 1nqb s GLN 215 Ca -0.05 -0.85 0.08 0.00 0.04 0.00 0.00 55.36 54.58 1nqb s GLN 215 Cb -0.03 -2.44 0.48 0.00 0.03 0.00 0.00 33.01 31.05 1nqb s GLN 215 CO 0.02 0.00 1.40 0.41 -2.54 0.00 0.00 175.29 174.58 1nqb n GLY 216 N 4.03 5.22 0.11 2.60 0.00 -0.33 -2.99 105.19 113.83 1nqb n GLY 216 Ca -0.20 -1.50 -0.14 0.00 0.00 0.00 0.00 46.02 44.18 1nqb n GLY 216 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nqb n SER 217 N -1.06 1.13 -3.85 1.61 7.64 -1.26 -4.87 113.62 112.96 1nqb n SER 217 Ca 0.33 0.10 -0.20 0.00 1.01 0.00 0.00 58.87 60.11 1nqb n SER 217 Cb 0.93 0.02 -0.17 0.00 -1.01 0.00 0.00 64.21 63.99 1nqb n SER 217 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1nqb s HIS 218 N -2.54 0.67 0.32 1.43 3.76 -1.26 -4.89 115.29 112.79 1nqb s HIS 218 Ca -0.18 -0.17 -0.28 0.00 -0.15 0.00 0.00 55.06 54.28 1nqb s HIS 218 Cb 0.07 -0.68 -0.10 0.00 1.11 0.00 0.00 32.58 32.99 1nqb s HIS 218 CO 0.76 -0.23 1.20 0.14 -0.85 0.00 0.00 174.74 175.76 1nqb s VAL 219 N 1.26 3.09 0.30 -0.90 -7.23 -1.26 -3.64 120.40 112.01 1nqb s VAL 219 Ca -0.06 1.06 -0.27 0.00 -1.81 0.00 0.00 61.98 60.90 1nqb s VAL 219 Cb -0.14 -3.66 -0.10 0.00 0.56 0.00 0.00 36.38 33.05 1nqb s VAL 219 CO -0.02 0.23 0.95 -2.16 -0.31 0.00 0.00 175.10 173.79 1nqb s PRO 220 N -1.75 4.65 0.32 4.82 0.04 -1.26 -4.94 135.00 136.88 1nqb s PRO 220 Ca 0.49 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.64 1nqb s PRO 220 Cb -0.35 -2.95 -0.10 0.00 0.04 0.00 0.00 34.50 31.14 1nqb s PRO 220 CO 0.46 0.33 1.26 0.71 0.04 0.00 0.00 177.00 179.79 1nqb s TYR 221 N -1.47 3.18 0.10 0.56 2.02 -1.24 -4.69 117.35 115.82 1nqb s TYR 221 Ca 0.47 1.48 0.03 0.00 -0.37 0.00 0.00 57.07 58.69 1nqb s TYR 221 Cb -0.22 -3.58 -0.04 0.00 -0.40 0.00 0.00 41.96 37.73 1nqb s TYR 221 CO 0.27 -1.53 -0.09 0.95 -1.57 0.00 0.00 175.55 173.58 1nqb s THR 222 N -1.12 0.91 0.21 -0.71 -4.23 -1.16 -5.01 115.64 104.54 1nqb s THR 222 Ca 0.48 -1.72 0.08 0.00 -1.18 0.00 0.00 61.69 59.34 1nqb s THR 222 Cb -0.38 -1.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 1nqb s THR 222 CO 0.50 -0.63 0.02 -0.36 -0.54 0.00 0.00 174.62 173.61 1nqb s PHE 223 N -2.72 2.83 0.77 3.99 0.40 -1.26 -1.47 117.98 120.51 1nqb s PHE 223 Ca 0.07 -0.16 -0.11 0.00 -0.60 0.00 0.00 56.93 56.13 1nqb s PHE 223 Cb -0.01 -1.32 0.06 0.00 0.51 0.00 0.00 43.02 42.26 1nqb s PHE 223 CO -0.01 0.55 1.13 0.20 0.70 0.00 0.00 175.22 177.80 1nqb s GLY 224 N -3.30 1.61 0.53 4.36 0.00 -0.39 -4.58 107.32 105.55 1nqb s GLY 224 Ca 0.29 -0.63 0.34 0.00 0.00 0.00 0.00 44.72 44.73 1nqb s GLY 224 CO 0.20 -0.18 2.03 -1.33 0.00 0.00 0.00 173.10 173.81 1nqb h GLY 225 N -0.88 0.00 0.00 0.20 0.00 -1.89 -3.44 103.07 97.06 1nqb h GLY 225 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1nqb h GLY 225 CO 0.65 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.80 1nqb n GLY 226 N -0.33 2.48 2.70 4.60 0.00 -1.26 -5.06 105.19 108.30 1nqb n GLY 226 Ca -0.00 -1.79 -0.23 0.00 0.00 0.00 0.00 46.02 44.00 1nqb n GLY 226 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nqb s THR 227 N -2.27 0.09 -0.43 2.61 2.01 -0.61 -4.48 115.64 112.56 1nqb s THR 227 Ca 0.00 0.15 -0.22 0.00 0.31 0.00 0.00 61.69 61.93 1nqb s THR 227 Cb 0.00 -0.42 0.02 0.00 0.01 0.00 0.00 72.50 72.12 1nqb s THR 227 CO 0.00 0.09 0.70 -0.75 -0.69 0.00 0.00 174.62 173.96 1nqb s LYS 228 N 2.08 3.36 -0.30 4.92 2.20 -0.67 -0.94 119.74 130.40 1nqb s LYS 228 Ca 0.04 -0.23 -0.21 0.00 -0.36 0.00 0.00 55.97 55.21 1nqb s LYS 228 Cb -0.13 -3.93 -0.01 0.00 -1.51 0.00 0.00 37.83 32.25 1nqb s LYS 228 CO -0.05 -1.02 0.66 -1.17 -0.36 0.00 0.00 175.35 173.40 1nqb s LEU 229 N 2.98 4.12 0.06 5.43 2.96 0.27 -1.10 118.68 133.41 1nqb s LEU 229 Ca 0.25 0.52 0.01 0.00 -0.22 0.00 0.00 54.13 54.69 1nqb s LEU 229 Cb -0.13 -2.87 -0.04 0.00 0.50 0.00 0.00 46.19 43.65 1nqb s LEU 229 CO 0.20 -0.48 -0.05 -1.83 -1.32 0.00 0.00 176.35 172.87 1nqb s GLU 230 N 2.65 0.66 0.29 1.98 -1.05 -0.94 -2.53 118.70 119.75 1nqb s GLU 230 Ca 0.27 -1.15 -0.13 0.00 -0.15 0.00 0.00 54.97 53.80 1nqb s GLU 230 Cb -0.15 -0.02 -0.08 0.00 -0.44 0.00 0.00 34.13 33.44 1nqb s GLU 230 CO 0.11 -0.05 0.67 0.96 0.95 0.00 0.00 175.26 177.90 1nqb s ILE 231 N -3.27 4.76 -1.22 1.83 -4.36 -1.26 -0.53 121.20 117.16 1nqb s ILE 231 Ca 0.05 0.80 -0.13 0.00 -0.26 0.00 0.00 60.65 61.10 1nqb s ILE 231 Cb 0.03 -3.62 0.17 0.00 1.25 0.00 0.00 42.46 40.30 1nqb s ILE 231 CO -0.06 -0.13 1.49 0.29 0.24 0.00 0.00 174.94 176.77 1nqb n LYS 232 N -0.25 3.41 0.00 0.37 5.02 0.12 -4.69 118.16 122.15 1nqb n LYS 232 Ca 0.02 -3.83 0.02 0.00 -2.02 0.00 0.00 58.31 52.50 1nqb n LYS 232 Cb 0.53 -3.01 0.13 0.00 -0.02 0.00 0.00 35.03 32.66 1nqb n LYS 232 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75