#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nq3 n ILE 2 N 0.00 0.00 -2.67 -0.08 0.13 -1.26 -4.73 119.36 110.76 3nq3 n ILE 2 Ca 0.00 0.00 -0.43 0.00 -1.10 0.00 0.00 62.75 61.22 3nq3 n ILE 2 Cb 0.00 0.19 -0.02 0.00 -0.84 0.00 0.00 39.64 38.97 3nq3 n ILE 2 CO 0.00 0.00 0.00 -0.69 2.80 0.00 0.00 176.55 178.66 3nq3 s VAL 3 N 0.00 4.46 -0.35 9.51 1.01 -1.26 -4.86 120.40 128.91 3nq3 s VAL 3 Ca 0.00 1.50 0.06 0.00 0.00 0.00 0.00 61.98 63.55 3nq3 s VAL 3 Cb 0.00 -4.44 0.44 0.00 0.00 0.00 0.00 36.38 32.38 3nq3 s VAL 3 CO 0.00 -0.61 1.16 0.35 0.00 0.00 0.00 175.10 176.00 3nq3 n THR 4 N 6.11 2.46 -3.87 3.92 -2.24 -1.26 -4.91 114.28 114.49 3nq3 n THR 4 Ca 0.11 -4.49 -0.26 0.00 -2.27 0.00 0.00 64.05 57.14 3nq3 n THR 4 Cb 0.48 -1.18 -0.17 0.00 -2.10 0.00 0.00 70.33 67.36 3nq3 n THR 4 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3nq3 s GLN 5 N -3.58 1.27 -0.06 -0.78 -0.21 -1.26 -5.12 119.66 109.92 3nq3 s GLN 5 Ca 0.50 -0.16 -0.15 0.00 0.02 0.00 0.00 55.36 55.57 3nq3 s GLN 5 Cb 0.41 -1.42 0.03 0.00 1.00 0.00 0.00 33.01 33.02 3nq3 s GLN 5 CO -0.05 -0.28 0.35 -0.08 -2.12 0.00 0.00 175.29 173.12 3nq3 s THR 6 N 1.78 0.03 -0.04 -0.19 -1.32 -1.26 -4.48 115.64 110.16 3nq3 s THR 6 Ca 0.05 -0.27 -0.19 0.00 -1.21 0.00 0.00 61.69 60.07 3nq3 s THR 6 Cb -0.12 -0.60 -0.05 0.00 -1.51 0.00 0.00 72.50 70.21 3nq3 s THR 6 CO -0.07 -0.15 0.52 0.00 -2.21 0.00 0.00 174.62 172.71 3nq3 s MET 7 N -0.74 4.26 0.09 7.08 0.23 -0.64 -4.88 119.30 124.70 3nq3 s MET 7 Ca -0.08 0.58 -0.25 0.00 -1.03 0.00 0.00 55.69 54.91 3nq3 s MET 7 Cb -0.04 -3.35 -0.06 0.00 -1.53 0.00 0.00 34.83 29.84 3nq3 s MET 7 CO 0.03 0.36 0.77 0.15 -2.03 0.00 0.00 175.02 174.30 3nq3 s LYS 8 N -0.08 4.52 0.00 3.16 1.02 -1.26 -4.10 119.74 123.00 3nq3 s LYS 8 Ca 0.28 1.10 0.00 0.00 0.02 0.00 0.00 55.97 57.37 3nq3 s LYS 8 Cb -0.17 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 3nq3 s LYS 8 CO 0.14 0.39 0.00 0.41 -0.92 0.00 0.00 175.35 175.37 3nq3 n GLY 9 N 2.09 0.58 3.65 -3.33 0.00 -1.26 -4.99 105.19 101.93 3nq3 n GLY 9 Ca -0.04 -0.52 -0.50 0.00 0.00 0.00 0.00 46.02 44.97 3nq3 n GLY 9 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3nq3 n LEU 10 N 0.00 2.64 -4.15 0.99 7.94 -1.26 -4.97 117.00 118.20 3nq3 n LEU 10 Ca 0.00 1.07 -0.38 0.00 -1.11 0.00 0.00 56.01 55.59 3nq3 n LEU 10 Cb 0.00 -1.30 -0.10 0.00 0.53 0.00 0.00 43.42 42.55 3nq3 n LEU 10 CO 0.00 -0.48 -0.07 -0.62 -1.11 0.00 0.00 177.39 175.11 3nq3 s ASP 11 N 1.82 5.43 0.45 1.96 -1.08 -1.26 -4.93 116.67 119.06 3nq3 s ASP 11 Ca 0.86 -2.18 0.21 0.00 -0.52 0.00 0.00 52.55 50.91 3nq3 s ASP 11 Cb -0.82 -1.90 1.09 0.00 -1.46 0.00 0.00 42.92 39.84 3nq3 s ASP 11 CO 0.47 -0.55 1.95 -0.29 0.52 0.00 0.00 175.17 177.27 3nq3 h ILE 12 N 6.03 0.86 -0.17 4.11 6.09 -1.93 -2.48 117.51 130.02 3nq3 h ILE 12 Ca -0.12 -0.86 -0.02 0.00 -1.37 0.00 0.00 64.86 62.49 3nq3 h ILE 12 Cb 1.04 1.51 -0.01 0.00 0.47 0.00 0.00 36.82 39.82 3nq3 h ILE 12 CO 0.75 0.22 0.01 1.56 -3.07 0.00 0.00 178.15 177.62 3nq3 h GLN 13 N 0.00 0.24 -0.00 2.19 1.08 -1.94 -2.61 115.11 114.06 3nq3 h GLN 13 Ca -0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3nq3 h GLN 13 Cb 0.49 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 3nq3 h GLN 13 CO 0.03 0.26 0.00 1.63 -0.95 0.00 0.00 178.83 179.80 3nq3 n LYS 14 N -4.40 1.09 -0.01 1.46 5.02 -0.93 -2.89 118.16 117.50 3nq3 n LYS 14 Ca -0.00 -0.14 0.13 0.00 -2.02 0.00 0.00 58.31 56.28 3nq3 n LYS 14 Cb 0.16 -1.47 0.27 0.00 -0.02 0.00 0.00 35.03 33.97 3nq3 n LYS 14 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3nq3 n VAL 15 N -0.81 0.03 -1.81 -0.18 0.24 -0.98 -4.75 118.33 110.07 3nq3 n VAL 15 Ca 0.22 -0.42 -0.37 0.00 -2.04 0.00 0.00 64.34 61.73 3nq3 n VAL 15 Cb 0.14 1.08 0.06 0.00 -1.47 0.00 0.00 33.84 33.65 3nq3 n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3nq3 s ALA 16 N -1.97 2.49 0.00 2.33 0.00 -1.14 -4.65 121.76 118.83 3nq3 s ALA 16 Ca 0.32 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.48 3nq3 s ALA 16 Cb 0.20 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3nq3 s ALA 16 CO 0.31 -1.46 0.00 0.41 0.00 0.00 0.00 175.76 175.02 3nq3 n GLY 17 N 0.79 0.37 3.72 0.00 0.00 0.83 -4.89 105.19 106.00 3nq3 n GLY 17 Ca 0.14 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 3nq3 n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3nq3 s THR 18 N 0.00 4.66 0.15 2.61 2.01 -1.26 -0.61 115.64 123.21 3nq3 s THR 18 Ca 0.00 1.99 0.03 0.00 0.31 0.00 0.00 61.69 64.02 3nq3 s THR 18 Cb 0.00 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 3nq3 s THR 18 CO 0.00 0.20 -0.07 0.26 -0.69 0.00 0.00 174.62 174.32 3nq3 s TRP 19 N 0.72 1.20 -0.07 4.92 0.52 -0.94 -4.60 118.94 120.69 3nq3 s TRP 19 Ca 0.51 -0.86 0.03 0.00 0.02 0.00 0.00 56.10 55.81 3nq3 s TRP 19 Cb -0.23 -0.65 0.01 0.00 -1.15 0.00 0.00 33.47 31.45 3nq3 s TRP 19 CO 0.29 -0.03 -0.15 0.71 0.02 0.00 0.00 176.95 177.78 3nq3 s TYR 20 N -3.46 1.72 -1.15 -1.98 2.02 0.63 -4.25 117.35 110.87 3nq3 s TYR 20 Ca 0.18 -0.63 -0.22 0.00 -0.37 0.00 0.00 57.07 56.04 3nq3 s TYR 20 Cb 0.04 -1.21 -0.01 0.00 -0.40 0.00 0.00 41.96 40.38 3nq3 s TYR 20 CO 0.01 -0.28 1.81 -1.12 -1.57 0.00 0.00 175.55 174.39 3nq3 s SER 21 N 0.47 5.81 0.17 2.29 0.01 -1.26 -1.13 113.70 120.07 3nq3 s SER 21 Ca -0.13 -1.72 -0.09 0.00 1.31 0.00 0.00 55.95 55.31 3nq3 s SER 21 Cb -0.15 -2.58 0.05 0.00 0.21 0.00 0.00 66.02 63.55 3nq3 s SER 21 CO 0.04 -2.22 1.61 0.25 0.41 0.00 0.00 173.24 173.34 3nq3 h LEU 22 N 15.48 1.05 -7.68 2.44 5.85 -1.54 -3.44 115.31 127.46 3nq3 h LEU 22 Ca 0.27 -0.33 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 3nq3 h LEU 22 Cb 0.94 -0.29 -0.15 0.00 0.37 0.00 0.00 40.66 41.53 3nq3 h LEU 22 CO 1.32 1.14 -0.31 0.00 -0.34 0.00 0.00 178.44 180.25 3nq3 s ALA 23 N -4.92 -0.45 0.01 1.25 0.00 -1.10 -1.32 121.76 115.23 3nq3 s ALA 23 Ca -0.12 -0.33 -0.07 0.00 0.00 0.00 0.00 51.96 51.45 3nq3 s ALA 23 Cb 0.13 0.42 -0.00 0.00 0.00 0.00 0.00 23.12 23.67 3nq3 s ALA 23 CO 0.86 -0.47 0.13 -1.64 0.00 0.00 0.00 175.76 174.64 3nq3 s MET 24 N -3.24 0.48 -0.01 0.00 -1.94 -0.38 -1.51 119.30 112.71 3nq3 s MET 24 Ca 0.00 -0.44 -0.10 0.00 -1.71 0.00 0.00 55.69 53.44 3nq3 s MET 24 Cb 0.02 0.20 0.01 0.00 2.01 0.00 0.00 34.83 37.07 3nq3 s MET 24 CO -0.08 -0.11 0.21 0.00 -0.01 0.00 0.00 175.02 175.02 3nq3 s ALA 25 N -1.47 -0.51 0.10 3.03 0.00 -0.21 -0.08 121.76 122.63 3nq3 s ALA 25 Ca -0.14 0.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.80 3nq3 s ALA 25 Cb -0.07 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 3nq3 s ALA 25 CO 0.01 -0.23 0.16 0.00 0.00 0.00 0.00 175.76 175.70 3nq3 s ALA 26 N -1.33 0.03 0.22 0.00 0.00 -0.51 -0.58 121.76 119.58 3nq3 s ALA 26 Ca -0.14 -0.84 0.09 0.00 0.00 0.00 0.00 51.96 51.07 3nq3 s ALA 26 Cb -0.07 0.56 0.17 0.00 0.00 0.00 0.00 23.12 23.78 3nq3 s ALA 26 CO 0.03 -0.51 1.50 0.66 0.00 0.00 0.00 175.76 177.43 3nq3 h SER 27 N 2.79 0.03 -4.02 0.00 4.64 -0.96 0.73 113.55 116.75 3nq3 h SER 27 Ca -0.34 -0.02 -0.66 0.00 -0.47 0.00 0.00 61.79 60.30 3nq3 h SER 27 Cb 1.19 -0.01 -0.31 0.00 -0.31 0.00 0.00 62.40 62.96 3nq3 h SER 27 CO 0.57 0.76 -0.88 -0.62 -0.87 0.00 0.00 176.83 175.79 3nq3 s ASP 28 N -6.82 2.88 0.20 4.97 3.68 -1.26 -3.83 116.67 116.49 3nq3 s ASP 28 Ca -0.01 -0.48 -0.11 0.00 2.13 0.00 0.00 52.55 54.08 3nq3 s ASP 28 Cb 0.12 -0.77 0.25 0.00 -1.45 0.00 0.00 42.92 41.07 3nq3 s ASP 28 CO 0.79 0.23 1.70 0.40 0.13 0.00 0.00 175.17 178.42 3nq3 h ILE 29 N 5.07 0.66 0.00 4.11 2.04 -1.83 -2.18 117.51 125.37 3nq3 h ILE 29 Ca -0.32 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3nq3 h ILE 29 Cb 1.17 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3nq3 h ILE 29 CO 0.47 0.04 0.00 -1.54 0.00 0.00 0.00 178.15 177.12 3nq3 n SER 30 N -5.14 0.42 0.18 1.72 3.41 -1.26 -1.27 113.62 111.69 3nq3 n SER 30 Ca 0.07 0.68 0.04 0.00 -0.26 0.00 0.00 58.87 59.40 3nq3 n SER 30 Cb 0.29 -0.74 0.31 0.00 -0.26 0.00 0.00 64.21 63.81 3nq3 n SER 30 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3nq3 h LEU 31 N 0.00 0.00 -0.17 1.04 3.38 -1.80 -3.36 115.31 114.40 3nq3 h LEU 31 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3nq3 h LEU 31 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3nq3 h LEU 31 CO 0.00 0.42 0.00 0.18 0.09 0.00 0.00 178.44 179.13 3nq3 n LEU 32 N -3.62 0.17 0.30 1.67 4.77 -0.72 -1.74 117.00 117.82 3nq3 n LEU 32 Ca -0.01 -0.44 -0.12 0.00 -0.03 0.00 0.00 56.01 55.41 3nq3 n LEU 32 Cb 0.52 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 3nq3 n LEU 32 CO 0.38 0.04 0.36 -2.24 -1.33 0.00 0.00 177.39 174.60 3nq3 h ASP 33 N 0.00 -0.67 -4.22 -1.43 2.03 -1.33 -3.44 116.42 107.36 3nq3 h ASP 33 Ca 0.00 0.02 -0.51 0.00 -0.73 0.00 0.00 57.03 55.81 3nq3 h ASP 33 Cb 0.03 0.17 0.12 0.00 -0.83 0.00 0.00 39.33 38.82 3nq3 h ASP 33 CO 0.00 -0.34 0.36 0.00 -1.03 0.00 0.00 179.24 178.23 3nq3 s ALA 34 N -4.59 2.35 0.41 4.15 0.00 -1.26 -4.89 121.76 117.93 3nq3 s ALA 34 Ca -0.11 0.52 0.12 0.00 0.00 0.00 0.00 51.96 52.49 3nq3 s ALA 34 Cb 0.01 -3.33 0.96 0.00 0.00 0.00 0.00 23.12 20.76 3nq3 s ALA 34 CO 0.34 -1.50 1.97 0.37 0.00 0.00 0.00 175.76 176.94 3nq3 h GLN 35 N -0.32 0.48 -0.74 0.00 4.15 -1.97 -1.43 115.11 115.27 3nq3 h GLN 35 Ca -0.46 -0.03 -0.30 0.00 0.77 0.00 0.00 58.65 58.63 3nq3 h GLN 35 Cb 1.25 -0.11 -0.18 0.00 0.21 0.00 0.00 27.48 28.65 3nq3 h GLN 35 CO 0.53 0.32 0.34 -1.13 -1.93 0.00 0.00 178.83 176.95 3nq3 n SER 36 N -4.48 4.06 -4.75 -0.69 3.41 -1.26 -4.42 113.62 105.49 3nq3 n SER 36 Ca 0.10 -3.43 -0.38 0.00 -0.26 0.00 0.00 58.87 54.90 3nq3 n SER 36 Cb 0.35 -0.75 0.04 0.00 -0.26 0.00 0.00 64.21 63.59 3nq3 n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3nq3 s ALA 37 N -3.13 2.80 0.26 7.33 0.00 -0.54 -4.94 121.76 123.54 3nq3 s ALA 37 Ca 0.54 1.32 -0.03 0.00 0.00 0.00 0.00 51.96 53.78 3nq3 s ALA 37 Cb 0.44 -3.56 0.52 0.00 0.00 0.00 0.00 23.12 20.52 3nq3 s ALA 37 CO 0.10 -1.38 1.67 -1.00 0.00 0.00 0.00 175.76 175.16 3nq3 h PRO 38 N 1.42 0.23 -0.58 0.00 0.13 -1.78 -2.71 132.00 128.71 3nq3 h PRO 38 Ca -0.51 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3nq3 h PRO 38 Cb 1.30 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3nq3 h PRO 38 CO 0.57 0.15 0.00 1.28 -0.23 0.00 0.00 178.00 179.77 3nq3 n LEU 39 N -5.19 3.61 -4.58 1.56 7.99 -0.71 -4.74 117.00 114.93 3nq3 n LEU 39 Ca 0.16 -1.91 -0.36 0.00 -0.01 0.00 0.00 56.01 53.88 3nq3 n LEU 39 Cb 0.52 -0.39 -0.03 0.00 -0.11 0.00 0.00 43.42 43.41 3nq3 n LEU 39 CO 0.10 0.88 1.71 -0.60 -1.51 0.00 0.00 177.39 177.97 3nq3 s ARG 40 N -1.06 3.31 0.03 3.23 6.06 -1.02 -4.91 118.95 124.58 3nq3 s ARG 40 Ca 0.41 -1.48 0.08 0.00 -2.50 0.00 0.00 55.73 52.24 3nq3 s ARG 40 Cb 0.22 -5.38 -0.03 0.00 0.06 0.00 0.00 34.95 29.82 3nq3 s ARG 40 CO 0.28 -2.95 -0.24 0.14 -2.50 0.00 0.00 175.30 170.03 3nq3 s VAL 41 N 7.17 1.96 -0.22 7.11 -7.23 -1.26 -4.56 120.40 123.36 3nq3 s VAL 41 Ca 0.59 -1.25 -0.01 0.00 -1.81 0.00 0.00 61.98 59.50 3nq3 s VAL 41 Cb 0.01 -1.67 0.01 0.00 0.56 0.00 0.00 36.38 35.30 3nq3 s VAL 41 CO 0.07 0.37 -0.10 -0.31 -0.31 0.00 0.00 175.10 174.82 3nq3 s TYR 42 N -0.74 2.95 0.21 2.82 1.51 -0.20 -4.97 117.35 118.92 3nq3 s TYR 42 Ca 0.10 -1.41 -0.30 0.00 -1.01 0.00 0.00 57.07 54.45 3nq3 s TYR 42 Cb -0.09 -2.03 -0.08 0.00 -0.11 0.00 0.00 41.96 39.64 3nq3 s TYR 42 CO 0.01 -0.70 0.99 0.08 -1.11 0.00 0.00 175.55 174.82 3nq3 s VAL 43 N 1.36 4.05 -0.13 0.71 1.01 -1.26 -0.45 120.40 125.69 3nq3 s VAL 43 Ca 0.03 1.94 -0.09 0.00 0.00 0.00 0.00 61.98 63.86 3nq3 s VAL 43 Cb -0.15 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 31.94 3nq3 s VAL 43 CO -0.07 0.41 -0.21 -0.62 0.00 0.00 0.00 175.10 174.62 3nq3 n GLU 44 N 1.84 0.33 -3.69 2.72 -0.58 -0.28 -4.18 120.64 116.81 3nq3 n GLU 44 Ca -0.00 0.14 -0.14 0.00 -0.42 0.00 0.00 57.16 56.74 3nq3 n GLU 44 Cb 0.47 -1.06 -0.08 0.00 -0.57 0.00 0.00 31.44 30.19 3nq3 n GLU 44 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3nq3 s GLU 45 N -2.38 0.69 -0.21 3.49 2.12 -1.02 -2.23 118.70 119.17 3nq3 s GLU 45 Ca -0.21 0.30 -0.05 0.00 0.36 0.00 0.00 54.97 55.37 3nq3 s GLU 45 Cb 0.07 0.32 -0.02 0.00 0.26 0.00 0.00 34.13 34.76 3nq3 s GLU 45 CO 0.27 -0.16 0.01 -0.51 -0.54 0.00 0.00 175.26 174.34 3nq3 s LEU 46 N -0.56 3.28 -0.50 2.70 1.43 0.22 -2.04 118.68 123.20 3nq3 s LEU 46 Ca -0.07 -0.22 0.04 0.00 -1.03 0.00 0.00 54.13 52.86 3nq3 s LEU 46 Cb -0.03 -1.84 0.13 0.00 0.03 0.00 0.00 46.19 44.47 3nq3 s LEU 46 CO 0.04 0.03 0.24 -0.54 0.23 0.00 0.00 176.35 176.36 3nq3 s LYS 47 N 1.18 1.91 0.15 1.70 1.02 -0.31 -0.12 119.74 125.27 3nq3 s LYS 47 Ca 0.03 -2.55 -0.31 0.00 0.02 0.00 0.00 55.97 53.16 3nq3 s LYS 47 Cb -0.14 -3.27 -0.10 0.00 -0.52 0.00 0.00 37.83 33.80 3nq3 s LYS 47 CO 0.02 -1.10 1.57 -1.25 -0.92 0.00 0.00 175.35 173.66 3nq3 s PRO 48 N -0.19 4.22 0.63 -1.68 0.04 -1.26 -1.11 135.00 135.65 3nq3 s PRO 48 Ca 0.17 2.34 -0.13 0.00 0.04 0.00 0.00 61.00 63.41 3nq3 s PRO 48 Cb -0.25 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.04 3nq3 s PRO 48 CO -0.01 -0.61 1.05 0.95 0.04 0.00 0.00 177.00 178.42 3nq3 s THR 49 N 1.35 4.08 0.52 1.26 -4.23 -0.60 -4.93 115.64 113.09 3nq3 s THR 49 Ca 0.70 0.82 0.28 0.00 -1.18 0.00 0.00 61.69 62.31 3nq3 s THR 49 Cb -0.43 -3.48 0.32 0.00 1.34 0.00 0.00 72.50 70.26 3nq3 s THR 49 CO 0.31 -0.75 2.18 1.55 -0.54 0.00 0.00 174.62 177.37 3nq3 h PRO 50 N -0.09 0.00 -0.35 3.99 0.13 -1.95 -0.31 132.00 133.42 3nq3 h PRO 50 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3nq3 h PRO 50 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3nq3 h PRO 50 CO 0.58 0.05 0.00 -0.85 -0.23 0.00 0.00 178.00 177.55 3nq3 n GLU 51 N -3.82 1.35 -0.99 0.86 0.00 -1.26 -4.94 120.64 111.84 3nq3 n GLU 51 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 57.16 56.72 3nq3 n GLU 51 Cb 0.14 -1.24 0.00 0.00 0.00 0.00 0.00 31.44 30.34 3nq3 n GLU 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3nq3 n GLY 52 N 0.51 0.55 3.72 -1.84 0.00 -0.13 -4.98 105.19 103.02 3nq3 n GLY 52 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3nq3 n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3nq3 s ASP 53 N -2.09 3.12 -0.26 1.61 1.01 -1.26 -4.29 116.67 114.51 3nq3 s ASP 53 Ca 0.00 1.19 0.01 0.00 0.71 0.00 0.00 52.55 54.46 3nq3 s ASP 53 Cb 0.00 -1.84 0.07 0.00 1.01 0.00 0.00 42.92 42.16 3nq3 s ASP 53 CO 0.00 -2.82 -0.01 -0.22 0.21 0.00 0.00 175.17 172.33 3nq3 s LEU 54 N -6.26 2.83 0.00 1.23 2.96 0.12 -1.56 118.68 118.00 3nq3 s LEU 54 Ca 0.64 -1.39 -0.26 0.00 -0.22 0.00 0.00 54.13 52.90 3nq3 s LEU 54 Cb -0.17 -1.19 -0.04 0.00 0.50 0.00 0.00 46.19 45.29 3nq3 s LEU 54 CO 0.56 -0.29 0.82 -1.61 -1.32 0.00 0.00 176.35 174.51 3nq3 s GLU 55 N 1.36 4.51 -0.17 1.98 2.02 -0.27 -0.22 118.70 127.92 3nq3 s GLU 55 Ca -0.01 1.13 0.01 0.00 0.02 0.00 0.00 54.97 56.12 3nq3 s GLU 55 Cb -0.19 -3.42 0.02 0.00 0.10 0.00 0.00 34.13 30.64 3nq3 s GLU 55 CO -0.09 0.12 -0.20 0.42 0.02 0.00 0.00 175.26 175.53 3nq3 s ILE 56 N 0.51 2.14 -0.16 -1.63 1.01 0.49 -1.17 121.20 122.39 3nq3 s ILE 56 Ca 0.42 -0.92 -0.17 0.00 0.00 0.00 0.00 60.65 59.98 3nq3 s ILE 56 Cb -0.20 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3nq3 s ILE 56 CO 0.23 0.54 0.46 -0.76 0.00 0.00 0.00 174.94 175.40 3nq3 s LEU 57 N 1.18 4.22 0.24 2.97 1.43 -0.87 0.26 118.68 128.11 3nq3 s LEU 57 Ca 0.02 0.70 -0.09 0.00 -1.03 0.00 0.00 54.13 53.73 3nq3 s LEU 57 Cb -0.14 -2.64 -0.01 0.00 0.03 0.00 0.00 46.19 43.43 3nq3 s LEU 57 CO -0.10 -0.05 0.39 -1.48 0.23 0.00 0.00 176.35 175.34 3nq3 s LEU 58 N 0.99 0.59 -0.05 1.79 -0.00 -0.77 -1.12 118.68 120.10 3nq3 s LEU 58 Ca 0.23 -1.09 -0.00 0.00 -0.00 0.00 0.00 54.13 53.27 3nq3 s LEU 58 Cb -0.15 1.39 -0.03 0.00 -0.00 0.00 0.00 46.19 47.40 3nq3 s LEU 58 CO 0.09 -1.08 -0.01 -1.10 -0.00 0.00 0.00 176.35 174.25 3nq3 s GLN 59 N -3.97 2.87 -0.02 1.48 -0.21 0.40 -0.21 119.66 120.00 3nq3 s GLN 59 Ca 0.27 -0.51 -0.03 0.00 0.02 0.00 0.00 55.36 55.12 3nq3 s GLN 59 Cb 0.01 -2.71 0.00 0.00 1.00 0.00 0.00 33.01 31.32 3nq3 s GLN 59 CO 0.11 0.67 0.07 0.21 -2.12 0.00 0.00 175.29 174.22 3nq3 s LYS 60 N -1.12 0.13 -0.28 2.91 2.20 0.21 -1.04 119.74 122.76 3nq3 s LYS 60 Ca 0.15 -0.00 -0.29 0.00 -0.36 0.00 0.00 55.97 55.47 3nq3 s LYS 60 Cb -0.11 0.06 0.01 0.00 -1.51 0.00 0.00 37.83 36.28 3nq3 s LYS 60 CO 0.05 -0.02 1.05 -0.46 -0.36 0.00 0.00 175.35 175.61 3nq3 s TRP 61 N -0.20 3.24 0.00 4.03 -0.11 -1.26 0.07 118.94 124.71 3nq3 s TRP 61 Ca -0.03 1.32 0.00 0.00 1.22 0.00 0.00 56.10 58.61 3nq3 s TRP 61 Cb -0.02 -3.47 0.00 0.00 -1.50 0.00 0.00 33.47 28.48 3nq3 s TRP 61 CO 0.00 -0.62 0.00 0.39 -4.62 0.00 0.00 176.95 172.10 3nq3 n GLU 62 N 6.58 0.00 0.00 5.86 1.02 0.40 -4.44 120.64 130.06 3nq3 n GLU 62 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 3nq3 n GLU 62 Cb 0.47 -0.23 0.00 0.00 -0.02 0.00 0.00 31.44 31.65 3nq3 n GLU 62 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3nq3 n ASN 63 N -2.59 0.00 -2.33 1.62 4.13 -1.26 -4.78 115.26 110.04 3nq3 n ASN 63 Ca 0.00 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 55.96 3nq3 n ASN 63 Cb 0.18 0.00 0.04 0.00 -1.54 0.00 0.00 39.78 38.46 3nq3 n ASN 63 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3nq3 n GLY 64 N 4.92 6.05 3.49 7.41 0.00 -1.26 -5.04 105.19 120.76 3nq3 n GLY 64 Ca 0.00 -2.56 -0.09 0.00 0.00 0.00 0.00 46.02 43.37 3nq3 n GLY 64 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3nq3 s GLU 65 N -3.73 1.38 -0.72 1.61 -1.05 -1.26 -5.11 118.70 109.83 3nq3 s GLU 65 Ca 0.55 -1.11 -0.19 0.00 -0.15 0.00 0.00 54.97 54.07 3nq3 s GLU 65 Cb 0.44 0.46 0.12 0.00 -0.44 0.00 0.00 34.13 34.71 3nq3 s GLU 65 CO -0.09 -0.56 0.87 0.00 0.95 0.00 0.00 175.26 176.44 3nq3 s ALA 67 N 2.70 3.37 0.21 0.00 0.00 0.11 -4.86 121.76 123.30 3nq3 s ALA 67 Ca 0.20 0.19 -0.18 0.00 0.00 0.00 0.00 51.96 52.17 3nq3 s ALA 67 Cb -0.16 -2.86 -0.08 0.00 0.00 0.00 0.00 23.12 20.02 3nq3 s ALA 67 CO 0.01 0.31 0.68 -1.14 0.00 0.00 0.00 175.76 175.62 3nq3 s GLN 68 N -2.17 4.16 0.07 0.00 2.00 -1.26 -0.62 119.66 121.84 3nq3 s GLN 68 Ca 0.46 0.75 0.04 0.00 -2.00 0.00 0.00 55.36 54.61 3nq3 s GLN 68 Cb -0.16 -2.85 -0.03 0.00 0.80 0.00 0.00 33.01 30.77 3nq3 s GLN 68 CO 0.20 0.40 -0.11 0.15 -0.50 0.00 0.00 175.29 175.43 3nq3 s LYS 69 N -2.06 0.75 -0.18 1.67 -0.14 0.70 -4.92 119.74 115.56 3nq3 s LYS 69 Ca 0.43 -0.97 0.01 0.00 -1.36 0.00 0.00 55.97 54.07 3nq3 s LYS 69 Cb -0.16 -0.59 0.04 0.00 -1.68 0.00 0.00 37.83 35.44 3nq3 s LYS 69 CO 0.20 0.12 -0.12 0.21 -0.76 0.00 0.00 175.35 175.00 3nq3 s LYS 70 N -2.05 2.12 -0.13 1.68 2.20 -1.26 -1.85 119.74 120.45 3nq3 s LYS 70 Ca -0.02 -0.76 -0.05 0.00 -0.36 0.00 0.00 55.97 54.79 3nq3 s LYS 70 Cb -0.08 -2.32 -0.04 0.00 -1.51 0.00 0.00 37.83 33.88 3nq3 s LYS 70 CO 0.01 -0.37 0.03 0.42 -0.36 0.00 0.00 175.35 175.08 3nq3 s ILE 71 N 1.42 4.53 -0.23 5.43 -1.09 0.14 -4.95 121.20 126.45 3nq3 s ILE 71 Ca 0.01 -0.15 -0.05 0.00 -2.23 0.00 0.00 60.65 58.23 3nq3 s ILE 71 Cb -0.15 -2.97 -0.02 0.00 -1.58 0.00 0.00 42.46 37.74 3nq3 s ILE 71 CO -0.09 0.54 0.01 -0.51 -1.23 0.00 0.00 174.94 173.66 3nq3 s ILE 72 N -0.27 3.78 -0.36 2.92 1.10 -1.26 0.18 121.20 127.29 3nq3 s ILE 72 Ca 0.07 -0.35 -0.11 0.00 -0.51 0.00 0.00 60.65 59.75 3nq3 s ILE 72 Cb -0.12 -2.74 0.02 0.00 0.15 0.00 0.00 42.46 39.76 3nq3 s ILE 72 CO 0.02 0.39 0.20 0.00 -2.11 0.00 0.00 174.94 173.44 3nq3 s ALA 73 N 1.53 3.30 0.16 1.50 0.00 0.70 -4.44 121.76 124.51 3nq3 s ALA 73 Ca 0.06 -1.63 -0.30 0.00 0.00 0.00 0.00 51.96 50.09 3nq3 s ALA 73 Cb -0.15 -2.57 -0.07 0.00 0.00 0.00 0.00 23.12 20.33 3nq3 s ALA 73 CO -0.00 -1.27 1.00 -1.21 0.00 0.00 0.00 175.76 174.28 3nq3 s GLU 74 N 1.58 4.70 0.72 0.00 2.02 0.06 0.15 118.70 127.94 3nq3 s GLU 74 Ca 0.03 1.55 -0.16 0.00 0.02 0.00 0.00 54.97 56.41 3nq3 s GLU 74 Cb -0.19 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.71 3nq3 s GLU 74 CO 0.07 0.24 0.77 0.36 0.02 0.00 0.00 175.26 176.73 3nq3 n LYS 75 N 2.32 0.40 -2.70 1.61 2.85 -1.26 -0.64 118.16 120.75 3nq3 n LYS 75 Ca 0.01 0.19 -0.08 0.00 -1.05 0.00 0.00 58.31 57.38 3nq3 n LYS 75 Cb 0.48 -2.05 -0.02 0.00 -0.65 0.00 0.00 35.03 32.79 3nq3 n LYS 75 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3nq3 n THR 76 N -2.47 0.00 0.31 0.58 -2.24 -1.18 -4.74 114.28 104.55 3nq3 n THR 76 Ca 0.12 -0.64 0.16 0.00 -2.27 0.00 0.00 64.05 61.42 3nq3 n THR 76 Cb 0.50 0.15 0.69 0.00 -2.10 0.00 0.00 70.33 69.56 3nq3 n THR 76 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3nq3 h LYS 77 N 0.00 0.00 -5.02 -0.78 6.56 -1.97 -3.41 116.57 111.96 3nq3 h LYS 77 Ca -0.11 0.00 -0.64 0.00 -1.06 0.00 0.00 60.65 58.85 3nq3 h LYS 77 Cb 0.34 0.00 -0.16 0.00 -0.57 0.00 0.00 32.23 31.84 3nq3 h LYS 77 CO 0.18 0.00 -0.37 0.42 -2.06 0.00 0.00 179.45 177.62 3nq3 s ILE 78 N -3.61 5.23 0.55 1.86 1.01 -1.26 -4.98 121.20 120.01 3nq3 s ILE 78 Ca 0.01 0.33 0.29 0.00 0.00 0.00 0.00 60.65 61.27 3nq3 s ILE 78 Cb 0.09 -3.64 0.42 0.00 0.01 0.00 0.00 42.46 39.34 3nq3 s ILE 78 CO 0.45 0.16 1.94 -0.65 0.00 0.00 0.00 174.94 176.84 3nq3 h PRO 79 N 8.29 0.00 -0.18 2.79 0.11 -1.95 -2.45 132.00 138.62 3nq3 h PRO 79 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3nq3 h PRO 79 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3nq3 h PRO 79 CO 0.61 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.40 3nq3 n ALA 80 N -2.56 2.49 -3.29 -0.75 0.00 -1.26 -4.90 120.51 110.24 3nq3 n ALA 80 Ca 0.12 -0.66 -0.24 0.00 0.00 0.00 0.00 53.44 52.66 3nq3 n ALA 80 Cb 0.73 -1.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.01 3nq3 n ALA 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3nq3 s VAL 81 N -1.78 1.12 0.17 0.00 1.01 -0.92 -0.41 120.40 119.60 3nq3 s VAL 81 Ca 0.34 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.89 3nq3 s VAL 81 Cb 0.20 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 3nq3 s VAL 81 CO 0.29 0.34 -0.13 -0.36 0.00 0.00 0.00 175.10 175.25 3nq3 s PHE 82 N 0.48 1.48 -0.10 5.22 0.40 0.44 -3.07 117.98 122.83 3nq3 s PHE 82 Ca -0.11 -0.65 0.03 0.00 -0.60 0.00 0.00 56.93 55.60 3nq3 s PHE 82 Cb -0.14 -0.72 0.01 0.00 0.51 0.00 0.00 43.02 42.68 3nq3 s PHE 82 CO 0.03 0.21 -0.19 0.21 0.70 0.00 0.00 175.22 176.18 3nq3 s LYS 83 N -3.55 2.53 -0.26 0.44 2.20 0.19 -1.23 119.74 120.05 3nq3 s LYS 83 Ca 0.18 -0.69 -0.11 0.00 -0.36 0.00 0.00 55.97 54.98 3nq3 s LYS 83 Cb 0.00 -2.00 -0.05 0.00 -1.51 0.00 0.00 37.83 34.28 3nq3 s LYS 83 CO 0.04 0.07 0.21 0.42 -0.36 0.00 0.00 175.35 175.73 3nq3 s ILE 84 N 0.59 5.31 -0.04 5.43 1.01 -0.57 -0.76 121.20 132.18 3nq3 s ILE 84 Ca -0.14 0.24 -0.35 0.00 0.00 0.00 0.00 60.65 60.40 3nq3 s ILE 84 Cb -0.17 -3.55 -0.13 0.00 0.01 0.00 0.00 42.46 38.62 3nq3 s ILE 84 CO 0.05 0.27 1.73 -0.90 0.00 0.00 0.00 174.94 176.09 3nq3 n ASP 85 N 4.83 3.04 -2.54 3.58 5.75 -1.26 -3.97 116.55 125.97 3nq3 n ASP 85 Ca -0.13 1.03 -0.08 0.00 -0.01 0.00 0.00 54.79 55.60 3nq3 n ASP 85 Cb 0.52 -1.34 0.03 0.00 -1.03 0.00 0.00 41.12 39.30 3nq3 n ASP 85 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3nq3 n ALA 86 N 5.24 -1.55 0.09 2.12 0.00 -1.26 -4.98 120.51 120.18 3nq3 n ALA 86 Ca 0.21 -1.09 0.01 0.00 0.00 0.00 0.00 53.44 52.57 3nq3 n ALA 86 Cb 0.26 0.86 0.05 0.00 0.00 0.00 0.00 19.45 20.62 3nq3 n ALA 86 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3nq3 n LEU 87 N 0.00 0.00 -3.78 0.00 -0.00 -1.26 -4.62 117.00 107.34 3nq3 n LEU 87 Ca -0.08 0.27 -0.12 0.00 -0.00 0.00 0.00 56.01 56.09 3nq3 n LEU 87 Cb 0.51 -0.27 -0.08 0.00 -0.00 0.00 0.00 43.42 43.58 3nq3 n LEU 87 CO 0.24 -0.25 -0.00 0.54 -0.00 0.00 0.00 177.39 177.91 3nq3 s ASN 88 N -2.54 -0.10 -0.20 1.45 4.22 -1.26 -5.14 114.94 111.36 3nq3 s ASN 88 Ca 0.02 -0.17 -0.28 0.00 -2.14 0.00 0.00 52.86 50.29 3nq3 s ASN 88 Cb 0.01 0.33 0.00 0.00 1.28 0.00 0.00 41.25 42.87 3nq3 s ASN 88 CO 0.03 -0.56 0.98 -0.70 -2.04 0.00 0.00 177.10 174.81 3nq3 s GLU 89 N -2.27 4.28 -0.01 3.55 2.12 -1.25 -4.87 118.70 120.26 3nq3 s GLU 89 Ca -0.07 1.27 0.00 0.00 0.36 0.00 0.00 54.97 56.53 3nq3 s GLU 89 Cb -0.02 -3.62 0.01 0.00 0.26 0.00 0.00 34.13 30.76 3nq3 s GLU 89 CO -0.02 -0.52 -0.00 0.54 -0.54 0.00 0.00 175.26 174.72 3nq3 s ASN 90 N 1.20 0.12 0.15 -1.70 4.22 -1.25 -1.12 114.94 116.55 3nq3 s ASN 90 Ca 0.43 -0.01 0.08 0.00 -2.14 0.00 0.00 52.86 51.22 3nq3 s ASN 90 Cb -0.16 -0.04 -0.04 0.00 1.28 0.00 0.00 41.25 42.29 3nq3 s ASN 90 CO 0.09 -0.02 -0.08 -0.54 -2.04 0.00 0.00 177.10 174.51 3nq3 s LYS 91 N 0.24 2.15 -0.20 3.55 1.02 -0.27 -1.51 119.74 124.71 3nq3 s LYS 91 Ca -0.02 -1.15 -0.06 0.00 0.02 0.00 0.00 55.97 54.76 3nq3 s LYS 91 Cb -0.03 -2.25 -0.03 0.00 -0.52 0.00 0.00 37.83 35.00 3nq3 s LYS 91 CO -0.01 0.46 0.02 0.08 -0.92 0.00 0.00 175.35 174.98 3nq3 s VAL 92 N -1.54 4.10 -0.11 3.17 1.01 -0.37 -1.24 120.40 125.42 3nq3 s VAL 92 Ca 0.24 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.98 3nq3 s VAL 92 Cb -0.10 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 3nq3 s VAL 92 CO 0.15 0.42 -0.19 -0.76 0.00 0.00 0.00 175.10 174.73 3nq3 s LEU 93 N 1.00 2.41 -0.28 3.92 1.02 -0.25 -0.42 118.68 126.08 3nq3 s LEU 93 Ca 0.02 -0.43 -0.21 0.00 0.02 0.00 0.00 54.13 53.54 3nq3 s LEU 93 Cb -0.14 -1.51 -0.01 0.00 0.02 0.00 0.00 46.19 44.55 3nq3 s LEU 93 CO 0.02 0.18 0.66 -0.69 0.02 0.00 0.00 176.35 176.55 3nq3 s VAL 94 N 0.23 4.92 -0.13 -1.59 1.01 0.46 -1.27 120.40 124.03 3nq3 s VAL 94 Ca -0.12 1.04 0.04 0.00 0.00 0.00 0.00 61.98 62.94 3nq3 s VAL 94 Cb -0.16 -4.01 -0.24 0.00 0.00 0.00 0.00 36.38 31.98 3nq3 s VAL 94 CO 0.06 -0.10 0.32 0.18 0.00 0.00 0.00 175.10 175.56 3nq3 n LEU 95 N 5.88 1.76 -3.62 3.92 4.77 0.55 -1.62 117.00 128.64 3nq3 n LEU 95 Ca 0.00 0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 56.08 3nq3 n LEU 95 Cb 0.49 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 3nq3 n LEU 95 CO 0.46 0.67 0.82 -0.62 -1.33 0.00 0.00 177.39 177.38 3nq3 s ASP 96 N -6.43 -0.36 0.03 -1.43 2.15 -1.13 -2.48 116.67 107.02 3nq3 s ASP 96 Ca -0.17 0.61 -0.27 0.00 0.43 0.00 0.00 52.55 53.14 3nq3 s ASP 96 Cb 0.07 0.58 0.08 0.00 -0.30 0.00 0.00 42.92 43.35 3nq3 s ASP 96 CO 0.77 -0.19 0.70 0.28 -0.17 0.00 0.00 175.17 176.56 3nq3 s THR 97 N -0.25 0.00 -0.34 1.71 -1.32 -1.26 -0.20 115.64 113.98 3nq3 s THR 97 Ca 0.02 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.58 3nq3 s THR 97 Cb -0.03 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.15 3nq3 s THR 97 CO -0.05 0.00 1.15 -0.90 -2.21 0.00 0.00 174.62 172.61 3nq3 n ASP 98 N 0.21 2.54 0.00 8.08 5.68 -1.00 -5.02 116.55 127.03 3nq3 n ASP 98 Ca -0.16 -2.24 0.00 0.00 -0.50 0.00 0.00 54.79 51.89 3nq3 n ASP 98 Cb 0.61 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 3nq3 n ASP 98 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 3nq3 n TYR 99 N -0.29 0.00 0.62 2.11 4.01 -1.25 -4.41 117.16 117.96 3nq3 n TYR 99 Ca 0.08 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.91 3nq3 n TYR 99 Cb 0.42 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.34 3nq3 n TYR 99 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 3nq3 n LYS 100 N 0.00 0.83 0.01 -0.72 0.00 -1.26 -4.81 118.16 112.21 3nq3 n LYS 100 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 3nq3 n LYS 100 Cb 0.00 -1.39 0.00 0.00 -0.00 0.00 0.00 35.03 33.64 3nq3 n LYS 100 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3nq3 n LYS 101 N -1.64 0.00 -4.09 -1.58 5.02 -1.26 -4.77 118.16 109.84 3nq3 n LYS 101 Ca 0.02 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.22 3nq3 n LYS 101 Cb 0.35 -0.19 -0.10 0.00 -0.02 0.00 0.00 35.03 35.06 3nq3 n LYS 101 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 3nq3 s TYR 102 N -2.00 0.55 -0.08 2.13 1.13 -1.26 -0.77 117.35 117.06 3nq3 s TYR 102 Ca 0.00 -0.92 -0.05 0.00 -1.41 0.00 0.00 57.07 54.69 3nq3 s TYR 102 Cb 0.00 -0.38 0.03 0.00 -1.10 0.00 0.00 41.96 40.51 3nq3 s TYR 102 CO 0.00 -0.29 0.19 -1.17 -2.51 0.00 0.00 175.55 171.77 3nq3 s LEU 103 N -2.63 0.80 -0.15 -3.49 0.20 0.47 -2.39 118.68 111.48 3nq3 s LEU 103 Ca 0.03 0.39 -0.02 0.00 0.69 0.00 0.00 54.13 55.22 3nq3 s LEU 103 Cb 0.04 0.55 -0.02 0.00 -0.43 0.00 0.00 46.19 46.33 3nq3 s LEU 103 CO -0.07 -0.13 -0.09 -0.76 -0.29 0.00 0.00 176.35 175.02 3nq3 s LEU 104 N 0.89 2.92 0.06 -0.68 1.43 0.72 -0.18 118.68 123.83 3nq3 s LEU 104 Ca -0.07 -0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 3nq3 s LEU 104 Cb -0.08 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 3nq3 s LEU 104 CO -0.05 0.13 0.00 0.72 0.23 0.00 0.00 176.35 177.39 3nq3 s PHE 105 N 0.56 0.47 0.13 0.29 -0.12 -0.96 -0.33 117.98 118.02 3nq3 s PHE 105 Ca -0.06 -1.00 0.05 0.00 -0.05 0.00 0.00 56.93 55.88 3nq3 s PHE 105 Cb -0.15 -0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 41.86 3nq3 s PHE 105 CO 0.03 -0.40 -0.12 0.00 -0.05 0.00 0.00 175.22 174.68 3nq3 s MET 107 N -3.10 1.95 0.01 0.00 -1.94 0.13 -1.09 119.30 115.27 3nq3 s MET 107 Ca 0.12 -0.50 0.02 0.00 -1.71 0.00 0.00 55.69 53.61 3nq3 s MET 107 Cb -0.02 -1.57 -0.01 0.00 2.01 0.00 0.00 34.83 35.24 3nq3 s MET 107 CO 0.02 0.06 -0.05 -1.83 -0.01 0.00 0.00 175.02 173.21 3nq3 s GLU 108 N 0.59 0.41 -0.51 2.03 -1.05 -0.38 -1.17 118.70 118.62 3nq3 s GLU 108 Ca -0.15 -0.41 -0.28 0.00 -0.15 0.00 0.00 54.97 53.98 3nq3 s GLU 108 Cb -0.16 -0.28 0.01 0.00 -0.44 0.00 0.00 34.13 33.26 3nq3 s GLU 108 CO 0.05 0.06 1.46 0.54 0.95 0.00 0.00 175.26 178.32 3nq3 s ASN 109 N -0.74 6.12 -0.45 0.83 6.03 -0.94 -1.12 114.94 124.67 3nq3 s ASN 109 Ca -0.04 0.50 -0.24 0.00 -1.03 0.00 0.00 52.86 52.05 3nq3 s ASN 109 Cb -0.05 -2.54 0.03 0.00 -3.03 0.00 0.00 41.25 35.65 3nq3 s ASN 109 CO -0.00 -1.67 0.86 -0.94 -2.03 0.00 0.00 177.10 173.31 3nq3 s SER 110 N 4.60 6.46 0.00 3.54 1.04 -0.28 -4.35 113.70 124.70 3nq3 s SER 110 Ca 0.57 0.01 0.00 0.00 0.48 0.00 0.00 55.95 57.02 3nq3 s SER 110 Cb -0.12 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.58 3nq3 s SER 110 CO 0.27 -0.98 0.00 0.00 0.98 0.00 0.00 173.24 173.51 3nq3 n ALA 111 N 6.94 0.00 0.00 5.32 0.00 -1.26 -3.90 120.51 127.60 3nq3 n ALA 111 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3nq3 n ALA 111 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3nq3 n ALA 111 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3nq3 n GLU 112 N 0.00 0.00 -0.33 0.00 -0.00 -1.26 -4.83 120.64 114.22 3nq3 n GLU 112 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 57.16 57.31 3nq3 n GLU 112 Cb 0.00 -0.36 0.29 0.00 -0.00 0.00 0.00 31.44 31.37 3nq3 n GLU 112 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3nq3 n PRO 113 N -1.27 -0.07 -1.82 3.44 -0.02 -1.26 0.30 135.00 134.29 3nq3 n PRO 113 Ca 0.00 1.42 -0.31 0.00 -2.02 0.00 0.00 63.50 62.59 3nq3 n PRO 113 Cb 0.00 -2.27 0.03 0.00 -0.02 0.00 0.00 33.50 31.23 3nq3 n PRO 113 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3nq3 s GLU 114 N -5.92 3.25 0.10 -0.52 1.03 -1.26 -4.82 118.70 110.55 3nq3 s GLU 114 Ca -0.12 0.69 0.02 0.00 0.03 0.00 0.00 54.97 55.59 3nq3 s GLU 114 Cb 0.28 -2.05 -0.01 0.00 -0.80 0.00 0.00 34.13 31.56 3nq3 s GLU 114 CO 0.74 -0.81 0.09 0.00 -1.33 0.00 0.00 175.26 173.95 3nq3 n GLN 115 N -2.90 0.13 0.00 -4.83 10.64 -1.26 -4.90 117.38 114.26 3nq3 n GLN 115 Ca 0.06 -0.94 0.00 0.00 -1.83 0.00 0.00 57.00 54.30 3nq3 n GLN 115 Cb 0.55 0.79 0.00 0.00 -0.86 0.00 0.00 30.24 30.72 3nq3 n GLN 115 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3nq3 n SER 116 N -2.52 0.00 -3.65 2.61 7.64 -1.26 -4.64 113.62 111.80 3nq3 n SER 116 Ca 0.02 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.78 3nq3 n SER 116 Cb 0.17 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.30 3nq3 n SER 116 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3nq3 s LEU 117 N 0.00 -0.62 -0.01 -3.43 2.96 -1.26 -2.22 118.68 114.10 3nq3 s LEU 117 Ca 0.00 1.36 0.00 0.00 -0.22 0.00 0.00 54.13 55.27 3nq3 s LEU 117 Cb 0.00 2.25 0.01 0.00 0.50 0.00 0.00 46.19 48.95 3nq3 s LEU 117 CO 0.00 -0.23 -0.00 0.00 -1.32 0.00 0.00 176.35 174.80 3nq3 s ALA 118 N 0.77 0.08 0.10 5.97 0.00 -0.32 -0.48 121.76 127.88 3nq3 s ALA 118 Ca -0.03 0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.03 3nq3 s ALA 118 Cb -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 3nq3 s ALA 118 CO -0.06 -0.01 -0.16 0.00 0.00 0.00 0.00 175.76 175.54 3nq3 s GLN 120 N -2.23 1.03 -0.32 0.00 -0.21 0.44 -1.04 119.66 117.33 3nq3 s GLN 120 Ca 0.05 -1.32 -0.07 0.00 0.02 0.00 0.00 55.36 54.05 3nq3 s GLN 120 Cb -0.08 -0.79 0.02 0.00 1.00 0.00 0.00 33.01 33.16 3nq3 s GLN 120 CO 0.03 0.13 0.10 0.00 -2.12 0.00 0.00 175.29 173.44 3nq3 s LEU 122 N 1.48 4.40 0.10 0.00 1.43 0.75 -1.26 118.68 125.58 3nq3 s LEU 122 Ca 0.01 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 3nq3 s LEU 122 Cb -0.18 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 3nq3 s LEU 122 CO 0.03 0.39 -0.09 0.68 0.23 0.00 0.00 176.35 177.59 3nq3 s VAL 123 N -0.99 0.88 -0.07 -1.59 -7.23 -0.29 -0.40 120.40 110.71 3nq3 s VAL 123 Ca 0.16 -1.77 0.28 0.00 -1.81 0.00 0.00 61.98 58.83 3nq3 s VAL 123 Cb -0.13 -1.50 0.33 0.00 0.56 0.00 0.00 36.38 35.64 3nq3 s VAL 123 CO 0.05 -0.68 1.81 0.03 -0.31 0.00 0.00 175.10 176.00 3nq3 h ARG 124 N 3.29 0.00 -4.64 4.82 2.47 -1.20 0.18 114.38 119.30 3nq3 h ARG 124 Ca -0.36 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.07 3nq3 h ARG 124 Cb 1.18 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 29.29 3nq3 h ARG 124 CO 0.58 0.07 -0.74 -0.08 0.56 0.00 0.00 179.97 180.36 3nq3 s THR 125 N -3.49 0.60 -1.16 2.04 -1.32 -1.26 -4.68 115.64 106.37 3nq3 s THR 125 Ca 0.03 -1.12 -0.07 0.00 -1.21 0.00 0.00 61.69 59.32 3nq3 s THR 125 Cb 0.08 -0.67 -0.08 0.00 -1.51 0.00 0.00 72.50 70.32 3nq3 s THR 125 CO 0.61 -0.38 2.51 -0.81 -2.21 0.00 0.00 174.62 174.34 3nq3 n PRO 126 N 1.42 2.72 -4.05 7.08 -0.04 -1.26 -4.82 135.00 136.05 3nq3 n PRO 126 Ca -0.22 -1.72 -0.11 0.00 -0.04 0.00 0.00 63.50 61.40 3nq3 n PRO 126 Cb 0.55 -2.56 -0.11 0.00 -0.04 0.00 0.00 33.50 31.34 3nq3 n PRO 126 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3nq3 s GLU 127 N 2.78 0.51 -0.49 0.54 2.02 -1.26 -4.60 118.70 118.20 3nq3 s GLU 127 Ca 0.53 -0.82 -0.25 0.00 0.02 0.00 0.00 54.97 54.45 3nq3 s GLU 127 Cb 0.14 -0.13 0.03 0.00 0.10 0.00 0.00 34.13 34.28 3nq3 s GLU 127 CO -0.04 0.00 0.92 0.08 0.02 0.00 0.00 175.26 176.24 3nq3 s VAL 128 N -1.85 4.45 -0.55 2.63 1.01 -1.26 -4.98 120.40 119.85 3nq3 s VAL 128 Ca -0.08 0.57 -0.18 0.00 0.00 0.00 0.00 61.98 62.29 3nq3 s VAL 128 Cb -0.07 -4.46 0.09 0.00 0.00 0.00 0.00 36.38 31.94 3nq3 s VAL 128 CO -0.01 -0.92 0.62 -0.62 0.00 0.00 0.00 175.10 174.16 3nq3 s ASP 129 N 2.45 6.19 0.34 3.32 -1.08 -1.26 -4.93 116.67 121.70 3nq3 s ASP 129 Ca 0.34 -1.34 0.05 0.00 -0.52 0.00 0.00 52.55 51.08 3nq3 s ASP 129 Cb -0.11 -2.27 0.63 0.00 -1.46 0.00 0.00 42.92 39.71 3nq3 s ASP 129 CO 0.24 -0.96 1.89 0.44 0.52 0.00 0.00 175.17 177.29 3nq3 h ASP 130 N 9.04 0.48 -0.12 -0.34 3.32 -1.99 -1.48 116.42 125.33 3nq3 h ASP 130 Ca -0.29 -0.08 -0.19 0.00 0.02 0.00 0.00 57.03 56.49 3nq3 h ASP 130 Cb 1.09 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.52 3nq3 h ASP 130 CO 1.03 0.54 -0.63 -0.33 -1.72 0.00 0.00 179.24 178.13 3nq3 h GLU 131 N 0.50 0.74 -0.51 3.56 3.07 -1.99 0.08 114.58 120.03 3nq3 h GLU 131 Ca 0.11 -0.52 -0.04 0.00 -0.50 0.00 0.00 59.36 58.41 3nq3 h GLU 131 Cb 0.30 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 3nq3 h GLU 131 CO 0.01 1.14 0.16 0.00 -1.40 0.00 0.00 179.01 178.91 3nq3 h ALA 132 N 0.74 0.66 -0.33 3.43 0.00 -1.94 -2.31 119.26 119.51 3nq3 h ALA 132 Ca -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3nq3 h ALA 132 Cb 1.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3nq3 h ALA 132 CO 0.13 0.32 0.13 -0.07 0.00 0.00 0.00 179.25 179.76 3nq3 h LEU 133 N 0.69 0.42 -0.30 0.00 3.38 -1.04 -0.30 115.31 118.16 3nq3 h LEU 133 Ca 0.16 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 3nq3 h LEU 133 Cb 0.28 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3nq3 h LEU 133 CO -0.00 0.39 -0.51 -0.08 0.09 0.00 0.00 178.44 178.32 3nq3 h GLU 134 N 0.47 0.87 -0.54 1.13 4.81 -0.83 0.67 114.58 121.15 3nq3 h GLU 134 Ca 0.12 -0.54 -0.09 0.00 -0.13 0.00 0.00 59.36 58.72 3nq3 h GLU 134 Cb 0.10 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3nq3 h GLU 134 CO -0.01 1.18 -0.01 0.87 -0.73 0.00 0.00 179.01 180.31 3nq3 h LYS 135 N 0.65 0.92 -0.10 1.92 1.57 -1.04 0.26 116.57 120.76 3nq3 h LYS 135 Ca 0.02 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.53 3nq3 h LYS 135 Cb 1.12 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 3nq3 h LYS 135 CO 0.12 0.92 0.04 0.35 -0.57 0.00 0.00 179.45 180.31 3nq3 h PHE 136 N 0.85 0.08 -0.27 -1.35 3.57 -0.94 -0.87 116.94 118.01 3nq3 h PHE 136 Ca 0.16 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 3nq3 h PHE 136 Cb 0.51 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3nq3 h PHE 136 CO 0.03 0.05 -0.27 -0.44 -2.23 0.00 0.00 178.31 175.45 3nq3 h ASP 137 N 0.10 0.54 -0.21 0.41 3.32 -0.61 -1.48 116.42 118.49 3nq3 h ASP 137 Ca 0.04 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.90 3nq3 h ASP 137 Cb 0.01 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3nq3 h ASP 137 CO -0.03 0.79 0.13 0.11 -1.72 0.00 0.00 179.24 178.52 3nq3 h LYS 138 N 0.46 0.27 -0.22 3.56 1.79 -0.88 -2.49 116.57 119.08 3nq3 h LYS 138 Ca 0.06 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.54 3nq3 h LYS 138 Cb 0.71 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.29 3nq3 h LYS 138 CO 0.05 0.19 0.15 0.00 -1.08 0.00 0.00 179.45 178.76 3nq3 h ALA 139 N 1.07 1.98 0.00 3.86 0.00 -0.69 -2.67 119.26 122.81 3nq3 h ALA 139 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3nq3 h ALA 139 Cb -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3nq3 h ALA 139 CO -0.02 -0.01 -0.59 -0.07 0.00 0.00 0.00 179.25 178.57 3nq3 h LEU 140 N 0.18 0.00 -1.21 0.00 4.07 -0.96 -3.26 115.31 114.13 3nq3 h LEU 140 Ca 0.09 -0.07 0.15 0.00 0.08 0.00 0.00 57.88 58.13 3nq3 h LEU 140 Cb 0.14 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.80 3nq3 h LEU 140 CO -0.02 0.03 0.59 0.50 -1.08 0.00 0.00 178.44 178.47 3nq3 h LYS 141 N 0.00 0.73 0.00 1.13 3.64 -1.08 -0.51 116.57 120.47 3nq3 h LYS 141 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3nq3 h LYS 141 Cb 0.90 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3nq3 h LYS 141 CO 0.00 0.48 0.00 0.00 -2.27 0.00 0.00 179.45 177.66 3nq3 n ALA 142 N -2.41 2.10 -2.42 5.00 0.00 -1.23 -4.87 120.51 116.68 3nq3 n ALA 142 Ca 0.19 -0.10 -0.27 0.00 0.00 0.00 0.00 53.44 53.25 3nq3 n ALA 142 Cb 0.47 -1.33 -0.13 0.00 0.00 0.00 0.00 19.45 18.47 3nq3 n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3nq3 s LEU 143 N -2.44 2.35 -1.42 0.00 1.43 -0.20 -5.05 118.68 113.35 3nq3 s LEU 143 Ca 0.22 -0.78 -0.10 0.00 -1.03 0.00 0.00 54.13 52.44 3nq3 s LEU 143 Cb 0.14 -1.14 0.07 0.00 0.03 0.00 0.00 46.19 45.28 3nq3 s LEU 143 CO 0.29 0.14 2.29 -0.81 0.23 0.00 0.00 176.35 178.49 3nq3 n PRO 144 N 0.75 3.52 -3.23 1.29 -0.04 -1.26 -4.98 135.00 131.06 3nq3 n PRO 144 Ca -0.17 -2.93 -0.36 0.00 -0.04 0.00 0.00 63.50 59.99 3nq3 n PRO 144 Cb 0.54 -2.98 -0.06 0.00 -0.04 0.00 0.00 33.50 30.96 3nq3 n PRO 144 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3nq3 s MET 145 N 1.47 4.16 0.00 0.54 -1.94 -1.26 -4.28 119.30 117.98 3nq3 s MET 145 Ca 0.50 0.72 0.00 0.00 -1.71 0.00 0.00 55.69 55.20 3nq3 s MET 145 Cb 0.14 -2.99 0.00 0.00 2.01 0.00 0.00 34.83 33.99 3nq3 s MET 145 CO -0.06 0.48 0.21 0.72 -0.01 0.00 0.00 175.02 176.37 3nq3 n HIS 146 N 0.99 0.00 -3.82 -0.03 8.25 0.23 -4.94 115.22 115.91 3nq3 n HIS 146 Ca -0.05 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.29 3nq3 n HIS 146 Cb 0.51 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.51 3nq3 n HIS 146 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3nq3 s ILE 147 N -0.03 0.02 -0.03 1.59 2.07 -1.08 -4.67 121.20 119.07 3nq3 s ILE 147 Ca 0.00 -0.15 -0.01 0.00 -1.41 0.00 0.00 60.65 59.08 3nq3 s ILE 147 Cb 0.00 -0.32 0.03 0.00 0.13 0.00 0.00 42.46 42.30 3nq3 s ILE 147 CO 0.00 -0.08 0.07 -0.60 -1.91 0.00 0.00 174.94 172.41 3nq3 s ARG 148 N -0.24 0.01 0.13 3.50 3.52 -1.26 -1.43 118.95 123.18 3nq3 s ARG 148 Ca -0.03 0.22 0.10 0.00 -0.13 0.00 0.00 55.73 55.89 3nq3 s ARG 148 Cb -0.03 -0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.14 3nq3 s ARG 148 CO 0.01 -0.14 -0.24 -0.51 -0.81 0.00 0.00 175.30 173.61 3nq3 s LEU 149 N 0.92 2.33 -0.02 -0.88 1.43 0.88 -5.00 118.68 118.35 3nq3 s LEU 149 Ca -0.07 -0.75 -0.04 0.00 -1.03 0.00 0.00 54.13 52.24 3nq3 s LEU 149 Cb -0.10 -1.08 0.00 0.00 0.03 0.00 0.00 46.19 45.04 3nq3 s LEU 149 CO -0.03 0.12 0.08 -0.55 0.23 0.00 0.00 176.35 176.20 3nq3 s SER 150 N -2.11 -0.01 0.19 2.29 0.15 -1.26 -1.24 113.70 111.71 3nq3 s SER 150 Ca 0.12 -0.02 0.11 0.00 0.70 0.00 0.00 55.95 56.86 3nq3 s SER 150 Cb -0.10 0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 64.35 3nq3 s SER 150 CO 0.06 -0.15 -0.21 -0.36 1.20 0.00 0.00 173.24 173.77 3nq3 s PHE 151 N -0.53 2.36 0.36 3.44 0.08 -0.44 -5.02 117.98 118.24 3nq3 s PHE 151 Ca -0.06 -0.33 0.07 0.00 0.12 0.00 0.00 56.93 56.73 3nq3 s PHE 151 Cb -0.04 -1.16 -0.01 0.00 -0.57 0.00 0.00 43.02 41.24 3nq3 s PHE 151 CO 0.00 0.51 0.44 0.54 -0.10 0.00 0.00 175.22 176.61 3nq3 s ASN 152 N -2.74 5.67 0.56 1.36 2.20 -1.26 -4.92 114.94 115.81 3nq3 s ASN 152 Ca 0.22 -0.35 0.24 0.00 -0.94 0.00 0.00 52.86 52.02 3nq3 s ASN 152 Cb -0.08 -1.00 1.53 0.00 -2.00 0.00 0.00 41.25 39.70 3nq3 s ASN 152 CO 0.11 -0.49 2.15 -0.65 -2.94 0.00 0.00 177.10 175.27 3nq3 h PRO 153 N 0.94 0.00 -0.10 3.55 0.11 -1.94 -2.23 132.00 132.32 3nq3 h PRO 153 Ca -0.44 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 3nq3 h PRO 153 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3nq3 h PRO 153 CO 0.53 0.00 -0.24 1.15 -0.21 0.00 0.00 178.00 179.23 3nq3 h THR 154 N 0.00 1.39 -0.60 -1.15 2.02 -1.94 -2.89 112.91 109.74 3nq3 h THR 154 Ca 0.05 -1.54 -0.01 0.00 0.77 0.00 0.00 66.41 65.68 3nq3 h THR 154 Cb 0.25 2.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 3nq3 h THR 154 CO -0.00 0.45 0.32 1.56 0.37 0.00 0.00 175.52 178.22 3nq3 h GLN 155 N -0.11 0.83 0.00 6.66 4.20 -1.73 -2.46 115.11 122.50 3nq3 h GLN 155 Ca -0.00 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 3nq3 h GLN 155 Cb 0.84 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.45 3nq3 h GLN 155 CO 0.05 0.61 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.62 3nq3 h LEU 156 N 0.84 0.00 -1.08 1.46 3.38 -1.35 -1.64 115.31 116.92 3nq3 h LEU 156 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3nq3 h LEU 156 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3nq3 h LEU 156 CO -0.03 0.13 0.00 -0.62 0.09 0.00 0.00 178.44 178.01 3nq3 n GLU 157 N -3.53 1.74 -4.00 1.13 -0.58 -0.93 -4.92 120.64 109.56 3nq3 n GLU 157 Ca -0.01 -1.08 -0.24 0.00 -0.42 0.00 0.00 57.16 55.41 3nq3 n GLU 157 Cb 0.28 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.64 3nq3 n GLU 157 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3nq3 s GLU 158 N -1.99 3.29 0.02 3.49 0.41 -0.62 -5.05 118.70 118.25 3nq3 s GLU 158 Ca 0.37 -0.76 -0.30 0.00 -0.41 0.00 0.00 54.97 53.87 3nq3 s GLU 158 Cb 0.21 -2.84 -0.07 0.00 -1.78 0.00 0.00 34.13 29.65 3nq3 s GLU 158 CO 0.33 0.47 1.61 -0.65 -0.49 0.00 0.00 175.26 176.53 3nq3 s GLN 159 N -3.56 4.21 -1.93 1.61 -1.52 -1.26 -2.19 119.66 115.01 3nq3 s GLN 159 Ca 0.34 2.23 0.00 0.00 -1.95 0.00 0.00 55.36 55.97 3nq3 s GLN 159 Cb -0.10 -3.72 0.00 0.00 -0.22 0.00 0.00 33.01 28.98 3nq3 s GLN 159 CO 0.27 -0.74 0.00 0.00 -0.25 0.00 0.00 175.29 174.57 3nq3 n HIS 161 N -2.82 -2.78 1.12 0.00 8.25 -0.93 -5.06 115.22 113.00 3nq3 n HIS 161 Ca -0.20 1.00 0.09 0.00 -0.26 0.00 0.00 57.72 58.35 3nq3 n HIS 161 Cb 0.64 -5.01 0.53 0.00 1.12 0.00 0.00 29.99 27.27 3nq3 n HIS 161 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49