#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d76 s VAL 5 N 0.00 2.09 0.36 -1.67 1.01 -1.26 -4.95 120.40 115.99 3d76 s VAL 5 Ca 0.00 0.07 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 3d76 s VAL 5 Cb 0.00 -3.05 -0.10 0.00 0.00 0.00 0.00 36.38 33.23 3d76 s VAL 5 CO 0.00 0.01 0.95 -2.16 0.00 0.00 0.00 175.10 173.90 3d76 s PRO 6 N 0.54 4.45 0.00 2.72 0.04 -1.26 -4.90 135.00 136.59 3d76 s PRO 6 Ca 0.70 1.26 0.17 0.00 0.04 0.00 0.00 61.00 63.16 3d76 s PRO 6 Cb -0.48 -2.57 0.99 0.00 0.04 0.00 0.00 34.50 32.48 3d76 s PRO 6 CO 0.38 0.16 1.40 -0.35 0.04 0.00 0.00 177.00 178.63 3d76 n PRO 7 N 0.11 0.52 -0.02 0.56 -0.04 -1.26 -0.97 135.00 133.90 3d76 n PRO 7 Ca 0.04 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.51 3d76 n PRO 7 Cb 0.51 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 3d76 n PRO 7 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3d76 n GLU 8 N -1.00 1.10 -0.17 0.54 0.28 -1.26 -3.64 120.64 116.49 3d76 n GLU 8 Ca 0.12 -0.06 0.28 0.00 -0.16 0.00 0.00 57.16 57.35 3d76 n GLU 8 Cb 0.06 -1.25 0.57 0.00 1.43 0.00 0.00 31.44 32.24 3d76 n GLU 8 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3d76 h VAL 9 N 0.00 0.12 -0.00 3.84 2.07 -1.44 -3.09 116.25 117.74 3d76 h VAL 9 Ca -0.10 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.25 3d76 h VAL 9 Cb 0.90 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3d76 h VAL 9 CO 0.01 0.00 -0.80 -0.26 0.02 0.00 0.00 177.57 176.54 3d76 h PHE 10 N 0.00 0.02 0.00 1.57 -1.00 -1.70 -2.81 116.94 113.02 3d76 h PHE 10 Ca 0.45 -0.01 -0.11 0.00 2.81 0.00 0.00 57.97 61.11 3d76 h PHE 10 Cb 2.47 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 42.00 3d76 h PHE 10 CO 0.00 0.80 -0.92 0.38 -1.61 0.00 0.00 178.31 176.97 3d76 h ASP 11 N 0.01 0.00 -0.90 2.17 2.03 -1.78 -2.65 116.42 115.31 3d76 h ASP 11 Ca -0.01 0.00 0.24 0.00 -0.73 0.00 0.00 57.03 56.53 3d76 h ASP 11 Cb 1.41 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.77 3d76 h ASP 11 CO 0.10 0.44 0.35 -0.07 -1.03 0.00 0.00 179.24 179.03 3d76 h LEU 12 N 0.00 0.21 0.00 0.15 4.07 -1.53 -3.13 115.31 115.08 3d76 h LEU 12 Ca -0.07 0.18 0.00 0.00 0.08 0.00 0.00 57.88 58.07 3d76 h LEU 12 Cb 1.40 0.19 0.00 0.00 1.08 0.00 0.00 40.66 43.33 3d76 h LEU 12 CO 0.05 -0.09 -1.02 0.55 -1.08 0.00 0.00 178.44 176.85 3d76 n VAL 13 N -5.12 0.10 -0.11 1.22 3.14 -1.07 -4.59 118.33 111.90 3d76 n VAL 13 Ca 0.23 -0.18 -0.06 0.00 -2.96 0.00 0.00 64.34 61.37 3d76 n VAL 13 Cb 0.71 0.36 0.02 0.00 -1.06 0.00 0.00 33.84 33.87 3d76 n VAL 13 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3d76 h ALA 14 N 2.66 0.43 -0.50 1.55 0.00 -1.41 0.19 119.26 122.17 3d76 h ALA 14 Ca 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3d76 h ALA 14 Cb 0.67 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3d76 h ALA 14 CO 0.00 -0.25 0.15 1.49 0.00 0.00 0.00 179.25 180.64 3d76 h GLU 15 N 0.29 0.78 -0.39 0.00 4.81 -1.81 -0.87 114.58 117.39 3d76 h GLU 15 Ca 0.16 -0.17 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 3d76 h GLU 15 Cb 0.13 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3d76 h GLU 15 CO -0.16 0.73 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.36 3d76 h ASP 16 N 0.68 0.64 -0.14 1.04 3.32 -1.66 -0.82 116.42 119.48 3d76 h ASP 16 Ca 0.16 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3d76 h ASP 16 Cb 0.28 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3d76 h ASP 16 CO -0.00 0.75 0.05 0.50 -1.72 0.00 0.00 179.24 178.82 3d76 h LYS 17 N 0.62 0.21 -0.45 3.56 3.64 -0.32 0.51 116.57 124.34 3d76 h LYS 17 Ca 0.12 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3d76 h LYS 17 Cb 0.48 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 3d76 h LYS 17 CO 0.02 0.32 0.27 0.00 -2.27 0.00 0.00 179.45 177.79 3d76 h ALA 18 N 0.89 0.57 0.06 5.00 0.00 -1.01 -0.31 119.26 124.46 3d76 h ALA 18 Ca 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3d76 h ALA 18 Cb 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3d76 h ALA 18 CO -0.00 0.05 -0.03 -0.09 0.00 0.00 0.00 179.25 179.18 3d76 h ARG 19 N 0.59 -0.08 -0.52 0.00 2.43 -1.03 -1.77 114.38 114.00 3d76 h ARG 19 Ca 0.16 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 3d76 h ARG 19 Cb -0.01 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3d76 h ARG 19 CO -0.03 -0.02 0.03 0.00 -1.51 0.00 0.00 179.97 178.43 3d76 h MET 21 N 0.80 0.76 -0.65 0.00 2.86 -0.98 -2.82 114.93 114.91 3d76 h MET 21 Ca 0.16 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 3d76 h MET 21 Cb 0.45 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 3d76 h MET 21 CO 0.02 0.73 0.06 1.03 1.06 0.00 0.00 176.91 179.81 3d76 h SER 22 N 0.64 1.06 -0.31 1.22 0.87 -0.86 -1.17 113.55 114.99 3d76 h SER 22 Ca 0.15 -0.27 -0.04 0.00 -1.23 0.00 0.00 61.79 60.40 3d76 h SER 22 Cb 0.30 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 3d76 h SER 22 CO -0.00 1.07 0.09 -0.33 -0.53 0.00 0.00 176.83 177.14 3d76 h GLU 23 N 1.02 0.58 -0.01 2.24 5.08 -0.98 -3.30 114.58 119.21 3d76 h GLU 23 Ca 0.19 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3d76 h GLU 23 Cb 0.49 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3d76 h GLU 23 CO 0.02 0.53 -0.07 0.72 -1.00 0.00 0.00 179.01 179.21 3d76 n HIS 24 N -4.33 0.00 -1.85 4.33 8.25 -1.07 -4.98 115.22 115.58 3d76 n HIS 24 Ca 0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.38 3d76 n HIS 24 Cb 0.19 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.28 3d76 n HIS 24 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d76 n GLY 25 N 0.70 0.43 3.76 -1.41 0.00 -0.52 -4.14 105.19 104.02 3d76 n GLY 25 Ca 0.06 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 3d76 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d76 s THR 26 N -2.47 3.39 0.15 2.61 2.01 -0.77 -4.92 115.64 115.63 3d76 s THR 26 Ca 0.00 1.37 0.05 0.00 0.31 0.00 0.00 61.69 63.42 3d76 s THR 26 Cb 0.00 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 3d76 s THR 26 CO 0.00 0.31 0.10 0.42 -0.69 0.00 0.00 174.62 174.76 3d76 s THR 27 N -1.03 4.33 0.40 -0.82 -4.23 -1.26 -4.79 115.64 108.24 3d76 s THR 27 Ca 0.46 -1.09 0.08 0.00 -1.18 0.00 0.00 61.69 59.96 3d76 s THR 27 Cb -0.33 -3.18 0.29 0.00 1.34 0.00 0.00 72.50 70.62 3d76 s THR 27 CO 0.42 -0.06 2.01 -0.61 -0.54 0.00 0.00 174.62 175.84 3d76 h GLN 28 N 2.65 0.57 -0.99 3.99 5.75 -2.00 -2.13 115.11 122.95 3d76 h GLN 28 Ca -0.47 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.05 3d76 h GLN 28 Cb 1.19 -0.13 -0.07 0.00 1.07 0.00 0.00 27.48 29.55 3d76 h GLN 28 CO 0.62 0.38 0.64 0.00 -2.65 0.00 0.00 178.83 177.83 3d76 h ALA 29 N 1.69 1.41 -0.47 3.38 0.00 -1.99 -0.24 119.26 123.04 3d76 h ALA 29 Ca 0.23 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3d76 h ALA 29 Cb 0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3d76 h ALA 29 CO -0.06 0.45 -0.13 1.96 0.00 0.00 0.00 179.25 181.47 3d76 h GLN 30 N 1.17 0.87 -0.46 0.00 4.20 -1.80 -1.55 115.11 117.55 3d76 h GLN 30 Ca 0.42 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 3d76 h GLN 30 Cb 0.15 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3d76 h GLN 30 CO -0.16 0.95 0.20 0.82 -0.67 0.00 0.00 178.83 179.96 3d76 h ILE 31 N 0.78 1.20 -0.79 2.54 2.04 -1.06 -2.25 117.51 119.97 3d76 h ILE 31 Ca 0.12 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3d76 h ILE 31 Cb 0.64 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 3d76 h ILE 31 CO 0.04 0.23 0.50 0.44 0.00 0.00 0.00 178.15 179.36 3d76 h ASP 32 N 0.60 0.92 -0.25 1.72 3.32 -0.90 -1.57 116.42 120.26 3d76 h ASP 32 Ca 0.15 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3d76 h ASP 32 Cb 0.17 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3d76 h ASP 32 CO -0.01 0.68 0.04 0.44 -1.72 0.00 0.00 179.24 178.66 3d76 h ASP 33 N 1.07 0.40 -0.68 6.45 3.32 -1.02 -0.73 116.42 125.24 3d76 h ASP 33 Ca 0.29 -0.27 0.08 0.00 0.02 0.00 0.00 57.03 57.15 3d76 h ASP 33 Cb -0.10 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.28 3d76 h ASP 33 CO -0.06 0.57 0.35 0.58 -1.72 0.00 0.00 179.24 178.96 3d76 h VAL 34 N 0.22 0.90 0.00 -1.35 2.07 -0.99 0.49 116.25 117.60 3d76 h VAL 34 Ca 0.08 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3d76 h VAL 34 Cb 0.34 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3d76 h VAL 34 CO 0.01 0.11 -0.06 0.78 0.02 0.00 0.00 177.57 178.44 3d76 h ASN 35 N 0.63 0.00 0.09 0.57 2.35 -0.83 0.45 115.58 118.85 3d76 h ASN 35 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 3d76 h ASN 35 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3d76 h ASN 35 CO -0.23 0.06 -0.03 0.29 -1.65 0.00 0.00 177.43 175.87 3d76 n LYS 36 N -3.28 1.12 -0.38 0.81 5.02 -0.29 -4.91 118.16 116.25 3d76 n LYS 36 Ca -0.01 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 55.93 3d76 n LYS 36 Cb 0.24 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 3d76 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d76 n GLY 37 N 1.13 0.75 3.60 0.72 0.00 0.15 -5.07 105.19 106.47 3d76 n GLY 37 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 3d76 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d76 s ASN 38 N -2.53 6.04 -0.10 1.61 0.01 0.01 -4.96 114.94 115.03 3d76 s ASN 38 Ca 0.00 0.02 -0.04 0.00 -0.71 0.00 0.00 52.86 52.13 3d76 s ASN 38 Cb 0.00 -2.12 0.05 0.00 0.41 0.00 0.00 41.25 39.59 3d76 s ASN 38 CO 0.00 -0.03 0.21 -0.22 -1.51 0.00 0.00 177.10 175.55 3d76 s LEU 39 N 1.61 0.02 0.34 0.60 2.96 -1.26 -2.63 118.68 120.32 3d76 s LEU 39 Ca 0.07 0.45 0.08 0.00 -0.22 0.00 0.00 54.13 54.51 3d76 s LEU 39 Cb -0.15 0.50 -0.04 0.00 0.50 0.00 0.00 46.19 46.99 3d76 s LEU 39 CO 0.10 -0.22 0.16 0.68 -1.32 0.00 0.00 176.35 175.75 3d76 s VAL 40 N 2.04 3.10 -1.27 1.68 -7.23 -1.26 -5.03 120.40 112.44 3d76 s VAL 40 Ca -0.01 -1.65 -0.07 0.00 -1.81 0.00 0.00 61.98 58.44 3d76 s VAL 40 Cb -0.12 -3.01 -0.02 0.00 0.56 0.00 0.00 36.38 33.80 3d76 s VAL 40 CO -0.07 -0.18 2.80 -3.20 -0.31 0.00 0.00 175.10 174.14 3d76 n ASN 41 N -1.18 7.99 -4.50 4.85 5.15 -1.26 -4.78 115.26 121.53 3d76 n ASN 41 Ca -0.03 -2.83 -0.37 0.00 -0.60 0.00 0.00 54.58 50.76 3d76 n ASN 41 Cb 0.61 -1.45 -0.12 0.00 -0.53 0.00 0.00 39.78 38.29 3d76 n ASN 41 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3d76 s GLU 42 N 0.50 3.77 0.38 1.20 0.41 -1.26 -5.01 118.70 118.68 3d76 s GLU 42 Ca 0.63 -0.42 0.15 0.00 -0.41 0.00 0.00 54.97 54.92 3d76 s GLU 42 Cb 0.21 -3.43 1.02 0.00 -1.78 0.00 0.00 34.13 30.15 3d76 s GLU 42 CO -0.08 -0.17 1.79 -1.35 -0.49 0.00 0.00 175.26 174.96 3d76 h PRO 43 N 8.21 0.46 -0.47 0.39 0.11 -1.96 -0.39 132.00 138.36 3d76 h PRO 43 Ca -0.37 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 65.83 3d76 h PRO 43 Cb 1.18 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3d76 h PRO 43 CO 0.57 0.31 0.33 0.66 -0.21 0.00 0.00 178.00 179.66 3d76 h SER 44 N 0.48 0.10 0.00 -2.05 4.64 -1.92 0.93 113.55 115.73 3d76 h SER 44 Ca 0.57 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.54 3d76 h SER 44 Cb 1.31 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 63.32 3d76 h SER 44 CO -0.30 0.06 -2.34 0.00 -0.87 0.00 0.00 176.83 173.38 3d76 n ILE 45 N -4.43 1.34 -0.04 0.95 0.13 -0.30 -3.92 119.36 113.10 3d76 n ILE 45 Ca 0.08 -0.61 -0.13 0.00 -1.10 0.00 0.00 62.75 61.00 3d76 n ILE 45 Cb 0.47 -1.09 -0.00 0.00 -0.84 0.00 0.00 39.64 38.18 3d76 n ILE 45 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 3d76 h THR 46 N 0.00 1.30 0.00 9.51 1.35 -1.05 -2.03 112.91 121.99 3d76 h THR 46 Ca -0.52 -1.79 -0.09 0.00 -0.55 0.00 0.00 66.41 63.46 3d76 h THR 46 Cb 1.93 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 70.06 3d76 h THR 46 CO -0.05 0.57 -0.42 0.00 -0.25 0.00 0.00 175.52 175.37 3d76 h TYR 48 N 0.00 0.42 -0.12 0.00 3.20 -1.61 0.16 116.97 119.03 3d76 h TYR 48 Ca -0.00 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 3d76 h TYR 48 Cb 0.94 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.07 3d76 h TYR 48 CO 0.00 0.35 -0.00 0.52 -1.64 0.00 0.00 178.16 177.39 3d76 h MET 49 N 0.38 0.22 -0.41 1.82 2.86 -1.25 -1.24 114.93 117.30 3d76 h MET 49 Ca 0.11 -0.07 0.08 0.00 -2.06 0.00 0.00 59.70 57.76 3d76 h MET 49 Cb 0.07 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.64 3d76 h MET 49 CO -0.02 0.46 -0.03 -0.92 1.06 0.00 0.00 176.91 177.47 3d76 h TYR 50 N -0.06 -0.08 -0.76 -0.22 3.20 -1.34 -1.81 116.97 115.91 3d76 h TYR 50 Ca 0.03 0.03 0.13 0.00 3.14 0.00 0.00 58.73 62.07 3d76 h TYR 50 Cb 0.37 0.10 -0.09 0.00 1.54 0.00 0.00 36.73 38.65 3d76 h TYR 50 CO 0.03 -0.11 0.34 0.00 -1.64 0.00 0.00 178.16 176.78 3d76 h LEU 52 N 0.51 0.84 -0.85 0.00 5.85 -0.91 -1.80 115.31 118.95 3d76 h LEU 52 Ca 0.41 -0.72 0.04 0.00 0.84 0.00 0.00 57.88 58.45 3d76 h LEU 52 Cb 0.57 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 3d76 h LEU 52 CO -0.36 1.44 0.54 -0.07 -0.34 0.00 0.00 178.44 179.65 3d76 h LEU 53 N 0.32 0.90 -0.46 2.25 3.38 -1.11 -2.38 115.31 118.20 3d76 h LEU 53 Ca -0.10 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3d76 h LEU 53 Cb 1.55 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 3d76 h LEU 53 CO 0.18 0.61 0.16 -0.08 0.09 0.00 0.00 178.44 179.40 3d76 h GLU 54 N 1.05 0.71 -0.99 1.13 4.22 -1.19 0.32 114.58 119.82 3d76 h GLU 54 Ca 0.34 -0.14 0.16 0.00 0.08 0.00 0.00 59.36 59.80 3d76 h GLU 54 Cb 0.02 -0.11 -0.10 0.00 0.50 0.00 0.00 28.75 29.07 3d76 h GLU 54 CO -0.12 0.66 0.62 0.00 -2.18 0.00 0.00 179.01 177.99 3d76 h ALA 55 N 1.01 1.66 -0.58 2.92 0.00 -0.98 0.20 119.26 123.50 3d76 h ALA 55 Ca 0.15 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3d76 h ALA 55 Cb 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3d76 h ALA 55 CO -0.01 0.02 0.00 1.19 0.00 0.00 0.00 179.25 180.45 3d76 n PHE 56 N -4.69 1.28 -2.68 0.00 3.72 -0.93 -4.94 117.46 109.22 3d76 n PHE 56 Ca 0.21 -0.51 -0.20 0.00 -0.05 0.00 0.00 57.45 56.89 3d76 n PHE 56 Cb 0.50 -0.20 0.01 0.00 -0.94 0.00 0.00 39.48 38.85 3d76 n PHE 56 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3d76 n SER 57 N 1.00 -5.78 0.01 4.37 7.64 0.06 -4.87 113.62 116.04 3d76 n SER 57 Ca 0.23 -0.15 0.11 0.00 1.01 0.00 0.00 58.87 60.07 3d76 n SER 57 Cb 0.78 -4.71 0.03 0.00 -1.01 0.00 0.00 64.21 59.29 3d76 n SER 57 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3d76 n LEU 58 N -3.34 0.69 -4.09 -3.43 4.77 0.11 -4.80 117.00 106.91 3d76 n LEU 58 Ca -0.17 -0.18 -0.10 0.00 -0.03 0.00 0.00 56.01 55.53 3d76 n LEU 58 Cb 0.65 -0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.53 3d76 n LEU 58 CO 0.36 0.13 -0.38 0.68 -1.33 0.00 0.00 177.39 176.85 3d76 s VAL 59 N -3.09 0.46 0.19 4.08 -7.23 -1.21 -0.29 120.40 113.31 3d76 s VAL 59 Ca 0.07 -1.45 0.03 0.00 -1.81 0.00 0.00 61.98 58.82 3d76 s VAL 59 Cb 0.16 -1.05 0.03 0.00 0.56 0.00 0.00 36.38 36.08 3d76 s VAL 59 CO 0.80 -0.67 0.26 -0.90 -0.31 0.00 0.00 175.10 174.28 3d76 n ASP 60 N 0.77 0.75 0.16 4.85 5.68 -0.74 -4.58 116.55 123.44 3d76 n ASP 60 Ca -0.18 -1.51 0.11 0.00 -0.50 0.00 0.00 54.79 52.70 3d76 n ASP 60 Cb 0.58 -0.13 0.56 0.00 -1.14 0.00 0.00 41.12 40.99 3d76 n ASP 60 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3d76 n ASP 61 N -2.73 0.54 -1.51 -1.12 5.75 -1.26 -1.37 116.55 114.85 3d76 n ASP 61 Ca 0.05 0.74 -0.13 0.00 -0.01 0.00 0.00 54.79 55.44 3d76 n ASP 61 Cb 0.20 -0.80 0.09 0.00 -1.03 0.00 0.00 41.12 39.59 3d76 n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3d76 n GLU 62 N -2.23 2.82 -2.45 0.11 1.02 -1.26 -4.97 120.64 113.67 3d76 n GLU 62 Ca -0.01 -3.81 -0.12 0.00 -0.02 0.00 0.00 57.16 53.20 3d76 n GLU 62 Cb 0.07 -2.03 -0.01 0.00 -0.02 0.00 0.00 31.44 29.45 3d76 n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3d76 n ALA 63 N -0.88 -0.78 -2.39 0.62 0.00 -0.47 -4.90 120.51 111.71 3d76 n ALA 63 Ca 0.36 0.10 -0.42 0.00 0.00 0.00 0.00 53.44 53.47 3d76 n ALA 63 Cb 0.87 -1.52 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 3d76 n ALA 63 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3d76 s ASN 64 N -2.04 7.03 -0.08 0.00 0.01 -1.26 -4.67 114.94 113.93 3d76 s ASN 64 Ca 0.01 2.00 -0.21 0.00 -0.71 0.00 0.00 52.86 53.94 3d76 s ASN 64 Cb -0.00 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 3d76 s ASN 64 CO 0.01 -0.54 0.62 -0.69 -1.51 0.00 0.00 177.10 174.99 3d76 s VAL 65 N 1.50 5.10 -0.89 1.60 1.01 -1.26 -1.79 120.40 125.67 3d76 s VAL 65 Ca 0.59 1.26 -0.22 0.00 0.00 0.00 0.00 61.98 63.61 3d76 s VAL 65 Cb -0.29 -3.96 0.08 0.00 0.00 0.00 0.00 36.38 32.22 3d76 s VAL 65 CO 0.27 0.28 1.21 -0.62 0.00 0.00 0.00 175.10 176.24 3d76 s ASP 66 N 0.72 6.45 0.27 3.32 -1.08 0.61 -4.89 116.67 122.06 3d76 s ASP 66 Ca 0.33 -1.50 0.01 0.00 -0.52 0.00 0.00 52.55 50.87 3d76 s ASP 66 Cb -0.17 -2.47 0.37 0.00 -1.46 0.00 0.00 42.92 39.19 3d76 s ASP 66 CO 0.15 -1.35 1.70 -0.08 0.52 0.00 0.00 175.17 176.12 3d76 h GLU 67 N 9.39 0.53 0.19 4.34 4.81 -1.96 -0.35 114.58 131.53 3d76 h GLU 67 Ca 0.04 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 3d76 h GLU 67 Cb 1.03 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.38 3d76 h GLU 67 CO 1.24 0.74 -0.09 -0.44 -0.73 0.00 0.00 179.01 179.72 3d76 h ASP 68 N 0.47 -0.21 -0.96 1.04 3.32 -1.98 0.25 116.42 118.34 3d76 h ASP 68 Ca 0.07 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.03 3d76 h ASP 68 Cb 0.68 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.24 3d76 h ASP 68 CO 0.05 -0.01 0.63 0.40 -1.72 0.00 0.00 179.24 178.59 3d76 h ILE 69 N -0.42 1.18 0.38 0.35 2.04 -1.88 -1.83 117.51 117.34 3d76 h ILE 69 Ca -0.03 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 3d76 h ILE 69 Cb 0.32 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 3d76 h ILE 69 CO 0.04 0.22 -0.18 -0.03 0.00 0.00 0.00 178.15 178.20 3d76 h MET 70 N 1.23 -0.49 -0.41 2.37 4.05 -0.69 -2.89 114.93 118.09 3d76 h MET 70 Ca 0.37 0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.86 3d76 h MET 70 Cb -0.03 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 3d76 h MET 70 CO -0.11 -0.32 0.28 -0.07 0.23 0.00 0.00 176.91 176.92 3d76 h LEU 71 N -0.53 0.38 -1.56 3.39 3.38 -0.35 -1.84 115.31 118.18 3d76 h LEU 71 Ca -0.05 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3d76 h LEU 71 Cb 0.40 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3d76 h LEU 71 CO 0.09 0.26 -0.21 1.23 0.09 0.00 0.00 178.44 179.89 3d76 h GLY 72 N 0.44 0.01 0.97 0.83 0.00 -1.13 -0.63 103.07 103.55 3d76 h GLY 72 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3d76 h GLY 72 CO -0.04 0.01 -0.00 1.04 0.00 0.00 0.00 176.54 177.54 3d76 n LEU 73 N -4.28 0.11 -4.93 3.11 4.32 -0.69 -4.88 117.00 109.75 3d76 n LEU 73 Ca -0.02 -0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.68 3d76 n LEU 73 Cb 0.27 -0.04 -0.04 0.00 -1.62 0.00 0.00 43.42 42.00 3d76 n LEU 73 CO 0.37 0.02 -0.12 -0.76 -1.22 0.00 0.00 177.39 175.68 3d76 s LEU 74 N -2.08 4.35 0.49 2.23 1.43 -0.25 -5.05 118.68 119.80 3d76 s LEU 74 Ca 0.45 0.22 -0.24 0.00 -1.03 0.00 0.00 54.13 53.53 3d76 s LEU 74 Cb 0.22 -2.94 -0.07 0.00 0.03 0.00 0.00 46.19 43.43 3d76 s LEU 74 CO 0.38 0.11 1.35 -2.16 0.23 0.00 0.00 176.35 176.26 3d76 s PRO 75 N -2.88 3.50 0.28 1.29 0.04 -1.26 -4.81 135.00 131.16 3d76 s PRO 75 Ca 0.35 2.24 -0.07 0.00 0.04 0.00 0.00 61.00 63.55 3d76 s PRO 75 Cb -0.12 -2.48 0.49 0.00 0.04 0.00 0.00 34.50 32.43 3d76 s PRO 75 CO 0.28 -0.90 1.57 0.22 0.04 0.00 0.00 177.00 178.21 3d76 h ASP 76 N 1.98 -0.84 0.38 6.66 3.58 -1.97 0.28 116.42 126.50 3d76 h ASP 76 Ca -0.51 0.29 -0.02 0.00 0.42 0.00 0.00 57.03 57.22 3d76 h ASP 76 Cb 1.28 0.59 -0.00 0.00 1.72 0.00 0.00 39.33 42.91 3d76 h ASP 76 CO 0.60 -0.33 -0.09 0.06 -2.88 0.00 0.00 179.24 176.60 3d76 h GLN 77 N 0.00 0.00 0.00 0.28 -0.00 -2.03 -2.98 115.11 110.38 3d76 h GLN 77 Ca 0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 59.09 3d76 h GLN 77 Cb 0.79 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.26 3d76 h GLN 77 CO -0.99 0.09 -1.48 1.28 -0.00 0.00 0.00 178.83 177.72 3d76 n LEU 78 N -3.52 0.51 -0.29 0.06 4.77 0.03 -4.60 117.00 113.96 3d76 n LEU 78 Ca -0.02 0.20 -0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3d76 n LEU 78 Cb 0.22 0.01 0.19 0.00 -2.33 0.00 0.00 43.42 41.51 3d76 n LEU 78 CO 0.28 -0.04 1.26 1.56 -1.33 0.00 0.00 177.39 179.13 3d76 h GLN 79 N 0.00 1.12 -0.33 3.23 4.20 -1.23 -0.15 115.11 121.95 3d76 h GLN 79 Ca -0.05 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 3d76 h GLN 79 Cb 1.15 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 3d76 h GLN 79 CO 0.01 0.74 0.09 0.93 -0.67 0.00 0.00 178.83 179.93 3d76 h GLU 80 N 1.16 0.52 -0.65 1.46 5.08 -1.81 0.18 114.58 120.52 3d76 h GLU 80 Ca 0.32 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.48 3d76 h GLU 80 Cb -0.11 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3d76 h GLU 80 CO -0.08 0.57 0.06 -0.09 -1.00 0.00 0.00 179.01 178.48 3d76 h ARG 81 N 0.38 1.09 -0.26 2.33 2.43 -1.78 -0.76 114.38 117.82 3d76 h ARG 81 Ca 0.11 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 3d76 h ARG 81 Cb 0.27 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3d76 h ARG 81 CO -0.00 1.02 0.07 0.00 -1.51 0.00 0.00 179.97 179.55 3d76 h ALA 82 N 1.04 0.34 -1.00 2.80 0.00 -0.84 -1.16 119.26 120.44 3d76 h ALA 82 Ca 0.19 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3d76 h ALA 82 Cb 0.49 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3d76 h ALA 82 CO 0.02 -0.01 0.66 0.37 0.00 0.00 0.00 179.25 180.29 3d76 h GLN 83 N 0.25 1.32 0.02 0.00 4.15 -0.47 0.79 115.11 121.17 3d76 h GLN 83 Ca 0.08 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.43 3d76 h GLN 83 Cb 0.27 -0.30 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 3d76 h GLN 83 CO -0.00 0.88 -0.10 1.03 -1.93 0.00 0.00 178.83 178.71 3d76 h SER 84 N 1.36 -0.28 -0.34 -0.69 0.87 -0.89 -1.31 113.55 112.28 3d76 h SER 84 Ca 0.37 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.86 3d76 h SER 84 Cb -0.15 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 3d76 h SER 84 CO -0.08 -0.14 -0.15 1.62 -0.53 0.00 0.00 176.83 177.54 3d76 h VAL 85 N -0.18 1.26 -0.09 2.23 3.04 -0.64 -2.02 116.25 119.85 3d76 h VAL 85 Ca 0.03 -1.24 -0.07 0.00 -1.01 0.00 0.00 66.70 64.41 3d76 h VAL 85 Cb 0.21 1.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.59 3d76 h VAL 85 CO -0.09 0.42 -0.25 0.24 -1.01 0.00 0.00 177.57 176.89 3d76 h MET 86 N 0.71 0.16 -0.65 4.17 2.07 -0.76 0.41 114.93 121.03 3d76 h MET 86 Ca 0.11 -0.05 0.06 0.00 -2.07 0.00 0.00 59.70 57.75 3d76 h MET 86 Cb 0.65 -0.02 -0.06 0.00 -1.87 0.00 0.00 31.60 30.31 3d76 h MET 86 CO 0.05 0.41 0.36 0.78 1.07 0.00 0.00 176.91 179.57 3d76 h GLY 87 N 0.91 0.96 0.80 8.32 0.00 -0.52 -0.84 103.07 112.70 3d76 h GLY 87 Ca 0.02 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 47.01 3d76 h GLY 87 CO 0.04 0.14 -0.29 1.70 0.00 0.00 0.00 176.54 178.13 3d76 h LYS 88 N 0.66 0.45 -0.01 4.80 3.64 -0.79 -3.39 116.57 121.93 3d76 h LYS 88 Ca 0.30 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3d76 h LYS 88 Cb 0.20 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3d76 h LYS 88 CO -0.19 0.90 -0.50 0.00 -2.27 0.00 0.00 179.45 177.39 3d76 s LEU 90 N -2.56 2.93 0.67 0.00 1.43 -0.34 -4.42 118.68 116.40 3d76 s LEU 90 Ca 0.18 -0.63 -0.15 0.00 -1.03 0.00 0.00 54.13 52.51 3d76 s LEU 90 Cb 0.18 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.81 3d76 s LEU 90 CO 0.60 0.09 1.11 -2.16 0.23 0.00 0.00 176.35 176.23 3d76 s PRO 91 N -2.93 2.71 0.72 1.29 0.04 -1.26 -4.83 135.00 130.75 3d76 s PRO 91 Ca 0.25 1.39 -0.13 0.00 0.04 0.00 0.00 61.00 62.55 3d76 s PRO 91 Cb -0.08 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.55 3d76 s PRO 91 CO 0.15 -1.32 1.12 0.95 0.04 0.00 0.00 177.00 177.95 3d76 s THR 92 N -2.37 3.00 0.06 1.26 -4.23 -1.26 -5.06 115.64 107.05 3d76 s THR 92 Ca 0.67 0.42 -0.20 0.00 -1.18 0.00 0.00 61.69 61.40 3d76 s THR 92 Cb -0.21 -2.90 0.05 0.00 1.34 0.00 0.00 72.50 70.78 3d76 s THR 92 CO 0.43 -0.33 0.47 -0.94 -0.54 0.00 0.00 174.62 173.71 3d76 s SER 93 N -2.70 -0.37 0.00 3.99 1.04 -1.26 -5.02 113.70 109.38 3d76 s SER 93 Ca 0.67 0.04 0.00 0.00 0.48 0.00 0.00 55.95 57.14 3d76 s SER 93 Cb -0.21 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.38 3d76 s SER 93 CO 0.47 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.57 3d76 n GLY 94 N 0.31 -2.80 0.10 7.32 0.00 -1.26 -4.28 105.19 104.57 3d76 n GLY 94 Ca -0.18 -1.35 0.12 0.00 0.00 0.00 0.00 46.02 44.62 3d76 n GLY 94 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3d76 h SER 95 N 0.00 0.00 -5.72 1.61 4.64 -1.99 -3.45 113.55 108.64 3d76 h SER 95 Ca 0.00 -0.09 0.30 0.00 -0.47 0.00 0.00 61.79 61.53 3d76 h SER 95 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 3d76 h SER 95 CO 0.00 0.05 0.80 1.51 -0.87 0.00 0.00 176.83 178.31 3d76 s ASP 96 N -4.62 -0.04 0.34 4.97 1.47 -1.26 -5.02 116.67 112.50 3d76 s ASP 96 Ca 0.08 -0.23 0.01 0.00 1.18 0.00 0.00 52.55 53.59 3d76 s ASP 96 Cb 0.12 0.22 0.59 0.00 -0.34 0.00 0.00 42.92 43.51 3d76 s ASP 96 CO 0.67 -0.42 2.00 0.78 0.68 0.00 0.00 175.17 178.88 3d76 h ASN 97 N 2.00 0.77 -0.20 2.11 2.35 -1.92 0.65 115.58 121.34 3d76 h ASN 97 Ca -0.27 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.37 3d76 h ASN 97 Cb 1.20 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 39.38 3d76 h ASN 97 CO 0.30 0.57 -0.19 0.00 -1.65 0.00 0.00 177.43 176.45 3d76 h ASN 99 N 0.16 0.18 -0.72 0.00 -1.24 -1.75 0.49 115.58 112.70 3d76 h ASN 99 Ca 0.03 -0.05 -0.05 0.00 0.71 0.00 0.00 56.30 56.94 3d76 h ASN 99 Cb 0.74 -0.05 -0.03 0.00 0.73 0.00 0.00 38.32 39.71 3d76 h ASN 99 CO 0.05 0.43 0.26 0.11 -1.29 0.00 0.00 177.43 176.99 3d76 h LYS 100 N 0.17 1.10 0.10 6.67 1.57 -0.85 -0.72 116.57 124.61 3d76 h LYS 100 Ca 0.03 -0.22 -0.26 0.00 -1.87 0.00 0.00 60.65 58.33 3d76 h LYS 100 Cb 0.52 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.67 3d76 h LYS 100 CO 0.04 0.93 -1.16 0.82 -0.57 0.00 0.00 179.45 179.50 3d76 h ILE 101 N 1.05 1.45 -0.34 1.86 1.08 -1.15 -2.17 117.51 119.30 3d76 h ILE 101 Ca 0.24 -2.83 0.07 0.00 -0.39 0.00 0.00 64.86 61.95 3d76 h ILE 101 Cb 0.26 2.78 -0.08 0.00 -3.07 0.00 0.00 36.82 36.71 3d76 h ILE 101 CO -0.01 0.83 -0.24 0.22 -0.69 0.00 0.00 178.15 178.26 3d76 h TYR 102 N 0.13 -0.64 -0.52 1.37 3.20 -0.81 0.82 116.97 120.53 3d76 h TYR 102 Ca -0.13 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.74 3d76 h TYR 102 Cb 1.86 0.33 -0.02 0.00 1.54 0.00 0.00 36.73 40.43 3d76 h TYR 102 CO 0.07 -0.32 0.13 -0.91 -1.64 0.00 0.00 178.16 175.49 3d76 h ASN 103 N -0.20 0.73 -0.27 -2.11 -0.26 -0.99 -0.89 115.58 111.58 3d76 h ASN 103 Ca 0.17 -0.12 -0.10 0.00 -0.56 0.00 0.00 56.30 55.69 3d76 h ASN 103 Cb 0.47 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.53 3d76 h ASN 103 CO -0.45 0.72 -0.21 0.25 -1.06 0.00 0.00 177.43 176.67 3d76 h LEU 104 N 0.76 0.66 -0.50 1.61 5.85 -1.16 -1.14 115.31 121.39 3d76 h LEU 104 Ca 0.17 -0.45 0.03 0.00 0.84 0.00 0.00 57.88 58.47 3d76 h LEU 104 Cb 0.27 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3d76 h LEU 104 CO -0.00 0.97 0.29 0.00 -0.34 0.00 0.00 178.44 179.35 3d76 h ALA 105 N 0.71 0.64 -0.30 1.25 0.00 -0.53 0.24 119.26 121.28 3d76 h ALA 105 Ca 0.05 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3d76 h ALA 105 Cb 0.75 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3d76 h ALA 105 CO 0.06 -0.02 0.18 0.87 0.00 0.00 0.00 179.25 180.34 3d76 h LYS 106 N 0.58 0.36 -0.13 0.00 1.79 -1.13 -0.26 116.57 117.78 3d76 h LYS 106 Ca 0.21 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.67 3d76 h LYS 106 Cb 0.04 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 3d76 h LYS 106 CO -0.10 0.24 0.02 0.00 -1.08 0.00 0.00 179.45 178.53 3d76 h VAL 108 N 0.07 1.26 -0.63 0.00 2.07 -0.77 -2.02 116.25 116.23 3d76 h VAL 108 Ca 0.06 -1.04 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 3d76 h VAL 108 Cb 0.05 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3d76 h VAL 108 CO -0.08 0.36 0.24 1.56 0.02 0.00 0.00 177.57 179.67 3d76 h GLN 109 N 0.62 0.94 -0.80 1.57 4.20 -0.86 0.14 115.11 120.92 3d76 h GLN 109 Ca 0.12 -0.18 0.07 0.00 0.06 0.00 0.00 58.65 58.73 3d76 h GLN 109 Cb 0.50 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.08 3d76 h GLN 109 CO 0.02 0.80 0.53 0.93 -0.67 0.00 0.00 178.83 180.44 3d76 h GLU 110 N 0.88 0.83 0.00 1.46 5.08 -0.81 -3.35 114.58 118.67 3d76 h GLU 110 Ca 0.21 -0.05 -0.38 0.00 -1.00 0.00 0.00 59.36 58.14 3d76 h GLU 110 Cb 0.22 -0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.21 3d76 h GLU 110 CO -0.02 0.55 -2.43 0.43 -1.00 0.00 0.00 179.01 176.55 3d76 n SER 111 N -4.49 1.10 -3.35 1.42 7.64 -0.77 -4.88 113.62 110.28 3d76 n SER 111 Ca 0.12 -0.07 -0.12 0.00 1.01 0.00 0.00 58.87 59.81 3d76 n SER 111 Cb 0.23 0.21 -0.08 0.00 -1.01 0.00 0.00 64.21 63.57 3d76 n SER 111 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3d76 s ALA 112 N -2.51 -0.93 -0.51 -0.43 0.00 0.44 -5.05 121.76 112.78 3d76 s ALA 112 Ca -0.24 0.19 0.02 0.00 0.00 0.00 0.00 51.96 51.94 3d76 s ALA 112 Cb 0.08 -1.89 0.48 0.00 0.00 0.00 0.00 23.12 21.78 3d76 s ALA 112 CO 0.71 -1.63 1.74 -0.35 0.00 0.00 0.00 175.76 176.22 3d76 n PRO 113 N 5.34 2.81 0.00 0.00 -0.04 -1.26 -2.75 135.00 139.11 3d76 n PRO 113 Ca -0.01 -3.50 0.05 0.00 -0.04 0.00 0.00 63.50 60.01 3d76 n PRO 113 Cb 0.49 -2.23 -0.00 0.00 -0.04 0.00 0.00 33.50 31.72 3d76 n PRO 113 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3d76 n ASP 114 N -0.91 1.26 -0.05 3.54 8.00 -1.26 -4.89 116.55 122.25 3d76 n ASP 114 Ca 0.54 -1.13 -0.17 0.00 0.71 0.00 0.00 54.79 54.74 3d76 n ASP 114 Cb 0.88 0.48 -0.14 0.00 -0.02 0.00 0.00 41.12 42.32 3d76 n ASP 114 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3d76 n VAL 115 N -0.25 1.63 -2.90 2.53 0.31 -1.11 -4.74 118.33 113.80 3d76 n VAL 115 Ca 0.04 -0.68 -0.44 0.00 -0.01 0.00 0.00 64.34 63.26 3d76 n VAL 115 Cb 0.23 -1.38 -0.03 0.00 -0.91 0.00 0.00 33.84 31.75 3d76 n VAL 115 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 3d76 s TRP 116 N -2.55 3.03 0.01 3.52 -0.11 -1.26 -4.99 118.94 116.59 3d76 s TRP 116 Ca -0.21 -1.25 0.02 0.00 1.22 0.00 0.00 56.10 55.88 3d76 s TRP 116 Cb 0.07 -4.30 -0.04 0.00 -1.50 0.00 0.00 33.47 27.71 3d76 s TRP 116 CO 0.74 -1.53 0.00 0.12 -4.62 0.00 0.00 176.95 171.67 3d76 s PHE 117 N 2.97 3.07 -0.15 5.86 2.19 -1.26 -4.82 117.98 125.83 3d76 s PHE 117 Ca 0.32 0.07 0.01 0.00 0.33 0.00 0.00 56.93 57.66 3d76 s PHE 117 Cb -0.06 -1.66 0.01 0.00 -1.31 0.00 0.00 43.02 39.99 3d76 s PHE 117 CO -0.07 0.46 -0.19 0.08 1.83 0.00 0.00 175.22 177.33 3d76 s VAL 118 N -1.11 2.31 -2.00 3.12 1.01 -1.26 -5.10 120.40 117.38 3d76 s VAL 118 Ca 0.20 -0.89 0.24 0.00 0.00 0.00 0.00 61.98 61.54 3d76 s VAL 118 Cb -0.12 -1.95 0.70 0.00 0.00 0.00 0.00 36.38 35.01 3d76 s VAL 118 CO 0.11 0.53 1.82 -0.38 0.00 0.00 0.00 175.10 177.19