#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wqs n PRO 2 N 0.00 3.12 0.00 0.00 -0.02 -1.26 -4.98 135.00 131.86 1wqs n PRO 2 Ca 0.00 -3.04 0.00 0.00 -2.02 0.00 0.00 63.50 58.44 1wqs n PRO 2 Cb 0.00 -3.26 0.00 0.00 -0.02 0.00 0.00 33.50 30.22 1wqs n PRO 2 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1wqs n PRO 3 N 6.24 0.00 0.00 0.52 -0.04 -1.26 -4.90 135.00 135.57 1wqs n PRO 3 Ca 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 1wqs n PRO 3 Cb 0.41 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1wqs n PRO 3 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1wqs n THR 4 N 1.68 0.33 -0.05 0.52 -1.04 -1.26 -2.33 114.28 112.13 1wqs n THR 4 Ca 0.00 0.42 0.00 0.00 -2.04 0.00 0.00 64.05 62.43 1wqs n THR 4 Cb 0.00 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.09 1wqs n THR 4 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1wqs n LEU 5 N -1.02 0.00 -0.04 -4.42 0.00 -1.26 -4.66 117.00 105.60 1wqs n LEU 5 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.88 1wqs n LEU 5 Cb 0.33 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.68 1wqs n LEU 5 CO 0.00 0.00 0.64 -0.50 0.00 0.00 0.00 177.39 177.53 1wqs h TRP 6 N 0.00 0.27 -0.03 1.96 4.06 -1.88 -3.25 115.95 117.08 1wqs h TRP 6 Ca 0.00 -0.07 -0.00 0.00 2.06 0.00 0.00 58.89 60.87 1wqs h TRP 6 Cb 0.00 -0.06 -0.00 0.00 -1.00 0.00 0.00 29.16 28.10 1wqs h TRP 6 CO 0.00 0.62 0.00 0.43 -3.56 0.00 0.00 178.44 175.93 1wqs n SER 7 N -4.68 1.26 -1.54 -3.49 7.64 -0.98 0.10 113.62 111.92 1wqs n SER 7 Ca -0.07 -2.04 0.09 0.00 1.01 0.00 0.00 58.87 57.87 1wqs n SER 7 Cb 0.30 -0.51 0.35 0.00 -1.01 0.00 0.00 64.21 63.34 1wqs n SER 7 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1wqs n ARG 8 N 0.04 3.55 -4.36 1.43 0.00 -1.23 -4.78 116.66 111.30 1wqs n ARG 8 Ca 0.01 -2.77 -0.34 0.00 -0.00 0.00 0.00 57.85 54.75 1wqs n ARG 8 Cb 0.30 -1.84 -0.15 0.00 -0.00 0.00 0.00 32.46 30.77 1wqs n ARG 8 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1wqs s VAL 9 N -1.74 2.89 0.08 8.89 1.01 0.29 -2.51 120.40 129.31 1wqs s VAL 9 Ca 0.50 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1wqs s VAL 9 Cb 0.31 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1wqs s VAL 9 CO 0.25 0.49 -0.06 0.68 0.00 0.00 0.00 175.10 176.47 1wqs s VAL 10 N 0.94 0.56 0.37 2.92 -7.23 -0.96 -4.97 120.40 112.03 1wqs s VAL 10 Ca -0.02 -1.82 -0.28 0.00 -1.81 0.00 0.00 61.98 58.04 1wqs s VAL 10 Cb -0.15 -1.54 -0.11 0.00 0.56 0.00 0.00 36.38 35.14 1wqs s VAL 10 CO -0.01 -0.86 1.47 -0.60 -0.31 0.00 0.00 175.10 174.79 1wqs s ARG 11 N -3.65 4.13 -0.48 4.82 6.06 -1.26 -0.81 118.95 127.76 1wqs s ARG 11 Ca 0.09 2.54 0.06 0.00 -2.50 0.00 0.00 55.73 55.92 1wqs s ARG 11 Cb 0.05 -2.98 0.22 0.00 0.06 0.00 0.00 34.95 32.29 1wqs s ARG 11 CO -0.06 -0.51 0.72 0.34 -2.50 0.00 0.00 175.30 173.30 1wqs n PHE 12 N 0.54 -2.79 0.00 5.12 -0.00 0.41 -4.76 117.46 115.97 1wqs n PHE 12 Ca 0.01 -2.07 0.00 0.00 -0.00 0.00 0.00 57.45 55.39 1wqs n PHE 12 Cb 0.39 1.11 0.00 0.00 -0.00 0.00 0.00 39.48 40.98 1wqs n PHE 12 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1wqs n GLY 13 N 2.17 1.00 0.19 7.13 0.00 -1.26 -3.41 105.19 111.02 1wqs n GLY 13 Ca 0.16 -1.08 0.08 0.00 0.00 0.00 0.00 46.02 45.18 1wqs n GLY 13 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wqs h SER 14 N 0.00 0.00 0.00 1.61 4.64 -1.93 -3.48 113.55 114.39 1wqs h SER 14 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wqs h SER 14 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1wqs h SER 14 CO 0.00 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 1wqs n GLY 15 N 0.97 5.30 3.41 -0.77 0.00 -1.22 -4.69 105.19 108.19 1wqs n GLY 15 Ca 0.02 -1.45 -0.22 0.00 0.00 0.00 0.00 46.02 44.37 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 2.74 1.72 0.26 1.61 0.52 0.47 -0.45 118.94 125.82 1wqs s TRP 16 Ca 0.00 -1.39 -0.20 0.00 0.02 0.00 0.00 56.10 54.53 1wqs s TRP 16 Cb 0.00 -0.97 0.02 0.00 -1.15 0.00 0.00 33.47 31.37 1wqs s TRP 16 CO 0.00 -0.49 0.68 0.20 0.02 0.00 0.00 176.95 177.36 1wqs s GLY 17 N -3.48 -0.09 -0.00 0.98 0.00 0.01 -4.16 107.32 100.56 1wqs s GLY 17 Ca 0.31 -0.27 0.02 0.00 0.00 0.00 0.00 44.72 44.79 1wqs s GLY 17 CO 0.18 -0.11 -0.07 -0.12 0.00 0.00 0.00 173.10 172.98 1wqs s PHE 18 N -3.91 0.60 -0.61 1.90 2.19 0.13 -2.26 117.98 116.02 1wqs s PHE 18 Ca 0.11 -0.12 -0.19 0.00 0.33 0.00 0.00 56.93 57.07 1wqs s PHE 18 Cb -0.05 -0.39 0.11 0.00 -1.31 0.00 0.00 43.02 41.38 1wqs s PHE 18 CO 0.05 -0.01 0.72 -1.58 1.83 0.00 0.00 175.22 176.23 1wqs s TRP 19 N -0.16 3.03 -0.28 10.12 0.52 -1.05 -0.83 118.94 130.30 1wqs s TRP 19 Ca 0.03 -1.02 0.18 0.00 0.02 0.00 0.00 56.10 55.31 1wqs s TRP 19 Cb -0.03 -4.02 0.18 0.00 -1.15 0.00 0.00 33.47 28.45 1wqs s TRP 19 CO -0.00 -1.29 1.51 -0.24 0.02 0.00 0.00 176.95 176.94 1wqs h VAL 20 N 5.88 0.50 -2.82 4.03 3.04 -1.92 -3.46 116.25 121.50 1wqs h VAL 20 Ca -0.26 -1.71 0.05 0.00 -1.01 0.00 0.00 66.70 63.77 1wqs h VAL 20 Cb 1.08 2.24 -0.09 0.00 -2.01 0.00 0.00 31.29 32.51 1wqs h VAL 20 CO 1.09 0.28 0.29 -0.44 -1.01 0.00 0.00 177.57 177.78 1wqs s SER 21 N -6.35 -0.39 0.20 3.17 0.01 -1.25 0.70 113.70 109.79 1wqs s SER 21 Ca 0.05 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.05 1wqs s SER 21 Cb 0.06 0.60 0.13 0.00 0.21 0.00 0.00 66.02 67.03 1wqs s SER 21 CO 0.71 -1.05 1.49 1.55 0.41 0.00 0.00 173.24 176.36 1wqs h PRO 22 N 2.00 0.38 0.00 12.44 0.13 -1.80 -3.32 132.00 141.83 1wqs h PRO 22 Ca -0.26 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1wqs h PRO 22 Cb 1.27 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1wqs h PRO 22 CO 0.30 0.90 0.00 -2.37 -0.23 0.00 0.00 178.00 176.60 1wqs n THR 23 N -3.88 0.00 -0.99 1.56 5.66 -1.25 -3.61 114.28 111.77 1wqs n THR 23 Ca -0.03 0.47 -0.29 0.00 -3.05 0.00 0.00 64.05 61.15 1wqs n THR 23 Cb 0.65 -1.24 0.19 0.00 -1.55 0.00 0.00 70.33 68.38 1wqs n THR 23 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1wqs s VAL 24 N -0.91 2.19 -0.25 1.08 1.01 -1.25 -0.80 120.40 121.46 1wqs s VAL 24 Ca 0.00 0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.78 1wqs s VAL 24 Cb 0.00 -2.41 0.14 0.00 0.00 0.00 0.00 36.38 34.11 1wqs s VAL 24 CO 0.00 -0.08 1.14 0.12 0.00 0.00 0.00 175.10 176.28 1wqs s PHE 25 N -2.81 -0.32 -0.08 5.22 2.19 -0.01 -3.83 117.98 118.34 1wqs s PHE 25 Ca 0.66 0.71 0.03 0.00 0.33 0.00 0.00 56.93 58.66 1wqs s PHE 25 Cb -0.20 0.42 -0.02 0.00 -1.31 0.00 0.00 43.02 41.91 1wqs s PHE 25 CO 0.59 -0.20 -0.17 0.42 1.83 0.00 0.00 175.22 177.69 1wqs s ILE 26 N -0.27 2.72 0.17 3.12 1.09 -0.01 -1.99 121.20 126.02 1wqs s ILE 26 Ca 0.03 -0.81 -0.24 0.00 -1.10 0.00 0.00 60.65 58.53 1wqs s ILE 26 Cb -0.03 -2.08 0.06 0.00 -1.06 0.00 0.00 42.46 39.35 1wqs s ILE 26 CO -0.06 0.56 0.90 0.28 -0.10 0.00 0.00 174.94 176.51 1wqs s THR 27 N -0.11 0.00 -0.19 2.92 -1.32 -1.16 0.17 115.64 115.94 1wqs s THR 27 Ca -0.03 -0.66 -0.20 0.00 -1.21 0.00 0.00 61.69 59.60 1wqs s THR 27 Cb -0.14 -1.88 -0.03 0.00 -1.51 0.00 0.00 72.50 68.94 1wqs s THR 27 CO 0.04 0.00 0.59 -0.89 -2.21 0.00 0.00 174.62 172.14 1wqs s THR 28 N -3.41 5.06 0.21 5.08 2.01 -1.26 -2.17 115.64 121.15 1wqs s THR 28 Ca 0.11 1.10 -0.18 0.00 0.31 0.00 0.00 61.69 63.03 1wqs s THR 28 Cb -0.02 -3.91 0.20 0.00 0.01 0.00 0.00 72.50 68.78 1wqs s THR 28 CO 0.02 0.15 1.57 0.74 -0.69 0.00 0.00 174.62 176.41 1wqs h THR 29 N 5.13 0.11 0.00 -0.82 2.02 -0.04 1.40 112.91 120.70 1wqs h THR 29 Ca -0.33 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1wqs h THR 29 Cb 1.15 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1wqs h THR 29 CO 0.76 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.65 1wqs n HIS 30 N -5.46 0.00 0.09 3.16 1.44 -1.26 -1.53 115.22 111.65 1wqs n HIS 30 Ca 0.07 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.86 1wqs n HIS 30 Cb 0.38 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.38 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 -0.69 0.00 -1.56 0.61 3.14 0.48 -4.98 118.33 115.33 1wqs n VAL 31 Ca 0.01 -0.33 -0.41 0.00 -2.96 0.00 0.00 64.34 60.66 1wqs n VAL 31 Cb 0.00 0.26 0.02 0.00 -1.06 0.00 0.00 33.84 33.06 1wqs n VAL 31 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1wqs n ILE 32 N -1.95 2.46 -2.75 1.55 5.41 -0.58 -3.94 119.36 119.56 1wqs n ILE 32 Ca -0.02 -0.50 -0.38 0.00 1.00 0.00 0.00 62.75 62.85 1wqs n ILE 32 Cb 0.38 -0.97 -0.06 0.00 -0.71 0.00 0.00 39.64 38.28 1wqs n ILE 32 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1wqs s PRO 33 N -2.03 4.64 -0.14 0.38 0.02 -1.26 -4.96 135.00 131.65 1wqs s PRO 33 Ca 0.66 1.39 -0.01 0.00 0.02 0.00 0.00 61.00 63.06 1wqs s PRO 33 Cb -0.54 -2.93 -0.01 0.00 0.02 0.00 0.00 34.50 31.04 1wqs s PRO 33 CO 0.55 0.33 -0.12 0.95 -0.33 0.00 0.00 177.00 178.38 1wqs s THR 34 N -1.49 3.11 0.00 0.99 -4.23 -1.26 -4.60 115.64 108.17 1wqs s THR 34 Ca 0.48 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 1wqs s THR 34 Cb -0.21 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.31 1wqs s THR 34 CO 0.27 0.51 0.00 0.61 -0.54 0.00 0.00 174.62 175.47 1wqs n GLY 35 N 3.69 0.04 2.98 3.99 0.00 -1.26 -5.24 105.19 109.40 1wqs n GLY 35 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 1wqs n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wqs s VAL 36 N 0.00 0.05 -0.28 1.61 -7.23 -1.26 -5.10 120.40 108.19 1wqs s VAL 36 Ca 0.00 -0.45 0.14 0.00 -1.81 0.00 0.00 61.98 59.86 1wqs s VAL 36 Cb 0.00 -0.21 0.80 0.00 0.56 0.00 0.00 36.38 37.53 1wqs s VAL 36 CO 0.00 -0.25 1.73 -1.14 -0.31 0.00 0.00 175.10 175.13 1wqs n ARG 37 N 2.24 4.76 -3.54 4.82 0.00 -1.26 -4.90 116.66 118.78 1wqs n ARG 37 Ca -0.18 -3.14 -0.00 0.00 -0.00 0.00 0.00 57.85 54.52 1wqs n ARG 37 Cb 0.57 -2.23 -0.05 0.00 0.00 0.00 0.00 32.46 30.74 1wqs n ARG 37 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1wqs s GLU 38 N -2.74 0.28 -0.22 -0.14 4.04 -1.26 -2.73 118.70 115.93 1wqs s GLU 38 Ca 0.54 0.56 -0.09 0.00 0.04 0.00 0.00 54.97 56.02 1wqs s GLU 38 Cb 0.41 0.18 0.09 0.00 0.02 0.00 0.00 34.13 34.83 1wqs s GLU 38 CO 0.16 -0.07 0.49 -0.59 -1.84 0.00 0.00 175.26 173.41 1wqs s PHE 39 N 1.70 -0.90 0.00 4.83 -0.12 -1.22 -4.81 117.98 117.45 1wqs s PHE 39 Ca -0.06 1.71 0.00 0.00 -0.05 0.00 0.00 56.93 58.53 1wqs s PHE 39 Cb -0.04 0.43 0.00 0.00 -0.63 0.00 0.00 43.02 42.78 1wqs s PHE 39 CO -0.15 -0.50 0.00 1.19 -0.05 0.00 0.00 175.22 175.71 1wqs n PHE 40 N 5.13 0.00 -2.74 3.49 3.72 -1.26 -3.24 117.46 122.56 1wqs n PHE 40 Ca -0.13 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.16 1wqs n PHE 40 Cb 0.51 -1.69 -0.01 0.00 -0.94 0.00 0.00 39.48 37.35 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 -0.99 -0.49 3.38 1.37 0.00 -1.26 -4.99 105.19 102.21 1wqs n GLY 41 Ca 0.00 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1wqs n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wqs s GLU 42 N -5.31 1.43 -0.33 1.61 8.01 -1.20 -5.07 118.70 117.83 1wqs s GLU 42 Ca 0.12 -1.32 -0.37 0.00 0.01 0.00 0.00 54.97 53.41 1wqs s GLU 42 Cb -0.06 -1.88 -0.13 0.00 -4.31 0.00 0.00 34.13 27.75 1wqs s GLU 42 CO 0.14 0.45 2.07 -2.30 0.01 0.00 0.00 175.26 175.63 1wqs n PRO 43 N 1.01 1.07 0.19 0.39 -0.01 -1.26 -3.41 135.00 132.97 1wqs n PRO 43 Ca -0.18 0.33 0.07 0.00 -0.01 0.00 0.00 63.50 63.70 1wqs n PRO 43 Cb 0.53 -2.31 0.35 0.00 -0.01 0.00 0.00 33.50 32.06 1wqs n PRO 43 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 175.50 176.46 1wqs h ILE 44 N 6.58 0.00 0.00 4.25 -0.00 -1.86 -2.12 117.51 124.36 1wqs h ILE 44 Ca -0.31 0.00 -0.23 0.00 -0.00 0.00 0.00 64.86 64.32 1wqs h ILE 44 Cb 1.33 0.29 -0.03 0.00 -0.00 0.00 0.00 36.82 38.40 1wqs h ILE 44 CO 1.01 0.00 -1.17 -0.33 -0.00 0.00 0.00 178.15 177.65 1wqs h GLU 45 N 0.00 0.00 -0.13 2.19 4.39 -1.87 -3.39 114.58 115.77 1wqs h GLU 45 Ca 0.00 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1wqs h GLU 45 Cb 0.76 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1wqs h GLU 45 CO 0.00 0.87 0.10 0.66 -1.16 0.00 0.00 179.01 179.49 1wqs h SER 46 N 0.00 0.00 -3.27 1.42 4.64 -1.77 -3.44 113.55 111.13 1wqs h SER 46 Ca -0.08 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.60 1wqs h SER 46 Cb 1.83 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.79 1wqs h SER 46 CO 0.12 0.00 -0.69 0.27 -0.87 0.00 0.00 176.83 175.66 1wqs s ILE 47 N -4.90 3.70 -0.95 0.95 -4.36 -1.26 -4.43 121.20 109.95 1wqs s ILE 47 Ca -0.05 -1.22 -0.02 0.00 -0.26 0.00 0.00 60.65 59.09 1wqs s ILE 47 Cb 0.17 -2.79 0.26 0.00 1.25 0.00 0.00 42.46 41.35 1wqs s ILE 47 CO 0.64 0.04 2.12 0.00 0.24 0.00 0.00 174.94 177.98 1wqs n ALA 48 N 0.39 6.39 -1.27 2.27 0.00 -0.88 -4.95 120.51 122.47 1wqs n ALA 48 Ca -0.11 -4.16 -0.54 0.00 0.00 0.00 0.00 53.44 48.63 1wqs n ALA 48 Cb 0.53 -2.23 -0.09 0.00 0.00 0.00 0.00 19.45 17.65 1wqs n ALA 48 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1wqs n ILE 49 N 0.24 0.00 -1.95 0.00 5.41 -1.26 -4.05 119.36 117.76 1wqs n ILE 49 Ca 0.52 0.00 -0.27 0.00 1.00 0.00 0.00 62.75 64.00 1wqs n ILE 49 Cb 0.29 -0.43 0.03 0.00 -0.71 0.00 0.00 39.64 38.82 1wqs n ILE 49 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1wqs n HIS 50 N 5.05 2.93 -1.03 1.39 8.25 -0.24 -4.94 115.22 126.64 1wqs n HIS 50 Ca 0.38 -2.49 -0.38 0.00 -0.26 0.00 0.00 57.72 54.97 1wqs n HIS 50 Cb -0.04 -0.54 -0.04 0.00 1.12 0.00 0.00 29.99 30.49 1wqs n HIS 50 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1wqs n ARG 51 N -0.71 0.00 -3.13 -0.41 0.63 -1.26 -4.45 116.66 107.32 1wqs n ARG 51 Ca 0.47 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 57.19 1wqs n ARG 51 Cb 0.85 -0.88 -0.05 0.00 0.45 0.00 0.00 32.46 32.82 1wqs n ARG 51 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wqs n ALA 52 N 0.53 1.81 0.00 5.13 0.00 -0.96 -4.98 120.51 122.04 1wqs n ALA 52 Ca 0.13 -3.04 0.00 0.00 0.00 0.00 0.00 53.44 50.54 1wqs n ALA 52 Cb 0.12 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1wqs n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wqs n GLY 53 N 1.58 1.39 0.55 0.00 0.00 -1.26 -3.04 105.19 104.40 1wqs n GLY 53 Ca 0.20 -0.54 0.06 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 1.37 -4.00 1.61 4.07 -1.26 -4.76 120.64 117.66 1wqs n GLU 54 Ca 0.00 -1.50 -0.23 0.00 -0.06 0.00 0.00 57.16 55.38 1wqs n GLU 54 Cb 0.00 -1.25 -0.03 0.00 -0.06 0.00 0.00 31.44 30.10 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 -1.00 3.37 -0.30 4.31 5.36 -1.17 0.61 117.98 129.16 1wqs s PHE 55 Ca 0.18 -0.01 -0.04 0.00 -0.96 0.00 0.00 56.93 56.10 1wqs s PHE 55 Cb 0.11 -1.55 0.18 0.00 -0.34 0.00 0.00 43.02 41.42 1wqs s PHE 55 CO 0.16 0.48 0.69 0.99 -1.46 0.00 0.00 175.22 176.08 1wqs s THR 56 N -1.94 -0.87 0.45 0.12 2.01 -0.92 -2.25 115.64 112.24 1wqs s THR 56 Ca 0.34 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.35 1wqs s THR 56 Cb -0.09 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.42 1wqs s THR 56 CO 0.28 0.00 0.66 -1.58 -0.69 0.00 0.00 174.62 173.29 1wqs s GLN 57 N 2.87 3.01 -0.04 4.92 0.74 -1.26 -2.99 119.66 126.91 1wqs s GLN 57 Ca 0.15 -0.58 -0.02 0.00 0.05 0.00 0.00 55.36 54.97 1wqs s GLN 57 Cb -0.14 -2.58 0.03 0.00 1.10 0.00 0.00 33.01 31.42 1wqs s GLN 57 CO -0.19 -0.29 0.05 -0.06 -0.55 0.00 0.00 175.29 174.26 1wqs s PHE 58 N -2.54 0.10 -0.42 1.67 2.99 -0.84 -1.08 117.98 117.86 1wqs s PHE 58 Ca 0.49 0.22 -0.04 0.00 0.00 0.00 0.00 56.93 57.60 1wqs s PHE 58 Cb -0.10 -0.49 0.11 0.00 0.00 0.00 0.00 43.02 42.54 1wqs s PHE 58 CO 0.37 -0.19 0.23 0.50 -0.00 0.00 0.00 175.22 176.13 1wqs s ARG 59 N 2.09 2.09 0.22 0.44 3.00 -1.26 -0.83 118.95 124.70 1wqs s ARG 59 Ca 0.04 -1.81 -0.17 0.00 -1.00 0.00 0.00 55.73 52.79 1wqs s ARG 59 Cb -0.12 -3.64 -0.08 0.00 0.00 0.00 0.00 34.95 31.10 1wqs s ARG 59 CO -0.03 -1.09 0.67 -0.06 0.00 0.00 0.00 175.30 174.79 1wqs s PHE 60 N 1.18 3.57 -0.38 5.12 0.40 0.02 -2.07 117.98 125.82 1wqs s PHE 60 Ca 0.08 1.24 -0.06 0.00 -0.60 0.00 0.00 56.93 57.59 1wqs s PHE 60 Cb -0.23 -2.52 0.07 0.00 0.51 0.00 0.00 43.02 40.85 1wqs s PHE 60 CO -0.04 0.31 0.16 -1.54 0.70 0.00 0.00 175.22 174.82 1wqs s SER 61 N -1.83 5.33 0.00 1.36 1.04 -1.26 -4.61 113.70 113.73 1wqs s SER 61 Ca 0.44 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 55.35 1wqs s SER 61 Cb -0.15 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 64.10 1wqs s SER 61 CO 0.20 -0.44 0.00 0.54 0.98 0.00 0.00 173.24 174.52 1wqs n ARG 62 N 4.76 0.00 -2.10 4.02 1.74 -1.26 -5.01 116.66 118.80 1wqs n ARG 62 Ca -0.09 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.65 1wqs n ARG 62 Cb 0.43 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.83 1wqs n ARG 62 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1wqs s LYS 63 N -2.35 2.68 -0.15 5.56 1.02 -1.26 -3.94 119.74 121.30 1wqs s LYS 63 Ca 0.00 0.06 0.07 0.00 0.02 0.00 0.00 55.97 56.12 1wqs s LYS 63 Cb 0.00 -4.74 -0.14 0.00 -0.52 0.00 0.00 37.83 32.43 1wqs s LYS 63 CO 0.00 -2.96 -0.04 1.33 -0.92 0.00 0.00 175.35 172.75 1wqs n VAL 64 N 7.45 0.96 -3.22 3.17 0.24 -1.24 -4.65 118.33 121.04 1wqs n VAL 64 Ca 0.29 -0.49 -0.19 0.00 -2.04 0.00 0.00 64.34 61.91 1wqs n VAL 64 Cb 0.50 -0.85 -0.07 0.00 -1.47 0.00 0.00 33.84 31.95 1wqs n VAL 64 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1wqs s ARG 65 N -2.34 0.88 0.00 7.34 3.00 -1.26 -5.00 118.95 121.58 1wqs s ARG 65 Ca -0.14 -1.56 0.29 0.00 0.00 0.00 0.00 55.73 54.32 1wqs s ARG 65 Cb 0.05 -0.91 1.20 0.00 0.00 0.00 0.00 34.95 35.30 1wqs s ARG 65 CO 0.49 -1.33 1.87 -2.30 0.00 0.00 0.00 175.30 174.03 1wqs n PRO 66 N 3.19 0.31 0.00 3.54 -0.01 -1.26 -3.20 135.00 137.57 1wqs n PRO 66 Ca 0.22 -0.07 0.13 0.00 -0.01 0.00 0.00 63.50 63.78 1wqs n PRO 66 Cb 0.49 -1.50 0.46 0.00 -0.01 0.00 0.00 33.50 32.94 1wqs n PRO 66 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 175.50 175.09 1wqs n ASP 67 N -1.28 0.58 -4.68 2.55 5.75 -1.26 -4.97 116.55 113.24 1wqs n ASP 67 Ca 0.11 -0.46 -0.29 0.00 -0.01 0.00 0.00 54.79 54.13 1wqs n ASP 67 Cb 0.30 0.02 -0.08 0.00 -1.03 0.00 0.00 41.12 40.32 1wqs n ASP 67 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1wqs s LEU 68 N -2.67 3.42 0.00 -2.12 1.43 -1.19 -5.12 118.68 112.42 1wqs s LEU 68 Ca 0.21 -0.22 -0.08 0.00 -1.03 0.00 0.00 54.13 53.01 1wqs s LEU 68 Cb 0.19 -2.14 0.14 0.00 0.03 0.00 0.00 46.19 44.41 1wqs s LEU 68 CO 0.55 0.16 0.87 0.41 0.23 0.00 0.00 176.35 178.57 1wqs n THR 69 N 0.44 0.00 -5.06 5.49 -1.04 -1.26 -4.57 114.28 108.29 1wqs n THR 69 Ca -0.11 -0.86 -0.32 0.00 -2.04 0.00 0.00 64.05 60.72 1wqs n THR 69 Cb 0.52 -1.43 -0.14 0.00 -1.82 0.00 0.00 70.33 67.46 1wqs n THR 69 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1wqs s GLY 70 N -4.83 1.42 -0.07 3.41 0.00 -1.26 -4.41 107.32 101.59 1wqs s GLY 70 Ca 0.52 -1.03 -0.04 0.00 0.00 0.00 0.00 44.72 44.17 1wqs s GLY 70 CO 0.36 -0.78 0.13 -0.29 0.00 0.00 0.00 173.10 172.51 1wqs s MET 71 N -0.59 3.32 0.71 2.90 0.00 3.33 -4.93 119.30 124.05 1wqs s MET 71 Ca 0.09 -0.27 -0.16 0.00 0.00 0.00 0.00 55.69 55.34 1wqs s MET 71 Cb -0.11 -3.06 0.01 0.00 0.00 0.00 0.00 34.83 31.67 1wqs s MET 71 CO 0.01 0.72 1.09 0.28 0.00 0.00 0.00 175.02 177.11 1wqs n VAL 72 N 1.58 3.28 -3.21 10.11 0.31 -1.21 -4.85 118.33 124.34 1wqs n VAL 72 Ca -0.16 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 1wqs n VAL 72 Cb 0.54 -1.22 -0.03 0.00 -0.91 0.00 0.00 33.84 32.22 1wqs n VAL 72 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1wqs s LEU 73 N -3.77 -1.21 0.60 7.52 2.96 -1.26 -2.29 118.68 121.22 1wqs s LEU 73 Ca 0.76 0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 55.21 1wqs s LEU 73 Cb -0.35 1.84 0.04 0.00 0.50 0.00 0.00 46.19 48.22 1wqs s LEU 73 CO 0.48 -0.28 0.86 -0.70 -1.32 0.00 0.00 176.35 175.38 1wqs s GLU 74 N 2.76 2.53 0.02 1.98 2.56 -0.96 -4.96 118.70 122.63 1wqs s GLU 74 Ca 0.17 -0.48 -0.08 0.00 0.00 0.00 0.00 54.97 54.57 1wqs s GLU 74 Cb -0.14 -2.36 -0.04 0.00 2.00 0.00 0.00 34.13 33.58 1wqs s GLU 74 CO -0.21 -0.84 1.13 0.93 -0.56 0.00 0.00 175.26 175.71 1wqs h GLU 75 N -0.15 -0.23 0.00 4.30 5.08 -1.91 -3.43 114.58 118.25 1wqs h GLU 75 Ca -0.44 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1wqs h GLU 75 Cb 1.29 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1wqs h GLU 75 CO 0.56 -0.15 0.00 0.41 -1.00 0.00 0.00 179.01 178.83 1wqs n GLY 76 N -1.13 5.30 3.15 -3.84 0.00 -1.26 -3.42 105.19 103.98 1wqs n GLY 76 Ca -0.03 -1.52 -0.18 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.54 2.11 -0.00 0.00 0.04 -1.26 -4.89 135.00 129.46 1wqs s PRO 78 Ca -0.02 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 62.03 1wqs s PRO 78 Cb -0.09 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 1wqs s PRO 78 CO 0.02 -1.77 1.06 -2.00 0.04 0.00 0.00 177.00 174.34 1wqs s GLU 79 N -4.67 4.49 0.00 4.56 2.12 -1.26 -3.17 118.70 120.77 1wqs s GLU 79 Ca 0.64 1.53 0.00 0.00 0.36 0.00 0.00 54.97 57.49 1wqs s GLU 79 Cb -0.19 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 30.75 1wqs s GLU 79 CO 0.53 -0.17 0.00 0.41 -0.54 0.00 0.00 175.26 175.50 1wqs n GLY 80 N 3.04 3.39 3.69 -1.50 0.00 -0.56 -5.04 105.19 108.22 1wqs n GLY 80 Ca 0.07 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 1wqs n GLY 80 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wqs n VAL 81 N 0.00 4.56 -3.88 1.61 3.14 -1.19 -4.50 118.33 118.07 1wqs n VAL 81 Ca 0.00 -0.50 -0.35 0.00 -2.96 0.00 0.00 64.34 60.54 1wqs n VAL 81 Cb 0.00 -1.38 -0.13 0.00 -1.06 0.00 0.00 33.84 31.27 1wqs n VAL 81 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1wqs s VAL 82 N -1.44 2.97 0.65 1.55 1.01 -1.26 -0.32 120.40 123.55 1wqs s VAL 82 Ca 0.81 -1.73 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1wqs s VAL 82 Cb -0.39 -2.88 0.10 0.00 0.00 0.00 0.00 36.38 33.21 1wqs s VAL 82 CO 0.42 -0.36 0.89 0.00 0.00 0.00 0.00 175.10 176.06 1wqs s SER 84 N -4.64 2.39 -0.13 0.00 0.01 -0.26 -1.64 113.70 109.44 1wqs s SER 84 Ca 0.63 -0.72 0.02 0.00 1.31 0.00 0.00 55.95 57.19 1wqs s SER 84 Cb -0.07 -0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.05 1wqs s SER 84 CO 0.42 0.00 -0.19 -0.51 0.41 0.00 0.00 173.24 173.37 1wqs s ILE 85 N -1.43 1.84 -0.93 1.44 2.07 -0.77 -2.24 121.20 121.18 1wqs s ILE 85 Ca 0.07 -0.85 -0.20 0.00 -1.41 0.00 0.00 60.65 58.27 1wqs s ILE 85 Cb -0.09 -1.64 0.11 0.00 0.13 0.00 0.00 42.46 40.97 1wqs s ILE 85 CO 0.04 0.51 1.19 -0.76 -1.91 0.00 0.00 174.94 174.01 1wqs s LEU 86 N 0.88 4.64 -0.17 8.50 2.01 -1.15 -1.96 118.68 131.42 1wqs s LEU 86 Ca -0.07 -1.83 -0.07 0.00 0.01 0.00 0.00 54.13 52.17 1wqs s LEU 86 Cb -0.15 -2.44 -0.04 0.00 0.01 0.00 0.00 46.19 43.56 1wqs s LEU 86 CO -0.02 -1.20 0.08 -0.63 1.01 0.00 0.00 176.35 175.60 1wqs s ILE 87 N 3.32 4.95 0.16 -0.59 -1.09 -1.10 -4.39 121.20 122.47 1wqs s ILE 87 Ca 0.35 0.02 0.08 0.00 -2.23 0.00 0.00 60.65 58.87 1wqs s ILE 87 Cb -0.04 -3.22 -0.04 0.00 -1.58 0.00 0.00 42.46 37.58 1wqs s ILE 87 CO -0.08 0.49 -0.04 -0.54 -1.23 0.00 0.00 174.94 173.54 1wqs s LYS 88 N 0.12 2.28 0.07 2.79 1.02 -1.26 -1.97 119.74 122.79 1wqs s LYS 88 Ca 0.06 -1.13 0.00 0.00 0.02 0.00 0.00 55.97 54.92 1wqs s LYS 88 Cb -0.12 -2.30 -0.00 0.00 -0.52 0.00 0.00 37.83 34.89 1wqs s LYS 88 CO 0.00 0.46 0.02 -2.13 -0.92 0.00 0.00 175.35 172.78 1wqs n ARG 89 N 0.04 1.17 -0.06 1.68 3.00 -1.05 -4.96 116.66 116.49 1wqs n ARG 89 Ca -0.10 -0.58 -0.13 0.00 -0.00 0.00 0.00 57.85 57.04 1wqs n ARG 89 Cb 0.55 0.26 -0.12 0.00 0.00 0.00 0.00 32.46 33.15 1wqs n ARG 89 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1wqs h ASP 90 N 0.24 -0.01 0.00 6.15 3.45 -2.00 -1.65 116.42 122.61 1wqs h ASP 90 Ca -0.06 -0.86 0.00 0.00 0.43 0.00 0.00 57.03 56.54 1wqs h ASP 90 Cb 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.97 1wqs h ASP 90 CO 0.09 0.90 0.00 -1.20 -1.57 0.00 0.00 179.24 177.46 1wqs n SER 91 N -4.66 0.16 -3.31 6.45 7.64 -1.26 -4.57 113.62 114.07 1wqs n SER 91 Ca -0.09 -0.62 -0.16 0.00 1.01 0.00 0.00 58.87 59.01 1wqs n SER 91 Cb 0.42 -0.08 0.08 0.00 -1.01 0.00 0.00 64.21 63.62 1wqs n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wqs n GLY 92 N 0.08 -0.35 3.81 0.23 0.00 -0.62 -4.96 105.19 103.38 1wqs n GLY 92 Ca 0.00 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1wqs n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wqs s GLU 93 N -5.26 4.31 -0.19 1.61 2.02 -1.26 -4.88 118.70 115.05 1wqs s GLU 93 Ca 0.02 1.05 0.01 0.00 0.02 0.00 0.00 54.97 56.07 1wqs s GLU 93 Cb -0.00 -2.60 0.03 0.00 0.10 0.00 0.00 34.13 31.66 1wqs s GLU 93 CO 0.70 0.21 -0.14 -0.51 0.02 0.00 0.00 175.26 175.53 1wqs s LEU 94 N -2.48 2.31 -0.61 1.80 1.02 -1.26 -2.54 118.68 116.92 1wqs s LEU 94 Ca 0.52 -0.82 0.04 0.00 0.02 0.00 0.00 54.13 53.88 1wqs s LEU 94 Cb -0.14 -1.35 0.15 0.00 0.02 0.00 0.00 46.19 44.87 1wqs s LEU 94 CO 0.19 -0.09 0.37 -0.22 0.02 0.00 0.00 176.35 176.62 1wqs s LEU 95 N 1.33 4.60 0.15 1.79 2.96 -0.83 -5.00 118.68 123.68 1wqs s LEU 95 Ca 0.01 -3.32 -0.28 0.00 -0.22 0.00 0.00 54.13 50.32 1wqs s LEU 95 Cb -0.15 -1.67 -0.07 0.00 0.50 0.00 0.00 46.19 44.80 1wqs s LEU 95 CO -0.10 -0.19 0.86 -2.16 -1.32 0.00 0.00 176.35 173.45 1wqs s PRO 96 N -0.72 4.66 -0.09 0.98 0.04 -1.26 -2.70 135.00 135.90 1wqs s PRO 96 Ca 0.20 1.30 -0.01 0.00 0.04 0.00 0.00 61.00 62.53 1wqs s PRO 96 Cb -0.18 -3.32 0.03 0.00 0.04 0.00 0.00 34.50 31.07 1wqs s PRO 96 CO -0.06 0.41 -0.04 -0.51 0.04 0.00 0.00 177.00 176.84 1wqs s LEU 97 N -0.65 0.93 0.25 -3.56 1.43 -0.83 -4.93 118.68 111.32 1wqs s LEU 97 Ca 0.40 -0.21 -0.31 0.00 -1.03 0.00 0.00 54.13 52.98 1wqs s LEU 97 Cb -0.23 -0.67 -0.13 0.00 0.03 0.00 0.00 46.19 45.19 1wqs s LEU 97 CO 0.28 -0.15 1.48 0.00 0.23 0.00 0.00 176.35 178.19 1wqs n ALA 98 N 5.01 1.57 -3.86 4.21 0.00 -1.26 -1.85 120.51 124.34 1wqs n ALA 98 Ca -0.10 0.40 -0.27 0.00 0.00 0.00 0.00 53.44 53.47 1wqs n ALA 98 Cb 0.50 -2.34 -0.17 0.00 0.00 0.00 0.00 19.45 17.44 1wqs n ALA 98 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wqs s VAL 99 N 0.05 1.12 -0.46 0.00 1.01 -0.65 -1.69 120.40 119.78 1wqs s VAL 99 Ca 0.68 -0.36 -0.19 0.00 0.00 0.00 0.00 61.98 62.10 1wqs s VAL 99 Cb -0.60 -1.11 0.04 0.00 0.00 0.00 0.00 36.38 34.71 1wqs s VAL 99 CO 0.48 0.38 0.57 -0.60 0.00 0.00 0.00 175.10 175.93 1wqs s ARG 100 N 1.53 3.15 0.18 2.72 3.52 0.23 -1.97 118.95 128.32 1wqs s ARG 100 Ca 0.02 -0.72 -0.31 0.00 -0.13 0.00 0.00 55.73 54.60 1wqs s ARG 100 Cb -0.13 -4.02 -0.10 0.00 -1.56 0.00 0.00 34.95 29.15 1wqs s ARG 100 CO -0.07 -1.05 1.47 -1.64 -0.81 0.00 0.00 175.30 173.21 1wqs s MET 101 N 2.51 4.26 0.00 5.12 -1.94 0.56 -2.62 119.30 127.20 1wqs s MET 101 Ca 0.16 2.26 0.00 0.00 -1.71 0.00 0.00 55.69 56.40 1wqs s MET 101 Cb -0.17 -3.16 0.00 0.00 2.01 0.00 0.00 34.83 33.51 1wqs s MET 101 CO 0.14 -0.49 0.00 0.41 -0.01 0.00 0.00 175.02 175.07 1wqs n GLY 102 N 3.13 1.36 3.97 -0.03 0.00 0.91 -1.50 105.19 113.03 1wqs n GLY 102 Ca 0.11 -1.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.06 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 -3.09 3.20 -0.04 4.61 0.00 -1.26 -4.50 121.76 120.68 1wqs s ALA 103 Ca 0.00 -1.52 -0.02 0.00 0.00 0.00 0.00 51.96 50.42 1wqs s ALA 103 Cb 0.00 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 1wqs s ALA 103 CO 0.00 -1.77 0.09 0.42 0.00 0.00 0.00 175.76 174.50 1wqs s ILE 104 N -3.39 4.90 0.00 0.00 -1.09 -1.26 -0.79 121.20 119.57 1wqs s ILE 104 Ca 0.68 -0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.88 1wqs s ILE 104 Cb -0.05 -3.19 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 1wqs s ILE 104 CO 0.47 0.45 0.00 0.00 -1.23 0.00 0.00 174.94 174.63 1wqs n ALA 105 N 1.49 0.00 -2.55 9.38 0.00 -1.06 -4.97 120.51 122.79 1wqs n ALA 105 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.99 1wqs n ALA 105 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 1wqs n ALA 105 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wqs s SER 106 N 0.00 4.26 0.19 0.00 0.01 -1.26 -2.76 113.70 114.14 1wqs s SER 106 Ca 0.00 -0.44 -0.18 0.00 1.31 0.00 0.00 55.95 56.64 1wqs s SER 106 Cb 0.00 -0.76 0.03 0.00 0.21 0.00 0.00 66.02 65.51 1wqs s SER 106 CO 0.00 0.17 0.53 0.00 0.41 0.00 0.00 173.24 174.36 1wqs s MET 107 N -2.22 1.36 -0.82 12.44 0.23 0.59 -4.88 119.30 126.00 1wqs s MET 107 Ca 0.21 -0.81 -0.15 0.00 -1.03 0.00 0.00 55.69 53.90 1wqs s MET 107 Cb -0.11 0.53 0.20 0.00 -1.53 0.00 0.00 34.83 33.92 1wqs s MET 107 CO 0.13 -0.58 0.81 0.15 -2.03 0.00 0.00 175.02 173.50 1wqs s LYS 108 N -3.86 3.56 -0.08 3.16 3.01 -1.26 -1.04 119.74 123.23 1wqs s LYS 108 Ca 0.08 -2.27 -0.08 0.00 -1.01 0.00 0.00 55.97 52.69 1wqs s LYS 108 Cb -0.01 -4.50 -0.03 0.00 -1.01 0.00 0.00 37.83 32.28 1wqs s LYS 108 CO -0.04 -1.38 -0.16 -0.89 0.51 0.00 0.00 175.35 173.39 1wqs n ILE 109 N 4.34 0.72 -3.07 2.17 -0.00 -1.14 -4.71 119.36 117.68 1wqs n ILE 109 Ca 0.13 0.33 -0.22 0.00 -0.00 0.00 0.00 62.75 62.99 1wqs n ILE 109 Cb 0.47 -1.91 -0.03 0.00 -0.00 0.00 0.00 39.64 38.16 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 -3.44 2.04 0.00 0.38 10.64 -1.26 -4.68 117.38 121.05 1wqs n GLN 110 Ca -0.06 -4.08 0.00 0.00 -1.83 0.00 0.00 57.00 51.03 1wqs n GLN 110 Cb 0.24 -1.96 0.00 0.00 -0.86 0.00 0.00 30.24 27.66 1wqs n GLN 110 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1wqs n GLY 111 N 0.03 1.54 3.13 2.61 0.00 -1.26 -4.98 105.19 106.26 1wqs n GLY 111 Ca 0.28 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 1wqs n GLY 111 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1wqs n ARG 112 N 0.00 -0.89 -3.70 1.61 1.85 -1.26 -4.82 116.66 109.45 1wqs n ARG 112 Ca 0.00 -0.25 -0.38 0.00 -1.00 0.00 0.00 57.85 56.21 1wqs n ARG 112 Cb 0.00 -1.35 -0.12 0.00 -1.05 0.00 0.00 32.46 29.93 1wqs n ARG 112 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1wqs s LEU 113 N 3.20 4.33 -0.24 2.89 0.20 -1.25 -2.86 118.68 124.94 1wqs s LEU 113 Ca 0.45 -0.99 -0.05 0.00 0.69 0.00 0.00 54.13 54.23 1wqs s LEU 113 Cb -0.01 -1.92 -0.01 0.00 -0.43 0.00 0.00 46.19 43.83 1wqs s LEU 113 CO 0.63 -0.31 0.00 -0.69 -0.29 0.00 0.00 176.35 175.69 1wqs s VAL 114 N 1.47 3.62 -0.20 1.68 1.01 -0.21 -4.85 120.40 122.93 1wqs s VAL 114 Ca 0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 1wqs s VAL 114 Cb -0.19 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1wqs s VAL 114 CO 0.04 0.32 0.24 -2.28 0.00 0.00 0.00 175.10 173.42 1wqs s HIS 115 N 1.50 3.39 -0.86 5.22 2.46 -1.26 -0.30 115.29 125.44 1wqs s HIS 115 Ca 0.05 0.43 0.00 0.00 0.47 0.00 0.00 55.06 56.01 1wqs s HIS 115 Cb -0.15 -2.31 0.00 0.00 -0.13 0.00 0.00 32.58 29.98 1wqs s HIS 115 CO -0.01 0.15 0.00 0.41 -2.47 0.00 0.00 174.74 172.82 1wqs n GLY 116 N 3.78 -1.28 3.49 1.59 0.00 -1.11 -4.64 105.19 107.01 1wqs n GLY 116 Ca -0.13 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.56 3.19 0.89 1.61 2.00 0.66 -2.56 119.66 124.89 1wqs s GLN 117 Ca 0.00 -0.84 -0.11 0.00 -2.00 0.00 0.00 55.36 52.41 1wqs s GLN 117 Cb 0.00 -3.91 0.13 0.00 0.80 0.00 0.00 33.01 30.03 1wqs s GLN 117 CO 0.00 -0.64 1.16 -1.54 -0.50 0.00 0.00 175.29 173.78 1wqs s SER 118 N 1.71 3.07 -0.29 6.67 1.04 0.03 -1.76 113.70 124.16 1wqs s SER 118 Ca 0.06 2.25 -0.31 0.00 0.48 0.00 0.00 55.95 58.42 1wqs s SER 118 Cb -0.18 -2.57 0.19 0.00 0.10 0.00 0.00 66.02 63.55 1wqs s SER 118 CO 0.10 -3.01 1.39 -0.83 0.98 0.00 0.00 173.24 171.87 1wqs s GLY 119 N -2.52 0.04 -0.08 7.32 0.00 0.94 0.31 107.32 113.33 1wqs s GLY 119 Ca 0.69 2.66 0.03 0.00 0.00 0.00 0.00 44.72 48.10 1wqs s GLY 119 CO 0.56 1.00 -0.18 -0.29 0.00 0.00 0.00 173.10 174.19 1wqs s MET 120 N -1.26 2.82 0.40 2.90 1.75 -1.08 0.25 119.30 125.09 1wqs s MET 120 Ca 0.10 -0.78 -0.25 0.00 -1.25 0.00 0.00 55.69 53.52 1wqs s MET 120 Cb -0.01 -2.37 -0.08 0.00 2.84 0.00 0.00 34.83 35.20 1wqs s MET 120 CO -0.07 0.39 1.15 -0.51 -0.65 0.00 0.00 175.02 175.32 1wqs s LEU 121 N -0.14 4.18 0.00 4.11 1.02 0.30 0.77 118.68 128.92 1wqs s LEU 121 Ca -0.02 2.29 0.27 0.00 0.02 0.00 0.00 54.13 56.68 1wqs s LEU 121 Cb -0.14 -4.06 0.86 0.00 0.02 0.00 0.00 46.19 42.87 1wqs s LEU 121 CO 0.04 -0.65 1.63 0.18 0.02 0.00 0.00 176.35 177.57 1wqs n LEU 122 N 0.04 1.09 -4.20 1.79 4.32 -0.68 -4.33 117.00 115.02 1wqs n LEU 122 Ca 0.04 -0.30 -0.43 0.00 -0.02 0.00 0.00 56.01 55.31 1wqs n LEU 122 Cb 0.47 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.17 1wqs n LEU 122 CO 0.49 0.20 1.85 0.35 -1.22 0.00 0.00 177.39 179.06 1wqs n THR 123 N -0.49 4.12 0.00 -5.08 -2.24 -1.26 -4.91 114.28 104.43 1wqs n THR 123 Ca 0.14 -4.29 0.00 0.00 -2.27 0.00 0.00 64.05 57.63 1wqs n THR 123 Cb 0.34 -2.43 0.00 0.00 -2.10 0.00 0.00 70.33 66.14 1wqs n THR 123 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wqs n GLY 124 N 3.92 0.33 0.00 3.38 0.00 -1.26 -4.64 105.19 106.92 1wqs n GLY 124 Ca 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1wqs n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqs n ALA 125 N 1.21 0.00 -1.04 4.61 0.00 -1.26 -4.65 120.51 119.38 1wqs n ALA 125 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1wqs n ALA 125 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1wqs n ALA 125 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wqs n ASN 126 N 0.00 0.34 -4.40 0.00 5.03 -1.26 -4.61 115.26 110.36 1wqs n ASN 126 Ca 0.00 0.76 -0.33 0.00 0.87 0.00 0.00 54.58 55.88 1wqs n ASN 126 Cb 0.00 -0.58 -0.14 0.00 -1.02 0.00 0.00 39.78 38.04 1wqs n ASN 126 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1wqs s ALA 127 N 0.86 2.61 -0.36 5.41 0.00 -1.21 -4.74 121.76 124.33 1wqs s ALA 127 Ca 0.63 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1wqs s ALA 127 Cb -0.89 -1.09 0.14 0.00 0.00 0.00 0.00 23.12 21.29 1wqs s ALA 127 CO 0.44 0.37 0.21 -1.59 0.00 0.00 0.00 175.76 175.20 1wqs s LYS 128 N -0.08 0.58 3.96 0.00 0.00 -1.26 -4.98 119.74 117.96 1wqs s LYS 128 Ca -0.02 -1.37 0.00 0.00 0.00 0.00 0.00 55.97 54.58 1wqs s LYS 128 Cb -0.14 -1.33 0.00 0.00 0.00 0.00 0.00 37.83 36.36 1wqs s LYS 128 CO 0.04 -1.21 0.00 0.41 0.00 0.00 0.00 175.35 174.58 1wqs n GLY 129 N 4.00 0.43 2.96 0.59 0.00 -1.26 -4.93 105.19 106.98 1wqs n GLY 129 Ca 0.12 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 1wqs n GLY 129 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wqs s MET 130 N 0.00 2.13 0.45 1.61 0.23 -1.26 -5.01 119.30 117.46 1wqs s MET 130 Ca 0.00 -2.74 0.00 0.00 -1.03 0.00 0.00 55.69 51.92 1wqs s MET 130 Cb 0.00 -3.39 0.00 0.00 -1.53 0.00 0.00 34.83 29.91 1wqs s MET 130 CO 0.00 -1.14 0.00 -0.40 -2.03 0.00 0.00 175.02 171.45 1wqs n ASP 131 N 2.96 -3.63 -0.00 -1.18 5.75 -1.26 -5.04 116.55 114.15 1wqs n ASP 131 Ca 0.08 0.86 0.11 0.00 -0.01 0.00 0.00 54.79 55.82 1wqs n ASP 131 Cb 0.33 3.40 -0.15 0.00 -1.03 0.00 0.00 41.12 43.67 1wqs n ASP 131 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1wqs n LEU 132 N -3.47 0.23 0.00 -2.12 4.32 -1.26 -5.03 117.00 109.67 1wqs n LEU 132 Ca 0.00 -0.07 -0.12 0.00 -0.02 0.00 0.00 56.01 55.80 1wqs n LEU 132 Cb 0.00 -0.01 -0.04 0.00 -1.62 0.00 0.00 43.42 41.75 1wqs n LEU 132 CO 0.00 0.04 -0.07 0.61 -1.22 0.00 0.00 177.39 176.75 1wqs n GLY 133 N 1.30 3.50 3.83 -0.72 0.00 -1.26 -4.65 105.19 107.19 1wqs n GLY 133 Ca -0.02 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 1wqs n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wqs s THR 134 N -2.60 4.53 0.24 2.61 2.01 -1.26 -5.03 115.64 116.14 1wqs s THR 134 Ca 0.18 1.24 0.11 0.00 0.31 0.00 0.00 61.69 63.52 1wqs s THR 134 Cb 0.01 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 1wqs s THR 134 CO 0.13 -0.14 -0.19 -0.76 -0.69 0.00 0.00 174.62 172.97 1wqs s LEU 135 N -2.81 2.54 0.26 4.42 1.43 -1.26 -4.93 118.68 118.33 1wqs s LEU 135 Ca 0.54 -0.99 0.14 0.00 -1.03 0.00 0.00 54.13 52.80 1wqs s LEU 135 Cb -0.12 -0.98 0.93 0.00 0.03 0.00 0.00 46.19 46.05 1wqs s LEU 135 CO 0.17 -0.01 1.13 -2.65 0.23 0.00 0.00 176.35 175.22 1wqs n PRO 136 N -0.35 -0.04 -0.26 1.29 -0.02 -1.26 0.13 135.00 134.49 1wqs n PRO 136 Ca -0.08 0.99 0.02 0.00 -2.02 0.00 0.00 63.50 62.42 1wqs n PRO 136 Cb 0.59 -1.76 0.12 0.00 -0.02 0.00 0.00 33.50 32.43 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 -1.20 1.75 1.80 -1.23 0.00 -1.26 -4.21 105.19 100.84 1wqs n GLY 137 Ca 0.26 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 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 0.19 3.66 -4.85 1.61 8.00 0.35 -4.68 116.55 120.83 1wqs n ASP 138 Ca 0.08 -3.71 -0.32 0.00 0.71 0.00 0.00 54.79 51.56 1wqs n ASP 138 Cb 0.50 -0.75 -0.05 0.00 -0.02 0.00 0.00 41.12 40.81 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 -0.99 3.00 3.77 0.00 0.00 0.64 -0.39 105.19 111.22 1wqs n GLY 140 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.65 3.34 0.82 4.61 0.00 -0.99 -4.09 121.76 122.81 1wqs s ALA 141 Ca 0.00 1.31 -0.12 0.00 0.00 0.00 0.00 51.96 53.16 1wqs s ALA 141 Cb 0.00 -3.52 0.09 0.00 0.00 0.00 0.00 23.12 19.69 1wqs s ALA 141 CO 0.00 -0.87 1.12 -1.25 0.00 0.00 0.00 175.76 174.76 1wqs s PRO 142 N -2.16 1.86 -0.44 0.00 0.04 -1.26 0.11 135.00 133.14 1wqs s PRO 142 Ca 0.55 0.41 0.02 0.00 0.04 0.00 0.00 61.00 62.03 1wqs s PRO 142 Cb -0.40 -1.91 0.13 0.00 0.04 0.00 0.00 34.50 32.36 1wqs s PRO 142 CO 0.53 -1.73 0.23 0.71 0.04 0.00 0.00 177.00 176.78 1wqs s TYR 143 N -3.29 2.14 0.55 0.56 4.12 -0.81 -2.95 117.35 117.67 1wqs s TYR 143 Ca 0.62 -2.50 0.04 0.00 0.02 0.00 0.00 57.07 55.25 1wqs s TYR 143 Cb -0.13 -2.01 0.05 0.00 -1.52 0.00 0.00 41.96 38.35 1wqs s TYR 143 CO 0.53 -0.78 0.76 0.14 0.02 0.00 0.00 175.55 176.21 1wqs s VAL 144 N 0.34 2.57 0.04 0.71 -7.23 -0.95 -1.07 120.40 114.81 1wqs s VAL 144 Ca 0.17 -0.80 -0.28 0.00 -1.81 0.00 0.00 61.98 59.26 1wqs s VAL 144 Cb -0.24 -2.77 0.10 0.00 0.56 0.00 0.00 36.38 34.03 1wqs s VAL 144 CO -0.01 0.00 1.20 -0.72 -0.31 0.00 0.00 175.10 175.27 1wqs s TYR 145 N -2.70 -0.01 -0.12 2.82 -0.85 -1.02 -1.10 117.35 114.37 1wqs s TYR 145 Ca 0.59 -0.17 0.00 0.00 -0.52 0.00 0.00 57.07 56.97 1wqs s TYR 145 Cb -0.09 0.59 0.02 0.00 0.38 0.00 0.00 41.96 42.87 1wqs s TYR 145 CO 0.38 -0.46 -0.10 -1.59 -1.52 0.00 0.00 175.55 172.27 1wqs s LYS 146 N -2.38 1.75 0.00 -3.49 -2.85 -1.26 -2.34 119.74 109.17 1wqs s LYS 146 Ca 0.19 -0.35 0.00 0.00 -1.00 0.00 0.00 55.97 54.81 1wqs s LYS 146 Cb 0.01 -1.69 0.00 0.00 -2.06 0.00 0.00 37.83 34.09 1wqs s LYS 146 CO -0.01 -0.22 0.00 -2.13 0.10 0.00 0.00 175.35 173.10 1wqs n ARG 147 N 4.74 0.00 -0.06 1.78 0.63 -0.65 -4.94 116.66 118.17 1wqs n ARG 147 Ca -0.15 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.73 1wqs n ARG 147 Cb 0.50 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.40 1wqs n ARG 147 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1wqs n ASN 148 N 0.00 1.43 0.09 6.15 5.15 -1.26 -4.87 115.26 121.95 1wqs n ASN 148 Ca 0.00 0.41 -0.22 0.00 -0.60 0.00 0.00 54.58 54.16 1wqs n ASN 148 Cb 0.00 -0.74 -0.15 0.00 -0.53 0.00 0.00 39.78 38.36 1wqs n ASN 148 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 1wqs h ASN 149 N -0.77 0.63 -5.20 1.20 -0.26 -2.03 -3.50 115.58 105.66 1wqs h ASN 149 Ca 0.00 -0.93 -0.08 0.00 -0.56 0.00 0.00 56.30 54.73 1wqs h ASN 149 Cb 0.57 -0.21 -0.12 0.00 -1.06 0.00 0.00 38.32 37.50 1wqs h ASN 149 CO 0.00 1.58 -0.23 1.51 -1.06 0.00 0.00 177.43 179.22 1wqs s ASP 150 N -7.26 -0.03 0.63 5.81 3.84 -1.26 -5.14 116.67 113.25 1wqs s ASP 150 Ca -0.12 -0.73 -0.12 0.00 -0.00 0.00 0.00 52.55 51.57 1wqs s ASP 150 Cb 0.03 0.46 -0.03 0.00 -1.38 0.00 0.00 42.92 42.00 1wqs s ASP 150 CO 0.88 -0.91 1.04 0.26 -0.00 0.00 0.00 175.17 176.43 1wqs s TRP 151 N -3.93 3.34 -0.10 2.11 0.51 -1.26 -1.63 118.94 117.99 1wqs s TRP 151 Ca 0.13 1.38 -0.08 0.00 -2.12 0.00 0.00 56.10 55.42 1wqs s TRP 151 Cb 0.02 -2.82 0.03 0.00 -0.81 0.00 0.00 33.47 29.89 1wqs s TRP 151 CO -0.02 -0.90 0.25 0.54 -0.51 0.00 0.00 176.95 176.30 1wqs s VAL 152 N -2.98 -0.01 0.16 4.03 0.11 -0.99 -3.33 120.40 117.39 1wqs s VAL 152 Ca 0.58 0.04 -0.09 0.00 -2.93 0.00 0.00 61.98 59.57 1wqs s VAL 152 Cb -0.13 -0.36 -0.06 0.00 -1.53 0.00 0.00 36.38 34.30 1wqs s VAL 152 CO 0.50 0.02 0.47 -0.69 -3.33 0.00 0.00 175.10 172.06 1wqs s VAL 153 N 0.42 5.02 0.00 2.04 1.01 -0.97 -2.43 120.40 125.49 1wqs s VAL 153 Ca -0.02 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1wqs s VAL 153 Cb -0.04 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1wqs s VAL 153 CO -0.02 0.09 0.01 0.00 0.00 0.00 0.00 175.10 175.18 1wqs n GLY 155 N 0.70 -2.40 3.38 0.00 0.00 -1.25 -4.61 105.19 101.01 1wqs n GLY 155 Ca 0.00 -1.35 -0.27 0.00 0.00 0.00 0.00 46.02 44.40 1wqs n GLY 155 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wqs s VAL 156 N -2.12 2.15 -0.56 1.61 1.01 -0.44 -1.92 120.40 120.13 1wqs s VAL 156 Ca 0.00 -1.81 -0.28 0.00 0.00 0.00 0.00 61.98 59.88 1wqs s VAL 156 Cb 0.00 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.46 1wqs s VAL 156 CO 0.00 -0.03 1.29 -2.28 0.00 0.00 0.00 175.10 174.08 1wqs s HIS 157 N -1.35 2.48 -0.16 5.22 5.04 0.30 -2.07 115.29 124.75 1wqs s HIS 157 Ca 0.15 0.46 -0.13 0.00 -1.54 0.00 0.00 55.06 53.99 1wqs s HIS 157 Cb -0.09 -4.46 -0.23 0.00 0.04 0.00 0.00 32.58 27.85 1wqs s HIS 157 CO 0.07 -1.75 0.29 0.00 -2.34 0.00 0.00 174.74 171.00 1wqs n ALA 158 N 8.88 0.84 -3.68 1.58 0.00 -1.07 -0.26 120.51 126.80 1wqs n ALA 158 Ca 0.11 -0.55 -0.03 0.00 0.00 0.00 0.00 53.44 52.96 1wqs n ALA 158 Cb 0.49 -0.62 -0.01 0.00 0.00 0.00 0.00 19.45 19.31 1wqs n ALA 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wqs s ALA 159 N -2.47 -1.81 -0.10 0.00 0.00 -0.31 -4.95 121.76 112.12 1wqs s ALA 159 Ca -0.25 0.44 -0.11 0.00 0.00 0.00 0.00 51.96 52.03 1wqs s ALA 159 Cb 0.06 0.52 0.03 0.00 0.00 0.00 0.00 23.12 23.73 1wqs s ALA 159 CO 0.69 -0.97 0.30 0.00 0.00 0.00 0.00 175.76 175.78 1wqs s ALA 160 N -3.06 -0.73 0.75 0.00 0.00 -1.26 -0.96 121.76 116.48 1wqs s ALA 160 Ca 0.11 0.78 -0.16 0.00 0.00 0.00 0.00 51.96 52.69 1wqs s ALA 160 Cb -0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 23.12 22.63 1wqs s ALA 160 CO -0.01 -0.15 0.27 2.41 0.00 0.00 0.00 175.76 178.27 1wqs n THR 161 N 2.75 1.14 -0.29 0.00 -1.04 -0.80 -4.68 114.28 111.37 1wqs n THR 161 Ca -0.14 -0.40 -0.04 0.00 -2.04 0.00 0.00 64.05 61.43 1wqs n THR 161 Cb 0.58 -0.54 0.07 0.00 -1.82 0.00 0.00 70.33 68.62 1wqs n THR 161 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1wqs h LYS 162 N -0.51 1.08 0.00 -2.82 6.56 -1.92 0.61 116.57 119.57 1wqs h LYS 162 Ca -0.44 -0.09 -0.00 0.00 -1.06 0.00 0.00 60.65 59.05 1wqs h LYS 162 Cb 1.35 -0.23 -0.00 0.00 -0.57 0.00 0.00 32.23 32.78 1wqs h LYS 162 CO 0.39 0.75 -0.01 0.66 -2.06 0.00 0.00 179.45 179.18 1wqs h SER 163 N 1.10 0.00 0.00 0.86 4.64 -1.93 -3.47 113.55 114.74 1wqs h SER 163 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1wqs h SER 163 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1wqs h SER 163 CO -0.06 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.53 1wqs n GLY 164 N 0.24 0.50 0.08 -0.77 0.00 0.20 -3.35 105.19 102.09 1wqs n GLY 164 Ca 0.01 -0.27 -0.05 0.00 0.00 0.00 0.00 46.02 45.71 1wqs n GLY 164 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1wqs h ASN 165 N 0.00 0.00 -4.27 1.61 -0.73 -1.81 -3.42 115.58 106.96 1wqs h ASN 165 Ca 0.00 0.00 -0.63 0.00 1.87 0.00 0.00 56.30 57.54 1wqs h ASN 165 Cb 0.00 0.00 -0.30 0.00 0.27 0.00 0.00 38.32 38.29 1wqs h ASN 165 CO 0.00 0.88 -0.86 -0.89 -0.37 0.00 0.00 177.43 176.19 1wqs s THR 166 N -2.93 1.76 0.13 -3.57 2.01 -1.26 -0.54 115.64 111.24 1wqs s THR 166 Ca 0.01 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.08 1wqs s THR 166 Cb 0.10 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 1wqs s THR 166 CO 0.80 0.50 -0.00 0.68 -0.69 0.00 0.00 174.62 175.90 1wqs s VAL 167 N -0.33 0.45 -0.04 3.82 -7.23 0.70 -1.90 120.40 115.87 1wqs s VAL 167 Ca 0.03 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.30 1wqs s VAL 167 Cb -0.10 -1.91 0.01 0.00 0.56 0.00 0.00 36.38 34.94 1wqs s VAL 167 CO 0.01 -0.65 -0.08 -0.69 -0.31 0.00 0.00 175.10 173.38 1wqs s VAL 168 N -3.80 0.77 -0.13 1.32 1.01 -0.14 -0.04 120.40 119.40 1wqs s VAL 168 Ca 0.19 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1wqs s VAL 168 Cb 0.07 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.74 1wqs s VAL 168 CO -0.01 0.26 -0.19 0.00 0.00 0.00 0.00 175.10 175.16 1wqs s ALA 170 N 0.93 3.69 0.34 0.00 0.00 -0.88 -0.25 121.76 125.59 1wqs s ALA 170 Ca -0.06 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1wqs s ALA 170 Cb -0.15 -3.76 -0.00 0.00 0.00 0.00 0.00 23.12 19.21 1wqs s ALA 170 CO -0.03 -1.27 0.01 1.33 0.00 0.00 0.00 175.76 175.80 1wqs n VAL 171 N 4.97 0.00 0.12 0.00 0.24 -1.26 -1.33 118.33 121.06 1wqs n VAL 171 Ca 0.18 -1.64 -0.05 0.00 -2.04 0.00 0.00 64.34 60.78 1wqs n VAL 171 Cb 0.40 0.35 -0.02 0.00 -1.47 0.00 0.00 33.84 33.10 1wqs n VAL 171 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1wqs h GLN 172 N 0.00 -0.33 0.00 7.34 5.75 -1.86 -3.41 115.11 122.61 1wqs h GLN 172 Ca -0.28 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.24 1wqs h GLN 172 Cb 0.87 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.50 1wqs h GLN 172 CO 0.47 -0.22 0.00 0.00 -2.65 0.00 0.00 178.83 176.43