#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wqs s PRO 2 N 0.00 2.91 0.23 0.00 0.05 -1.26 -4.92 135.00 132.01 1wqs s PRO 2 Ca 0.00 1.30 -0.07 0.00 0.05 0.00 0.00 61.00 62.28 1wqs s PRO 2 Cb 0.00 -1.97 0.28 0.00 0.05 0.00 0.00 34.50 32.85 1wqs s PRO 2 CO 0.00 -1.15 1.87 -1.35 0.05 0.00 0.00 177.00 176.42 1wqs h PRO 3 N 0.01 1.00 0.00 0.56 0.11 -2.05 -2.18 132.00 129.45 1wqs h PRO 3 Ca -0.46 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 1wqs h PRO 3 Cb 1.24 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1wqs h PRO 3 CO 0.55 0.66 -0.12 1.79 -0.21 0.00 0.00 178.00 180.67 1wqs h THR 4 N 1.03 0.35 0.13 -1.15 1.35 -1.98 -0.04 112.91 112.60 1wqs h THR 4 Ca 0.35 -0.72 -0.35 0.00 -0.55 0.00 0.00 66.41 65.14 1wqs h THR 4 Cb 0.05 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.00 1wqs h THR 4 CO -0.13 0.11 -1.84 0.25 -0.25 0.00 0.00 175.52 173.66 1wqs h LEU 5 N 0.00 0.44 -1.59 3.87 5.85 -1.80 -3.31 115.31 118.77 1wqs h LEU 5 Ca -0.00 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 57.80 1wqs h LEU 5 Cb 0.53 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1wqs h LEU 5 CO 0.02 1.80 0.00 -0.50 -0.34 0.00 0.00 178.44 179.42 1wqs h TRP 6 N -0.02 0.00 -0.37 1.25 4.06 -0.97 -2.77 115.95 117.14 1wqs h TRP 6 Ca -0.39 0.00 0.05 0.00 2.06 0.00 0.00 58.89 60.61 1wqs h TRP 6 Cb 1.98 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 30.13 1wqs h TRP 6 CO 0.09 0.00 0.25 1.03 -3.56 0.00 0.00 178.44 176.25 1wqs h SER 7 N 0.00 0.26 0.17 -3.49 0.87 -1.10 -2.37 113.55 107.89 1wqs h SER 7 Ca 0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1wqs h SER 7 Cb 0.39 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1wqs h SER 7 CO 0.00 0.17 -0.32 -2.11 -0.53 0.00 0.00 176.83 174.05 1wqs n ARG 8 N -4.48 0.92 -2.83 2.24 1.85 -1.04 -4.71 116.66 108.61 1wqs n ARG 8 Ca 0.04 -0.61 -0.43 0.00 -1.00 0.00 0.00 57.85 55.85 1wqs n ARG 8 Cb 0.22 -1.49 -0.04 0.00 -1.05 0.00 0.00 32.46 30.10 1wqs n ARG 8 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1wqs s VAL 9 N -2.50 4.48 0.21 8.89 1.01 -0.89 -1.63 120.40 129.96 1wqs s VAL 9 Ca 0.23 0.71 0.10 0.00 0.00 0.00 0.00 61.98 63.02 1wqs s VAL 9 Cb 0.19 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1wqs s VAL 9 CO 0.54 -0.84 -0.15 0.68 0.00 0.00 0.00 175.10 175.33 1wqs s VAL 10 N 3.73 2.82 0.57 2.92 -7.23 -0.85 -4.93 120.40 117.44 1wqs s VAL 10 Ca 0.36 -1.91 -0.19 0.00 -1.81 0.00 0.00 61.98 58.43 1wqs s VAL 10 Cb -0.10 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 1wqs s VAL 10 CO 0.26 -0.17 1.16 -0.60 -0.31 0.00 0.00 175.10 175.44 1wqs s ARG 11 N -2.94 3.15 -0.29 4.82 3.52 -1.26 -1.25 118.95 124.70 1wqs s ARG 11 Ca 0.25 1.69 -0.03 0.00 -0.13 0.00 0.00 55.73 57.50 1wqs s ARG 11 Cb -0.08 -1.97 0.19 0.00 -1.56 0.00 0.00 34.95 31.53 1wqs s ARG 11 CO 0.14 -1.03 0.81 0.12 -0.81 0.00 0.00 175.30 174.53 1wqs s PHE 12 N -1.73 -1.17 0.00 5.12 2.19 -0.02 -4.71 117.98 117.66 1wqs s PHE 12 Ca 0.74 0.78 0.00 0.00 0.33 0.00 0.00 56.93 58.78 1wqs s PHE 12 Cb -0.26 0.24 0.00 0.00 -1.31 0.00 0.00 43.02 41.68 1wqs s PHE 12 CO 0.30 -0.67 0.00 0.41 1.83 0.00 0.00 175.22 177.09 1wqs n GLY 13 N 5.31 0.14 0.00 13.12 0.00 -1.26 -1.75 105.19 120.75 1wqs n GLY 13 Ca 0.05 -1.48 0.03 0.00 0.00 0.00 0.00 46.02 44.62 1wqs n GLY 13 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wqs n SER 14 N 0.78 0.00 0.00 1.61 2.88 -1.26 -4.78 113.62 112.85 1wqs n SER 14 Ca 0.00 -1.74 0.00 0.00 -1.33 0.00 0.00 58.87 55.80 1wqs n SER 14 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wqs n SER 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wqs n GLY 15 N 0.57 4.59 3.56 0.46 0.00 -0.81 -4.69 105.19 108.86 1wqs n GLY 15 Ca 0.05 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 1wqs n GLY 15 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wqs s TRP 16 N 1.93 0.93 0.03 1.61 0.52 -0.72 -0.84 118.94 122.40 1wqs s TRP 16 Ca 0.00 -1.25 -0.02 0.00 0.02 0.00 0.00 56.10 54.86 1wqs s TRP 16 Cb 0.00 0.11 0.01 0.00 -1.15 0.00 0.00 33.47 32.43 1wqs s TRP 16 CO 0.00 -1.27 0.08 0.41 0.02 0.00 0.00 176.95 176.20 1wqs n GLY 17 N -0.59 1.54 3.23 0.98 0.00 -0.38 -4.50 105.19 105.47 1wqs n GLY 17 Ca -0.01 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 1wqs n GLY 17 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wqs s PHE 18 N -6.89 -0.49 -0.79 1.61 2.19 0.42 -2.00 117.98 112.03 1wqs s PHE 18 Ca 0.02 1.09 -0.21 0.00 0.33 0.00 0.00 56.93 58.16 1wqs s PHE 18 Cb -0.00 0.18 0.09 0.00 -1.31 0.00 0.00 43.02 41.98 1wqs s PHE 18 CO 0.01 -0.27 1.06 -1.58 1.83 0.00 0.00 175.22 176.27 1wqs s TRP 19 N 0.97 2.83 -0.10 10.12 0.52 -0.65 -2.21 118.94 130.43 1wqs s TRP 19 Ca -0.06 -0.89 -0.26 0.00 0.02 0.00 0.00 56.10 54.91 1wqs s TRP 19 Cb -0.07 -4.32 -0.28 0.00 -1.15 0.00 0.00 33.47 27.65 1wqs s TRP 19 CO -0.08 -1.61 0.81 -0.24 0.02 0.00 0.00 176.95 175.85 1wqs h VAL 20 N 5.98 1.65 -2.87 4.03 3.04 -1.78 -3.46 116.25 122.83 1wqs h VAL 20 Ca -0.08 -2.43 0.00 0.00 -1.01 0.00 0.00 66.70 63.18 1wqs h VAL 20 Cb 1.05 3.28 0.00 0.00 -2.01 0.00 0.00 31.29 33.61 1wqs h VAL 20 CO 1.17 0.65 0.00 -1.54 -1.01 0.00 0.00 177.57 176.85 1wqs n SER 21 N -4.38 1.23 0.16 3.17 3.41 -1.10 -1.27 113.62 114.83 1wqs n SER 21 Ca -0.12 -0.64 0.01 0.00 -0.26 0.00 0.00 58.87 57.86 1wqs n SER 21 Cb 0.64 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.84 1wqs n SER 21 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1wqs h PRO 22 N 0.00 0.00 0.00 4.33 0.11 -1.78 -3.27 132.00 131.39 1wqs h PRO 22 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1wqs h PRO 22 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1wqs h PRO 22 CO 0.00 0.52 -1.51 0.25 -0.21 0.00 0.00 178.00 177.05 1wqs n THR 23 N -3.82 0.00 -3.73 -1.15 -2.24 -1.26 -2.63 114.28 99.45 1wqs n THR 23 Ca -0.01 -0.30 -0.36 0.00 -2.27 0.00 0.00 64.05 61.11 1wqs n THR 23 Cb 0.55 0.28 -0.07 0.00 -2.10 0.00 0.00 70.33 68.99 1wqs n THR 23 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1wqs s VAL 24 N -2.86 5.39 -0.12 2.28 1.01 -1.23 -1.57 120.40 123.30 1wqs s VAL 24 Ca -0.04 0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.20 1wqs s VAL 24 Cb 0.09 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 33.02 1wqs s VAL 24 CO 0.56 0.51 0.29 0.12 0.00 0.00 0.00 175.10 176.58 1wqs s PHE 25 N -0.27 -0.39 -0.07 5.22 2.19 -0.21 -2.18 117.98 122.28 1wqs s PHE 25 Ca 0.14 0.89 0.01 0.00 0.33 0.00 0.00 56.93 58.29 1wqs s PHE 25 Cb -0.12 0.11 -0.03 0.00 -1.31 0.00 0.00 43.02 41.66 1wqs s PHE 25 CO 0.03 -0.24 -0.07 0.42 1.83 0.00 0.00 175.22 177.19 1wqs s ILE 26 N 1.10 3.72 0.33 3.12 1.09 -0.94 0.11 121.20 129.73 1wqs s ILE 26 Ca -0.08 -0.47 -0.17 0.00 -1.10 0.00 0.00 60.65 58.83 1wqs s ILE 26 Cb -0.08 -2.52 0.06 0.00 -1.06 0.00 0.00 42.46 38.86 1wqs s ILE 26 CO -0.08 0.60 0.87 0.28 -0.10 0.00 0.00 174.94 176.50 1wqs s THR 27 N -0.80 0.00 -0.01 2.92 -1.32 -0.63 -0.44 115.64 115.36 1wqs s THR 27 Ca 0.12 -0.88 -0.15 0.00 -1.21 0.00 0.00 61.69 59.58 1wqs s THR 27 Cb -0.11 -2.93 -0.06 0.00 -1.51 0.00 0.00 72.50 67.90 1wqs s THR 27 CO 0.01 0.00 0.40 -0.89 -2.21 0.00 0.00 174.62 171.93 1wqs s THR 28 N -2.20 5.06 0.38 5.08 2.01 -1.26 -1.61 115.64 123.11 1wqs s THR 28 Ca 0.18 0.81 0.11 0.00 0.31 0.00 0.00 61.69 63.09 1wqs s THR 28 Cb -0.04 -3.70 0.13 0.00 0.01 0.00 0.00 72.50 68.89 1wqs s THR 28 CO 0.10 0.56 1.87 0.74 -0.69 0.00 0.00 174.62 177.21 1wqs h THR 29 N 3.79 1.21 -0.10 -0.82 2.02 -0.74 -2.83 112.91 115.45 1wqs h THR 29 Ca -0.51 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 65.68 1wqs h THR 29 Cb 1.22 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1wqs h THR 29 CO 0.62 0.30 0.00 0.00 0.37 0.00 0.00 175.52 176.81 1wqs n HIS 30 N -4.20 0.33 -1.61 3.16 1.44 -1.26 -2.27 115.22 110.81 1wqs n HIS 30 Ca -0.01 -0.12 0.05 0.00 -2.01 0.00 0.00 57.72 55.62 1wqs n HIS 30 Cb 0.33 -0.16 0.07 0.00 0.12 0.00 0.00 29.99 30.35 1wqs n HIS 30 CO 0.00 0.00 0.00 1.55 -2.81 0.00 0.00 176.34 175.08 1wqs n VAL 31 N 0.09 0.88 -0.03 0.61 3.14 -1.07 -4.83 118.33 117.12 1wqs n VAL 31 Ca 0.05 -1.11 -0.04 0.00 -2.96 0.00 0.00 64.34 60.28 1wqs n VAL 31 Cb 0.39 0.18 -0.03 0.00 -1.06 0.00 0.00 33.84 33.32 1wqs n VAL 31 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 1wqs n ILE 32 N -0.63 0.34 0.33 1.55 -5.35 -0.96 -4.42 119.36 110.21 1wqs n ILE 32 Ca 0.08 -0.15 0.21 0.00 -0.27 0.00 0.00 62.75 62.62 1wqs n ILE 32 Cb 0.69 -0.75 1.15 0.00 -1.74 0.00 0.00 39.64 38.99 1wqs n ILE 32 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1wqs h PRO 33 N 0.00 0.00 0.00 6.28 0.14 -1.88 -3.44 132.00 133.09 1wqs h PRO 33 Ca -0.13 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.01 1wqs h PRO 33 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.36 1wqs h PRO 33 CO -0.01 0.00 0.00 0.25 0.14 0.00 0.00 178.00 178.38 1wqs n THR 34 N -3.24 0.00 0.00 1.56 -2.24 -1.26 -4.16 114.28 104.94 1wqs n THR 34 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1wqs n THR 34 Cb 0.09 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1wqs n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wqs n GLY 35 N 0.00 2.44 0.00 3.38 0.00 -1.26 -5.21 105.19 104.54 1wqs n GLY 35 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1wqs n GLY 35 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wqs n VAL 36 N 0.00 0.00 0.00 1.61 0.24 -1.26 -5.13 118.33 113.79 1wqs n VAL 36 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1wqs n VAL 36 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1wqs n VAL 36 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1wqs n ARG 37 N 0.00 0.00 -3.50 7.34 0.63 -1.26 -5.07 116.66 114.80 1wqs n ARG 37 Ca 0.00 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.77 1wqs n ARG 37 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 1wqs n ARG 37 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 1wqs s GLU 38 N 0.00 1.07 0.04 -0.14 -1.05 -1.26 -2.67 118.70 114.68 1wqs s GLU 38 Ca 0.00 0.08 0.02 0.00 -0.15 0.00 0.00 54.97 54.92 1wqs s GLU 38 Cb 0.00 0.50 -0.02 0.00 -0.44 0.00 0.00 34.13 34.17 1wqs s GLU 38 CO 0.00 -0.37 -0.07 -0.06 0.95 0.00 0.00 175.26 175.71 1wqs s PHE 39 N -1.79 0.63 -1.53 4.83 0.40 0.25 -4.84 117.98 115.93 1wqs s PHE 39 Ca -0.07 -0.44 -0.08 0.00 -0.60 0.00 0.00 56.93 55.73 1wqs s PHE 39 Cb -0.00 -0.38 0.07 0.00 0.51 0.00 0.00 43.02 43.21 1wqs s PHE 39 CO 0.04 -0.07 0.58 1.19 0.70 0.00 0.00 175.22 177.65 1wqs n PHE 40 N 1.67 -1.71 -2.86 0.36 3.72 -1.26 0.82 117.46 118.20 1wqs n PHE 40 Ca -0.21 0.77 -0.20 0.00 -0.05 0.00 0.00 57.45 57.76 1wqs n PHE 40 Cb 0.55 -3.43 0.03 0.00 -0.94 0.00 0.00 39.48 35.69 1wqs n PHE 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wqs n GLY 41 N -1.77 -0.39 3.20 1.37 0.00 -1.26 -4.94 105.19 101.39 1wqs n GLY 41 Ca -0.15 0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 1wqs n GLY 41 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wqs s GLU 42 N -5.49 0.69 -0.02 1.61 -1.05 0.24 -5.13 118.70 109.56 1wqs s GLU 42 Ca 0.24 -0.50 -0.38 0.00 -0.15 0.00 0.00 54.97 54.18 1wqs s GLU 42 Cb -0.10 0.29 -0.17 0.00 -0.44 0.00 0.00 34.13 33.71 1wqs s GLU 42 CO 0.29 -0.20 1.44 -2.30 0.95 0.00 0.00 175.26 175.44 1wqs n PRO 43 N 0.85 1.09 0.12 -4.83 -0.02 -1.26 0.85 135.00 131.80 1wqs n PRO 43 Ca -0.20 0.40 0.05 0.00 -2.02 0.00 0.00 63.50 61.73 1wqs n PRO 43 Cb 0.58 -2.04 0.49 0.00 -0.02 0.00 0.00 33.50 32.51 1wqs n PRO 43 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1wqs h ILE 44 N 3.81 1.09 0.00 4.25 2.10 -1.85 1.02 117.51 127.93 1wqs h ILE 44 Ca -0.47 -0.30 0.00 0.00 1.08 0.00 0.00 64.86 65.17 1wqs h ILE 44 Cb 1.34 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 37.94 1wqs h ILE 44 CO 0.82 0.11 0.00 -1.84 -1.08 0.00 0.00 178.15 176.16 1wqs n GLU 45 N -4.44 0.57 -0.13 2.19 0.00 -1.26 -2.62 120.64 114.95 1wqs n GLU 45 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.19 1wqs n GLU 45 Cb 0.13 -1.02 0.04 0.00 0.00 0.00 0.00 31.44 30.59 1wqs n GLU 45 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1wqs n SER 46 N -0.44 1.22 -4.34 -1.84 3.41 0.35 -5.00 113.62 106.98 1wqs n SER 46 Ca 0.00 -2.08 -0.30 0.00 -0.26 0.00 0.00 58.87 56.23 1wqs n SER 46 Cb 0.01 -0.16 -0.15 0.00 -0.26 0.00 0.00 64.21 63.65 1wqs n SER 46 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1wqs s ILE 47 N -1.08 2.12 -0.30 -1.33 -1.09 -1.08 -3.38 121.20 115.05 1wqs s ILE 47 Ca 0.09 -1.36 -0.09 0.00 -2.23 0.00 0.00 60.65 57.05 1wqs s ILE 47 Cb 0.08 -1.81 -0.01 0.00 -1.58 0.00 0.00 42.46 39.14 1wqs s ILE 47 CO 0.01 0.38 0.15 0.00 -1.23 0.00 0.00 174.94 174.24 1wqs s ALA 48 N -0.79 3.28 -0.13 9.38 0.00 -0.54 -4.92 121.76 128.04 1wqs s ALA 48 Ca 0.11 -1.34 -0.04 0.00 0.00 0.00 0.00 51.96 50.70 1wqs s ALA 48 Cb -0.10 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.64 1wqs s ALA 48 CO 0.02 -0.83 0.00 0.42 0.00 0.00 0.00 175.76 175.37 1wqs s ILE 49 N 1.62 4.29 -0.32 0.00 1.01 -1.26 -1.37 121.20 125.18 1wqs s ILE 49 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.47 1wqs s ILE 49 Cb -0.17 -2.86 0.10 0.00 0.01 0.00 0.00 42.46 39.54 1wqs s ILE 49 CO 0.06 0.53 0.09 -1.00 0.00 0.00 0.00 174.94 174.63 1wqs s HIS 50 N -0.17 2.08 -0.37 3.97 3.76 0.13 -4.98 115.29 119.72 1wqs s HIS 50 Ca 0.05 -1.97 -0.20 0.00 -0.15 0.00 0.00 55.06 52.79 1wqs s HIS 50 Cb -0.13 -1.94 0.00 0.00 1.11 0.00 0.00 32.58 31.63 1wqs s HIS 50 CO 0.02 -0.89 0.59 0.50 -0.85 0.00 0.00 174.74 174.11 1wqs s ARG 51 N 1.48 3.58 -0.54 1.40 3.00 -1.26 -1.75 118.95 124.87 1wqs s ARG 51 Ca 0.10 -0.11 0.02 0.00 -1.00 0.00 0.00 55.73 54.74 1wqs s ARG 51 Cb -0.18 -3.83 0.14 0.00 0.00 0.00 0.00 34.95 31.08 1wqs s ARG 51 CO -0.22 -0.75 0.30 0.00 0.00 0.00 0.00 175.30 174.63 1wqs s ALA 52 N 2.60 3.36 0.00 6.12 0.00 -0.63 -5.01 121.76 128.21 1wqs s ALA 52 Ca 0.22 -3.22 0.00 0.00 0.00 0.00 0.00 51.96 48.96 1wqs s ALA 52 Cb -0.15 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.68 1wqs s ALA 52 CO 0.15 -2.02 0.00 0.41 0.00 0.00 0.00 175.76 174.30 1wqs n GLY 53 N 3.29 1.56 0.80 0.00 0.00 -1.26 -2.03 105.19 107.55 1wqs n GLY 53 Ca 0.06 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1wqs n GLY 53 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wqs n GLU 54 N 0.48 2.09 -4.11 1.61 4.07 -1.26 -4.75 120.64 118.77 1wqs n GLU 54 Ca 0.00 -1.60 -0.33 0.00 -0.06 0.00 0.00 57.16 55.17 1wqs n GLU 54 Cb 0.00 -1.47 -0.07 0.00 -0.06 0.00 0.00 31.44 29.84 1wqs n GLU 54 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 1wqs s PHE 55 N -1.95 3.29 -0.15 4.31 5.36 -0.86 -0.03 117.98 127.95 1wqs s PHE 55 Ca 0.32 0.21 -0.09 0.00 -0.96 0.00 0.00 56.93 56.41 1wqs s PHE 55 Cb 0.20 -1.74 0.05 0.00 -0.34 0.00 0.00 43.02 41.19 1wqs s PHE 55 CO 0.31 0.55 0.36 0.99 -1.46 0.00 0.00 175.22 175.97 1wqs s THR 56 N -1.17 -0.02 -0.04 0.12 2.01 -0.63 -1.60 115.64 114.30 1wqs s THR 56 Ca 0.22 0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.36 1wqs s THR 56 Cb -0.12 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 71.84 1wqs s THR 56 CO 0.13 0.03 -0.21 -1.58 -0.69 0.00 0.00 174.62 172.31 1wqs s GLN 57 N 1.02 2.36 -0.14 4.92 0.74 -0.72 -1.60 119.66 126.24 1wqs s GLN 57 Ca -0.07 -0.82 -0.03 0.00 0.05 0.00 0.00 55.36 54.49 1wqs s GLN 57 Cb -0.07 -2.21 -0.03 0.00 1.10 0.00 0.00 33.01 31.80 1wqs s GLN 57 CO -0.08 0.56 -0.05 -0.06 -0.55 0.00 0.00 175.29 175.11 1wqs s PHE 58 N -0.58 3.01 -0.17 1.67 0.08 0.31 0.19 117.98 122.48 1wqs s PHE 58 Ca 0.09 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 56.90 1wqs s PHE 58 Cb -0.11 -1.90 0.04 0.00 -0.57 0.00 0.00 43.02 40.48 1wqs s PHE 58 CO 0.00 0.04 -0.09 0.50 -0.10 0.00 0.00 175.22 175.57 1wqs s ARG 59 N 0.11 1.85 0.74 0.44 6.06 -0.47 -1.04 118.95 126.63 1wqs s ARG 59 Ca -0.01 -0.64 -0.05 0.00 -2.50 0.00 0.00 55.73 52.53 1wqs s ARG 59 Cb -0.14 -2.17 0.11 0.00 0.06 0.00 0.00 34.95 32.81 1wqs s ARG 59 CO 0.03 -0.38 1.03 -0.06 -2.50 0.00 0.00 175.30 173.41 1wqs s PHE 60 N 1.51 2.11 -0.14 5.12 0.40 -0.61 -1.46 117.98 124.91 1wqs s PHE 60 Ca 0.01 0.05 0.16 0.00 -0.60 0.00 0.00 56.93 56.56 1wqs s PHE 60 Cb -0.15 -3.21 -0.24 0.00 0.51 0.00 0.00 43.02 39.93 1wqs s PHE 60 CO -0.09 -1.68 0.30 0.43 0.70 0.00 0.00 175.22 174.88 1wqs n SER 61 N -2.95 0.31 -4.55 1.36 7.64 -1.22 -4.93 113.62 109.28 1wqs n SER 61 Ca 0.12 0.15 -0.24 0.00 1.01 0.00 0.00 58.87 59.91 1wqs n SER 61 Cb 0.60 0.66 -0.09 0.00 -1.01 0.00 0.00 64.21 64.37 1wqs n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wqs s ARG 62 N -2.57 1.90 -0.26 1.43 1.70 -1.26 -5.08 118.95 114.81 1wqs s ARG 62 Ca -0.08 -1.73 -0.29 0.00 -0.47 0.00 0.00 55.73 53.16 1wqs s ARG 62 Cb 0.07 -1.86 -0.00 0.00 -0.57 0.00 0.00 34.95 32.58 1wqs s ARG 62 CO 0.83 0.26 1.29 0.15 -1.08 0.00 0.00 175.30 176.76 1wqs s LYS 63 N -3.60 4.01 0.18 3.89 1.02 -1.26 -4.74 119.74 119.23 1wqs s LYS 63 Ca 0.32 1.38 0.22 0.00 0.02 0.00 0.00 55.97 57.91 1wqs s LYS 63 Cb -0.03 -3.85 -0.03 0.00 -0.52 0.00 0.00 37.83 33.40 1wqs s LYS 63 CO 0.17 -1.00 0.99 0.28 -0.92 0.00 0.00 175.35 174.87 1wqs n VAL 64 N 5.96 0.56 -3.50 3.17 0.31 -1.10 -4.56 118.33 119.17 1wqs n VAL 64 Ca 0.15 -0.54 -0.29 0.00 -0.01 0.00 0.00 64.34 63.64 1wqs n VAL 64 Cb 0.46 -0.30 -0.12 0.00 -0.91 0.00 0.00 33.84 32.97 1wqs n VAL 64 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1wqs s ARG 65 N -3.38 0.67 0.09 5.55 1.81 -1.08 -4.95 118.95 117.66 1wqs s ARG 65 Ca -0.01 -1.45 0.26 0.00 -1.72 0.00 0.00 55.73 52.81 1wqs s ARG 65 Cb 0.10 -1.46 0.79 0.00 -0.45 0.00 0.00 34.95 33.93 1wqs s ARG 65 CO 0.80 -1.21 1.66 -0.35 -0.68 0.00 0.00 175.30 175.53 1wqs n PRO 66 N 3.94 0.15 0.19 3.54 -0.04 -1.26 -2.12 135.00 139.39 1wqs n PRO 66 Ca 0.12 0.09 0.05 0.00 -0.04 0.00 0.00 63.50 63.71 1wqs n PRO 66 Cb 0.37 -1.64 0.36 0.00 -0.04 0.00 0.00 33.50 32.55 1wqs n PRO 66 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1wqs h ASP 67 N 0.00 0.00 -3.92 3.54 2.03 -1.97 -3.45 116.42 112.65 1wqs h ASP 67 Ca 0.00 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 55.84 1wqs h ASP 67 Cb 0.63 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.11 1wqs h ASP 67 CO 0.00 0.39 0.24 -0.76 -1.03 0.00 0.00 179.24 178.07 1wqs s LEU 68 N -7.45 3.97 0.86 0.15 1.43 -0.90 -5.05 118.68 111.69 1wqs s LEU 68 Ca -0.01 1.50 -0.12 0.00 -1.03 0.00 0.00 54.13 54.47 1wqs s LEU 68 Cb 0.12 -4.34 0.15 0.00 0.03 0.00 0.00 46.19 42.15 1wqs s LEU 68 CO 0.70 -0.31 1.21 -0.89 0.23 0.00 0.00 176.35 177.28 1wqs s THR 69 N -2.13 2.06 -0.24 5.49 2.01 -1.26 -4.45 115.64 117.12 1wqs s THR 69 Ca 0.58 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.48 1wqs s THR 69 Cb -0.10 -2.94 0.04 0.00 0.01 0.00 0.00 72.50 69.52 1wqs s THR 69 CO 0.16 0.00 -0.12 -0.83 -0.69 0.00 0.00 174.62 173.14 1wqs s GLY 70 N -4.75 1.59 0.72 4.40 0.00 -1.26 -4.45 107.32 103.56 1wqs s GLY 70 Ca 0.69 -1.58 -0.11 0.00 0.00 0.00 0.00 44.72 43.72 1wqs s GLY 70 CO 0.50 0.51 1.08 1.06 0.00 0.00 0.00 173.10 176.25 1wqs s MET 71 N 1.19 2.77 0.17 2.90 -1.94 -0.40 -4.97 119.30 119.01 1wqs s MET 71 Ca -0.04 0.68 -0.12 0.00 -1.71 0.00 0.00 55.69 54.50 1wqs s MET 71 Cb -0.18 -1.99 -0.07 0.00 2.01 0.00 0.00 34.83 34.60 1wqs s MET 71 CO -0.07 -1.15 0.52 0.08 -0.01 0.00 0.00 175.02 174.40 1wqs s VAL 72 N -3.19 4.93 -0.39 -6.03 1.01 -1.26 -4.82 120.40 110.64 1wqs s VAL 72 Ca 0.58 0.63 0.02 0.00 0.00 0.00 0.00 61.98 63.21 1wqs s VAL 72 Cb -0.13 -3.68 0.11 0.00 0.00 0.00 0.00 36.38 32.69 1wqs s VAL 72 CO 0.54 0.13 0.15 -0.22 0.00 0.00 0.00 175.10 175.70 1wqs s LEU 73 N -2.27 3.32 0.85 3.92 0.20 -1.25 -0.43 118.68 123.02 1wqs s LEU 73 Ca 0.41 -2.26 -0.13 0.00 0.69 0.00 0.00 54.13 52.84 1wqs s LEU 73 Cb -0.13 -1.22 0.11 0.00 -0.43 0.00 0.00 46.19 44.51 1wqs s LEU 73 CO 0.20 -0.34 1.19 -0.70 -0.29 0.00 0.00 176.35 176.41 1wqs s GLU 74 N 0.78 1.60 -0.85 1.98 2.12 0.16 -4.92 118.70 119.57 1wqs s GLU 74 Ca 0.13 0.07 -0.00 0.00 0.36 0.00 0.00 54.97 55.53 1wqs s GLU 74 Cb -0.21 -1.91 0.35 0.00 0.26 0.00 0.00 34.13 32.61 1wqs s GLU 74 CO -0.10 -1.84 1.77 -0.85 -0.54 0.00 0.00 175.26 173.71 1wqs n GLU 75 N -3.47 3.82 0.00 4.30 0.00 -1.26 -4.35 120.64 119.68 1wqs n GLU 75 Ca 0.09 -4.15 0.00 0.00 0.00 0.00 0.00 57.16 53.10 1wqs n GLU 75 Cb 0.60 -2.34 0.00 0.00 0.00 0.00 0.00 31.44 29.71 1wqs n GLU 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1wqs n GLY 76 N -0.34 3.22 3.84 -1.84 0.00 -1.10 -4.83 105.19 104.13 1wqs n GLY 76 Ca 0.48 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.40 1wqs n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqs s PRO 78 N -2.93 4.51 0.35 0.00 0.05 -1.26 -4.91 135.00 130.81 1wqs s PRO 78 Ca 0.55 1.92 -0.28 0.00 0.05 0.00 0.00 61.00 63.24 1wqs s PRO 78 Cb -0.11 -3.19 -0.12 0.00 0.05 0.00 0.00 34.50 31.13 1wqs s PRO 78 CO 0.17 -0.02 1.36 -1.91 0.05 0.00 0.00 177.00 176.65 1wqs n GLU 79 N 1.82 2.31 0.00 4.56 4.07 -1.26 -3.04 120.64 129.10 1wqs n GLU 79 Ca 0.02 0.81 0.00 0.00 -0.06 0.00 0.00 57.16 57.93 1wqs n GLU 79 Cb 0.44 -2.44 0.00 0.00 -0.06 0.00 0.00 31.44 29.38 1wqs n GLU 79 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1wqs n GLY 80 N 0.67 3.14 3.78 8.31 0.00 0.98 -5.00 105.19 117.07 1wqs n GLY 80 Ca 0.04 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 1wqs n GLY 80 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wqs s VAL 81 N -0.27 3.47 -0.25 1.61 -7.23 -1.17 -4.59 120.40 111.97 1wqs s VAL 81 Ca 0.00 0.75 -0.06 0.00 -1.81 0.00 0.00 61.98 60.87 1wqs s VAL 81 Cb 0.00 -3.27 -0.01 0.00 0.56 0.00 0.00 36.38 33.66 1wqs s VAL 81 CO 0.00 -0.36 0.03 0.54 -0.31 0.00 0.00 175.10 175.00 1wqs s VAL 82 N -2.23 3.84 0.63 1.32 0.11 -1.26 -2.21 120.40 120.60 1wqs s VAL 82 Ca 0.67 -0.45 0.02 0.00 -2.93 0.00 0.00 61.98 59.29 1wqs s VAL 82 Cb -0.19 -2.84 0.12 0.00 -1.53 0.00 0.00 36.38 31.94 1wqs s VAL 82 CO 0.35 0.29 0.87 0.00 -3.33 0.00 0.00 175.10 173.28 1wqs s SER 84 N -4.60 3.06 -0.62 0.00 0.01 -0.61 -1.86 113.70 109.08 1wqs s SER 84 Ca 0.59 -0.79 -0.26 0.00 1.31 0.00 0.00 55.95 56.79 1wqs s SER 84 Cb -0.04 -0.93 0.04 0.00 0.21 0.00 0.00 66.02 65.30 1wqs s SER 84 CO 0.39 -0.21 1.13 -0.51 0.41 0.00 0.00 173.24 174.45 1wqs s ILE 85 N 1.61 4.07 -0.56 1.44 1.10 0.63 -1.55 121.20 127.95 1wqs s ILE 85 Ca -0.01 0.51 -0.10 0.00 -0.51 0.00 0.00 60.65 60.54 1wqs s ILE 85 Cb -0.16 -4.72 -0.09 0.00 0.15 0.00 0.00 42.46 37.63 1wqs s ILE 85 CO -0.07 -1.42 1.73 0.18 -2.11 0.00 0.00 174.94 173.24 1wqs n LEU 86 N 8.35 3.08 -4.75 8.50 4.32 -0.46 -2.17 117.00 133.88 1wqs n LEU 86 Ca 0.04 -2.26 -0.41 0.00 -0.02 0.00 0.00 56.01 53.37 1wqs n LEU 86 Cb 0.48 -0.88 -0.03 0.00 -1.62 0.00 0.00 43.42 41.37 1wqs n LEU 86 CO 0.69 -0.33 0.88 -0.63 -1.22 0.00 0.00 177.39 176.78 1wqs s ILE 87 N 4.50 3.31 -0.18 -0.08 1.09 -1.08 -4.45 121.20 124.31 1wqs s ILE 87 Ca 0.35 1.22 -0.03 0.00 -1.10 0.00 0.00 60.65 61.10 1wqs s ILE 87 Cb 0.09 -3.78 -0.01 0.00 -1.06 0.00 0.00 42.46 37.69 1wqs s ILE 87 CO 0.04 0.25 -0.07 -0.54 -0.10 0.00 0.00 174.94 174.53 1wqs s LYS 88 N -1.02 3.44 0.25 2.79 1.02 -1.26 -2.36 119.74 122.59 1wqs s LYS 88 Ca 0.49 -0.62 0.01 0.00 0.02 0.00 0.00 55.97 55.88 1wqs s LYS 88 Cb -0.34 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 1wqs s LYS 88 CO 0.42 0.01 0.42 0.50 -0.92 0.00 0.00 175.35 175.78 1wqs s ARG 89 N 0.92 3.48 -1.23 1.68 6.06 0.40 -4.95 118.95 125.31 1wqs s ARG 89 Ca -0.01 -0.48 -0.13 0.00 -2.50 0.00 0.00 55.73 52.61 1wqs s ARG 89 Cb -0.15 -2.82 0.16 0.00 0.06 0.00 0.00 34.95 32.21 1wqs s ARG 89 CO 0.01 0.35 1.50 -0.25 -2.50 0.00 0.00 175.30 174.41 1wqs n ASP 90 N -1.17 5.19 -2.21 -2.12 9.92 -1.26 -3.64 116.55 121.26 1wqs n ASP 90 Ca -0.06 -2.99 -0.02 0.00 -0.53 0.00 0.00 54.79 51.19 1wqs n ASP 90 Cb 0.55 -1.57 0.03 0.00 -0.64 0.00 0.00 41.12 39.49 1wqs n ASP 90 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1wqs n SER 91 N 5.61 -0.81 0.00 -2.24 3.41 -1.26 -4.95 113.62 113.37 1wqs n SER 91 Ca 0.38 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.42 1wqs n SER 91 Cb 0.42 0.55 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 1wqs n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wqs n GLY 92 N -0.51 0.00 3.85 5.00 0.00 -1.24 -4.95 105.19 107.34 1wqs n GLY 92 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1wqs n GLY 92 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wqs s GLU 93 N 0.00 3.96 -0.11 1.61 -1.05 -1.25 -4.95 118.70 116.91 1wqs s GLU 93 Ca 0.00 0.55 0.03 0.00 -0.15 0.00 0.00 54.97 55.40 1wqs s GLU 93 Cb 0.00 -2.58 0.01 0.00 -0.44 0.00 0.00 34.13 31.12 1wqs s GLU 93 CO 0.00 0.26 -0.20 -0.51 0.95 0.00 0.00 175.26 175.75 1wqs s LEU 94 N -2.75 1.96 -0.37 1.83 1.02 -1.26 -0.45 118.68 118.65 1wqs s LEU 94 Ca 0.50 -0.51 0.00 0.00 0.02 0.00 0.00 54.13 54.14 1wqs s LEU 94 Cb -0.11 -1.28 0.12 0.00 0.02 0.00 0.00 46.19 44.94 1wqs s LEU 94 CO 0.19 0.10 0.19 -0.76 0.02 0.00 0.00 176.35 176.08 1wqs s LEU 95 N 0.61 1.96 -1.24 1.79 1.43 -0.99 -5.03 118.68 117.22 1wqs s LEU 95 Ca -0.13 -2.15 -0.10 0.00 -1.03 0.00 0.00 54.13 50.72 1wqs s LEU 95 Cb -0.17 -0.77 0.19 0.00 0.03 0.00 0.00 46.19 45.47 1wqs s LEU 95 CO 0.04 -0.33 1.70 -0.81 0.23 0.00 0.00 176.35 177.17 1wqs n PRO 96 N 4.15 3.63 -1.69 1.29 -0.04 -1.26 -2.65 135.00 138.43 1wqs n PRO 96 Ca 0.06 -3.74 -0.44 0.00 -0.04 0.00 0.00 63.50 59.34 1wqs n PRO 96 Cb 0.38 -2.91 -0.02 0.00 -0.04 0.00 0.00 33.50 30.91 1wqs n PRO 96 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1wqs n LEU 97 N 4.08 3.35 -4.81 1.53 4.77 -0.92 -4.67 117.00 120.32 1wqs n LEU 97 Ca 0.37 1.15 -0.38 0.00 -0.03 0.00 0.00 56.01 57.13 1wqs n LEU 97 Cb 0.38 -1.46 -0.06 0.00 -2.33 0.00 0.00 43.42 39.95 1wqs n LEU 97 CO 0.74 -0.41 0.06 0.00 -1.33 0.00 0.00 177.39 176.45 1wqs s ALA 98 N -0.25 3.69 -0.01 -1.18 0.00 -1.26 0.23 121.76 122.97 1wqs s ALA 98 Ca 0.65 -0.31 -0.08 0.00 0.00 0.00 0.00 51.96 52.23 1wqs s ALA 98 Cb -0.61 -2.36 0.01 0.00 0.00 0.00 0.00 23.12 20.16 1wqs s ALA 98 CO 0.52 0.40 0.17 0.08 0.00 0.00 0.00 175.76 176.92 1wqs s VAL 99 N -0.68 0.06 -0.13 0.00 1.01 -0.78 -0.98 120.40 118.92 1wqs s VAL 99 Ca 0.22 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 1wqs s VAL 99 Cb -0.15 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 1wqs s VAL 99 CO 0.10 -0.29 -0.00 -0.60 0.00 0.00 0.00 175.10 174.32 1wqs s ARG 100 N -1.07 3.39 -0.12 2.72 3.52 0.17 -0.39 118.95 127.17 1wqs s ARG 100 Ca -0.12 -0.43 -0.13 0.00 -0.13 0.00 0.00 55.73 54.92 1wqs s ARG 100 Cb -0.06 -2.91 -0.05 0.00 -1.56 0.00 0.00 34.95 30.37 1wqs s ARG 100 CO 0.02 0.48 0.30 -1.64 -0.81 0.00 0.00 175.30 173.64 1wqs s MET 101 N -0.25 4.06 0.00 5.12 -1.94 -0.94 -0.56 119.30 124.79 1wqs s MET 101 Ca 0.06 0.14 0.00 0.00 -1.71 0.00 0.00 55.69 54.17 1wqs s MET 101 Cb -0.12 -3.34 0.00 0.00 2.01 0.00 0.00 34.83 33.37 1wqs s MET 101 CO 0.02 0.42 0.00 0.41 -0.01 0.00 0.00 175.02 175.86 1wqs n GLY 102 N 2.82 4.73 3.76 -0.03 0.00 -0.24 -0.02 105.19 116.22 1wqs n GLY 102 Ca -0.13 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.53 1wqs n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqs s ALA 103 N -2.00 1.93 0.46 4.61 0.00 -1.26 -4.45 121.76 121.05 1wqs s ALA 103 Ca 0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 51.96 51.64 1wqs s ALA 103 Cb 0.00 -3.16 -0.08 0.00 0.00 0.00 0.00 23.12 19.88 1wqs s ALA 103 CO 0.00 -2.01 1.09 0.42 0.00 0.00 0.00 175.76 175.26 1wqs s ILE 104 N -3.03 3.48 0.34 0.00 1.01 -1.26 -0.84 121.20 120.90 1wqs s ILE 104 Ca 0.62 1.04 -0.17 0.00 0.00 0.00 0.00 60.65 62.14 1wqs s ILE 104 Cb -0.16 -3.49 0.06 0.00 0.01 0.00 0.00 42.46 38.88 1wqs s ILE 104 CO 0.56 -0.08 0.84 0.00 0.00 0.00 0.00 174.94 176.25 1wqs s ALA 105 N -1.72 -0.92 -0.18 9.38 0.00 0.18 -4.85 121.76 123.65 1wqs s ALA 105 Ca 0.64 -0.66 -0.04 0.00 0.00 0.00 0.00 51.96 51.90 1wqs s ALA 105 Cb -0.23 0.69 0.08 0.00 0.00 0.00 0.00 23.12 23.67 1wqs s ALA 105 CO 0.28 -1.00 0.22 -1.54 0.00 0.00 0.00 175.76 173.71 1wqs s SER 106 N -3.13 1.14 0.64 0.00 1.04 -1.26 -2.36 113.70 109.77 1wqs s SER 106 Ca 0.17 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.56 1wqs s SER 106 Cb -0.05 0.42 0.08 0.00 0.10 0.00 0.00 66.02 66.57 1wqs s SER 106 CO 0.10 -0.30 0.89 0.00 0.98 0.00 0.00 173.24 174.90 1wqs s MET 107 N 2.34 2.12 -0.07 4.02 0.23 -0.98 -4.91 119.30 122.06 1wqs s MET 107 Ca 0.06 -0.93 0.12 0.00 -1.03 0.00 0.00 55.69 53.90 1wqs s MET 107 Cb -0.15 -2.40 0.32 0.00 -1.53 0.00 0.00 34.83 31.07 1wqs s MET 107 CO -0.11 -1.08 1.25 0.36 -2.03 0.00 0.00 175.02 173.41 1wqs n LYS 108 N -2.59 2.74 -0.72 3.16 -0.00 -1.26 -0.53 118.16 118.96 1wqs n LYS 108 Ca 0.11 -2.25 -0.23 0.00 -0.00 0.00 0.00 58.31 55.95 1wqs n LYS 108 Cb 0.60 -1.42 0.01 0.00 -0.00 0.00 0.00 35.03 34.22 1wqs n LYS 108 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1wqs n ILE 109 N -0.18 0.00 -1.50 0.58 5.41 -1.15 -4.29 119.36 118.22 1wqs n ILE 109 Ca 0.13 -0.30 -0.41 0.00 1.00 0.00 0.00 62.75 63.18 1wqs n ILE 109 Cb 0.56 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.36 1wqs n ILE 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wqs n GLN 110 N 0.97 0.19 0.00 0.38 -0.00 -1.26 -1.69 117.38 115.97 1wqs n GLN 110 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.04 1wqs n GLN 110 Cb 0.29 -1.84 0.00 0.00 -0.00 0.00 0.00 30.24 28.69 1wqs n GLN 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wqs n GLY 111 N 6.44 0.89 3.45 2.61 0.00 -1.26 -5.04 105.19 112.28 1wqs n GLY 111 Ca 0.61 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.48 1wqs n GLY 111 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wqs s ARG 112 N -0.72 1.13 0.08 1.61 3.52 -0.68 -5.16 118.95 118.74 1wqs s ARG 112 Ca 0.00 -0.15 -0.20 0.00 -0.13 0.00 0.00 55.73 55.25 1wqs s ARG 112 Cb 0.00 0.53 -0.07 0.00 -1.56 0.00 0.00 34.95 33.85 1wqs s ARG 112 CO 0.00 -0.43 0.59 -0.48 -0.81 0.00 0.00 175.30 174.18 1wqs s LEU 113 N -1.98 4.53 -0.00 -0.88 2.34 -1.26 -2.96 118.68 118.47 1wqs s LEU 113 Ca -0.05 1.30 0.04 0.00 0.06 0.00 0.00 54.13 55.49 1wqs s LEU 113 Cb -0.01 -2.94 -0.01 0.00 -0.56 0.00 0.00 46.19 42.67 1wqs s LEU 113 CO -0.02 0.27 -0.14 -0.69 -1.06 0.00 0.00 176.35 174.71 1wqs s VAL 114 N -1.10 1.10 -0.03 1.48 1.01 0.32 -4.97 120.40 118.21 1wqs s VAL 114 Ca 0.30 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.70 1wqs s VAL 114 Cb -0.20 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 1wqs s VAL 114 CO 0.20 0.28 -0.21 -2.28 0.00 0.00 0.00 175.10 173.09 1wqs s HIS 115 N -0.38 1.90 -4.42 5.22 2.46 -1.26 -2.31 115.29 116.50 1wqs s HIS 115 Ca 0.05 -0.42 0.00 0.00 0.47 0.00 0.00 55.06 55.16 1wqs s HIS 115 Cb -0.06 -1.24 0.00 0.00 -0.13 0.00 0.00 32.58 31.16 1wqs s HIS 115 CO -0.00 -0.08 0.00 0.41 -2.47 0.00 0.00 174.74 172.60 1wqs n GLY 116 N 2.72 -1.30 3.64 1.59 0.00 -1.00 -4.67 105.19 106.18 1wqs n GLY 116 Ca -0.16 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 1wqs n GLY 116 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wqs s GLN 117 N -1.77 4.16 0.79 1.61 0.74 0.09 -0.65 119.66 124.64 1wqs s GLN 117 Ca 0.00 1.07 -0.11 0.00 0.05 0.00 0.00 55.36 56.38 1wqs s GLN 117 Cb 0.00 -3.67 0.08 0.00 1.10 0.00 0.00 33.01 30.52 1wqs s GLN 117 CO 0.00 -0.65 1.14 -1.54 -0.55 0.00 0.00 175.29 173.70 1wqs s SER 118 N 1.38 4.57 -0.09 6.67 1.04 -0.02 -0.42 113.70 126.83 1wqs s SER 118 Ca 0.40 0.71 -0.30 0.00 0.48 0.00 0.00 55.95 57.23 1wqs s SER 118 Cb -0.14 -1.23 0.12 0.00 0.10 0.00 0.00 66.02 64.86 1wqs s SER 118 CO 0.09 -1.84 0.97 -0.83 0.98 0.00 0.00 173.24 172.61 1wqs s GLY 119 N -4.57 -0.37 -0.04 7.32 0.00 -0.66 -1.07 107.32 107.93 1wqs s GLY 119 Ca 0.62 1.48 0.02 0.00 0.00 0.00 0.00 44.72 46.83 1wqs s GLY 119 CO 0.48 0.62 -0.07 1.06 0.00 0.00 0.00 173.10 175.19 1wqs s MET 120 N -2.28 2.67 0.12 2.90 -1.94 0.28 -1.50 119.30 119.55 1wqs s MET 120 Ca 0.03 -0.61 -0.07 0.00 -1.71 0.00 0.00 55.69 53.33 1wqs s MET 120 Cb -0.01 -2.56 -0.06 0.00 2.01 0.00 0.00 34.83 34.22 1wqs s MET 120 CO -0.05 0.64 0.38 -0.51 -0.01 0.00 0.00 175.02 175.48 1wqs s LEU 121 N -1.06 4.30 -1.00 -0.03 1.02 -1.12 0.43 118.68 121.22 1wqs s LEU 121 Ca 0.14 0.67 -0.01 0.00 0.02 0.00 0.00 54.13 54.95 1wqs s LEU 121 Cb -0.11 -3.17 0.32 0.00 0.02 0.00 0.00 46.19 43.24 1wqs s LEU 121 CO 0.04 0.10 1.62 0.18 0.02 0.00 0.00 176.35 178.31 1wqs n LEU 122 N 0.42 6.74 0.00 1.79 4.32 -0.15 -4.70 117.00 125.43 1wqs n LEU 122 Ca -0.05 -5.36 0.00 0.00 -0.02 0.00 0.00 56.01 50.58 1wqs n LEU 122 Cb 0.52 -1.14 0.00 0.00 -1.62 0.00 0.00 43.42 41.18 1wqs n LEU 122 CO 0.46 1.96 -0.01 0.41 -1.22 0.00 0.00 177.39 178.99 1wqs n THR 123 N 0.38 0.00 0.00 -5.08 -1.04 -1.26 -4.77 114.28 102.51 1wqs n THR 123 Ca 0.39 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.31 1wqs n THR 123 Cb 0.30 0.88 0.00 0.00 -1.82 0.00 0.00 70.33 69.69 1wqs n THR 123 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wqs n GLY 124 N 0.24 0.76 3.17 3.41 0.00 -1.26 -4.81 105.19 106.70 1wqs n GLY 124 Ca 0.00 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 1wqs n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqs s ALA 125 N -1.03 2.83 0.05 4.61 0.00 -1.26 -4.99 121.76 121.96 1wqs s ALA 125 Ca 0.00 -1.78 -0.32 0.00 0.00 0.00 0.00 51.96 49.86 1wqs s ALA 125 Cb 0.00 -1.96 -0.18 0.00 0.00 0.00 0.00 23.12 20.99 1wqs s ALA 125 CO 0.00 -1.29 1.46 -0.91 0.00 0.00 0.00 175.76 175.03 1wqs h ASN 126 N 8.00 -0.97 -3.92 0.00 2.35 -1.87 -3.44 115.58 115.73 1wqs h ASN 126 Ca -0.21 0.03 -0.53 0.00 -0.55 0.00 0.00 56.30 55.04 1wqs h ASN 126 Cb 1.06 0.25 0.09 0.00 0.05 0.00 0.00 38.32 39.78 1wqs h ASN 126 CO 0.54 -0.69 0.74 0.00 -1.65 0.00 0.00 177.43 176.37 1wqs s ALA 127 N -5.50 3.55 -0.30 -0.83 0.00 -1.26 -3.14 121.76 114.29 1wqs s ALA 127 Ca -0.17 1.48 0.18 0.00 0.00 0.00 0.00 51.96 53.45 1wqs s ALA 127 Cb 0.02 -3.57 0.46 0.00 0.00 0.00 0.00 23.12 20.03 1wqs s ALA 127 CO 0.50 -0.93 1.29 1.63 0.00 0.00 0.00 175.76 178.25 1wqs n LYS 128 N 0.59 1.54 0.00 0.00 4.76 -1.26 -4.64 118.16 119.14 1wqs n LYS 128 Ca 0.01 -2.52 0.00 0.00 -2.87 0.00 0.00 58.31 52.93 1wqs n LYS 128 Cb 0.40 -0.72 0.00 0.00 -1.84 0.00 0.00 35.03 32.87 1wqs n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wqs n GLY 129 N -0.95 2.01 0.00 0.72 0.00 -1.26 -4.62 105.19 101.09 1wqs n GLY 129 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1wqs n GLY 129 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wqs n MET 130 N 0.00 4.27 0.00 1.61 2.81 -1.26 -5.16 117.12 119.38 1wqs n MET 130 Ca 0.00 -0.16 0.00 0.00 -1.81 0.00 0.00 57.70 55.73 1wqs n MET 130 Cb 0.00 -0.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.86 1wqs n MET 130 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1wqs n ASP 131 N -0.65 0.00 -2.52 7.83 2.03 -1.26 -4.97 116.55 117.01 1wqs n ASP 131 Ca 0.00 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.02 1wqs n ASP 131 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 1wqs n ASP 131 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1wqs n LEU 132 N 0.00 5.29 0.00 -2.67 7.99 -1.19 -4.90 117.00 121.53 1wqs n LEU 132 Ca 0.00 -5.09 0.00 0.00 -0.01 0.00 0.00 56.01 50.91 1wqs n LEU 132 Cb 0.00 -0.57 0.00 0.00 -0.11 0.00 0.00 43.42 42.74 1wqs n LEU 132 CO 0.00 2.13 0.00 0.61 -1.51 0.00 0.00 177.39 178.62 1wqs n GLY 133 N -0.52 6.90 3.74 -0.72 0.00 -1.26 -4.84 105.19 108.49 1wqs n GLY 133 Ca 0.43 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.20 1wqs n GLY 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wqs s THR 134 N 0.31 5.08 0.26 2.61 -4.23 -1.26 -5.01 115.64 113.39 1wqs s THR 134 Ca 0.00 1.11 0.08 0.00 -1.18 0.00 0.00 61.69 61.70 1wqs s THR 134 Cb 0.00 -3.88 -0.04 0.00 1.34 0.00 0.00 72.50 69.92 1wqs s THR 134 CO 0.00 0.35 0.12 -1.48 -0.54 0.00 0.00 174.62 173.07 1wqs s LEU 135 N 0.34 3.58 0.04 4.79 -0.00 -1.26 -5.00 118.68 121.17 1wqs s LEU 135 Ca 0.29 -0.40 -0.38 0.00 -0.00 0.00 0.00 54.13 53.65 1wqs s LEU 135 Cb -0.16 -2.11 -0.19 0.00 -0.00 0.00 0.00 46.19 43.72 1wqs s LEU 135 CO 0.14 -0.02 1.01 -2.65 -0.00 0.00 0.00 176.35 174.83 1wqs n PRO 136 N -1.05 0.11 0.00 1.48 -0.02 -1.26 -2.34 135.00 131.91 1wqs n PRO 136 Ca -0.07 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1wqs n PRO 136 Cb 0.58 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 1wqs n PRO 136 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wqs n GLY 137 N 1.65 0.62 0.06 -1.23 0.00 -1.26 -4.96 105.19 100.06 1wqs n GLY 137 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 1wqs n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wqs n ASP 138 N 0.00 0.41 -4.62 1.61 8.00 -0.99 -4.70 116.55 116.26 1wqs n ASP 138 Ca 0.00 0.14 -0.51 0.00 0.71 0.00 0.00 54.79 55.13 1wqs n ASP 138 Cb 0.00 1.25 -0.06 0.00 -0.02 0.00 0.00 41.12 42.29 1wqs n ASP 138 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wqs n GLY 140 N 2.93 0.76 3.77 0.00 0.00 0.14 -2.96 105.19 109.82 1wqs n GLY 140 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1wqs n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqs s ALA 141 N -2.00 3.23 0.60 4.61 0.00 -0.93 -3.64 121.76 123.63 1wqs s ALA 141 Ca 0.00 1.10 -0.13 0.00 0.00 0.00 0.00 51.96 52.93 1wqs s ALA 141 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1wqs s ALA 141 CO 0.00 -0.65 1.03 -1.25 0.00 0.00 0.00 175.76 174.89 1wqs s PRO 142 N -2.19 3.56 -0.39 0.00 0.04 -1.26 -0.89 135.00 133.87 1wqs s PRO 142 Ca 0.56 0.87 -0.06 0.00 0.04 0.00 0.00 61.00 62.40 1wqs s PRO 142 Cb -0.34 -2.08 0.08 0.00 0.04 0.00 0.00 34.50 32.20 1wqs s PRO 142 CO 0.44 -0.60 0.19 0.71 0.04 0.00 0.00 177.00 177.78 1wqs s TYR 143 N -2.97 3.39 0.03 0.56 4.12 -0.31 -1.35 117.35 120.81 1wqs s TYR 143 Ca 0.57 -1.82 0.08 0.00 0.02 0.00 0.00 57.07 55.92 1wqs s TYR 143 Cb -0.12 -2.82 -0.03 0.00 -1.52 0.00 0.00 41.96 37.47 1wqs s TYR 143 CO 0.47 -0.86 -0.21 0.14 0.02 0.00 0.00 175.55 175.11 1wqs s VAL 144 N 1.32 2.55 0.06 0.71 -7.23 -0.59 -2.56 120.40 114.65 1wqs s VAL 144 Ca 0.03 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 1wqs s VAL 144 Cb -0.22 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 1wqs s VAL 144 CO -0.00 0.38 -0.04 -0.72 -0.31 0.00 0.00 175.10 174.41 1wqs s TYR 145 N -0.85 0.58 -0.25 2.82 -0.85 -0.93 -1.57 117.35 116.30 1wqs s TYR 145 Ca 0.13 -0.87 -0.26 0.00 -0.52 0.00 0.00 57.07 55.55 1wqs s TYR 145 Cb -0.10 -0.38 -0.00 0.00 0.38 0.00 0.00 41.96 41.85 1wqs s TYR 145 CO 0.03 -0.26 0.88 0.21 -1.52 0.00 0.00 175.55 174.90 1wqs s LYS 146 N -3.20 4.17 0.00 -3.49 2.20 -1.26 -0.26 119.74 117.91 1wqs s LYS 146 Ca 0.02 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 1wqs s LYS 146 Cb 0.02 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 1wqs s LYS 146 CO -0.06 -0.58 0.00 -2.13 -0.36 0.00 0.00 175.35 172.22 1wqs n ARG 147 N 6.14 0.00 0.00 4.03 3.00 0.14 -4.94 116.66 125.03 1wqs n ARG 147 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 1wqs n ARG 147 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.93 1wqs n ARG 147 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1wqs n ASN 148 N 0.00 0.00 -0.66 6.15 5.15 -1.26 -4.48 115.26 120.17 1wqs n ASN 148 Ca 0.00 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.11 1wqs n ASN 148 Cb 0.00 0.00 0.28 0.00 -0.53 0.00 0.00 39.78 39.53 1wqs n ASN 148 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1wqs n ASN 149 N 0.00 2.12 -4.56 1.20 6.94 -1.26 -4.91 115.26 114.79 1wqs n ASN 149 Ca 0.00 -1.65 -0.31 0.00 -0.02 0.00 0.00 54.58 52.61 1wqs n ASN 149 Cb 0.00 0.06 -0.10 0.00 -2.36 0.00 0.00 39.78 37.38 1wqs n ASN 149 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1wqs s ASP 150 N -2.10 4.37 -0.12 0.53 -0.00 -1.26 -5.11 116.67 112.98 1wqs s ASP 150 Ca 0.31 -0.32 -0.16 0.00 -0.00 0.00 0.00 52.55 52.37 1wqs s ASP 150 Cb 0.20 -0.87 -0.05 0.00 -0.00 0.00 0.00 42.92 42.20 1wqs s ASP 150 CO 0.36 0.22 0.39 0.86 -0.00 0.00 0.00 175.17 177.01 1wqs s TRP 151 N -1.11 3.53 0.36 4.23 -0.11 -1.26 0.28 118.94 124.86 1wqs s TRP 151 Ca 0.19 0.79 0.03 0.00 1.22 0.00 0.00 56.10 58.34 1wqs s TRP 151 Cb -0.11 -2.43 -0.04 0.00 -1.50 0.00 0.00 33.47 29.39 1wqs s TRP 151 CO 0.11 0.27 0.11 0.14 -4.62 0.00 0.00 176.95 172.96 1wqs s VAL 152 N 0.28 0.74 -0.02 5.86 -7.23 0.64 -4.42 120.40 116.26 1wqs s VAL 152 Ca 0.22 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.43 1wqs s VAL 152 Cb -0.15 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 1wqs s VAL 152 CO 0.08 0.00 -0.15 0.68 -0.31 0.00 0.00 175.10 175.41 1wqs s VAL 153 N -3.31 1.18 -0.24 1.32 -7.23 0.43 -2.20 120.40 110.35 1wqs s VAL 153 Ca 0.29 -0.61 -0.01 0.00 -1.81 0.00 0.00 61.98 59.84 1wqs s VAL 153 Cb 0.05 -1.00 -0.15 0.00 0.56 0.00 0.00 36.38 35.85 1wqs s VAL 153 CO 0.15 0.34 -0.23 0.00 -0.31 0.00 0.00 175.10 175.05 1wqs n GLY 155 N 2.20 0.82 3.35 0.00 0.00 -1.26 -2.72 105.19 107.57 1wqs n GLY 155 Ca -0.43 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 44.67 1wqs n GLY 155 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wqs s VAL 156 N -2.15 1.77 -0.29 1.61 -7.23 -0.59 -1.17 120.40 112.35 1wqs s VAL 156 Ca 0.00 -2.18 -0.29 0.00 -1.81 0.00 0.00 61.98 57.70 1wqs s VAL 156 Cb 0.00 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.92 1wqs s VAL 156 CO 0.00 -0.56 1.23 -2.28 -0.31 0.00 0.00 175.10 173.18 1wqs s HIS 157 N -2.85 2.83 -0.22 2.82 2.46 -0.07 0.05 115.29 120.30 1wqs s HIS 157 Ca 0.22 0.98 -0.14 0.00 0.47 0.00 0.00 55.06 56.59 1wqs s HIS 157 Cb -0.01 -3.80 -0.18 0.00 -0.13 0.00 0.00 32.58 28.46 1wqs s HIS 157 CO 0.07 -1.45 -0.00 0.00 -2.47 0.00 0.00 174.74 170.89 1wqs n ALA 158 N 7.29 1.02 -3.72 1.58 0.00 -0.38 0.24 120.51 126.54 1wqs n ALA 158 Ca 0.14 -0.78 0.02 0.00 0.00 0.00 0.00 53.44 52.81 1wqs n ALA 158 Cb 0.46 -0.30 0.02 0.00 0.00 0.00 0.00 19.45 19.64 1wqs n ALA 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wqs n ALA 159 N -3.59 -1.81 -3.64 0.00 0.00 -1.18 -4.85 120.51 105.44 1wqs n ALA 159 Ca -0.41 -1.04 -0.10 0.00 0.00 0.00 0.00 53.44 51.89 1wqs n ALA 159 Cb 0.85 0.76 -0.07 0.00 0.00 0.00 0.00 19.45 20.99 1wqs n ALA 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wqs s ALA 160 N -1.93 -1.93 1.22 0.00 0.00 -1.26 -0.74 121.76 117.12 1wqs s ALA 160 Ca 0.16 2.03 -0.14 0.00 0.00 0.00 0.00 51.96 54.01 1wqs s ALA 160 Cb -0.04 -1.38 0.31 0.00 0.00 0.00 0.00 23.12 22.01 1wqs s ALA 160 CO 0.09 -0.30 1.01 0.95 0.00 0.00 0.00 175.76 177.50 1wqs s THR 161 N 0.57 1.92 -0.68 0.00 -4.23 -0.80 -4.89 115.64 107.53 1wqs s THR 161 Ca -0.01 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 60.75 1wqs s THR 161 Cb -0.05 -2.05 0.08 0.00 1.34 0.00 0.00 72.50 71.83 1wqs s THR 161 CO -0.06 0.00 1.40 1.17 -0.54 0.00 0.00 174.62 176.59 1wqs n LYS 162 N -5.08 0.27 -0.47 3.99 0.00 -1.26 -3.00 118.16 112.61 1wqs n LYS 162 Ca 0.03 0.10 0.06 0.00 0.00 0.00 0.00 58.31 58.50 1wqs n LYS 162 Cb 0.55 -1.69 0.25 0.00 0.00 0.00 0.00 35.03 34.13 1wqs n LYS 162 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1wqs n SER 163 N -2.10 3.56 0.00 3.14 2.88 -1.26 -4.73 113.62 115.11 1wqs n SER 163 Ca 0.04 -2.39 0.00 0.00 -1.33 0.00 0.00 58.87 55.19 1wqs n SER 163 Cb 0.43 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 1wqs n SER 163 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wqs n GLY 164 N 0.72 0.58 0.24 0.46 0.00 -1.16 -4.47 105.19 101.55 1wqs n GLY 164 Ca 0.17 -0.67 -0.02 0.00 0.00 0.00 0.00 46.02 45.50 1wqs n GLY 164 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wqs n ASN 165 N 2.74 -0.45 -4.77 1.61 4.13 -1.26 -4.52 115.26 112.73 1wqs n ASN 165 Ca 0.00 1.05 -0.40 0.00 1.68 0.00 0.00 54.58 56.91 1wqs n ASN 165 Cb 0.00 -0.21 -0.02 0.00 -1.54 0.00 0.00 39.78 38.01 1wqs n ASN 165 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1wqs s THR 166 N -5.50 2.66 0.09 3.41 2.01 -1.26 -2.80 115.64 114.25 1wqs s THR 166 Ca -0.08 0.66 -0.01 0.00 0.31 0.00 0.00 61.69 62.57 1wqs s THR 166 Cb 0.11 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 1wqs s THR 166 CO 0.41 0.15 0.00 0.68 -0.69 0.00 0.00 174.62 175.17 1wqs s VAL 167 N -1.16 0.22 -0.04 3.82 -7.23 -0.56 -1.91 120.40 113.54 1wqs s VAL 167 Ca 0.50 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.85 1wqs s VAL 167 Cb -0.40 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 34.80 1wqs s VAL 167 CO 0.53 -0.78 -0.13 0.68 -0.31 0.00 0.00 175.10 175.09 1wqs s VAL 168 N -3.94 1.14 -0.18 1.32 -7.23 0.08 -1.66 120.40 109.93 1wqs s VAL 168 Ca 0.14 -0.55 -0.04 0.00 -1.81 0.00 0.00 61.98 59.72 1wqs s VAL 168 Cb 0.08 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 36.00 1wqs s VAL 168 CO -0.05 0.34 -0.03 0.00 -0.31 0.00 0.00 175.10 175.05 1wqs s ALA 170 N 0.77 3.24 -0.00 0.00 0.00 0.11 -0.73 121.76 125.15 1wqs s ALA 170 Ca -0.01 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.64 1wqs s ALA 170 Cb -0.14 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1wqs s ALA 170 CO 0.02 -0.00 -0.07 0.14 0.00 0.00 0.00 175.76 175.85 1wqs s VAL 171 N -1.46 0.55 0.38 0.00 -7.23 -1.26 -1.54 120.40 109.85 1wqs s VAL 171 Ca 0.50 -0.36 -0.28 0.00 -1.81 0.00 0.00 61.98 60.03 1wqs s VAL 171 Cb -0.24 -0.48 -0.10 0.00 0.56 0.00 0.00 36.38 36.12 1wqs s VAL 171 CO 0.30 0.12 1.44 -1.58 -0.31 0.00 0.00 175.10 175.06 1wqs s GLN 172 N -0.27 4.08 0.00 4.82 -0.44 -1.26 -4.79 119.66 121.80 1wqs s GLN 172 Ca 0.02 2.47 0.00 0.00 -2.50 0.00 0.00 55.36 55.35 1wqs s GLN 172 Cb -0.03 -2.93 0.00 0.00 -1.64 0.00 0.00 33.01 28.41 1wqs s GLN 172 CO -0.00 -0.52 0.00 0.00 0.50 0.00 0.00 175.29 175.27