#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k3g s ASP 23 N 0.00 6.57 0.13 6.55 1.01 -1.26 -4.91 116.67 124.76 1k3g s ASP 23 Ca 0.00 -1.98 -0.20 0.00 0.71 0.00 0.00 52.55 51.09 1k3g s ASP 23 Cb 0.00 -2.37 -0.01 0.00 1.01 0.00 0.00 42.92 41.55 1k3g s ASP 23 CO 0.00 -1.04 1.70 0.00 0.21 0.00 0.00 175.17 176.04 1k3g h ALA 24 N 8.80 0.16 -0.22 5.23 0.00 -1.95 0.46 119.26 131.73 1k3g h ALA 24 Ca 0.07 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1k3g h ALA 24 Cb 1.04 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1k3g h ALA 24 CO 1.07 -0.47 0.10 0.93 0.00 0.00 0.00 179.25 180.89 1k3g h GLU 25 N 0.01 0.22 -0.30 0.00 5.08 -1.93 -0.24 114.58 117.42 1k3g h GLU 25 Ca 0.11 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1k3g h GLU 25 Cb 0.16 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1k3g h GLU 25 CO -0.23 0.15 0.20 0.00 -1.00 0.00 0.00 179.01 178.13 1k3g h ALA 26 N 1.12 0.38 0.23 3.43 0.00 -1.79 0.11 119.26 122.73 1k3g h ALA 26 Ca 0.09 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1k3g h ALA 26 Cb 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1k3g h ALA 26 CO -0.07 -0.16 -0.31 0.28 0.00 0.00 0.00 179.25 179.00 1k3g h VAL 27 N 0.40 0.35 -0.45 0.00 2.07 -0.64 -2.62 116.25 115.36 1k3g h VAL 27 Ca 0.11 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.70 1k3g h VAL 27 Cb -0.04 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.02 1k3g h VAL 27 CO -0.03 0.00 0.10 0.58 0.02 0.00 0.00 177.57 178.25 1k3g h VAL 28 N -0.60 0.78 0.00 2.57 2.07 -0.69 0.17 116.25 120.56 1k3g h VAL 28 Ca 0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1k3g h VAL 28 Cb 0.58 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1k3g h VAL 28 CO -0.11 0.04 0.37 1.56 0.02 0.00 0.00 177.57 179.46 1k3g h GLN 29 N 0.25 0.00 -0.64 1.57 1.08 -0.57 0.75 115.11 117.54 1k3g h GLN 29 Ca 0.22 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 57.09 1k3g h GLN 29 Cb 0.27 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 27.29 1k3g h GLN 29 CO -0.28 0.00 -1.06 1.04 -0.95 0.00 0.00 178.83 177.58 1k3g n GLN 30 N -2.77 2.02 0.00 1.46 1.13 0.49 -4.76 117.38 114.95 1k3g n GLN 30 Ca -0.02 -3.62 0.00 0.00 -1.94 0.00 0.00 57.00 51.42 1k3g n GLN 30 Cb 0.42 -1.69 0.00 0.00 0.11 0.00 0.00 30.24 29.08 1k3g n GLN 30 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1k3g n LYS 31 N -0.51 0.00 -0.13 -1.09 5.02 -0.46 -4.98 118.16 116.00 1k3g n LYS 31 Ca 0.15 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.17 1k3g n LYS 31 Cb 0.82 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.74 1k3g n LYS 31 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k3g h ILE 33 N -0.96 0.58 -1.26 0.00 3.07 -1.70 -0.09 117.51 117.15 1k3g h ILE 33 Ca -0.64 0.00 0.46 0.00 1.55 0.00 0.00 64.86 66.23 1k3g h ILE 33 Cb 1.56 0.80 -0.15 0.00 -0.27 0.00 0.00 36.82 38.76 1k3g h ILE 33 CO -0.39 0.00 0.78 0.28 -1.05 0.00 0.00 178.15 177.77 1k3g h SER 34 N 0.00 0.24 0.00 2.16 0.02 -1.81 0.36 113.55 114.51 1k3g h SER 34 Ca 0.13 0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 61.21 1k3g h SER 34 Cb 0.65 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 1k3g h SER 34 CO -0.00 -0.32 -1.25 0.00 -1.14 0.00 0.00 176.83 174.12 1k3g n HIS 36 N -2.46 0.01 0.00 0.00 8.25 -0.17 -0.54 115.22 120.31 1k3g n HIS 36 Ca -0.07 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1k3g n HIS 36 Cb 0.59 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.70 1k3g n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k3g n GLY 37 N 0.85 2.19 0.19 -1.41 0.00 0.12 -1.07 105.19 106.07 1k3g n GLY 37 Ca 0.16 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1k3g n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k3g n GLY 38 N 0.00 -0.55 0.96 -0.02 0.00 -1.26 -4.64 105.19 99.68 1k3g n GLY 38 Ca 0.00 0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1k3g n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k3g n ASP 39 N -2.39 2.90 -0.06 1.61 8.00 -1.26 -4.91 116.55 120.44 1k3g n ASP 39 Ca 0.00 -1.91 -0.01 0.00 0.71 0.00 0.00 54.79 53.58 1k3g n ASP 39 Cb 0.00 -0.17 -0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1k3g n ASP 39 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1k3g n LEU 40 N 1.15 0.02 0.04 0.64 4.77 -1.21 -4.66 117.00 117.75 1k3g n LEU 40 Ca 0.18 0.02 0.13 0.00 -0.03 0.00 0.00 56.01 56.31 1k3g n LEU 40 Cb 0.53 -0.74 0.51 0.00 -2.33 0.00 0.00 43.42 41.40 1k3g n LEU 40 CO 0.15 -0.12 0.91 0.35 -1.33 0.00 0.00 177.39 177.35 1k3g n THR 41 N -2.90 0.34 0.00 -5.08 -2.24 -1.18 -0.44 114.28 102.78 1k3g n THR 41 Ca -0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1k3g n THR 41 Cb 0.06 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 1k3g n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k3g n GLY 42 N 1.22 0.86 0.14 3.38 0.00 -0.23 -4.23 105.19 106.33 1k3g n GLY 42 Ca 0.06 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1k3g n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k3g n ALA 43 N 0.93 0.00 1.12 4.61 0.00 -1.19 -4.42 120.51 121.56 1k3g n ALA 43 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1k3g n ALA 43 Cb 0.00 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.80 1k3g n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1k3g n SER 44 N -1.04 2.13 -3.67 0.00 7.64 0.30 -4.94 113.62 114.04 1k3g n SER 44 Ca 0.00 -1.74 -0.10 0.00 1.01 0.00 0.00 58.87 58.04 1k3g n SER 44 Cb 0.00 -0.08 -0.05 0.00 -1.01 0.00 0.00 64.21 63.07 1k3g n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k3g s ALA 45 N -1.84 -0.86 0.93 -0.43 0.00 -1.07 -4.96 121.76 113.54 1k3g s ALA 45 Ca 0.34 -0.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.06 1k3g s ALA 45 Cb 0.20 0.70 0.15 0.00 0.00 0.00 0.00 23.12 24.17 1k3g s ALA 45 CO 0.30 -0.65 1.09 -1.25 0.00 0.00 0.00 175.76 175.25 1k3g s PRO 46 N -3.82 0.99 -0.07 0.00 0.04 -1.26 -4.34 135.00 126.53 1k3g s PRO 46 Ca 0.04 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 61.74 1k3g s PRO 46 Cb 0.02 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.76 1k3g s PRO 46 CO -0.11 -2.46 1.26 0.00 0.04 0.00 0.00 177.00 175.73 1k3g s ALA 47 N -2.82 3.55 -1.45 8.56 0.00 -1.26 -4.28 121.76 124.06 1k3g s ALA 47 Ca 0.64 0.63 0.12 0.00 0.00 0.00 0.00 51.96 53.36 1k3g s ALA 47 Cb -0.20 -3.56 0.13 0.00 0.00 0.00 0.00 23.12 19.49 1k3g s ALA 47 CO 0.58 -0.90 0.94 0.44 0.00 0.00 0.00 175.76 176.82 1k3g n ILE 48 N 4.82 0.14 -0.26 0.00 -5.35 0.41 -4.64 119.36 114.48 1k3g n ILE 48 Ca 0.12 -0.57 0.07 0.00 -0.27 0.00 0.00 62.75 62.11 1k3g n ILE 48 Cb 0.45 1.15 0.15 0.00 -1.74 0.00 0.00 39.64 39.66 1k3g n ILE 48 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1k3g n ASP 49 N 0.67 -0.18 -2.01 7.28 5.75 0.14 -0.57 116.55 127.63 1k3g n ASP 49 Ca 0.08 1.24 -0.25 0.00 -0.01 0.00 0.00 54.79 55.85 1k3g n ASP 49 Cb 0.32 -0.41 0.06 0.00 -1.03 0.00 0.00 41.12 40.06 1k3g n ASP 49 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1k3g n LYS 50 N -5.10 3.17 -0.07 0.11 4.81 -1.26 -3.34 118.16 116.48 1k3g n LYS 50 Ca 0.14 -3.82 -0.10 0.00 -0.87 0.00 0.00 58.31 53.66 1k3g n LYS 50 Cb 0.45 -2.23 -0.03 0.00 0.02 0.00 0.00 35.03 33.24 1k3g n LYS 50 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1k3g h ALA 51 N 2.01 0.31 -0.86 3.14 0.00 -1.02 -3.27 119.26 119.56 1k3g h ALA 51 Ca 0.42 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.44 1k3g h ALA 51 Cb 1.34 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.93 1k3g h ALA 51 CO 0.96 -0.17 0.43 0.78 0.00 0.00 0.00 179.25 181.25 1k3g h GLY 52 N 0.29 1.43 2.00 0.00 0.00 -1.39 0.25 103.07 105.65 1k3g h GLY 52 Ca 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1k3g h GLY 52 CO -0.01 -0.09 -0.08 0.00 0.00 0.00 0.00 176.54 176.36 1k3g h ALA 53 N 1.59 0.97 0.08 3.60 0.00 -1.71 -3.24 119.26 120.55 1k3g h ALA 53 Ca 0.49 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.17 1k3g h ALA 53 Cb 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1k3g h ALA 53 CO -0.40 0.10 -0.75 -0.91 0.00 0.00 0.00 179.25 177.29 1k3g h ASN 54 N 0.00 0.25 -3.75 0.00 2.35 -0.68 -3.48 115.58 110.28 1k3g h ASN 54 Ca -0.00 -0.89 -0.29 0.00 -0.55 0.00 0.00 56.30 54.57 1k3g h ASN 54 Cb 0.83 -0.08 -0.29 0.00 0.05 0.00 0.00 38.32 38.83 1k3g h ASN 54 CO 0.01 1.34 -0.74 -0.31 -1.65 0.00 0.00 177.43 176.08 1k3g s TYR 55 N -2.37 0.24 0.84 1.19 2.02 0.27 -5.13 117.35 114.41 1k3g s TYR 55 Ca -0.18 -0.03 -0.12 0.00 -0.37 0.00 0.00 57.07 56.37 1k3g s TYR 55 Cb 0.01 -0.20 0.09 0.00 -0.40 0.00 0.00 41.96 41.47 1k3g s TYR 55 CO 0.74 -0.03 1.12 0.45 -1.57 0.00 0.00 175.55 176.26 1k3g s SER 56 N 0.18 4.16 0.27 2.29 0.15 -1.26 -3.96 113.70 115.54 1k3g s SER 56 Ca -0.01 1.12 0.01 0.00 0.70 0.00 0.00 55.95 57.76 1k3g s SER 56 Cb -0.04 -1.78 0.62 0.00 -1.71 0.00 0.00 66.02 63.11 1k3g s SER 56 CO -0.00 -2.16 1.71 1.05 1.20 0.00 0.00 173.24 175.04 1k3g h GLU 57 N -1.22 0.43 -0.92 5.44 9.09 -1.90 0.24 114.58 125.74 1k3g h GLU 57 Ca -0.48 -0.03 0.15 0.00 0.05 0.00 0.00 59.36 59.06 1k3g h GLU 57 Cb 1.30 -0.10 -0.08 0.00 -1.65 0.00 0.00 28.75 28.22 1k3g h GLU 57 CO 0.61 0.28 0.59 0.93 0.05 0.00 0.00 179.01 181.47 1k3g h GLU 58 N 0.44 0.68 0.02 1.06 5.08 -1.93 0.26 114.58 120.20 1k3g h GLU 58 Ca 0.50 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.72 1k3g h GLU 58 Cb 0.87 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1k3g h GLU 58 CO -0.47 0.45 -0.51 0.93 -1.00 0.00 0.00 179.01 178.41 1k3g h GLU 59 N 0.70 0.04 -0.54 2.33 5.08 -1.01 -2.96 114.58 118.22 1k3g h GLU 59 Ca 0.47 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.78 1k3g h GLU 59 Cb 0.77 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 1k3g h GLU 59 CO -0.23 1.04 0.33 0.82 -1.00 0.00 0.00 179.01 179.96 1k3g h ILE 60 N -0.90 1.06 -0.46 3.13 2.04 -0.55 0.75 117.51 122.58 1k3g h ILE 60 Ca -0.13 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 65.58 1k3g h ILE 60 Cb 1.19 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 1k3g h ILE 60 CO -0.04 0.12 0.10 0.25 0.00 0.00 0.00 178.15 178.58 1k3g h LEU 61 N 0.65 0.03 -0.15 1.44 5.85 -0.62 0.25 115.31 122.76 1k3g h LEU 61 Ca 0.22 0.08 0.04 0.00 0.84 0.00 0.00 57.88 59.05 1k3g h LEU 61 Cb 0.02 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1k3g h LEU 61 CO -0.10 0.05 -0.08 -0.78 -0.34 0.00 0.00 178.44 177.19 1k3g h ASP 62 N 0.24 -0.26 -0.01 1.25 1.82 -1.09 0.13 116.42 118.51 1k3g h ASP 62 Ca 0.22 0.06 -0.00 0.00 -0.39 0.00 0.00 57.03 56.93 1k3g h ASP 62 Cb 0.28 0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.43 1k3g h ASP 62 CO -0.28 -0.11 0.00 0.40 -1.61 0.00 0.00 179.24 177.64 1k3g h ILE 63 N -0.07 1.01 0.03 2.25 2.04 0.31 0.37 117.51 123.45 1k3g h ILE 63 Ca 0.08 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 1k3g h ILE 63 Cb 0.20 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1k3g h ILE 63 CO -0.19 0.01 -0.02 0.40 0.00 0.00 0.00 178.15 178.36 1k3g h ILE 64 N 0.02 1.35 -0.01 -0.67 2.04 0.34 -2.42 117.51 118.16 1k3g h ILE 64 Ca 0.01 -1.31 -0.12 0.00 1.00 0.00 0.00 64.86 64.44 1k3g h ILE 64 Cb 0.02 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 1k3g h ILE 64 CO 0.00 0.33 -0.53 -0.07 0.00 0.00 0.00 178.15 177.87 1k3g h LEU 65 N -0.63 0.04 -3.00 1.44 3.38 0.05 -0.61 115.31 115.98 1k3g h LEU 65 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1k3g h LEU 65 Cb 0.57 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1k3g h LEU 65 CO 0.01 0.57 0.00 0.59 0.09 0.00 0.00 178.44 179.69 1k3g n ASN 66 N -3.91 2.18 0.00 -0.43 3.02 0.12 -1.99 115.26 114.25 1k3g n ASN 66 Ca -0.01 -2.28 0.00 0.00 -0.03 0.00 0.00 54.58 52.25 1k3g n ASN 66 Cb 0.55 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1k3g n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k3g n GLY 67 N -0.67 0.93 0.00 7.41 0.00 -0.91 -4.41 105.19 107.54 1k3g n GLY 67 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1k3g n GLY 67 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1k3g n GLN 68 N 3.97 0.00 0.00 1.61 7.27 -0.20 -4.56 117.38 125.47 1k3g n GLN 68 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1k3g n GLN 68 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1k3g n GLN 68 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1k3g n GLY 69 N -0.03 2.03 0.26 1.69 0.00 -1.26 0.17 105.19 108.05 1k3g n GLY 69 Ca 0.00 0.44 0.15 0.00 0.00 0.00 0.00 46.02 46.61 1k3g n GLY 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1k3g h GLY 70 N 0.00 0.00 -5.32 -0.02 0.00 -2.00 -3.43 103.07 92.29 1k3g h GLY 70 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1k3g h GLY 70 CO 0.00 0.00 0.96 -0.29 0.00 0.00 0.00 176.54 177.21 1k3g s MET 71 N -3.72 4.16 -0.03 4.80 0.00 0.13 -5.00 119.30 119.64 1k3g s MET 71 Ca 0.00 1.70 -0.30 0.00 0.00 0.00 0.00 55.69 57.09 1k3g s MET 71 Cb 0.10 -3.83 -0.03 0.00 0.00 0.00 0.00 34.83 31.07 1k3g s MET 71 CO 0.57 -0.82 1.04 -1.25 0.00 0.00 0.00 175.02 174.56 1k3g s PRO 72 N 3.74 4.48 0.27 4.11 0.04 -1.26 -1.03 135.00 145.35 1k3g s PRO 72 Ca 0.59 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 1k3g s PRO 72 Cb -0.23 -3.48 -0.11 0.00 0.04 0.00 0.00 34.50 30.72 1k3g s PRO 72 CO 0.19 -0.20 1.59 0.20 0.04 0.00 0.00 177.00 178.82 1k3g s GLY 73 N 1.09 1.99 0.00 0.56 0.00 -1.26 -3.72 107.32 105.98 1k3g s GLY 73 Ca 0.52 1.53 0.00 0.00 0.00 0.00 0.00 44.72 46.77 1k3g s GLY 73 CO 0.24 2.56 0.00 0.61 0.00 0.00 0.00 173.10 176.52 1k3g n GLY 74 N 2.49 0.93 0.23 0.20 0.00 -0.24 -4.72 105.19 104.08 1k3g n GLY 74 Ca 0.09 -0.56 -0.07 0.00 0.00 0.00 0.00 46.02 45.48 1k3g n GLY 74 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k3g h ILE 75 N 0.00 1.17 -2.09 -0.61 1.08 -1.64 -3.42 117.51 112.00 1k3g h ILE 75 Ca 0.00 -0.40 -0.55 0.00 -0.39 0.00 0.00 64.86 63.52 1k3g h ILE 75 Cb 0.79 0.47 -0.08 0.00 -3.07 0.00 0.00 36.82 34.93 1k3g h ILE 75 CO 0.00 0.18 -0.59 0.00 -0.69 0.00 0.00 178.15 177.05 1k3g s ALA 76 N -5.93 3.34 0.11 1.87 0.00 -1.26 -5.04 121.76 114.85 1k3g s ALA 76 Ca -0.13 -1.68 0.04 0.00 0.00 0.00 0.00 51.96 50.19 1k3g s ALA 76 Cb 0.12 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1k3g s ALA 76 CO 0.76 0.18 -0.09 0.15 0.00 0.00 0.00 175.76 176.76 1k3g s LYS 77 N -3.76 0.91 3.74 0.00 1.02 -1.26 -4.59 119.74 115.79 1k3g s LYS 77 Ca 0.34 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 55.05 1k3g s LYS 77 Cb -0.05 -0.50 0.00 0.00 -0.52 0.00 0.00 37.83 36.76 1k3g s LYS 77 CO 0.22 0.06 0.00 0.41 -0.92 0.00 0.00 175.35 175.12 1k3g n GLY 78 N 0.21 2.16 0.40 -3.33 0.00 -1.26 -1.66 105.19 101.71 1k3g n GLY 78 Ca -0.14 -0.38 0.18 0.00 0.00 0.00 0.00 46.02 45.69 1k3g n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k3g h ALA 79 N -0.66 2.19 -0.85 4.61 0.00 -1.99 0.26 119.26 122.82 1k3g h ALA 79 Ca 0.00 0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.08 1k3g h ALA 79 Cb 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1k3g h ALA 79 CO 0.00 -0.46 0.56 1.49 0.00 0.00 0.00 179.25 180.84 1k3g h GLU 80 N 0.41 0.54 0.00 0.00 4.81 -1.71 0.27 114.58 118.91 1k3g h GLU 80 Ca 0.45 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.61 1k3g h GLU 80 Cb 1.11 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1k3g h GLU 80 CO -0.17 0.36 -0.23 0.00 -0.73 0.00 0.00 179.01 178.24 1k3g h ALA 81 N 1.62 0.04 0.27 2.92 0.00 -0.47 -3.35 119.26 120.29 1k3g h ALA 81 Ca 0.43 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1k3g h ALA 81 Cb 0.83 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1k3g h ALA 81 CO -0.18 0.14 -0.25 0.93 0.00 0.00 0.00 179.25 179.90 1k3g h GLU 82 N -1.00 -0.52 -0.78 0.00 5.08 -0.22 0.39 114.58 117.53 1k3g h GLU 82 Ca -0.06 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.42 1k3g h GLU 82 Cb 0.81 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 30.12 1k3g h GLU 82 CO -0.03 -0.35 0.45 0.00 -1.00 0.00 0.00 179.01 178.08 1k3g h ALA 83 N 0.11 1.09 0.35 3.43 0.00 -0.74 0.57 119.26 124.07 1k3g h ALA 83 Ca -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1k3g h ALA 83 Cb 0.49 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1k3g h ALA 83 CO -0.04 0.11 -0.17 0.28 0.00 0.00 0.00 179.25 179.44 1k3g h VAL 84 N 0.79 0.66 -0.39 0.00 2.07 -1.58 0.11 116.25 117.91 1k3g h VAL 84 Ca 0.36 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.86 1k3g h VAL 84 Cb 0.28 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 30.69 1k3g h VAL 84 CO -0.22 0.02 -0.12 0.00 0.02 0.00 0.00 177.57 177.27 1k3g h ALA 85 N 0.10 0.22 -0.20 1.67 0.00 -0.47 0.18 119.26 120.76 1k3g h ALA 85 Ca -0.05 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1k3g h ALA 85 Cb 0.40 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1k3g h ALA 85 CO 0.08 -0.48 0.10 0.00 0.00 0.00 0.00 179.25 178.94 1k3g h ALA 86 N 1.32 0.23 -0.37 0.00 0.00 -0.76 0.21 119.26 119.90 1k3g h ALA 86 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1k3g h ALA 86 Cb 0.33 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1k3g h ALA 86 CO -0.42 -0.32 0.13 2.35 0.00 0.00 0.00 179.25 180.99 1k3g h TRP 87 N 0.21 0.23 -0.47 0.00 7.01 -0.34 -2.08 115.95 120.50 1k3g h TRP 87 Ca 0.08 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.04 1k3g h TRP 87 Cb 0.02 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 1k3g h TRP 87 CO -0.09 0.09 0.06 -0.07 -2.79 0.00 0.00 178.44 175.64 1k3g h LEU 88 N 0.28 0.69 -0.93 0.65 -0.00 -0.19 -0.80 115.31 115.01 1k3g h LEU 88 Ca 0.17 -0.14 0.12 0.00 -0.00 0.00 0.00 57.88 58.03 1k3g h LEU 88 Cb 0.15 -0.18 -0.08 0.00 -0.00 0.00 0.00 40.66 40.54 1k3g h LEU 88 CO -0.18 0.73 0.56 0.00 -0.00 0.00 0.00 178.44 179.55 1k3g h ALA 89 N 1.36 1.39 -0.37 1.53 0.00 -0.03 0.12 119.26 123.25 1k3g h ALA 89 Ca 0.15 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 1k3g h ALA 89 Cb 0.35 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.88 1k3g h ALA 89 CO 0.01 0.16 0.20 0.39 0.00 0.00 0.00 179.25 180.01 1k3g n GLU 90 N -4.68 1.82 -5.22 0.00 -0.58 -0.36 -4.51 120.64 107.12 1k3g n GLU 90 Ca 0.17 -1.28 -0.32 0.00 -0.42 0.00 0.00 57.16 55.31 1k3g n GLU 90 Cb 0.34 -1.58 -0.17 0.00 -0.57 0.00 0.00 31.44 29.46 1k3g n GLU 90 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1k3g s LYS 91 N -1.48 2.97 0.00 3.49 1.02 0.39 -5.01 119.74 121.12 1k3g s LYS 91 Ca 0.24 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.35 1k3g s LYS 91 Cb 0.20 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1k3g s LYS 91 CO 0.05 0.22 0.00 1.63 -0.92 0.00 0.00 175.35 176.33