#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g74 n ALA 0 N 0.00 1.63 -1.34 -2.53 0.00 -1.26 -4.84 120.51 112.17 3g74 n ALA 0 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3g74 n ALA 0 Cb 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3g74 n ALA 0 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3g74 n SER 2 N 1.94 -4.72 -4.77 0.00 7.64 -1.26 -5.08 113.62 107.37 3g74 n SER 2 Ca 0.00 1.03 -0.39 0.00 1.01 0.00 0.00 58.87 60.52 3g74 n SER 2 Cb 0.03 -3.53 -0.02 0.00 -1.01 0.00 0.00 64.21 59.67 3g74 n SER 2 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3g74 s ASP 3 N -4.72 6.68 -0.14 6.43 1.01 -1.25 -4.91 116.67 119.76 3g74 s ASP 3 Ca 0.00 2.42 -0.06 0.00 0.71 0.00 0.00 52.55 55.62 3g74 s ASP 3 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 3g74 s ASP 3 CO 0.00 -0.57 0.06 -0.89 0.21 0.00 0.00 175.17 173.98 3g74 s THR 4 N -1.31 4.83 -0.25 -1.27 2.01 -1.26 -1.71 115.64 116.68 3g74 s THR 4 Ca 0.53 -0.03 -0.04 0.00 0.31 0.00 0.00 61.69 62.46 3g74 s THR 4 Cb -0.33 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.06 3g74 s THR 4 CO 0.42 0.54 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.67 3g74 s LEU 5 N -0.34 3.27 -0.08 4.42 2.96 0.20 -4.50 118.68 124.61 3g74 s LEU 5 Ca 0.09 -0.58 -0.19 0.00 -0.22 0.00 0.00 54.13 53.23 3g74 s LEU 5 Cb -0.12 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 3g74 s LEU 5 CO 0.02 -0.10 0.51 -0.31 -1.32 0.00 0.00 176.35 175.15 3g74 s TYR 6 N 1.46 3.58 -0.14 5.38 2.02 0.59 -0.27 117.35 129.96 3g74 s TYR 6 Ca 0.04 0.99 0.02 0.00 -0.37 0.00 0.00 57.07 57.75 3g74 s TYR 6 Cb -0.16 -2.55 0.01 0.00 -0.40 0.00 0.00 41.96 38.86 3g74 s TYR 6 CO -0.02 0.25 -0.19 0.42 -1.57 0.00 0.00 175.55 174.45 3g74 s ILE 7 N 0.28 1.88 0.32 2.71 1.01 0.06 -0.86 121.20 126.60 3g74 s ILE 7 Ca 0.28 -0.85 0.10 0.00 0.00 0.00 0.00 60.65 60.17 3g74 s ILE 7 Cb -0.16 -1.69 -0.06 0.00 0.01 0.00 0.00 42.46 40.56 3g74 s ILE 7 CO 0.13 0.51 -0.07 -0.75 0.00 0.00 0.00 174.94 174.76 3g74 s LYS 8 N 1.04 1.93 0.17 2.79 2.20 -0.25 0.11 119.74 127.73 3g74 s LYS 8 Ca -0.03 -1.78 0.10 0.00 -0.36 0.00 0.00 55.97 53.91 3g74 s LYS 8 Cb -0.14 -1.85 -0.04 0.00 -1.51 0.00 0.00 37.83 34.28 3g74 s LYS 8 CO -0.05 0.20 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.44 3g74 s ASP 10 N -3.63 3.74 0.11 1.43 1.01 0.49 -1.34 116.67 118.47 3g74 s ASP 10 Ca 0.33 -0.71 -0.10 0.00 0.71 0.00 0.00 52.55 52.78 3g74 s ASP 10 Cb -0.01 -0.44 -0.15 0.00 1.01 0.00 0.00 42.92 43.33 3g74 s ASP 10 CO 0.18 0.13 1.27 -0.61 0.21 0.00 0.00 175.17 176.35 3g74 h GLN 11 N 3.30 0.63 -2.15 8.23 4.15 -1.88 -3.35 115.11 124.04 3g74 h GLN 11 Ca -0.48 -0.61 -0.05 0.00 0.77 0.00 0.00 58.65 58.27 3g74 h GLN 11 Cb 1.19 0.16 -0.18 0.00 0.21 0.00 0.00 27.48 28.86 3g74 h GLN 11 CO 0.48 1.22 0.19 0.00 -1.93 0.00 0.00 178.83 178.79 3g74 s ALA 12 N -3.45 -1.74 -0.13 3.38 0.00 -1.26 -1.46 121.76 117.10 3g74 s ALA 12 Ca -0.09 1.19 -0.15 0.00 0.00 0.00 0.00 51.96 52.91 3g74 s ALA 12 Cb 0.08 0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.37 3g74 s ALA 12 CO 0.90 -0.43 0.41 0.08 0.00 0.00 0.00 175.76 176.72 3g74 s VAL 13 N -1.56 0.01 -0.11 0.00 1.01 -0.61 -4.92 120.40 114.21 3g74 s VAL 13 Ca -0.09 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.84 3g74 s VAL 13 Cb -0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 3g74 s VAL 13 CO 0.07 -0.03 -0.16 -0.70 0.00 0.00 0.00 175.10 174.27 3g74 s GLU 14 N -0.02 3.12 -0.06 2.72 2.12 -1.26 -1.45 118.70 123.86 3g74 s GLU 14 Ca -0.02 -0.74 0.02 0.00 0.36 0.00 0.00 54.97 54.59 3g74 s GLU 14 Cb -0.03 -2.49 0.01 0.00 0.26 0.00 0.00 34.13 31.88 3g74 s GLU 14 CO 0.01 0.29 -0.12 0.42 -0.54 0.00 0.00 175.26 175.33 3g74 s ILE 15 N 0.13 1.08 -0.09 -3.70 -1.09 0.11 -4.96 121.20 112.69 3g74 s ILE 15 Ca -0.08 -0.45 -0.18 0.00 -2.23 0.00 0.00 60.65 57.71 3g74 s ILE 15 Cb -0.15 -0.99 -0.28 0.00 -1.58 0.00 0.00 42.46 39.45 3g74 s ILE 15 CO 0.05 0.34 0.66 0.71 -1.23 0.00 0.00 174.94 175.47 3g74 h THR 16 N 5.95 1.18 -3.02 2.92 1.35 -1.86 0.59 112.91 120.01 3g74 h THR 16 Ca -0.32 -2.44 -0.39 0.00 -0.55 0.00 0.00 66.41 62.71 3g74 h THR 16 Cb 1.18 2.86 0.22 0.00 -1.73 0.00 0.00 68.15 70.68 3g74 h THR 16 CO 0.48 0.70 -0.12 -0.54 -0.25 0.00 0.00 175.52 175.79 3g74 s LYS 17 N -2.46 -2.70 0.00 4.72 1.02 -1.26 -4.77 119.74 114.28 3g74 s LYS 17 Ca -0.18 0.33 0.12 0.00 0.02 0.00 0.00 55.97 56.26 3g74 s LYS 17 Cb 0.03 -1.39 0.01 0.00 -0.52 0.00 0.00 37.83 35.96 3g74 s LYS 17 CO 0.78 -4.77 0.73 1.63 -0.92 0.00 0.00 175.35 172.81 3g74 n LYS 18 N -5.59 1.83 -4.33 1.68 5.02 -1.26 -4.87 118.16 110.64 3g74 n LYS 18 Ca 0.10 -0.73 -0.22 0.00 -2.02 0.00 0.00 58.31 55.44 3g74 n LYS 18 Cb 0.59 -1.16 -0.13 0.00 -0.02 0.00 0.00 35.03 34.30 3g74 n LYS 18 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3g74 s GLN 19 N -1.52 1.06 -0.05 1.97 0.74 -1.26 0.63 119.66 121.22 3g74 s GLN 19 Ca 0.11 -0.99 0.01 0.00 0.05 0.00 0.00 55.36 54.53 3g74 s GLN 19 Cb 0.10 -1.18 0.02 0.00 1.10 0.00 0.00 33.01 33.05 3g74 s GLN 19 CO 0.30 0.28 -0.06 0.08 -0.55 0.00 0.00 175.29 175.34 3g74 s VAL 20 N -1.07 0.68 0.59 1.34 1.01 0.21 -4.99 120.40 118.17 3g74 s VAL 20 Ca 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 3g74 s VAL 20 Cb -0.09 -0.68 0.04 0.00 0.00 0.00 0.00 36.38 35.65 3g74 s VAL 20 CO 0.03 0.26 0.83 0.42 0.00 0.00 0.00 175.10 176.64 3g74 s THR 21 N 0.94 2.56 0.11 3.92 -4.23 -1.26 0.60 115.64 118.29 3g74 s THR 21 Ca -0.10 -0.60 -0.22 0.00 -1.18 0.00 0.00 61.69 59.59 3g74 s THR 21 Cb -0.14 -2.97 -0.10 0.00 1.34 0.00 0.00 72.50 70.63 3g74 s THR 21 CO 0.00 0.00 1.73 0.58 -0.54 0.00 0.00 174.62 176.39 3g74 h VAL 22 N -0.08 0.93 0.00 2.29 2.07 -1.80 -2.60 116.25 117.06 3g74 h VAL 22 Ca -0.42 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3g74 h VAL 22 Cb 1.30 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3g74 h VAL 22 CO 0.53 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.73 3g74 n GLY 23 N -1.13 -0.80 0.13 2.17 0.00 -0.70 -0.58 105.19 104.27 3g74 n GLY 23 Ca -0.05 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.08 3g74 n GLY 23 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3g74 h ASP 24 N 0.00 0.00 0.00 1.61 3.32 -1.73 -3.35 116.42 116.27 3g74 h ASP 24 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3g74 h ASP 24 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3g74 h ASP 24 CO 0.00 0.00 -0.26 0.55 -1.72 0.00 0.00 179.24 177.82 3g74 n VAL 25 N -2.42 0.00 -3.64 -1.35 3.14 0.25 -4.98 118.33 109.33 3g74 n VAL 25 Ca 0.05 -0.39 -0.14 0.00 -2.96 0.00 0.00 64.34 60.90 3g74 n VAL 25 Cb 0.45 0.92 -0.08 0.00 -1.06 0.00 0.00 33.84 34.08 3g74 n VAL 25 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3g74 s ALA 26 N -1.37 -1.55 0.34 1.55 0.00 -0.65 -0.38 121.76 119.71 3g74 s ALA 26 Ca 0.01 1.62 -0.26 0.00 0.00 0.00 0.00 51.96 53.33 3g74 s ALA 26 Cb 0.02 -0.80 -0.10 0.00 0.00 0.00 0.00 23.12 22.24 3g74 s ALA 26 CO 0.10 -0.31 0.97 0.15 0.00 0.00 0.00 175.76 176.67 3g74 s LYS 27 N -0.00 4.50 0.11 0.00 -0.14 -0.45 -4.37 119.74 119.39 3g74 s LYS 27 Ca -0.02 1.36 0.08 0.00 -1.36 0.00 0.00 55.97 56.03 3g74 s LYS 27 Cb -0.04 -2.73 -0.04 0.00 -1.68 0.00 0.00 37.83 33.34 3g74 s LYS 27 CO 0.03 0.19 -0.21 -0.51 -0.76 0.00 0.00 175.35 174.09 3g74 s LEU 28 N -2.20 2.32 -0.05 3.17 1.43 -1.26 -1.09 118.68 121.01 3g74 s LEU 28 Ca 0.52 -0.72 -0.02 0.00 -1.03 0.00 0.00 54.13 52.88 3g74 s LEU 28 Cb -0.19 -0.89 0.03 0.00 0.03 0.00 0.00 46.19 45.17 3g74 s LEU 28 CO 0.24 0.05 0.10 -1.58 0.23 0.00 0.00 176.35 175.39 3g74 s GLN 29 N -2.06 0.06 -0.20 1.70 -0.44 -0.04 -4.98 119.66 113.70 3g74 s GLN 29 Ca 0.08 0.27 -0.10 0.00 -2.50 0.00 0.00 55.36 53.12 3g74 s GLN 29 Cb -0.09 -0.15 0.08 0.00 -1.64 0.00 0.00 33.01 31.21 3g74 s GLN 29 CO 0.05 -0.13 0.47 0.00 0.50 0.00 0.00 175.29 176.18 3g74 h LYS 31 N 7.51 0.19 -4.74 0.00 3.64 -2.01 -3.31 116.57 117.85 3g74 h LYS 31 Ca -0.28 -0.01 -0.70 0.00 -1.27 0.00 0.00 60.65 58.39 3g74 h LYS 31 Cb 1.16 -0.04 -0.20 0.00 -0.41 0.00 0.00 32.23 32.74 3g74 h LYS 31 CO 0.20 0.12 0.01 1.21 -2.27 0.00 0.00 179.45 178.73 3g74 s ASN 32 N -5.38 6.20 0.46 4.20 2.47 -1.26 -4.93 114.94 116.70 3g74 s ASN 32 Ca -0.07 -1.20 0.31 0.00 0.42 0.00 0.00 52.86 52.33 3g74 s ASN 32 Cb 0.23 -2.28 1.44 0.00 -1.45 0.00 0.00 41.25 39.19 3g74 s ASN 32 CO 0.79 -0.94 1.94 0.11 -3.72 0.00 0.00 177.10 175.28 3g74 h LYS 33 N 9.03 0.00 -0.68 0.43 6.56 -2.02 -2.32 116.57 127.57 3g74 h LYS 33 Ca -0.28 0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.33 3g74 h LYS 33 Cb 1.09 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.72 3g74 h LYS 33 CO 1.01 0.00 0.45 -0.91 -2.06 0.00 0.00 179.45 177.94 3g74 h ASN 34 N 0.00 0.72 0.03 0.86 2.35 -1.91 0.18 115.58 117.80 3g74 h ASN 34 Ca 0.00 -0.01 -0.25 0.00 -0.55 0.00 0.00 56.30 55.49 3g74 h ASN 34 Cb 0.31 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.53 3g74 h ASN 34 CO 0.00 0.50 -0.95 0.40 -1.65 0.00 0.00 177.43 175.73 3g74 h ILE 35 N 0.84 1.30 0.10 2.81 2.04 -1.80 -2.33 117.51 120.46 3g74 h ILE 35 Ca 0.27 -2.20 -0.28 0.00 1.00 0.00 0.00 64.86 63.65 3g74 h ILE 35 Cb 0.03 2.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 3g74 h ILE 35 CO -0.07 0.68 -1.36 0.71 0.00 0.00 0.00 178.15 178.11 3g74 h THR 36 N 0.40 1.34 -0.81 -0.27 1.35 -1.67 -1.52 112.91 111.74 3g74 h THR 36 Ca -0.10 -2.98 0.11 0.00 -0.55 0.00 0.00 66.41 62.89 3g74 h THR 36 Cb 1.59 2.82 -0.08 0.00 -1.73 0.00 0.00 68.15 70.75 3g74 h THR 36 CO 0.18 0.85 0.44 0.78 -0.25 0.00 0.00 175.52 177.52 3g74 h ASN 37 N 0.05 0.59 0.12 5.36 2.35 -0.90 -0.52 115.58 122.63 3g74 h ASN 37 Ca -0.17 0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.48 3g74 h ASN 37 Cb 1.96 -0.05 0.02 0.00 0.05 0.00 0.00 38.32 40.31 3g74 h ASN 37 CO 0.17 0.32 -0.70 -0.09 -1.65 0.00 0.00 177.43 175.47 3g74 h ARG 38 N 0.71 0.27 0.04 0.81 9.65 -1.41 -3.37 114.38 121.08 3g74 h ARG 38 Ca 0.40 -0.45 -0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3g74 h ARG 38 Cb 0.44 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.18 3g74 h ARG 38 CO -0.28 1.20 -0.02 1.25 2.80 0.00 0.00 179.97 184.93 3g74 h LEU 39 N -0.43 -0.04 -0.96 3.80 5.85 -0.97 -2.81 115.31 119.76 3g74 h LEU 39 Ca -0.12 -0.26 0.36 0.00 0.84 0.00 0.00 57.88 58.69 3g74 h LEU 39 Cb 1.54 0.01 -0.13 0.00 0.37 0.00 0.00 40.66 42.46 3g74 h LEU 39 CO 0.13 0.24 0.58 1.17 -0.34 0.00 0.00 178.44 180.22 3g74 n LYS 40 N -4.98 -0.04 -1.48 1.25 4.81 -0.23 -4.55 118.16 112.95 3g74 n LYS 40 Ca -0.08 1.04 -0.40 0.00 -0.87 0.00 0.00 58.31 58.01 3g74 n LYS 40 Cb 0.17 -1.97 -0.02 0.00 0.02 0.00 0.00 35.03 33.23 3g74 n LYS 40 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3g74 n SER 41 N -4.52 8.06 -4.54 3.14 7.64 -1.06 -1.72 113.62 120.62 3g74 n SER 41 Ca 0.31 -2.69 -0.34 0.00 1.01 0.00 0.00 58.87 57.16 3g74 n SER 41 Cb 1.14 -1.54 -0.12 0.00 -1.01 0.00 0.00 64.21 62.69 3g74 n SER 41 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3g74 s LYS 43 N 1.77 3.34 -0.01 1.43 1.02 -1.26 -4.78 119.74 121.24 3g74 s LYS 43 Ca 0.65 -0.52 0.01 0.00 0.02 0.00 0.00 55.97 56.13 3g74 s LYS 43 Cb 0.17 -2.81 -0.01 0.00 -0.52 0.00 0.00 37.83 34.66 3g74 s LYS 43 CO -0.07 0.41 -0.01 -0.11 -0.92 0.00 0.00 175.35 174.66 3g74 n LEU 44 N 3.01 1.57 -3.67 3.17 7.94 0.20 -4.83 117.00 124.38 3g74 n LEU 44 Ca -0.18 -0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.59 3g74 n LEU 44 Cb 0.53 -0.01 -0.08 0.00 0.53 0.00 0.00 43.42 44.38 3g74 n LEU 44 CO 0.31 0.29 0.27 -0.22 -1.11 0.00 0.00 177.39 176.92 3g74 s LEU 45 N -4.62 -0.27 0.25 -1.96 2.96 -1.04 -5.00 118.68 109.01 3g74 s LEU 45 Ca -0.01 1.18 0.10 0.00 -0.22 0.00 0.00 54.13 55.18 3g74 s LEU 45 Cb 0.00 1.99 -0.04 0.00 0.50 0.00 0.00 46.19 48.64 3g74 s LEU 45 CO 0.04 -0.20 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.11 3g74 s GLU 46 N 0.45 2.14 -0.84 1.98 2.12 -1.26 -0.62 118.70 122.67 3g74 s GLU 46 Ca -0.01 -1.45 -0.19 0.00 0.36 0.00 0.00 54.97 53.68 3g74 s GLU 46 Cb -0.04 -2.09 0.13 0.00 0.26 0.00 0.00 34.13 32.39 3g74 s GLU 46 CO -0.01 0.37 1.01 0.34 -0.54 0.00 0.00 175.26 176.43 3g74 s ASP 47 N -3.47 6.53 0.00 -1.70 2.15 0.20 -4.69 116.67 115.69 3g74 s ASP 47 Ca 0.30 -1.91 0.00 0.00 0.43 0.00 0.00 52.55 51.37 3g74 s ASP 47 Cb -0.07 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 3g74 s ASP 47 CO 0.18 -1.06 0.00 0.35 -0.17 0.00 0.00 175.17 174.47 3g74 n THR 48 N 5.38 0.00 -2.62 1.71 -2.24 -1.26 -5.01 114.28 110.24 3g74 n THR 48 Ca 0.15 -0.20 -0.41 0.00 -2.27 0.00 0.00 64.05 61.31 3g74 n THR 48 Cb 0.48 0.75 -0.04 0.00 -2.10 0.00 0.00 70.33 69.42 3g74 n THR 48 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3g74 s THR 49 N -0.85 4.32 0.44 4.28 2.01 -1.26 -5.01 115.64 119.56 3g74 s THR 49 Ca 0.00 1.85 -0.25 0.00 0.31 0.00 0.00 61.69 63.60 3g74 s THR 49 Cb 0.00 -4.18 -0.08 0.00 0.01 0.00 0.00 72.50 68.25 3g74 s THR 49 CO 0.00 0.25 1.34 -0.75 -0.69 0.00 0.00 174.62 174.77 3g74 s LYS 50 N 0.24 3.76 -1.10 4.92 2.47 -1.26 -2.97 119.74 125.79 3g74 s LYS 50 Ca 0.50 2.22 -0.07 0.00 -1.56 0.00 0.00 55.97 57.06 3g74 s LYS 50 Cb -0.26 -2.63 0.06 0.00 -1.46 0.00 0.00 37.83 33.54 3g74 s LYS 50 CO 0.31 -0.69 0.33 0.41 0.16 0.00 0.00 175.35 175.87 3g74 n GLY 51 N 0.63 -0.48 2.81 5.54 0.00 -1.26 -4.97 105.19 107.45 3g74 n GLY 51 Ca 0.05 0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 3g74 n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3g74 s LYS 52 N -5.74 0.07 0.00 1.61 2.20 -1.16 -4.98 119.74 111.74 3g74 s LYS 52 Ca 0.29 0.12 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 3g74 s LYS 52 Cb -0.15 -0.28 0.00 0.00 -1.51 0.00 0.00 37.83 35.89 3g74 s LYS 52 CO 0.35 -0.12 0.00 1.63 -0.36 0.00 0.00 175.35 176.85 3g74 n LYS 53 N 3.95 3.38 -3.89 4.03 4.01 -1.26 -4.78 118.16 123.59 3g74 n LYS 53 Ca -0.25 0.00 -0.36 0.00 -0.51 0.00 0.00 58.31 57.20 3g74 n LYS 53 Cb 0.52 -0.41 -0.13 0.00 -0.51 0.00 0.00 35.03 34.50 3g74 n LYS 53 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 3g74 s ARG 54 N -0.67 3.61 0.31 1.97 6.06 -1.26 -1.16 118.95 127.82 3g74 s ARG 54 Ca 0.00 -0.51 0.09 0.00 -2.50 0.00 0.00 55.73 52.81 3g74 s ARG 54 Cb 0.00 -3.19 -0.06 0.00 0.06 0.00 0.00 34.95 31.76 3g74 s ARG 54 CO 0.00 -0.11 -0.10 0.71 -2.50 0.00 0.00 175.30 173.30 3g74 s TYR 55 N 1.34 2.24 -0.09 5.12 2.02 0.11 -4.99 117.35 123.10 3g74 s TYR 55 Ca 0.05 -0.53 0.01 0.00 -0.37 0.00 0.00 57.07 56.22 3g74 s TYR 55 Cb -0.15 -1.22 0.02 0.00 -0.40 0.00 0.00 41.96 40.21 3g74 s TYR 55 CO 0.02 0.52 -0.08 -1.50 -1.57 0.00 0.00 175.55 172.93 3g74 s ILE 56 N -2.72 0.98 -0.23 2.71 2.07 -1.26 -0.00 121.20 122.75 3g74 s ILE 56 Ca 0.31 -0.31 -0.04 0.00 -1.41 0.00 0.00 60.65 59.20 3g74 s ILE 56 Cb 0.01 -0.96 -0.00 0.00 0.13 0.00 0.00 42.46 41.64 3g74 s ILE 56 CO 0.15 0.34 -0.04 -0.69 -1.91 0.00 0.00 174.94 172.79 3g74 s VAL 57 N 1.28 3.35 0.21 4.00 1.01 0.97 -4.92 120.40 126.30 3g74 s VAL 57 Ca -0.03 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 3g74 s VAL 57 Cb -0.14 -2.55 -0.08 0.00 0.00 0.00 0.00 36.38 33.61 3g74 s VAL 57 CO -0.03 0.38 1.12 -0.55 0.00 0.00 0.00 175.10 176.03 3g74 s SER 58 N 1.46 7.22 0.00 3.32 0.15 -1.26 -0.50 113.70 124.09 3g74 s SER 58 Ca 0.05 2.18 0.00 0.00 0.70 0.00 0.00 55.95 58.88 3g74 s SER 58 Cb -0.15 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 3g74 s SER 58 CO -0.03 -0.23 0.35 0.00 1.20 0.00 0.00 173.24 174.53 3g74 n ILE 59 N 2.02 0.00 0.00 6.45 0.13 -0.92 -3.72 119.36 123.32 3g74 n ILE 59 Ca 0.02 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.67 3g74 n ILE 59 Cb 0.45 -0.89 0.00 0.00 -0.84 0.00 0.00 39.64 38.37 3g74 n ILE 59 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 3g74 n LYS 61 N 2.69 0.00 -0.13 9.51 4.81 -1.26 -1.61 118.16 132.17 3g74 n LYS 61 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 3g74 n LYS 61 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 3g74 n LYS 61 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 3g74 h ILE 62 N 0.00 1.22 -0.27 3.15 2.04 -1.98 -3.21 117.51 118.45 3g74 h ILE 62 Ca 0.00 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 3g74 h ILE 62 Cb 0.00 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3g74 h ILE 62 CO 0.00 0.25 0.06 0.40 0.00 0.00 0.00 178.15 178.87 3g74 h ILE 63 N 0.49 1.22 0.00 -0.67 2.04 -1.63 0.81 117.51 119.76 3g74 h ILE 63 Ca 0.12 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3g74 h ILE 63 Cb 0.28 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 3g74 h ILE 63 CO -0.00 0.23 0.00 1.21 0.00 0.00 0.00 178.15 179.59 3g74 n GLU 64 N -4.69 0.17 0.00 2.37 2.13 -1.21 0.30 120.64 119.70 3g74 n GLU 64 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 3g74 n GLU 64 Cb 0.18 -1.18 0.00 0.00 0.27 0.00 0.00 31.44 30.71 3g74 n GLU 64 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3g74 n ALA 66 N 0.56 0.00 0.25 4.31 0.00 0.28 -1.55 120.51 124.36 3g74 n ALA 66 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3g74 n ALA 66 Cb 0.06 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.14 3g74 n ALA 66 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3g74 h ASP 67 N 0.00 0.00 1.35 0.00 3.32 -0.40 -0.94 116.42 119.76 3g74 h ASP 67 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g74 h ASP 67 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3g74 h ASP 67 CO 0.00 0.12 -0.20 1.56 -1.72 0.00 0.00 179.24 178.99 3g74 h GLN 68 N 0.00 0.00 0.00 3.56 4.20 -1.52 -3.35 115.11 118.00 3g74 h GLN 68 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3g74 h GLN 68 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3g74 h GLN 68 CO 0.02 0.00 -0.62 0.25 -0.67 0.00 0.00 178.83 177.81 3g74 n THR 69 N -2.33 0.00 -4.39 -0.54 -2.24 -0.87 -5.03 114.28 98.89 3g74 n THR 69 Ca 0.05 -0.27 -0.28 0.00 -2.27 0.00 0.00 64.05 61.27 3g74 n THR 69 Cb 0.45 0.75 -0.13 0.00 -2.10 0.00 0.00 70.33 69.30 3g74 n THR 69 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3g74 s PHE 70 N -1.78 2.26 -0.16 4.78 0.08 -0.41 -5.07 117.98 117.69 3g74 s PHE 70 Ca 0.00 -0.38 -0.19 0.00 0.12 0.00 0.00 56.93 56.49 3g74 s PHE 70 Cb 0.03 -1.21 -0.16 0.00 -0.57 0.00 0.00 43.02 41.11 3g74 s PHE 70 CO 0.18 0.36 0.29 1.96 -0.10 0.00 0.00 175.22 177.91 3g74 h GLN 71 N 3.77 0.00 -2.14 0.44 1.08 -1.88 -3.43 115.11 112.95 3g74 h GLN 71 Ca -0.50 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.17 3g74 h GLN 71 Cb 1.18 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 28.20 3g74 h GLN 71 CO 0.41 0.69 -0.92 0.09 -0.95 0.00 0.00 178.83 178.14 3g74 n ASN 72 N -4.57 2.64 -4.05 1.46 5.03 -1.26 -5.04 115.26 109.46 3g74 n ASN 72 Ca -0.16 -3.34 -0.32 0.00 0.87 0.00 0.00 54.58 51.63 3g74 n ASN 72 Cb 0.45 -0.59 -0.15 0.00 -1.02 0.00 0.00 39.78 38.46 3g74 n ASN 72 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3g74 s VAL 73 N -3.40 2.03 0.31 2.41 1.01 -1.26 -3.95 120.40 117.54 3g74 s VAL 73 Ca 0.44 -1.43 -0.28 0.00 0.00 0.00 0.00 61.98 60.70 3g74 s VAL 73 Cb 0.31 -2.11 -0.10 0.00 0.00 0.00 0.00 36.38 34.49 3g74 s VAL 73 CO -0.11 0.06 1.15 -1.81 0.00 0.00 0.00 175.10 174.38 3g74 s ASP 74 N 1.19 7.04 -0.14 3.32 -0.00 -0.69 -4.93 116.67 122.46 3g74 s ASP 74 Ca -0.06 2.35 0.01 0.00 -0.00 0.00 0.00 52.55 54.84 3g74 s ASP 74 Cb -0.19 -2.63 -0.01 0.00 -0.00 0.00 0.00 42.92 40.10 3g74 s ASP 74 CO -0.07 -0.31 -0.16 -0.63 -0.00 0.00 0.00 175.17 174.01 3g74 s ILE 75 N -1.22 2.71 -0.25 0.77 1.01 -1.26 0.58 121.20 123.54 3g74 s ILE 75 Ca 0.48 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 60.32 3g74 s ILE 75 Cb -0.33 -2.13 0.01 0.00 0.01 0.00 0.00 42.46 40.02 3g74 s ILE 75 CO 0.42 0.52 -0.02 -1.58 0.00 0.00 0.00 174.94 174.28 3g74 s GLN 76 N 0.62 3.15 0.01 2.79 2.00 0.63 -4.91 119.66 123.94 3g74 s GLN 76 Ca -0.09 -0.78 -0.26 0.00 -2.00 0.00 0.00 55.36 52.23 3g74 s GLN 76 Cb -0.16 -3.08 -0.05 0.00 0.80 0.00 0.00 33.01 30.52 3g74 s GLN 76 CO 0.03 -0.31 0.79 1.21 -0.50 0.00 0.00 175.29 176.51 3g74 s ASN 77 N 1.44 7.19 -0.03 6.67 3.04 -1.26 -0.76 114.94 131.23 3g74 s ASN 77 Ca 0.03 1.43 -0.01 0.00 0.04 0.00 0.00 52.86 54.36 3g74 s ASN 77 Cb -0.16 -2.48 -0.02 0.00 -1.54 0.00 0.00 41.25 37.06 3g74 s ASN 77 CO -0.02 -0.07 -0.04 -0.38 -3.04 0.00 0.00 177.10 173.55 3g74 n ILE 78 N 3.23 0.18 0.00 -5.21 2.08 0.29 -4.89 119.36 115.04 3g74 n ILE 78 Ca -0.01 -0.06 0.00 0.00 0.56 0.00 0.00 62.75 63.25 3g74 n ILE 78 Cb 0.51 -1.09 0.00 0.00 -0.75 0.00 0.00 39.64 38.30 3g74 n ILE 78 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3g74 n GLY 79 N 3.06 0.99 3.88 7.39 0.00 -1.07 -4.95 105.19 114.50 3g74 n GLY 79 Ca -0.06 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 3g74 n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g74 s GLU 80 N 2.74 1.24 0.00 1.61 0.41 -1.26 -5.01 118.70 118.43 3g74 s GLU 80 Ca 0.00 -0.05 0.03 0.00 -0.41 0.00 0.00 54.97 54.55 3g74 s GLU 80 Cb 0.00 -1.88 0.00 0.00 -1.78 0.00 0.00 34.13 30.47 3g74 s GLU 80 CO 0.00 -2.07 0.41 0.25 -0.49 0.00 0.00 175.26 173.36 3g74 n THR 81 N -3.61 0.00 -3.68 3.63 -2.24 -1.26 -4.81 114.28 102.32 3g74 n THR 81 Ca 0.10 -0.47 -0.09 0.00 -2.27 0.00 0.00 64.05 61.32 3g74 n THR 81 Cb 0.60 1.04 -0.10 0.00 -2.10 0.00 0.00 70.33 69.77 3g74 n THR 81 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3g74 s GLU 82 N -0.73 0.38 -0.15 -0.78 0.41 -1.26 -2.16 118.70 114.41 3g74 s GLU 82 Ca 0.03 0.92 -0.01 0.00 -0.41 0.00 0.00 54.97 55.50 3g74 s GLU 82 Cb 0.03 0.14 -0.02 0.00 -1.78 0.00 0.00 34.13 32.50 3g74 s GLU 82 CO 0.08 -0.20 -0.10 0.00 -0.49 0.00 0.00 175.26 174.55 3g74 s VAL 84 N 0.52 4.70 -0.25 0.00 1.01 -0.53 -0.02 120.40 125.82 3g74 s VAL 84 Ca -0.07 0.91 -0.14 0.00 0.00 0.00 0.00 61.98 62.68 3g74 s VAL 84 Cb -0.15 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 3g74 s VAL 84 CO 0.04 -0.47 0.30 -0.69 0.00 0.00 0.00 175.10 174.28 3g74 s VAL 85 N 3.19 5.24 -0.27 2.92 1.01 0.99 -1.57 120.40 131.90 3g74 s VAL 85 Ca 0.32 0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.70 3g74 s VAL 85 Cb -0.13 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.63 3g74 s VAL 85 CO 0.18 0.22 0.03 -0.70 0.00 0.00 0.00 175.10 174.83 3g74 s GLU 86 N 1.70 3.08 -0.43 2.72 2.12 -0.53 0.09 118.70 127.46 3g74 s GLU 86 Ca 0.13 -0.84 -0.24 0.00 0.36 0.00 0.00 54.97 54.37 3g74 s GLU 86 Cb -0.15 -3.24 0.02 0.00 0.26 0.00 0.00 34.13 31.02 3g74 s GLU 86 CO 0.09 -0.40 0.85 -0.06 -0.54 0.00 0.00 175.26 175.20 3g74 s PHE 87 N 1.46 3.00 0.53 5.30 0.08 -0.31 0.08 117.98 128.13 3g74 s PHE 87 Ca 0.02 0.40 -0.05 0.00 0.12 0.00 0.00 56.93 57.42 3g74 s PHE 87 Cb -0.17 -3.72 -0.01 0.00 -0.57 0.00 0.00 43.02 38.55 3g74 s PHE 87 CO 0.00 -0.96 0.83 -1.59 -0.10 0.00 0.00 175.22 173.40 3g74 s LYS 88 N 3.44 3.21 -0.72 0.44 -2.85 0.20 -4.91 119.74 118.56 3g74 s LYS 88 Ca 0.34 0.04 0.04 0.00 -1.00 0.00 0.00 55.97 55.40 3g74 s LYS 88 Cb -0.12 -2.34 0.20 0.00 -2.06 0.00 0.00 37.83 33.51 3g74 s LYS 88 CO 0.22 -0.44 0.63 -2.37 0.10 0.00 0.00 175.35 173.50 3g74 n THR 89 N -2.39 2.11 1.22 3.79 5.66 -1.26 -4.55 114.28 118.86 3g74 n THR 89 Ca 0.02 -5.04 0.13 0.00 -3.05 0.00 0.00 64.05 56.11 3g74 n THR 89 Cb 0.56 -2.18 0.29 0.00 -1.55 0.00 0.00 70.33 67.45 3g74 n THR 89 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21