#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i7y s LEU 2 N 0.00 2.37 0.34 3.17 1.43 -1.26 -5.01 118.68 119.73 1i7y s LEU 2 Ca 0.00 -0.76 0.08 0.00 -1.03 0.00 0.00 54.13 52.42 1i7y s LEU 2 Cb 0.00 -0.27 -0.04 0.00 0.03 0.00 0.00 46.19 45.91 1i7y s LEU 2 CO 0.00 -0.25 0.18 1.51 0.23 0.00 0.00 176.35 178.02 1i7y s ASP 3 N -2.25 4.83 0.55 2.29 1.47 -1.26 -4.63 116.67 117.67 1i7y s ASP 3 Ca 0.02 -0.71 0.37 0.00 1.18 0.00 0.00 52.55 53.41 1i7y s ASP 3 Cb -0.04 -0.78 1.55 0.00 -0.34 0.00 0.00 42.92 43.30 1i7y s ASP 3 CO -0.00 -0.32 1.77 0.00 0.68 0.00 0.00 175.17 177.30 1i7y h ALA 4 N 1.46 3.14 0.07 2.11 0.00 -1.32 -1.16 119.26 123.56 1i7y h ALA 4 Ca -0.44 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1i7y h ALA 4 Cb 1.25 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1i7y h ALA 4 CO 0.62 -1.52 -0.03 0.74 0.00 0.00 0.00 179.25 179.05 1i7y h PHE 5 N 0.00 -0.09 0.00 0.00 0.04 -1.93 -3.21 116.94 111.76 1i7y h PHE 5 Ca 0.58 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.33 1i7y h PHE 5 Cb 2.37 0.03 -0.00 0.00 2.20 0.00 0.00 35.95 40.54 1i7y h PHE 5 CO 0.00 0.49 -0.08 0.00 -0.60 0.00 0.00 178.31 178.13 1i7y h ALA 6 N -0.12 1.51 -0.67 2.45 0.00 -1.67 -2.01 119.26 118.74 1i7y h ALA 6 Ca -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1i7y h ALA 6 Cb 0.62 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1i7y h ALA 6 CO 0.02 0.10 0.34 -0.22 0.00 0.00 0.00 179.25 179.48 1i7y h LYS 7 N 0.00 0.96 -0.31 0.00 1.63 -1.31 0.18 116.57 117.71 1i7y h LYS 7 Ca -0.00 -0.13 -0.15 0.00 -0.85 0.00 0.00 60.65 59.52 1i7y h LYS 7 Cb 0.18 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1i7y h LYS 7 CO 0.01 0.75 -0.38 0.28 -3.45 0.00 0.00 179.45 176.66 1i7y h VAL 8 N 0.93 1.29 -0.51 2.00 2.07 -1.38 -2.86 116.25 117.79 1i7y h VAL 8 Ca 0.23 -1.56 0.03 0.00 0.82 0.00 0.00 66.70 66.22 1i7y h VAL 8 Cb 0.09 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1i7y h VAL 8 CO -0.03 0.51 0.30 0.58 0.02 0.00 0.00 177.57 178.94 1i7y h VAL 9 N 0.58 1.04 -0.39 2.57 2.07 -1.14 -0.60 116.25 120.38 1i7y h VAL 9 Ca 0.04 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1i7y h VAL 9 Cb 0.97 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1i7y h VAL 9 CO 0.09 0.11 0.14 0.00 0.02 0.00 0.00 177.57 177.93 1i7y h ALA 10 N 1.23 1.53 -0.09 1.67 0.00 -0.93 -0.75 119.26 121.93 1i7y h ALA 10 Ca 0.21 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.76 1i7y h ALA 10 Cb 0.04 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1i7y h ALA 10 CO -0.10 0.36 -0.88 1.96 0.00 0.00 0.00 179.25 180.59 1i7y h GLN 11 N 0.54 0.73 -0.50 0.00 4.20 -1.21 -2.83 115.11 116.05 1i7y h GLN 11 Ca 0.13 -0.66 -0.01 0.00 0.06 0.00 0.00 58.65 58.17 1i7y h GLN 11 Cb 0.13 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1i7y h GLN 11 CO -0.01 1.26 0.27 0.00 -0.67 0.00 0.00 178.83 179.67 1i7y h ALA 12 N 0.53 0.64 -0.14 3.87 0.00 -0.57 -3.19 119.26 120.40 1i7y h ALA 12 Ca -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1i7y h ALA 12 Cb 1.51 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1i7y h ALA 12 CO 0.17 0.16 0.06 0.22 0.00 0.00 0.00 179.25 179.87 1i7y h ASP 13 N 0.66 0.19 -0.01 0.00 3.58 -1.17 -1.00 116.42 118.66 1i7y h ASP 13 Ca 0.17 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1i7y h ASP 13 Cb 0.06 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.06 1i7y h ASP 13 CO -0.03 0.29 0.29 0.00 -2.88 0.00 0.00 179.24 176.92 1i7y h ALA 14 N 0.90 1.32 0.00 -0.78 0.00 -1.49 0.93 119.26 120.14 1i7y h ALA 14 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1i7y h ALA 14 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1i7y h ALA 14 CO -0.00 -0.30 -1.70 0.54 0.00 0.00 0.00 179.25 177.78 1i7y n ARG 15 N -2.94 0.51 -2.89 0.00 1.74 -0.98 -5.00 116.66 107.10 1i7y n ARG 15 Ca -0.02 -0.14 -0.09 0.00 -0.77 0.00 0.00 57.85 56.83 1i7y n ARG 15 Cb 0.35 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.32 1i7y n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i7y n GLY 16 N 1.34 0.34 3.21 -0.13 0.00 0.32 -5.05 105.19 105.22 1i7y n GLY 16 Ca -0.02 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 1i7y n GLY 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1i7y s GLU 17 N -5.40 0.94 0.81 1.61 -1.05 -0.83 -5.02 118.70 109.76 1i7y s GLU 17 Ca 0.20 -1.37 -0.12 0.00 -0.15 0.00 0.00 54.97 53.54 1i7y s GLU 17 Cb -0.09 -0.45 0.08 0.00 -0.44 0.00 0.00 34.13 33.23 1i7y s GLU 17 CO 0.28 0.04 1.13 -0.06 0.95 0.00 0.00 175.26 177.60 1i7y s PHE 18 N -3.32 2.87 0.48 4.83 0.40 -1.26 -4.46 117.98 117.52 1i7y s PHE 18 Ca 0.13 0.96 -0.21 0.00 -0.60 0.00 0.00 56.93 57.22 1i7y s PHE 18 Cb 0.03 -3.26 -0.08 0.00 0.51 0.00 0.00 43.02 40.22 1i7y s PHE 18 CO -0.02 -1.82 1.07 -0.51 0.70 0.00 0.00 175.22 174.65 1i7y s LEU 19 N -5.72 3.89 0.29 -0.37 1.02 -1.26 -5.03 118.68 111.50 1i7y s LEU 19 Ca 0.61 2.03 0.04 0.00 0.02 0.00 0.00 54.13 56.83 1i7y s LEU 19 Cb -0.13 -4.47 -0.03 0.00 0.02 0.00 0.00 46.19 41.58 1i7y s LEU 19 CO 0.52 -0.83 0.45 0.42 0.02 0.00 0.00 176.35 176.93 1i7y s THR 20 N -1.85 5.02 0.50 5.49 -4.23 -1.26 -4.93 115.64 114.39 1i7y s THR 20 Ca 0.66 -0.80 0.20 0.00 -1.18 0.00 0.00 61.69 60.57 1i7y s THR 20 Cb -0.20 -3.79 0.35 0.00 1.34 0.00 0.00 72.50 70.20 1i7y s THR 20 CO 0.24 -0.38 2.03 0.78 -0.54 0.00 0.00 174.62 176.74 1i7y h ASN 21 N 0.97 0.09 0.02 3.99 2.35 -1.98 0.45 115.58 121.47 1i7y h ASN 21 Ca -0.50 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.25 1i7y h ASN 21 Cb 1.23 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.58 1i7y h ASN 21 CO 0.60 0.05 -0.01 0.00 -1.65 0.00 0.00 177.43 176.42 1i7y h ALA 22 N 1.79 -0.03 -0.40 -0.83 0.00 -1.98 0.34 119.26 118.14 1i7y h ALA 22 Ca 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1i7y h ALA 22 Cb 0.66 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1i7y h ALA 22 CO -0.02 -0.47 0.22 1.96 0.00 0.00 0.00 179.25 180.94 1i7y h GLN 23 N -0.13 0.56 0.02 0.00 4.20 -1.39 0.15 115.11 118.51 1i7y h GLN 23 Ca -0.00 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.65 1i7y h GLN 23 Cb 0.12 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1i7y h GLN 23 CO 0.01 0.46 -0.09 0.74 -0.67 0.00 0.00 178.83 179.27 1i7y h PHE 24 N 0.51 -0.22 -0.72 2.96 0.04 -0.88 0.86 116.94 119.49 1i7y h PHE 24 Ca 0.14 0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.97 1i7y h PHE 24 Cb 0.06 0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.25 1i7y h PHE 24 CO -0.02 -0.14 0.43 -0.44 -0.60 0.00 0.00 178.31 177.54 1i7y h ASP 25 N -0.16 0.66 -0.12 2.17 3.45 -0.66 0.44 116.42 122.19 1i7y h ASP 25 Ca 0.03 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.50 1i7y h ASP 25 Cb 0.19 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 1i7y h ASP 25 CO -0.07 0.44 0.05 0.00 -1.57 0.00 0.00 179.24 178.08 1i7y h ALA 26 N 1.35 0.16 -0.06 3.45 0.00 -0.29 -2.23 119.26 121.63 1i7y h ALA 26 Ca 0.31 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1i7y h ALA 26 Cb 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1i7y h ALA 26 CO -0.16 -0.25 -0.43 -0.07 0.00 0.00 0.00 179.25 178.35 1i7y h LEU 27 N 0.04 0.15 -1.62 0.00 3.38 -0.50 -2.45 115.31 114.31 1i7y h LEU 27 Ca 0.04 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1i7y h LEU 27 Cb 0.18 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1i7y h LEU 27 CO -0.00 0.56 -0.21 -1.28 0.09 0.00 0.00 178.44 177.60 1i7y h SER 28 N 0.12 0.00 0.54 -0.43 0.87 0.10 -2.49 113.55 112.26 1i7y h SER 28 Ca 0.01 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.37 1i7y h SER 28 Cb 0.81 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 1i7y h SER 28 CO 0.06 0.21 -0.87 0.78 -0.53 0.00 0.00 176.83 176.48 1i7y h ASN 29 N 0.00 0.29 -0.77 6.23 -0.26 -0.92 -2.91 115.58 117.23 1i7y h ASN 29 Ca -0.00 -0.23 -0.03 0.00 -0.56 0.00 0.00 56.30 55.47 1i7y h ASN 29 Cb 0.44 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.58 1i7y h ASN 29 CO 0.03 1.02 0.35 -0.07 -1.06 0.00 0.00 177.43 177.70 1i7y h LEU 30 N 0.13 1.03 -1.20 1.61 3.38 -1.28 -1.89 115.31 117.09 1i7y h LEU 30 Ca -0.05 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1i7y h LEU 30 Cb 1.49 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 1i7y h LEU 30 CO 0.13 0.89 0.48 0.58 0.09 0.00 0.00 178.44 180.62 1i7y h VAL 31 N 1.10 1.21 -0.06 1.22 2.07 -1.44 -2.38 116.25 117.96 1i7y h VAL 31 Ca 0.26 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1i7y h VAL 31 Cb 0.16 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1i7y h VAL 31 CO -0.03 0.21 -0.25 0.11 0.02 0.00 0.00 177.57 177.63 1i7y h LYS 32 N 1.05 0.10 -0.27 1.57 1.57 -1.16 -2.46 116.57 116.98 1i7y h LYS 32 Ca 0.28 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1i7y h LYS 32 Cb -0.08 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1i7y h LYS 32 CO -0.06 0.35 0.00 0.39 -0.57 0.00 0.00 179.45 179.57 1i7y n GLU 33 N -4.20 2.07 -0.23 3.15 -0.58 -0.94 -4.51 120.64 115.40 1i7y n GLU 33 Ca -0.02 -1.62 0.03 0.00 -0.42 0.00 0.00 57.16 55.14 1i7y n GLU 33 Cb 0.33 -1.44 0.13 0.00 -0.57 0.00 0.00 31.44 29.89 1i7y n GLU 33 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1i7y h GLY 34 N 4.82 0.77 0.40 0.62 0.00 -1.01 -1.55 103.07 107.13 1i7y h GLY 34 Ca 0.00 0.09 0.12 0.00 0.00 0.00 0.00 47.33 47.54 1i7y h GLY 34 CO 0.00 -0.24 0.53 3.43 0.00 0.00 0.00 176.54 180.26 1i7y h ASN 35 N 0.12 0.74 -0.30 0.19 -0.26 -1.82 -0.73 115.58 113.52 1i7y h ASN 35 Ca 0.37 0.06 -0.09 0.00 -0.56 0.00 0.00 56.30 56.09 1i7y h ASN 35 Cb 0.64 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.80 1i7y h ASN 35 CO -0.60 0.38 -0.10 0.11 -1.06 0.00 0.00 177.43 176.16 1i7y h LYS 36 N 0.82 0.72 -0.20 0.81 1.57 -1.63 -2.47 116.57 116.21 1i7y h LYS 36 Ca 0.46 -0.23 -0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1i7y h LYS 36 Cb 0.52 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1i7y h LYS 36 CO -0.29 0.80 -0.45 -0.09 -0.57 0.00 0.00 179.45 178.85 1i7y h ARG 37 N 0.66 0.48 -0.36 3.15 2.43 -0.91 -2.09 114.38 117.74 1i7y h ARG 37 Ca 0.11 -0.26 -0.12 0.00 -0.81 0.00 0.00 59.98 58.91 1i7y h ARG 37 Cb 0.56 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1i7y h ARG 37 CO 0.03 0.84 -0.25 -0.07 -1.51 0.00 0.00 179.97 179.01 1i7y h LEU 38 N 0.39 0.74 -0.45 3.80 -0.00 -1.01 -2.79 115.31 115.99 1i7y h LEU 38 Ca 0.03 -0.27 -0.09 0.00 -0.00 0.00 0.00 57.88 57.54 1i7y h LEU 38 Cb 0.94 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.38 1i7y h LEU 38 CO 0.08 0.96 -0.08 0.44 -0.00 0.00 0.00 178.44 179.84 1i7y h ASP 39 N 0.63 0.86 0.15 -0.43 3.45 -1.28 -1.19 116.42 118.60 1i7y h ASP 39 Ca 0.08 -0.35 0.01 0.00 0.43 0.00 0.00 57.03 57.20 1i7y h ASP 39 Cb 0.76 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 39.28 1i7y h ASP 39 CO 0.06 1.01 -0.17 0.00 -1.57 0.00 0.00 179.24 178.57 1i7y h ALA 40 N 0.88 -0.32 -0.34 3.45 0.00 -1.32 -0.81 119.26 120.79 1i7y h ALA 40 Ca 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1i7y h ALA 40 Cb 0.62 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1i7y h ALA 40 CO 0.04 -0.71 0.20 0.28 0.00 0.00 0.00 179.25 179.06 1i7y h VAL 41 N -0.35 1.12 -0.15 0.00 2.07 -1.47 -1.85 116.25 115.61 1i7y h VAL 41 Ca 0.01 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.26 1i7y h VAL 41 Cb 0.34 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1i7y h VAL 41 CO -0.06 0.12 -0.01 -1.13 0.02 0.00 0.00 177.57 176.51 1i7y h ASN 42 N 0.43 -0.08 0.16 0.57 -1.24 -1.00 -0.74 115.58 113.68 1i7y h ASN 42 Ca 0.12 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.16 1i7y h ASN 42 Cb 0.02 0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.15 1i7y h ASN 42 CO -0.02 -0.02 -0.08 0.03 -1.29 0.00 0.00 177.43 176.05 1i7y h ARG 43 N 0.03 -0.21 0.29 6.67 3.08 -1.05 0.27 114.38 123.47 1i7y h ARG 43 Ca 0.07 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1i7y h ARG 43 Cb 0.09 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1i7y h ARG 43 CO -0.13 -0.03 -0.20 0.82 -1.07 0.00 0.00 179.97 179.36 1i7y h ILE 44 N -0.34 0.58 -0.89 2.04 2.04 -1.31 -2.10 117.51 117.54 1i7y h ILE 44 Ca -0.02 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.94 1i7y h ILE 44 Cb 0.27 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 1i7y h ILE 44 CO 0.04 0.00 0.57 0.74 0.00 0.00 0.00 178.15 179.50 1i7y h THR 45 N -0.48 0.96 0.00 -0.27 2.02 -1.10 0.05 112.91 114.09 1i7y h THR 45 Ca -0.03 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1i7y h THR 45 Cb 0.41 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1i7y h THR 45 CO 0.01 0.16 0.00 -1.20 0.37 0.00 0.00 175.52 174.86 1i7y n SER 46 N -4.53 0.22 -0.41 4.18 7.64 0.95 -2.40 113.62 119.26 1i7y n SER 46 Ca 0.15 0.56 0.07 0.00 1.01 0.00 0.00 58.87 60.66 1i7y n SER 46 Cb 0.32 -0.60 0.13 0.00 -1.01 0.00 0.00 64.21 63.04 1i7y n SER 46 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1i7y n ASN 47 N -1.75 1.70 -0.15 6.43 4.13 -0.05 -4.88 115.26 120.70 1i7y n ASN 47 Ca 0.03 -3.07 -0.13 0.00 1.68 0.00 0.00 54.58 53.09 1i7y n ASN 47 Cb 0.18 -0.41 -0.09 0.00 -1.54 0.00 0.00 39.78 37.91 1i7y n ASN 47 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1i7y h ALA 48 N 0.38 -0.73 -0.48 5.41 0.00 -1.06 -1.44 119.26 121.33 1i7y h ALA 48 Ca -0.02 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1i7y h ALA 48 Cb 1.14 1.13 -0.06 0.00 0.00 0.00 0.00 17.79 20.00 1i7y h ALA 48 CO 0.01 -1.00 0.15 0.77 0.00 0.00 0.00 179.25 179.18 1i7y h SER 49 N -0.34 0.13 -0.65 0.00 0.02 -1.89 -2.17 113.55 108.65 1i7y h SER 49 Ca 0.07 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1i7y h SER 49 Cb 0.54 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 1i7y h SER 49 CO -0.59 0.10 0.37 0.74 -1.14 0.00 0.00 176.83 176.31 1i7y h THR 50 N 0.32 1.20 -0.33 -2.27 2.02 -1.86 -1.54 112.91 110.45 1i7y h THR 50 Ca 0.23 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1i7y h THR 50 Cb 0.27 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1i7y h THR 50 CO -0.26 0.21 0.21 0.40 0.37 0.00 0.00 175.52 176.45 1i7y h ILE 51 N 0.88 1.10 0.06 3.11 2.04 -0.84 -0.37 117.51 123.49 1i7y h ILE 51 Ca 0.23 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1i7y h ILE 51 Cb 0.01 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1i7y h ILE 51 CO -0.04 0.10 -0.03 0.58 0.00 0.00 0.00 178.15 178.77 1i7y h VAL 52 N 0.43 1.18 -0.49 1.67 2.07 -1.29 -2.50 116.25 117.33 1i7y h VAL 52 Ca 0.12 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1i7y h VAL 52 Cb -0.01 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1i7y h VAL 52 CO -0.02 0.21 0.29 0.00 0.02 0.00 0.00 177.57 178.07 1i7y h ALA 53 N 0.46 0.62 -0.20 1.67 0.00 -1.25 -1.51 119.26 119.06 1i7y h ALA 53 Ca -0.01 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1i7y h ALA 53 Cb 0.40 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1i7y h ALA 53 CO 0.01 0.11 -0.37 -0.91 0.00 0.00 0.00 179.25 178.09 1i7y h ASN 54 N 0.65 0.45 -0.17 0.00 -0.26 -1.14 -2.07 115.58 113.04 1i7y h ASN 54 Ca 0.17 -0.18 -0.15 0.00 -0.56 0.00 0.00 56.30 55.58 1i7y h ASN 54 Cb -0.01 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.12 1i7y h ASN 54 CO -0.03 0.78 -0.43 0.00 -1.06 0.00 0.00 177.43 176.69 1i7y h ALA 55 N 1.24 0.69 -0.26 -0.83 0.00 -1.19 -2.81 119.26 116.10 1i7y h ALA 55 Ca 0.04 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 1i7y h ALA 55 Cb 0.82 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1i7y h ALA 55 CO 0.07 0.67 -0.27 0.00 0.00 0.00 0.00 179.25 179.71 1i7y h ALA 56 N 0.93 0.39 -0.69 0.00 0.00 -1.19 -0.68 119.26 118.02 1i7y h ALA 56 Ca 0.04 -0.39 0.08 0.00 0.00 0.00 0.00 54.91 54.64 1i7y h ALA 56 Cb 0.98 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 1i7y h ALA 56 CO 0.09 0.39 0.35 0.00 0.00 0.00 0.00 179.25 180.08 1i7y h ARG 57 N 0.38 0.59 -0.34 0.00 3.08 -1.37 -0.08 114.38 116.64 1i7y h ARG 57 Ca 0.04 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1i7y h ARG 57 Cb 0.84 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1i7y h ARG 57 CO 0.07 0.39 -0.03 0.00 -1.07 0.00 0.00 179.97 179.32 1i7y h ALA 58 N 1.41 0.46 -0.38 0.04 0.00 -1.38 -1.32 119.26 118.09 1i7y h ALA 58 Ca 0.33 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1i7y h ALA 58 Cb 0.32 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1i7y h ALA 58 CO -0.25 0.26 0.05 1.25 0.00 0.00 0.00 179.25 180.56 1i7y h LEU 59 N 0.42 -0.04 -1.24 0.00 5.85 -0.28 -0.36 115.31 119.65 1i7y h LEU 59 Ca 0.09 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 1i7y h LEU 59 Cb 0.51 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1i7y h LEU 59 CO 0.02 0.02 -0.36 -0.26 -0.34 0.00 0.00 178.44 177.52 1i7y h PHE 60 N 0.17 0.00 0.00 1.25 0.05 -0.86 0.16 116.94 117.70 1i7y h PHE 60 Ca 0.18 0.00 -0.18 0.00 3.82 0.00 0.00 57.97 61.79 1i7y h PHE 60 Cb 0.23 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.16 1i7y h PHE 60 CO -0.21 0.36 -0.85 0.00 -0.18 0.00 0.00 178.31 177.43 1i7y h ALA 61 N 1.64 0.59 0.08 2.45 0.00 -0.79 -2.68 119.26 120.56 1i7y h ALA 61 Ca -0.00 -0.74 -0.26 0.00 0.00 0.00 0.00 54.91 53.90 1i7y h ALA 61 Cb 0.70 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1i7y h ALA 61 CO 0.05 0.99 -1.23 0.93 0.00 0.00 0.00 179.25 179.99 1i7y h GLU 62 N 0.04 0.17 -2.15 0.00 5.08 -0.39 -3.39 114.58 113.93 1i7y h GLU 62 Ca -0.02 -0.29 -0.58 0.00 -1.00 0.00 0.00 59.36 57.47 1i7y h GLU 62 Cb 1.48 0.11 -0.40 0.00 0.50 0.00 0.00 28.75 30.44 1i7y h GLU 62 CO 0.12 1.10 -0.87 1.04 -1.00 0.00 0.00 179.01 179.40 1i7y n GLN 63 N -3.44 1.45 0.33 2.33 6.02 0.49 -4.96 117.38 119.60 1i7y n GLN 63 Ca -0.07 -3.85 0.17 0.00 -0.01 0.00 0.00 57.00 53.23 1i7y n GLN 63 Cb 1.00 -1.71 0.90 0.00 1.02 0.00 0.00 30.24 31.45 1i7y n GLN 63 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1i7y h PRO 64 N 4.24 0.00 0.00 -1.09 0.13 -1.69 -1.90 132.00 131.69 1i7y h PRO 64 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1i7y h PRO 64 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1i7y h PRO 64 CO 0.62 0.00 0.00 -0.56 -0.23 0.00 0.00 178.00 177.83 1i7y h GLN 65 N 0.00 0.00 0.00 0.86 -0.00 -1.93 -2.48 115.11 111.56 1i7y h GLN 65 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.61 1i7y h GLN 65 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.00 1i7y h GLN 65 CO 0.00 0.00 -0.17 -0.07 -0.00 0.00 0.00 178.83 178.59 1i7y h LEU 66 N 0.00 0.00 -1.03 0.06 3.38 -1.71 -3.18 115.31 112.83 1i7y h LEU 66 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i7y h LEU 66 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1i7y h LEU 66 CO 0.00 0.17 -0.13 2.30 0.09 0.00 0.00 178.44 180.87 1i7y n ILE 67 N -3.32 0.00 -1.25 1.22 -5.35 -0.96 -0.56 119.36 109.14 1i7y n ILE 67 Ca 0.00 -0.43 -0.31 0.00 -0.27 0.00 0.00 62.75 61.74 1i7y n ILE 67 Cb 0.41 1.17 0.10 0.00 -1.74 0.00 0.00 39.64 39.58 1i7y n ILE 67 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1i7y s GLN 68 N -1.21 2.08 0.35 6.28 -1.52 -1.05 -4.63 119.66 119.96 1i7y s GLN 68 Ca 0.10 1.10 -0.29 0.00 -1.95 0.00 0.00 55.36 54.33 1i7y s GLN 68 Cb 0.09 -1.88 -0.12 0.00 -0.22 0.00 0.00 33.01 30.88 1i7y s GLN 68 CO 0.21 -1.75 1.45 -2.30 -0.25 0.00 0.00 175.29 172.66 1i7y n PRO 69 N -3.59 2.50 0.00 2.91 -0.02 -1.26 -0.63 135.00 134.92 1i7y n PRO 69 Ca 0.09 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1i7y n PRO 69 Cb 0.53 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1i7y n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i7y n GLY 70 N 0.90 3.22 3.71 -1.23 0.00 -1.26 -5.04 105.19 105.50 1i7y n GLY 70 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1i7y n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i7y s GLY 71 N -2.33 1.89 0.37 -0.02 0.00 0.20 -4.90 107.32 102.52 1i7y s GLY 71 Ca 0.00 0.59 0.27 0.00 0.00 0.00 0.00 44.72 45.58 1i7y s GLY 71 CO 0.00 0.98 1.82 -0.57 0.00 0.00 0.00 173.10 175.33 1i7y h ASN 72 N -1.17 0.00 -0.36 1.64 -0.00 -1.81 -2.46 115.58 111.43 1i7y h ASN 72 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.85 1i7y h ASN 72 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.59 1i7y h ASN 72 CO 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 177.43 177.90 1i7y n ALA 75 N -1.88 2.40 -1.76 1.57 0.00 0.27 -4.71 120.51 116.40 1i7y n ALA 75 Ca 0.01 -1.42 -0.40 0.00 0.00 0.00 0.00 53.44 51.64 1i7y n ALA 75 Cb 0.22 -0.54 -0.06 0.00 0.00 0.00 0.00 19.45 19.07 1i7y n ALA 75 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1i7y s TYR 76 N -1.42 3.98 0.00 0.00 5.04 -0.93 -3.81 117.35 120.21 1i7y s TYR 76 Ca 0.29 1.91 0.00 0.00 -2.44 0.00 0.00 57.07 56.84 1i7y s TYR 76 Cb 0.18 -2.99 0.00 0.00 0.35 0.00 0.00 41.96 39.50 1i7y s TYR 76 CO 0.15 0.44 0.00 0.25 -1.34 0.00 0.00 175.55 175.05 1i7y n THR 77 N 1.51 -0.21 0.26 4.34 -2.24 -1.26 -4.37 114.28 112.31 1i7y n THR 77 Ca -0.02 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.88 1i7y n THR 77 Cb 0.47 0.00 0.68 0.00 -2.10 0.00 0.00 70.33 69.38 1i7y n THR 77 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1i7y h ASN 78 N 0.00 0.00 0.04 3.42 -0.26 -1.99 -2.12 115.58 114.67 1i7y h ASN 78 Ca 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1i7y h ASN 78 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1i7y h ASN 78 CO 0.00 0.14 -0.02 -0.09 -1.06 0.00 0.00 177.43 176.40 1i7y h ARG 79 N 0.00 -0.05 -0.13 0.81 1.12 -1.94 -0.27 114.38 113.91 1i7y h ARG 79 Ca -0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.79 1i7y h ARG 79 Cb 0.42 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.38 1i7y h ARG 79 CO 0.02 0.36 -0.30 0.00 -3.11 0.00 0.00 179.97 176.93 1i7y h ARG 80 N -0.47 0.25 -0.35 0.20 3.08 -1.73 -2.15 114.38 113.21 1i7y h ARG 80 Ca -0.01 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 1i7y h ARG 80 Cb 0.43 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1i7y h ARG 80 CO 0.01 0.53 -0.11 1.98 -1.07 0.00 0.00 179.97 181.31 1i7y h MET 81 N 0.22 0.70 -0.77 0.04 4.05 -1.31 -1.00 114.93 116.86 1i7y h MET 81 Ca 0.03 -0.28 -0.04 0.00 -0.28 0.00 0.00 59.70 59.13 1i7y h MET 81 Cb 0.65 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.38 1i7y h MET 81 CO 0.05 0.87 0.33 0.00 0.23 0.00 0.00 176.91 178.39 1i7y h ALA 82 N 0.81 0.99 -0.56 0.39 0.00 -0.88 -0.90 119.26 119.12 1i7y h ALA 82 Ca 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1i7y h ALA 82 Cb 0.63 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1i7y h ALA 82 CO 0.04 0.59 0.33 0.00 0.00 0.00 0.00 179.25 180.21 1i7y h ALA 83 N 1.17 0.71 0.28 0.00 0.00 -1.21 0.20 119.26 120.42 1i7y h ALA 83 Ca 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1i7y h ALA 83 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1i7y h ALA 83 CO -0.03 0.20 -0.18 0.00 0.00 0.00 0.00 179.25 179.25 1i7y h LEU 85 N -0.45 1.06 -0.15 0.00 3.38 -0.96 -1.86 115.31 116.34 1i7y h LEU 85 Ca -0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1i7y h LEU 85 Cb 0.37 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1i7y h LEU 85 CO 0.02 0.79 0.09 -0.09 0.09 0.00 0.00 178.44 179.34 1i7y h ARG 86 N 1.24 0.18 -0.87 1.13 2.43 -0.27 -1.69 114.38 116.53 1i7y h ARG 86 Ca 0.33 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.58 1i7y h ARG 86 Cb -0.11 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.33 1i7y h ARG 86 CO -0.07 0.12 0.52 -0.44 -1.51 0.00 0.00 179.97 178.59 1i7y h ASP 87 N 0.19 0.77 -0.30 -3.80 5.19 -0.27 0.25 116.42 118.44 1i7y h ASP 87 Ca 0.06 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.48 1i7y h ASP 87 Cb -0.01 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 1i7y h ASP 87 CO -0.02 0.45 0.09 0.24 -3.12 0.00 0.00 179.24 176.87 1i7y h MET 88 N 0.88 0.48 -0.44 3.56 2.86 -0.96 -0.01 114.93 121.30 1i7y h MET 88 Ca 0.41 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.90 1i7y h MET 88 Cb 0.33 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1i7y h MET 88 CO -0.23 0.53 0.11 1.49 1.06 0.00 0.00 176.91 179.87 1i7y h GLU 89 N 0.33 0.65 -0.33 1.72 4.81 -0.81 -0.78 114.58 120.18 1i7y h GLU 89 Ca 0.10 -0.12 -0.18 0.00 -0.13 0.00 0.00 59.36 59.03 1i7y h GLU 89 Cb 0.26 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1i7y h GLU 89 CO -0.00 0.60 -0.48 0.82 -0.73 0.00 0.00 179.01 179.21 1i7y h ILE 90 N 0.64 1.27 -0.43 2.32 2.04 -0.64 0.36 117.51 123.06 1i7y h ILE 90 Ca 0.15 -1.66 -0.02 0.00 1.00 0.00 0.00 64.86 64.33 1i7y h ILE 90 Cb 0.24 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 1i7y h ILE 90 CO -0.00 0.55 0.20 0.40 0.00 0.00 0.00 178.15 179.30 1i7y h ILE 91 N 0.72 1.18 -0.74 -0.67 1.08 -0.51 -2.21 117.51 116.36 1i7y h ILE 91 Ca 0.03 -0.52 -0.06 0.00 -0.39 0.00 0.00 64.86 63.93 1i7y h ILE 91 Cb 1.09 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 35.53 1i7y h ILE 91 CO 0.11 0.20 0.24 0.25 -0.69 0.00 0.00 178.15 178.26 1i7y h LEU 92 N 0.55 1.07 -0.04 1.44 5.85 -1.06 -2.31 115.31 120.82 1i7y h LEU 92 Ca 0.15 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1i7y h LEU 92 Cb 0.12 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1i7y h LEU 92 CO -0.02 0.99 0.01 -0.09 -0.34 0.00 0.00 178.44 178.98 1i7y h ARG 93 N 1.09 0.02 0.00 1.25 2.43 -0.58 -2.04 114.38 116.55 1i7y h ARG 93 Ca 0.24 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 1i7y h ARG 93 Cb 0.29 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1i7y h ARG 93 CO -0.01 0.01 -0.21 1.88 -1.51 0.00 0.00 179.97 180.14 1i7y h TYR 94 N 0.02 0.00 -0.16 2.20 0.05 -1.32 -2.40 116.97 115.35 1i7y h TYR 94 Ca 0.02 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.64 1i7y h TYR 94 Cb 0.02 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 1i7y h TYR 94 CO -0.10 0.21 -0.55 0.28 -1.05 0.00 0.00 178.16 176.96 1i7y h VAL 95 N 0.00 1.33 0.00 -2.88 2.07 -1.02 -2.63 116.25 113.11 1i7y h VAL 95 Ca -0.00 -1.80 -0.08 0.00 0.82 0.00 0.00 66.70 65.64 1i7y h VAL 95 Cb 0.55 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1i7y h VAL 95 CO 0.03 0.56 -0.37 0.71 0.02 0.00 0.00 177.57 178.51 1i7y h THR 96 N 0.38 0.88 -0.35 2.57 1.35 -0.89 -2.39 112.91 114.47 1i7y h THR 96 Ca 0.01 -1.52 -0.10 0.00 -0.55 0.00 0.00 66.41 64.25 1i7y h THR 96 Cb 1.07 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 69.41 1i7y h THR 96 CO 0.10 0.37 -0.17 1.88 -0.25 0.00 0.00 175.52 177.45 1i7y h TYR 97 N 0.00 0.84 -0.68 4.73 0.05 -1.28 -2.37 116.97 118.25 1i7y h TYR 97 Ca -0.00 -0.21 -0.03 0.00 0.05 0.00 0.00 58.73 58.54 1i7y h TYR 97 Cb 0.90 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.41 1i7y h TYR 97 CO 0.00 0.93 0.33 0.00 -1.05 0.00 0.00 178.16 178.36 1i7y h ALA 98 N 0.78 1.29 -0.46 3.88 0.00 -1.24 0.00 119.26 123.51 1i7y h ALA 98 Ca 0.08 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1i7y h ALA 98 Cb 0.71 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1i7y h ALA 98 CO 0.05 0.55 -0.02 0.82 0.00 0.00 0.00 179.25 180.65 1i7y h ILE 99 N 0.97 1.24 -0.21 0.00 2.04 -1.22 0.63 117.51 120.96 1i7y h ILE 99 Ca 0.24 -1.03 -0.11 0.00 1.00 0.00 0.00 64.86 64.95 1i7y h ILE 99 Cb 0.10 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1i7y h ILE 99 CO -0.03 0.36 -0.31 0.25 0.00 0.00 0.00 178.15 178.42 1i7y h LEU 100 N 0.72 0.63 -0.46 1.44 6.46 -0.89 -3.27 115.31 119.94 1i7y h LEU 100 Ca 0.14 -0.52 -0.17 0.00 -0.12 0.00 0.00 57.88 57.21 1i7y h LEU 100 Cb 0.48 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 40.22 1i7y h LEU 100 CO 0.02 1.03 -0.59 0.00 -0.62 0.00 0.00 178.44 178.28 1i7y h ALA 101 N 0.62 0.63 0.00 1.25 0.00 -0.75 -3.47 119.26 117.54 1i7y h ALA 101 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1i7y h ALA 101 Cb 0.89 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1i7y h ALA 101 CO 0.07 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.43 1i7y n GLY 102 N 0.34 0.43 3.44 0.00 0.00 0.22 -1.28 105.19 108.34 1i7y n GLY 102 Ca -0.04 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 1i7y n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i7y s ASP 103 N -2.95 -0.55 0.00 1.61 -1.08 -1.13 -3.98 116.67 108.60 1i7y s ASP 103 Ca 0.00 0.98 0.29 0.00 -0.52 0.00 0.00 52.55 53.30 1i7y s ASP 103 Cb 0.00 0.99 1.29 0.00 -1.46 0.00 0.00 42.92 43.74 1i7y s ASP 103 CO 0.00 -0.25 1.88 -1.54 0.52 0.00 0.00 175.17 175.78 1i7y n SER 104 N 2.47 0.97 -0.08 -0.34 3.41 -1.26 -4.39 113.62 114.40 1i7y n SER 104 Ca -0.15 -1.25 -0.09 0.00 -0.26 0.00 0.00 58.87 57.12 1i7y n SER 104 Cb 0.56 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 1i7y n SER 104 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1i7y h SER 105 N 1.49 -1.07 -0.95 4.04 4.64 -1.97 0.91 113.55 120.63 1i7y h SER 105 Ca 0.00 0.18 0.11 0.00 -0.47 0.00 0.00 61.79 61.60 1i7y h SER 105 Cb 0.35 0.48 -0.07 0.00 -0.31 0.00 0.00 62.40 62.85 1i7y h SER 105 CO 0.00 -0.33 0.61 1.62 -0.87 0.00 0.00 176.83 177.86 1i7y h VAL 106 N -0.30 0.96 -0.40 0.95 3.04 -1.83 0.16 116.25 118.81 1i7y h VAL 106 Ca 0.14 -0.33 -0.05 0.00 -1.01 0.00 0.00 66.70 65.46 1i7y h VAL 106 Cb 0.54 -0.09 -0.02 0.00 -2.01 0.00 0.00 31.29 29.72 1i7y h VAL 106 CO -0.48 0.17 0.06 0.25 -1.01 0.00 0.00 177.57 176.57 1i7y h LEU 107 N 0.96 0.64 0.17 3.16 5.85 -1.42 -2.38 115.31 122.30 1i7y h LEU 107 Ca 0.45 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1i7y h LEU 107 Cb 0.43 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1i7y h LEU 107 CO -0.21 0.74 -0.08 0.44 -0.34 0.00 0.00 178.44 178.99 1i7y h ASP 108 N 0.52 -0.20 -0.35 1.25 3.32 0.44 -1.20 116.42 120.19 1i7y h ASP 108 Ca 0.12 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.79 1i7y h ASP 108 Cb 0.38 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1i7y h ASP 108 CO 0.01 0.23 -0.09 0.44 -1.72 0.00 0.00 179.24 178.11 1i7y h ASP 109 N -0.67 0.69 -0.27 6.45 3.32 -0.84 -2.35 116.42 122.75 1i7y h ASP 109 Ca -0.02 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1i7y h ASP 109 Cb 0.48 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1i7y h ASP 109 CO 0.04 0.90 0.00 0.54 -1.72 0.00 0.00 179.24 179.00 1i7y n ARG 110 N -4.40 2.45 0.04 3.56 1.74 -0.89 -4.66 116.66 114.49 1i7y n ARG 110 Ca -0.02 -2.16 0.00 0.00 -0.77 0.00 0.00 57.85 54.90 1i7y n ARG 110 Cb 0.34 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 1i7y n ARG 110 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1i7y h LEU 112 N 0.00 0.54 -9.44 0.00 3.38 -1.25 -3.41 115.31 105.13 1i7y h LEU 112 Ca 0.00 -0.40 -0.54 0.00 0.09 0.00 0.00 57.88 57.03 1i7y h LEU 112 Cb 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1i7y h LEU 112 CO 0.00 1.18 0.69 0.20 0.09 0.00 0.00 178.44 180.60 1i7y s ASN 113 N -7.05 6.96 0.00 -0.43 -0.87 -0.89 -2.25 114.94 110.42 1i7y s ASN 113 Ca -0.06 2.07 0.00 0.00 -1.57 0.00 0.00 52.86 53.30 1i7y s ASN 113 Cb 0.09 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.75 1i7y s ASN 113 CO 0.86 -0.59 0.00 0.61 -2.57 0.00 0.00 177.10 175.41 1i7y n GLY 114 N 3.41 1.33 0.20 0.66 0.00 -1.26 -4.92 105.19 104.61 1i7y n GLY 114 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 1i7y n GLY 114 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1i7y h LEU 115 N 0.00 0.64 -0.63 0.99 6.46 -1.68 -0.96 115.31 120.13 1i7y h LEU 115 Ca 0.00 -0.37 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 1i7y h LEU 115 Cb 0.00 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.72 1i7y h LEU 115 CO 0.00 0.86 0.40 -0.09 -0.62 0.00 0.00 178.44 178.99 1i7y h ARG 116 N 0.41 0.85 -0.68 1.25 2.43 -1.76 -1.21 114.38 115.66 1i7y h ARG 116 Ca 0.08 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1i7y h ARG 116 Cb 0.58 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1i7y h ARG 116 CO 0.03 0.59 0.32 0.93 -1.51 0.00 0.00 179.97 180.33 1i7y h GLU 117 N 0.86 0.98 -0.67 0.20 3.07 -1.90 -1.78 114.58 115.34 1i7y h GLU 117 Ca 0.23 -0.15 -0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1i7y h GLU 117 Cb -0.05 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 27.65 1i7y h GLU 117 CO -0.05 0.78 0.41 1.15 -1.40 0.00 0.00 179.01 179.91 1i7y h THR 118 N 0.95 1.19 -0.18 1.13 2.02 -0.45 -1.19 112.91 116.38 1i7y h THR 118 Ca 0.23 -0.41 -0.19 0.00 0.77 0.00 0.00 66.41 66.82 1i7y h THR 118 Cb 0.13 0.26 0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1i7y h THR 118 CO -0.03 0.19 -0.62 1.88 0.37 0.00 0.00 175.52 177.31 1i7y h TYR 119 N 0.91 0.97 -0.14 3.16 0.05 -1.11 -2.07 116.97 118.74 1i7y h TYR 119 Ca 0.24 -0.40 0.05 0.00 0.05 0.00 0.00 58.73 58.67 1i7y h TYR 119 Cb -0.04 -0.16 -0.06 0.00 1.01 0.00 0.00 36.73 37.48 1i7y h TYR 119 CO -0.02 1.21 -0.34 1.96 -1.05 0.00 0.00 178.16 179.92 1i7y h GLN 120 N 0.44 -0.40 -0.34 4.88 7.50 -1.17 0.27 115.11 126.30 1i7y h GLN 120 Ca -0.03 0.03 -0.04 0.00 0.50 0.00 0.00 58.65 59.11 1i7y h GLN 120 Cb 1.25 0.09 -0.02 0.00 0.05 0.00 0.00 27.48 28.85 1i7y h GLN 120 CO 0.13 -0.27 0.04 0.00 -1.50 0.00 0.00 178.83 177.24 1i7y h ALA 121 N 0.37 1.45 0.00 3.87 0.00 -1.23 -2.77 119.26 120.94 1i7y h ALA 121 Ca 0.09 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1i7y h ALA 121 Cb 0.56 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1i7y h ALA 121 CO -0.37 0.40 -0.59 -0.07 0.00 0.00 0.00 179.25 178.63 1i7y h LEU 122 N 0.49 0.00 0.00 0.00 3.38 -0.81 -3.47 115.31 114.90 1i7y h LEU 122 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1i7y h LEU 122 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1i7y h LEU 122 CO 0.00 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.73 1i7y n GLY 123 N 1.17 1.03 3.68 0.83 0.00 0.83 -5.06 105.19 107.67 1i7y n GLY 123 Ca 0.01 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 1i7y n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i7y s THR 124 N -2.00 5.21 -0.74 2.61 2.01 -0.47 -4.96 115.64 117.30 1i7y s THR 124 Ca 0.00 0.71 -0.26 0.00 0.31 0.00 0.00 61.69 62.45 1i7y s THR 124 Cb 0.00 -3.73 -0.12 0.00 0.01 0.00 0.00 72.50 68.67 1i7y s THR 124 CO 0.00 0.27 2.37 -2.16 -0.69 0.00 0.00 174.62 174.41 1i7y s PRO 125 N 1.20 1.77 0.41 4.92 0.04 -1.26 -4.53 135.00 137.55 1i7y s PRO 125 Ca 0.19 0.62 0.19 0.00 0.04 0.00 0.00 61.00 62.03 1i7y s PRO 125 Cb -0.15 -4.76 1.10 0.00 0.04 0.00 0.00 34.50 30.74 1i7y s PRO 125 CO 0.08 -4.13 1.82 0.78 0.04 0.00 0.00 177.00 175.58 1i7y h GLY 126 N 21.61 0.97 2.00 0.56 0.00 -1.91 0.25 103.07 126.54 1i7y h GLY 126 Ca -0.04 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 1i7y h GLY 126 CO 1.05 -0.05 -0.34 1.48 0.00 0.00 0.00 176.54 178.68 1i7y h SER 127 N 0.39 0.00 0.26 0.19 4.64 -1.87 -1.89 113.55 115.27 1i7y h SER 127 Ca 0.52 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.72 1i7y h SER 127 Cb 1.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 1i7y h SER 127 CO -0.21 0.34 -0.46 0.28 -0.87 0.00 0.00 176.83 175.91 1i7y h SER 128 N 0.00 0.26 -0.46 4.97 0.02 -0.88 -2.63 113.55 114.83 1i7y h SER 128 Ca -0.00 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.76 1i7y h SER 128 Cb 0.68 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1i7y h SER 128 CO 0.04 0.68 0.01 0.58 -1.14 0.00 0.00 176.83 177.01 1i7y h VAL 129 N 0.20 1.26 -0.82 2.27 2.07 -1.12 -2.52 116.25 117.58 1i7y h VAL 129 Ca 0.01 -1.03 0.11 0.00 0.82 0.00 0.00 66.70 66.62 1i7y h VAL 129 Cb 0.89 1.02 -0.08 0.00 -1.52 0.00 0.00 31.29 31.59 1i7y h VAL 129 CO 0.07 0.36 0.45 0.00 0.02 0.00 0.00 177.57 178.47 1i7y h ALA 130 N 0.92 1.19 -0.59 1.67 0.00 -1.09 0.12 119.26 121.47 1i7y h ALA 130 Ca 0.13 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1i7y h ALA 130 Cb 0.48 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1i7y h ALA 130 CO 0.02 0.04 0.28 0.28 0.00 0.00 0.00 179.25 179.87 1i7y h VAL 131 N 0.73 1.21 -0.07 0.00 2.07 -1.25 -0.12 116.25 118.83 1i7y h VAL 131 Ca 0.41 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 67.35 1i7y h VAL 131 Cb 0.44 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1i7y h VAL 131 CO -0.28 0.25 -0.12 0.00 0.02 0.00 0.00 177.57 177.43 1i7y h ALA 132 N 1.11 -0.09 -0.24 1.67 0.00 -0.60 -1.84 119.26 119.28 1i7y h ALA 132 Ca 0.20 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1i7y h ALA 132 Cb 0.13 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1i7y h ALA 132 CO -0.02 -0.60 -0.27 0.97 0.00 0.00 0.00 179.25 179.33 1i7y h ILE 133 N -0.18 1.27 -0.88 0.00 2.10 -1.07 -2.55 117.51 116.20 1i7y h ILE 133 Ca 0.07 -1.31 0.05 0.00 1.08 0.00 0.00 64.86 64.75 1i7y h ILE 133 Cb 0.27 1.39 -0.06 0.00 -1.09 0.00 0.00 36.82 37.33 1i7y h ILE 133 CO -0.17 0.41 0.56 1.56 -1.08 0.00 0.00 178.15 179.43 1i7y h GLN 134 N 0.41 1.01 0.24 2.19 4.20 -0.61 -0.99 115.11 121.57 1i7y h GLN 134 Ca 0.06 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1i7y h GLN 134 Cb 0.70 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1i7y h GLN 134 CO 0.05 0.67 -0.12 -0.22 -0.67 0.00 0.00 178.83 178.54 1i7y h LYS 135 N 1.04 -0.31 -0.40 1.46 3.64 -0.95 -2.40 116.57 118.65 1i7y h LYS 135 Ca 0.37 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1i7y h LYS 135 Cb 0.11 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1i7y h LYS 135 CO -0.15 -0.19 0.26 0.52 -2.27 0.00 0.00 179.45 177.61 1i7y h MET 136 N -0.34 0.53 0.31 1.90 2.86 -1.18 -2.39 114.93 116.62 1i7y h MET 136 Ca -0.03 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1i7y h MET 136 Cb 0.26 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1i7y h MET 136 CO 0.05 0.35 -0.39 -0.22 1.06 0.00 0.00 176.91 177.76 1i7y h LYS 137 N 0.54 -0.72 -0.68 1.72 3.11 -0.71 0.58 116.57 120.41 1i7y h LYS 137 Ca 0.15 0.05 0.07 0.00 -2.81 0.00 0.00 60.65 58.10 1i7y h LYS 137 Cb -0.06 0.16 -0.06 0.00 -1.00 0.00 0.00 32.23 31.28 1i7y h LYS 137 CO -0.03 -0.48 0.36 -0.44 -2.81 0.00 0.00 179.45 176.05 1i7y h ASP 138 N -0.75 0.52 -0.20 4.20 3.45 -1.02 -0.64 116.42 121.98 1i7y h ASP 138 Ca -0.02 0.04 -0.07 0.00 0.43 0.00 0.00 57.03 57.42 1i7y h ASP 138 Cb 0.70 -0.06 -0.00 0.00 -0.56 0.00 0.00 39.33 39.41 1i7y h ASP 138 CO -0.11 0.32 -0.14 0.00 -1.57 0.00 0.00 179.24 177.74 1i7y h ALA 139 N 1.37 0.28 -0.07 3.45 0.00 -1.14 -1.22 119.26 121.94 1i7y h ALA 139 Ca 0.31 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1i7y h ALA 139 Cb 0.24 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1i7y h ALA 139 CO -0.21 0.16 -0.17 0.00 0.00 0.00 0.00 179.25 179.03 1i7y h ALA 140 N 0.67 -0.15 -0.67 0.00 0.00 0.56 -0.37 119.26 119.31 1i7y h ALA 140 Ca 0.04 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1i7y h ALA 140 Cb 0.65 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1i7y h ALA 140 CO 0.04 -0.64 0.13 0.82 0.00 0.00 0.00 179.25 179.59 1i7y h ILE 141 N -0.24 1.26 -0.84 0.00 2.04 -1.16 0.74 117.51 119.32 1i7y h ILE 141 Ca 0.08 -1.00 0.04 0.00 1.00 0.00 0.00 64.86 64.98 1i7y h ILE 141 Cb 0.35 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 1i7y h ILE 141 CO -0.21 0.38 0.53 0.00 0.00 0.00 0.00 178.15 178.85 1i7y h ALA 142 N 1.11 1.13 -0.00 1.87 0.00 -0.64 -1.82 119.26 120.90 1i7y h ALA 142 Ca 0.21 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 1i7y h ALA 142 Cb 0.41 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1i7y h ALA 142 CO 0.01 0.33 -0.82 0.82 0.00 0.00 0.00 179.25 179.58 1i7y h ILE 143 N 1.01 1.51 0.41 0.00 2.04 -0.69 -3.27 117.51 118.52 1i7y h ILE 143 Ca 0.35 -2.59 -0.02 0.00 1.00 0.00 0.00 64.86 63.60 1i7y h ILE 143 Cb 0.08 2.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1i7y h ILE 143 CO -0.14 0.75 -0.20 0.00 0.00 0.00 0.00 178.15 178.56 1i7y h ALA 144 N 1.07 -0.56 -1.20 1.87 0.00 -0.26 -3.32 119.26 116.86 1i7y h ALA 144 Ca -0.03 -0.18 -0.76 0.00 0.00 0.00 0.00 54.91 53.94 1i7y h ALA 144 Cb 1.43 0.22 -0.29 0.00 0.00 0.00 0.00 17.79 19.15 1i7y h ALA 144 CO 0.12 -0.66 0.81 0.27 0.00 0.00 0.00 179.25 179.79 1i7y n ASN 145 N -5.22 7.07 -4.59 0.00 0.23 -0.74 -4.84 115.26 107.17 1i7y n ASN 145 Ca -0.10 -3.77 -0.41 0.00 -0.53 0.00 0.00 54.58 49.77 1i7y n ASN 145 Cb 0.29 -1.02 -0.07 0.00 -2.08 0.00 0.00 39.78 36.90 1i7y n ASN 145 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1i7y s ASP 146 N -1.51 6.46 0.34 0.53 2.15 -1.23 -4.95 116.67 118.45 1i7y s ASP 146 Ca 0.47 0.36 0.22 0.00 0.43 0.00 0.00 52.55 54.03 1i7y s ASP 146 Cb 0.34 -2.31 1.21 0.00 -0.30 0.00 0.00 42.92 41.86 1i7y s ASP 146 CO -0.29 -0.46 1.67 1.55 -0.17 0.00 0.00 175.17 177.48 1i7y h PRO 147 N 8.22 0.00 -6.70 4.34 0.13 -1.93 -3.44 132.00 132.62 1i7y h PRO 147 Ca -0.27 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.36 1i7y h PRO 147 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1i7y h PRO 147 CO 0.79 0.00 0.37 -0.80 -0.23 0.00 0.00 178.00 178.12 1i7y s ASN 148 N -4.04 7.56 0.00 1.44 -0.87 -1.26 -3.95 114.94 113.82 1i7y s ASN 148 Ca -0.02 1.94 0.00 0.00 -1.57 0.00 0.00 52.86 53.21 1i7y s ASN 148 Cb 0.06 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.69 1i7y s ASN 148 CO 0.20 0.06 0.00 0.61 -2.57 0.00 0.00 177.10 175.40 1i7y n GLY 149 N 1.69 0.74 3.42 0.66 0.00 -1.26 -5.05 105.19 105.39 1i7y n GLY 149 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1i7y n GLY 149 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1i7y s ILE 150 N -2.58 0.05 0.14 -0.61 -4.36 -1.25 -5.13 121.20 107.45 1i7y s ILE 150 Ca 0.00 -0.78 -0.33 0.00 -0.26 0.00 0.00 60.65 59.28 1i7y s ILE 150 Cb 0.00 -1.45 -0.13 0.00 1.25 0.00 0.00 42.46 42.13 1i7y s ILE 150 CO 0.00 -0.22 1.67 0.41 0.24 0.00 0.00 174.94 177.04 1i7y n THR 151 N -0.28 0.10 -2.15 8.37 -1.04 -1.26 -4.94 114.28 113.09 1i7y n THR 151 Ca -0.12 -0.02 -0.35 0.00 -2.04 0.00 0.00 64.05 61.52 1i7y n THR 151 Cb 0.63 -1.72 0.01 0.00 -1.82 0.00 0.00 70.33 67.43 1i7y n THR 151 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1i7y s PRO 152 N 1.51 3.22 0.00 -2.82 0.04 -1.26 -5.01 135.00 130.67 1i7y s PRO 152 Ca 0.80 1.60 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1i7y s PRO 152 Cb -0.63 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1i7y s PRO 152 CO 0.38 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1i7y n GLY 153 N 0.10 0.66 3.69 0.56 0.00 -1.26 -5.13 105.19 103.81 1i7y n GLY 153 Ca 0.12 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 1i7y n GLY 153 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i7y s ASP 154 N 0.00 6.67 0.00 1.61 -1.08 -1.26 -4.91 116.67 117.70 1i7y s ASP 154 Ca 0.00 0.81 0.00 0.00 -0.52 0.00 0.00 52.55 52.84 1i7y s ASP 154 Cb 0.00 -2.31 0.00 0.00 -1.46 0.00 0.00 42.92 39.15 1i7y s ASP 154 CO 0.00 -0.11 0.88 0.00 0.52 0.00 0.00 175.17 176.46 1i7y h SER 156 N 0.00 0.34 -0.54 0.00 4.64 -1.99 -1.07 113.55 114.92 1i7y h SER 156 Ca 0.00 0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 61.39 1i7y h SER 156 Cb 0.48 0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 1i7y h SER 156 CO 0.00 0.08 0.11 0.00 -0.87 0.00 0.00 176.83 176.15 1i7y h ALA 157 N 1.63 0.72 -0.54 5.18 0.00 -2.00 -1.84 119.26 122.41 1i7y h ALA 157 Ca 0.49 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1i7y h ALA 157 Cb 0.83 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1i7y h ALA 157 CO -0.46 0.44 0.19 1.25 0.00 0.00 0.00 179.25 180.67 1i7y h LEU 158 N 0.78 0.77 -0.82 0.00 6.46 -1.70 -1.72 115.31 119.08 1i7y h LEU 158 Ca 0.17 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1i7y h LEU 158 Cb 0.38 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.06 1i7y h LEU 158 CO 0.01 0.76 0.52 0.24 -0.62 0.00 0.00 178.44 179.35 1i7y h MET 159 N 0.75 1.09 -0.36 1.25 2.86 -1.04 0.20 114.93 119.68 1i7y h MET 159 Ca 0.18 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.66 1i7y h MET 159 Cb 0.25 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1i7y h MET 159 CO -0.01 0.74 -0.10 0.66 1.06 0.00 0.00 176.91 179.26 1i7y h SER 160 N 1.11 0.59 -0.25 1.22 4.64 -1.08 0.47 113.55 120.25 1i7y h SER 160 Ca 0.30 -0.16 -0.06 0.00 -0.47 0.00 0.00 61.79 61.40 1i7y h SER 160 Cb -0.09 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.83 1i7y h SER 160 CO -0.06 0.73 -0.07 -0.08 -0.87 0.00 0.00 176.83 176.48 1i7y h GLU 161 N 0.56 0.49 -0.88 4.77 4.81 -0.51 -2.14 114.58 121.69 1i7y h GLU 161 Ca 0.10 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1i7y h GLU 161 Cb 0.51 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 1i7y h GLU 161 CO 0.03 0.72 0.58 0.82 -0.73 0.00 0.00 179.01 180.42 1i7y h ILE 162 N 0.23 1.12 -0.40 2.32 2.04 -0.25 -0.12 117.51 122.45 1i7y h ILE 162 Ca 0.06 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 1i7y h ILE 162 Cb 0.54 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1i7y h ILE 162 CO 0.03 0.19 -0.02 0.00 0.00 0.00 0.00 178.15 178.35 1i7y h ALA 163 N 1.50 1.21 0.03 1.87 0.00 -0.69 -3.11 119.26 120.07 1i7y h ALA 163 Ca 0.36 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1i7y h ALA 163 Cb 0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1i7y h ALA 163 CO -0.12 0.52 -0.17 0.78 0.00 0.00 0.00 179.25 180.26 1i7y h GLY 164 N 0.93 -0.26 0.84 0.00 0.00 -0.34 -0.71 103.07 103.53 1i7y h GLY 164 Ca 0.12 0.20 0.07 0.00 0.00 0.00 0.00 47.33 47.72 1i7y h GLY 164 CO 0.02 -0.16 0.59 -0.97 0.00 0.00 0.00 176.54 176.02 1i7y h TYR 165 N -0.30 1.05 0.01 5.60 0.05 -1.45 0.21 116.97 122.14 1i7y h TYR 165 Ca 0.04 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.85 1i7y h TYR 165 Cb 0.35 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 37.75 1i7y h TYR 165 CO -0.21 0.55 -0.01 0.74 -1.05 0.00 0.00 178.16 178.18 1i7y h PHE 166 N 1.03 -0.01 -0.53 4.88 0.04 -1.42 -1.65 116.94 119.27 1i7y h PHE 166 Ca 0.39 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.17 1i7y h PHE 166 Cb 0.20 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 1i7y h PHE 166 CO -0.00 0.27 0.35 -0.44 -0.60 0.00 0.00 178.31 177.89 1i7y h ASP 167 N -0.30 0.61 -0.75 2.17 3.32 -0.59 -1.45 116.42 119.43 1i7y h ASP 167 Ca -0.00 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1i7y h ASP 167 Cb 0.29 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 1i7y h ASP 167 CO 0.00 0.44 0.39 -0.09 -1.72 0.00 0.00 179.24 178.27 1i7y h ARG 168 N 0.72 1.06 -0.12 3.56 2.43 -0.31 -0.64 114.38 121.08 1i7y h ARG 168 Ca 0.19 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 1i7y h ARG 168 Cb -0.08 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.27 1i7y h ARG 168 CO -0.04 0.80 -0.29 0.00 -1.51 0.00 0.00 179.97 178.93 1i7y h ALA 169 N 1.20 0.20 -0.76 2.80 0.00 -0.67 -2.88 119.26 119.15 1i7y h ALA 169 Ca 0.26 -0.41 0.09 0.00 0.00 0.00 0.00 54.91 54.85 1i7y h ALA 169 Cb 0.07 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1i7y h ALA 169 CO -0.04 0.21 0.42 0.00 0.00 0.00 0.00 179.25 179.84 1i7y h ALA 170 N 0.52 1.06 0.00 0.00 0.00 -1.12 -0.62 119.26 119.10 1i7y h ALA 170 Ca -0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1i7y h ALA 170 Cb 0.89 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1i7y h ALA 170 CO 0.06 0.05 -0.04 0.00 0.00 0.00 0.00 179.25 179.32 1i7y h ALA 171 N 1.43 1.03 -0.00 0.00 0.00 -1.13 -2.41 119.26 118.18 1i7y h ALA 171 Ca 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1i7y h ALA 171 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1i7y h ALA 171 CO -0.24 0.05 -0.01 0.00 0.00 0.00 0.00 179.25 179.05 1i7y n ALA 172 N -2.12 2.54 0.00 0.00 0.00 -0.24 -4.12 120.51 116.57 1i7y n ALA 172 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1i7y n ALA 172 Cb 0.29 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1i7y n ALA 172 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1i7y n VAL 173 N -1.21 0.00 0.00 0.00 0.24 -1.15 -4.00 118.33 112.22 1i7y n VAL 173 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 1i7y n VAL 173 Cb 0.23 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 32.09 1i7y n VAL 173 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69