#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4w h LEU 2 N 0.00 0.00 -0.60 0.27 3.38 -1.65 -0.99 115.31 115.72 1b4w h LEU 2 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1b4w h LEU 2 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1b4w h LEU 2 CO 0.00 0.05 0.00 -0.07 0.09 0.00 0.00 178.44 178.51 1b4w h LEU 3 N 0.00 0.00 0.15 1.67 3.38 -1.99 0.16 115.31 118.69 1b4w h LEU 3 Ca -0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 1b4w h LEU 3 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1b4w h LEU 3 CO 0.01 0.00 -1.86 1.56 0.09 0.00 0.00 178.44 178.24 1b4w h GLN 4 N 0.00 0.33 -0.61 1.13 4.20 -1.63 -3.21 115.11 115.31 1b4w h GLN 4 Ca 0.00 -0.56 0.03 0.00 0.06 0.00 0.00 58.65 58.18 1b4w h GLN 4 Cb 0.62 0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.57 1b4w h GLN 4 CO 0.00 1.27 0.38 0.35 -0.67 0.00 0.00 178.83 180.16 1b4w h PHE 5 N 0.07 0.71 -0.98 2.96 3.57 -1.11 -1.82 116.94 120.33 1b4w h PHE 5 Ca -0.38 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.22 1b4w h PHE 5 Cb 2.05 -0.23 -0.07 0.00 2.79 0.00 0.00 35.95 40.49 1b4w h PHE 5 CO 0.09 0.41 0.63 -0.09 -2.23 0.00 0.00 178.31 177.12 1b4w h ARG 6 N 0.75 1.06 -0.05 1.11 2.43 -1.07 -1.28 114.38 117.34 1b4w h ARG 6 Ca 0.24 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.26 1b4w h ARG 6 Cb 0.01 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 1b4w h ARG 6 CO -0.10 0.70 -0.40 0.87 -1.51 0.00 0.00 179.97 179.53 1b4w h LYS 7 N 1.09 0.10 -0.09 0.20 1.57 -1.35 -1.99 116.57 116.10 1b4w h LYS 7 Ca 0.44 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.15 1b4w h LYS 7 Cb 0.26 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1b4w h LYS 7 CO -0.20 0.49 -0.06 0.52 -0.57 0.00 0.00 179.45 179.63 1b4w h MET 8 N 0.09 0.20 -0.73 3.15 2.86 -0.72 -2.62 114.93 117.17 1b4w h MET 8 Ca 0.01 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1b4w h MET 8 Cb 0.75 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.38 1b4w h MET 8 CO 0.06 0.58 0.43 0.82 1.06 0.00 0.00 176.91 179.86 1b4w h ILE 9 N -0.18 1.21 0.17 -1.22 2.04 -1.27 -1.41 117.51 116.85 1b4w h ILE 9 Ca 0.02 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1b4w h ILE 9 Cb 0.52 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1b4w h ILE 9 CO 0.02 0.22 -0.08 0.50 0.00 0.00 0.00 178.15 178.81 1b4w h LYS 10 N 1.00 -0.22 -0.60 2.37 3.64 -1.37 0.15 116.57 121.55 1b4w h LYS 10 Ca 0.26 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.58 1b4w h LYS 10 Cb -0.02 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1b4w h LYS 10 CO -0.05 -0.14 0.07 -0.22 -2.27 0.00 0.00 179.45 176.84 1b4w h LYS 11 N -0.23 0.98 0.00 1.90 3.64 -1.35 1.14 116.57 122.65 1b4w h LYS 11 Ca -0.02 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1b4w h LYS 11 Cb 0.17 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1b4w h LYS 11 CO 0.04 0.92 -0.32 0.52 -2.27 0.00 0.00 179.45 178.34 1b4w h MET 12 N 0.92 0.00 0.00 1.90 2.86 -1.18 -3.38 114.93 116.05 1b4w h MET 12 Ca 0.18 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.73 1b4w h MET 12 Cb 0.43 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1b4w h MET 12 CO 0.01 0.00 -1.35 2.41 1.06 0.00 0.00 176.91 179.04 1b4w n THR 13 N -2.71 0.35 -0.76 2.22 -1.04 0.52 -4.64 114.28 108.23 1b4w n THR 13 Ca 0.03 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1b4w n THR 13 Cb 0.50 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 68.19 1b4w n THR 13 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1b4w n GLY 14 N 2.85 0.77 3.69 3.41 0.00 0.39 -5.03 105.19 111.27 1b4w n GLY 14 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 1b4w n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b4w s LYS 16 N -0.24 2.47 -0.38 1.61 1.02 -1.25 -5.04 119.74 117.94 1b4w s LYS 16 Ca 0.00 -1.12 -0.29 0.00 0.02 0.00 0.00 55.97 54.58 1b4w s LYS 16 Cb 0.00 -2.37 0.01 0.00 -0.52 0.00 0.00 37.83 34.95 1b4w s LYS 16 CO 0.00 0.44 1.35 -2.00 -0.92 0.00 0.00 175.35 174.22 1b4w s GLU 17 N -3.13 3.71 0.24 1.68 -6.30 -1.26 -4.21 118.70 109.43 1b4w s GLU 17 Ca 0.29 1.02 -0.05 0.00 -2.50 0.00 0.00 54.97 53.73 1b4w s GLU 17 Cb -0.09 -3.96 0.38 0.00 0.00 0.00 0.00 34.13 30.45 1b4w s GLU 17 CO 0.20 -1.39 1.81 -1.35 0.02 0.00 0.00 175.26 174.55 1b4w h PRO 18 N 10.08 0.78 -0.13 4.30 0.11 -1.93 -0.15 132.00 145.06 1b4w h PRO 18 Ca -0.27 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1b4w h PRO 18 Cb 1.10 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1b4w h PRO 18 CO 1.07 0.52 0.09 -0.24 -0.21 0.00 0.00 178.00 179.23 1b4w h VAL 19 N 0.80 1.03 0.04 3.15 3.04 -1.95 0.13 116.25 122.49 1b4w h VAL 19 Ca 0.39 -0.06 -0.29 0.00 -1.01 0.00 0.00 66.70 65.72 1b4w h VAL 19 Cb 0.33 0.84 -0.03 0.00 -2.01 0.00 0.00 31.29 30.42 1b4w h VAL 19 CO -0.23 0.03 -1.62 0.52 -1.01 0.00 0.00 177.57 175.26 1b4w n VAL 20 N -4.52 1.62 0.24 1.51 0.31 -0.90 -4.07 118.33 112.52 1b4w n VAL 20 Ca -0.01 -0.27 0.12 0.00 -0.01 0.00 0.00 64.34 64.17 1b4w n VAL 20 Cb 0.09 -1.92 0.09 0.00 -0.91 0.00 0.00 33.84 31.20 1b4w n VAL 20 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1b4w h SER 21 N -0.62 0.00 0.00 4.52 0.02 -0.98 -3.42 113.55 113.07 1b4w h SER 21 Ca -0.40 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1b4w h SER 21 Cb 1.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.12 1b4w h SER 21 CO -0.12 0.02 -0.56 -1.22 -1.14 0.00 0.00 176.83 173.80 1b4w n TYR 22 N -2.67 0.00 0.31 3.45 4.01 0.36 -4.62 117.16 117.99 1b4w n TYR 22 Ca 0.02 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.95 1b4w n TYR 22 Cb 0.52 0.00 1.05 0.00 -0.31 0.00 0.00 39.34 40.60 1b4w n TYR 22 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b4w h ALA 23 N 0.00 1.29 0.00 -0.72 0.00 -1.43 -2.97 119.26 115.43 1b4w h ALA 23 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b4w h ALA 23 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1b4w h ALA 23 CO 0.00 -0.06 -0.34 1.19 0.00 0.00 0.00 179.25 180.04 1b4w n PHE 24 N -3.40 0.00 -2.41 0.00 3.01 -1.26 -3.53 117.46 109.87 1b4w n PHE 24 Ca -0.02 -0.34 -0.41 0.00 1.01 0.00 0.00 57.45 57.68 1b4w n PHE 24 Cb 0.12 -0.09 -0.04 0.00 -0.01 0.00 0.00 39.48 39.47 1b4w n PHE 24 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1b4w s TYR 25 N -0.97 3.47 0.00 1.38 6.14 -1.12 -1.06 117.35 125.19 1b4w s TYR 25 Ca 0.11 1.58 0.00 0.00 0.64 0.00 0.00 57.07 59.40 1b4w s TYR 25 Cb 0.10 -3.37 0.00 0.00 0.42 0.00 0.00 41.96 39.11 1b4w s TYR 25 CO 0.01 -0.90 0.00 0.41 0.64 0.00 0.00 175.55 175.71 1b4w n GLY 26 N 1.50 2.48 0.00 8.97 0.00 0.07 -2.66 105.19 115.55 1b4w n GLY 26 Ca 0.01 -0.29 0.05 0.00 0.00 0.00 0.00 46.02 45.78 1b4w n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b4w n TYR 28 N -1.25 0.00 0.15 0.00 4.01 -1.26 -2.22 117.16 116.59 1b4w n TYR 28 Ca 0.02 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.77 1b4w n TYR 28 Cb 0.16 0.00 0.33 0.00 -0.31 0.00 0.00 39.34 39.53 1b4w n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b4w n GLY 30 N -0.49 -2.51 3.80 0.00 0.00 -1.23 -4.62 105.19 100.14 1b4w n GLY 30 Ca -0.02 -1.33 -0.34 0.00 0.00 0.00 0.00 46.02 44.33 1b4w n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b4w s SER 31 N -1.65 6.21 0.76 1.61 0.01 -1.26 -4.77 113.70 114.60 1b4w s SER 31 Ca 0.00 1.92 0.00 0.00 1.31 0.00 0.00 55.95 59.18 1b4w s SER 31 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1b4w s SER 31 CO 0.00 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.38 1b4w n GLY 32 N -0.37 2.29 0.00 3.44 0.00 -1.26 -4.93 105.19 104.36 1b4w n GLY 32 Ca 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1b4w n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b4w n GLY 33 N 0.00 2.78 3.30 -0.02 0.00 -1.26 -4.66 105.19 105.33 1b4w n GLY 33 Ca 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 1b4w n GLY 33 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1b4w s ARG 34 N -1.94 0.95 4.39 1.61 1.70 -0.94 -5.00 118.95 119.72 1b4w s ARG 34 Ca 0.00 -0.57 0.00 0.00 -0.47 0.00 0.00 55.73 54.69 1b4w s ARG 34 Cb 0.00 0.41 0.00 0.00 -0.57 0.00 0.00 34.95 34.79 1b4w s ARG 34 CO 0.00 -0.34 0.00 0.41 -1.08 0.00 0.00 175.30 174.29 1b4w n GLY 35 N 0.20 1.14 3.59 3.88 0.00 -1.17 -4.64 105.19 108.19 1b4w n GLY 35 Ca -0.17 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 1b4w n GLY 35 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b4w s LYS 36 N 0.00 3.02 0.17 1.61 2.47 -1.26 -2.03 119.74 123.73 1b4w s LYS 36 Ca 0.00 -0.51 -0.34 0.00 -1.56 0.00 0.00 55.97 53.57 1b4w s LYS 36 Cb 0.00 -2.71 -0.14 0.00 -1.46 0.00 0.00 37.83 33.51 1b4w s LYS 36 CO 0.00 0.57 1.47 -2.30 0.16 0.00 0.00 175.35 175.25 1b4w n PRO 37 N 2.51 1.90 -0.22 4.03 -0.02 -1.26 -4.78 135.00 137.17 1b4w n PRO 37 Ca -0.18 0.68 -0.09 0.00 -2.02 0.00 0.00 63.50 61.90 1b4w n PRO 37 Cb 0.53 -2.38 0.03 0.00 -0.02 0.00 0.00 33.50 31.65 1b4w n PRO 37 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1b4w h LYS 38 N 5.09 1.02 0.00 -0.52 1.79 -1.96 -3.47 116.57 118.51 1b4w h LYS 38 Ca -0.45 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 57.74 1b4w h LYS 38 Cb 1.28 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1b4w h LYS 38 CO 0.82 0.96 0.00 -0.40 -1.08 0.00 0.00 179.45 179.75 1b4w n ASP 39 N -4.28 0.00 0.16 0.86 5.75 -1.26 -5.01 116.55 112.78 1b4w n ASP 39 Ca 0.03 -0.47 -0.14 0.00 -0.01 0.00 0.00 54.79 54.20 1b4w n ASP 39 Cb 0.29 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.31 1b4w n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b4w h ALA 40 N 1.83 -0.40 -0.86 2.12 0.00 -1.92 0.07 119.26 120.10 1b4w h ALA 40 Ca 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1b4w h ALA 40 Cb 0.00 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1b4w h ALA 40 CO 0.00 -0.74 0.54 1.15 0.00 0.00 0.00 179.25 180.20 1b4w h THR 41 N -0.42 1.09 0.00 0.00 2.02 -1.90 -0.19 112.91 113.51 1b4w h THR 41 Ca -0.02 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.76 1b4w h THR 41 Cb 0.37 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 1b4w h THR 41 CO 0.00 0.19 -0.25 -0.78 0.37 0.00 0.00 175.52 175.05 1b4w h ASP 42 N 1.03 0.00 0.34 4.18 3.58 -1.86 -1.31 116.42 122.38 1b4w h ASP 42 Ca 0.36 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.70 1b4w h ASP 42 Cb 0.08 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 1b4w h ASP 42 CO -0.14 0.25 -0.46 -0.09 -2.88 0.00 0.00 179.24 175.93 1b4w h ARG 43 N 0.00 0.14 -0.54 0.28 2.43 0.81 -1.13 114.38 116.37 1b4w h ARG 43 Ca -0.00 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1b4w h ARG 43 Cb 0.47 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1b4w h ARG 43 CO 0.03 0.58 0.33 0.00 -1.51 0.00 0.00 179.97 179.40 1b4w h PHE 46 N 0.34 0.69 -0.42 0.00 3.57 -0.58 -0.22 116.94 120.33 1b4w h PHE 46 Ca 0.02 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.35 1b4w h PHE 46 Cb 0.95 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1b4w h PHE 46 CO 0.03 0.67 -0.05 0.28 -2.23 0.00 0.00 178.31 177.01 1b4w h VAL 47 N 0.51 1.27 -0.52 1.41 2.07 -0.91 -1.72 116.25 118.35 1b4w h VAL 47 Ca 0.12 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1b4w h VAL 47 Cb 0.34 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1b4w h VAL 47 CO 0.00 0.38 0.34 -0.74 0.02 0.00 0.00 177.57 177.57 1b4w h HIS 48 N 0.60 0.66 -0.50 1.57 -0.00 -1.00 0.11 115.15 116.59 1b4w h HIS 48 Ca 0.11 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.40 1b4w h HIS 48 Cb 0.56 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.74 1b4w h HIS 48 CO 0.04 0.42 -0.04 0.22 -0.00 0.00 0.00 177.93 178.58 1b4w h ASP 49 N 0.71 0.90 0.30 3.26 3.58 -0.65 -1.53 116.42 122.99 1b4w h ASP 49 Ca 0.19 -0.33 -0.08 0.00 0.42 0.00 0.00 57.03 57.23 1b4w h ASP 49 Cb -0.07 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.73 1b4w h ASP 49 CO -0.04 1.01 -0.35 0.00 -2.88 0.00 0.00 179.24 176.98 1b4w h TYR 52 N -0.17 0.00 0.00 0.00 -1.99 -1.19 -2.51 116.97 111.12 1b4w h TYR 52 Ca 0.02 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.66 1b4w h TYR 52 Cb 0.44 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.16 1b4w h TYR 52 CO 0.06 0.16 -0.44 0.93 -0.00 0.00 0.00 178.16 178.86 1b4w h GLU 53 N 0.00 0.00 0.00 4.88 4.39 -1.42 -3.02 114.58 119.41 1b4w h GLU 53 Ca -0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1b4w h GLU 53 Cb 0.39 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1b4w h GLU 53 CO 0.02 0.44 -0.24 0.87 -1.16 0.00 0.00 179.01 178.95 1b4w h LYS 54 N 0.00 0.00 -6.32 2.33 1.57 -1.37 -3.44 116.57 109.34 1b4w h LYS 54 Ca -0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1b4w h LYS 54 Cb 1.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1b4w h LYS 54 CO 0.06 0.24 0.90 0.08 -0.57 0.00 0.00 179.45 180.15 1b4w s VAL 55 N -3.20 3.76 -0.08 0.50 1.01 -1.14 -4.91 120.40 116.33 1b4w s VAL 55 Ca 0.04 1.07 -0.02 0.00 0.00 0.00 0.00 61.98 63.08 1b4w s VAL 55 Cb 0.07 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1b4w s VAL 55 CO 0.69 -0.03 -0.09 1.07 0.00 0.00 0.00 175.10 176.74 1b4w n THR 56 N 4.93 0.45 0.31 3.92 5.66 -1.26 -4.78 114.28 123.51 1b4w n THR 56 Ca 0.14 -0.14 0.20 0.00 -3.05 0.00 0.00 64.05 61.19 1b4w n THR 56 Cb 0.44 -1.17 0.93 0.00 -1.55 0.00 0.00 70.33 68.97 1b4w n THR 56 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1b4w h GLY 59 N 0.18 0.00 -1.25 1.09 0.00 -1.96 -3.46 103.07 97.66 1b4w h GLY 59 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.85 1b4w h GLY 59 CO -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 176.54 176.23 1b4w s ASP 67 N -2.67 6.18 0.50 0.00 -1.08 -1.26 -4.94 116.67 113.39 1b4w s ASP 67 Ca 0.26 -1.50 0.17 0.00 -0.52 0.00 0.00 52.55 50.96 1b4w s ASP 67 Cb 0.00 -2.22 1.21 0.00 -1.46 0.00 0.00 42.92 40.46 1b4w s ASP 67 CO 0.18 -0.80 2.08 1.55 0.52 0.00 0.00 175.17 178.70 1b4w h PRO 68 N 8.87 0.12 0.05 4.34 0.13 -1.91 0.21 132.00 143.82 1b4w h PRO 68 Ca -0.29 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.73 1b4w h PRO 68 Cb 1.10 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.22 1b4w h PRO 68 CO 0.98 0.08 -0.41 0.87 -0.23 0.00 0.00 178.00 179.28 1b4w h LYS 69 N 0.13 0.19 -0.02 0.86 1.57 -1.96 -3.32 116.57 114.02 1b4w h LYS 69 Ca 0.11 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1b4w h LYS 69 Cb 0.29 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1b4w h LYS 69 CO -0.01 1.08 0.00 0.91 -0.57 0.00 0.00 179.45 180.85 1b4w n TRP 70 N -4.37 0.00 -3.18 -1.35 7.02 -1.15 -2.06 117.44 112.35 1b4w n TRP 70 Ca -0.11 -0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 55.98 1b4w n TRP 70 Cb 0.63 -0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.46 1b4w n TRP 70 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1b4w s ASP 71 N -0.99 6.93 0.17 -0.99 1.11 0.74 -4.77 116.67 118.87 1b4w s ASP 71 Ca 0.14 1.12 -0.26 0.00 0.18 0.00 0.00 52.55 53.73 1b4w s ASP 71 Cb 0.10 -2.36 -0.08 0.00 1.07 0.00 0.00 42.92 41.65 1b4w s ASP 71 CO 0.15 0.04 0.80 -1.81 1.18 0.00 0.00 175.17 175.52 1b4w s ASP 72 N 0.16 7.41 0.30 0.27 1.11 -1.26 0.66 116.67 125.33 1b4w s ASP 72 Ca 0.32 1.67 0.07 0.00 0.18 0.00 0.00 52.55 54.79 1b4w s ASP 72 Cb -0.18 -2.51 -0.06 0.00 1.07 0.00 0.00 42.92 41.24 1b4w s ASP 72 CO 0.16 0.19 -0.05 -0.72 1.18 0.00 0.00 175.17 175.94 1b4w s TYR 73 N -1.07 2.07 -0.10 4.23 -0.85 -1.26 -4.87 117.35 115.50 1b4w s TYR 73 Ca 0.37 -0.69 -0.03 0.00 -0.52 0.00 0.00 57.07 56.19 1b4w s TYR 73 Cb -0.23 -1.23 -0.03 0.00 0.38 0.00 0.00 41.96 40.85 1b4w s TYR 73 CO 0.27 0.31 0.03 0.95 -1.52 0.00 0.00 175.55 175.59 1b4w s THR 74 N -2.95 4.56 0.23 -3.49 -4.23 -1.26 -4.95 115.64 103.54 1b4w s THR 74 Ca 0.31 -0.15 -0.17 0.00 -1.18 0.00 0.00 61.69 60.50 1b4w s THR 74 Cb 0.05 -2.95 0.02 0.00 1.34 0.00 0.00 72.50 70.95 1b4w s THR 74 CO 0.14 0.59 0.56 -0.72 -0.54 0.00 0.00 174.62 174.65 1b4w s TYR 75 N -0.77 -0.01 0.14 3.99 1.13 -1.26 -1.53 117.35 119.04 1b4w s TYR 75 Ca 0.12 -0.37 -0.07 0.00 -1.41 0.00 0.00 57.07 55.34 1b4w s TYR 75 Cb -0.12 0.41 -0.02 0.00 -1.10 0.00 0.00 41.96 41.14 1b4w s TYR 75 CO 0.02 -1.01 0.20 -1.12 -2.51 0.00 0.00 175.55 171.14 1b4w s SER 76 N -2.92 0.13 -0.54 -0.18 0.01 0.11 -4.94 113.70 105.36 1b4w s SER 76 Ca 0.13 -0.91 0.01 0.00 1.31 0.00 0.00 55.95 56.50 1b4w s SER 76 Cb -0.02 0.38 0.54 0.00 0.21 0.00 0.00 66.02 67.13 1b4w s SER 76 CO 0.03 -0.81 1.92 0.79 0.41 0.00 0.00 173.24 175.57 1b4w n TRP 77 N -0.14 3.03 -1.36 2.43 7.02 -1.26 0.12 117.44 127.28 1b4w n TRP 77 Ca -0.09 -2.45 -0.54 0.00 -1.02 0.00 0.00 57.50 53.40 1b4w n TRP 77 Cb 0.63 -1.15 -0.10 0.00 -2.42 0.00 0.00 31.31 28.27 1b4w n TRP 77 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1b4w n LYS 78 N -1.01 0.52 -3.15 -0.99 4.81 -1.04 -2.20 118.16 115.10 1b4w n LYS 78 Ca 0.59 0.14 -0.12 0.00 -0.87 0.00 0.00 58.31 58.05 1b4w n LYS 78 Cb 1.10 -1.99 0.05 0.00 0.02 0.00 0.00 35.03 34.22 1b4w n LYS 78 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1b4w n ASN 79 N 8.94 -6.69 0.00 3.14 4.05 -1.26 -2.97 115.26 120.48 1b4w n ASN 79 Ca 0.49 -0.56 0.00 0.00 0.45 0.00 0.00 54.58 54.95 1b4w n ASN 79 Cb 0.10 -5.05 0.00 0.00 1.23 0.00 0.00 39.78 36.06 1b4w n ASN 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1b4w n GLY 80 N -1.34 0.00 3.34 8.20 0.00 -0.93 -4.90 105.19 109.56 1b4w n GLY 80 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1b4w n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b4w s THR 81 N -0.77 2.19 0.12 2.61 2.01 -1.16 -5.08 115.64 115.56 1b4w s THR 81 Ca 0.00 -1.23 -0.31 0.00 0.31 0.00 0.00 61.69 60.47 1b4w s THR 81 Cb 0.00 -1.81 -0.08 0.00 0.01 0.00 0.00 72.50 70.62 1b4w s THR 81 CO 0.00 0.47 1.32 -0.63 -0.69 0.00 0.00 174.62 175.09 1b4w s ILE 82 N -0.72 3.48 -0.13 1.82 1.01 -1.26 -2.50 121.20 122.88 1b4w s ILE 82 Ca 0.11 1.09 0.01 0.00 0.00 0.00 0.00 60.65 61.86 1b4w s ILE 82 Cb -0.10 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.69 1b4w s ILE 82 CO 0.01 0.10 -0.15 -0.69 0.00 0.00 0.00 174.94 174.22 1b4w s VAL 83 N 0.85 1.55 -0.09 2.92 1.01 0.33 -4.94 120.40 122.03 1b4w s VAL 83 Ca 0.61 -0.64 -0.20 0.00 0.00 0.00 0.00 61.98 61.76 1b4w s VAL 83 Cb -0.35 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1b4w s VAL 83 CO 0.32 0.45 0.55 0.00 0.00 0.00 0.00 175.10 176.42 1b4w n GLY 85 N 3.08 5.88 0.00 0.00 0.00 -0.58 -4.98 105.19 108.59 1b4w n GLY 85 Ca -0.06 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1b4w n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b4w n GLY 86 N 3.66 0.61 0.01 -0.02 0.00 -1.26 -4.57 105.19 103.62 1b4w n GLY 86 Ca 0.00 -1.83 0.11 0.00 0.00 0.00 0.00 46.02 44.30 1b4w n GLY 86 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4w n ASP 88 N -0.63 0.57 -4.59 1.61 9.92 -1.26 -4.86 116.55 117.31 1b4w n ASP 88 Ca 0.00 -0.44 -0.43 0.00 -0.53 0.00 0.00 54.79 53.39 1b4w n ASP 88 Cb 0.00 1.23 -0.03 0.00 -0.64 0.00 0.00 41.12 41.68 1b4w n ASP 88 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1b4w s ASP 89 N -3.76 6.59 0.47 -2.24 -1.08 -1.26 -4.91 116.67 110.48 1b4w s ASP 89 Ca 0.02 0.35 0.20 0.00 -0.52 0.00 0.00 52.55 52.60 1b4w s ASP 89 Cb 0.15 -2.52 1.18 0.00 -1.46 0.00 0.00 42.92 40.26 1b4w s ASP 89 CO 0.86 -1.21 2.01 1.55 0.52 0.00 0.00 175.17 178.89 1b4w h PRO 90 N 9.21 0.00 0.13 4.34 0.13 -1.95 -1.93 132.00 141.92 1b4w h PRO 90 Ca -0.23 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.89 1b4w h PRO 90 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1b4w h PRO 90 CO 1.10 0.18 -0.06 0.00 -0.23 0.00 0.00 178.00 178.99 1b4w h LYS 92 N -0.81 0.67 -0.31 0.00 1.57 -1.93 -0.66 116.57 115.10 1b4w h LYS 92 Ca -0.02 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.53 1b4w h LYS 92 Cb 0.55 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1b4w h LYS 92 CO 0.03 0.55 -0.37 -0.22 -0.57 0.00 0.00 179.45 178.87 1b4w h LYS 93 N 0.66 0.71 -0.52 3.15 3.64 -1.40 -1.38 116.57 121.44 1b4w h LYS 93 Ca 0.16 -0.35 0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1b4w h LYS 93 Cb 0.14 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 1b4w h LYS 93 CO -0.02 0.97 0.28 1.49 -2.27 0.00 0.00 179.45 179.90 1b4w h GLU 94 N 0.59 0.54 0.00 1.90 4.81 0.29 -0.90 114.58 121.81 1b4w h GLU 94 Ca 0.06 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1b4w h GLU 94 Cb 0.90 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1b4w h GLU 94 CO 0.08 0.36 -0.27 -0.24 -0.73 0.00 0.00 179.01 178.20 1b4w h VAL 95 N 0.55 0.61 -0.24 0.32 3.04 -1.00 -2.77 116.25 116.76 1b4w h VAL 95 Ca 0.22 -1.34 -0.13 0.00 -1.01 0.00 0.00 66.70 64.45 1b4w h VAL 95 Cb 0.09 1.90 -0.01 0.00 -2.01 0.00 0.00 31.29 31.26 1b4w h VAL 95 CO -0.13 0.27 -0.39 0.00 -1.01 0.00 0.00 177.57 176.31 1b4w h GLU 97 N 0.45 0.33 -0.12 0.00 4.39 -0.95 -0.21 114.58 118.47 1b4w h GLU 97 Ca 0.04 -0.19 0.01 0.00 0.34 0.00 0.00 59.36 59.56 1b4w h GLU 97 Cb 0.88 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 1b4w h GLU 97 CO 0.07 0.76 0.05 0.00 -1.16 0.00 0.00 179.01 178.73 1b4w h ASP 99 N 0.11 0.19 -0.65 0.00 5.19 -1.28 -2.24 116.42 117.74 1b4w h ASP 99 Ca 0.05 -0.26 0.09 0.00 -0.62 0.00 0.00 57.03 56.28 1b4w h ASP 99 Cb 0.02 -0.05 -0.07 0.00 0.18 0.00 0.00 39.33 39.41 1b4w h ASP 99 CO -0.04 0.40 0.29 0.50 -3.12 0.00 0.00 179.24 177.28 1b4w h LYS 100 N -0.04 0.50 -0.69 3.56 3.11 -0.89 -0.49 116.57 121.63 1b4w h LYS 100 Ca 0.04 -0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 57.78 1b4w h LYS 100 Cb 0.30 -0.11 -0.03 0.00 -1.00 0.00 0.00 32.23 31.39 1b4w h LYS 100 CO 0.00 0.33 0.19 0.00 -2.81 0.00 0.00 179.45 177.16 1b4w h ALA 101 N 1.41 0.91 -0.20 5.00 0.00 -1.10 -2.39 119.26 122.90 1b4w h ALA 101 Ca 0.32 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1b4w h ALA 101 Cb 0.36 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1b4w h ALA 101 CO -0.28 0.62 0.03 0.00 0.00 0.00 0.00 179.25 179.62 1b4w h ALA 102 N 1.09 0.26 -0.92 0.00 0.00 -0.70 0.07 119.26 119.06 1b4w h ALA 102 Ca 0.22 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1b4w h ALA 102 Cb 0.34 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1b4w h ALA 102 CO -0.00 -0.06 0.59 0.00 0.00 0.00 0.00 179.25 179.78 1b4w h ALA 103 N 0.82 1.23 -0.15 0.00 0.00 -1.06 0.32 119.26 120.43 1b4w h ALA 103 Ca 0.06 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1b4w h ALA 103 Cb 0.33 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1b4w h ALA 103 CO 0.00 0.42 -0.44 0.82 0.00 0.00 0.00 179.25 180.05 1b4w h ILE 104 N 1.12 1.32 -0.53 0.00 2.04 -1.28 -2.17 117.51 118.01 1b4w h ILE 104 Ca 0.38 -1.62 -0.07 0.00 1.00 0.00 0.00 64.86 64.55 1b4w h ILE 104 Cb 0.07 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1b4w h ILE 104 CO -0.14 0.49 0.05 0.00 0.00 0.00 0.00 178.15 178.55 1b4w h PHE 106 N 0.81 0.85 -0.41 0.00 0.04 -0.75 -2.84 116.94 114.65 1b4w h PHE 106 Ca 0.16 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1b4w h PHE 106 Cb 0.41 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 1b4w h PHE 106 CO 0.02 0.95 0.25 -0.09 -0.60 0.00 0.00 178.31 178.85 1b4w h ARG 107 N 0.51 0.54 -0.02 1.51 2.43 -1.05 -1.43 114.38 116.87 1b4w h ARG 107 Ca 0.07 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1b4w h ARG 107 Cb 0.74 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1b4w h ARG 107 CO 0.06 0.39 -0.30 -0.44 -1.51 0.00 0.00 179.97 178.17 1b4w h ASP 108 N 0.54 0.04 -0.52 -3.80 3.32 -1.23 -3.03 116.42 111.73 1b4w h ASP 108 Ca 0.15 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1b4w h ASP 108 Cb -0.02 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1b4w h ASP 108 CO -0.03 0.34 0.00 0.59 -1.72 0.00 0.00 179.24 178.42 1b4w n ASN 109 N -4.17 4.15 -0.24 6.45 3.02 -1.07 -4.53 115.26 118.87 1b4w n ASN 109 Ca -0.02 -2.41 0.16 0.00 -0.03 0.00 0.00 54.58 52.28 1b4w n ASN 109 Cb 0.35 -0.49 0.46 0.00 -0.61 0.00 0.00 39.78 39.49 1b4w n ASN 109 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1b4w h LEU 110 N 3.27 0.51 -2.45 3.41 5.85 -1.14 -0.39 115.31 124.36 1b4w h LEU 110 Ca 0.00 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1b4w h LEU 110 Cb 1.26 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 1b4w h LEU 110 CO 0.16 0.23 -0.01 0.11 -0.34 0.00 0.00 178.44 178.59 1b4w h LYS 111 N 0.52 0.00 -0.51 1.25 6.56 -1.84 -1.78 116.57 120.77 1b4w h LYS 111 Ca 0.44 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.03 1b4w h LYS 111 Cb 0.93 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.59 1b4w h LYS 111 CO -0.18 0.01 0.00 0.25 -2.06 0.00 0.00 179.45 177.47 1b4w n THR 112 N -3.79 0.83 -1.91 -0.16 -2.24 -0.16 -4.98 114.28 101.87 1b4w n THR 112 Ca -0.03 -0.91 -0.42 0.00 -2.27 0.00 0.00 64.05 60.42 1b4w n THR 112 Cb 0.09 0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 68.95 1b4w n THR 112 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1b4w s TYR 113 N -1.11 2.58 -0.18 4.78 6.14 -0.67 -4.90 117.35 123.99 1b4w s TYR 113 Ca 0.38 0.37 -0.01 0.00 0.64 0.00 0.00 57.07 58.45 1b4w s TYR 113 Cb 0.20 -3.98 0.00 0.00 0.42 0.00 0.00 41.96 38.61 1b4w s TYR 113 CO 0.27 -3.84 -0.13 0.15 0.64 0.00 0.00 175.55 172.64 1b4w s LYS 114 N 2.20 3.20 0.48 4.97 3.01 -1.26 -5.00 119.74 127.34 1b4w s LYS 114 Ca 0.73 -0.74 0.14 0.00 -1.01 0.00 0.00 55.97 55.10 1b4w s LYS 114 Cb -0.42 -2.72 1.12 0.00 -1.01 0.00 0.00 37.83 34.81 1b4w s LYS 114 CO 0.32 -0.11 2.09 0.87 0.51 0.00 0.00 175.35 179.04 1b4w h LYS 115 N 7.72 0.11 0.00 1.68 1.57 -1.96 -0.86 116.57 124.83 1b4w h LYS 115 Ca -0.39 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1b4w h LYS 115 Cb 1.17 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1b4w h LYS 115 CO 0.60 0.12 0.00 2.89 -0.57 0.00 0.00 179.45 182.49 1b4w n ARG 116 N -4.48 0.14 0.01 3.15 1.85 -1.26 -2.10 116.66 113.97 1b4w n ARG 116 Ca -0.02 0.57 0.11 0.00 -1.00 0.00 0.00 57.85 57.52 1b4w n ARG 116 Cb 0.12 -1.90 -0.10 0.00 -1.05 0.00 0.00 32.46 29.53 1b4w n ARG 116 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1b4w n TYR 117 N -2.18 0.17 -2.38 2.89 4.01 -0.33 -4.74 117.16 114.60 1b4w n TYR 117 Ca -0.00 0.05 -0.35 0.00 -0.16 0.00 0.00 57.90 57.44 1b4w n TYR 117 Cb 0.08 -0.47 -0.01 0.00 -0.31 0.00 0.00 39.34 38.63 1b4w n TYR 117 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b4w s MET 118 N -3.35 3.54 -1.69 -0.72 0.23 -0.89 -0.75 119.30 115.66 1b4w s MET 118 Ca -0.02 1.50 0.00 0.00 -1.03 0.00 0.00 55.69 56.14 1b4w s MET 118 Cb 0.14 -2.04 0.00 0.00 -1.53 0.00 0.00 34.83 31.40 1b4w s MET 118 CO 0.87 -0.67 0.00 0.00 -2.03 0.00 0.00 175.02 173.19 1b4w n ALA 119 N -1.16 -0.64 -2.29 3.16 0.00 -0.22 -4.88 120.51 114.49 1b4w n ALA 119 Ca 0.11 0.16 -0.42 0.00 0.00 0.00 0.00 53.44 53.29 1b4w n ALA 119 Cb 0.52 -2.09 -0.03 0.00 0.00 0.00 0.00 19.45 17.85 1b4w n ALA 119 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1b4w s TYR 120 N -2.97 3.17 -0.04 0.00 6.14 -1.08 -4.96 117.35 117.61 1b4w s TYR 120 Ca 0.00 1.04 -0.30 0.00 0.64 0.00 0.00 57.07 58.45 1b4w s TYR 120 Cb 0.00 -3.57 -0.06 0.00 0.42 0.00 0.00 41.96 38.75 1b4w s TYR 120 CO 0.00 -1.97 1.73 -2.14 0.64 0.00 0.00 175.55 173.81 1b4w s PRO 121 N 1.60 4.14 0.59 4.97 0.02 -1.26 -4.80 135.00 140.26 1b4w s PRO 121 Ca 0.62 2.26 0.33 0.00 0.02 0.00 0.00 61.00 64.23 1b4w s PRO 121 Cb -0.32 -4.03 1.83 0.00 0.02 0.00 0.00 34.50 32.00 1b4w s PRO 121 CO 0.28 -0.91 2.22 -0.44 -0.33 0.00 0.00 177.00 177.82 1b4w h ASP 122 N 9.92 0.00 0.37 2.53 5.19 -1.93 -1.81 116.42 130.69 1b4w h ASP 122 Ca -0.41 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.98 1b4w h ASP 122 Cb 1.19 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.70 1b4w h ASP 122 CO 0.95 0.04 -0.05 0.40 -3.12 0.00 0.00 179.24 177.45 1b4w h ILE 124 N 0.00 0.30 -0.04 0.35 1.08 -2.00 -1.19 117.51 116.00 1b4w h ILE 124 Ca -0.00 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 1b4w h ILE 124 Cb 0.12 1.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.13 1b4w h ILE 124 CO 0.00 0.05 0.00 0.18 -0.69 0.00 0.00 178.15 177.70 1b4w n LEU 125 N -3.39 1.27 -4.78 1.44 4.77 -0.68 -4.90 117.00 110.74 1b4w n LEU 125 Ca -0.02 -0.45 -0.38 0.00 -0.03 0.00 0.00 56.01 55.14 1b4w n LEU 125 Cb 0.19 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 1b4w n LEU 125 CO 0.27 0.22 0.62 0.00 -1.33 0.00 0.00 177.39 177.17 1b4w n SER 127 N 0.90 -2.19 0.09 0.00 2.88 -1.26 -4.78 113.62 109.25 1b4w n SER 127 Ca -0.00 0.65 -0.05 0.00 -1.33 0.00 0.00 58.87 58.14 1b4w n SER 127 Cb 0.49 -1.06 -0.02 0.00 -0.75 0.00 0.00 64.21 62.88 1b4w n SER 127 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1b4w h SER 128 N -0.03 0.00 -3.65 -3.46 0.02 -1.95 -3.10 113.55 101.37 1b4w h SER 128 Ca -0.44 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 59.82 1b4w h SER 128 Cb 1.40 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.73 1b4w h SER 128 CO 0.43 0.86 -0.49 -0.75 -1.14 0.00 0.00 176.83 175.74 1b4w s LYS 129 N -3.02 3.31 0.18 3.45 2.20 -1.26 -4.77 119.74 119.84 1b4w s LYS 129 Ca 0.00 -0.76 -0.23 0.00 -0.36 0.00 0.00 55.97 54.62 1b4w s LYS 129 Cb 0.11 -3.78 -0.08 0.00 -1.51 0.00 0.00 37.83 32.57 1b4w s LYS 129 CO 0.80 -0.51 0.74 -1.12 -0.36 0.00 0.00 175.35 174.90 1b4w s SER 130 N 1.68 7.24 0.49 1.43 0.01 -1.26 -4.12 113.70 119.16 1b4w s SER 130 Ca 0.05 1.53 -0.22 0.00 1.31 0.00 0.00 55.95 58.63 1b4w s SER 130 Cb -0.18 -2.46 -0.07 0.00 0.21 0.00 0.00 66.02 63.53 1b4w s SER 130 CO 0.09 0.15 1.17 -0.70 0.41 0.00 0.00 173.24 174.36 1b4w s GLU 131 N -1.47 3.58 0.07 12.44 2.12 -0.86 -4.91 118.70 129.68 1b4w s GLU 131 Ca 0.38 1.77 -0.07 0.00 0.36 0.00 0.00 54.97 57.41 1b4w s GLU 131 Cb -0.20 -2.28 -0.05 0.00 0.26 0.00 0.00 34.13 31.85 1b4w s GLU 131 CO 0.24 -0.70 0.34 0.15 -0.54 0.00 0.00 175.26 174.75 1b4w s LYS 132 N -2.88 3.64 0.00 4.30 1.02 -1.26 -5.01 119.74 119.55 1b4w s LYS 132 Ca 0.67 -0.01 0.12 0.00 0.02 0.00 0.00 55.97 56.77 1b4w s LYS 132 Cb -0.28 -2.98 0.72 0.00 -0.52 0.00 0.00 37.83 34.77 1b4w s LYS 132 CO 0.34 0.56 1.15 0.00 -0.92 0.00 0.00 175.35 176.49