#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c7c s HIS 2 N 0.00 3.58 0.00 3.17 2.46 -1.26 -4.41 115.29 118.83 1c7c s HIS 2 Ca 0.00 1.08 0.06 0.00 0.47 0.00 0.00 55.06 56.67 1c7c s HIS 2 Cb 0.00 -2.64 -0.02 0.00 -0.13 0.00 0.00 32.58 29.79 1c7c s HIS 2 CO 0.00 0.20 -0.18 -0.51 -2.47 0.00 0.00 174.74 171.78 1c7c s LEU 3 N 0.45 2.07 0.96 8.88 1.43 -1.26 -5.11 118.68 126.10 1c7c s LEU 3 Ca 0.31 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 1c7c s LEU 3 Cb -0.17 -0.89 0.17 0.00 0.03 0.00 0.00 46.19 45.33 1c7c s LEU 3 CO 0.15 0.19 1.11 0.42 0.23 0.00 0.00 176.35 178.44 1c7c s THR 4 N -0.53 2.25 0.31 5.49 -4.23 -1.26 -4.71 115.64 112.95 1c7c s THR 4 Ca 0.06 0.08 0.03 0.00 -1.18 0.00 0.00 61.69 60.69 1c7c s THR 4 Cb -0.07 -2.21 0.29 0.00 1.34 0.00 0.00 72.50 71.85 1c7c s THR 4 CO -0.00 -0.11 1.87 -0.65 -0.54 0.00 0.00 174.62 175.19 1c7c h PRO 5 N -1.95 0.90 -0.33 3.99 0.11 -2.00 -0.75 132.00 131.97 1c7c h PRO 5 Ca -0.48 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 1c7c h PRO 5 Cb 1.28 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1c7c h PRO 5 CO 0.46 0.60 0.11 0.93 -0.21 0.00 0.00 178.00 179.88 1c7c h GLU 6 N 0.93 0.51 -0.32 1.05 3.07 -2.00 -1.92 114.58 115.90 1c7c h GLU 6 Ca 0.45 -0.11 -0.07 0.00 -0.50 0.00 0.00 59.36 59.14 1c7c h GLU 6 Cb 0.45 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1c7c h GLU 6 CO -0.21 0.54 -0.05 0.93 -1.40 0.00 0.00 179.01 178.81 1c7c h GLU 7 N 0.37 0.61 -0.57 2.33 5.08 -1.77 -2.47 114.58 118.16 1c7c h GLU 7 Ca 0.11 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1c7c h GLU 7 Cb 0.24 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1c7c h GLU 7 CO -0.00 0.77 0.19 -0.22 -1.00 0.00 0.00 179.01 178.75 1c7c h LYS 8 N 0.39 0.87 -0.93 2.33 3.64 -1.09 -1.71 116.57 120.08 1c7c h LYS 8 Ca 0.08 -0.18 0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1c7c h LYS 8 Cb 0.53 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 1c7c h LYS 8 CO 0.03 0.78 0.60 1.03 -2.27 0.00 0.00 179.45 179.62 1c7c h SER 9 N 0.79 1.01 -0.50 4.20 0.87 -1.31 -1.52 113.55 117.09 1c7c h SER 9 Ca 0.18 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.65 1c7c h SER 9 Cb 0.26 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1c7c h SER 9 CO -0.01 0.70 -0.03 0.00 -0.53 0.00 0.00 176.83 176.96 1c7c h ALA 10 N 1.38 0.68 0.02 6.23 0.00 -1.10 -0.89 119.26 125.57 1c7c h ALA 10 Ca 0.37 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1c7c h ALA 10 Cb -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1c7c h ALA 10 CO -0.12 0.51 -0.01 0.28 0.00 0.00 0.00 179.25 179.92 1c7c h VAL 11 N 0.76 1.11 -0.22 0.00 2.07 -0.94 -2.57 116.25 116.46 1c7c h VAL 11 Ca 0.14 -0.37 -0.15 0.00 0.82 0.00 0.00 66.70 67.14 1c7c h VAL 11 Cb 0.55 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1c7c h VAL 11 CO 0.03 0.10 -0.48 0.71 0.02 0.00 0.00 177.57 177.95 1c7c h THR 12 N -0.18 1.31 -0.30 2.57 1.35 -1.25 -2.11 112.91 114.30 1c7c h THR 12 Ca -0.00 -1.68 0.04 0.00 -0.55 0.00 0.00 66.41 64.21 1c7c h THR 12 Cb 0.17 1.65 -0.04 0.00 -1.73 0.00 0.00 68.15 68.21 1c7c h THR 12 CO 0.00 0.53 0.06 0.00 -0.25 0.00 0.00 175.52 175.86 1c7c h ALA 13 N 1.01 0.31 -0.09 6.62 0.00 -1.14 -2.61 119.26 123.38 1c7c h ALA 13 Ca 0.02 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 1c7c h ALA 13 Cb 1.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1c7c h ALA 13 CO 0.09 -0.35 -0.68 1.25 0.00 0.00 0.00 179.25 179.56 1c7c h LEU 14 N 0.17 0.44 -1.41 0.00 5.85 -1.32 -3.17 115.31 115.88 1c7c h LEU 14 Ca 0.14 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 1c7c h LEU 14 Cb 0.14 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1c7c h LEU 14 CO -0.18 1.00 -0.24 -0.25 -0.34 0.00 0.00 178.44 178.43 1c7c h TRP 15 N 0.27 0.00 0.00 1.25 2.91 -1.15 -1.78 115.95 117.44 1c7c h TRP 15 Ca -0.02 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.00 1c7c h TRP 15 Cb 1.24 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.89 1c7c h TRP 15 CO 0.04 0.24 0.00 0.78 -1.03 0.00 0.00 178.44 178.47 1c7c h GLY 16 N 1.43 0.00 -0.76 2.65 0.00 -1.44 -1.84 103.07 103.11 1c7c h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1c7c h GLY 16 CO 0.03 0.00 -0.58 0.28 0.00 0.00 0.00 176.54 176.27 1c7c n LYS 17 N -2.83 0.95 -2.89 4.80 5.02 -0.67 -4.94 118.16 117.60 1c7c n LYS 17 Ca -0.01 -0.78 -0.41 0.00 -2.02 0.00 0.00 58.31 55.08 1c7c n LYS 17 Cb 0.14 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 1c7c n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1c7c s VAL 18 N -2.59 4.87 -0.63 -0.18 1.01 -0.69 -5.00 120.40 117.19 1c7c s VAL 18 Ca 0.16 1.62 -0.27 0.00 0.00 0.00 0.00 61.98 63.50 1c7c s VAL 18 Cb 0.18 -4.13 0.04 0.00 0.00 0.00 0.00 36.38 32.46 1c7c s VAL 18 CO 0.63 0.01 1.15 0.21 0.00 0.00 0.00 175.10 177.10 1c7c s ASN 19 N 1.19 6.32 0.36 3.32 3.84 -1.26 -4.92 114.94 123.78 1c7c s ASN 19 Ca 0.38 -0.24 0.05 0.00 0.21 0.00 0.00 52.86 53.26 1c7c s ASN 19 Cb -0.16 -2.52 0.67 0.00 -0.55 0.00 0.00 41.25 38.69 1c7c s ASN 19 CO 0.11 -1.54 1.93 0.58 -2.79 0.00 0.00 177.10 175.39 1c7c h VAL 20 N 6.08 1.17 0.44 -5.21 2.07 -1.95 -0.11 116.25 118.74 1c7c h VAL 20 Ca -0.26 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1c7c h VAL 20 Cb 1.06 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1c7c h VAL 20 CO 1.20 0.22 -0.49 0.44 0.02 0.00 0.00 177.57 178.96 1c7c h ASP 21 N 0.54 -1.34 -0.30 0.57 3.32 -1.91 0.22 116.42 117.52 1c7c h ASP 21 Ca 0.13 0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 1c7c h ASP 21 Cb 0.21 0.45 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1c7c h ASP 21 CO -0.00 -0.63 0.03 -0.08 -1.72 0.00 0.00 179.24 176.83 1c7c h GLU 22 N -0.94 0.51 -0.41 3.56 4.81 -1.84 -2.17 114.58 118.10 1c7c h GLU 22 Ca -0.05 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 58.89 1c7c h GLU 22 Cb 0.84 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1c7c h GLU 22 CO -0.09 0.63 -0.33 0.28 -0.73 0.00 0.00 179.01 178.77 1c7c h VAL 23 N 0.31 1.27 -0.49 0.32 2.07 -1.06 -2.47 116.25 116.21 1c7c h VAL 23 Ca 0.09 -1.49 0.03 0.00 0.82 0.00 0.00 66.70 66.14 1c7c h VAL 23 Cb 0.38 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1c7c h VAL 23 CO 0.01 0.50 0.28 1.23 0.02 0.00 0.00 177.57 179.61 1c7c h GLY 24 N 0.84 0.68 1.63 2.17 0.00 -0.39 0.27 103.07 108.27 1c7c h GLY 24 Ca 0.08 -0.21 -0.12 0.00 0.00 0.00 0.00 47.33 47.08 1c7c h GLY 24 CO 0.08 0.17 -0.41 -1.33 0.00 0.00 0.00 176.54 175.05 1c7c h GLY 25 N 0.55 0.44 0.90 4.60 0.00 -1.39 -2.01 103.07 106.16 1c7c h GLY 25 Ca 0.20 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1c7c h GLY 25 CO -0.10 0.39 0.09 -2.09 0.00 0.00 0.00 176.54 174.83 1c7c h GLU 26 N 0.34 0.43 -0.07 4.80 4.57 -0.94 -1.95 114.58 121.76 1c7c h GLU 26 Ca 0.03 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1c7c h GLU 26 Cb 0.86 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.39 1c7c h GLU 26 CO 0.07 0.49 0.02 0.00 -1.18 0.00 0.00 179.01 178.42 1c7c h ALA 27 N 0.92 0.09 -0.57 2.92 0.00 -0.82 -0.72 119.26 121.07 1c7c h ALA 27 Ca 0.09 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1c7c h ALA 27 Cb 0.24 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1c7c h ALA 27 CO -0.00 -0.31 0.07 1.25 0.00 0.00 0.00 179.25 180.26 1c7c h LEU 28 N -0.08 0.93 -0.36 0.00 5.85 -1.43 -1.60 115.31 118.62 1c7c h LEU 28 Ca 0.02 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1c7c h LEU 28 Cb 0.20 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1c7c h LEU 28 CO -0.00 0.97 0.23 1.23 -0.34 0.00 0.00 178.44 180.53 1c7c h GLY 29 N 0.86 0.51 1.39 3.75 0.00 -1.23 -2.25 103.07 106.09 1c7c h GLY 29 Ca 0.17 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 1c7c h GLY 29 CO 0.02 0.17 0.09 3.21 0.00 0.00 0.00 176.54 180.03 1c7c h ARG 30 N 0.48 0.77 -0.36 4.80 3.08 -1.01 -1.56 114.38 120.57 1c7c h ARG 30 Ca 0.14 -0.16 0.06 0.00 0.07 0.00 0.00 59.98 60.09 1c7c h ARG 30 Cb -0.04 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 29.84 1c7c h ARG 30 CO -0.04 0.71 0.01 1.25 -1.07 0.00 0.00 179.97 180.84 1c7c h LEU 31 N 0.74 -0.12 -1.18 3.04 5.85 -0.95 0.25 115.31 122.94 1c7c h LEU 31 Ca 0.16 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 1c7c h LEU 31 Cb 0.32 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1c7c h LEU 31 CO 0.00 -0.02 -0.41 -0.07 -0.34 0.00 0.00 178.44 177.61 1c7c h LEU 32 N 0.12 0.00 0.14 2.25 3.38 -0.98 -1.21 115.31 119.01 1c7c h LEU 32 Ca 0.18 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.96 1c7c h LEU 32 Cb 0.24 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.01 1c7c h LEU 32 CO -0.28 0.41 -0.83 0.58 0.09 0.00 0.00 178.44 178.40 1c7c h VAL 33 N 0.00 1.50 0.17 1.22 2.07 -0.83 -3.30 116.25 117.09 1c7c h VAL 33 Ca -0.00 -2.54 -0.30 0.00 0.82 0.00 0.00 66.70 64.68 1c7c h VAL 33 Cb 0.73 3.19 0.02 0.00 -1.52 0.00 0.00 31.29 33.71 1c7c h VAL 33 CO 0.05 0.72 -1.37 0.58 0.02 0.00 0.00 177.57 177.57 1c7c h VAL 34 N -0.37 1.38 -2.65 2.57 2.07 -0.51 -3.38 116.25 115.36 1c7c h VAL 34 Ca -0.15 -2.90 -0.61 0.00 0.82 0.00 0.00 66.70 63.86 1c7c h VAL 34 Cb 1.65 2.96 -0.42 0.00 -1.52 0.00 0.00 31.29 33.97 1c7c h VAL 34 CO 0.15 0.86 -0.64 -1.22 0.02 0.00 0.00 177.57 176.74 1c7c n TYR 35 N -3.59 2.86 0.28 1.57 4.01 -0.46 -4.98 117.16 116.86 1c7c n TYR 35 Ca -0.12 -4.14 0.17 0.00 -0.16 0.00 0.00 57.90 53.64 1c7c n TYR 35 Cb 1.06 -0.52 0.83 0.00 -0.31 0.00 0.00 39.34 40.41 1c7c n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1c7c h PRO 36 N 4.90 0.00 0.00 -0.72 0.11 -1.75 -1.23 132.00 133.31 1c7c h PRO 36 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1c7c h PRO 36 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1c7c h PRO 36 CO 0.72 0.00 0.00 0.11 -0.21 0.00 0.00 178.00 178.62 1c7c h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.91 -1.33 115.95 113.45 1c7c h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1c7c h TRP 37 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.38 1c7c h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1c7c n THR 38 N -2.90 0.91 0.28 0.12 -2.24 -0.47 -2.35 114.28 107.63 1c7c n THR 38 Ca -0.00 0.36 0.06 0.00 -2.27 0.00 0.00 64.05 62.20 1c7c n THR 38 Cb 0.21 -1.31 0.26 0.00 -2.10 0.00 0.00 70.33 67.39 1c7c n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c7c n GLN 39 N -2.21 0.04 0.32 -0.78 6.02 -0.50 -3.28 117.38 116.98 1c7c n GLN 39 Ca 0.01 0.40 0.20 0.00 -0.01 0.00 0.00 57.00 57.60 1c7c n GLN 39 Cb 0.17 -1.60 1.04 0.00 1.02 0.00 0.00 30.24 30.88 1c7c n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1c7c h ARG 40 N 0.00 0.00 -0.01 -1.09 0.11 -1.69 -1.48 114.38 110.22 1c7c h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1c7c h ARG 40 Cb 0.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 1c7c h ARG 40 CO 0.00 0.01 -0.07 1.19 0.10 0.00 0.00 179.97 181.19 1c7c n PHE 41 N -3.16 0.00 -2.21 4.08 3.72 -1.21 -4.47 117.46 114.22 1c7c n PHE 41 Ca -0.02 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.41 1c7c n PHE 41 Cb 0.14 -0.03 0.09 0.00 -0.94 0.00 0.00 39.48 38.74 1c7c n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1c7c n PHE 42 N 0.03 0.27 -0.11 1.38 3.72 -0.56 -4.83 117.46 117.36 1c7c n PHE 42 Ca 0.17 -1.07 0.16 0.00 -0.05 0.00 0.00 57.45 56.66 1c7c n PHE 42 Cb 0.37 -0.20 0.55 0.00 -0.94 0.00 0.00 39.48 39.26 1c7c n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1c7c h GLU 43 N 1.21 0.30 0.00 -1.08 4.39 -1.78 -0.01 114.58 117.61 1c7c h GLU 43 Ca -0.11 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1c7c h GLU 43 Cb 1.53 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.11 1c7c h GLU 43 CO 0.11 0.20 0.00 -1.13 -1.16 0.00 0.00 179.01 177.03 1c7c n SER 44 N -4.45 0.00 -0.25 1.42 3.41 -1.26 -3.68 113.62 108.80 1c7c n SER 44 Ca 0.13 -1.07 0.14 0.00 -0.26 0.00 0.00 58.87 57.81 1c7c n SER 44 Cb 0.53 0.00 0.59 0.00 -0.26 0.00 0.00 64.21 65.07 1c7c n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1c7c n PHE 45 N -0.94 0.00 0.00 7.33 3.01 -0.02 -5.03 117.46 121.81 1c7c n PHE 45 Ca 0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.66 1c7c n PHE 45 Cb 0.09 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 1c7c n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1c7c n GLY 46 N 1.21 0.80 3.56 1.37 0.00 -1.24 -4.77 105.19 106.11 1c7c n GLY 46 Ca 0.17 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 1c7c n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1c7c s ASP 47 N -4.00 6.49 -0.15 1.61 2.15 -1.26 -4.91 116.67 116.60 1c7c s ASP 47 Ca 0.00 0.11 0.14 0.00 0.43 0.00 0.00 52.55 53.24 1c7c s ASP 47 Cb 0.00 -2.44 0.35 0.00 -0.30 0.00 0.00 42.92 40.54 1c7c s ASP 47 CO 0.00 -1.00 1.18 0.18 -0.17 0.00 0.00 175.17 175.36 1c7c n LEU 48 N 7.02 2.31 -0.05 -1.34 4.77 -1.26 -4.32 117.00 124.14 1c7c n LEU 48 Ca 0.05 -3.32 -0.10 0.00 -0.03 0.00 0.00 56.01 52.62 1c7c n LEU 48 Cb 0.48 -0.43 0.05 0.00 -2.33 0.00 0.00 43.42 41.20 1c7c n LEU 48 CO 0.62 1.02 0.56 0.77 -1.33 0.00 0.00 177.39 179.04 1c7c h SER 49 N 0.58 0.75 -3.60 -1.43 4.64 -1.92 -3.44 113.55 109.12 1c7c h SER 49 Ca -0.02 -0.35 -0.39 0.00 -0.47 0.00 0.00 61.79 60.57 1c7c h SER 49 Cb 1.08 -0.21 -0.14 0.00 -0.31 0.00 0.00 62.40 62.82 1c7c h SER 49 CO 0.01 1.07 -0.71 0.42 -0.87 0.00 0.00 176.83 176.74 1c7c s THR 50 N -4.26 1.40 0.26 2.95 -4.23 -1.26 -5.03 115.64 105.47 1c7c s THR 50 Ca -0.09 -2.12 -0.04 0.00 -1.18 0.00 0.00 61.69 58.26 1c7c s THR 50 Cb 0.12 -2.01 0.20 0.00 1.34 0.00 0.00 72.50 72.14 1c7c s THR 50 CO 0.85 -0.62 1.87 -0.65 -0.54 0.00 0.00 174.62 175.53 1c7c h PRO 51 N 2.63 1.08 -0.15 3.99 0.11 -1.98 0.13 132.00 137.81 1c7c h PRO 51 Ca -0.37 -0.14 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 1c7c h PRO 51 Cb 1.21 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1c7c h PRO 51 CO 0.63 0.82 -0.45 -0.44 -0.21 0.00 0.00 178.00 178.36 1c7c h ASP 52 N 1.07 0.39 -0.59 -2.05 3.32 -1.98 -0.02 116.42 116.56 1c7c h ASP 52 Ca 0.26 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1c7c h ASP 52 Cb 0.09 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1c7c h ASP 52 CO -0.04 0.79 0.08 0.00 -1.72 0.00 0.00 179.24 178.35 1c7c h ALA 53 N 1.23 0.78 -0.01 3.45 0.00 -1.60 -2.23 119.26 120.89 1c7c h ALA 53 Ca 0.02 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1c7c h ALA 53 Cb 0.91 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1c7c h ALA 53 CO 0.08 0.55 0.00 0.28 0.00 0.00 0.00 179.25 180.16 1c7c h VAL 54 N 0.89 1.17 0.00 0.00 2.07 -0.43 -2.28 116.25 117.67 1c7c h VAL 54 Ca 0.18 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1c7c h VAL 54 Cb 0.44 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1c7c h VAL 54 CO 0.01 0.13 -0.17 0.24 0.02 0.00 0.00 177.57 177.81 1c7c h MET 55 N -0.20 0.00 -0.00 1.57 2.07 -1.01 -2.64 114.93 114.72 1c7c h MET 55 Ca 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 1c7c h MET 55 Cb 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.94 1c7c h MET 55 CO -0.00 0.17 -0.56 0.41 1.07 0.00 0.00 176.91 178.00 1c7c n GLY 56 N -0.80 -0.95 3.65 8.32 0.00 -0.84 -4.88 105.19 109.70 1c7c n GLY 56 Ca -0.02 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1c7c n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1c7c s ASN 57 N -2.85 6.53 0.45 1.61 3.84 -0.87 -4.88 114.94 118.76 1c7c s ASN 57 Ca 0.14 2.15 0.20 0.00 0.21 0.00 0.00 52.86 55.56 1c7c s ASN 57 Cb 0.18 -2.53 1.07 0.00 -0.55 0.00 0.00 41.25 39.41 1c7c s ASN 57 CO 0.69 -1.06 1.94 1.55 -2.79 0.00 0.00 177.10 177.43 1c7c h PRO 58 N 10.17 0.00 -0.00 0.43 0.13 -1.90 -2.06 132.00 138.77 1c7c h PRO 58 Ca -0.39 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.58 1c7c h PRO 58 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1c7c h PRO 58 CO 0.96 0.23 -0.74 0.87 -0.23 0.00 0.00 178.00 179.10 1c7c h LYS 59 N 0.00 0.04 -0.30 0.86 1.57 -1.90 -1.64 116.57 115.21 1c7c h LYS 59 Ca -0.00 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1c7c h LYS 59 Cb 0.51 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1c7c h LYS 59 CO 0.03 0.76 0.16 0.28 -0.57 0.00 0.00 179.45 180.11 1c7c h VAL 60 N 0.03 1.14 -0.75 0.50 2.07 -1.71 -0.09 116.25 117.43 1c7c h VAL 60 Ca -0.01 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 1c7c h VAL 60 Cb 1.30 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1c7c h VAL 60 CO 0.10 0.14 0.37 0.11 0.02 0.00 0.00 177.57 178.30 1c7c h LYS 61 N 0.36 1.09 -0.23 1.57 1.57 -1.37 0.11 116.57 119.66 1c7c h LYS 61 Ca 0.11 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1c7c h LYS 61 Cb 0.08 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1c7c h LYS 61 CO -0.02 0.84 0.00 0.00 -0.57 0.00 0.00 179.45 179.71 1c7c h ALA 62 N 1.18 0.32 -0.59 3.86 0.00 -1.15 -1.72 119.26 121.15 1c7c h ALA 62 Ca 0.26 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1c7c h ALA 62 Cb 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1c7c h ALA 62 CO -0.03 0.04 0.01 1.25 0.00 0.00 0.00 179.25 180.52 1c7c h HIS 63 N 0.19 1.11 -0.74 0.00 -0.00 -0.79 -2.03 115.15 112.90 1c7c h HIS 63 Ca 0.07 -0.18 0.07 0.00 -0.00 0.00 0.00 60.37 60.33 1c7c h HIS 63 Cb 0.40 -0.29 -0.06 0.00 -0.00 0.00 0.00 27.41 27.45 1c7c h HIS 63 CO 0.03 0.98 0.42 0.78 -0.00 0.00 0.00 177.93 180.14 1c7c h GLY 64 N 1.00 1.10 1.02 5.26 0.00 -0.68 -1.06 103.07 109.71 1c7c h GLY 64 Ca 0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1c7c h GLY 64 CO 0.03 0.16 0.38 1.70 0.00 0.00 0.00 176.54 178.81 1c7c h LYS 65 N 0.75 1.09 -0.29 4.80 3.64 -0.80 -1.53 116.57 124.23 1c7c h LYS 65 Ca 0.33 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1c7c h LYS 65 Cb 0.23 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1c7c h LYS 65 CO -0.20 0.84 0.15 -0.22 -2.27 0.00 0.00 179.45 177.75 1c7c h LYS 66 N 1.07 0.40 0.04 1.90 3.64 -0.68 -0.50 116.57 122.44 1c7c h LYS 66 Ca 0.26 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1c7c h LYS 66 Cb 0.10 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1c7c h LYS 66 CO -0.04 0.35 -0.02 0.28 -2.27 0.00 0.00 179.45 177.76 1c7c h VAL 67 N 0.34 1.12 0.00 2.00 2.07 -0.98 -1.77 116.25 119.04 1c7c h VAL 67 Ca 0.10 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1c7c h VAL 67 Cb 0.07 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1c7c h VAL 67 CO -0.02 0.13 -0.15 0.25 0.02 0.00 0.00 177.57 177.80 1c7c h LEU 68 N -0.28 0.00 -0.34 2.57 5.85 -1.31 -1.17 115.31 120.63 1c7c h LEU 68 Ca -0.01 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1c7c h LEU 68 Cb 0.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1c7c h LEU 68 CO 0.01 0.15 0.19 1.23 -0.34 0.00 0.00 178.44 179.68 1c7c h GLY 69 N 2.27 0.46 1.65 3.75 0.00 -0.85 0.16 103.07 110.52 1c7c h GLY 69 Ca -0.00 -0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.07 1c7c h GLY 69 CO 0.02 0.12 -0.39 0.00 0.00 0.00 0.00 176.54 176.29 1c7c h ALA 70 N 1.16 1.01 -0.55 3.60 0.00 -0.79 -2.42 119.26 121.27 1c7c h ALA 70 Ca 0.14 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1c7c h ALA 70 Cb 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1c7c h ALA 70 CO -0.07 0.61 0.12 0.35 0.00 0.00 0.00 179.25 180.26 1c7c h PHE 71 N 0.32 0.93 -0.48 0.00 3.57 -0.98 -2.59 116.94 117.71 1c7c h PHE 71 Ca 0.03 -0.12 0.04 0.00 3.53 0.00 0.00 57.97 61.45 1c7c h PHE 71 Cb 0.84 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 1c7c h PHE 71 CO 0.02 0.81 0.25 1.03 -2.23 0.00 0.00 178.31 178.19 1c7c h SER 72 N 0.78 0.37 0.51 0.41 0.87 -0.34 -0.48 113.55 115.67 1c7c h SER 72 Ca 0.17 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1c7c h SER 72 Cb 0.36 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1c7c h SER 72 CO 0.00 0.26 -0.11 0.44 -0.53 0.00 0.00 176.83 176.89 1c7c h ASP 73 N 0.49 0.00 0.50 6.23 3.32 -1.30 -1.78 116.42 123.88 1c7c h ASP 73 Ca 0.20 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.12 1c7c h ASP 73 Cb 0.10 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1c7c h ASP 73 CO -0.13 0.11 -0.62 1.23 -1.72 0.00 0.00 179.24 178.11 1c7c h GLY 74 N 1.13 0.12 1.85 2.75 0.00 -0.70 -2.42 103.07 105.81 1c7c h GLY 74 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1c7c h GLY 74 CO 0.01 0.14 0.00 1.04 0.00 0.00 0.00 176.54 177.74 1c7c n LEU 75 N -3.83 0.00 0.07 3.11 4.77 -0.67 -1.47 117.00 118.97 1c7c n LEU 75 Ca -0.02 0.43 0.13 0.00 -0.03 0.00 0.00 56.01 56.52 1c7c n LEU 75 Cb 0.62 -0.43 0.36 0.00 -2.33 0.00 0.00 43.42 41.64 1c7c n LEU 75 CO 0.43 -0.15 0.70 0.00 -1.33 0.00 0.00 177.39 177.04 1c7c n ALA 76 N -1.43 2.58 -2.51 -1.18 0.00 -0.91 -4.20 120.51 112.87 1c7c n ALA 76 Ca 0.06 -0.13 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 1c7c n ALA 76 Cb 0.20 -1.35 0.03 0.00 0.00 0.00 0.00 19.45 18.33 1c7c n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1c7c n HIS 77 N -2.04 1.99 0.29 0.00 8.25 -0.54 -4.90 115.22 118.27 1c7c n HIS 77 Ca 0.05 -2.40 0.18 0.00 -0.26 0.00 0.00 57.72 55.29 1c7c n HIS 77 Cb 0.41 -0.27 0.91 0.00 1.12 0.00 0.00 29.99 32.16 1c7c n HIS 77 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1c7c h LEU 78 N 2.53 0.00 -0.03 2.41 5.85 -1.71 0.93 115.31 125.29 1c7c h LEU 78 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1c7c h LEU 78 Cb 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1c7c h LEU 78 CO 0.50 0.00 -0.34 0.47 -0.34 0.00 0.00 178.44 178.73 1c7c n ASP 79 N -3.18 0.38 -3.07 1.25 8.00 -1.26 0.29 116.55 118.96 1c7c n ASP 79 Ca -0.01 -0.09 -0.18 0.00 0.71 0.00 0.00 54.79 55.23 1c7c n ASP 79 Cb 0.32 0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 1c7c n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1c7c n ASN 80 N -1.44 -0.26 -0.17 -2.24 2.85 0.32 -3.22 115.26 111.09 1c7c n ASN 80 Ca 0.07 -3.04 -0.10 0.00 -0.11 0.00 0.00 54.58 51.40 1c7c n ASN 80 Cb 0.33 0.02 0.00 0.00 1.24 0.00 0.00 39.78 41.37 1c7c n ASN 80 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1c7c h LEU 81 N 3.44 0.83 -0.24 1.20 3.38 -1.74 -1.73 115.31 120.45 1c7c h LEU 81 Ca 0.03 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.72 1c7c h LEU 81 Cb 0.97 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1c7c h LEU 81 CO 0.41 0.92 0.12 0.11 0.09 0.00 0.00 178.44 180.10 1c7c h LYS 82 N 0.71 0.24 -0.39 1.13 1.57 -1.91 -0.40 116.57 117.52 1c7c h LYS 82 Ca 0.14 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 1c7c h LYS 82 Cb 0.49 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1c7c h LYS 82 CO 0.02 0.16 -0.24 0.78 -0.57 0.00 0.00 179.45 179.61 1c7c h GLY 83 N 0.25 0.86 1.01 3.86 0.00 -1.94 -2.07 103.07 105.04 1c7c h GLY 83 Ca 0.10 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 1c7c h GLY 83 CO -0.07 0.68 0.39 -0.84 0.00 0.00 0.00 176.54 176.70 1c7c h THR 84 N 0.69 1.23 -0.53 4.70 2.02 -0.91 -3.18 112.91 116.94 1c7c h THR 84 Ca 0.09 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1c7c h THR 84 Cb 0.76 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1c7c h THR 84 CO 0.06 0.27 0.00 0.49 0.37 0.00 0.00 175.52 176.71 1c7c n PHE 85 N -4.42 0.70 -0.07 3.16 3.72 -0.19 -4.63 117.46 115.72 1c7c n PHE 85 Ca 0.07 -0.35 -0.07 0.00 -0.05 0.00 0.00 57.45 57.05 1c7c n PHE 85 Cb 0.11 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.65 1c7c n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1c7c h ALA 86 N 4.45 0.08 -0.56 4.37 0.00 -1.35 0.15 119.26 126.40 1c7c h ALA 86 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1c7c h ALA 86 Cb 0.99 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1c7c h ALA 86 CO 0.00 -0.55 0.19 1.15 0.00 0.00 0.00 179.25 180.05 1c7c h THR 87 N -0.11 1.23 -0.04 0.00 2.02 -1.84 -2.02 112.91 112.15 1c7c h THR 87 Ca 0.15 -0.77 -0.07 0.00 0.77 0.00 0.00 66.41 66.49 1c7c h THR 87 Cb 0.34 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1c7c h THR 87 CO -0.36 0.29 -0.32 -0.07 0.37 0.00 0.00 175.52 175.43 1c7c h LEU 88 N 0.78 0.07 0.02 2.58 3.38 -1.78 -1.87 115.31 118.49 1c7c h LEU 88 Ca 0.18 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1c7c h LEU 88 Cb 0.26 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1c7c h LEU 88 CO -0.01 0.39 -0.01 -1.28 0.09 0.00 0.00 178.44 177.62 1c7c h SER 89 N 0.06 -0.02 -0.87 -0.43 0.87 -0.13 -0.89 113.55 112.14 1c7c h SER 89 Ca 0.01 -0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.57 1c7c h SER 89 Cb 0.60 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.52 1c7c h SER 89 CO 0.04 0.01 0.56 -0.33 -0.53 0.00 0.00 176.83 176.59 1c7c h GLU 90 N -0.05 1.06 -0.65 2.24 5.08 -1.28 -1.26 114.58 119.72 1c7c h GLU 90 Ca -0.00 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1c7c h GLU 90 Cb 0.05 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 1c7c h GLU 90 CO 0.00 0.70 0.40 1.25 -1.00 0.00 0.00 179.01 180.36 1c7c h LEU 91 N 1.10 0.78 -0.85 1.33 5.85 -1.08 0.07 115.31 122.51 1c7c h LEU 91 Ca 0.35 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.89 1c7c h LEU 91 Cb 0.01 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1c7c h LEU 91 CO -0.12 0.61 -0.56 0.45 -0.34 0.00 0.00 178.44 178.48 1c7c h HIS 92 N 0.89 0.05 0.08 1.25 3.86 -0.56 -1.76 115.15 118.96 1c7c h HIS 92 Ca 0.23 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1c7c h HIS 92 Cb -0.03 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.43 1c7c h HIS 92 CO -0.02 0.60 -0.04 0.00 0.86 0.00 0.00 177.93 179.33 1c7c h ASP 94 N -0.87 0.82 0.00 0.00 3.32 -1.04 -2.98 116.42 115.67 1c7c h ASP 94 Ca -0.01 -0.49 -0.36 0.00 0.02 0.00 0.00 57.03 56.19 1c7c h ASP 94 Cb 0.08 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.33 1c7c h ASP 94 CO 0.02 1.27 -2.37 0.29 -1.72 0.00 0.00 179.24 176.73 1c7c n LYS 95 N -3.94 0.60 0.04 3.56 4.76 -0.78 -4.69 118.16 117.71 1c7c n LYS 95 Ca -0.05 0.14 0.10 0.00 -2.87 0.00 0.00 58.31 55.63 1c7c n LYS 95 Cb 0.68 -1.48 -0.08 0.00 -1.84 0.00 0.00 35.03 32.31 1c7c n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1c7c n LEU 96 N -3.25 0.45 -3.55 -0.35 4.77 -0.73 -4.98 117.00 109.36 1c7c n LEU 96 Ca -0.43 0.18 -0.21 0.00 -0.03 0.00 0.00 56.01 55.52 1c7c n LEU 96 Cb 0.95 -0.01 0.08 0.00 -2.33 0.00 0.00 43.42 42.11 1c7c n LEU 96 CO 0.23 -0.06 0.16 1.41 -1.33 0.00 0.00 177.39 177.80 1c7c n HIS 97 N -2.51 -2.49 -3.24 -1.77 8.25 -0.54 -4.97 115.22 107.94 1c7c n HIS 97 Ca -0.03 0.97 -0.40 0.00 -0.26 0.00 0.00 57.72 58.00 1c7c n HIS 97 Cb 0.60 -4.97 -0.07 0.00 1.12 0.00 0.00 29.99 26.67 1c7c n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1c7c s VAL 98 N -3.36 5.08 0.09 1.59 1.01 -0.41 -5.03 120.40 119.37 1c7c s VAL 98 Ca 0.30 0.91 -0.31 0.00 0.00 0.00 0.00 61.98 62.88 1c7c s VAL 98 Cb -0.13 -3.83 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 1c7c s VAL 98 CO 0.74 0.11 1.89 -0.67 0.00 0.00 0.00 175.10 177.18 1c7c n ASP 99 N 5.33 4.08 0.31 3.32 -0.08 -1.26 -4.75 116.55 123.50 1c7c n ASP 99 Ca -0.04 0.95 0.20 0.00 -1.51 0.00 0.00 54.79 54.39 1c7c n ASP 99 Cb 0.50 -1.53 1.07 0.00 2.34 0.00 0.00 41.12 43.49 1c7c n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1c7c h PRO 100 N 9.36 0.00 -0.58 -0.67 0.11 -1.97 -1.12 132.00 137.13 1c7c h PRO 100 Ca -0.48 0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.79 1c7c h PRO 100 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1c7c h PRO 100 CO 0.95 0.00 0.41 1.49 -0.21 0.00 0.00 178.00 180.64 1c7c h GLU 101 N 0.00 0.05 -0.07 1.05 4.57 -1.99 -1.02 114.58 117.17 1c7c h GLU 101 Ca 0.00 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1c7c h GLU 101 Cb 0.09 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1c7c h GLU 101 CO 0.00 0.03 -0.00 -0.91 -1.18 0.00 0.00 179.01 176.95 1c7c h ASN 102 N 0.05 0.09 -0.01 1.04 2.35 -1.57 -1.72 115.58 115.81 1c7c h ASN 102 Ca 0.28 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.92 1c7c h ASN 102 Cb 1.04 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.37 1c7c h ASN 102 CO -0.02 0.12 -0.29 -0.26 -1.65 0.00 0.00 177.43 175.32 1c7c h PHE 103 N 0.10 0.52 -0.10 1.19 0.04 -1.37 -0.87 116.94 116.45 1c7c h PHE 103 Ca 0.03 -0.12 -0.21 0.00 2.80 0.00 0.00 57.97 60.47 1c7c h PHE 103 Cb 0.08 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.11 1c7c h PHE 103 CO 0.00 0.71 -0.79 0.00 -0.60 0.00 0.00 178.31 177.63 1c7c h ARG 104 N 0.40 0.59 -0.63 1.51 3.08 -1.38 -2.13 114.38 115.83 1c7c h ARG 104 Ca 0.05 -0.50 -0.02 0.00 0.07 0.00 0.00 59.98 59.58 1c7c h ARG 104 Cb 0.72 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.85 1c7c h ARG 104 CO 0.06 1.13 0.31 -0.07 -1.07 0.00 0.00 179.97 180.32 1c7c h LEU 105 N 0.40 0.82 -1.00 3.04 3.38 -1.21 -2.11 115.31 118.62 1c7c h LEU 105 Ca -0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1c7c h LEU 105 Cb 1.40 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 1c7c h LEU 105 CO 0.15 0.72 0.42 0.25 0.09 0.00 0.00 178.44 180.07 1c7c h LEU 106 N 0.86 1.01 -0.35 1.67 5.85 -1.10 -2.35 115.31 120.91 1c7c h LEU 106 Ca 0.22 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.88 1c7c h LEU 106 Cb 0.11 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 1c7c h LEU 106 CO -0.03 0.82 0.13 1.23 -0.34 0.00 0.00 178.44 180.25 1c7c h GLY 107 N 1.16 0.44 1.00 3.75 0.00 -1.03 0.84 103.07 109.23 1c7c h GLY 107 Ca 0.28 -0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.54 1c7c h GLY 107 CO -0.04 0.03 0.37 0.50 0.00 0.00 0.00 176.54 177.40 1c7c h LYS 108 N 0.28 0.73 -0.51 4.80 1.57 -1.08 -1.84 116.57 120.52 1c7c h LYS 108 Ca 0.16 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.79 1c7c h LYS 108 Cb 0.13 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1c7c h LYS 108 CO -0.16 0.49 -0.07 0.28 -0.57 0.00 0.00 179.45 179.42 1c7c h VAL 109 N 0.76 1.27 -1.01 0.50 2.07 -1.13 -2.32 116.25 116.39 1c7c h VAL 109 Ca 0.20 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.55 1c7c h VAL 109 Cb -0.09 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1c7c h VAL 109 CO -0.04 0.42 0.66 0.25 0.02 0.00 0.00 177.57 178.88 1c7c h LEU 110 N 0.80 1.13 -0.41 2.57 5.85 -0.54 0.26 115.31 124.97 1c7c h LEU 110 Ca 0.13 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1c7c h LEU 110 Cb 0.62 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1c7c h LEU 110 CO 0.04 0.80 0.15 0.58 -0.34 0.00 0.00 178.44 179.67 1c7c h VAL 111 N 1.32 1.20 -0.91 1.05 2.07 -1.13 -0.51 116.25 119.34 1c7c h VAL 111 Ca 0.38 -0.65 0.06 0.00 0.82 0.00 0.00 66.70 67.32 1c7c h VAL 111 Cb -0.08 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 1c7c h VAL 111 CO -0.10 0.23 0.57 0.00 0.02 0.00 0.00 177.57 178.30 1c7c h VAL 113 N 1.05 1.26 -0.78 0.00 2.07 -0.52 -0.69 116.25 118.64 1c7c h VAL 113 Ca 0.39 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 1c7c h VAL 113 Cb 0.15 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1c7c h VAL 113 CO -0.17 0.38 0.30 -0.07 0.02 0.00 0.00 177.57 178.03 1c7c h LEU 114 N 0.72 1.08 -0.97 2.57 3.38 -0.80 0.30 115.31 121.59 1c7c h LEU 114 Ca 0.14 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1c7c h LEU 114 Cb 0.53 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1c7c h LEU 114 CO 0.03 0.96 0.03 0.00 0.09 0.00 0.00 178.44 179.55 1c7c h ALA 115 N 1.19 1.15 -0.33 1.53 0.00 -0.92 -0.20 119.26 121.67 1c7c h ALA 115 Ca 0.26 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1c7c h ALA 115 Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1c7c h ALA 115 CO -0.02 0.55 -0.31 1.25 0.00 0.00 0.00 179.25 180.72 1c7c h HIS 116 N 0.73 0.95 -0.21 0.00 -0.00 -0.61 -0.58 115.15 115.43 1c7c h HIS 116 Ca 0.15 -0.28 -0.16 0.00 -0.00 0.00 0.00 60.37 60.08 1c7c h HIS 116 Cb 0.41 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 1c7c h HIS 116 CO 0.02 1.06 -0.49 1.25 -0.00 0.00 0.00 177.93 179.77 1c7c h HIS 117 N 0.57 0.89 0.00 5.26 6.17 -0.74 -3.35 115.15 123.96 1c7c h HIS 117 Ca 0.05 -0.34 0.00 0.00 0.71 0.00 0.00 60.37 60.80 1c7c h HIS 117 Cb 0.89 -0.16 0.00 0.00 2.52 0.00 0.00 27.41 30.66 1c7c h HIS 117 CO 0.07 1.13 -1.05 1.19 0.71 0.00 0.00 177.93 179.97 1c7c n PHE 118 N -4.15 0.00 -0.29 5.26 3.72 -0.11 -5.04 117.46 116.86 1c7c n PHE 118 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1c7c n PHE 118 Cb 0.59 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 1c7c n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1c7c n GLY 119 N 1.48 3.39 0.31 1.37 0.00 -0.23 -2.73 105.19 108.79 1c7c n GLY 119 Ca 0.03 -0.10 0.19 0.00 0.00 0.00 0.00 46.02 46.15 1c7c n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1c7c h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.96 -1.01 116.57 117.31 1c7c h LYS 120 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 1c7c h LYS 120 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1c7c h LYS 120 CO 0.00 0.02 -0.20 1.49 -2.00 0.00 0.00 179.45 178.76 1c7c h GLU 121 N 0.00 0.00 -3.91 0.07 4.81 -1.91 -3.29 114.58 110.35 1c7c h GLU 121 Ca -0.00 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.51 1c7c h GLU 121 Cb 0.18 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.48 1c7c h GLU 121 CO 0.00 0.20 2.73 0.34 -0.73 0.00 0.00 179.01 181.55 1c7c n PHE 122 N -3.47 3.40 -1.17 0.92 7.35 -0.38 -4.94 117.46 119.17 1c7c n PHE 122 Ca -0.00 -2.92 -0.30 0.00 -0.76 0.00 0.00 57.45 53.47 1c7c n PHE 122 Cb 0.37 -2.36 0.15 0.00 0.35 0.00 0.00 39.48 37.99 1c7c n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1c7c s THR 123 N 2.30 2.53 0.20 -2.13 -4.23 -1.24 -4.68 115.64 108.39 1c7c s THR 123 Ca 0.45 0.17 -0.10 0.00 -1.18 0.00 0.00 61.69 61.02 1c7c s THR 123 Cb 0.12 -2.64 0.14 0.00 1.34 0.00 0.00 72.50 71.47 1c7c s THR 123 CO -0.05 -0.22 1.72 -0.65 -0.54 0.00 0.00 174.62 174.88 1c7c h PRO 124 N -1.65 0.30 -0.38 3.99 0.11 -1.93 0.12 132.00 132.56 1c7c h PRO 124 Ca -0.51 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 1c7c h PRO 124 Cb 1.29 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1c7c h PRO 124 CO 0.55 0.20 0.00 -1.35 -0.21 0.00 0.00 178.00 177.18 1c7c h PRO 125 N 0.30 0.59 -0.38 1.05 0.11 -1.99 -1.60 132.00 130.08 1c7c h PRO 125 Ca 0.29 -0.13 -0.03 0.00 0.11 0.00 0.00 66.00 66.24 1c7c h PRO 125 Cb 0.40 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 1c7c h PRO 125 CO -0.35 0.62 0.14 0.28 -0.21 0.00 0.00 178.00 178.48 1c7c h VAL 126 N 0.56 1.20 -0.48 3.15 2.07 -1.75 -2.36 116.25 118.64 1c7c h VAL 126 Ca 0.12 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 67.05 1c7c h VAL 126 Cb 0.36 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1c7c h VAL 126 CO 0.01 0.23 0.22 -0.61 0.02 0.00 0.00 177.57 177.43 1c7c h GLN 127 N 0.48 0.41 -0.45 1.57 4.15 -0.50 -1.87 115.11 118.90 1c7c h GLN 127 Ca 0.13 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 1c7c h GLN 127 Cb 0.22 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 1c7c h GLN 127 CO -0.01 0.27 0.26 0.00 -1.93 0.00 0.00 178.83 177.43 1c7c h ALA 128 N 1.29 1.63 -0.22 3.38 0.00 -1.14 0.28 119.26 124.48 1c7c h ALA 128 Ca 0.22 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1c7c h ALA 128 Cb 0.17 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1c7c h ALA 128 CO -0.18 0.33 -0.33 0.00 0.00 0.00 0.00 179.25 179.06 1c7c h ALA 129 N 1.68 0.34 -0.19 0.00 0.00 -0.90 -2.61 119.26 117.59 1c7c h ALA 129 Ca 0.16 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1c7c h ALA 129 Cb -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1c7c h ALA 129 CO -0.03 0.39 -0.04 1.88 0.00 0.00 0.00 179.25 181.45 1c7c h TYR 130 N 0.31 0.28 -0.58 0.00 0.05 -0.53 -2.30 116.97 114.21 1c7c h TYR 130 Ca 0.02 -0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 1c7c h TYR 130 Cb 0.92 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.54 1c7c h TYR 130 CO 0.08 0.33 0.19 1.96 -1.05 0.00 0.00 178.16 179.67 1c7c h GLN 131 N 0.27 0.86 -0.40 4.88 1.08 -0.22 0.10 115.11 121.69 1c7c h GLN 131 Ca 0.06 -0.16 -0.06 0.00 -1.45 0.00 0.00 58.65 57.05 1c7c h GLN 131 Cb 0.26 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1c7c h GLN 131 CO 0.01 0.74 0.03 0.87 -0.95 0.00 0.00 178.83 179.53 1c7c h LYS 132 N 0.84 0.69 -0.25 1.46 1.57 -1.08 -2.23 116.57 117.58 1c7c h LYS 132 Ca 0.19 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1c7c h LYS 132 Cb 0.24 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1c7c h LYS 132 CO -0.01 0.76 -0.03 0.28 -0.57 0.00 0.00 179.45 179.88 1c7c h VAL 133 N 0.52 1.27 -0.21 0.50 2.07 -0.99 -0.45 116.25 118.97 1c7c h VAL 133 Ca 0.12 -1.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.54 1c7c h VAL 133 Cb 0.44 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1c7c h VAL 133 CO 0.02 0.31 -0.27 -0.37 0.02 0.00 0.00 177.57 177.28 1c7c h VAL 134 N 0.22 1.26 -0.65 2.57 -1.51 -0.81 -0.63 116.25 116.70 1c7c h VAL 134 Ca 0.07 -1.27 -0.08 0.00 -1.23 0.00 0.00 66.70 64.19 1c7c h VAL 134 Cb 0.48 1.40 -0.03 0.00 -2.13 0.00 0.00 31.29 31.02 1c7c h VAL 134 CO 0.02 0.40 0.08 0.00 -1.23 0.00 0.00 177.57 176.84 1c7c h ALA 135 N 1.36 0.93 -0.57 5.19 0.00 -1.29 -1.81 119.26 123.07 1c7c h ALA 135 Ca 0.05 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1c7c h ALA 135 Cb 0.67 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1c7c h ALA 135 CO 0.05 0.66 0.02 0.78 0.00 0.00 0.00 179.25 180.76 1c7c h GLY 136 N 1.04 1.04 1.23 0.00 0.00 -0.54 -0.76 103.07 105.08 1c7c h GLY 136 Ca 0.19 -0.72 -0.18 0.00 0.00 0.00 0.00 47.33 46.63 1c7c h GLY 136 CO 0.02 0.67 -0.52 -2.08 0.00 0.00 0.00 176.54 174.62 1c7c h VAL 137 N 0.89 1.28 -0.52 4.60 2.07 -1.04 -1.26 116.25 122.27 1c7c h VAL 137 Ca 0.17 -1.71 -0.09 0.00 0.82 0.00 0.00 66.70 65.88 1c7c h VAL 137 Cb 0.49 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1c7c h VAL 137 CO 0.02 0.56 -0.04 0.00 0.02 0.00 0.00 177.57 178.13 1c7c h ALA 138 N 0.77 0.94 -0.56 1.67 0.00 -1.17 -0.88 119.26 120.04 1c7c h ALA 138 Ca 0.02 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1c7c h ALA 138 Cb 1.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1c7c h ALA 138 CO 0.11 0.63 -0.06 -0.91 0.00 0.00 0.00 179.25 179.02 1c7c h ASN 139 N 0.84 1.01 -0.73 0.00 2.35 -1.03 -1.94 115.58 116.08 1c7c h ASN 139 Ca 0.15 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1c7c h ASN 139 Cb 0.55 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 1c7c h ASN 139 CO 0.03 1.10 0.40 0.00 -1.65 0.00 0.00 177.43 177.31 1c7c h ALA 140 N 1.00 0.94 0.00 -0.83 0.00 -1.02 -2.36 119.26 116.98 1c7c h ALA 140 Ca 0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1c7c h ALA 140 Cb 0.61 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1c7c h ALA 140 CO 0.04 0.45 -0.19 -0.07 0.00 0.00 0.00 179.25 179.47 1c7c h LEU 141 N 1.01 0.00 -0.83 0.00 3.38 -0.97 -2.97 115.31 114.94 1c7c h LEU 141 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1c7c h LEU 141 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1c7c h LEU 141 CO -0.04 0.19 -0.19 0.00 0.09 0.00 0.00 178.44 178.50 1c7c n ALA 142 N -2.22 2.94 0.01 1.53 0.00 -0.75 -4.44 120.51 117.59 1c7c n ALA 142 Ca 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 53.44 52.94 1c7c n ALA 142 Cb 0.40 -1.07 0.24 0.00 0.00 0.00 0.00 19.45 19.02 1c7c n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1c7c h HIS 143 N 2.02 0.53 -0.64 0.00 6.17 -1.26 -2.86 115.15 119.10 1c7c h HIS 143 Ca 0.00 -0.09 0.00 0.00 0.71 0.00 0.00 60.37 60.99 1c7c h HIS 143 Cb 0.58 -0.14 0.00 0.00 2.52 0.00 0.00 27.41 30.37 1c7c h HIS 143 CO 0.00 0.64 0.00 1.63 0.71 0.00 0.00 177.93 180.91 1c7c n LYS 144 N -4.17 3.38 -2.15 5.26 4.76 -1.26 -4.92 118.16 119.05 1c7c n LYS 144 Ca 0.00 -2.68 -0.39 0.00 -2.87 0.00 0.00 58.31 52.37 1c7c n LYS 144 Cb 0.35 -1.79 -0.01 0.00 -1.84 0.00 0.00 35.03 31.74 1c7c n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1c7c s TYR 145 N -1.66 2.93 0.00 2.13 1.51 -1.08 -4.77 117.35 116.42 1c7c s TYR 145 Ca 0.48 1.47 0.00 0.00 -1.01 0.00 0.00 57.07 58.02 1c7c s TYR 145 Cb 0.30 -3.56 0.00 0.00 -0.11 0.00 0.00 41.96 38.59 1c7c s TYR 145 CO 0.26 -1.77 0.00 -2.39 -1.11 0.00 0.00 175.55 170.54