#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h4c h LEU 2 N 0.00 0.00 0.56 -4.53 3.38 -1.83 -2.10 115.31 110.79 2h4c h LEU 2 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2h4c h LEU 2 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 2h4c h LEU 2 CO 0.00 0.00 -0.27 -0.26 0.09 0.00 0.00 178.44 178.00 2h4c h PHE 3 N 0.00 -0.70 -0.55 1.13 -1.00 -1.99 -0.72 116.94 113.11 2h4c h PHE 3 Ca 0.00 -0.02 0.08 0.00 2.81 0.00 0.00 57.97 60.84 2h4c h PHE 3 Cb 0.11 0.23 -0.03 0.00 3.61 0.00 0.00 35.95 39.87 2h4c h PHE 3 CO 0.00 -0.38 0.37 1.96 -1.61 0.00 0.00 178.31 178.65 2h4c h GLN 4 N -0.90 0.42 -0.22 1.51 4.20 -1.81 0.17 115.11 118.47 2h4c h GLN 4 Ca -0.08 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.51 2h4c h GLN 4 Cb 0.63 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2h4c h GLN 4 CO 0.13 0.28 -0.29 0.35 -0.67 0.00 0.00 178.83 178.62 2h4c h PHE 5 N 0.43 0.50 -0.44 2.96 3.57 -1.03 0.15 116.94 123.08 2h4c h PHE 5 Ca 0.25 -0.11 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 2h4c h PHE 5 Cb 0.41 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2h4c h PHE 5 CO -0.00 0.70 0.05 0.00 -2.23 0.00 0.00 178.31 176.83 2h4c h ALA 6 N 1.30 0.59 0.20 2.41 0.00 0.52 -2.48 119.26 121.80 2h4c h ALA 6 Ca 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2h4c h ALA 6 Cb 0.71 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2h4c h ALA 6 CO 0.05 0.33 -0.10 0.00 0.00 0.00 0.00 179.25 179.54 2h4c h ARG 7 N 0.60 -0.26 -0.35 0.00 2.47 -0.48 -3.06 114.38 113.30 2h4c h ARG 7 Ca 0.13 0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 58.80 2h4c h ARG 7 Cb 0.41 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.77 2h4c h ARG 7 CO 0.01 -0.13 -0.09 -0.07 0.56 0.00 0.00 179.97 180.25 2h4c h LEU 8 N -0.32 0.58 -0.72 3.04 3.38 -0.76 -2.90 115.31 117.61 2h4c h LEU 8 Ca -0.03 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.83 2h4c h LEU 8 Cb 0.24 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2h4c h LEU 8 CO 0.04 0.71 0.44 0.40 0.09 0.00 0.00 178.44 180.13 2h4c h ILE 9 N 0.55 1.07 -0.19 1.22 2.04 -1.42 -2.81 117.51 117.98 2h4c h ILE 9 Ca 0.10 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 2h4c h ILE 9 Cb 0.49 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2h4c h ILE 9 CO 0.03 0.16 -0.01 0.44 0.00 0.00 0.00 178.15 178.76 2h4c h ASP 10 N 0.86 0.25 -0.80 1.72 5.19 -1.41 -3.29 116.42 118.94 2h4c h ASP 10 Ca 0.30 -0.03 0.18 0.00 -0.62 0.00 0.00 57.03 56.86 2h4c h ASP 10 Cb 0.06 -0.06 -0.12 0.00 0.18 0.00 0.00 39.33 39.39 2h4c h ASP 10 CO -0.13 0.31 0.24 0.00 -3.12 0.00 0.00 179.24 176.54 2h4c h ALA 11 N 1.73 1.11 0.08 3.45 0.00 -1.44 -2.27 119.26 121.92 2h4c h ALA 11 Ca 0.06 0.17 -0.30 0.00 0.00 0.00 0.00 54.91 54.85 2h4c h ALA 11 Cb 0.21 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2h4c h ALA 11 CO 0.01 -0.35 -1.60 -0.22 0.00 0.00 0.00 179.25 177.09 2h4c h LYS 12 N 0.30 0.16 0.00 0.00 1.63 -1.76 -3.47 116.57 113.43 2h4c h LYS 12 Ca 0.47 -0.27 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 2h4c h LYS 12 Cb 0.84 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 2h4c h LYS 12 CO -0.53 0.95 0.00 1.04 -3.45 0.00 0.00 179.45 177.46 2h4c n GLN 13 N -3.34 3.43 -3.51 1.90 6.02 -0.85 -5.06 117.38 115.97 2h4c n GLN 13 Ca -0.17 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.62 2h4c n GLN 13 Cb 1.04 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 32.28 2h4c n GLN 13 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2h4c s GLU 14 N 2.78 2.86 0.18 -1.09 2.02 -1.22 -4.85 118.70 119.38 2h4c s GLU 14 Ca 0.00 -1.21 -0.32 0.00 0.02 0.00 0.00 54.97 53.46 2h4c s GLU 14 Cb 0.00 -2.64 -0.11 0.00 0.10 0.00 0.00 34.13 31.48 2h4c s GLU 14 CO 0.00 -0.02 1.62 0.00 0.02 0.00 0.00 175.26 176.88 2h4c s ALA 16 N -2.29 3.83 -0.03 5.21 0.00 -1.26 -1.29 121.76 125.93 2h4c s ALA 16 Ca 0.46 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.86 2h4c s ALA 16 Cb -0.08 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2h4c s ALA 16 CO 0.30 -0.83 0.00 1.19 0.00 0.00 0.00 175.76 176.42 2h4c n PHE 17 N 3.96 0.00 -1.02 0.00 3.01 -1.26 -4.90 117.46 117.24 2h4c n PHE 17 Ca 0.14 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.31 2h4c n PHE 17 Cb 0.37 -0.32 -0.03 0.00 -0.01 0.00 0.00 39.48 39.49 2h4c n PHE 17 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2h4c n SER 18 N 0.07 6.79 0.00 4.37 7.64 -0.41 -3.24 113.62 128.85 2h4c n SER 18 Ca -0.00 -2.44 0.00 0.00 1.01 0.00 0.00 58.87 57.44 2h4c n SER 18 Cb 0.07 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 61.94 2h4c n SER 18 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2h4c n PHE 19 N 3.83 0.00 0.30 1.43 -1.74 -1.26 -4.58 117.46 115.43 2h4c n PHE 19 Ca 0.61 0.00 0.19 0.00 -0.56 0.00 0.00 57.45 57.69 2h4c n PHE 19 Cb 0.20 0.00 1.02 0.00 1.52 0.00 0.00 39.48 42.22 2h4c n PHE 19 CO 0.00 0.00 0.00 0.74 -0.56 0.00 0.00 176.76 176.94 2h4c h PHE 20 N 0.00 0.00 -0.13 2.97 0.05 -1.99 -0.77 116.94 117.07 2h4c h PHE 20 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 2h4c h PHE 20 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.95 2h4c h PHE 20 CO 0.00 0.00 0.00 0.36 -0.18 0.00 0.00 178.31 178.49 2h4c n LYS 21 N -3.35 1.52 0.00 1.51 2.85 -1.26 -3.01 118.16 116.43 2h4c n LYS 21 Ca -0.02 -0.56 0.00 0.00 -1.05 0.00 0.00 58.31 56.68 2h4c n LYS 21 Cb 0.18 -1.34 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 2h4c n LYS 21 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2h4c n TYR 22 N 0.01 0.00 0.24 5.58 4.02 -0.30 -4.52 117.16 122.19 2h4c n TYR 22 Ca 0.05 -0.08 0.07 0.00 -0.01 0.00 0.00 57.90 57.93 2h4c n TYR 22 Cb 0.26 -0.01 0.57 0.00 -0.02 0.00 0.00 39.34 40.14 2h4c n TYR 22 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 2h4c h ILE 23 N 0.93 1.00 -0.76 -0.72 1.08 -1.58 -2.49 117.51 114.97 2h4c h ILE 23 Ca 0.00 -0.50 -0.01 0.00 -0.39 0.00 0.00 64.86 63.96 2h4c h ILE 23 Cb 0.45 1.28 -0.18 0.00 -3.07 0.00 0.00 36.82 35.29 2h4c h ILE 23 CO 0.00 0.14 -0.35 -0.55 -0.69 0.00 0.00 178.15 176.70 2h4c s SER 24 N -6.85 -1.17 -0.19 1.72 0.15 -1.20 -2.29 113.70 103.86 2h4c s SER 24 Ca -0.04 -0.63 -0.04 0.00 0.70 0.00 0.00 55.95 55.94 2h4c s SER 24 Cb 0.16 1.50 0.06 0.00 -1.71 0.00 0.00 66.02 66.03 2h4c s SER 24 CO 0.67 -0.13 0.08 -0.47 1.20 0.00 0.00 173.24 174.59 2h4c s TYR 25 N 1.84 0.49 0.00 3.44 6.14 0.26 -0.55 117.35 128.97 2h4c s TYR 25 Ca 0.16 -0.54 0.00 0.00 0.64 0.00 0.00 57.07 57.33 2h4c s TYR 25 Cb -0.02 -0.83 0.00 0.00 0.42 0.00 0.00 41.96 41.54 2h4c s TYR 25 CO -0.09 -0.57 0.00 0.41 0.64 0.00 0.00 175.55 175.94 2h4c n GLY 26 N 5.20 0.33 0.05 8.97 0.00 0.95 -2.18 105.19 118.51 2h4c n GLY 26 Ca -0.07 -0.89 0.06 0.00 0.00 0.00 0.00 46.02 45.11 2h4c n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h4c n TYR 28 N -2.45 0.00 -1.55 0.00 4.02 -1.25 0.29 117.16 116.21 2h4c n TYR 28 Ca -0.10 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.41 2h4c n TYR 28 Cb 0.71 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.98 2h4c n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2h4c n GLY 30 N 6.04 0.56 3.51 0.00 0.00 -0.94 -0.57 105.19 113.79 2h4c n GLY 30 Ca 0.38 -0.88 -0.54 0.00 0.00 0.00 0.00 46.02 44.99 2h4c n GLY 30 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2h4c n TRP 31 N 7.32 1.72 0.00 1.61 7.02 -0.97 -4.55 117.44 129.58 2h4c n TRP 31 Ca 0.00 0.39 0.00 0.00 -1.02 0.00 0.00 57.50 56.87 2h4c n TRP 31 Cb 0.00 -2.49 0.00 0.00 -2.42 0.00 0.00 31.31 26.40 2h4c n TRP 31 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2h4c n GLY 32 N 5.89 -0.63 0.00 6.99 0.00 -1.26 -4.62 105.19 111.56 2h4c n GLY 32 Ca 0.38 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2h4c n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h4c n GLY 33 N 0.00 1.23 3.79 -0.02 0.00 0.84 -4.94 105.19 106.10 2h4c n GLY 33 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2h4c n GLY 33 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2h4c s GLN 34 N -0.04 1.20 -1.53 1.61 -2.07 -0.96 -5.02 119.66 112.85 2h4c s GLN 34 Ca 0.00 -0.71 0.00 0.00 -1.82 0.00 0.00 55.36 52.83 2h4c s GLN 34 Cb 0.00 0.38 0.00 0.00 -1.09 0.00 0.00 33.01 32.30 2h4c s GLN 34 CO 0.00 -0.55 0.00 0.41 -1.32 0.00 0.00 175.29 173.83 2h4c n GLY 35 N -0.55 0.94 1.66 2.60 0.00 -0.98 -4.64 105.19 104.22 2h4c n GLY 35 Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2h4c n GLY 35 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2h4c n THR 36 N -3.05 -3.92 -0.72 2.61 -2.24 -1.26 -4.42 114.28 101.27 2h4c n THR 36 Ca -0.16 1.88 -0.20 0.00 -2.27 0.00 0.00 64.05 63.30 2h4c n THR 36 Cb 0.55 -2.88 0.08 0.00 -2.10 0.00 0.00 70.33 65.99 2h4c n THR 36 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2h4c n PRO 37 N -2.05 -1.00 0.00 -0.78 -0.02 -1.26 -4.82 135.00 125.06 2h4c n PRO 37 Ca 0.00 -0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.19 2h4c n PRO 37 Cb 0.33 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 2h4c n PRO 37 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2h4c n LYS 38 N 0.28 4.04 0.00 -0.52 4.76 -1.26 -4.97 118.16 120.48 2h4c n LYS 38 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2h4c n LYS 38 Cb 0.38 -0.37 0.00 0.00 -1.84 0.00 0.00 35.03 33.20 2h4c n LYS 38 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2h4c n ASP 39 N -0.65 0.00 -0.31 4.39 5.68 -1.26 -5.00 116.55 119.40 2h4c n ASP 39 Ca 0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.20 2h4c n ASP 39 Cb 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 2h4c n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2h4c h ALA 40 N 0.00 -0.38 -0.59 2.12 0.00 -1.96 -0.86 119.26 117.60 2h4c h ALA 40 Ca 0.00 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2h4c h ALA 40 Cb 0.00 1.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 2h4c h ALA 40 CO 0.00 -0.87 -0.50 1.15 0.00 0.00 0.00 179.25 179.02 2h4c h THR 41 N -0.12 0.00 -0.66 0.00 2.02 -1.94 -1.18 112.91 111.02 2h4c h THR 41 Ca 0.19 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.51 2h4c h THR 41 Cb 0.52 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.82 2h4c h THR 41 CO -0.83 0.00 -0.01 -0.78 0.37 0.00 0.00 175.52 174.27 2h4c h ASP 42 N -0.20 -0.32 -0.90 4.18 3.58 -1.52 -1.06 116.42 120.19 2h4c h ASP 42 Ca 0.10 0.17 0.10 0.00 0.42 0.00 0.00 57.03 57.81 2h4c h ASP 42 Cb 0.45 0.30 -0.07 0.00 1.72 0.00 0.00 39.33 41.73 2h4c h ASP 42 CO -0.66 -0.14 0.54 0.03 -2.88 0.00 0.00 179.24 176.13 2h4c h ARG 43 N 0.11 0.88 -0.79 0.28 3.08 -0.50 0.29 114.38 117.72 2h4c h ARG 43 Ca 0.35 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.44 2h4c h ARG 43 Cb 0.58 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 2h4c h ARG 43 CO -0.58 0.58 0.52 0.00 -1.07 0.00 0.00 179.97 179.42 2h4c h PHE 46 N 0.00 0.00 -0.80 0.00 3.57 0.33 -2.92 116.94 117.13 2h4c h PHE 46 Ca 0.00 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.65 2h4c h PHE 46 Cb 0.56 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.25 2h4c h PHE 46 CO 0.00 0.52 0.53 0.28 -2.23 0.00 0.00 178.31 177.41 2h4c h VAL 47 N -1.00 0.79 -0.22 1.41 2.07 0.22 0.78 116.25 120.31 2h4c h VAL 47 Ca -0.10 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 2h4c h VAL 47 Cb 0.69 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2h4c h VAL 47 CO -0.06 0.09 -0.13 -0.74 0.02 0.00 0.00 177.57 176.74 2h4c h HIS 48 N 0.47 0.55 0.70 1.57 -0.00 -0.85 -1.54 115.15 116.05 2h4c h HIS 48 Ca 0.40 -0.15 -0.03 0.00 -0.00 0.00 0.00 60.37 60.59 2h4c h HIS 48 Cb 0.85 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.14 2h4c h HIS 48 CO -0.00 0.77 -0.40 -0.44 -0.00 0.00 0.00 177.93 177.86 2h4c h ASP 49 N 0.17 -0.99 0.00 3.26 5.19 -0.34 -1.59 116.42 122.12 2h4c h ASP 49 Ca 0.04 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 2h4c h ASP 49 Cb 0.65 0.28 0.00 0.00 0.18 0.00 0.00 39.33 40.43 2h4c h ASP 49 CO 0.04 -0.63 0.00 0.00 -3.12 0.00 0.00 179.24 175.53 2h4c h TYR 52 N -0.50 0.26 0.00 0.00 0.05 -1.13 -0.74 116.97 114.92 2h4c h TYR 52 Ca -0.49 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.29 2h4c h TYR 52 Cb 1.70 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 39.35 2h4c h TYR 52 CO 0.04 0.16 0.00 0.00 -1.05 0.00 0.00 178.16 177.31 2h4c h ALA 53 N 1.85 1.00 0.00 3.88 0.00 -1.74 -0.07 119.26 124.17 2h4c h ALA 53 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2h4c h ALA 53 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2h4c h ALA 53 CO -0.02 0.00 -0.51 0.00 0.00 0.00 0.00 179.25 178.72 2h4c h ARG 54 N 0.00 0.00 -5.78 0.00 3.08 -1.32 -3.44 114.38 106.91 2h4c h ARG 54 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 2h4c h ARG 54 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2h4c h ARG 54 CO 0.00 0.00 1.56 0.28 -1.07 0.00 0.00 179.97 180.74 2h4c n VAL 55 N -2.54 0.13 -2.92 2.04 0.31 -0.04 -4.90 118.33 110.41 2h4c n VAL 55 Ca 0.03 -0.55 -0.42 0.00 -0.01 0.00 0.00 64.34 63.39 2h4c n VAL 55 Cb 0.49 -2.44 -0.05 0.00 -0.91 0.00 0.00 33.84 30.94 2h4c n VAL 55 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2h4c s LYS 56 N 7.26 4.13 0.00 5.55 1.02 -1.26 -4.73 119.74 131.71 2h4c s LYS 56 Ca 1.03 0.84 0.00 0.00 0.02 0.00 0.00 55.97 57.86 2h4c s LYS 56 Cb -0.39 -3.66 0.00 0.00 -0.52 0.00 0.00 37.83 33.26 2h4c s LYS 56 CO 0.34 -0.55 0.00 0.41 -0.92 0.00 0.00 175.35 174.63 2h4c n GLY 58 N 3.88 0.83 3.44 -3.33 0.00 -1.26 -4.79 105.19 103.95 2h4c n GLY 58 Ca 0.05 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 2h4c n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h4c s ASN 61 N -2.10 6.88 0.14 0.00 3.84 -1.26 -4.92 114.94 117.51 2h4c s ASN 61 Ca 0.59 1.08 0.05 0.00 0.21 0.00 0.00 52.86 54.79 2h4c s ASN 61 Cb -0.20 -2.29 -0.12 0.00 -0.55 0.00 0.00 41.25 38.09 2h4c s ASN 61 CO 0.66 0.21 1.32 -0.65 -2.79 0.00 0.00 177.10 175.85 2h4c h PRO 68 N 4.14 0.07 0.00 0.43 0.11 -1.94 -3.27 132.00 131.54 2h4c h PRO 68 Ca -0.50 -0.10 -0.15 0.00 0.11 0.00 0.00 66.00 65.37 2h4c h PRO 68 Cb 1.21 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 2h4c h PRO 68 CO 0.64 0.97 -0.72 -0.22 -0.21 0.00 0.00 178.00 178.46 2h4c h LYS 69 N 0.03 0.00 -0.02 1.05 3.11 -1.96 -3.07 116.57 115.72 2h4c h LYS 69 Ca -0.03 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 2h4c h LYS 69 Cb 1.67 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.90 2h4c h LYS 69 CO 0.13 0.72 -0.26 1.28 -2.81 0.00 0.00 179.45 178.51 2h4c n LEU 70 N -3.33 2.13 -4.58 5.20 4.32 -1.26 -3.95 117.00 115.52 2h4c n LEU 70 Ca 0.01 -0.84 -0.41 0.00 -0.02 0.00 0.00 56.01 54.75 2h4c n LEU 70 Cb 0.80 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.53 2h4c n LEU 70 CO 0.43 0.39 0.22 0.54 -1.22 0.00 0.00 177.39 177.74 2h4c s VAL 71 N -2.02 5.05 -0.10 4.08 0.11 -1.23 -4.78 120.40 121.51 2h4c s VAL 71 Ca 0.19 0.57 -0.22 0.00 -2.93 0.00 0.00 61.98 59.59 2h4c s VAL 71 Cb 0.16 -3.88 -0.04 0.00 -1.53 0.00 0.00 36.38 31.09 2h4c s VAL 71 CO 0.41 -0.06 0.63 -1.61 -3.33 0.00 0.00 175.10 171.13 2h4c s GLU 72 N 2.33 4.38 0.42 1.54 8.01 -1.26 0.11 118.70 134.24 2h4c s GLU 72 Ca 0.19 0.72 0.07 0.00 0.01 0.00 0.00 54.97 55.97 2h4c s GLU 72 Cb -0.16 -3.46 -0.04 0.00 -4.31 0.00 0.00 34.13 26.17 2h4c s GLU 72 CO 0.11 0.05 0.24 1.52 0.01 0.00 0.00 175.26 177.20 2h4c s TYR 73 N 0.89 2.57 -0.21 1.61 -0.85 -1.26 -4.96 117.35 115.15 2h4c s TYR 73 Ca 0.33 -0.58 -0.08 0.00 -0.52 0.00 0.00 57.07 56.22 2h4c s TYR 73 Cb -0.17 -2.01 -0.04 0.00 0.38 0.00 0.00 41.96 40.13 2h4c s TYR 73 CO 0.15 0.07 0.07 0.45 -1.52 0.00 0.00 175.55 174.77 2h4c s SER 74 N -3.98 5.48 0.05 -0.18 0.15 -1.26 -5.07 113.70 108.88 2h4c s SER 74 Ca 0.42 -0.02 -0.17 0.00 0.70 0.00 0.00 55.95 56.88 2h4c s SER 74 Cb 0.02 -1.96 0.03 0.00 -1.71 0.00 0.00 66.02 62.40 2h4c s SER 74 CO 0.24 0.09 0.39 -0.72 1.20 0.00 0.00 173.24 174.44 2h4c s TYR 75 N 0.87 -0.23 -0.02 3.44 1.13 -1.26 -3.57 117.35 117.71 2h4c s TYR 75 Ca 0.04 0.15 0.01 0.00 -1.41 0.00 0.00 57.07 55.86 2h4c s TYR 75 Cb -0.14 0.19 0.01 0.00 -1.10 0.00 0.00 41.96 40.93 2h4c s TYR 75 CO 0.03 -0.57 -0.03 0.45 -2.51 0.00 0.00 175.55 172.92 2h4c s SER 76 N -2.07 0.55 -0.63 -0.18 0.15 -1.06 -5.00 113.70 105.46 2h4c s SER 76 Ca -0.05 -0.07 -0.18 0.00 0.70 0.00 0.00 55.95 56.36 2h4c s SER 76 Cb -0.01 -0.17 0.13 0.00 -1.71 0.00 0.00 66.02 64.26 2h4c s SER 76 CO -0.03 -0.01 0.69 -0.47 1.20 0.00 0.00 173.24 174.62 2h4c s TYR 77 N 0.38 3.17 -0.15 3.44 5.04 -1.26 -1.87 117.35 126.09 2h4c s TYR 77 Ca -0.04 -1.21 -0.07 0.00 -2.44 0.00 0.00 57.07 53.31 2h4c s TYR 77 Cb -0.07 -3.95 -0.04 0.00 0.35 0.00 0.00 41.96 38.24 2h4c s TYR 77 CO -0.01 -1.20 0.11 1.03 -1.34 0.00 0.00 175.55 174.14 2h4c s ARG 78 N 2.08 3.71 -0.33 4.97 0.52 -1.09 -4.68 118.95 124.14 2h4c s ARG 78 Ca 0.12 -0.22 -0.00 0.00 -0.52 0.00 0.00 55.73 55.10 2h4c s ARG 78 Cb -0.23 -3.22 0.00 0.00 0.52 0.00 0.00 34.95 32.02 2h4c s ARG 78 CO 0.02 0.54 0.00 2.41 0.02 0.00 0.00 175.30 178.30 2h4c n THR 79 N 2.72 -0.21 -2.69 0.02 -1.04 -1.26 0.29 114.28 112.11 2h4c n THR 79 Ca -0.18 -0.11 -0.07 0.00 -2.04 0.00 0.00 64.05 61.65 2h4c n THR 79 Cb 0.53 -0.21 0.03 0.00 -1.82 0.00 0.00 70.33 68.86 2h4c n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2h4c n GLY 80 N -1.33 0.27 3.03 3.41 0.00 -1.26 -5.05 105.19 104.25 2h4c n GLY 80 Ca -0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.62 2h4c n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2h4c s LYS 81 N -4.93 0.45 -0.52 1.61 2.47 0.14 -5.09 119.74 113.88 2h4c s LYS 81 Ca 0.09 0.73 -0.27 0.00 -1.56 0.00 0.00 55.97 54.96 2h4c s LYS 81 Cb -0.04 0.01 -0.02 0.00 -1.46 0.00 0.00 37.83 36.31 2h4c s LYS 81 CO 0.26 -0.66 1.88 0.42 0.16 0.00 0.00 175.35 177.41 2h4c s ILE 82 N 2.69 3.37 -0.23 5.43 1.01 -1.26 -2.65 121.20 129.56 2h4c s ILE 82 Ca 0.16 0.27 -0.15 0.00 0.00 0.00 0.00 60.65 60.94 2h4c s ILE 82 Cb -0.15 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 2h4c s ILE 82 CO -0.19 -0.70 0.37 0.54 0.00 0.00 0.00 174.94 174.96 2h4c s VAL 83 N 8.69 5.20 -0.72 2.92 0.11 -0.78 -5.00 120.40 130.82 2h4c s VAL 83 Ca 0.73 0.62 -0.20 0.00 -2.93 0.00 0.00 61.98 60.19 2h4c s VAL 83 Cb -0.16 -3.70 0.10 0.00 -1.53 0.00 0.00 36.38 31.10 2h4c s VAL 83 CO 0.25 0.22 0.91 0.00 -3.33 0.00 0.00 175.10 173.15 2h4c s GLY 85 N 3.58 2.37 -0.20 0.00 0.00 -1.23 -5.01 107.32 106.83 2h4c s GLY 85 Ca 0.21 -2.96 -0.15 0.00 0.00 0.00 0.00 44.72 41.82 2h4c s GLY 85 CO 0.03 1.18 0.50 -0.32 0.00 0.00 0.00 173.10 174.50 2h4c s GLY 86 N 2.31 -0.40 -0.16 0.20 0.00 -1.26 -4.58 107.32 103.43 2h4c s GLY 86 Ca 0.12 1.62 0.01 0.00 0.00 0.00 0.00 44.72 46.47 2h4c s GLY 86 CO -0.04 1.57 1.44 1.22 0.00 0.00 0.00 173.10 177.29 2h4c n ASP 88 N 3.52 3.80 -3.71 1.64 10.43 -1.26 -4.75 116.55 126.22 2h4c n ASP 88 Ca -0.18 -2.59 -0.28 0.00 2.57 0.00 0.00 54.79 54.31 2h4c n ASP 88 Cb 0.56 -0.70 -0.16 0.00 1.84 0.00 0.00 41.12 42.66 2h4c n ASP 88 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2h4c s ASP 89 N 0.34 2.94 0.29 -2.24 -1.08 -1.26 -5.03 116.67 110.64 2h4c s ASP 89 Ca 0.19 -0.87 0.04 0.00 -0.52 0.00 0.00 52.55 51.39 2h4c s ASP 89 Cb 0.16 -0.56 0.76 0.00 -1.46 0.00 0.00 42.92 41.82 2h4c s ASP 89 CO 0.03 -0.33 1.66 -0.65 0.52 0.00 0.00 175.17 176.40 2h4c h PRO 90 N 8.26 0.25 0.89 4.34 0.11 -1.98 0.29 132.00 144.16 2h4c h PRO 90 Ca -0.16 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.89 2h4c h PRO 90 Cb 1.11 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.17 2h4c h PRO 90 CO 0.34 0.17 -0.45 0.00 -0.21 0.00 0.00 178.00 177.85 2h4c h LEU 92 N -1.23 -0.28 -0.51 0.00 3.38 -1.75 -2.63 115.31 112.29 2h4c h LEU 92 Ca -0.12 0.04 0.10 0.00 0.09 0.00 0.00 57.88 57.99 2h4c h LEU 92 Cb 0.95 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.73 2h4c h LEU 92 CO 0.18 -0.14 -0.10 -0.09 0.09 0.00 0.00 178.44 178.39 2h4c h ARG 93 N -0.16 0.03 -0.15 1.13 2.43 -0.43 -2.45 114.38 114.78 2h4c h ARG 93 Ca 0.04 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2h4c h ARG 93 Cb 0.21 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 2h4c h ARG 93 CO -0.10 0.02 -0.14 0.00 -1.51 0.00 0.00 179.97 178.23 2h4c h ALA 94 N 1.50 -0.34 -1.00 2.80 0.00 -0.73 -1.67 119.26 119.81 2h4c h ALA 94 Ca 0.25 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.29 2h4c h ALA 94 Cb 0.38 0.89 -0.14 0.00 0.00 0.00 0.00 17.79 18.92 2h4c h ALA 94 CO -0.50 -0.42 -0.47 0.28 0.00 0.00 0.00 179.25 178.14 2h4c h VAL 95 N -0.07 0.00 -0.86 0.00 2.07 -1.25 0.74 116.25 116.88 2h4c h VAL 95 Ca 0.02 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.77 2h4c h VAL 95 Cb 0.14 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.77 2h4c h VAL 95 CO -0.18 0.00 0.14 0.00 0.02 0.00 0.00 177.57 177.56 2h4c h GLU 97 N 0.15 0.00 0.00 0.00 4.57 0.14 0.22 114.58 119.66 2h4c h GLU 97 Ca 0.52 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.63 2h4c h GLU 97 Cb 1.02 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 2h4c h GLU 97 CO -0.70 0.03 -0.34 0.00 -1.18 0.00 0.00 179.01 176.82 2h4c n ASP 99 N -3.19 1.06 0.10 0.00 8.00 -0.08 -3.34 116.55 119.10 2h4c n ASP 99 Ca 0.03 0.38 -0.13 0.00 0.71 0.00 0.00 54.79 55.78 2h4c n ASP 99 Cb 0.66 -0.18 -0.08 0.00 -0.02 0.00 0.00 41.12 41.50 2h4c n ASP 99 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2h4c h ARG 100 N 0.01 -0.28 -0.79 -1.24 2.43 -0.64 -0.00 114.38 113.88 2h4c h ARG 100 Ca -0.31 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.91 2h4c h ARG 100 Cb 2.02 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 31.59 2h4c h ARG 100 CO 0.08 0.07 0.50 0.28 -1.51 0.00 0.00 179.97 179.40 2h4c h VAL 101 N -0.69 1.13 0.12 0.20 2.07 -1.58 -2.11 116.25 115.39 2h4c h VAL 101 Ca -0.03 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2h4c h VAL 101 Cb 0.48 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2h4c h VAL 101 CO 0.05 0.18 -0.06 0.00 0.02 0.00 0.00 177.57 177.76 2h4c h ALA 102 N 1.32 -0.16 -0.94 1.67 0.00 -1.60 -1.36 119.26 118.19 2h4c h ALA 102 Ca 0.31 -0.22 0.21 0.00 0.00 0.00 0.00 54.91 55.21 2h4c h ALA 102 Cb -0.01 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 2h4c h ALA 102 CO -0.11 -0.35 0.61 0.00 0.00 0.00 0.00 179.25 179.41 2h4c h ALA 103 N 0.12 2.16 -0.01 0.00 0.00 -0.92 0.70 119.26 121.32 2h4c h ALA 103 Ca -0.02 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 2h4c h ALA 103 Cb 0.50 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2h4c h ALA 103 CO 0.03 -0.47 -0.81 0.82 0.00 0.00 0.00 179.25 178.82 2h4c h ILE 104 N 0.44 1.51 0.47 0.00 2.04 -1.30 -3.16 117.51 117.51 2h4c h ILE 104 Ca 0.50 -2.57 -0.02 0.00 1.00 0.00 0.00 64.86 63.77 2h4c h ILE 104 Cb 1.20 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 39.69 2h4c h ILE 104 CO -0.21 0.74 -0.23 0.00 0.00 0.00 0.00 178.15 178.45 2h4c h PHE 106 N -0.67 0.00 0.00 0.00 0.04 -1.32 -2.83 116.94 112.15 2h4c h PHE 106 Ca -0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.71 2h4c h PHE 106 Cb 0.49 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.64 2h4c h PHE 106 CO 0.11 0.00 0.00 0.54 -0.60 0.00 0.00 178.31 178.36 2h4c n ARG 107 N -3.87 0.00 -0.04 1.51 1.74 -1.17 -2.02 116.66 112.82 2h4c n ARG 107 Ca 0.12 0.11 0.24 0.00 -0.77 0.00 0.00 57.85 57.55 2h4c n ARG 107 Cb 0.81 -0.64 0.63 0.00 -1.02 0.00 0.00 32.46 32.23 2h4c n ARG 107 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2h4c h GLU 108 N 0.00 0.00 -0.91 5.56 5.08 -1.66 -0.55 114.58 122.10 2h4c h GLU 108 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.95 2h4c h GLU 108 Cb 0.00 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.01 2h4c h GLU 108 CO 0.00 0.00 0.52 0.09 -1.00 0.00 0.00 179.01 178.62 2h4c n ASN 109 N -3.51 4.17 -0.58 1.42 3.02 -1.03 -4.24 115.26 114.52 2h4c n ASN 109 Ca 0.14 -3.46 0.13 0.00 -0.03 0.00 0.00 54.58 51.37 2h4c n ASN 109 Cb 0.99 -0.81 0.36 0.00 -0.61 0.00 0.00 39.78 39.72 2h4c n ASN 109 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 2h4c n MET 110 N -0.76 1.70 -0.00 3.52 1.56 -0.21 -3.82 117.12 119.11 2h4c n MET 110 Ca 0.53 -1.16 0.10 0.00 -0.27 0.00 0.00 57.70 56.90 2h4c n MET 110 Cb 1.57 -1.48 -0.13 0.00 2.15 0.00 0.00 33.22 35.33 2h4c n MET 110 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2h4c n ASN 111 N 0.37 0.69 -0.52 6.12 5.03 -1.26 -3.56 115.26 122.13 2h4c n ASN 111 Ca 0.16 -0.64 0.13 0.00 0.87 0.00 0.00 54.58 55.10 2h4c n ASN 111 Cb 0.43 1.33 0.35 0.00 -1.02 0.00 0.00 39.78 40.88 2h4c n ASN 111 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2h4c n THR 112 N -1.74 0.00 -1.67 3.41 -2.24 -1.25 -4.95 114.28 105.84 2h4c n THR 112 Ca 0.01 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 61.09 2h4c n THR 112 Cb 0.40 0.75 -0.01 0.00 -2.10 0.00 0.00 70.33 69.37 2h4c n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h4c n TYR 113 N 0.19 2.04 -3.66 4.78 4.19 -1.23 -5.02 117.16 118.45 2h4c n TYR 113 Ca 0.15 0.58 -0.09 0.00 3.31 0.00 0.00 57.90 61.86 2h4c n TYR 113 Cb 0.41 -2.38 -0.10 0.00 0.49 0.00 0.00 39.34 37.77 2h4c n TYR 113 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 2h4c s ASP 114 N -0.38 -0.21 0.55 2.98 2.15 -1.26 -5.03 116.67 115.47 2h4c s ASP 114 Ca 0.56 0.96 0.26 0.00 0.43 0.00 0.00 52.55 54.77 2h4c s ASP 114 Cb -0.59 1.30 1.45 0.00 -0.30 0.00 0.00 42.92 44.78 2h4c s ASP 114 CO 0.62 -0.23 2.01 0.07 -0.17 0.00 0.00 175.17 177.46 2h4c h LYS 115 N 8.17 0.00 -3.30 4.34 2.10 -2.02 -3.12 116.57 122.74 2h4c h LYS 115 Ca -0.16 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 57.93 2h4c h LYS 115 Cb 1.11 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.46 2h4c h LYS 115 CO 0.12 0.00 3.27 1.63 -2.00 0.00 0.00 179.45 182.47 2h4c n LYS 116 N -4.20 2.93 -0.30 0.07 5.02 -1.26 -0.78 118.16 119.64 2h4c n LYS 116 Ca 0.07 -1.93 0.00 0.00 -2.02 0.00 0.00 58.31 54.44 2h4c n LYS 116 Cb 0.54 -2.70 0.00 0.00 -0.02 0.00 0.00 35.03 32.84 2h4c n LYS 116 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2h4c n TYR 117 N 4.16 0.00 -3.89 2.13 4.01 -1.18 -5.04 117.16 117.36 2h4c n TYR 117 Ca 0.63 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 58.00 2h4c n TYR 117 Cb 0.21 0.21 -0.06 0.00 -0.31 0.00 0.00 39.34 39.39 2h4c n TYR 117 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 2h4c s MET 118 N 0.00 3.44 -0.36 -0.72 -1.94 0.04 0.32 119.30 120.07 2h4c s MET 118 Ca 0.00 -0.15 -0.32 0.00 -1.71 0.00 0.00 55.69 53.51 2h4c s MET 118 Cb 0.00 -3.18 0.05 0.00 2.01 0.00 0.00 34.83 33.71 2h4c s MET 118 CO 0.00 0.77 0.54 1.28 -0.01 0.00 0.00 175.02 177.60 2h4c n LEU 119 N 1.88 -2.66 -4.74 -0.03 7.99 0.29 -4.89 117.00 114.84 2h4c n LEU 119 Ca -0.19 -0.06 -0.27 0.00 -0.01 0.00 0.00 56.01 55.47 2h4c n LEU 119 Cb 0.55 -1.58 -0.07 0.00 -0.11 0.00 0.00 43.42 42.20 2h4c n LEU 119 CO 0.32 -0.26 -0.18 -0.31 -1.51 0.00 0.00 177.39 175.45 2h4c s TYR 120 N -1.36 2.30 0.00 -1.77 4.12 -1.26 -5.04 117.35 114.34 2h4c s TYR 120 Ca 0.32 -0.72 0.00 0.00 0.02 0.00 0.00 57.07 56.69 2h4c s TYR 120 Cb -0.03 -1.84 0.00 0.00 -1.52 0.00 0.00 41.96 38.57 2h4c s TYR 120 CO 0.71 0.17 0.00 -1.13 0.02 0.00 0.00 175.55 175.32 2h4c n SER 121 N -1.25 0.00 -1.82 2.29 3.41 -1.26 -4.99 113.62 109.99 2h4c n SER 121 Ca -0.06 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.35 2h4c n SER 121 Cb 0.66 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.72 2h4c n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h4c n ILE 122 N 0.00 2.90 -0.78 -1.33 3.06 -1.26 -3.87 119.36 118.08 2h4c n ILE 122 Ca 0.00 -3.16 0.02 0.00 -2.50 0.00 0.00 62.75 57.11 2h4c n ILE 122 Cb 0.00 -0.79 0.03 0.00 0.54 0.00 0.00 39.64 39.41 2h4c n ILE 122 CO 0.00 0.00 0.00 0.33 -2.50 0.00 0.00 176.55 174.38 2h4c n PHE 124 N -0.95 0.00 0.00 9.51 7.35 -1.26 -4.55 117.46 127.56 2h4c n PHE 124 Ca 0.47 -0.37 0.00 0.00 -0.76 0.00 0.00 57.45 56.79 2h4c n PHE 124 Cb 0.97 -0.05 0.00 0.00 0.35 0.00 0.00 39.48 40.75 2h4c n PHE 124 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2h4c n ASP 125 N -0.45 0.00 -2.23 -2.13 9.92 -1.26 -4.88 116.55 115.51 2h4c n ASP 125 Ca 0.03 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.09 2h4c n ASP 125 Cb 0.46 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.96 2h4c n ASP 125 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2h4c n LYS 127 N -0.64 2.52 -0.62 0.00 2.85 -1.26 -2.33 118.16 118.68 2h4c n LYS 127 Ca 0.36 -2.17 -0.26 0.00 -1.05 0.00 0.00 58.31 55.18 2h4c n LYS 127 Cb 0.90 -1.39 0.24 0.00 -0.65 0.00 0.00 35.03 34.12 2h4c n LYS 127 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2h4c n GLU 128 N 1.02 -3.56 -2.03 -1.58 1.02 -1.26 -4.78 120.64 109.47 2h4c n GLU 128 Ca 0.16 -1.43 -0.26 0.00 -0.02 0.00 0.00 57.16 55.61 2h4c n GLU 128 Cb 0.50 -1.53 -0.05 0.00 -0.02 0.00 0.00 31.44 30.34 2h4c n GLU 128 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2h4c s GLU 129 N -5.03 2.48 -0.90 3.49 8.01 -1.26 -4.38 118.70 121.11 2h4c s GLU 129 Ca 0.61 -0.43 -0.20 0.00 0.01 0.00 0.00 54.97 54.96 2h4c s GLU 129 Cb -0.08 -5.09 -0.24 0.00 -4.31 0.00 0.00 34.13 24.42 2h4c s GLU 129 CO 0.48 -3.57 2.37 0.43 0.01 0.00 0.00 175.26 174.98 2h4c n SER 130 N 14.34 0.05 -4.55 -0.19 7.64 -1.26 -4.64 113.62 125.00 2h4c n SER 130 Ca 0.41 -0.57 -0.51 0.00 1.01 0.00 0.00 58.87 59.21 2h4c n SER 130 Cb 0.47 -0.98 -0.05 0.00 -1.01 0.00 0.00 64.21 62.64 2h4c n SER 130 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2h4c n ASP 131 N 10.61 1.00 -4.93 6.43 2.03 -1.26 -4.94 116.55 125.49 2h4c n ASP 131 Ca 0.60 1.14 -0.25 0.00 0.52 0.00 0.00 54.79 56.80 2h4c n ASP 131 Cb 0.22 -1.14 0.01 0.00 -0.72 0.00 0.00 41.12 39.49 2h4c n ASP 131 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2h4c s GLN 132 N -0.12 3.24 0.00 -0.67 -0.21 -1.26 -4.89 119.66 115.75 2h4c s GLN 132 Ca 0.79 -0.18 0.00 0.00 0.02 0.00 0.00 55.36 55.99 2h4c s GLN 132 Cb -0.96 -2.47 0.00 0.00 1.00 0.00 0.00 33.01 30.58 2h4c s GLN 132 CO 0.52 -0.26 0.35 0.00 -2.12 0.00 0.00 175.29 173.78