#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1x h LEU 2 N 0.00 -0.11 -0.91 1.04 5.85 -1.05 -0.35 115.31 119.78 3h1x h LEU 2 Ca 0.00 0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 3h1x h LEU 2 Cb 0.00 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 3h1x h LEU 2 CO 0.00 -0.25 0.16 -0.07 -0.34 0.00 0.00 178.44 177.94 3h1x h LEU 3 N 0.12 0.90 -0.21 2.25 3.38 -1.94 0.80 115.31 120.61 3h1x h LEU 3 Ca 0.60 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 58.28 3h1x h LEU 3 Cb 1.29 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 3h1x h LEU 3 CO -0.75 0.87 -0.34 -0.08 0.09 0.00 0.00 178.44 178.22 3h1x h GLU 4 N 0.92 0.60 -0.80 1.13 4.81 -1.75 -1.81 114.58 117.68 3h1x h GLU 4 Ca 0.20 -0.37 0.03 0.00 -0.13 0.00 0.00 59.36 59.09 3h1x h GLU 4 Cb 0.31 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.68 3h1x h GLU 4 CO -0.00 0.98 0.52 0.35 -0.73 0.00 0.00 179.01 180.12 3h1x h PHE 5 N 0.28 0.97 -0.72 0.92 3.57 -0.85 -0.49 116.94 120.62 3h1x h PHE 5 Ca 0.02 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3h1x h PHE 5 Cb 0.93 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 3h1x h PHE 5 CO 0.09 0.57 0.39 0.78 -2.23 0.00 0.00 178.31 177.91 3h1x h GLY 6 N 1.01 1.07 1.07 2.40 0.00 -0.45 -0.26 103.07 107.91 3h1x h GLY 6 Ca 0.31 -0.47 -0.13 0.00 0.00 0.00 0.00 47.33 47.04 3h1x h GLY 6 CO -0.10 0.45 -0.26 1.70 0.00 0.00 0.00 176.54 178.33 3h1x h LYS 7 N 1.00 0.89 -0.73 4.80 3.64 -0.78 -1.33 116.57 124.07 3h1x h LYS 7 Ca 0.26 -0.42 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 3h1x h LYS 7 Cb 0.03 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 3h1x h LYS 7 CO -0.04 1.07 0.39 1.98 -2.27 0.00 0.00 179.45 180.58 3h1x h MET 8 N 0.71 1.02 -0.15 1.90 4.05 -0.59 0.57 114.93 122.44 3h1x h MET 8 Ca 0.08 -0.13 -0.00 0.00 -0.28 0.00 0.00 59.70 59.38 3h1x h MET 8 Cb 0.84 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.43 3h1x h MET 8 CO 0.07 0.77 0.09 0.82 0.23 0.00 0.00 176.91 178.89 3h1x h ILE 9 N 1.00 1.08 -0.28 1.77 2.04 -0.87 -0.97 117.51 121.28 3h1x h ILE 9 Ca 0.25 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 3h1x h ILE 9 Cb 0.05 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3h1x h ILE 9 CO -0.04 0.07 0.15 0.25 0.00 0.00 0.00 178.15 178.59 3h1x h LEU 10 N 0.17 0.35 -0.88 1.44 5.85 -0.94 0.15 115.31 121.45 3h1x h LEU 10 Ca 0.05 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.79 3h1x h LEU 10 Cb 0.04 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 40.91 3h1x h LEU 10 CO -0.01 0.33 0.52 -0.33 -0.34 0.00 0.00 178.44 178.61 3h1x h GLU 11 N 0.34 0.83 -0.03 1.25 5.08 -0.73 0.16 114.58 121.49 3h1x h GLU 11 Ca 0.10 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 3h1x h GLU 11 Cb 0.06 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.13 3h1x h GLU 11 CO -0.02 0.55 -0.34 0.93 -1.00 0.00 0.00 179.01 179.13 3h1x h GLU 12 N 0.85 0.28 0.00 2.33 4.39 -0.78 -3.40 114.58 118.24 3h1x h GLU 12 Ca 0.43 -0.26 -0.11 0.00 0.34 0.00 0.00 59.36 59.75 3h1x h GLU 12 Cb 0.40 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 3h1x h GLU 12 CO -0.25 0.95 -1.85 0.25 -1.16 0.00 0.00 179.01 176.95 3h1x n THR 13 N -4.43 0.43 -0.97 1.13 -2.24 0.01 -4.88 114.28 103.33 3h1x n THR 13 Ca -0.09 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3h1x n THR 13 Cb 0.53 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 3h1x n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h1x n GLY 14 N 1.81 0.69 3.81 3.38 0.00 0.56 -5.03 105.19 110.41 3h1x n GLY 14 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 3h1x n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1x s LYS 16 N -0.03 3.31 0.14 1.61 1.02 -1.26 -5.03 119.74 119.50 3h1x s LYS 16 Ca 0.00 -0.23 -0.31 0.00 0.02 0.00 0.00 55.97 55.46 3h1x s LYS 16 Cb 0.00 -3.06 -0.08 0.00 -0.52 0.00 0.00 37.83 34.17 3h1x s LYS 16 CO 0.00 0.74 1.35 -0.51 -0.92 0.00 0.00 175.35 176.01 3h1x s LEU 17 N -0.94 4.39 0.18 3.17 1.43 -1.26 -3.57 118.68 122.08 3h1x s LEU 17 Ca 0.14 2.34 -0.13 0.00 -1.03 0.00 0.00 54.13 55.45 3h1x s LEU 17 Cb -0.12 -3.60 0.15 0.00 0.03 0.00 0.00 46.19 42.66 3h1x s LEU 17 CO 0.03 -0.60 1.76 0.00 0.23 0.00 0.00 176.35 177.77 3h1x h ALA 18 N 6.25 0.60 -2.85 4.21 0.00 -1.93 -1.65 119.26 123.89 3h1x h ALA 18 Ca -0.43 0.05 -0.66 0.00 0.00 0.00 0.00 54.91 53.86 3h1x h ALA 18 Cb 1.21 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.80 3h1x h ALA 18 CO 0.83 -0.18 -0.54 0.42 0.00 0.00 0.00 179.25 179.77 3h1x s ILE 19 N -6.13 4.84 -2.20 0.00 1.01 -1.26 -0.19 121.20 117.26 3h1x s ILE 19 Ca -0.13 -0.23 0.20 0.00 0.00 0.00 0.00 60.65 60.49 3h1x s ILE 19 Cb 0.14 -3.41 0.34 0.00 0.01 0.00 0.00 42.46 39.54 3h1x s ILE 19 CO 0.73 0.12 1.30 -0.81 0.00 0.00 0.00 174.94 176.28 3h1x n PRO 20 N 5.01 2.27 0.17 2.79 -0.04 -1.24 -4.98 135.00 138.98 3h1x n PRO 20 Ca -0.14 -2.08 0.03 0.00 -0.04 0.00 0.00 63.50 61.27 3h1x n PRO 20 Cb 0.50 -1.44 0.29 0.00 -0.04 0.00 0.00 33.50 32.81 3h1x n PRO 20 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3h1x h SER 21 N 3.93 0.00 0.00 3.54 0.02 -1.11 -3.33 113.55 116.59 3h1x h SER 21 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3h1x h SER 21 Cb 0.89 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.43 3h1x h SER 21 CO 0.00 0.45 0.00 -1.22 -1.14 0.00 0.00 176.83 174.92 3h1x n TYR 22 N -3.70 0.00 0.14 3.45 4.01 0.73 -4.69 117.16 117.09 3h1x n TYR 22 Ca -0.01 -0.21 0.12 0.00 -0.16 0.00 0.00 57.90 57.63 3h1x n TYR 22 Cb 0.52 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 3h1x n TYR 22 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3h1x n SER 23 N -0.21 0.82 -1.70 7.72 3.41 -0.78 -3.89 113.62 118.99 3h1x n SER 23 Ca 0.00 0.30 0.03 0.00 -0.26 0.00 0.00 58.87 58.94 3h1x n SER 23 Cb 0.28 0.47 0.02 0.00 -0.26 0.00 0.00 64.21 64.72 3h1x n SER 23 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3h1x n SER 24 N -2.63 1.04 -4.70 4.04 3.41 -1.19 -3.81 113.62 109.78 3h1x n SER 24 Ca 0.00 -2.00 -0.39 0.00 -0.26 0.00 0.00 58.87 56.22 3h1x n SER 24 Cb 0.54 -0.31 -0.06 0.00 -0.26 0.00 0.00 64.21 64.12 3h1x n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3h1x s TYR 25 N -0.59 3.46 0.00 7.33 6.14 -1.06 -1.04 117.35 131.58 3h1x s TYR 25 Ca 0.32 0.86 0.00 0.00 0.64 0.00 0.00 57.07 58.89 3h1x s TYR 25 Cb 0.37 -2.62 0.00 0.00 0.42 0.00 0.00 41.96 40.14 3h1x s TYR 25 CO -0.15 0.05 0.00 0.41 0.64 0.00 0.00 175.55 176.50 3h1x n GLY 26 N 3.52 1.01 0.10 8.97 0.00 0.09 -1.92 105.19 116.96 3h1x n GLY 26 Ca -0.06 -0.63 0.12 0.00 0.00 0.00 0.00 46.02 45.45 3h1x n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1x n TYR 28 N -2.48 0.00 -2.74 0.00 4.01 -1.25 -3.91 117.16 110.79 3h1x n TYR 28 Ca 0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.33 3h1x n TYR 28 Cb 0.51 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.51 3h1x n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3h1x n GLY 30 N 4.51 0.97 0.35 0.00 0.00 -1.25 -2.57 105.19 107.20 3h1x n GLY 30 Ca 0.09 -1.27 0.17 0.00 0.00 0.00 0.00 46.02 45.01 3h1x n GLY 30 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3h1x h TRP 31 N 0.00 0.00 -0.37 1.61 7.01 -1.82 -3.47 115.95 118.91 3h1x h TRP 31 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 3h1x h TRP 31 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.06 3h1x h TRP 31 CO 0.00 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.06 3h1x n GLY 32 N -1.28 0.23 0.00 2.65 0.00 -1.25 -5.01 105.19 100.52 3h1x n GLY 32 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3h1x n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1x n GLY 33 N 0.00 3.12 3.59 -0.02 0.00 -1.25 -4.89 105.19 105.74 3h1x n GLY 33 Ca 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 3h1x n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1x s LYS 34 N 0.00 1.48 0.00 1.61 1.02 -1.26 -5.00 119.74 117.59 3h1x s LYS 34 Ca 0.00 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.11 3h1x s LYS 34 Cb 0.00 0.55 0.00 0.00 -0.52 0.00 0.00 37.83 37.86 3h1x s LYS 34 CO 0.00 -0.64 0.00 0.41 -0.92 0.00 0.00 175.35 174.20 3h1x n GLY 35 N -0.38 0.63 3.68 -3.33 0.00 -0.04 -4.42 105.19 101.33 3h1x n GLY 35 Ca -0.09 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 3h1x n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h1x s THR 36 N -1.93 4.90 0.40 2.61 2.01 -1.26 -4.73 115.64 117.64 3h1x s THR 36 Ca 0.00 1.64 -0.25 0.00 0.31 0.00 0.00 61.69 63.39 3h1x s THR 36 Cb 0.00 -4.14 -0.11 0.00 0.01 0.00 0.00 72.50 68.26 3h1x s THR 36 CO 0.00 0.06 1.08 -2.65 -0.69 0.00 0.00 174.62 172.43 3h1x n PRO 37 N 4.95 1.52 0.14 4.92 -0.02 -1.26 -4.85 135.00 140.40 3h1x n PRO 37 Ca 0.04 0.54 0.01 0.00 -2.02 0.00 0.00 63.50 62.07 3h1x n PRO 37 Cb 0.49 -2.11 0.11 0.00 -0.02 0.00 0.00 33.50 31.97 3h1x n PRO 37 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3h1x h LYS 38 N 1.77 0.00 -2.57 -0.52 1.79 -1.95 -3.47 116.57 111.63 3h1x h LYS 38 Ca -0.45 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.18 3h1x h LYS 38 Cb 1.33 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.95 3h1x h LYS 38 CO 0.58 0.58 0.59 0.16 -1.08 0.00 0.00 179.45 180.28 3h1x s ASP 39 N -6.55 0.01 0.20 0.86 -4.77 -1.26 -5.01 116.67 100.16 3h1x s ASP 39 Ca 0.02 -0.70 -0.10 0.00 -3.30 0.00 0.00 52.55 48.46 3h1x s ASP 39 Cb 0.10 0.51 0.26 0.00 -1.09 0.00 0.00 42.92 42.70 3h1x s ASP 39 CO 0.74 -1.01 1.74 0.00 0.70 0.00 0.00 175.17 177.34 3h1x h ALA 40 N 2.00 0.75 -0.65 2.11 0.00 -1.93 -0.11 119.26 121.43 3h1x h ALA 40 Ca -0.28 0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.76 3h1x h ALA 40 Cb 1.22 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 3h1x h ALA 40 CO 0.37 -0.21 0.38 1.15 0.00 0.00 0.00 179.25 180.94 3h1x h THR 41 N 0.38 1.03 -0.46 0.00 2.02 -1.91 -0.42 112.91 113.55 3h1x h THR 41 Ca 0.30 -0.25 -0.07 0.00 0.77 0.00 0.00 66.41 67.16 3h1x h THR 41 Cb 0.37 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 3h1x h THR 41 CO -0.31 0.13 0.01 -0.78 0.37 0.00 0.00 175.52 174.95 3h1x h ASP 42 N 0.73 0.71 -0.39 4.18 3.58 -1.69 -1.61 116.42 121.92 3h1x h ASP 42 Ca 0.27 -0.16 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 3h1x h ASP 42 Cb 0.10 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 3h1x h ASP 42 CO -0.14 0.77 0.10 0.03 -2.88 0.00 0.00 179.24 177.12 3h1x h ARG 43 N 0.70 0.70 -0.71 0.28 3.08 -0.26 0.27 114.38 118.44 3h1x h ARG 43 Ca 0.14 -0.13 0.10 0.00 0.07 0.00 0.00 59.98 60.16 3h1x h ARG 43 Cb 0.42 -0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.28 3h1x h ARG 43 CO 0.02 0.64 0.33 0.00 -1.07 0.00 0.00 179.97 179.89 3h1x h PHE 46 N 0.71 -0.09 -0.80 0.00 3.57 -0.56 -0.14 116.94 119.63 3h1x h PHE 46 Ca 0.06 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3h1x h PHE 46 Cb 0.94 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 3h1x h PHE 46 CO 0.06 -0.06 0.39 0.28 -2.23 0.00 0.00 178.31 176.75 3h1x h VAL 47 N -0.04 1.25 -0.76 1.41 2.07 -1.14 -0.91 116.25 118.13 3h1x h VAL 47 Ca 0.04 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 3h1x h VAL 47 Cb 0.09 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 3h1x h VAL 47 CO -0.08 0.29 0.25 -0.74 0.02 0.00 0.00 177.57 177.31 3h1x h HIS 48 N 1.14 1.21 -0.51 1.57 -0.00 -0.89 0.29 115.15 117.95 3h1x h HIS 48 Ca 0.28 -0.12 -0.00 0.00 -0.00 0.00 0.00 60.37 60.53 3h1x h HIS 48 Cb 0.10 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 27.13 3h1x h HIS 48 CO 0.01 0.94 0.32 -0.44 -0.00 0.00 0.00 177.93 178.76 3h1x h ASP 49 N 1.12 0.61 -0.58 3.26 5.19 -0.59 -0.90 116.42 124.53 3h1x h ASP 49 Ca 0.25 -0.05 -0.06 0.00 -0.62 0.00 0.00 57.03 56.55 3h1x h ASP 49 Cb 0.29 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.63 3h1x h ASP 49 CO -0.01 0.47 0.13 0.00 -3.12 0.00 0.00 179.24 176.71 3h1x h TYR 52 N 0.32 1.11 0.00 0.00 -1.99 -1.01 -1.88 116.97 113.51 3h1x h TYR 52 Ca 0.09 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.79 3h1x h TYR 52 Cb -0.01 -0.35 -0.00 0.00 2.00 0.00 0.00 36.73 38.36 3h1x h TYR 52 CO -0.05 0.77 -0.03 0.78 -0.00 0.00 0.00 178.16 179.62 3h1x h GLY 53 N 1.16 0.00 2.00 3.88 0.00 -0.30 -0.53 103.07 109.28 3h1x h GLY 53 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 3h1x h GLY 53 CO -0.05 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.19 3h1x n ASN 54 N -3.23 0.00 -3.03 0.19 5.03 -0.51 -4.08 115.26 109.63 3h1x n ASN 54 Ca -0.01 0.50 -0.25 0.00 0.87 0.00 0.00 54.58 55.69 3h1x n ASN 54 Cb 0.19 -0.50 -0.04 0.00 -1.02 0.00 0.00 39.78 38.41 3h1x n ASN 54 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3h1x n LEU 55 N -1.50 3.50 0.22 3.41 4.77 -0.21 -4.93 117.00 122.27 3h1x n LEU 55 Ca 0.04 -5.50 0.16 0.00 -0.03 0.00 0.00 56.01 50.68 3h1x n LEU 55 Cb 0.18 -0.23 0.72 0.00 -2.33 0.00 0.00 43.42 41.76 3h1x n LEU 55 CO 0.14 2.33 0.96 1.55 -1.33 0.00 0.00 177.39 181.04 3h1x h PRO 56 N 3.05 0.00 -0.32 3.23 0.13 -1.73 -1.48 132.00 134.88 3h1x h PRO 56 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3h1x h PRO 56 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 3h1x h PRO 56 CO 0.74 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.26 3h1x n ASP 59 N -2.67 3.87 -4.81 1.44 8.00 -1.26 -4.95 116.55 116.17 3h1x n ASP 59 Ca -0.00 -2.78 -0.22 0.00 0.71 0.00 0.00 54.79 52.50 3h1x n ASP 59 Cb 0.18 -0.49 -0.05 0.00 -0.02 0.00 0.00 41.12 40.75 3h1x n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h1x n ASN 67 N -1.31 1.49 0.29 0.00 3.02 -1.26 -5.00 115.26 112.50 3h1x n ASN 67 Ca -0.02 -2.88 0.16 0.00 -0.03 0.00 0.00 54.58 51.81 3h1x n ASN 67 Cb 0.61 -0.66 0.86 0.00 -0.61 0.00 0.00 39.78 39.98 3h1x n ASN 67 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3h1x h PRO 68 N 5.09 0.00 -0.26 3.52 0.11 -1.92 -1.26 132.00 137.28 3h1x h PRO 68 Ca 0.19 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.18 3h1x h PRO 68 Cb 0.81 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 3h1x h PRO 68 CO 0.58 0.06 -0.33 0.87 -0.21 0.00 0.00 178.00 178.97 3h1x h LYS 69 N 0.00 0.56 0.00 1.05 1.79 -1.94 -3.17 116.57 114.86 3h1x h LYS 69 Ca -0.00 -0.25 -0.15 0.00 -2.18 0.00 0.00 60.65 58.07 3h1x h LYS 69 Cb 0.23 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.84 3h1x h LYS 69 CO 0.01 0.82 -1.67 -1.13 -1.08 0.00 0.00 179.45 176.39 3h1x n SER 70 N -4.07 2.42 -4.67 0.86 3.41 -1.04 -0.96 113.62 109.57 3h1x n SER 70 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.17 3h1x n SER 70 Cb 0.47 0.93 -0.02 0.00 -0.26 0.00 0.00 64.21 65.32 3h1x n SER 70 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h1x s ASP 71 N -4.07 6.94 0.08 4.04 -1.08 -0.50 -4.64 116.67 117.43 3h1x s ASP 71 Ca -0.05 1.82 -0.20 0.00 -0.52 0.00 0.00 52.55 53.60 3h1x s ASP 71 Cb 0.04 -2.55 -0.07 0.00 -1.46 0.00 0.00 42.92 38.89 3h1x s ASP 71 CO 0.44 -0.72 0.58 -0.13 0.52 0.00 0.00 175.17 175.86 3h1x s ARG 72 N 3.09 4.23 0.38 4.34 0.52 -1.26 -0.03 118.95 130.22 3h1x s ARG 72 Ca 0.58 0.77 0.07 0.00 -0.52 0.00 0.00 55.73 56.63 3h1x s ARG 72 Cb -0.25 -3.24 -0.07 0.00 0.52 0.00 0.00 34.95 31.91 3h1x s ARG 72 CO 0.19 0.63 -0.02 1.52 0.02 0.00 0.00 175.30 177.64 3h1x s TYR 73 N -1.09 2.42 -0.03 -0.53 -0.85 -1.26 -4.88 117.35 111.13 3h1x s TYR 73 Ca 0.29 -0.65 0.05 0.00 -0.52 0.00 0.00 57.07 56.25 3h1x s TYR 73 Cb -0.20 -1.60 -0.03 0.00 0.38 0.00 0.00 41.96 40.52 3h1x s TYR 73 CO 0.19 0.44 -0.16 0.15 -1.52 0.00 0.00 175.55 174.65 3h1x s LYS 74 N -3.70 2.37 0.06 -3.49 -0.14 -1.26 -4.94 119.74 108.64 3h1x s LYS 74 Ca 0.34 -0.78 -0.05 0.00 -1.36 0.00 0.00 55.97 54.12 3h1x s LYS 74 Cb 0.08 -2.30 -0.02 0.00 -1.68 0.00 0.00 37.83 33.91 3h1x s LYS 74 CO 0.17 0.60 0.09 1.52 -0.76 0.00 0.00 175.35 176.97 3h1x s TYR 75 N -0.76 0.28 0.32 3.18 1.13 -1.26 -0.79 117.35 119.46 3h1x s TYR 75 Ca 0.12 -0.71 0.03 0.00 -1.41 0.00 0.00 57.07 55.10 3h1x s TYR 75 Cb -0.10 -0.19 -0.05 0.00 -1.10 0.00 0.00 41.96 40.51 3h1x s TYR 75 CO 0.01 -0.44 0.08 -1.59 -2.51 0.00 0.00 175.55 171.10 3h1x s LYS 76 N -3.53 1.65 -0.14 -3.49 -2.85 -0.25 -4.91 119.74 106.21 3h1x s LYS 76 Ca 0.03 -1.93 -0.02 0.00 -1.00 0.00 0.00 55.97 53.05 3h1x s LYS 76 Cb 0.04 -0.67 -0.02 0.00 -2.06 0.00 0.00 37.83 35.12 3h1x s LYS 76 CO -0.09 -0.27 -0.07 1.03 0.10 0.00 0.00 175.35 176.05 3h1x s ARG 77 N -3.89 3.53 -0.47 1.78 1.81 -1.26 -0.81 118.95 119.63 3h1x s ARG 77 Ca 0.35 -0.58 0.00 0.00 -1.72 0.00 0.00 55.73 53.78 3h1x s ARG 77 Cb 0.07 -2.80 0.12 0.00 -0.45 0.00 0.00 34.95 31.90 3h1x s ARG 77 CO 0.15 0.26 0.24 0.08 -0.68 0.00 0.00 175.30 175.34 3h1x s VAL 78 N 0.29 3.00 0.00 3.52 1.01 -0.10 -4.91 120.40 123.21 3h1x s VAL 78 Ca -0.06 -2.62 0.00 0.00 0.00 0.00 0.00 61.98 59.30 3h1x s VAL 78 Cb -0.15 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.17 3h1x s VAL 78 CO 0.04 -0.74 0.00 0.59 0.00 0.00 0.00 175.10 174.99 3h1x n ASN 79 N 3.92 0.00 0.00 3.32 5.03 -1.26 -0.69 115.26 125.58 3h1x n ASN 79 Ca 0.03 0.00 0.03 0.00 0.87 0.00 0.00 54.58 55.51 3h1x n ASN 79 Cb 0.39 0.00 0.13 0.00 -1.02 0.00 0.00 39.78 39.28 3h1x n ASN 79 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3h1x n GLY 80 N 0.00 -0.65 3.76 7.41 0.00 -1.26 -4.83 105.19 109.62 3h1x n GLY 80 Ca 0.00 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3h1x n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1x s ALA 81 N -2.90 3.42 -0.12 4.61 0.00 0.13 -4.98 121.76 121.92 3h1x s ALA 81 Ca 0.04 0.94 -0.25 0.00 0.00 0.00 0.00 51.96 52.68 3h1x s ALA 81 Cb 0.04 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 3h1x s ALA 81 CO 0.11 -0.22 0.82 0.42 0.00 0.00 0.00 175.76 176.88 3h1x s ILE 82 N -1.14 4.92 -0.26 0.00 1.01 -1.26 -0.92 121.20 123.55 3h1x s ILE 82 Ca 0.45 1.64 0.02 0.00 0.00 0.00 0.00 60.65 62.77 3h1x s ILE 82 Cb -0.33 -4.14 0.06 0.00 0.01 0.00 0.00 42.46 38.07 3h1x s ILE 82 CO 0.42 0.10 -0.08 -0.69 0.00 0.00 0.00 174.94 174.69 3h1x s VAL 83 N 1.66 1.98 0.06 2.92 1.01 0.01 -4.96 120.40 123.08 3h1x s VAL 83 Ca 0.40 -1.55 -0.31 0.00 0.00 0.00 0.00 61.98 60.52 3h1x s VAL 83 Cb -0.17 -2.15 -0.08 0.00 0.00 0.00 0.00 36.38 33.98 3h1x s VAL 83 CO 0.16 -0.08 1.56 0.00 0.00 0.00 0.00 175.10 176.74 3h1x s GLU 85 N 2.41 3.59 -0.05 0.00 2.02 0.03 -4.95 118.70 121.76 3h1x s GLU 85 Ca 0.70 0.14 -0.30 0.00 0.02 0.00 0.00 54.97 55.54 3h1x s GLU 85 Cb -0.37 -2.46 -0.04 0.00 0.10 0.00 0.00 34.13 31.35 3h1x s GLU 85 CO 0.30 -0.05 1.30 0.21 0.02 0.00 0.00 175.26 177.04 3h1x s LYS 86 N -4.31 4.30 0.00 1.61 2.20 -1.26 -4.62 119.74 117.66 3h1x s LYS 86 Ca 0.46 1.80 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 3h1x s LYS 86 Cb -0.10 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.61 3h1x s LYS 86 CO 0.38 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 3h1x n GLY 88 N 3.53 5.36 3.73 5.54 0.00 -1.26 -4.97 105.19 117.12 3h1x n GLY 88 Ca 0.12 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 3h1x n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h1x s THR 89 N 1.93 2.52 0.16 2.61 -4.23 -1.26 -4.81 115.64 112.56 3h1x s THR 89 Ca 0.00 0.17 -0.16 0.00 -1.18 0.00 0.00 61.69 60.52 3h1x s THR 89 Cb 0.00 -2.72 0.03 0.00 1.34 0.00 0.00 72.50 71.16 3h1x s THR 89 CO 0.00 -0.22 1.75 0.28 -0.54 0.00 0.00 174.62 175.89 3h1x h SER 90 N -1.56 0.16 -0.61 3.99 0.02 -2.01 -0.21 113.55 113.33 3h1x h SER 90 Ca -0.50 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 60.50 3h1x h SER 90 Cb 1.30 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.82 3h1x h SER 90 CO 0.57 0.13 0.38 0.00 -1.14 0.00 0.00 176.83 176.77 3h1x h GLU 92 N 0.77 0.74 -0.39 0.00 5.08 -1.71 0.10 114.58 119.18 3h1x h GLU 92 Ca 0.24 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3h1x h GLU 92 Cb -0.02 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3h1x h GLU 92 CO -0.08 0.69 0.20 -0.91 -1.00 0.00 0.00 179.01 177.91 3h1x h ASN 93 N 0.64 0.31 -0.31 1.42 2.35 -0.79 -0.32 115.58 118.88 3h1x h ASN 93 Ca 0.16 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 3h1x h ASN 93 Cb 0.24 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3h1x h ASN 93 CO -0.01 0.23 -0.23 0.03 -1.65 0.00 0.00 177.43 175.80 3h1x h ARG 94 N 0.42 0.71 -0.48 0.81 3.08 -0.99 -1.76 114.38 116.16 3h1x h ARG 94 Ca 0.16 -0.34 0.01 0.00 0.07 0.00 0.00 59.98 59.88 3h1x h ARG 94 Cb 0.05 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3h1x h ARG 94 CO -0.10 0.95 0.30 0.82 -1.07 0.00 0.00 179.97 180.87 3h1x h ILE 95 N 0.46 1.08 -0.39 2.04 2.04 -0.68 -1.63 117.51 120.43 3h1x h ILE 95 Ca 0.06 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.75 3h1x h ILE 95 Cb 0.78 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 3h1x h ILE 95 CO 0.06 0.11 0.17 0.00 0.00 0.00 0.00 178.15 178.49 3h1x h GLU 97 N 0.35 0.73 -0.48 0.00 4.39 -1.00 0.13 114.58 118.70 3h1x h GLU 97 Ca 0.17 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 3h1x h GLU 97 Cb 0.11 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 3h1x h GLU 97 CO -0.15 0.64 0.25 0.00 -1.16 0.00 0.00 179.01 178.59 3h1x h ASP 99 N 0.64 0.66 -0.26 0.00 5.19 -0.54 -2.21 116.42 119.90 3h1x h ASP 99 Ca 0.17 -0.53 0.06 0.00 -0.62 0.00 0.00 57.03 56.11 3h1x h ASP 99 Cb 0.09 -0.19 -0.06 0.00 0.18 0.00 0.00 39.33 39.35 3h1x h ASP 99 CO -0.02 1.07 -0.16 0.50 -3.12 0.00 0.00 179.24 177.50 3h1x h LYS 100 N 0.29 -0.13 -0.67 3.56 3.64 -0.76 -0.37 116.57 122.12 3h1x h LYS 100 Ca 0.02 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3h1x h LYS 100 Cb 0.93 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.74 3h1x h LYS 100 CO 0.08 -0.09 0.40 0.00 -2.27 0.00 0.00 179.45 177.57 3h1x h ALA 101 N 1.04 0.88 -0.51 5.00 0.00 -1.22 -1.08 119.26 123.36 3h1x h ALA 101 Ca 0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3h1x h ALA 101 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3h1x h ALA 101 CO -0.35 0.14 0.14 0.00 0.00 0.00 0.00 179.25 179.19 3h1x h ALA 102 N 1.30 0.68 -0.47 0.00 0.00 -0.86 0.13 119.26 120.04 3h1x h ALA 102 Ca 0.28 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3h1x h ALA 102 Cb 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3h1x h ALA 102 CO -0.13 0.35 0.12 0.00 0.00 0.00 0.00 179.25 179.60 3h1x h ALA 103 N 1.01 0.62 -0.66 0.00 0.00 -0.80 0.94 119.26 120.37 3h1x h ALA 103 Ca 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3h1x h ALA 103 Cb 0.31 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3h1x h ALA 103 CO -0.00 0.30 0.29 0.82 0.00 0.00 0.00 179.25 180.66 3h1x h ILE 104 N 0.63 1.23 -0.57 0.00 2.04 -1.04 -1.52 117.51 118.29 3h1x h ILE 104 Ca 0.15 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 3h1x h ILE 104 Cb 0.32 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 3h1x h ILE 104 CO 0.00 0.28 0.31 0.00 0.00 0.00 0.00 178.15 178.74 3h1x h PHE 106 N 0.77 0.53 -0.73 0.00 0.04 -0.62 -2.02 116.94 114.91 3h1x h PHE 106 Ca 0.20 0.01 0.02 0.00 2.80 0.00 0.00 57.97 61.00 3h1x h PHE 106 Cb 0.05 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 37.98 3h1x h PHE 106 CO -0.01 0.33 0.47 -0.09 -0.60 0.00 0.00 178.31 178.41 3h1x h ARG 107 N 0.58 0.92 0.00 1.51 9.65 -0.75 -1.98 114.38 124.31 3h1x h ARG 107 Ca 0.16 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 3h1x h ARG 107 Cb -0.05 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.32 3h1x h ARG 107 CO -0.04 0.61 0.00 0.37 2.80 0.00 0.00 179.97 183.71 3h1x h GLN 108 N 0.95 0.00 -0.07 0.20 4.15 -0.59 -3.16 115.11 116.59 3h1x h GLN 108 Ca 0.28 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.70 3h1x h GLN 108 Cb -0.06 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.63 3h1x h GLN 108 CO -0.08 0.00 0.00 0.09 -1.93 0.00 0.00 178.83 176.91 3h1x n ASN 109 N -2.90 2.38 0.20 -0.69 3.02 -0.80 -4.63 115.26 111.84 3h1x n ASN 109 Ca 0.00 -2.36 0.11 0.00 -0.03 0.00 0.00 54.58 52.31 3h1x n ASN 109 Cb 0.24 -0.19 0.66 0.00 -0.61 0.00 0.00 39.78 39.89 3h1x n ASN 109 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3h1x h LEU 110 N 0.46 0.00 -2.28 3.41 3.38 -1.34 -1.84 115.31 117.10 3h1x h LEU 110 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3h1x h LEU 110 Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3h1x h LEU 110 CO 0.02 0.00 0.14 -0.55 0.09 0.00 0.00 178.44 178.14 3h1x h ASN 111 N 0.00 0.00 -0.00 -0.43 7.08 -1.84 -2.64 115.58 117.74 3h1x h ASN 111 Ca 0.06 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.28 3h1x h ASN 111 Cb 0.25 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.49 3h1x h ASN 111 CO -0.00 0.00 0.00 0.35 -2.08 0.00 0.00 177.43 175.70 3h1x n THR 112 N -3.86 0.04 -1.63 6.14 -2.24 -0.73 -5.03 114.28 106.96 3h1x n THR 112 Ca 0.00 -0.52 -0.47 0.00 -2.27 0.00 0.00 64.05 60.79 3h1x n THR 112 Cb 0.25 1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 69.46 3h1x n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h1x n TYR 113 N 0.06 1.78 -4.17 4.78 4.19 -0.96 -4.95 117.16 117.89 3h1x n TYR 113 Ca 0.01 0.53 -0.24 0.00 3.31 0.00 0.00 57.90 61.50 3h1x n TYR 113 Cb 0.05 -2.39 -0.17 0.00 0.49 0.00 0.00 39.34 37.32 3h1x n TYR 113 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 3h1x s SER 114 N 0.27 1.76 0.63 2.98 0.15 -1.26 -5.02 113.70 113.21 3h1x s SER 114 Ca 0.73 -0.25 0.40 0.00 0.70 0.00 0.00 55.95 57.53 3h1x s SER 114 Cb -0.76 -0.73 2.12 0.00 -1.71 0.00 0.00 66.02 64.94 3h1x s SER 114 CO 0.49 -0.06 2.28 0.11 1.20 0.00 0.00 173.24 177.26 3h1x h LYS 115 N 7.59 0.00 0.00 5.44 1.57 -1.99 -2.17 116.57 127.01 3h1x h LYS 115 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3h1x h LYS 115 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3h1x h LYS 115 CO 0.43 0.01 0.00 1.57 -0.57 0.00 0.00 179.45 180.89 3h1x h LYS 116 N 0.00 0.00 -0.02 3.15 2.10 -2.01 -1.94 116.57 117.86 3h1x h LYS 116 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3h1x h LYS 116 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 3h1x h LYS 116 CO 0.00 0.00 -0.23 0.66 -2.00 0.00 0.00 179.45 177.88 3h1x n TYR 117 N -2.45 0.00 -2.22 0.07 4.01 -0.82 -4.81 117.16 110.94 3h1x n TYR 117 Ca -0.01 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.34 3h1x n TYR 117 Cb 0.11 -0.03 -0.02 0.00 -0.31 0.00 0.00 39.34 39.09 3h1x n TYR 117 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 3h1x s MET 118 N -2.30 4.12 -1.52 -0.72 -1.94 -0.73 -0.73 119.30 115.47 3h1x s MET 118 Ca 0.26 1.96 -0.03 0.00 -1.71 0.00 0.00 55.69 56.17 3h1x s MET 118 Cb 0.19 -2.79 0.01 0.00 2.01 0.00 0.00 34.83 34.26 3h1x s MET 118 CO 0.46 -0.30 0.29 1.28 -0.01 0.00 0.00 175.02 176.74 3h1x n LEU 119 N 0.27 -2.06 -4.73 -0.03 4.77 -0.21 -4.92 117.00 110.09 3h1x n LEU 119 Ca 0.03 -0.13 -0.42 0.00 -0.03 0.00 0.00 56.01 55.46 3h1x n LEU 119 Cb 0.45 -2.74 -0.03 0.00 -2.33 0.00 0.00 43.42 38.78 3h1x n LEU 119 CO 0.53 0.01 1.26 -0.47 -1.33 0.00 0.00 177.39 177.39 3h1x s TYR 120 N -3.01 2.94 0.23 -1.77 5.04 -1.11 -4.93 117.35 114.74 3h1x s TYR 120 Ca 0.16 0.64 -0.30 0.00 -2.44 0.00 0.00 57.07 55.14 3h1x s TYR 120 Cb -0.08 -4.00 -0.09 0.00 0.35 0.00 0.00 41.96 38.14 3h1x s TYR 120 CO 0.20 -3.60 1.18 -1.25 -1.34 0.00 0.00 175.55 170.74 3h1x s PRO 121 N 0.57 4.52 0.26 4.97 0.04 -1.26 -4.85 135.00 139.25 3h1x s PRO 121 Ca 0.68 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 63.60 3h1x s PRO 121 Cb -0.46 -3.20 0.55 0.00 0.04 0.00 0.00 34.50 31.43 3h1x s PRO 121 CO 0.37 -0.01 1.70 0.22 0.04 0.00 0.00 177.00 179.31 3h1x h ASP 122 N 4.61 0.16 0.35 6.66 3.58 -1.94 -2.30 116.42 127.54 3h1x h ASP 122 Ca -0.46 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.14 3h1x h ASP 122 Cb 1.21 0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.42 3h1x h ASP 122 CO 0.71 -0.00 0.00 2.19 -2.88 0.00 0.00 179.24 179.26 3h1x h PHE 124 N 0.34 0.00 -0.13 0.28 -0.00 -2.02 -0.08 116.94 115.34 3h1x h PHE 124 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.44 3h1x h PHE 124 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.76 3h1x h PHE 124 CO -0.21 0.00 0.00 1.28 -0.00 0.00 0.00 178.31 179.38 3h1x n LEU 125 N -2.84 1.10 -4.06 2.10 4.77 -0.87 -4.60 117.00 112.61 3h1x n LEU 125 Ca -0.01 -0.48 -0.33 0.00 -0.03 0.00 0.00 56.01 55.16 3h1x n LEU 125 Cb 0.14 -0.08 -0.14 0.00 -2.33 0.00 0.00 43.42 41.01 3h1x n LEU 125 CO 0.20 0.24 -0.27 0.00 -1.33 0.00 0.00 177.39 176.23 3h1x s LYS 127 N 0.99 1.09 0.00 0.00 -0.14 -1.26 -4.24 119.74 116.18 3h1x s LYS 127 Ca 0.10 -0.43 0.00 0.00 -1.36 0.00 0.00 55.97 54.27 3h1x s LYS 127 Cb -0.20 -1.03 0.00 0.00 -1.68 0.00 0.00 37.83 34.91 3h1x s LYS 127 CO -0.07 0.23 0.00 0.41 -0.76 0.00 0.00 175.35 175.17 3h1x n GLY 128 N 2.93 2.71 0.00 -3.33 0.00 -1.26 -3.46 105.19 102.78 3h1x n GLY 128 Ca -0.15 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.00 3h1x n GLY 128 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3h1x n GLU 129 N 0.65 0.00 -3.25 1.61 0.28 -1.26 -0.86 120.64 117.81 3h1x n GLU 129 Ca 0.00 0.13 -0.23 0.00 -0.16 0.00 0.00 57.16 56.90 3h1x n GLU 129 Cb 0.00 -0.39 0.02 0.00 1.43 0.00 0.00 31.44 32.50 3h1x n GLU 129 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3h1x n LEU 130 N -0.38 -2.73 -4.77 -1.84 7.94 -1.26 -4.72 117.00 109.23 3h1x n LEU 130 Ca 0.00 0.05 -0.40 0.00 -1.11 0.00 0.00 56.01 54.55 3h1x n LEU 130 Cb 0.00 -1.50 0.01 0.00 0.53 0.00 0.00 43.42 42.46 3h1x n LEU 130 CO 0.00 -0.52 1.03 -0.54 -1.11 0.00 0.00 177.39 176.26 3h1x s LYS 131 N -1.78 3.84 0.00 1.96 1.02 -1.26 -5.05 119.74 118.47 3h1x s LYS 131 Ca 0.22 2.33 0.06 0.00 0.02 0.00 0.00 55.97 58.60 3h1x s LYS 131 Cb -0.02 -2.73 0.38 0.00 -0.52 0.00 0.00 37.83 34.93 3h1x s LYS 131 CO 0.51 -0.66 0.84 0.00 -0.92 0.00 0.00 175.35 175.12