#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nrq s VAL 17 N 0.00 2.42 -0.32 1.39 1.01 0.45 -3.60 120.40 121.76 1nrq s VAL 17 Ca 0.00 0.36 -0.23 0.00 0.00 0.00 0.00 61.98 62.10 1nrq s VAL 17 Cb 0.00 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 33.19 1nrq s VAL 17 CO 0.00 0.06 0.44 -0.62 0.00 0.00 0.00 175.10 174.97 1nrq n GLU 18 N 2.20 -1.65 -1.78 2.72 -0.58 -1.26 -1.57 120.64 118.73 1nrq n GLU 18 Ca 0.07 1.43 0.00 0.00 -0.42 0.00 0.00 57.16 58.24 1nrq n GLU 18 Cb 0.39 -2.43 0.00 0.00 -0.57 0.00 0.00 31.44 28.83 1nrq n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nrq n GLY 19 N 0.26 4.10 3.09 0.62 0.00 -1.24 -4.27 105.19 107.75 1nrq n GLY 19 Ca -0.03 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.28 1nrq n GLY 19 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nrq s SER 20 N -0.79 0.28 0.01 1.61 0.15 -1.07 -4.99 113.70 108.90 1nrq s SER 20 Ca 0.00 -0.68 -0.30 0.00 0.70 0.00 0.00 55.95 55.66 1nrq s SER 20 Cb 0.00 0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.48 1nrq s SER 20 CO 0.00 -0.52 1.08 -1.81 1.20 0.00 0.00 173.24 173.19 1nrq s ASP 21 N -2.32 7.23 1.24 5.45 1.11 -1.26 -1.73 116.67 126.39 1nrq s ASP 21 Ca -0.02 1.80 -0.15 0.00 0.18 0.00 0.00 52.55 54.35 1nrq s ASP 21 Cb 0.01 -2.57 0.31 0.00 1.07 0.00 0.00 42.92 41.73 1nrq s ASP 21 CO -0.06 -0.37 0.92 0.00 1.18 0.00 0.00 175.17 176.84 1nrq n ALA 22 N 4.06 -3.50 -2.54 5.23 0.00 -0.97 -4.93 120.51 117.85 1nrq n ALA 22 Ca 0.08 -1.37 -0.22 0.00 0.00 0.00 0.00 53.44 51.93 1nrq n ALA 22 Cb 0.49 -1.89 -0.12 0.00 0.00 0.00 0.00 19.45 17.93 1nrq n ALA 22 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nrq s GLU 23 N -4.42 1.09 -0.45 0.00 2.02 -1.26 -4.92 118.70 110.75 1nrq s GLU 23 Ca 0.68 -1.19 -0.29 0.00 0.02 0.00 0.00 54.97 54.19 1nrq s GLU 23 Cb -0.23 -1.21 -0.10 0.00 0.10 0.00 0.00 34.13 32.70 1nrq s GLU 23 CO 0.64 0.27 2.35 0.44 0.02 0.00 0.00 175.26 178.98 1nrq n ILE 24 N 0.88 0.09 0.00 -1.63 -0.00 -1.26 -2.28 119.36 115.15 1nrq n ILE 24 Ca -0.18 -0.49 0.00 0.00 -0.00 0.00 0.00 62.75 62.08 1nrq n ILE 24 Cb 0.55 -2.18 0.00 0.00 -0.00 0.00 0.00 39.64 38.01 1nrq n ILE 24 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1nrq n GLY 25 N 6.16 2.59 0.00 3.28 0.00 -1.26 -4.97 105.19 110.98 1nrq n GLY 25 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1nrq n GLY 25 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1nrq n MET 26 N -0.71 0.00 0.00 1.61 0.00 -0.97 -3.49 117.12 113.57 1nrq n MET 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1nrq n MET 26 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 33.22 31.82 1nrq n MET 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1nrq n SER 27 N -0.78 0.00 0.00 6.12 2.88 -1.26 -4.97 113.62 115.61 1nrq n SER 27 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1nrq n SER 27 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1nrq n SER 27 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1nrq n PRO 28 N 0.00 0.03 0.00 -1.46 -0.02 -1.23 -1.07 135.00 131.26 1nrq n PRO 28 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.61 1nrq n PRO 28 Cb 0.00 -1.40 0.29 0.00 -0.02 0.00 0.00 33.50 32.37 1nrq n PRO 28 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1nrq n TRP 29 N -0.90 0.00 -3.89 6.00 2.14 -1.14 -0.75 117.44 118.90 1nrq n TRP 29 Ca 0.01 0.00 -0.35 0.00 2.07 0.00 0.00 57.50 59.22 1nrq n TRP 29 Cb 0.00 -0.01 -0.08 0.00 -0.81 0.00 0.00 31.31 30.41 1nrq n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1nrq s GLN 30 N -2.10 3.84 0.10 -2.67 0.74 -0.23 -1.74 119.66 117.60 1nrq s GLN 30 Ca 0.31 -0.24 0.06 0.00 0.05 0.00 0.00 55.36 55.54 1nrq s GLN 30 Cb 0.20 -3.26 -0.03 0.00 1.10 0.00 0.00 33.01 31.02 1nrq s GLN 30 CO 0.37 0.45 -0.16 0.54 -0.55 0.00 0.00 175.29 175.94 1nrq s VAL 31 N -0.11 1.40 -0.10 1.34 0.11 0.83 -4.16 120.40 119.71 1nrq s VAL 31 Ca 0.09 -1.52 -0.04 0.00 -2.93 0.00 0.00 61.98 57.58 1nrq s VAL 31 Cb -0.12 -1.38 -0.04 0.00 -1.53 0.00 0.00 36.38 33.32 1nrq s VAL 31 CO 0.00 -0.22 0.06 -0.32 -3.33 0.00 0.00 175.10 171.29 1nrq s MET 32 N -2.08 3.21 -1.12 1.54 1.75 0.44 0.21 119.30 123.25 1nrq s MET 32 Ca 0.04 -0.29 -0.09 0.00 -1.25 0.00 0.00 55.69 54.11 1nrq s MET 32 Cb -0.09 -2.98 0.28 0.00 2.84 0.00 0.00 34.83 34.89 1nrq s MET 32 CO 0.03 0.72 1.16 1.28 -0.65 0.00 0.00 175.02 177.57 1nrq n LEU 33 N 2.13 5.58 -4.29 4.11 4.77 0.91 -2.38 117.00 127.83 1nrq n LEU 33 Ca -0.19 -5.02 -0.45 0.00 -0.03 0.00 0.00 56.01 50.32 1nrq n LEU 33 Cb 0.54 -1.47 -0.05 0.00 -2.33 0.00 0.00 43.42 40.11 1nrq n LEU 33 CO 0.30 1.34 0.19 0.12 -1.33 0.00 0.00 177.39 178.01 1nrq s PHE 34 N -1.26 3.44 0.88 -1.77 5.36 -1.23 0.42 117.98 123.81 1nrq s PHE 34 Ca 0.32 -1.67 -0.10 0.00 -0.96 0.00 0.00 56.93 54.52 1nrq s PHE 34 Cb -0.09 -3.72 0.12 0.00 -0.34 0.00 0.00 43.02 38.99 1nrq s PHE 34 CO -0.06 -1.00 1.12 -0.98 -1.46 0.00 0.00 175.22 172.84 1nrq s ARG 35 N 1.06 1.34 0.17 10.12 1.70 0.78 -3.10 118.95 131.02 1nrq s ARG 35 Ca 0.08 1.36 0.09 0.00 -0.47 0.00 0.00 55.73 56.79 1nrq s ARG 35 Cb -0.23 -1.78 -0.06 0.00 -0.57 0.00 0.00 34.95 32.31 1nrq s ARG 35 CO -0.01 -2.34 1.36 0.87 -1.08 0.00 0.00 175.30 174.10 1nrq h LYS 36 N -1.65 0.00 0.00 3.89 1.57 -1.80 0.11 116.57 118.69 1nrq h LYS 36 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1nrq h LYS 36 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1nrq h LYS 36 CO 0.46 0.87 0.00 -1.13 -0.57 0.00 0.00 179.45 179.08 1nrq n SER 36 N -3.43 0.00 -4.49 0.86 3.41 -1.26 -2.15 113.62 106.57 1nrq n SER 36 Ca -0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1nrq n SER 36 Cb 0.85 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.68 1nrq n SER 36 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1nrq n PRO 37 N 0.00 0.18 -1.42 4.33 -0.02 -1.26 -4.93 135.00 131.88 1nrq n PRO 37 Ca 0.00 0.01 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 1nrq n PRO 37 Cb 0.00 -1.80 -0.17 0.00 -0.02 0.00 0.00 33.50 31.51 1nrq n PRO 37 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1nrq n GLN 38 N 8.49 0.00 -3.97 -0.52 7.27 -0.91 -4.75 117.38 123.00 1nrq n GLN 38 Ca 0.60 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 57.57 1nrq n GLN 38 Cb 0.10 -1.25 -0.03 0.00 2.41 0.00 0.00 30.24 31.48 1nrq n GLN 38 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 1nrq s GLU 39 N 7.83 1.83 -0.27 3.69 -1.05 0.37 -4.95 118.70 126.16 1nrq s GLU 39 Ca 1.27 -1.40 -0.13 0.00 -0.15 0.00 0.00 54.97 54.56 1nrq s GLU 39 Cb -1.05 0.51 -0.04 0.00 -0.44 0.00 0.00 34.13 33.11 1nrq s GLU 39 CO 0.49 -0.79 0.29 -1.17 0.95 0.00 0.00 175.26 175.03 1nrq s LEU 40 N -3.08 4.04 -0.23 1.83 0.20 -1.26 0.27 118.68 120.46 1nrq s LEU 40 Ca 0.22 0.18 0.01 0.00 0.69 0.00 0.00 54.13 55.23 1nrq s LEU 40 Cb -0.02 -2.29 -0.15 0.00 -0.43 0.00 0.00 46.19 43.30 1nrq s LEU 40 CO 0.12 -0.11 -0.20 0.00 -0.29 0.00 0.00 176.35 175.87 1nrq n LEU 41 N 5.10 2.94 0.00 -0.68 -0.00 1.40 -4.90 117.00 120.86 1nrq n LEU 41 Ca -0.11 -0.11 0.00 0.00 -0.00 0.00 0.00 56.01 55.79 1nrq n LEU 41 Cb 0.51 -0.79 0.00 0.00 -0.00 0.00 0.00 43.42 43.14 1nrq n LEU 41 CO 0.36 0.87 0.00 0.00 -0.00 0.00 0.00 177.39 178.61 1nrq s GLY 43 N -0.06 0.61 0.31 0.00 0.00 -0.93 0.31 107.32 107.56 1nrq s GLY 43 Ca 0.00 -0.94 -0.06 0.00 0.00 0.00 0.00 44.72 43.72 1nrq s GLY 43 CO 0.00 -1.00 0.47 0.00 0.00 0.00 0.00 173.10 172.57 1nrq s ALA 44 N -1.92 0.42 0.08 3.20 0.00 0.13 -3.31 121.76 120.37 1nrq s ALA 44 Ca -0.04 -1.30 0.08 0.00 0.00 0.00 0.00 51.96 50.71 1nrq s ALA 44 Cb -0.06 1.12 -0.03 0.00 0.00 0.00 0.00 23.12 24.14 1nrq s ALA 44 CO -0.01 -0.81 -0.22 -1.54 0.00 0.00 0.00 175.76 173.18 1nrq s SER 45 N -3.16 2.70 -1.02 0.00 1.04 -1.21 -0.12 113.70 111.94 1nrq s SER 45 Ca 0.28 -0.64 -0.15 0.00 0.48 0.00 0.00 55.95 55.92 1nrq s SER 45 Cb -0.00 -0.18 0.18 0.00 0.10 0.00 0.00 66.02 66.12 1nrq s SER 45 CO 0.16 0.13 1.15 -0.22 0.98 0.00 0.00 173.24 175.43 1nrq s LEU 46 N -1.66 5.60 -0.36 2.42 2.96 -0.71 -2.96 118.68 123.97 1nrq s LEU 46 Ca 0.08 -2.71 0.01 0.00 -0.22 0.00 0.00 54.13 51.29 1nrq s LEU 46 Cb -0.10 -2.33 0.38 0.00 0.50 0.00 0.00 46.19 44.64 1nrq s LEU 46 CO 0.04 -0.74 1.79 2.30 -1.32 0.00 0.00 176.35 178.42 1nrq n ILE 47 N 4.47 2.74 -3.98 6.68 -5.35 -1.24 -1.89 119.36 120.79 1nrq n ILE 47 Ca 0.26 -1.64 0.02 0.00 -0.27 0.00 0.00 62.75 61.11 1nrq n ILE 47 Cb 0.45 -0.92 0.01 0.00 -1.74 0.00 0.00 39.64 37.44 1nrq n ILE 47 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1nrq n SER 48 N -0.38 -0.53 0.00 7.28 2.88 -1.25 -4.77 113.62 116.84 1nrq n SER 48 Ca 0.41 -1.05 0.11 0.00 -1.33 0.00 0.00 58.87 57.00 1nrq n SER 48 Cb 0.99 0.81 -0.10 0.00 -0.75 0.00 0.00 64.21 65.16 1nrq n SER 48 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1nrq n ASP 49 N -0.54 0.63 -1.86 -3.46 2.03 -1.26 -4.50 116.55 107.59 1nrq n ASP 49 Ca 0.03 -0.55 -0.03 0.00 0.52 0.00 0.00 54.79 54.75 1nrq n ASP 49 Cb 0.28 1.24 0.03 0.00 -0.72 0.00 0.00 41.12 41.95 1nrq n ASP 49 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1nrq n ARG 50 N -1.80 0.68 -3.98 -0.67 5.12 -1.26 -1.02 116.66 113.73 1nrq n ARG 50 Ca 0.01 -1.44 -0.09 0.00 -1.93 0.00 0.00 57.85 54.41 1nrq n ARG 50 Cb 0.42 0.21 -0.10 0.00 -1.16 0.00 0.00 32.46 31.83 1nrq n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1nrq s TRP 51 N -0.33 0.30 -0.12 -1.55 0.52 -1.26 -3.28 118.94 113.21 1nrq s TRP 51 Ca 0.10 -0.66 -0.13 0.00 0.02 0.00 0.00 56.10 55.44 1nrq s TRP 51 Cb 0.24 -0.22 0.03 0.00 -1.15 0.00 0.00 33.47 32.38 1nrq s TRP 51 CO -0.07 -0.33 0.35 0.08 0.02 0.00 0.00 176.95 177.01 1nrq s VAL 52 N -2.67 0.01 0.19 4.03 1.01 -1.11 -3.65 120.40 118.21 1nrq s VAL 52 Ca -0.05 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 61.96 1nrq s VAL 52 Cb -0.01 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 1nrq s VAL 52 CO -0.05 -0.03 -0.13 -1.48 0.00 0.00 0.00 175.10 173.41 1nrq s LEU 53 N 0.03 2.55 0.01 3.92 0.05 -1.16 0.21 118.68 124.30 1nrq s LEU 53 Ca -0.01 -1.02 -0.28 0.00 0.05 0.00 0.00 54.13 52.86 1nrq s LEU 53 Cb -0.03 -0.61 0.10 0.00 -2.05 0.00 0.00 46.19 43.61 1nrq s LEU 53 CO 0.01 -0.20 1.25 0.28 -0.55 0.00 0.00 176.35 177.13 1nrq s THR 54 N -3.05 0.00 0.71 5.48 -1.32 0.42 -3.29 115.64 114.60 1nrq s THR 54 Ca 0.21 -0.24 -0.17 0.00 -1.21 0.00 0.00 61.69 60.28 1nrq s THR 54 Cb -0.00 -2.68 -0.10 0.00 -1.51 0.00 0.00 72.50 68.21 1nrq s THR 54 CO 0.06 0.00 -0.02 0.00 -2.21 0.00 0.00 174.62 172.44 1nrq n ALA 55 N -0.76 -3.03 -0.07 11.08 0.00 -1.26 -0.26 120.51 126.21 1nrq n ALA 55 Ca -0.01 -0.28 -0.08 0.00 0.00 0.00 0.00 53.44 53.08 1nrq n ALA 55 Cb 0.60 -1.52 -0.05 0.00 0.00 0.00 0.00 19.45 18.48 1nrq n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nrq h ALA 56 N -0.41 0.05 -0.41 0.00 0.00 -1.75 -3.36 119.26 113.38 1nrq h ALA 56 Ca -0.43 -0.47 0.08 0.00 0.00 0.00 0.00 54.91 54.08 1nrq h ALA 56 Cb 1.37 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 19.40 1nrq h ALA 56 CO 0.38 0.31 -0.07 1.12 0.00 0.00 0.00 179.25 180.98 1nrq h HIS 57 N -1.00 -0.16 0.00 0.00 2.07 -1.91 0.26 115.15 114.42 1nrq h HIS 57 Ca -0.06 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.49 1nrq h HIS 57 Cb 0.56 0.13 0.00 0.00 2.57 0.00 0.00 27.41 30.68 1nrq h HIS 57 CO -0.02 -0.15 0.33 0.00 -3.07 0.00 0.00 177.93 175.02 1nrq n LEU 59 N -0.73 0.00 -3.32 0.00 7.94 0.86 -4.96 117.00 116.79 1nrq n LEU 59 Ca 0.00 -0.02 -0.12 0.00 -1.11 0.00 0.00 56.01 54.76 1nrq n LEU 59 Cb 0.33 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.22 1nrq n LEU 59 CO 0.00 0.00 -0.09 -0.22 -1.11 0.00 0.00 177.39 175.97 1nrq s LEU 60 N -0.44 -0.48 0.16 -1.96 0.20 0.23 -3.37 118.68 113.03 1nrq s LEU 60 Ca 0.00 -1.22 0.05 0.00 0.69 0.00 0.00 54.13 53.65 1nrq s LEU 60 Cb 0.00 0.93 -0.04 0.00 -0.43 0.00 0.00 46.19 46.65 1nrq s LEU 60 CO 0.00 -0.26 -0.12 -0.47 -0.29 0.00 0.00 176.35 175.22 1nrq s TYR 60 N 1.70 1.38 0.00 5.38 5.04 -0.95 -4.63 117.35 125.27 1nrq s TYR 60 Ca 0.15 -0.68 0.00 0.00 -2.44 0.00 0.00 57.07 54.10 1nrq s TYR 60 Cb -0.12 -0.69 0.00 0.00 0.35 0.00 0.00 41.96 41.50 1nrq s TYR 60 CO -0.09 0.15 0.00 -2.30 -1.34 0.00 0.00 175.55 171.98 1nrq n PRO 60 N -0.11 0.00 -3.22 4.97 -0.02 -1.26 -1.77 135.00 133.59 1nrq n PRO 60 Ca -0.11 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.13 1nrq n PRO 60 Cb 0.60 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 34.01 1nrq n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1nrq n TRP 60 N 0.00 -0.05 -0.25 6.00 8.01 -1.26 -5.06 117.44 124.83 1nrq n TRP 60 Ca 0.00 -3.60 -0.10 0.00 -1.31 0.00 0.00 57.50 52.49 1nrq n TRP 60 Cb 0.00 -0.34 -0.02 0.00 -2.01 0.00 0.00 31.31 28.94 1nrq n TRP 60 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1nrq n ASP 60 N 1.44 0.12 -3.62 -0.99 2.03 -1.19 -4.92 116.55 109.42 1nrq n ASP 60 Ca 0.22 0.10 -0.16 0.00 0.52 0.00 0.00 54.79 55.48 1nrq n ASP 60 Cb 0.52 -0.17 -0.07 0.00 -0.72 0.00 0.00 41.12 40.67 1nrq n ASP 60 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1nrq s LYS 60 N 1.28 0.88 0.00 -0.67 2.20 -0.73 -5.02 119.74 117.68 1nrq s LYS 60 Ca 0.23 0.28 0.00 0.00 -0.36 0.00 0.00 55.97 56.13 1nrq s LYS 60 Cb -0.27 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 1nrq s LYS 60 CO 0.12 -0.24 0.00 -1.71 -0.36 0.00 0.00 175.35 173.16 1nrq n ASN 60 N 1.43 0.00 -1.11 1.43 5.15 -1.26 -2.25 115.26 118.65 1nrq n ASN 60 Ca -0.18 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 1nrq n ASN 60 Cb 0.56 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.81 1nrq n ASN 60 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1nrq n PHE 60 N -0.02 0.00 -3.56 1.20 3.01 -1.22 -5.05 117.46 111.82 1nrq n PHE 60 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.34 1nrq n PHE 60 Cb 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.42 1nrq n PHE 60 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1nrq s THR 60 N -0.64 0.00 0.13 4.37 -1.32 -1.26 -4.98 115.64 111.94 1nrq s THR 60 Ca 0.00 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1nrq s THR 60 Cb 0.00 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.18 1nrq s THR 60 CO 0.00 0.00 0.69 -1.84 -2.21 0.00 0.00 174.62 171.26 1nrq n GLU 61 N 0.73 -0.04 0.11 7.08 0.00 -1.26 0.25 120.64 127.52 1nrq n GLU 61 Ca -0.12 0.66 -0.16 0.00 0.00 0.00 0.00 57.16 57.54 1nrq n GLU 61 Cb 0.58 -1.04 -0.09 0.00 0.00 0.00 0.00 31.44 30.89 1nrq n GLU 61 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1nrq h ASN 62 N 0.00 -1.51 -0.06 -1.84 2.35 -1.95 -3.17 115.58 109.39 1nrq h ASN 62 Ca 0.25 0.16 0.01 0.00 -0.55 0.00 0.00 56.30 56.16 1nrq h ASN 62 Cb 0.48 0.56 -0.01 0.00 0.05 0.00 0.00 38.32 39.40 1nrq h ASN 62 CO -0.42 -0.53 -0.03 0.47 -1.65 0.00 0.00 177.43 175.26 1nrq n ASP 63 N -5.31 -0.06 -4.91 5.81 9.92 0.69 -4.75 116.55 117.94 1nrq n ASP 63 Ca -0.08 0.88 -0.21 0.00 -0.53 0.00 0.00 54.79 54.85 1nrq n ASP 63 Cb 0.39 -0.40 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1nrq n ASP 63 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 1nrq s LEU 64 N -5.97 3.86 0.03 0.64 0.05 -1.18 -3.40 118.68 112.70 1nrq s LEU 64 Ca -0.01 -0.27 0.03 0.00 0.05 0.00 0.00 54.13 53.93 1nrq s LEU 64 Cb 0.01 -2.50 -0.02 0.00 -2.05 0.00 0.00 46.19 41.63 1nrq s LEU 64 CO 0.04 -0.28 -0.08 -0.22 -0.55 0.00 0.00 176.35 175.26 1nrq s LEU 65 N -4.02 2.16 0.07 1.48 2.96 -1.18 -4.32 118.68 115.83 1nrq s LEU 65 Ca 0.40 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 53.96 1nrq s LEU 65 Cb -0.08 -0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.28 1nrq s LEU 65 CO 0.28 -0.07 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.53 1nrq s VAL 66 N -0.87 3.87 -0.01 1.68 1.01 0.55 -3.49 120.40 123.14 1nrq s VAL 66 Ca -0.04 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1nrq s VAL 66 Cb -0.07 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.52 1nrq s VAL 66 CO 0.00 0.19 0.00 -0.13 0.00 0.00 0.00 175.10 175.17 1nrq s ARG 67 N -2.06 0.06 0.14 2.72 0.52 -1.00 -0.59 118.95 118.74 1nrq s ARG 67 Ca 0.23 0.03 0.08 0.00 -0.52 0.00 0.00 55.73 55.55 1nrq s ARG 67 Cb -0.11 -0.13 -0.04 0.00 0.52 0.00 0.00 34.95 35.18 1nrq s ARG 67 CO 0.15 -0.04 -0.19 0.42 0.02 0.00 0.00 175.30 175.66 1nrq s ILE 68 N 0.31 1.76 0.00 1.52 1.01 0.80 0.17 121.20 126.76 1nrq s ILE 68 Ca -0.03 -1.78 0.00 0.00 0.00 0.00 0.00 60.65 58.84 1nrq s ILE 68 Cb -0.04 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.70 1nrq s ILE 68 CO -0.01 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.30 1nrq n GLY 69 N 0.56 0.59 2.80 6.18 0.00 -1.26 0.28 105.19 114.34 1nrq n GLY 69 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 1nrq n GLY 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nrq n LYS 70 N -2.00 0.00 -0.05 1.61 4.01 -1.26 -4.58 118.16 115.88 1nrq n LYS 70 Ca 0.00 -0.04 -0.02 0.00 -0.51 0.00 0.00 58.31 57.74 1nrq n LYS 70 Cb 0.00 -1.07 -0.02 0.00 -0.51 0.00 0.00 35.03 33.43 1nrq n LYS 70 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1nrq h HIS 71 N 6.25 0.00 -3.39 2.13 2.76 -1.96 -3.44 115.15 117.51 1nrq h HIS 71 Ca 0.01 0.00 -0.55 0.00 -2.20 0.00 0.00 60.37 57.63 1nrq h HIS 71 Cb 0.28 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.20 1nrq h HIS 71 CO 0.81 0.15 0.23 0.45 -1.30 0.00 0.00 177.93 178.27 1nrq s SER 72 N -5.66 7.18 0.23 3.26 0.15 -1.26 -2.72 113.70 114.88 1nrq s SER 72 Ca -0.04 1.42 0.23 0.00 0.70 0.00 0.00 55.95 58.27 1nrq s SER 72 Cb -0.00 -2.49 0.94 0.00 -1.71 0.00 0.00 66.02 62.75 1nrq s SER 72 CO 0.11 -0.19 1.70 -1.14 1.20 0.00 0.00 173.24 174.92 1nrq n ARG 73 N 3.86 0.18 0.01 5.44 0.63 -0.45 -4.31 116.66 122.02 1nrq n ARG 73 Ca 0.02 0.38 -0.00 0.00 -0.92 0.00 0.00 57.85 57.34 1nrq n ARG 73 Cb 0.51 -1.83 -0.00 0.00 0.45 0.00 0.00 32.46 31.59 1nrq n ARG 73 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1nrq n THR 74 N -2.17 0.27 0.00 5.15 -1.04 -1.26 -5.05 114.28 110.18 1nrq n THR 74 Ca 0.03 0.14 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 1nrq n THR 74 Cb 0.24 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 1nrq n THR 74 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1nrq n ARG 75 N -2.74 1.05 -3.72 -2.82 3.00 -1.26 -4.94 116.66 105.23 1nrq n ARG 75 Ca -0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.85 57.55 1nrq n ARG 75 Cb 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.35 1nrq n ARG 75 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 1nrq s TYR 76 N 0.00 2.37 -0.60 -1.55 5.04 -1.26 -5.04 117.35 116.30 1nrq s TYR 76 Ca 0.00 -2.74 -0.26 0.00 -2.44 0.00 0.00 57.07 51.63 1nrq s TYR 76 Cb 0.00 -2.00 -0.10 0.00 0.35 0.00 0.00 41.96 40.21 1nrq s TYR 76 CO 0.00 -0.72 2.42 0.39 -1.34 0.00 0.00 175.55 176.30 1nrq n GLU 77 N 2.89 0.86 0.00 4.97 -0.58 -1.26 -4.83 120.64 122.69 1nrq n GLU 77 Ca 0.16 -0.32 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 1nrq n GLU 77 Cb 0.37 -3.55 0.00 0.00 -0.57 0.00 0.00 31.44 27.69 1nrq n GLU 77 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1nrq n ARG 77 N 8.94 0.00 -1.22 3.49 0.63 -1.26 -3.18 116.66 124.06 1nrq n ARG 77 Ca 0.41 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 57.07 1nrq n ARG 77 Cb 0.51 -0.66 0.14 0.00 0.45 0.00 0.00 32.46 32.90 1nrq n ARG 77 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1nrq n ASN 78 N -0.25 5.03 0.00 6.15 4.05 -1.26 -3.77 115.26 125.21 1nrq n ASN 78 Ca 0.00 -3.61 0.00 0.00 0.45 0.00 0.00 54.58 51.42 1nrq n ASN 78 Cb 0.00 -0.88 0.00 0.00 1.23 0.00 0.00 39.78 40.13 1nrq n ASN 78 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1nrq n ILE 79 N -1.00 0.00 -4.11 -1.44 -6.64 -1.26 -5.08 119.36 99.83 1nrq n ILE 79 Ca 0.59 -0.01 -0.35 0.00 -1.77 0.00 0.00 62.75 61.20 1nrq n ILE 79 Cb 1.31 0.65 -0.09 0.00 -1.44 0.00 0.00 39.64 40.07 1nrq n ILE 79 CO 0.00 0.00 0.00 -0.70 -1.77 0.00 0.00 176.55 174.08 1nrq s GLU 80 N -0.05 3.52 0.20 6.28 2.12 -1.19 -4.41 118.70 125.17 1nrq s GLU 80 Ca 0.00 -0.32 0.08 0.00 0.36 0.00 0.00 54.97 55.08 1nrq s GLU 80 Cb 0.00 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.29 1nrq s GLU 80 CO 0.00 0.53 0.02 0.21 -0.54 0.00 0.00 175.26 175.48 1nrq s LYS 81 N -0.36 2.46 -0.27 4.30 2.47 0.81 -4.85 119.74 124.31 1nrq s LYS 81 Ca 0.09 -1.15 -0.26 0.00 -1.56 0.00 0.00 55.97 53.09 1nrq s LYS 81 Cb -0.12 -2.35 0.15 0.00 -1.46 0.00 0.00 37.83 34.05 1nrq s LYS 81 CO 0.02 0.43 1.20 -1.50 0.16 0.00 0.00 175.35 175.66 1nrq s ILE 82 N -1.89 0.00 0.25 5.43 2.07 -1.26 -0.14 121.20 125.66 1nrq s ILE 82 Ca 0.29 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.35 1nrq s ILE 82 Cb -0.09 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.52 1nrq s ILE 82 CO 0.20 0.00 0.61 -0.55 -1.91 0.00 0.00 174.94 173.28 1nrq s SER 83 N -0.12 -0.21 0.09 4.50 0.15 0.24 -4.99 113.70 113.37 1nrq s SER 83 Ca 0.04 -0.69 0.07 0.00 0.70 0.00 0.00 55.95 56.07 1nrq s SER 83 Cb -0.04 0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 64.89 1nrq s SER 83 CO -0.09 -1.23 -0.11 -0.32 1.20 0.00 0.00 173.24 172.70 1nrq s MET 84 N -3.94 2.14 1.05 5.44 1.75 -1.26 0.20 119.30 124.68 1nrq s MET 84 Ca 0.15 -1.00 -0.16 0.00 -1.25 0.00 0.00 55.69 53.42 1nrq s MET 84 Cb -0.03 -2.30 0.09 0.00 2.84 0.00 0.00 34.83 35.42 1nrq s MET 84 CO 0.06 0.52 0.24 1.28 -0.65 0.00 0.00 175.02 176.46 1nrq n LEU 85 N 0.83 -1.31 -0.00 4.11 4.77 -1.26 -3.08 117.00 121.07 1nrq n LEU 85 Ca -0.14 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1nrq n LEU 85 Cb 0.52 -1.08 -0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1nrq n LEU 85 CO 0.32 -3.31 -0.13 1.21 -1.33 0.00 0.00 177.39 174.15 1nrq n GLU 86 N -2.08 5.18 0.00 3.23 2.13 -0.40 -4.01 120.64 124.69 1nrq n GLU 86 Ca 0.03 -0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1nrq n GLU 86 Cb 0.58 -0.64 0.00 0.00 0.27 0.00 0.00 31.44 31.65 1nrq n GLU 86 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1nrq n LYS 87 N -1.13 0.00 -3.69 5.31 0.00 -1.21 -4.87 118.16 112.57 1nrq n LYS 87 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 58.31 57.99 1nrq n LYS 87 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.99 1nrq n LYS 87 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1nrq s ILE 88 N -0.65 5.18 -0.21 3.15 1.01 -1.26 -1.28 121.20 127.14 1nrq s ILE 88 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.65 1nrq s ILE 88 Cb 0.00 -3.62 0.06 0.00 0.01 0.00 0.00 42.46 38.91 1nrq s ILE 88 CO 0.00 0.06 0.03 -0.31 0.00 0.00 0.00 174.94 174.72 1nrq s TYR 89 N -1.63 1.27 0.62 3.97 2.02 0.41 -4.95 117.35 119.05 1nrq s TYR 89 Ca 0.40 -1.05 -0.03 0.00 -0.37 0.00 0.00 57.07 56.02 1nrq s TYR 89 Cb -0.12 -1.15 0.04 0.00 -0.40 0.00 0.00 41.96 40.33 1nrq s TYR 89 CO 0.24 -0.65 0.90 0.42 -1.57 0.00 0.00 175.55 174.89 1nrq s ILE 90 N 1.77 2.63 -0.25 2.71 1.09 -1.26 -0.35 121.20 127.55 1nrq s ILE 90 Ca -0.01 -0.40 -0.01 0.00 -1.10 0.00 0.00 60.65 59.13 1nrq s ILE 90 Cb -0.17 -3.07 0.03 0.00 -1.06 0.00 0.00 42.46 38.19 1nrq s ILE 90 CO -0.09 -0.06 -0.07 -2.28 -0.10 0.00 0.00 174.94 172.34 1nrq s HIS 91 N -3.01 3.07 -0.20 3.97 2.46 -1.25 -4.91 115.29 115.42 1nrq s HIS 91 Ca 0.58 -1.63 0.00 0.00 0.47 0.00 0.00 55.06 54.48 1nrq s HIS 91 Cb -0.11 -2.04 0.00 0.00 -0.13 0.00 0.00 32.58 30.30 1nrq s HIS 91 CO 0.42 -0.75 0.05 -2.30 -2.47 0.00 0.00 174.74 169.69 1nrq n PRO 92 N 4.65 0.00 -0.88 2.88 -0.02 -1.26 -1.67 135.00 138.69 1nrq n PRO 92 Ca -0.16 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.36 1nrq n PRO 92 Cb 0.47 -1.47 0.10 0.00 -0.02 0.00 0.00 33.50 32.57 1nrq n PRO 92 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1nrq n ARG 93 N -0.52 0.71 -1.76 -0.52 5.12 -1.26 -5.08 116.66 113.35 1nrq n ARG 93 Ca 0.00 -2.39 -0.41 0.00 -1.93 0.00 0.00 57.85 53.11 1nrq n ARG 93 Cb 0.00 -0.82 -0.01 0.00 -1.16 0.00 0.00 32.46 30.48 1nrq n ARG 93 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 1nrq n TYR 94 N -0.37 2.89 -2.74 -1.55 4.19 -0.67 -4.79 117.16 114.12 1nrq n TYR 94 Ca 0.11 0.40 -0.27 0.00 3.31 0.00 0.00 57.90 61.45 1nrq n TYR 94 Cb 0.87 -2.54 -0.02 0.00 0.49 0.00 0.00 39.34 38.13 1nrq n TYR 94 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1nrq n ASN 95 N 0.99 4.62 0.19 2.98 4.13 -0.91 -4.80 115.26 122.45 1nrq n ASN 95 Ca 0.04 -3.70 0.18 0.00 1.68 0.00 0.00 54.58 52.78 1nrq n ASN 95 Cb 0.38 -0.52 0.80 0.00 -1.54 0.00 0.00 39.78 38.89 1nrq n ASN 95 CO 0.00 0.00 0.00 4.11 0.28 0.00 0.00 177.26 181.65 1nrq h TRP 96 N 2.82 0.00 -0.09 3.10 5.08 -1.90 0.20 115.95 125.16 1nrq h TRP 96 Ca 0.21 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 60.00 1nrq h TRP 96 Cb 0.68 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.85 1nrq h TRP 96 CO 0.84 0.00 -0.62 -0.09 -1.28 0.00 0.00 178.44 177.28 1nrq h ARG 97 N 0.00 0.57 0.00 0.12 2.43 -1.98 -3.42 114.38 112.10 1nrq h ARG 97 Ca 0.11 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1nrq h ARG 97 Cb 0.80 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1nrq h ARG 97 CO -0.00 1.13 -0.00 0.93 -1.51 0.00 0.00 179.97 180.51 1nrq h GLU 97 N 0.19 0.00 0.00 0.20 4.39 -1.02 -3.48 114.58 114.87 1nrq h GLU 97 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1nrq h GLU 97 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1nrq h GLU 97 CO 0.13 0.00 0.00 0.27 -1.16 0.00 0.00 179.01 178.25 1nrq n ASN 98 N -2.22 0.00 -1.50 1.42 0.23 -0.87 -5.00 115.26 107.33 1nrq n ASN 98 Ca -0.00 -1.00 -0.04 0.00 -0.53 0.00 0.00 54.58 53.01 1nrq n ASN 98 Cb 0.00 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 37.72 1nrq n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1nrq n LEU 99 N 0.00 -2.43 -4.81 -4.53 4.77 -0.73 -5.02 117.00 104.24 1nrq n LEU 99 Ca 0.00 -0.13 -0.34 0.00 -0.03 0.00 0.00 56.01 55.51 1nrq n LEU 99 Cb 0.41 -1.08 -0.07 0.00 -2.33 0.00 0.00 43.42 40.35 1nrq n LEU 99 CO 0.00 0.09 0.63 -0.62 -1.33 0.00 0.00 177.39 176.16 1nrq s ASP 100 N -3.28 7.01 -1.56 -1.43 -1.08 -1.26 -3.52 116.67 111.55 1nrq s ASP 100 Ca 0.01 1.68 -0.15 0.00 -0.52 0.00 0.00 52.55 53.57 1nrq s ASP 100 Cb -0.01 -2.53 0.12 0.00 -1.46 0.00 0.00 42.92 39.04 1nrq s ASP 100 CO 0.16 -0.29 0.80 0.54 0.52 0.00 0.00 175.17 176.91 1nrq n ARG 101 N -0.37 -4.09 -1.55 4.34 1.74 -1.26 -2.14 116.66 113.34 1nrq n ARG 101 Ca 0.06 0.48 -0.13 0.00 -0.77 0.00 0.00 57.85 57.48 1nrq n ARG 101 Cb 0.53 -5.27 -0.09 0.00 -1.02 0.00 0.00 32.46 26.61 1nrq n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1nrq n ASP 102 N -2.64 1.43 -3.57 0.55 -0.08 -1.23 -4.76 116.55 106.25 1nrq n ASP 102 Ca 0.05 -1.85 -0.12 0.00 -1.51 0.00 0.00 54.79 51.36 1nrq n ASP 102 Cb 0.51 -1.63 -0.04 0.00 2.34 0.00 0.00 41.12 42.30 1nrq n ASP 102 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1nrq s ILE 103 N 15.13 0.04 -0.19 5.18 2.07 -1.26 -3.94 121.20 138.23 1nrq s ILE 103 Ca 0.88 -0.34 -0.33 0.00 -1.41 0.00 0.00 60.65 59.45 1nrq s ILE 103 Cb -0.12 -1.06 0.14 0.00 0.13 0.00 0.00 42.46 41.55 1nrq s ILE 103 CO 0.14 -0.19 1.18 0.00 -1.91 0.00 0.00 174.94 174.16 1nrq s ALA 104 N -3.35 -2.04 0.05 1.50 0.00 0.64 -3.76 121.76 114.79 1nrq s ALA 104 Ca -0.00 1.60 0.01 0.00 0.00 0.00 0.00 51.96 53.57 1nrq s ALA 104 Cb 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1nrq s ALA 104 CO -0.09 -0.51 -0.06 -0.48 0.00 0.00 0.00 175.76 174.62 1nrq s LEU 105 N -1.89 2.32 -0.30 0.00 0.05 0.53 0.16 118.68 119.55 1nrq s LEU 105 Ca 0.08 -0.67 -0.01 0.00 0.05 0.00 0.00 54.13 53.58 1nrq s LEU 105 Cb -0.01 -0.03 0.10 0.00 -2.05 0.00 0.00 46.19 44.19 1nrq s LEU 105 CO -0.05 -0.32 0.09 -0.04 -0.55 0.00 0.00 176.35 175.48 1nrq s MET 106 N -2.20 0.67 -0.66 1.48 -1.94 0.57 0.15 119.30 117.38 1nrq s MET 106 Ca -0.06 -0.96 -0.26 0.00 -1.71 0.00 0.00 55.69 52.70 1nrq s MET 106 Cb -0.05 -1.93 -0.05 0.00 2.01 0.00 0.00 34.83 34.81 1nrq s MET 106 CO -0.02 -0.95 2.04 0.21 -0.01 0.00 0.00 175.02 176.29 1nrq s LYS 107 N 1.68 2.42 -0.08 2.03 2.47 -0.41 -2.76 119.74 125.09 1nrq s LYS 107 Ca 0.08 0.59 -0.38 0.00 -1.56 0.00 0.00 55.97 54.71 1nrq s LYS 107 Cb -0.17 -4.59 -0.15 0.00 -1.46 0.00 0.00 37.83 31.45 1nrq s LYS 107 CO -0.24 -3.12 1.59 1.28 0.16 0.00 0.00 175.35 175.02 1nrq n LEU 108 N 14.15 2.30 0.07 5.43 4.77 -1.21 -1.27 117.00 141.24 1nrq n LEU 108 Ca 0.30 1.08 0.21 0.00 -0.03 0.00 0.00 56.01 57.57 1nrq n LEU 108 Cb 0.51 -1.21 0.69 0.00 -2.33 0.00 0.00 43.42 41.08 1nrq n LEU 108 CO 0.68 -0.61 1.18 0.50 -1.33 0.00 0.00 177.39 177.81 1nrq h LYS 109 N 6.31 0.00 -3.66 3.23 3.64 -1.67 -3.40 116.57 121.02 1nrq h LYS 109 Ca -0.47 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 58.75 1nrq h LYS 109 Cb 1.31 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.91 1nrq h LYS 109 CO 0.88 0.00 -0.58 0.15 -2.27 0.00 0.00 179.45 177.63 1nrq s LYS 110 N -4.51 0.35 0.08 1.90 1.02 -1.26 -4.94 119.74 112.38 1nrq s LYS 110 Ca -0.04 -0.36 -0.28 0.00 0.02 0.00 0.00 55.97 55.31 1nrq s LYS 110 Cb 0.14 0.14 -0.05 0.00 -0.52 0.00 0.00 37.83 37.54 1nrq s LYS 110 CO 0.49 -0.07 0.89 -1.25 -0.92 0.00 0.00 175.35 174.49 1nrq s PRO 111 N -1.12 4.62 -0.43 -1.68 0.04 -1.26 -4.90 135.00 130.27 1nrq s PRO 111 Ca -0.12 1.32 -0.19 0.00 0.04 0.00 0.00 61.00 62.04 1nrq s PRO 111 Cb -0.07 -3.38 0.02 0.00 0.04 0.00 0.00 34.50 31.11 1nrq s PRO 111 CO 0.00 0.22 0.57 0.08 0.04 0.00 0.00 177.00 177.91 1nrq s VAL 112 N 0.05 4.92 0.07 -0.36 1.01 -0.19 -5.01 120.40 120.89 1nrq s VAL 112 Ca 0.44 -0.04 -0.27 0.00 0.00 0.00 0.00 61.98 62.11 1nrq s VAL 112 Cb -0.22 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 1nrq s VAL 112 CO 0.27 -0.53 0.84 0.00 0.00 0.00 0.00 175.10 175.69 1nrq s ALA 113 N 2.56 3.32 1.05 5.51 0.00 -1.26 -4.69 121.76 128.25 1nrq s ALA 113 Ca 0.19 0.39 -0.14 0.00 0.00 0.00 0.00 51.96 52.40 1nrq s ALA 113 Cb -0.15 -3.10 0.21 0.00 0.00 0.00 0.00 23.12 20.08 1nrq s ALA 113 CO 0.17 0.03 1.10 -0.06 0.00 0.00 0.00 175.76 177.00 1nrq s PHE 114 N -0.03 1.76 0.00 0.00 0.08 -1.26 -4.99 117.98 113.54 1nrq s PHE 114 Ca 0.42 0.85 0.00 0.00 0.12 0.00 0.00 56.93 58.32 1nrq s PHE 114 Cb -0.22 -3.32 0.00 0.00 -0.57 0.00 0.00 43.02 38.91 1nrq s PHE 114 CO 0.26 -3.12 0.00 0.45 -0.10 0.00 0.00 175.22 172.70 1nrq n SER 115 N -4.31 0.00 0.02 1.36 2.88 0.53 -4.95 113.62 109.15 1nrq n SER 115 Ca 0.07 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.68 1nrq n SER 115 Cb 0.58 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.15 1nrq n SER 115 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1nrq n ASP 116 N 0.00 0.00 -0.03 -3.46 9.92 -1.26 0.75 116.55 122.47 1nrq n ASP 116 Ca 0.00 0.30 -0.02 0.00 -0.53 0.00 0.00 54.79 54.54 1nrq n ASP 116 Cb 0.00 -0.07 -0.07 0.00 -0.64 0.00 0.00 41.12 40.35 1nrq n ASP 116 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1nrq n TYR 117 N -1.85 0.00 -4.02 1.24 4.01 -1.26 -4.42 117.16 110.86 1nrq n TYR 117 Ca 0.06 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.48 1nrq n TYR 117 Cb 0.61 -0.35 -0.15 0.00 -0.31 0.00 0.00 39.34 39.14 1nrq n TYR 117 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 1nrq s ILE 118 N -2.32 2.35 -0.19 -0.72 2.07 0.23 -4.04 121.20 118.58 1nrq s ILE 118 Ca -0.04 -1.83 -0.12 0.00 -1.41 0.00 0.00 60.65 57.26 1nrq s ILE 118 Cb 0.03 -2.49 0.06 0.00 0.13 0.00 0.00 42.46 40.19 1nrq s ILE 118 CO 0.35 -0.23 0.47 -2.28 -1.91 0.00 0.00 174.94 171.34 1nrq s HIS 119 N 1.06 -0.67 1.42 3.50 2.46 0.07 -0.35 115.29 122.80 1nrq s HIS 119 Ca -0.02 1.43 -0.22 0.00 0.47 0.00 0.00 55.06 56.71 1nrq s HIS 119 Cb -0.20 0.31 0.37 0.00 -0.13 0.00 0.00 32.58 32.93 1nrq s HIS 119 CO -0.05 -0.36 0.91 -1.25 -2.47 0.00 0.00 174.74 171.52 1nrq s PRO 120 N 1.23 -2.96 0.13 2.88 0.05 -1.26 -2.87 135.00 132.20 1nrq s PRO 120 Ca -0.08 0.27 0.04 0.00 0.05 0.00 0.00 61.00 61.28 1nrq s PRO 120 Cb -0.07 -1.36 -0.04 0.00 0.05 0.00 0.00 34.50 33.08 1nrq s PRO 120 CO -0.11 -4.93 -0.10 0.08 0.05 0.00 0.00 177.00 171.99 1nrq s VAL 121 N -2.18 1.10 0.31 -0.36 1.01 -0.79 -4.76 120.40 114.73 1nrq s VAL 121 Ca 0.68 -1.88 0.10 0.00 0.00 0.00 0.00 61.98 60.88 1nrq s VAL 121 Cb -0.16 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1nrq s VAL 121 CO 0.59 -0.65 -0.05 0.00 0.00 0.00 0.00 175.10 174.99 1nrq s LEU 123 N -3.65 2.99 1.08 0.00 1.02 -1.26 -2.63 118.68 116.23 1nrq s LEU 123 Ca 0.33 -0.34 -0.21 0.00 0.02 0.00 0.00 54.13 53.92 1nrq s LEU 123 Cb -0.02 -1.77 0.01 0.00 0.02 0.00 0.00 46.19 44.42 1nrq s LEU 123 CO 0.18 0.21 -0.47 -2.65 0.02 0.00 0.00 176.35 173.65 1nrq n PRO 124 N 1.04 -1.05 -3.78 1.29 -0.01 -1.26 -5.00 135.00 126.23 1nrq n PRO 124 Ca -0.14 -0.29 -0.14 0.00 -0.01 0.00 0.00 63.50 62.92 1nrq n PRO 124 Cb 0.52 -1.48 -0.15 0.00 -0.01 0.00 0.00 33.50 32.39 1nrq n PRO 124 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 175.50 175.65 1nrq s ASP 125 N -1.58 -0.04 0.32 2.55 1.47 -1.26 -5.01 116.67 113.12 1nrq s ASP 125 Ca 0.50 0.18 0.27 0.00 1.18 0.00 0.00 52.55 54.68 1nrq s ASP 125 Cb -0.06 0.09 1.03 0.00 -0.34 0.00 0.00 42.92 43.65 1nrq s ASP 125 CO 0.67 -0.11 0.98 -1.14 0.68 0.00 0.00 175.17 176.25 1nrq n ARG 126 N 3.93 -0.01 0.00 2.11 0.63 -1.26 0.98 116.66 123.05 1nrq n ARG 126 Ca -0.24 0.73 0.00 0.00 -0.92 0.00 0.00 57.85 57.42 1nrq n ARG 126 Cb 0.53 -1.57 0.00 0.00 0.45 0.00 0.00 32.46 31.87 1nrq n ARG 126 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1nrq n GLU 127 N -3.50 0.00 0.00 -0.14 4.07 -1.26 -1.15 120.64 118.65 1nrq n GLU 127 Ca 0.27 0.27 0.00 0.00 -0.06 0.00 0.00 57.16 57.64 1nrq n GLU 127 Cb 1.16 -1.26 0.00 0.00 -0.06 0.00 0.00 31.44 31.28 1nrq n GLU 127 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1nrq n THR 128 N -1.31 0.00 0.00 6.31 -1.04 0.28 -1.50 114.28 117.02 1nrq n THR 128 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1nrq n THR 128 Cb 0.00 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 67.90 1nrq n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nrq n ALA 129 N 1.46 0.00 0.33 2.41 0.00 -0.30 -3.44 120.51 120.97 1nrq n ALA 129 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1nrq n ALA 129 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1nrq n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1nrq h SER 129 N 0.00 -0.91 0.00 0.00 0.02 -1.52 -3.41 113.55 107.73 1nrq h SER 129 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1nrq h SER 129 Cb 0.00 0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1nrq h SER 129 CO 0.00 -0.57 0.00 0.18 -1.14 0.00 0.00 176.83 175.30 1nrq n LEU 129 N -5.50 1.22 -3.89 5.07 4.77 -1.22 -4.66 117.00 112.79 1nrq n LEU 129 Ca -0.12 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1nrq n LEU 129 Cb 0.39 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1nrq n LEU 129 CO 0.34 -0.21 0.74 0.18 -1.33 0.00 0.00 177.39 177.11 1nrq n LEU 130 N -1.14 -1.47 -3.77 2.23 4.32 -1.26 -4.66 117.00 111.25 1nrq n LEU 130 Ca 0.00 -0.94 -0.13 0.00 -0.02 0.00 0.00 56.01 54.92 1nrq n LEU 130 Cb 0.00 -0.30 -0.12 0.00 -1.62 0.00 0.00 43.42 41.38 1nrq n LEU 130 CO 0.00 -1.27 -0.09 -1.58 -1.22 0.00 0.00 177.39 173.22 1nrq s GLN 131 N 3.92 0.28 0.15 3.23 0.74 -1.26 -4.90 119.66 121.81 1nrq s GLN 131 Ca 0.00 0.39 -0.32 0.00 0.05 0.00 0.00 55.36 55.48 1nrq s GLN 131 Cb 0.00 0.09 -0.17 0.00 1.10 0.00 0.00 33.01 34.02 1nrq s GLN 131 CO 0.00 -0.06 0.76 0.00 -0.55 0.00 0.00 175.29 175.43 1nrq n ALA 132 N 3.22 -2.72 0.00 1.58 0.00 -1.26 -1.25 120.51 120.07 1nrq n ALA 132 Ca -0.15 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1nrq n ALA 132 Cb 0.57 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1nrq n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nrq n GLY 133 N 1.82 2.82 3.67 0.00 0.00 -1.23 -4.87 105.19 107.40 1nrq n GLY 133 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1nrq n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nrq s TYR 134 N -0.98 3.08 0.81 1.61 1.51 -0.38 -4.50 117.35 118.50 1nrq s TYR 134 Ca 0.00 1.19 -0.10 0.00 -1.01 0.00 0.00 57.07 57.14 1nrq s TYR 134 Cb 0.00 -3.42 0.10 0.00 -0.11 0.00 0.00 41.96 38.54 1nrq s TYR 134 CO 0.00 -1.28 1.15 0.15 -1.11 0.00 0.00 175.55 174.45 1nrq s LYS 135 N 2.90 1.71 -0.06 -0.62 1.02 -1.25 -1.57 119.74 121.86 1nrq s LYS 135 Ca 0.53 -0.20 -0.14 0.00 0.02 0.00 0.00 55.97 56.17 1nrq s LYS 135 Cb -0.22 -2.02 0.03 0.00 -0.52 0.00 0.00 37.83 35.10 1nrq s LYS 135 CO 0.16 -1.67 0.34 0.20 -0.92 0.00 0.00 175.35 173.47 1nrq s GLY 136 N -4.64 -0.21 -0.09 -3.33 0.00 0.28 -4.81 107.32 94.51 1nrq s GLY 136 Ca 0.64 0.63 -0.09 0.00 0.00 0.00 0.00 44.72 45.90 1nrq s GLY 136 CO 0.48 0.44 0.20 0.50 0.00 0.00 0.00 173.10 174.73 1nrq s ARG 137 N -0.71 3.58 -0.12 2.90 0.52 -1.03 0.52 118.95 124.61 1nrq s ARG 137 Ca -0.08 -0.00 0.00 0.00 -0.52 0.00 0.00 55.73 55.13 1nrq s ARG 137 Cb -0.04 -3.20 0.02 0.00 0.52 0.00 0.00 34.95 32.25 1nrq s ARG 137 CO 0.03 0.74 -0.12 0.54 0.02 0.00 0.00 175.30 176.51 1nrq s VAL 138 N -1.00 1.33 0.56 3.52 0.11 -0.84 -2.78 120.40 121.30 1nrq s VAL 138 Ca 0.17 -0.50 0.05 0.00 -2.93 0.00 0.00 61.98 58.77 1nrq s VAL 138 Cb -0.13 -1.27 0.04 0.00 -1.53 0.00 0.00 36.38 33.49 1nrq s VAL 138 CO 0.06 0.42 0.38 0.42 -3.33 0.00 0.00 175.10 173.05 1nrq s THR 139 N 1.43 1.51 0.00 5.04 -4.23 -1.24 -2.86 115.64 115.29 1nrq s THR 139 Ca 0.02 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 1nrq s THR 139 Cb -0.13 -2.04 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1nrq s THR 139 CO -0.07 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1nrq n GLY 140 N -1.77 3.47 1.55 3.99 0.00 -0.73 -4.59 105.19 107.12 1nrq n GLY 140 Ca -0.04 -1.57 -0.12 0.00 0.00 0.00 0.00 46.02 44.29 1nrq n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1nrq n TRP 141 N -1.87 1.80 -0.90 1.61 8.01 -1.26 0.13 117.44 124.96 1nrq n TRP 141 Ca 0.00 -1.77 -0.19 0.00 -1.31 0.00 0.00 57.50 54.23 1nrq n TRP 141 Cb 0.00 -0.66 0.16 0.00 -2.01 0.00 0.00 31.31 28.80 1nrq n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1nrq n GLY 142 N -1.11 -2.58 3.54 6.99 0.00 -1.26 -4.30 105.19 106.46 1nrq n GLY 142 Ca 0.43 -1.49 -0.23 0.00 0.00 0.00 0.00 46.02 44.72 1nrq n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nrq n ASN 143 N -4.17 1.00 0.23 1.61 5.15 -0.29 -3.26 115.26 115.53 1nrq n ASN 143 Ca 0.10 -0.87 0.04 0.00 -0.60 0.00 0.00 54.58 53.25 1nrq n ASN 143 Cb 0.38 -1.30 0.23 0.00 -0.53 0.00 0.00 39.78 38.56 1nrq n ASN 143 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1nrq h LEU 144 N 18.13 0.00 -7.88 1.20 4.07 -1.81 -3.39 115.31 125.62 1nrq h LEU 144 Ca -0.05 0.00 0.10 0.00 0.08 0.00 0.00 57.88 58.01 1nrq h LEU 144 Cb 1.12 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.82 1nrq h LEU 144 CO 1.22 0.00 0.37 -0.54 -1.08 0.00 0.00 178.44 178.42 1nrq s LYS 145 N -3.50 1.61 0.00 1.13 1.02 -1.26 -4.47 119.74 114.27 1nrq s LYS 145 Ca -0.01 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 55.03 1nrq s LYS 145 Cb 0.02 0.51 0.00 0.00 -0.52 0.00 0.00 37.83 37.85 1nrq s LYS 145 CO 0.08 -0.74 0.10 -1.91 -0.92 0.00 0.00 175.35 171.95 1nrq n GLU 146 N -0.51 0.16 -0.03 1.68 2.13 -1.26 -4.94 120.64 117.87 1nrq n GLU 146 Ca -0.05 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.74 1nrq n GLU 146 Cb 0.60 -1.16 -0.04 0.00 0.27 0.00 0.00 31.44 31.10 1nrq n GLU 146 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nrq n GLY 150 N 0.55 -0.26 3.33 8.31 0.00 -1.26 -5.00 105.19 110.86 1nrq n GLY 150 Ca 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 1nrq n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nrq s GLN 151 N -2.14 0.50 1.12 1.61 -1.52 -1.26 -3.05 119.66 114.92 1nrq s GLN 151 Ca -0.03 0.66 -0.13 0.00 -1.95 0.00 0.00 55.36 53.91 1nrq s GLN 151 Cb 0.02 0.20 0.26 0.00 -0.22 0.00 0.00 33.01 33.26 1nrq s GLN 151 CO 0.22 -0.08 1.05 -1.25 -0.25 0.00 0.00 175.29 174.97 1nrq s PRO 152 N 0.48 -0.59 -0.07 2.91 0.04 -1.26 -4.93 135.00 131.58 1nrq s PRO 152 Ca -0.02 0.69 0.21 0.00 0.04 0.00 0.00 61.00 61.92 1nrq s PRO 152 Cb -0.04 -1.60 -0.31 0.00 0.04 0.00 0.00 34.50 32.58 1nrq s PRO 152 CO -0.02 -3.46 0.38 0.43 0.04 0.00 0.00 177.00 174.36 1nrq n SER 153 N -4.71 0.08 -4.18 6.66 7.64 -1.26 -4.76 113.62 113.08 1nrq n SER 153 Ca 0.03 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.80 1nrq n SER 153 Cb 0.55 1.75 -0.10 0.00 -1.01 0.00 0.00 64.21 65.41 1nrq n SER 153 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1nrq s VAL 154 N -3.26 0.01 0.54 0.44 0.11 -1.26 -1.34 120.40 115.64 1nrq s VAL 154 Ca -0.08 -1.96 -0.20 0.00 -2.93 0.00 0.00 61.98 56.81 1nrq s VAL 154 Cb 0.12 -2.44 -0.07 0.00 -1.53 0.00 0.00 36.38 32.45 1nrq s VAL 154 CO 0.88 -0.04 0.91 -0.11 -3.33 0.00 0.00 175.10 173.41 1nrq n LEU 155 N -0.26 2.92 -4.07 2.54 7.94 -1.10 -4.84 117.00 120.13 1nrq n LEU 155 Ca 0.01 0.86 -0.30 0.00 -1.11 0.00 0.00 56.01 55.47 1nrq n LEU 155 Cb 0.66 -1.35 -0.17 0.00 0.53 0.00 0.00 43.42 43.09 1nrq n LEU 155 CO 0.32 -1.93 -0.50 -1.10 -1.11 0.00 0.00 177.39 173.07 1nrq s GLN 156 N -2.43 2.44 -0.16 1.96 -1.52 0.12 -2.30 119.66 117.77 1nrq s GLN 156 Ca 0.71 -0.63 -0.00 0.00 -1.95 0.00 0.00 55.36 53.48 1nrq s GLN 156 Cb -0.46 -2.09 -0.00 0.00 -0.22 0.00 0.00 33.01 30.24 1nrq s GLN 156 CO 0.51 -0.10 -0.14 0.14 -0.25 0.00 0.00 175.29 175.45 1nrq s VAL 157 N 1.09 2.77 0.36 1.09 -7.23 -0.71 -1.76 120.40 116.01 1nrq s VAL 157 Ca -0.03 -0.73 0.06 0.00 -1.81 0.00 0.00 61.98 59.46 1nrq s VAL 157 Cb -0.14 -2.18 -0.07 0.00 0.56 0.00 0.00 36.38 34.55 1nrq s VAL 157 CO -0.05 0.51 0.02 0.54 -0.31 0.00 0.00 175.10 175.81 1nrq s VAL 158 N 0.80 1.62 -0.03 1.32 0.11 -1.14 -2.59 120.40 120.48 1nrq s VAL 158 Ca -0.05 -2.02 0.00 0.00 -2.93 0.00 0.00 61.98 56.98 1nrq s VAL 158 Cb -0.15 -2.84 0.03 0.00 -1.53 0.00 0.00 36.38 31.88 1nrq s VAL 158 CO 0.00 -0.04 0.00 0.20 -3.33 0.00 0.00 175.10 171.94 1nrq s ASN 159 N -3.58 0.43 0.00 3.54 0.02 -1.25 -1.98 114.94 112.13 1nrq s ASN 159 Ca 0.35 -0.02 -0.00 0.00 -1.02 0.00 0.00 52.86 52.17 1nrq s ASN 159 Cb 0.09 -0.22 -0.01 0.00 0.02 0.00 0.00 41.25 41.13 1nrq s ASN 159 CO 0.16 -0.10 -0.01 -0.76 0.02 0.00 0.00 177.10 176.41 1nrq s LEU 160 N 1.03 2.06 0.32 0.60 1.43 0.18 -4.90 118.68 119.41 1nrq s LEU 160 Ca -0.10 -0.13 -0.27 0.00 -1.03 0.00 0.00 54.13 52.61 1nrq s LEU 160 Cb -0.13 0.04 -0.10 0.00 0.03 0.00 0.00 46.19 46.02 1nrq s LEU 160 CO -0.02 -0.08 0.96 -2.16 0.23 0.00 0.00 176.35 175.28 1nrq s PRO 161 N -0.40 4.58 1.36 1.29 0.04 -1.26 0.99 135.00 141.60 1nrq s PRO 161 Ca -0.04 1.40 -0.21 0.00 0.04 0.00 0.00 61.00 62.19 1nrq s PRO 161 Cb -0.03 -2.86 0.34 0.00 0.04 0.00 0.00 34.50 31.99 1nrq s PRO 161 CO -0.00 0.26 0.97 0.42 0.04 0.00 0.00 177.00 178.69 1nrq s ILE 162 N -1.53 1.36 -0.00 0.56 -1.09 -0.61 -3.15 121.20 116.74 1nrq s ILE 162 Ca 0.49 0.00 0.02 0.00 -2.23 0.00 0.00 60.65 58.93 1nrq s ILE 162 Cb -0.21 -2.14 -0.01 0.00 -1.58 0.00 0.00 42.46 38.52 1nrq s ILE 162 CO 0.26 0.00 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.22 1nrq s VAL 163 N -2.42 0.48 -0.30 2.92 1.01 -1.18 -3.47 120.40 117.45 1nrq s VAL 163 Ca 0.69 -0.29 -0.38 0.00 0.00 0.00 0.00 61.98 62.00 1nrq s VAL 163 Cb -0.14 -0.42 -0.14 0.00 0.00 0.00 0.00 36.38 35.69 1nrq s VAL 163 CO 0.58 0.12 1.97 -0.62 0.00 0.00 0.00 175.10 177.15 1nrq n GLU 164 N 2.87 1.16 -0.33 2.72 4.71 -1.26 -4.78 120.64 125.73 1nrq n GLU 164 Ca -0.13 0.38 0.32 0.00 -0.01 0.00 0.00 57.16 57.71 1nrq n GLU 164 Cb 0.58 -2.27 0.57 0.00 -1.01 0.00 0.00 31.44 29.30 1nrq n GLU 164 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 1nrq n ARG 165 N 6.84 -0.05 0.31 3.49 0.00 -1.26 -1.44 116.66 124.55 1nrq n ARG 165 Ca 0.34 1.25 -0.12 0.00 -0.00 0.00 0.00 57.85 59.32 1nrq n ARG 165 Cb 0.18 -2.30 -0.06 0.00 0.00 0.00 0.00 32.46 30.28 1nrq n ARG 165 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1nrq h PRO 166 N 0.00 -0.76 -1.08 -0.14 0.13 -2.01 -2.94 132.00 125.20 1nrq h PRO 166 Ca 0.79 0.05 0.30 0.00 -0.87 0.00 0.00 66.00 66.28 1nrq h PRO 166 Cb 2.22 0.17 -0.11 0.00 0.13 0.00 0.00 31.00 33.41 1nrq h PRO 166 CO -0.65 -0.51 0.67 0.28 -0.23 0.00 0.00 178.00 177.57 1nrq h VAL 167 N -0.92 0.42 0.00 1.56 2.07 -1.61 2.91 116.25 120.67 1nrq h VAL 167 Ca -0.08 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1nrq h VAL 167 Cb 0.61 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1nrq h VAL 167 CO 0.13 0.07 -0.09 0.00 0.02 0.00 0.00 177.57 177.70 1nrq h LYS 169 N 0.00 0.70 -0.99 0.00 1.57 0.54 -3.30 116.57 115.09 1nrq h LYS 169 Ca -0.00 -0.70 -0.52 0.00 -1.87 0.00 0.00 60.65 57.56 1nrq h LYS 169 Cb 0.38 0.19 -0.30 0.00 0.08 0.00 0.00 32.23 32.57 1nrq h LYS 169 CO 0.01 1.29 0.66 -0.25 -0.57 0.00 0.00 179.45 180.59 1nrq n ASP 170 N -3.92 3.98 -0.12 0.86 8.00 -1.10 -3.61 116.55 120.63 1nrq n ASP 170 Ca -0.10 -3.63 -0.25 0.00 0.71 0.00 0.00 54.79 51.52 1nrq n ASP 170 Cb 0.83 -0.84 -0.11 0.00 -0.02 0.00 0.00 41.12 40.97 1nrq n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1nrq n SER 171 N -1.13 1.90 -1.47 -2.24 3.41 -1.16 -4.97 113.62 107.95 1nrq n SER 171 Ca 0.60 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.60 1nrq n SER 171 Cb 1.60 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 1nrq n SER 171 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1nrq n THR 172 N -4.36 0.00 -1.71 6.66 -1.04 -1.24 -4.85 114.28 107.74 1nrq n THR 172 Ca -0.41 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 1nrq n THR 172 Cb 0.76 -1.41 0.00 0.00 -1.82 0.00 0.00 70.33 67.86 1nrq n THR 172 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1nrq n ARG 173 N 0.00 0.00 -3.30 -2.82 0.00 -1.26 -5.01 116.66 104.26 1nrq n ARG 173 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.51 1nrq n ARG 173 Cb 0.00 -0.12 -0.06 0.00 -0.00 0.00 0.00 32.46 32.28 1nrq n ARG 173 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1nrq s ILE 174 N 0.00 4.82 -0.28 8.89 1.01 -1.26 -5.02 121.20 129.35 1nrq s ILE 174 Ca 0.00 0.77 -0.27 0.00 0.00 0.00 0.00 60.65 61.15 1nrq s ILE 174 Cb 0.00 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.80 1nrq s ILE 174 CO 0.00 0.03 0.97 -0.60 0.00 0.00 0.00 174.94 175.35 1nrq s ARG 175 N -2.49 4.12 0.10 2.79 3.52 -1.26 -5.03 118.95 120.69 1nrq s ARG 175 Ca 0.45 1.04 -0.09 0.00 -0.13 0.00 0.00 55.73 57.01 1nrq s ARG 175 Cb -0.13 -3.69 -0.06 0.00 -1.56 0.00 0.00 34.95 29.51 1nrq s ARG 175 CO 0.20 -0.73 0.40 0.96 -0.81 0.00 0.00 175.30 175.32 1nrq s ILE 176 N 3.27 5.11 0.09 4.11 -4.36 -1.26 -4.92 121.20 123.24 1nrq s ILE 176 Ca 0.41 0.34 0.05 0.00 -0.26 0.00 0.00 60.65 61.20 1nrq s ILE 176 Cb -0.14 -3.63 -0.04 0.00 1.25 0.00 0.00 42.46 39.90 1nrq s ILE 176 CO 0.11 0.21 -0.02 0.42 0.24 0.00 0.00 174.94 175.90 1nrq s THR 177 N -1.48 3.87 -1.45 8.37 -4.23 -1.26 -4.95 115.64 114.51 1nrq s THR 177 Ca 0.35 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1nrq s THR 177 Cb -0.13 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1nrq s THR 177 CO 0.20 0.13 0.27 -0.90 -0.54 0.00 0.00 174.62 173.77 1nrq n ASP 178 N 0.64 0.00 -0.02 3.99 5.75 -1.26 0.63 116.55 126.28 1nrq n ASP 178 Ca -0.12 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.74 1nrq n ASP 178 Cb 0.52 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.44 1nrq n ASP 178 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1nrq n ASN 179 N -0.73 0.05 -4.83 -1.12 2.85 -1.26 -4.93 115.26 105.29 1nrq n ASN 179 Ca 0.00 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 54.10 1nrq n ASN 179 Cb 0.00 1.84 -0.07 0.00 1.24 0.00 0.00 39.78 42.79 1nrq n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1nrq s MET 180 N -3.35 3.37 -0.02 1.20 -1.94 0.21 -1.16 119.30 117.60 1nrq s MET 180 Ca -0.08 -0.19 0.06 0.00 -1.71 0.00 0.00 55.69 53.77 1nrq s MET 180 Cb 0.13 -3.11 -0.01 0.00 2.01 0.00 0.00 34.83 33.84 1nrq s MET 180 CO 0.89 0.75 -0.20 -0.59 -0.01 0.00 0.00 175.02 175.86 1nrq s PHE 181 N -0.96 1.83 -0.15 -0.03 -0.12 0.60 -4.77 117.98 114.39 1nrq s PHE 181 Ca 0.14 -0.38 -0.02 0.00 -0.05 0.00 0.00 56.93 56.62 1nrq s PHE 181 Cb -0.12 -1.19 -0.02 0.00 -0.63 0.00 0.00 43.02 41.06 1nrq s PHE 181 CO 0.03 -0.06 -0.07 0.00 -0.05 0.00 0.00 175.22 175.08 1nrq n ALA 183 N 3.59 0.00 0.00 0.00 0.00 -1.06 -3.09 120.51 119.96 1nrq n ALA 183 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1nrq n ALA 183 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1nrq n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nrq n GLY 184 N 5.00 -1.81 3.07 0.00 0.00 -1.19 -3.51 105.19 106.74 1nrq n GLY 184 Ca 0.00 -1.26 -0.21 0.00 0.00 0.00 0.00 46.02 44.55 1nrq n GLY 184 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nrq n TYR 184 N -0.31 -2.31 -3.45 1.61 4.02 -1.26 -4.83 117.16 110.64 1nrq n TYR 184 Ca 0.00 -0.04 -0.20 0.00 -0.01 0.00 0.00 57.90 57.65 1nrq n TYR 184 Cb 0.00 -1.41 -0.02 0.00 -0.02 0.00 0.00 39.34 37.90 1nrq n TYR 184 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1nrq s LYS 185 N -3.55 2.56 0.06 -0.72 1.02 -1.26 -4.88 119.74 112.96 1nrq s LYS 185 Ca 0.41 -1.52 -0.31 0.00 0.02 0.00 0.00 55.97 54.57 1nrq s LYS 185 Cb -0.07 -2.45 -0.18 0.00 -0.52 0.00 0.00 37.83 34.61 1nrq s LYS 185 CO 0.40 -0.28 1.52 -1.35 -0.92 0.00 0.00 175.35 174.73 1nrq h PRO 186 N 0.88 -0.79 -0.76 -1.68 0.11 -1.92 -3.14 132.00 124.70 1nrq h PRO 186 Ca -0.40 0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 1nrq h PRO 186 Cb 1.27 0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.53 1nrq h PRO 186 CO 0.54 -0.50 0.31 -0.44 -0.21 0.00 0.00 178.00 177.71 1nrq h ASP 186 N -0.90 1.04 -1.03 -2.05 3.32 -1.98 -3.29 116.42 111.53 1nrq h ASP 186 Ca -0.08 -0.17 0.38 0.00 0.02 0.00 0.00 57.03 57.18 1nrq h ASP 186 Cb 0.66 -0.27 -0.16 0.00 0.22 0.00 0.00 39.33 39.77 1nrq h ASP 186 CO 0.14 0.92 0.58 -0.33 -1.72 0.00 0.00 179.24 178.83 1nrq h GLU 186 N 1.09 0.13 -3.38 3.56 5.08 -1.95 -3.46 114.58 115.65 1nrq h GLU 186 Ca 0.25 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1nrq h GLU 186 Cb 0.20 -0.03 0.03 0.00 0.50 0.00 0.00 28.75 29.45 1nrq h GLU 186 CO -0.02 0.09 -0.12 0.41 -1.00 0.00 0.00 179.01 178.36 1nrq n GLY 186 N -1.30 0.47 0.00 -3.84 0.00 -1.24 -5.01 105.19 94.27 1nrq n GLY 186 Ca 0.36 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1nrq n GLY 186 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nrq n LYS 186 N -1.70 0.00 -4.61 1.61 3.00 -1.26 -5.15 118.16 110.05 1nrq n LYS 186 Ca -0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.02 1nrq n LYS 186 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.44 1nrq n LYS 186 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1nrq s ARG 187 N -0.73 1.94 0.00 1.64 1.70 -1.26 -4.59 118.95 117.64 1nrq s ARG 187 Ca 0.00 -2.08 0.00 0.00 -0.47 0.00 0.00 55.73 53.18 1nrq s ARG 187 Cb 0.00 -1.65 0.00 0.00 -0.57 0.00 0.00 34.95 32.73 1nrq s ARG 187 CO 0.00 -0.02 0.00 0.41 -1.08 0.00 0.00 175.30 174.61 1nrq n GLY 188 N -0.94 1.98 0.00 3.88 0.00 -1.26 -4.82 105.19 104.03 1nrq n GLY 188 Ca -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1nrq n GLY 188 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nrq n ASP 189 N 0.00 0.00 -4.64 1.61 -0.08 -0.61 -4.75 116.55 108.09 1nrq n ASP 189 Ca 0.00 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 52.89 1nrq n ASP 189 Cb 0.00 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.38 1nrq n ASP 189 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nrq s ALA 190 N -0.96 3.57 0.00 -1.67 0.00 -1.26 0.17 121.76 121.61 1nrq s ALA 190 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1nrq s ALA 190 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.41 1nrq s ALA 190 CO 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 175.76 175.26 1nrq n GLU 192 N -0.76 0.00 -0.56 0.00 2.13 -1.26 0.37 120.64 120.55 1nrq n GLU 192 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1nrq n GLU 192 Cb 0.00 -1.13 0.00 0.00 0.27 0.00 0.00 31.44 30.58 1nrq n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nrq n GLY 193 N 1.90 1.84 0.13 8.31 0.00 -1.26 -1.14 105.19 114.97 1nrq n GLY 193 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 1nrq n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nrq h ASP 194 N 0.00 0.02 -1.11 1.61 3.32 0.62 -3.38 116.42 117.50 1nrq h ASP 194 Ca 0.00 -0.02 -0.55 0.00 0.02 0.00 0.00 57.03 56.49 1nrq h ASP 194 Cb 0.00 -0.01 0.11 0.00 0.22 0.00 0.00 39.33 39.65 1nrq h ASP 194 CO 0.00 0.68 -0.62 -0.24 -1.72 0.00 0.00 179.24 177.35 1nrq n SER 195 N -3.76 -1.70 0.00 6.45 2.88 -1.24 -2.48 113.62 113.77 1nrq n SER 195 Ca -0.01 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 1nrq n SER 195 Cb 0.66 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 1nrq n SER 195 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nrq n GLY 196 N 1.82 0.60 3.85 0.46 0.00 -1.18 -2.19 105.19 108.56 1nrq n GLY 196 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1nrq n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nrq s GLY 197 N -2.00 1.80 0.57 -0.02 0.00 -1.04 -3.35 107.32 103.29 1nrq s GLY 197 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 44.72 44.63 1nrq s GLY 197 CO 0.00 0.31 0.99 2.56 0.00 0.00 0.00 173.10 176.97 1nrq s PRO 198 N -4.78 3.72 -0.50 2.90 0.04 -1.26 -1.75 135.00 133.37 1nrq s PRO 198 Ca 0.57 0.78 0.07 0.00 0.04 0.00 0.00 61.00 62.46 1nrq s PRO 198 Cb -0.11 -2.12 0.26 0.00 0.04 0.00 0.00 34.50 32.56 1nrq s PRO 198 CO 0.47 -0.44 0.64 0.34 0.04 0.00 0.00 177.00 178.05 1nrq n PHE 199 N -2.30 1.47 -2.63 0.56 -0.00 -1.01 -3.65 117.46 109.90 1nrq n PHE 199 Ca 0.06 -3.83 -0.41 0.00 -0.00 0.00 0.00 57.45 53.26 1nrq n PHE 199 Cb 0.54 -0.44 -0.04 0.00 -0.00 0.00 0.00 39.48 39.54 1nrq n PHE 199 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 1nrq s VAL 200 N -1.92 4.37 0.02 -2.13 -7.23 -1.12 0.11 120.40 112.51 1nrq s VAL 200 Ca 0.38 1.87 0.07 0.00 -1.81 0.00 0.00 61.98 62.49 1nrq s VAL 200 Cb 0.18 -4.20 -0.02 0.00 0.56 0.00 0.00 36.38 32.90 1nrq s VAL 200 CO -0.07 0.24 -0.21 -0.32 -0.31 0.00 0.00 175.10 174.43 1nrq s MET 201 N 0.31 1.54 -0.23 4.82 1.75 -0.75 -2.46 119.30 124.27 1nrq s MET 201 Ca 0.50 -0.87 -0.10 0.00 -1.25 0.00 0.00 55.69 53.97 1nrq s MET 201 Cb -0.25 -1.59 -0.05 0.00 2.84 0.00 0.00 34.83 35.79 1nrq s MET 201 CO 0.30 0.42 0.13 0.21 -0.65 0.00 0.00 175.02 175.44 1nrq s LYS 202 N -0.91 4.02 -0.21 4.11 2.20 -1.26 0.68 119.74 128.36 1nrq s LYS 202 Ca 0.08 -0.30 -0.29 0.00 -0.36 0.00 0.00 55.97 55.10 1nrq s LYS 202 Cb -0.09 -3.46 0.01 0.00 -1.51 0.00 0.00 37.83 32.78 1nrq s LYS 202 CO 0.01 0.08 1.05 0.45 -0.36 0.00 0.00 175.35 176.58 1nrq s SER 203 N 0.98 7.10 0.45 1.43 0.15 -0.02 -4.93 113.70 118.87 1nrq s SER 203 Ca 0.07 1.42 0.25 0.00 0.70 0.00 0.00 55.95 58.39 1nrq s SER 203 Cb -0.13 -2.54 0.73 0.00 -1.71 0.00 0.00 66.02 62.36 1nrq s SER 203 CO 0.04 -0.66 1.74 1.55 1.20 0.00 0.00 173.24 177.11 1nrq h PRO 204 N 7.48 0.00 0.00 5.44 0.13 -1.95 0.27 132.00 143.36 1nrq h PRO 204 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1nrq h PRO 204 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1nrq h PRO 204 CO 0.97 0.11 0.00 1.19 -0.23 0.00 0.00 178.00 180.04 1nrq n PHE 204 N -3.17 0.00 0.05 1.56 3.72 -1.26 -4.24 117.46 114.12 1nrq n PHE 204 Ca 0.02 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.51 1nrq n PHE 204 Cb 0.47 -0.08 0.27 0.00 -0.94 0.00 0.00 39.48 39.20 1nrq n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1nrq n ASN 204 N -0.74 3.35 -4.19 4.37 2.04 -1.25 -4.93 115.26 113.91 1nrq n ASN 204 Ca 0.00 -2.10 -0.36 0.00 -0.44 0.00 0.00 54.58 51.68 1nrq n ASN 204 Cb 0.00 -0.43 -0.02 0.00 -2.53 0.00 0.00 39.78 36.80 1nrq n ASN 204 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1nrq n ASN 205 N 1.12 -3.53 -4.98 0.53 2.04 0.94 -4.96 115.26 106.43 1nrq n ASN 205 Ca 0.20 -0.98 -0.20 0.00 -0.44 0.00 0.00 54.58 53.15 1nrq n ASN 205 Cb 0.56 -2.89 -0.00 0.00 -2.53 0.00 0.00 39.78 34.92 1nrq n ASN 205 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1nrq s ARG 206 N -6.90 3.18 -0.31 -3.83 3.00 -1.16 -4.86 118.95 108.08 1nrq s ARG 206 Ca 0.74 -0.83 -0.11 0.00 0.00 0.00 0.00 55.73 55.54 1nrq s ARG 206 Cb -0.40 -2.77 -0.02 0.00 0.00 0.00 0.00 34.95 31.75 1nrq s ARG 206 CO 0.92 0.06 0.18 -1.58 0.00 0.00 0.00 175.30 174.88 1nrq s TRP 207 N -2.23 3.20 -0.30 -0.53 0.52 -1.26 -0.84 118.94 117.51 1nrq s TRP 207 Ca 0.44 -0.24 -0.02 0.00 0.02 0.00 0.00 56.10 56.30 1nrq s TRP 207 Cb -0.10 -2.39 0.05 0.00 -1.15 0.00 0.00 33.47 29.88 1nrq s TRP 207 CO 0.32 -0.33 -0.01 0.71 0.02 0.00 0.00 176.95 177.66 1nrq s TYR 208 N 1.69 3.25 -0.71 -1.98 1.51 0.21 -3.93 117.35 117.40 1nrq s TYR 208 Ca 0.06 -1.87 -0.26 0.00 -1.01 0.00 0.00 57.07 53.99 1nrq s TYR 208 Cb -0.17 -2.10 -0.09 0.00 -0.11 0.00 0.00 41.96 39.50 1nrq s TYR 208 CO 0.09 -0.80 2.27 -1.14 -1.11 0.00 0.00 175.55 174.85 1nrq s GLN 209 N 1.25 2.01 0.31 -0.62 0.74 -1.08 -1.81 119.66 120.47 1nrq s GLN 209 Ca -0.05 0.61 0.17 0.00 0.05 0.00 0.00 55.36 56.14 1nrq s GLN 209 Cb -0.20 -4.74 0.15 0.00 1.10 0.00 0.00 33.01 29.33 1nrq s GLN 209 CO -0.01 -3.76 1.49 0.52 -0.55 0.00 0.00 175.29 172.98 1nrq h MET 210 N 14.60 0.00 0.00 1.67 2.86 0.49 -3.42 114.93 131.13 1nrq h MET 210 Ca -0.08 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1nrq h MET 210 Cb 1.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 1nrq h MET 210 CO 1.11 0.41 0.02 0.41 1.06 0.00 0.00 176.91 179.92 1nrq n GLY 211 N 1.15 2.25 2.95 8.32 0.00 -0.95 -2.90 105.19 116.02 1nrq n GLY 211 Ca 0.02 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 1nrq n GLY 211 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nrq s ILE 212 N -2.65 -0.04 -0.20 -0.61 1.01 -1.18 -2.40 121.20 115.13 1nrq s ILE 212 Ca 0.06 0.15 -0.28 0.00 0.00 0.00 0.00 60.65 60.57 1nrq s ILE 212 Cb -0.01 -0.25 -0.05 0.00 0.01 0.00 0.00 42.46 42.16 1nrq s ILE 212 CO 0.05 0.06 2.10 -0.69 0.00 0.00 0.00 174.94 176.46 1nrq s VAL 213 N 1.00 3.11 -0.08 2.92 1.01 -0.71 -0.14 120.40 127.50 1nrq s VAL 213 Ca -0.08 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 1nrq s VAL 213 Cb -0.10 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1nrq s VAL 213 CO -0.05 -0.07 -0.22 -0.24 0.00 0.00 0.00 175.10 174.52 1nrq n SER 214 N 10.84 1.56 -0.33 3.32 2.88 -1.00 -3.08 113.62 127.81 1nrq n SER 214 Ca 0.27 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1nrq n SER 214 Cb 0.45 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 1nrq n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1nrq n TRP 215 N -4.03 -0.19 0.00 0.66 4.27 -0.86 -5.00 117.44 112.28 1nrq n TRP 215 Ca -0.09 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.52 1nrq n TRP 215 Cb 0.33 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.28 1nrq n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1nrq n GLY 216 N 0.00 4.98 3.35 -1.67 0.00 -1.26 -1.80 105.19 108.78 1nrq n GLY 216 Ca 0.00 -0.93 -0.46 0.00 0.00 0.00 0.00 46.02 44.63 1nrq n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nrq s GLU 217 N -4.88 3.78 0.00 1.61 8.01 -1.26 -4.94 118.70 121.02 1nrq s GLU 217 Ca 0.00 -2.60 0.00 0.00 0.01 0.00 0.00 54.97 52.38 1nrq s GLU 217 Cb 0.00 -4.54 0.00 0.00 -4.31 0.00 0.00 34.13 25.28 1nrq s GLU 217 CO 0.00 -1.35 0.00 0.41 0.01 0.00 0.00 175.26 174.33 1nrq n GLY 219 N 3.79 0.75 2.70 -1.39 0.00 -1.26 -5.00 105.19 104.78 1nrq n GLY 219 Ca 0.19 -1.69 -0.04 0.00 0.00 0.00 0.00 46.02 44.47 1nrq n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nrq n ASP 221 N 2.57 -2.63 -4.79 0.00 2.03 -1.26 -4.59 116.55 107.87 1nrq n ASP 221 Ca 0.13 -0.13 -0.38 0.00 0.52 0.00 0.00 54.79 54.93 1nrq n ASP 221 Cb 0.63 -1.37 -0.06 0.00 -0.72 0.00 0.00 41.12 39.59 1nrq n ASP 221 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1nrq s ARG 221 N -3.53 4.16 -1.12 -0.67 3.52 -1.26 -4.99 118.95 115.06 1nrq s ARG 221 Ca 0.06 0.59 -0.24 0.00 -0.13 0.00 0.00 55.73 56.01 1nrq s ARG 221 Cb -0.01 -3.29 -0.11 0.00 -1.56 0.00 0.00 34.95 29.99 1nrq s ARG 221 CO 0.14 0.53 1.98 -0.51 -0.81 0.00 0.00 175.30 176.63 1nrq s ASP 222 N -0.64 4.72 0.00 -2.12 1.11 -1.26 -2.93 116.67 115.55 1nrq s ASP 222 Ca 0.27 -1.35 0.00 0.00 0.18 0.00 0.00 52.55 51.65 1nrq s ASP 222 Cb -0.18 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.23 1nrq s ASP 222 CO 0.15 -3.37 0.00 0.61 1.18 0.00 0.00 175.17 173.75 1nrq n GLY 223 N 6.04 -0.02 3.26 0.21 0.00 -1.26 -4.94 105.19 108.49 1nrq n GLY 223 Ca 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 1nrq n GLY 223 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nrq s LYS 224 N 0.00 0.95 0.26 1.61 2.20 -1.15 -4.77 119.74 118.85 1nrq s LYS 224 Ca 0.00 -0.80 0.10 0.00 -0.36 0.00 0.00 55.97 54.91 1nrq s LYS 224 Cb 0.00 0.40 -0.05 0.00 -1.51 0.00 0.00 37.83 36.67 1nrq s LYS 224 CO 0.00 -0.34 -0.17 0.71 -0.36 0.00 0.00 175.35 175.19 1nrq s TYR 225 N -3.73 2.12 0.87 4.03 1.51 -1.26 -4.55 117.35 116.33 1nrq s TYR 225 Ca 0.03 -0.42 -0.13 0.00 -1.01 0.00 0.00 57.07 55.54 1nrq s TYR 225 Cb 0.03 -0.96 0.12 0.00 -0.11 0.00 0.00 41.96 41.04 1nrq s TYR 225 CO -0.11 0.59 1.21 0.20 -1.11 0.00 0.00 175.55 176.33 1nrq s GLY 226 N -3.46 1.64 -0.01 0.71 0.00 -1.23 -4.83 107.32 100.14 1nrq s GLY 226 Ca 0.28 -0.78 0.04 0.00 0.00 0.00 0.00 44.72 44.26 1nrq s GLY 226 CO 0.13 -0.20 -0.12 -1.36 0.00 0.00 0.00 173.10 171.54 1nrq s PHE 227 N -3.61 1.14 0.40 1.90 0.40 -0.75 -2.56 117.98 114.91 1nrq s PHE 227 Ca 0.65 -0.23 0.03 0.00 -0.60 0.00 0.00 56.93 56.79 1nrq s PHE 227 Cb -0.10 -0.75 -0.04 0.00 0.51 0.00 0.00 43.02 42.65 1nrq s PHE 227 CO 0.51 -0.04 0.08 0.71 0.70 0.00 0.00 175.22 177.18 1nrq s TYR 228 N -0.21 1.88 -0.14 0.36 1.51 0.28 -2.04 117.35 118.99 1nrq s TYR 228 Ca 0.03 -1.11 -0.12 0.00 -1.01 0.00 0.00 57.07 54.87 1nrq s TYR 228 Cb -0.06 -1.29 -0.05 0.00 -0.11 0.00 0.00 41.96 40.46 1nrq s TYR 228 CO -0.00 -0.09 0.24 0.95 -1.11 0.00 0.00 175.55 175.53 1nrq s THR 229 N -3.17 5.34 -0.57 -0.71 -4.23 0.81 -0.29 115.64 112.82 1nrq s THR 229 Ca 0.26 0.43 -0.25 0.00 -1.18 0.00 0.00 61.69 60.95 1nrq s THR 229 Cb 0.05 -3.56 -0.26 0.00 1.34 0.00 0.00 72.50 70.07 1nrq s THR 229 CO 0.13 0.47 1.76 1.57 -0.54 0.00 0.00 174.62 178.01 1nrq n HIS 230 N 3.05 0.47 0.29 3.99 -0.00 -0.31 -3.08 115.22 119.64 1nrq n HIS 230 Ca -0.15 -0.26 0.00 0.00 0.46 0.00 0.00 57.72 57.78 1nrq n HIS 230 Cb 0.53 -1.69 0.00 0.00 -0.12 0.00 0.00 29.99 28.71 1nrq n HIS 230 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1nrq n VAL 231 N 7.74 0.00 -0.01 3.57 0.31 -1.14 -2.86 118.33 125.94 1nrq n VAL 231 Ca 0.38 0.93 -0.01 0.00 -0.01 0.00 0.00 64.34 65.63 1nrq n VAL 231 Cb 0.44 -1.89 -0.00 0.00 -0.91 0.00 0.00 33.84 31.48 1nrq n VAL 231 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1nrq n PHE 232 N -2.32 0.07 -0.24 3.52 7.35 -1.26 -3.29 117.46 121.29 1nrq n PHE 232 Ca 0.00 0.03 -0.02 0.00 -0.76 0.00 0.00 57.45 56.70 1nrq n PHE 232 Cb 0.93 -0.25 -0.00 0.00 0.35 0.00 0.00 39.48 40.51 1nrq n PHE 232 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1nrq n ARG 233 N -2.54 -0.18 0.00 -4.13 1.74 -1.13 0.81 116.66 111.23 1nrq n ARG 233 Ca -0.01 0.93 0.00 0.00 -0.77 0.00 0.00 57.85 58.00 1nrq n ARG 233 Cb 0.03 -1.37 0.03 0.00 -1.02 0.00 0.00 32.46 30.13 1nrq n ARG 233 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1nrq n LEU 234 N -4.85 0.00 0.30 0.55 4.77 -1.24 -3.21 117.00 113.32 1nrq n LEU 234 Ca 0.05 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.22 1nrq n LEU 234 Cb 0.22 0.00 0.90 0.00 -2.33 0.00 0.00 43.42 42.21 1nrq n LEU 234 CO -0.09 0.00 1.07 0.50 -1.33 0.00 0.00 177.39 177.54 1nrq h LYS 235 N 0.00 0.00 0.42 3.23 1.63 3.21 -1.33 116.57 123.74 1nrq h LYS 235 Ca 0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1nrq h LYS 235 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1nrq h LYS 235 CO 0.00 0.01 -0.20 0.87 -3.45 0.00 0.00 179.45 176.67 1nrq h LYS 236 N 0.00 -0.54 0.62 1.90 1.57 -1.65 -3.34 116.57 115.12 1nrq h LYS 236 Ca -0.00 0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1nrq h LYS 236 Cb 0.30 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1nrq h LYS 236 CO 0.00 -0.36 -0.40 2.35 -0.57 0.00 0.00 179.45 180.47 1nrq h TRP 237 N -0.82 -1.07 0.00 -1.35 7.01 -1.80 -3.55 115.95 114.37 1nrq h TRP 237 Ca -0.06 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.93 1nrq h TRP 237 Cb 0.43 0.39 0.00 0.00 -2.10 0.00 0.00 29.16 27.88 1nrq h TRP 237 CO 0.05 -0.60 0.00 -0.89 -2.79 0.00 0.00 178.44 174.21