#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c7b s HIS 2 N 0.00 3.27 0.02 1.12 5.04 -1.26 -4.44 115.29 119.03 1c7b s HIS 2 Ca 0.00 0.17 0.03 0.00 -1.54 0.00 0.00 55.06 53.72 1c7b s HIS 2 Cb 0.00 -2.32 -0.02 0.00 0.04 0.00 0.00 32.58 30.28 1c7b s HIS 2 CO 0.00 -0.04 -0.09 -0.51 -2.34 0.00 0.00 174.74 171.75 1c7b s LEU 3 N 1.39 2.13 0.72 8.88 1.43 -1.26 -5.09 118.68 126.88 1c7b s LEU 3 Ca 0.07 -0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 52.70 1c7b s LEU 3 Cb -0.15 -0.38 0.03 0.00 0.03 0.00 0.00 46.19 45.72 1c7b s LEU 3 CO 0.08 -0.01 1.11 0.42 0.23 0.00 0.00 176.35 178.17 1c7b s THR 4 N -0.72 3.20 0.35 5.49 -4.23 -1.26 -4.76 115.64 113.72 1c7b s THR 4 Ca -0.01 0.48 0.14 0.00 -1.18 0.00 0.00 61.69 61.12 1c7b s THR 4 Cb -0.06 -2.98 0.35 0.00 1.34 0.00 0.00 72.50 71.15 1c7b s THR 4 CO 0.00 -0.42 1.73 -0.65 -0.54 0.00 0.00 174.62 174.74 1c7b h PRO 5 N -0.52 0.46 -0.35 3.99 0.11 -2.01 0.16 132.00 133.84 1c7b h PRO 5 Ca -0.45 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1c7b h PRO 5 Cb 1.24 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1c7b h PRO 5 CO 0.52 0.30 -0.14 1.05 -0.21 0.00 0.00 178.00 179.52 1c7b h GLU 6 N 0.47 0.71 -0.69 1.05 9.09 -2.00 -1.61 114.58 121.61 1c7b h GLU 6 Ca 0.65 -0.30 -0.07 0.00 0.05 0.00 0.00 59.36 59.69 1c7b h GLU 6 Cb 1.43 -0.03 -0.03 0.00 -1.65 0.00 0.00 28.75 28.47 1c7b h GLU 6 CO -0.43 0.90 0.15 0.93 0.05 0.00 0.00 179.01 180.61 1c7b h GLU 7 N 0.49 1.10 -0.52 1.06 5.08 -1.52 -2.22 114.58 118.05 1c7b h GLU 7 Ca 0.08 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.10 1c7b h GLU 7 Cb 0.67 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1c7b h GLU 7 CO 0.05 0.98 0.05 -0.22 -1.00 0.00 0.00 179.01 178.86 1c7b h LYS 8 N 1.04 0.88 -0.70 2.33 3.64 -0.56 -1.86 116.57 121.34 1c7b h LYS 8 Ca 0.21 -0.26 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1c7b h LYS 8 Cb 0.38 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1c7b h LYS 8 CO 0.00 0.89 0.26 1.03 -2.27 0.00 0.00 179.45 179.36 1c7b h SER 9 N 0.76 0.99 -0.70 4.20 0.87 -1.22 -1.33 113.55 117.12 1c7b h SER 9 Ca 0.15 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.49 1c7b h SER 9 Cb 0.46 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 1c7b h SER 9 CO 0.02 0.91 0.31 0.00 -0.53 0.00 0.00 176.83 177.54 1c7b h ALA 10 N 1.12 1.19 0.04 6.23 0.00 -1.20 -0.50 119.26 126.14 1c7b h ALA 10 Ca 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1c7b h ALA 10 Cb 0.24 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1c7b h ALA 10 CO -0.02 0.60 -0.02 0.28 0.00 0.00 0.00 179.25 180.09 1c7b h VAL 11 N 1.03 1.13 -0.39 0.00 2.07 -0.93 -3.02 116.25 116.14 1c7b h VAL 11 Ca 0.24 -0.56 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 1c7b h VAL 11 Cb 0.16 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1c7b h VAL 11 CO -0.03 0.14 -0.20 0.71 0.02 0.00 0.00 177.57 178.21 1c7b h THR 12 N -0.30 1.27 -0.42 2.57 1.35 -1.07 -2.03 112.91 114.28 1c7b h THR 12 Ca -0.01 -1.29 -0.05 0.00 -0.55 0.00 0.00 66.41 64.51 1c7b h THR 12 Cb 0.27 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 67.87 1c7b h THR 12 CO 0.01 0.43 0.06 0.00 -0.25 0.00 0.00 175.52 175.77 1c7b h ALA 13 N 1.12 0.56 -0.47 6.62 0.00 -1.13 -1.97 119.26 123.99 1c7b h ALA 13 Ca 0.10 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1c7b h ALA 13 Cb 0.70 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1c7b h ALA 13 CO 0.05 0.29 -0.13 1.25 0.00 0.00 0.00 179.25 180.71 1c7b h LEU 14 N 0.56 0.88 -1.54 0.00 5.85 -1.49 -3.11 115.31 116.45 1c7b h LEU 14 Ca 0.13 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 1c7b h LEU 14 Cb 0.40 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1c7b h LEU 14 CO 0.01 1.01 -0.24 -0.25 -0.34 0.00 0.00 178.44 178.63 1c7b h TRP 15 N 0.78 0.00 0.00 1.25 2.91 -1.03 -0.92 115.95 118.95 1c7b h TRP 15 Ca 0.12 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.14 1c7b h TRP 15 Cb 0.65 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.30 1c7b h TRP 15 CO 0.04 0.24 0.00 0.78 -1.03 0.00 0.00 178.44 178.47 1c7b h GLY 16 N 0.86 0.00 -0.82 2.65 0.00 -1.29 -1.36 103.07 103.11 1c7b h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1c7b h GLY 16 CO 0.03 0.00 -0.31 0.28 0.00 0.00 0.00 176.54 176.54 1c7b n LYS 17 N -2.78 1.35 -2.98 4.80 5.02 -0.35 -4.96 118.16 118.27 1c7b n LYS 17 Ca -0.02 -1.03 -0.40 0.00 -2.02 0.00 0.00 58.31 54.84 1c7b n LYS 17 Cb 0.08 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.56 1c7b n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1c7b s VAL 18 N -2.37 4.70 -0.63 -0.18 1.01 -0.51 -5.01 120.40 117.41 1c7b s VAL 18 Ca 0.23 1.64 -0.25 0.00 0.00 0.00 0.00 61.98 63.60 1c7b s VAL 18 Cb 0.19 -4.12 0.04 0.00 0.00 0.00 0.00 36.38 32.49 1c7b s VAL 18 CO 0.50 0.38 1.09 0.21 0.00 0.00 0.00 175.10 177.28 1c7b s ASN 19 N -0.15 6.28 0.34 3.32 3.84 -1.26 -4.91 114.94 122.40 1c7b s ASN 19 Ca 0.38 -0.42 0.02 0.00 0.21 0.00 0.00 52.86 53.05 1c7b s ASN 19 Cb -0.21 -2.49 0.61 0.00 -0.55 0.00 0.00 41.25 38.61 1c7b s ASN 19 CO 0.23 -1.50 2.00 0.58 -2.79 0.00 0.00 177.10 175.63 1c7b h VAL 20 N 6.04 1.17 -0.26 -5.21 2.07 -1.95 -0.70 116.25 117.42 1c7b h VAL 20 Ca -0.27 -0.33 -0.19 0.00 0.82 0.00 0.00 66.70 66.73 1c7b h VAL 20 Cb 1.06 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1c7b h VAL 20 CO 1.18 0.17 -0.59 0.44 0.02 0.00 0.00 177.57 178.79 1c7b h ASP 21 N 0.88 0.96 -0.14 0.57 3.32 -1.91 0.46 116.42 120.55 1c7b h ASP 21 Ca 0.23 -0.53 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 1c7b h ASP 21 Cb -0.08 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.19 1c7b h ASP 21 CO -0.05 1.33 -0.04 -0.08 -1.72 0.00 0.00 179.24 178.68 1c7b h GLU 22 N 0.64 0.26 -0.42 3.56 4.81 -1.84 -1.85 114.58 119.74 1c7b h GLU 22 Ca 0.00 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.02 1c7b h GLU 22 Cb 1.20 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1c7b h GLU 22 CO 0.13 0.56 -0.19 0.28 -0.73 0.00 0.00 179.01 179.05 1c7b h VAL 23 N -0.05 1.27 0.06 0.32 2.07 -1.18 -0.61 116.25 118.12 1c7b h VAL 23 Ca 0.03 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 1c7b h VAL 23 Cb 0.47 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1c7b h VAL 23 CO 0.01 0.44 -0.04 1.23 0.02 0.00 0.00 177.57 179.23 1c7b h GLY 24 N 0.96 -0.10 0.78 2.17 0.00 -0.89 0.47 103.07 106.47 1c7b h GLY 24 Ca 0.10 0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.53 1c7b h GLY 24 CO 0.05 -0.05 0.60 -1.33 0.00 0.00 0.00 176.54 175.82 1c7b h GLY 25 N -0.11 1.40 0.94 4.60 0.00 -1.19 -1.75 103.07 106.97 1c7b h GLY 25 Ca -0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 46.76 1c7b h GLY 25 CO -0.00 0.34 -0.30 -2.09 0.00 0.00 0.00 176.54 174.48 1c7b h GLU 26 N 1.12 0.65 -0.34 4.80 4.57 -0.78 -1.69 114.58 122.90 1c7b h GLU 26 Ca 0.40 -0.36 -0.13 0.00 -1.18 0.00 0.00 59.36 58.08 1c7b h GLU 26 Cb 0.11 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1c7b h GLU 26 CO -0.15 0.97 -0.30 0.00 -1.18 0.00 0.00 179.01 178.35 1c7b h ALA 27 N 0.67 0.50 -0.38 2.92 0.00 -0.77 -0.73 119.26 121.47 1c7b h ALA 27 Ca 0.03 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 1c7b h ALA 27 Cb 0.88 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1c7b h ALA 27 CO 0.07 0.53 -0.29 1.25 0.00 0.00 0.00 179.25 180.81 1c7b h LEU 28 N 0.59 0.83 -0.47 0.00 5.85 -1.35 -0.77 115.31 119.99 1c7b h LEU 28 Ca 0.06 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 1c7b h LEU 28 Cb 0.87 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1c7b h LEU 28 CO 0.08 1.06 0.26 1.23 -0.34 0.00 0.00 178.44 180.73 1c7b h GLY 29 N 0.93 0.70 1.69 3.75 0.00 -1.18 -2.17 103.07 106.80 1c7b h GLY 29 Ca 0.08 -0.32 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 1c7b h GLY 29 CO 0.07 0.31 -0.38 3.21 0.00 0.00 0.00 176.54 179.74 1c7b h ARG 30 N 0.62 0.34 -0.41 4.80 3.08 -1.01 -1.85 114.38 119.95 1c7b h ARG 30 Ca 0.17 -0.16 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1c7b h ARG 30 Cb 0.05 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 1c7b h ARG 30 CO -0.03 0.68 0.06 1.25 -1.07 0.00 0.00 179.97 180.86 1c7b h LEU 31 N 0.29 -0.03 -1.11 3.04 5.85 -0.88 0.23 115.31 122.69 1c7b h LEU 31 Ca 0.03 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 1c7b h LEU 31 Cb 0.81 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1c7b h LEU 31 CO 0.06 0.02 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.82 1c7b h LEU 32 N 0.19 0.00 0.10 2.25 3.38 -0.97 -1.72 115.31 118.53 1c7b h LEU 32 Ca 0.20 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.98 1c7b h LEU 32 Cb 0.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.01 1c7b h LEU 32 CO -0.28 0.29 -0.88 0.58 0.09 0.00 0.00 178.44 178.24 1c7b h VAL 33 N 0.00 1.38 0.14 1.22 2.07 -0.95 -3.31 116.25 116.79 1c7b h VAL 33 Ca -0.00 -2.44 -0.28 0.00 0.82 0.00 0.00 66.70 64.80 1c7b h VAL 33 Cb 0.77 3.02 0.01 0.00 -1.52 0.00 0.00 31.29 33.57 1c7b h VAL 33 CO 0.04 0.66 -1.26 0.58 0.02 0.00 0.00 177.57 177.61 1c7b h VAL 34 N -0.51 1.46 -2.52 2.57 2.07 -0.57 -3.37 116.25 115.37 1c7b h VAL 34 Ca -0.18 -2.97 -0.60 0.00 0.82 0.00 0.00 66.70 63.77 1c7b h VAL 34 Cb 1.54 2.93 -0.41 0.00 -1.52 0.00 0.00 31.29 33.83 1c7b h VAL 34 CO 0.07 0.87 -0.69 -1.22 0.02 0.00 0.00 177.57 176.62 1c7b n TYR 35 N -3.58 2.50 0.30 1.57 4.01 -0.65 -4.99 117.16 116.33 1c7b n TYR 35 Ca -0.10 -4.05 0.12 0.00 -0.16 0.00 0.00 57.90 53.72 1c7b n TYR 35 Cb 1.03 -0.46 0.55 0.00 -0.31 0.00 0.00 39.34 40.15 1c7b n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1c7b h PRO 36 N 4.77 0.00 0.00 -0.72 0.13 -1.74 -1.47 132.00 132.96 1c7b h PRO 36 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 1c7b h PRO 36 Cb 0.75 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 1c7b h PRO 36 CO 0.69 0.00 -0.03 0.11 -0.23 0.00 0.00 178.00 178.54 1c7b h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.16 115.95 114.52 1c7b h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1c7b h TRP 37 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.47 1c7b h TRP 37 CO 0.00 0.03 0.00 0.25 0.09 0.00 0.00 178.44 178.81 1c7b n THR 38 N -3.29 1.05 0.43 0.12 -2.24 -0.55 -2.03 114.28 107.77 1c7b n THR 38 Ca -0.02 0.26 0.11 0.00 -2.27 0.00 0.00 64.05 62.13 1c7b n THR 38 Cb 0.17 -1.05 0.44 0.00 -2.10 0.00 0.00 70.33 67.79 1c7b n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c7b n GLN 39 N -1.46 0.14 0.28 -0.78 6.02 -0.44 -3.61 117.38 117.53 1c7b n GLN 39 Ca 0.04 0.37 0.18 0.00 -0.01 0.00 0.00 57.00 57.58 1c7b n GLN 39 Cb 0.14 -1.76 0.94 0.00 1.02 0.00 0.00 30.24 30.58 1c7b n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1c7b h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.62 0.05 114.38 111.83 1c7b h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1c7b h ARG 40 Cb 0.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.42 1c7b h ARG 40 CO 0.00 0.00 -0.47 1.19 0.10 0.00 0.00 179.97 180.79 1c7b n PHE 41 N -3.35 0.02 -1.29 4.08 3.72 -1.24 -4.46 117.46 114.94 1c7b n PHE 41 Ca -0.01 0.01 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 1c7b n PHE 41 Cb 0.27 -0.28 0.15 0.00 -0.94 0.00 0.00 39.48 38.67 1c7b n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1c7b n PHE 42 N -1.52 0.00 0.30 1.38 3.72 0.01 -4.74 117.46 116.60 1c7b n PHE 42 Ca 0.06 -1.06 0.16 0.00 -0.05 0.00 0.00 57.45 56.55 1c7b n PHE 42 Cb 0.34 -0.17 0.93 0.00 -0.94 0.00 0.00 39.48 39.64 1c7b n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1c7b h GLU 43 N 0.28 0.00 0.00 -1.08 4.39 -1.78 0.25 114.58 116.64 1c7b h GLU 43 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1c7b h GLU 43 Cb 1.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1c7b h GLU 43 CO 0.00 0.01 0.00 -1.13 -1.16 0.00 0.00 179.01 176.73 1c7b n SER 44 N -3.78 0.00 0.04 1.42 3.41 -1.26 -3.39 113.62 110.07 1c7b n SER 44 Ca -0.03 -0.33 0.13 0.00 -0.26 0.00 0.00 58.87 58.38 1c7b n SER 44 Cb 0.09 -0.20 0.41 0.00 -0.26 0.00 0.00 64.21 64.25 1c7b n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1c7b n PHE 45 N -1.20 0.39 0.00 7.33 3.01 0.08 -5.03 117.46 122.04 1c7b n PHE 45 Ca 0.15 0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.73 1c7b n PHE 45 Cb 0.18 -0.63 0.00 0.00 -0.01 0.00 0.00 39.48 39.02 1c7b n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1c7b n GLY 46 N 1.41 0.96 3.61 1.37 0.00 -1.22 -4.76 105.19 106.56 1c7b n GLY 46 Ca 0.06 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 1c7b n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1c7b s ASP 47 N -4.00 6.42 -0.15 1.61 2.15 -1.26 -4.85 116.67 116.59 1c7b s ASP 47 Ca 0.00 1.03 0.14 0.00 0.43 0.00 0.00 52.55 54.16 1c7b s ASP 47 Cb 0.00 -2.54 0.38 0.00 -0.30 0.00 0.00 42.92 40.46 1c7b s ASP 47 CO 0.00 -1.32 1.19 0.18 -0.17 0.00 0.00 175.17 175.05 1c7b n LEU 48 N 8.49 2.27 0.05 -1.34 4.77 -1.26 -4.26 117.00 125.71 1c7b n LEU 48 Ca 0.16 -3.35 -0.06 0.00 -0.03 0.00 0.00 56.01 52.74 1c7b n LEU 48 Cb 0.47 -0.41 0.12 0.00 -2.33 0.00 0.00 43.42 41.27 1c7b n LEU 48 CO 0.68 1.09 0.54 0.77 -1.33 0.00 0.00 177.39 179.13 1c7b h SER 49 N 0.76 0.43 -4.27 -1.43 4.64 -1.92 -3.44 113.55 108.31 1c7b h SER 49 Ca -0.03 -0.21 -0.30 0.00 -0.47 0.00 0.00 61.79 60.78 1c7b h SER 49 Cb 1.15 -0.12 -0.15 0.00 -0.31 0.00 0.00 62.40 62.97 1c7b h SER 49 CO 0.01 0.86 -0.69 0.42 -0.87 0.00 0.00 176.83 176.57 1c7b s THR 50 N -4.01 0.89 0.25 2.95 -4.23 -1.26 -5.02 115.64 105.22 1c7b s THR 50 Ca -0.06 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.43 1c7b s THR 50 Cb 0.12 -1.95 0.23 0.00 1.34 0.00 0.00 72.50 72.24 1c7b s THR 50 CO 0.81 -0.64 1.78 -0.65 -0.54 0.00 0.00 174.62 175.38 1c7b h PRO 51 N 2.76 0.66 -0.79 3.99 0.11 -1.98 -0.30 132.00 136.45 1c7b h PRO 51 Ca -0.36 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 1c7b h PRO 51 Cb 1.19 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 1c7b h PRO 51 CO 0.64 0.44 0.36 -0.44 -0.21 0.00 0.00 178.00 178.78 1c7b h ASP 52 N 0.68 1.05 -0.32 -2.05 3.32 -1.98 -1.04 116.42 116.08 1c7b h ASP 52 Ca 0.43 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 57.20 1c7b h ASP 52 Cb 0.54 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1c7b h ASP 52 CO -0.32 0.91 -0.29 0.00 -1.72 0.00 0.00 179.24 177.82 1c7b h ALA 53 N 1.19 0.75 0.13 3.45 0.00 -1.52 -1.83 119.26 121.43 1c7b h ALA 53 Ca 0.27 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1c7b h ALA 53 Cb 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1c7b h ALA 53 CO -0.03 0.66 -0.06 0.28 0.00 0.00 0.00 179.25 180.09 1c7b h VAL 54 N 0.71 0.90 0.00 0.00 2.07 -0.96 -1.26 116.25 117.71 1c7b h VAL 54 Ca 0.08 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1c7b h VAL 54 Cb 0.84 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1c7b h VAL 54 CO 0.07 0.03 -0.20 0.24 0.02 0.00 0.00 177.57 177.73 1c7b h MET 55 N -0.24 0.00 -0.01 1.57 2.07 -1.03 -2.31 114.93 114.98 1c7b h MET 55 Ca -0.02 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 1c7b h MET 55 Cb 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.92 1c7b h MET 55 CO 0.03 0.20 -0.35 0.41 1.07 0.00 0.00 176.91 178.27 1c7b n GLY 56 N -0.65 -0.22 3.67 8.32 0.00 -0.70 -4.86 105.19 110.74 1c7b n GLY 56 Ca -0.02 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 1c7b n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1c7b s ASN 57 N -2.46 6.70 0.45 1.61 3.84 -0.49 -4.90 114.94 119.70 1c7b s ASN 57 Ca 0.22 2.21 0.17 0.00 0.21 0.00 0.00 52.86 55.67 1c7b s ASN 57 Cb 0.19 -2.54 1.06 0.00 -0.55 0.00 0.00 41.25 39.40 1c7b s ASN 57 CO 0.53 -0.89 1.99 1.55 -2.79 0.00 0.00 177.10 177.50 1c7b h PRO 58 N 9.10 0.00 -0.09 0.43 0.13 -1.90 -2.17 132.00 137.50 1c7b h PRO 58 Ca -0.39 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.55 1c7b h PRO 58 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1c7b h PRO 58 CO 0.95 0.19 -0.77 0.87 -0.23 0.00 0.00 178.00 179.01 1c7b h LYS 59 N 0.00 0.50 -0.14 0.86 1.57 -1.90 -1.74 116.57 115.72 1c7b h LYS 59 Ca -0.00 -0.42 -0.01 0.00 -1.87 0.00 0.00 60.65 58.35 1c7b h LYS 59 Cb 0.36 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1c7b h LYS 59 CO 0.02 1.05 0.06 0.28 -0.57 0.00 0.00 179.45 180.30 1c7b h VAL 60 N 0.33 1.14 -0.74 0.50 2.07 -1.74 -1.89 116.25 115.92 1c7b h VAL 60 Ca -0.04 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.11 1c7b h VAL 60 Cb 1.36 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 1c7b h VAL 60 CO 0.14 0.13 0.45 0.11 0.02 0.00 0.00 177.57 178.41 1c7b h LYS 61 N 0.08 0.83 -0.39 1.57 1.57 -1.37 -0.03 116.57 118.82 1c7b h LYS 61 Ca 0.05 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1c7b h LYS 61 Cb 0.15 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1c7b h LYS 61 CO -0.00 0.55 -0.08 0.00 -0.57 0.00 0.00 179.45 179.34 1c7b h ALA 62 N 1.34 1.12 -0.14 3.86 0.00 -1.17 -0.45 119.26 123.83 1c7b h ALA 62 Ca 0.31 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 1c7b h ALA 62 Cb 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1c7b h ALA 62 CO -0.14 0.55 -0.73 1.25 0.00 0.00 0.00 179.25 180.18 1c7b h HIS 63 N 0.62 0.87 -0.90 0.00 -0.00 -0.93 -2.50 115.15 112.31 1c7b h HIS 63 Ca 0.11 -0.37 0.10 0.00 -0.00 0.00 0.00 60.37 60.21 1c7b h HIS 63 Cb 0.51 -0.14 -0.08 0.00 -0.00 0.00 0.00 27.41 27.71 1c7b h HIS 63 CO 0.02 1.17 0.55 0.78 -0.00 0.00 0.00 177.93 180.45 1c7b h GLY 64 N 0.85 1.43 1.53 5.26 0.00 -0.45 -0.15 103.07 111.54 1c7b h GLY 64 Ca -0.04 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 1c7b h GLY 64 CO 0.14 0.17 -0.30 1.70 0.00 0.00 0.00 176.54 178.25 1c7b h LYS 65 N 0.90 0.54 -0.18 4.80 3.64 -0.90 -1.48 116.57 123.88 1c7b h LYS 65 Ca 0.43 -0.23 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 1c7b h LYS 65 Cb 0.38 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1c7b h LYS 65 CO -0.24 0.78 -0.35 -0.22 -2.27 0.00 0.00 179.45 177.14 1c7b h LYS 66 N 0.46 0.56 -0.24 1.90 3.64 -0.85 -1.13 116.57 120.90 1c7b h LYS 66 Ca 0.06 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.06 1c7b h LYS 66 Cb 0.75 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1c7b h LYS 66 CO 0.06 0.97 0.06 0.28 -2.27 0.00 0.00 179.45 178.55 1c7b h VAL 67 N 0.21 1.21 0.00 2.00 2.07 -1.01 -2.52 116.25 118.21 1c7b h VAL 67 Ca 0.01 -0.66 -0.10 0.00 0.82 0.00 0.00 66.70 66.76 1c7b h VAL 67 Cb 0.94 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1c7b h VAL 67 CO 0.08 0.21 -0.47 0.25 0.02 0.00 0.00 177.57 177.66 1c7b h LEU 68 N 0.22 0.00 -1.00 2.57 5.85 -1.31 -1.59 115.31 120.05 1c7b h LEU 68 Ca 0.08 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1c7b h LEU 68 Cb 0.27 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1c7b h LEU 68 CO -0.00 0.47 0.20 1.23 -0.34 0.00 0.00 178.44 180.00 1c7b h GLY 69 N 2.85 1.00 1.28 3.75 0.00 -1.13 0.22 103.07 111.03 1c7b h GLY 69 Ca -0.00 -0.55 -0.19 0.00 0.00 0.00 0.00 47.33 46.59 1c7b h GLY 69 CO 0.06 0.52 -0.63 0.00 0.00 0.00 0.00 176.54 176.49 1c7b h ALA 70 N 1.32 0.49 -0.26 3.60 0.00 -1.16 -1.68 119.26 121.56 1c7b h ALA 70 Ca 0.20 -0.55 0.05 0.00 0.00 0.00 0.00 54.91 54.62 1c7b h ALA 70 Cb 0.24 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1c7b h ALA 70 CO -0.01 0.69 -0.04 0.35 0.00 0.00 0.00 179.25 180.24 1c7b h PHE 71 N 0.55 -0.09 -0.44 0.00 3.57 -1.00 -1.75 116.94 117.78 1c7b h PHE 71 Ca -0.01 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1c7b h PHE 71 Cb 1.23 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 40.01 1c7b h PHE 71 CO 0.07 -0.08 0.24 1.03 -2.23 0.00 0.00 178.31 177.33 1c7b h SER 72 N 0.03 0.37 0.49 0.41 0.87 -0.40 -0.40 113.55 114.91 1c7b h SER 72 Ca 0.12 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.64 1c7b h SER 72 Cb 0.18 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1c7b h SER 72 CO -0.24 0.26 -0.26 0.44 -0.53 0.00 0.00 176.83 176.50 1c7b h ASP 73 N 0.48 0.00 0.50 6.23 3.32 -1.14 -1.81 116.42 123.99 1c7b h ASP 73 Ca 0.18 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1c7b h ASP 73 Cb 0.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 1c7b h ASP 73 CO -0.11 0.26 -0.16 1.23 -1.72 0.00 0.00 179.24 178.74 1c7b h GLY 74 N 1.24 0.00 2.00 2.75 0.00 -0.15 -2.46 103.07 106.44 1c7b h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1c7b h GLY 74 CO 0.03 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.61 1c7b n LEU 75 N -3.61 0.52 -0.26 3.11 4.77 -0.68 -1.15 117.00 119.70 1c7b n LEU 75 Ca -0.01 0.65 0.14 0.00 -0.03 0.00 0.00 56.01 56.75 1c7b n LEU 75 Cb 0.30 -0.60 0.47 0.00 -2.33 0.00 0.00 43.42 41.25 1c7b n LEU 75 CO 0.31 -0.58 0.76 0.00 -1.33 0.00 0.00 177.39 176.56 1c7b n ALA 76 N -1.72 2.89 -2.54 -1.18 0.00 -0.93 -4.11 120.51 112.92 1c7b n ALA 76 Ca 0.02 -0.38 -0.17 0.00 0.00 0.00 0.00 53.44 52.91 1c7b n ALA 76 Cb 0.18 -1.19 0.02 0.00 0.00 0.00 0.00 19.45 18.46 1c7b n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1c7b n HIS 77 N -0.54 2.22 0.32 0.00 8.25 -0.30 -4.89 115.22 120.28 1c7b n HIS 77 Ca 0.14 -2.79 0.20 0.00 -0.26 0.00 0.00 57.72 55.02 1c7b n HIS 77 Cb 0.33 -0.24 1.06 0.00 1.12 0.00 0.00 29.99 32.26 1c7b n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1c7b h LEU 78 N 2.71 0.00 -0.61 2.41 3.38 -1.71 0.38 115.31 121.87 1c7b h LEU 78 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1c7b h LEU 78 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1c7b h LEU 78 CO 0.63 0.01 -0.12 0.47 0.09 0.00 0.00 178.44 179.52 1c7b n ASP 79 N -3.21 1.07 -2.95 -0.43 8.00 -1.26 -2.91 116.55 114.87 1c7b n ASP 79 Ca -0.02 -1.08 -0.13 0.00 0.71 0.00 0.00 54.79 54.26 1c7b n ASP 79 Cb 0.13 0.04 0.02 0.00 -0.02 0.00 0.00 41.12 41.29 1c7b n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1c7b n ASN 80 N -0.40 -0.10 -0.11 -2.24 5.15 0.11 -4.11 115.26 113.56 1c7b n ASN 80 Ca 0.16 -3.09 -0.13 0.00 -0.60 0.00 0.00 54.58 50.92 1c7b n ASN 80 Cb 0.33 0.18 -0.03 0.00 -0.53 0.00 0.00 39.78 39.73 1c7b n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1c7b h LEU 81 N 2.92 0.85 -0.49 1.20 3.38 -1.72 -1.92 115.31 119.53 1c7b h LEU 81 Ca -0.02 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.53 1c7b h LEU 81 Cb 1.06 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1c7b h LEU 81 CO 0.36 1.12 0.28 0.11 0.09 0.00 0.00 178.44 180.41 1c7b h LYS 82 N 0.59 0.55 0.00 1.13 1.57 -1.91 0.14 116.57 118.65 1c7b h LYS 82 Ca 0.06 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.64 1c7b h LYS 82 Cb 0.86 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1c7b h LYS 82 CO 0.07 0.36 -0.80 0.78 -0.57 0.00 0.00 179.45 179.30 1c7b h GLY 83 N 0.57 0.00 1.12 3.86 0.00 -1.95 -1.87 103.07 104.80 1c7b h GLY 83 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.46 1c7b h GLY 83 CO -0.10 0.00 0.16 -0.84 0.00 0.00 0.00 176.54 175.76 1c7b h THR 84 N 0.00 1.26 -0.60 4.70 2.02 -0.87 -3.25 112.91 116.17 1c7b h THR 84 Ca -0.01 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.21 1c7b h THR 84 Cb 1.46 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1c7b h THR 84 CO 0.10 0.37 0.00 0.49 0.37 0.00 0.00 175.52 176.85 1c7b n PHE 85 N -4.23 0.80 -0.04 3.16 3.72 -0.00 -4.66 117.46 116.21 1c7b n PHE 85 Ca 0.05 -0.50 -0.08 0.00 -0.05 0.00 0.00 57.45 56.87 1c7b n PHE 85 Cb 0.26 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.77 1c7b n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1c7b h ALA 86 N 3.48 0.09 -0.55 4.37 0.00 -1.37 0.15 119.26 125.43 1c7b h ALA 86 Ca 0.00 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1c7b h ALA 86 Cb 0.90 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1c7b h ALA 86 CO 0.00 -0.51 -0.11 1.15 0.00 0.00 0.00 179.25 179.78 1c7b h THR 87 N -0.06 1.27 -0.08 0.00 2.02 -1.85 -1.60 112.91 112.62 1c7b h THR 87 Ca 0.11 -1.27 -0.07 0.00 0.77 0.00 0.00 66.41 65.95 1c7b h THR 87 Cb 0.23 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1c7b h THR 87 CO -0.25 0.45 -0.27 -0.07 0.37 0.00 0.00 175.52 175.75 1c7b h LEU 88 N 0.92 0.13 -0.32 2.58 3.38 -1.81 -0.76 115.31 119.44 1c7b h LEU 88 Ca 0.14 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1c7b h LEU 88 Cb 0.68 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1c7b h LEU 88 CO 0.05 0.41 0.08 -1.28 0.09 0.00 0.00 178.44 177.79 1c7b h SER 89 N 0.12 0.48 -0.80 -0.43 0.87 -0.02 -0.91 113.55 112.86 1c7b h SER 89 Ca 0.02 -0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.32 1c7b h SER 89 Cb 0.55 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 1c7b h SER 89 CO 0.04 0.58 0.40 -0.33 -0.53 0.00 0.00 176.83 176.99 1c7b h GLU 90 N 0.35 1.15 -0.66 2.24 5.08 -0.94 -2.20 114.58 119.60 1c7b h GLU 90 Ca 0.10 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1c7b h GLU 90 Cb 0.29 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1c7b h GLU 90 CO 0.00 0.88 0.36 1.25 -1.00 0.00 0.00 179.01 180.50 1c7b h LEU 91 N 1.13 0.82 -0.95 1.33 5.85 -0.97 -0.53 115.31 121.99 1c7b h LEU 91 Ca 0.28 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 1c7b h LEU 91 Cb 0.10 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1c7b h LEU 91 CO -0.04 0.68 -0.43 0.45 -0.34 0.00 0.00 178.44 178.76 1c7b h HIS 92 N 0.90 0.00 0.00 1.25 3.86 -0.68 -2.36 115.15 118.12 1c7b h HIS 92 Ca 0.23 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 1c7b h HIS 92 Cb 0.04 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 1c7b h HIS 92 CO -0.01 0.43 -0.07 0.00 0.86 0.00 0.00 177.93 179.14 1c7b h ASP 94 N -1.00 0.00 0.00 0.00 3.32 -1.16 -3.17 116.42 114.41 1c7b h ASP 94 Ca -0.01 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.88 1c7b h ASP 94 Cb 0.29 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1c7b h ASP 94 CO -0.01 0.82 -1.61 0.29 -1.72 0.00 0.00 179.24 177.01 1c7b n LYS 95 N -3.49 0.39 0.06 3.56 4.76 -0.93 -4.75 118.16 117.76 1c7b n LYS 95 Ca -0.00 0.06 0.11 0.00 -2.87 0.00 0.00 58.31 55.61 1c7b n LYS 95 Cb 0.80 -1.21 -0.01 0.00 -1.84 0.00 0.00 35.03 32.77 1c7b n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1c7b n LEU 96 N -2.79 0.62 -3.70 -0.35 4.77 -0.94 -4.99 117.00 109.63 1c7b n LEU 96 Ca -0.19 0.17 -0.22 0.00 -0.03 0.00 0.00 56.01 55.74 1c7b n LEU 96 Cb 0.71 -0.07 0.04 0.00 -2.33 0.00 0.00 43.42 41.77 1c7b n LEU 96 CO 0.11 -0.08 -0.02 1.41 -1.33 0.00 0.00 177.39 177.48 1c7b n HIS 97 N -2.36 -2.01 -3.38 -1.77 8.25 -0.57 -4.95 115.22 108.41 1c7b n HIS 97 Ca 0.00 0.86 -0.40 0.00 -0.26 0.00 0.00 57.72 57.92 1c7b n HIS 97 Cb 0.51 -4.44 -0.09 0.00 1.12 0.00 0.00 29.99 27.10 1c7b n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1c7b s VAL 98 N -3.59 5.15 -0.05 1.59 1.01 -0.65 -5.03 120.40 118.84 1c7b s VAL 98 Ca 0.09 0.18 -0.35 0.00 0.00 0.00 0.00 61.98 61.91 1c7b s VAL 98 Cb -0.05 -3.81 -0.13 0.00 0.00 0.00 0.00 36.38 32.40 1c7b s VAL 98 CO 0.80 -0.06 1.79 -0.67 0.00 0.00 0.00 175.10 176.96 1c7b n ASP 99 N 5.41 3.22 0.16 3.32 -0.08 -1.26 -4.78 116.55 122.55 1c7b n ASP 99 Ca -0.09 1.01 0.11 0.00 -1.51 0.00 0.00 54.79 54.31 1c7b n ASP 99 Cb 0.50 -1.36 0.58 0.00 2.34 0.00 0.00 41.12 43.18 1c7b n ASP 99 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1c7b n PRO 100 N 5.71 0.14 0.24 -0.67 -0.02 -1.26 -1.07 135.00 138.07 1c7b n PRO 100 Ca 0.22 0.64 0.09 0.00 -2.02 0.00 0.00 63.50 62.43 1c7b n PRO 100 Cb 0.27 -1.97 0.67 0.00 -0.02 0.00 0.00 33.50 32.45 1c7b n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1c7b h GLU 101 N 0.00 0.00 -0.36 -0.52 4.57 -1.99 -1.66 114.58 114.63 1c7b h GLU 101 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1c7b h GLU 101 Cb 0.03 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1c7b h GLU 101 CO 0.00 0.00 0.18 -0.91 -1.18 0.00 0.00 179.01 177.10 1c7b h ASN 102 N 0.00 0.43 -0.33 1.04 2.35 -1.47 -1.18 115.58 116.42 1c7b h ASN 102 Ca 0.02 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 1c7b h ASN 102 Cb 0.08 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1c7b h ASN 102 CO -0.00 0.36 0.02 -0.26 -1.65 0.00 0.00 177.43 175.90 1c7b h PHE 103 N 0.49 0.71 -0.30 1.19 0.04 -1.48 -0.62 116.94 116.98 1c7b h PHE 103 Ca 0.13 -0.08 -0.18 0.00 2.80 0.00 0.00 57.97 60.63 1c7b h PHE 103 Cb 0.04 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 37.98 1c7b h PHE 103 CO 0.00 0.66 -0.52 0.00 -0.60 0.00 0.00 178.31 177.86 1c7b h ARG 104 N 0.64 0.88 -0.45 1.51 3.08 -1.28 -1.42 114.38 117.35 1c7b h ARG 104 Ca 0.13 -0.54 -0.04 0.00 0.07 0.00 0.00 59.98 59.61 1c7b h ARG 104 Cb 0.38 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1c7b h ARG 104 CO 0.01 1.18 0.12 -0.07 -1.07 0.00 0.00 179.97 180.14 1c7b h LEU 105 N 0.68 0.68 -1.04 3.04 3.38 -1.08 -1.69 115.31 119.27 1c7b h LEU 105 Ca 0.02 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.81 1c7b h LEU 105 Cb 1.12 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.64 1c7b h LEU 105 CO 0.12 0.72 0.64 0.25 0.09 0.00 0.00 178.44 180.26 1c7b h LEU 106 N 0.60 1.07 -0.83 1.67 5.85 -1.06 -1.54 115.31 121.07 1c7b h LEU 106 Ca 0.14 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1c7b h LEU 106 Cb 0.30 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1c7b h LEU 106 CO -0.00 0.73 0.52 1.23 -0.34 0.00 0.00 178.44 180.58 1c7b h GLY 107 N 1.24 1.22 0.98 3.75 0.00 -0.82 0.15 103.07 109.58 1c7b h GLY 107 Ca 0.39 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1c7b h GLY 107 CO -0.12 0.31 0.11 0.50 0.00 0.00 0.00 176.54 177.34 1c7b h LYS 108 N 1.00 0.82 -0.31 4.80 1.57 -0.72 -2.36 116.57 121.37 1c7b h LYS 108 Ca 0.34 -0.21 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 1c7b h LYS 108 Cb 0.06 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1c7b h LYS 108 CO -0.13 0.80 -0.35 0.28 -0.57 0.00 0.00 179.45 179.47 1c7b h VAL 109 N 0.70 1.29 -0.73 0.50 2.07 -0.78 -2.38 116.25 116.92 1c7b h VAL 109 Ca 0.16 -1.51 -0.04 0.00 0.82 0.00 0.00 66.70 66.13 1c7b h VAL 109 Cb 0.36 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 1c7b h VAL 109 CO 0.00 0.49 0.29 0.25 0.02 0.00 0.00 177.57 178.62 1c7b h LEU 110 N 0.59 1.01 -0.97 2.57 5.85 -0.63 -0.18 115.31 123.55 1c7b h LEU 110 Ca 0.06 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1c7b h LEU 110 Cb 0.88 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1c7b h LEU 110 CO 0.08 0.91 0.42 0.58 -0.34 0.00 0.00 178.44 180.09 1c7b h VAL 111 N 1.05 1.25 -0.69 1.05 2.07 -1.20 -0.20 116.25 119.59 1c7b h VAL 111 Ca 0.24 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 1c7b h VAL 111 Cb 0.22 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1c7b h VAL 111 CO -0.02 0.28 0.14 0.00 0.02 0.00 0.00 177.57 177.99 1c7b h VAL 113 N 1.06 1.24 -0.53 0.00 2.07 -0.42 -0.56 116.25 119.10 1c7b h VAL 113 Ca 0.21 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 66.79 1c7b h VAL 113 Cb 0.42 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1c7b h VAL 113 CO 0.01 0.32 -0.00 -0.07 0.02 0.00 0.00 177.57 177.85 1c7b h LEU 114 N 0.81 0.88 -0.72 2.57 3.38 -0.83 0.76 115.31 122.15 1c7b h LEU 114 Ca 0.18 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1c7b h LEU 114 Cb 0.32 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1c7b h LEU 114 CO -0.00 0.94 0.39 0.00 0.09 0.00 0.00 178.44 179.86 1c7b h ALA 115 N 1.15 0.93 -0.51 1.53 0.00 -1.05 0.08 119.26 121.38 1c7b h ALA 115 Ca 0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1c7b h ALA 115 Cb 0.50 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1c7b h ALA 115 CO 0.02 0.45 0.15 1.25 0.00 0.00 0.00 179.25 181.12 1c7b h HIS 116 N 1.00 0.83 -0.41 0.00 -0.00 -0.59 0.79 115.15 116.76 1c7b h HIS 116 Ca 0.25 -0.09 -0.10 0.00 -0.00 0.00 0.00 60.37 60.43 1c7b h HIS 116 Cb 0.05 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.21 1c7b h HIS 116 CO -0.00 0.73 -0.14 0.45 -0.00 0.00 0.00 177.93 178.97 1c7b h HIS 117 N 0.70 0.94 0.00 5.26 -0.00 -0.66 -3.34 115.15 118.05 1c7b h HIS 117 Ca 0.16 -0.22 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 1c7b h HIS 117 Cb 0.30 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.48 1c7b h HIS 117 CO 0.02 0.96 -1.07 1.19 -0.00 0.00 0.00 177.93 179.03 1c7b n PHE 118 N -4.27 0.00 -0.75 2.45 3.72 -0.00 -5.05 117.46 113.55 1c7b n PHE 118 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1c7b n PHE 118 Cb 0.39 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 1c7b n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1c7b n GLY 119 N 1.43 3.25 0.29 1.37 0.00 0.26 -2.29 105.19 109.51 1c7b n GLY 119 Ca 0.02 -0.13 0.19 0.00 0.00 0.00 0.00 46.02 46.11 1c7b n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1c7b h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 -0.25 116.57 118.06 1c7b h LYS 120 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1c7b h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1c7b h LYS 120 CO 0.00 0.00 -0.01 1.49 -2.00 0.00 0.00 179.45 178.93 1c7b h GLU 121 N 0.00 0.00 -3.90 0.07 4.81 -1.85 -3.30 114.58 110.41 1c7b h GLU 121 Ca 0.00 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.48 1c7b h GLU 121 Cb 0.19 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.42 1c7b h GLU 121 CO 0.00 0.01 1.92 0.34 -0.73 0.00 0.00 179.01 180.54 1c7b n PHE 122 N -3.11 3.52 -1.42 0.92 7.35 -0.11 -4.94 117.46 119.67 1c7b n PHE 122 Ca -0.01 -2.94 -0.30 0.00 -0.76 0.00 0.00 57.45 53.44 1c7b n PHE 122 Cb 0.23 -2.05 0.11 0.00 0.35 0.00 0.00 39.48 38.12 1c7b n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1c7b s THR 123 N 0.90 2.95 0.22 -2.13 -4.23 -1.25 -4.70 115.64 107.40 1c7b s THR 123 Ca 0.41 0.31 -0.09 0.00 -1.18 0.00 0.00 61.69 61.14 1c7b s THR 123 Cb 0.07 -2.95 0.18 0.00 1.34 0.00 0.00 72.50 71.14 1c7b s THR 123 CO 0.00 -0.40 1.70 -0.65 -0.54 0.00 0.00 174.62 174.73 1c7b h PRO 124 N -1.24 0.25 -0.06 3.99 0.11 -1.94 0.88 132.00 133.99 1c7b h PRO 124 Ca -0.48 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1c7b h PRO 124 Cb 1.27 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1c7b h PRO 124 CO 0.57 0.17 -0.38 -1.35 -0.21 0.00 0.00 178.00 176.80 1c7b h PRO 125 N 0.26 0.12 -0.34 1.05 0.11 -1.99 -1.29 132.00 129.91 1c7b h PRO 125 Ca 0.34 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.27 1c7b h PRO 125 Cb 0.53 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 1c7b h PRO 125 CO -0.44 0.48 -0.29 0.28 -0.21 0.00 0.00 178.00 177.83 1c7b h VAL 126 N 0.10 1.29 -0.63 3.15 2.07 -1.66 -2.64 116.25 117.92 1c7b h VAL 126 Ca 0.01 -1.45 0.06 0.00 0.82 0.00 0.00 66.70 66.14 1c7b h VAL 126 Cb 0.72 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 1c7b h VAL 126 CO 0.05 0.47 0.34 -0.61 0.02 0.00 0.00 177.57 177.85 1c7b h GLN 127 N 0.57 0.61 -0.75 1.57 4.15 -0.66 -1.90 115.11 118.70 1c7b h GLN 127 Ca 0.06 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 1c7b h GLN 127 Cb 0.86 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.38 1c7b h GLN 127 CO 0.07 0.40 0.47 0.00 -1.93 0.00 0.00 178.83 177.84 1c7b h ALA 128 N 1.34 1.41 -0.37 3.38 0.00 -1.07 0.23 119.26 124.17 1c7b h ALA 128 Ca 0.29 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1c7b h ALA 128 Cb 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1c7b h ALA 128 CO -0.19 0.53 -0.09 0.00 0.00 0.00 0.00 179.25 179.50 1c7b h ALA 129 N 1.48 0.51 -0.04 0.00 0.00 -1.11 -2.63 119.26 117.48 1c7b h ALA 129 Ca 0.27 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1c7b h ALA 129 Cb -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1c7b h ALA 129 CO -0.05 0.36 -0.31 1.88 0.00 0.00 0.00 179.25 181.13 1c7b h TYR 130 N 0.51 0.08 -0.73 0.00 0.05 -0.66 -2.30 116.97 113.93 1c7b h TYR 130 Ca 0.09 -0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.80 1c7b h TYR 130 Cb 0.60 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.29 1c7b h TYR 130 CO 0.05 0.39 0.23 1.96 -1.05 0.00 0.00 178.16 179.73 1c7b h GLN 131 N 0.07 1.14 -0.65 4.88 1.08 -0.38 -0.26 115.11 121.00 1c7b h GLN 131 Ca 0.01 -0.25 0.01 0.00 -1.45 0.00 0.00 58.65 56.97 1c7b h GLN 131 Cb 0.59 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.83 1c7b h GLN 131 CO 0.04 0.98 0.43 0.87 -0.95 0.00 0.00 178.83 180.20 1c7b h LYS 132 N 1.09 0.84 -0.35 1.46 1.57 -1.11 -1.90 116.57 118.18 1c7b h LYS 132 Ca 0.24 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1c7b h LYS 132 Cb 0.31 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1c7b h LYS 132 CO -0.01 0.56 0.01 0.28 -0.57 0.00 0.00 179.45 179.72 1c7b h VAL 133 N 0.87 1.25 -0.00 0.50 2.07 -0.99 0.14 116.25 120.09 1c7b h VAL 133 Ca 0.24 -0.94 -0.14 0.00 0.82 0.00 0.00 66.70 66.68 1c7b h VAL 133 Cb -0.09 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1c7b h VAL 133 CO -0.06 0.31 -0.67 -0.37 0.02 0.00 0.00 177.57 176.81 1c7b h VAL 134 N 0.42 1.48 -0.37 2.57 -1.51 -0.97 -0.49 116.25 117.37 1c7b h VAL 134 Ca 0.10 -2.28 -0.05 0.00 -1.23 0.00 0.00 66.70 63.25 1c7b h VAL 134 Cb 0.43 2.23 -0.01 0.00 -2.13 0.00 0.00 31.29 31.80 1c7b h VAL 134 CO 0.02 0.65 0.06 0.00 -1.23 0.00 0.00 177.57 177.06 1c7b h ALA 135 N 1.33 0.49 -0.48 5.19 0.00 -1.21 -1.96 119.26 122.62 1c7b h ALA 135 Ca -0.01 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1c7b h ALA 135 Cb 1.18 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1c7b h ALA 135 CO 0.09 0.20 0.31 0.78 0.00 0.00 0.00 179.25 180.64 1c7b h GLY 136 N 0.46 0.68 0.89 0.00 0.00 -0.44 0.20 103.07 104.86 1c7b h GLY 136 Ca 0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1c7b h GLY 136 CO 0.01 0.24 -0.04 -2.08 0.00 0.00 0.00 176.54 174.67 1c7b h VAL 137 N 0.64 1.00 -0.96 4.60 2.07 -1.11 -0.39 116.25 122.11 1c7b h VAL 137 Ca 0.18 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.53 1c7b h VAL 137 Cb -0.06 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 1c7b h VAL 137 CO -0.05 0.06 0.60 0.00 0.02 0.00 0.00 177.57 178.21 1c7b h ALA 138 N 0.71 1.37 -0.47 1.67 0.00 -1.13 0.12 119.26 121.53 1c7b h ALA 138 Ca -0.01 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1c7b h ALA 138 Cb 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1c7b h ALA 138 CO 0.02 0.31 -0.05 -0.91 0.00 0.00 0.00 179.25 178.62 1c7b h ASN 139 N 1.04 0.78 -0.06 0.00 2.35 -0.78 -1.71 115.58 117.21 1c7b h ASN 139 Ca 0.44 -0.21 -0.15 0.00 -0.55 0.00 0.00 56.30 55.83 1c7b h ASN 139 Cb 0.28 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1c7b h ASN 139 CO -0.21 0.88 -0.47 0.00 -1.65 0.00 0.00 177.43 175.98 1c7b h ALA 140 N 1.20 0.74 0.00 -0.83 0.00 0.41 -2.66 119.26 118.13 1c7b h ALA 140 Ca 0.14 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 1c7b h ALA 140 Cb 0.52 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1c7b h ALA 140 CO 0.03 0.67 -0.23 -0.07 0.00 0.00 0.00 179.25 179.64 1c7b h LEU 141 N 0.49 0.00 -0.30 0.00 3.38 -0.69 -2.97 115.31 115.21 1c7b h LEU 141 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1c7b h LEU 141 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1c7b h LEU 141 CO 0.09 0.23 -0.26 0.00 0.09 0.00 0.00 178.44 178.60 1c7b n ALA 142 N -2.22 3.05 0.01 1.53 0.00 -0.66 -4.44 120.51 117.78 1c7b n ALA 142 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 53.44 53.10 1c7b n ALA 142 Cb 0.45 -1.20 0.29 0.00 0.00 0.00 0.00 19.45 18.98 1c7b n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1c7b h HIS 143 N 0.74 0.52 -0.61 0.00 6.17 -1.31 -2.50 115.15 118.17 1c7b h HIS 143 Ca 0.00 -0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.02 1c7b h HIS 143 Cb 0.47 -0.15 0.00 0.00 2.52 0.00 0.00 27.41 30.25 1c7b h HIS 143 CO 0.00 0.55 0.00 1.63 0.71 0.00 0.00 177.93 180.82 1c7b n LYS 144 N -4.25 3.67 -2.27 5.26 4.76 -1.26 -4.94 118.16 119.12 1c7b n LYS 144 Ca 0.01 -2.71 -0.35 0.00 -2.87 0.00 0.00 58.31 52.39 1c7b n LYS 144 Cb 0.27 -1.90 0.00 0.00 -1.84 0.00 0.00 35.03 31.57 1c7b n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1c7b s TYR 145 N -1.90 2.69 0.00 2.13 1.51 -0.94 -4.77 117.35 116.06 1c7b s TYR 145 Ca 0.48 1.54 0.00 0.00 -1.01 0.00 0.00 57.07 58.09 1c7b s TYR 145 Cb 0.32 -3.29 0.00 0.00 -0.11 0.00 0.00 41.96 38.88 1c7b s TYR 145 CO 0.23 -1.55 0.00 -2.39 -1.11 0.00 0.00 175.55 170.73