#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c75 s ASP 23 N 0.00 6.78 0.07 4.52 -1.08 -1.26 -4.91 116.67 120.78 1c75 s ASP 23 Ca 0.00 -2.35 -0.33 0.00 -0.52 0.00 0.00 52.55 49.34 1c75 s ASP 23 Cb 0.00 -2.40 -0.19 0.00 -1.46 0.00 0.00 42.92 38.87 1c75 s ASP 23 CO 0.00 -0.97 1.62 0.00 0.52 0.00 0.00 175.17 176.34 1c75 h ALA 24 N 8.28 -0.96 -1.00 3.66 0.00 -1.94 -1.97 119.26 125.33 1c75 h ALA 24 Ca 0.21 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 55.10 1c75 h ALA 24 Cb 0.97 0.39 -0.10 0.00 0.00 0.00 0.00 17.79 19.05 1c75 h ALA 24 CO 1.16 -1.04 0.62 1.49 0.00 0.00 0.00 179.25 181.48 1c75 h GLU 25 N -0.95 0.77 -0.01 0.00 4.81 -1.94 -0.79 114.58 116.47 1c75 h GLU 25 Ca -0.09 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 1c75 h GLU 25 Cb 0.74 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1c75 h GLU 25 CO 0.14 0.51 -0.08 0.00 -0.73 0.00 0.00 179.01 178.85 1c75 h ALA 26 N 1.63 0.02 -0.99 2.92 0.00 -1.96 -2.88 119.26 118.00 1c75 h ALA 26 Ca 0.56 -0.39 0.33 0.00 0.00 0.00 0.00 54.91 55.40 1c75 h ALA 26 Cb 0.84 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.45 1c75 h ALA 26 CO -0.35 -0.06 0.21 0.28 0.00 0.00 0.00 179.25 179.33 1c75 n VAL 27 N -4.66 -0.42 -0.17 0.00 0.31 -0.75 -1.31 118.33 111.32 1c75 n VAL 27 Ca -0.09 2.12 -0.08 0.00 -0.01 0.00 0.00 64.34 66.27 1c75 n VAL 27 Cb 0.40 -3.21 0.01 0.00 -0.91 0.00 0.00 33.84 30.13 1c75 n VAL 27 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1c75 h VAL 28 N 0.00 1.20 -0.15 2.52 2.07 -1.19 0.58 116.25 121.27 1c75 h VAL 28 Ca 0.69 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 1c75 h VAL 28 Cb 1.61 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1c75 h VAL 28 CO -0.87 0.22 -0.11 1.56 0.02 0.00 0.00 177.57 178.39 1c75 h GLN 29 N 0.67 0.23 -0.09 1.57 1.08 -0.97 0.09 115.11 117.68 1c75 h GLN 29 Ca 0.17 -0.05 -0.21 0.00 -1.45 0.00 0.00 58.65 57.11 1c75 h GLN 29 Cb 0.13 -0.03 0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1c75 h GLN 29 CO -0.02 0.35 -0.77 1.96 -0.95 0.00 0.00 178.83 179.40 1c75 h GLN 30 N 0.22 0.67 0.00 1.46 4.20 -0.96 -3.41 115.11 117.29 1c75 h GLN 30 Ca 0.05 -0.61 0.00 0.00 0.06 0.00 0.00 58.65 58.15 1c75 h GLN 30 Cb 0.34 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1c75 h GLN 30 CO 0.02 1.22 -0.64 1.63 -0.67 0.00 0.00 178.83 180.39 1c75 n LYS 31 N -4.01 3.24 -0.00 1.46 5.02 0.15 -4.80 118.16 119.21 1c75 n LYS 31 Ca -0.09 -0.02 0.01 0.00 -2.02 0.00 0.00 58.31 56.19 1c75 n LYS 31 Cb 0.74 -0.88 -0.01 0.00 -0.02 0.00 0.00 35.03 34.85 1c75 n LYS 31 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c75 h ILE 33 N 0.00 0.00 -0.18 0.00 3.07 -1.77 -1.78 117.51 116.85 1c75 h ILE 33 Ca -0.01 -0.78 0.00 0.00 1.55 0.00 0.00 64.86 65.62 1c75 h ILE 33 Cb 0.34 1.77 -0.01 0.00 -0.27 0.00 0.00 36.82 38.65 1c75 h ILE 33 CO 0.00 0.00 0.12 0.77 -1.05 0.00 0.00 178.15 177.99 1c75 h SER 34 N 0.00 0.21 0.00 2.16 4.64 -1.88 -0.21 113.55 118.47 1c75 h SER 34 Ca 0.00 -0.01 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1c75 h SER 34 Cb 0.79 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 62.77 1c75 h SER 34 CO 0.00 0.16 -2.28 0.00 -0.87 0.00 0.00 176.83 173.83 1c75 n HIS 36 N -3.01 0.00 0.00 0.00 8.25 -0.68 -1.05 115.22 118.74 1c75 n HIS 36 Ca -0.37 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 1c75 n HIS 36 Cb 0.98 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.08 1c75 n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1c75 n GLY 37 N 1.35 -0.02 0.25 -1.41 0.00 -0.10 -0.55 105.19 104.71 1c75 n GLY 37 Ca 0.13 -1.56 0.03 0.00 0.00 0.00 0.00 46.02 44.63 1c75 n GLY 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1c75 h GLY 38 N 0.00 0.24 -2.50 -0.02 0.00 -1.90 -0.58 103.07 98.32 1c75 h GLY 38 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1c75 h GLY 38 CO 0.00 0.12 0.00 2.09 0.00 0.00 0.00 176.54 178.75 1c75 n ASP 39 N -4.34 4.06 -0.08 0.19 5.75 -1.26 -4.96 116.55 115.90 1c75 n ASP 39 Ca -0.01 -2.22 -0.01 0.00 -0.01 0.00 0.00 54.79 52.55 1c75 n ASP 39 Cb 0.22 -0.48 -0.00 0.00 -1.03 0.00 0.00 41.12 39.83 1c75 n ASP 39 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1c75 n LEU 40 N 1.13 0.33 -0.59 -2.12 4.77 -0.22 -4.78 117.00 115.52 1c75 n LEU 40 Ca 0.22 0.03 0.06 0.00 -0.03 0.00 0.00 56.01 56.29 1c75 n LEU 40 Cb 0.70 -1.44 0.19 0.00 -2.33 0.00 0.00 43.42 40.54 1c75 n LEU 40 CO 0.18 -0.47 0.65 0.35 -1.33 0.00 0.00 177.39 176.77 1c75 n THR 41 N -2.56 0.39 0.00 -5.08 -2.24 -1.20 -0.82 114.28 102.77 1c75 n THR 41 Ca -0.01 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1c75 n THR 41 Cb 0.24 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1c75 n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c75 n GLY 42 N 1.04 2.52 0.00 3.38 0.00 0.29 -4.16 105.19 108.25 1c75 n GLY 42 Ca 0.12 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1c75 n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c75 n ALA 43 N 1.24 0.00 0.02 4.61 0.00 -1.17 -4.33 120.51 120.88 1c75 n ALA 43 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1c75 n ALA 43 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.75 1c75 n ALA 43 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1c75 h SER 44 N 0.00 0.44 -1.65 0.00 4.64 -1.76 -3.44 113.55 111.78 1c75 h SER 44 Ca 0.00 -0.09 -0.49 0.00 -0.47 0.00 0.00 61.79 60.73 1c75 h SER 44 Cb 0.00 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 61.94 1c75 h SER 44 CO 0.00 0.55 -0.41 0.00 -0.87 0.00 0.00 176.83 176.11 1c75 s ALA 45 N -4.86 3.96 0.94 5.18 0.00 -0.21 -5.06 121.76 121.71 1c75 s ALA 45 Ca -0.07 -1.80 -0.11 0.00 0.00 0.00 0.00 51.96 49.98 1c75 s ALA 45 Cb 0.15 -1.07 0.15 0.00 0.00 0.00 0.00 23.12 22.36 1c75 s ALA 45 CO 0.76 -0.13 1.09 -2.14 0.00 0.00 0.00 175.76 175.35 1c75 s PRO 46 N -4.07 0.89 0.52 0.00 0.02 -1.26 -4.43 135.00 126.67 1c75 s PRO 46 Ca 0.45 1.03 -0.22 0.00 0.02 0.00 0.00 61.00 62.28 1c75 s PRO 46 Cb -0.04 -1.75 -0.06 0.00 0.02 0.00 0.00 34.50 32.67 1c75 s PRO 46 CO 0.27 -2.55 1.31 0.00 -0.33 0.00 0.00 177.00 175.70 1c75 s ALA 47 N -2.77 2.87 0.00 -1.55 0.00 -1.26 -4.31 121.76 114.73 1c75 s ALA 47 Ca 0.65 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.84 1c75 s ALA 47 Cb -0.20 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1c75 s ALA 47 CO 0.59 -1.18 0.74 0.44 0.00 0.00 0.00 175.76 176.34 1c75 n ILE 48 N -0.87 0.54 0.30 0.00 -5.35 -0.00 -4.85 119.36 109.12 1c75 n ILE 48 Ca 0.09 -0.61 0.17 0.00 -0.27 0.00 0.00 62.75 62.14 1c75 n ILE 48 Cb 0.46 0.80 0.79 0.00 -1.74 0.00 0.00 39.64 39.94 1c75 n ILE 48 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 1c75 h ASP 49 N 0.00 0.00 0.00 7.28 2.03 -1.64 -2.08 116.42 122.01 1c75 h ASP 49 Ca 0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 1c75 h ASP 49 Cb 0.56 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.00 1c75 h ASP 49 CO 0.00 0.00 -0.54 0.29 -1.03 0.00 0.00 179.24 177.96 1c75 n LYS 50 N -2.83 1.26 0.01 4.15 5.02 -1.26 -4.52 118.16 120.00 1c75 n LYS 50 Ca -0.00 -2.97 0.10 0.00 -2.02 0.00 0.00 58.31 53.42 1c75 n LYS 50 Cb 0.19 -1.32 0.53 0.00 -0.02 0.00 0.00 35.03 34.42 1c75 n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c75 h ALA 51 N 0.88 1.99 0.00 7.82 0.00 -1.34 -0.64 119.26 127.97 1c75 h ALA 51 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1c75 h ALA 51 Cb 1.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1c75 h ALA 51 CO 0.02 -0.07 0.00 0.78 0.00 0.00 0.00 179.25 179.98 1c75 h GLY 52 N 0.32 0.00 2.00 0.00 0.00 -0.58 -0.13 103.07 104.68 1c75 h GLY 52 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 1c75 h GLY 52 CO -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.38 1c75 h ALA 53 N 2.08 0.97 0.00 3.60 0.00 -1.06 -3.36 119.26 121.49 1c75 h ALA 53 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1c75 h ALA 53 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1c75 h ALA 53 CO 0.00 0.15 -1.31 0.09 0.00 0.00 0.00 179.25 178.18 1c75 n ASN 54 N -3.19 3.30 -4.04 0.00 3.02 -0.44 -5.04 115.26 108.87 1c75 n ASN 54 Ca 0.02 -0.01 -0.14 0.00 -0.03 0.00 0.00 54.58 54.41 1c75 n ASN 54 Cb 0.45 1.32 -0.12 0.00 -0.61 0.00 0.00 39.78 40.82 1c75 n ASN 54 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1c75 s TYR 55 N -2.48 0.65 0.79 3.10 1.51 -0.19 -5.14 117.35 115.58 1c75 s TYR 55 Ca -0.03 -0.37 -0.11 0.00 -1.01 0.00 0.00 57.07 55.55 1c75 s TYR 55 Cb 0.05 -0.39 0.06 0.00 -0.11 0.00 0.00 41.96 41.57 1c75 s TYR 55 CO 0.30 -0.05 1.10 -1.54 -1.11 0.00 0.00 175.55 174.24 1c75 s SER 56 N -1.14 4.59 0.23 2.29 1.04 -1.26 -4.38 113.70 115.07 1c75 s SER 56 Ca -0.06 1.29 -0.07 0.00 0.48 0.00 0.00 55.95 57.60 1c75 s SER 56 Cb -0.08 -2.04 0.30 0.00 0.10 0.00 0.00 66.02 64.31 1c75 s SER 56 CO 0.00 -1.90 1.82 -0.08 0.98 0.00 0.00 173.24 174.06 1c75 h GLU 57 N -1.04 0.78 -0.66 4.02 4.81 -1.91 -0.88 114.58 119.70 1c75 h GLU 57 Ca -0.47 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.64 1c75 h GLU 57 Cb 1.27 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 1c75 h GLU 57 CO 0.60 0.52 0.13 1.49 -0.73 0.00 0.00 179.01 181.01 1c75 h GLU 58 N 0.80 1.08 -0.85 1.92 4.57 -1.93 -0.03 114.58 120.14 1c75 h GLU 58 Ca 0.35 -0.28 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1c75 h GLU 58 Cb 0.22 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 1c75 h GLU 58 CO -0.19 0.99 0.52 0.93 -1.18 0.00 0.00 179.01 180.07 1c75 h GLU 59 N 1.00 1.16 -0.45 1.92 5.08 -1.76 -0.64 114.58 120.89 1c75 h GLU 59 Ca 0.20 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1c75 h GLU 59 Cb 0.42 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1c75 h GLU 59 CO 0.01 0.81 0.09 0.82 -1.00 0.00 0.00 179.01 179.74 1c75 h ILE 60 N 1.17 1.24 -0.45 3.13 2.04 -0.82 -1.68 117.51 122.14 1c75 h ILE 60 Ca 0.31 -0.85 0.03 0.00 1.00 0.00 0.00 64.86 65.35 1c75 h ILE 60 Cb -0.05 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1c75 h ILE 60 CO -0.06 0.30 0.24 0.25 0.00 0.00 0.00 178.15 178.88 1c75 h LEU 61 N 0.59 0.37 -0.83 1.44 5.85 -0.68 -0.70 115.31 121.35 1c75 h LEU 61 Ca 0.14 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1c75 h LEU 61 Cb 0.35 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1c75 h LEU 61 CO 0.00 0.26 0.55 -0.78 -0.34 0.00 0.00 178.44 178.14 1c75 h ASP 62 N 0.48 0.95 -0.48 1.25 1.82 -0.86 -0.00 116.42 119.58 1c75 h ASP 62 Ca 0.19 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1c75 h ASP 62 Cb 0.06 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 39.81 1c75 h ASP 62 CO -0.11 0.69 0.31 0.40 -1.61 0.00 0.00 179.24 178.92 1c75 h ILE 63 N 1.13 1.13 -0.28 2.25 2.04 -0.87 0.09 117.51 122.99 1c75 h ILE 63 Ca 0.31 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1c75 h ILE 63 Cb -0.13 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1c75 h ILE 63 CO -0.07 0.13 0.10 0.40 0.00 0.00 0.00 178.15 178.71 1c75 h ILE 64 N 0.65 1.19 -0.29 -0.67 2.04 -0.68 0.24 117.51 119.99 1c75 h ILE 64 Ca 0.18 -0.59 -0.09 0.00 1.00 0.00 0.00 64.86 65.35 1c75 h ILE 64 Cb -0.06 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1c75 h ILE 64 CO -0.04 0.20 -0.19 -0.07 0.00 0.00 0.00 178.15 178.05 1c75 h LEU 65 N 0.30 0.66 -0.07 1.44 3.38 -0.88 -3.27 115.31 116.88 1c75 h LEU 65 Ca 0.09 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1c75 h LEU 65 Cb 0.21 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1c75 h LEU 65 CO -0.01 0.96 -0.32 0.59 0.09 0.00 0.00 178.44 179.75 1c75 n ASN 66 N -4.36 0.41 -0.29 -0.43 3.02 0.01 -1.15 115.26 112.46 1c75 n ASN 66 Ca -0.04 -0.70 0.04 0.00 -0.03 0.00 0.00 54.58 53.85 1c75 n ASN 66 Cb 0.41 0.95 -0.01 0.00 -0.61 0.00 0.00 39.78 40.51 1c75 n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1c75 n GLY 67 N 1.13 -1.50 3.55 7.41 0.00 0.84 -3.66 105.19 112.97 1c75 n GLY 67 Ca 0.02 -1.46 -0.00 0.00 0.00 0.00 0.00 46.02 44.58 1c75 n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1c75 s GLN 68 N -1.40 0.28 6.16 1.61 0.74 -0.56 -4.54 119.66 121.96 1c75 s GLN 68 Ca 0.00 0.54 0.00 0.00 0.05 0.00 0.00 55.36 55.95 1c75 s GLN 68 Cb 0.00 0.15 0.00 0.00 1.10 0.00 0.00 33.01 34.26 1c75 s GLN 68 CO 0.00 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.08 1c75 n GLY 69 N 3.97 3.58 0.04 2.59 0.00 -1.26 -1.02 105.19 113.08 1c75 n GLY 69 Ca -0.15 0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.00 1c75 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c75 n GLY 70 N 0.00 -1.15 3.72 -0.02 0.00 -1.26 -4.76 105.19 101.72 1c75 n GLY 70 Ca 0.00 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1c75 n GLY 70 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1c75 s MET 71 N -3.08 4.46 0.71 1.61 0.00 -0.19 -5.06 119.30 117.75 1c75 s MET 71 Ca 0.07 0.98 -0.11 0.00 0.00 0.00 0.00 55.69 56.63 1c75 s MET 71 Cb 0.11 -3.45 0.02 0.00 0.00 0.00 0.00 34.83 31.51 1c75 s MET 71 CO 0.34 0.05 1.07 -2.14 0.00 0.00 0.00 175.02 174.34 1c75 s PRO 72 N 0.82 2.72 0.71 4.11 0.02 -1.26 -1.49 135.00 140.62 1c75 s PRO 72 Ca 0.40 1.09 -0.07 0.00 0.02 0.00 0.00 61.00 62.44 1c75 s PRO 72 Cb -0.18 -1.96 0.06 0.00 0.02 0.00 0.00 34.50 32.44 1c75 s PRO 72 CO 0.20 -1.28 1.02 0.20 -0.33 0.00 0.00 177.00 176.82 1c75 s GLY 73 N -3.47 1.68 0.00 0.52 0.00 -1.24 -3.79 107.32 101.02 1c75 s GLY 73 Ca 0.60 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 44.44 1c75 s GLY 73 CO 0.53 -0.48 0.00 0.61 0.00 0.00 0.00 173.10 173.76 1c75 n GLY 74 N -2.94 0.89 0.21 0.20 0.00 -0.30 -4.84 105.19 98.41 1c75 n GLY 74 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 1c75 n GLY 74 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1c75 h ILE 75 N 0.00 1.28 -4.01 -0.61 2.04 -1.82 -3.44 117.51 110.97 1c75 h ILE 75 Ca 0.00 -1.38 -0.18 0.00 1.00 0.00 0.00 64.86 64.30 1c75 h ILE 75 Cb 0.00 1.55 -0.15 0.00 -0.74 0.00 0.00 36.82 37.48 1c75 h ILE 75 CO 0.00 0.42 -0.69 0.00 0.00 0.00 0.00 178.15 177.88 1c75 s ALA 76 N -4.29 0.74 0.06 1.87 0.00 -1.26 -5.07 121.76 113.81 1c75 s ALA 76 Ca -0.05 -1.24 -0.01 0.00 0.00 0.00 0.00 51.96 50.66 1c75 s ALA 76 Cb 0.14 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 1c75 s ALA 76 CO 0.77 -0.28 -0.04 0.15 0.00 0.00 0.00 175.76 176.37 1c75 s LYS 77 N -3.71 0.64 4.27 0.00 1.02 -1.26 -4.37 119.74 116.33 1c75 s LYS 77 Ca 0.08 -1.24 0.00 0.00 0.02 0.00 0.00 55.97 54.83 1c75 s LYS 77 Cb 0.05 0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.51 1c75 s LYS 77 CO -0.07 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.68 1c75 n GLY 78 N 0.09 2.63 0.27 -3.33 0.00 -1.26 -1.66 105.19 101.94 1c75 n GLY 78 Ca -0.14 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.67 1c75 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c75 h ALA 79 N -0.65 1.69 -0.00 4.61 0.00 -2.00 -0.49 119.26 122.42 1c75 h ALA 79 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1c75 h ALA 79 Cb 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1c75 h ALA 79 CO 0.00 0.24 0.00 1.49 0.00 0.00 0.00 179.25 180.98 1c75 h GLU 80 N 0.30 0.00 -0.73 0.00 4.81 -1.90 -0.67 114.58 116.39 1c75 h GLU 80 Ca 0.07 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1c75 h GLU 80 Cb 0.12 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 1c75 h GLU 80 CO -0.00 0.15 0.44 0.00 -0.73 0.00 0.00 179.01 178.87 1c75 h ALA 81 N 0.85 0.99 -0.60 2.92 0.00 -0.67 -1.33 119.26 121.41 1c75 h ALA 81 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1c75 h ALA 81 Cb 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1c75 h ALA 81 CO -0.00 0.16 0.00 0.93 0.00 0.00 0.00 179.25 180.34 1c75 h GLU 82 N 0.81 1.04 -0.55 0.00 5.08 -0.95 0.04 114.58 120.06 1c75 h GLU 82 Ca 0.32 -0.32 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 1c75 h GLU 82 Cb 0.14 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1c75 h GLU 82 CO -0.16 1.02 -0.05 0.00 -1.00 0.00 0.00 179.01 178.81 1c75 h ALA 83 N 1.03 0.75 -0.51 3.43 0.00 -0.83 -0.94 119.26 122.20 1c75 h ALA 83 Ca 0.17 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1c75 h ALA 83 Cb 0.55 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1c75 h ALA 83 CO 0.03 0.62 0.13 0.28 0.00 0.00 0.00 179.25 180.31 1c75 h VAL 84 N 0.89 1.24 -0.65 0.00 2.07 -1.01 -1.49 116.25 117.30 1c75 h VAL 84 Ca 0.15 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1c75 h VAL 84 Cb 0.61 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1c75 h VAL 84 CO 0.04 0.31 0.35 0.00 0.02 0.00 0.00 177.57 178.29 1c75 h ALA 85 N 1.00 0.84 -0.75 1.67 0.00 -0.78 -0.32 119.26 120.91 1c75 h ALA 85 Ca 0.16 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1c75 h ALA 85 Cb 0.33 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1c75 h ALA 85 CO 0.00 0.36 0.28 0.00 0.00 0.00 0.00 179.25 179.89 1c75 h ALA 86 N 1.17 0.98 -0.27 0.00 0.00 -1.03 -0.16 119.26 119.96 1c75 h ALA 86 Ca 0.23 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1c75 h ALA 86 Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1c75 h ALA 86 CO -0.04 0.63 -0.01 2.35 0.00 0.00 0.00 179.25 182.18 1c75 h TRP 87 N 1.10 0.53 -0.15 0.00 7.01 -0.88 -3.06 115.95 120.49 1c75 h TRP 87 Ca 0.25 -0.10 -0.10 0.00 2.11 0.00 0.00 58.89 61.05 1c75 h TRP 87 Cb 0.25 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.16 1c75 h TRP 87 CO 0.02 0.65 -0.34 1.25 -2.79 0.00 0.00 178.44 177.23 1c75 h LEU 88 N 0.25 0.32 -2.22 0.65 5.85 -0.97 -2.92 115.31 116.27 1c75 h LEU 88 Ca 0.07 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1c75 h LEU 88 Cb 0.45 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 1c75 h LEU 88 CO 0.02 0.65 -0.05 0.00 -0.34 0.00 0.00 178.44 178.71 1c75 h ALA 89 N 1.38 1.22 -0.01 1.25 0.00 -0.92 -1.33 119.26 120.84 1c75 h ALA 89 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1c75 h ALA 89 Cb 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1c75 h ALA 89 CO 0.06 0.07 -0.10 0.39 0.00 0.00 0.00 179.25 179.66 1c75 n GLU 90 N -3.46 1.10 -3.28 0.00 -0.58 -1.10 -4.34 120.64 108.97 1c75 n GLU 90 Ca -0.02 -0.54 -0.42 0.00 -0.42 0.00 0.00 57.16 55.77 1c75 n GLU 90 Cb 0.18 -1.49 -0.08 0.00 -0.57 0.00 0.00 31.44 29.48 1c75 n GLU 90 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1c75 s LYS 91 N -2.27 3.49 0.00 3.49 1.02 -0.53 -4.97 119.74 119.97 1c75 s LYS 91 Ca 0.33 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 55.99 1c75 s LYS 91 Cb 0.20 -3.85 0.00 0.00 -0.52 0.00 0.00 37.83 33.67 1c75 s LYS 91 CO 0.43 -0.69 0.14 1.63 -0.92 0.00 0.00 175.35 175.94