#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5g n PRO 3 N 0.00 -1.97 -2.58 -0.24 -0.04 -1.26 -4.98 135.00 123.93 3d5g n PRO 3 Ca 0.00 -0.55 -0.43 0.00 -0.04 0.00 0.00 63.50 62.48 3d5g n PRO 3 Cb 0.00 -1.98 -0.02 0.00 -0.04 0.00 0.00 33.50 31.46 3d5g n PRO 3 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d5g s ALA 4 N -2.35 3.54 -0.09 0.55 0.00 -1.26 -4.97 121.76 117.18 3d5g s ALA 4 Ca 0.63 0.09 0.04 0.00 0.00 0.00 0.00 51.96 52.72 3d5g s ALA 4 Cb -0.20 -3.66 -0.01 0.00 0.00 0.00 0.00 23.12 19.25 3d5g s ALA 4 CO 0.65 -1.40 -0.22 -0.51 0.00 0.00 0.00 175.76 174.28 3d5g s LEU 5 N 3.67 2.23 0.70 0.00 1.43 -1.26 -5.05 118.68 120.39 3d5g s LEU 5 Ca 0.48 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.96 3d5g s LEU 5 Cb -0.15 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.65 3d5g s LEU 5 CO 0.15 0.19 1.11 0.00 0.23 0.00 0.00 176.35 178.03 3d5g s ALA 6 N 0.16 2.38 0.14 4.21 0.00 -1.26 -4.76 121.76 122.63 3d5g s ALA 6 Ca -0.12 0.49 -0.08 0.00 0.00 0.00 0.00 51.96 52.25 3d5g s ALA 6 Cb -0.16 -3.31 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 3d5g s ALA 6 CO 0.07 -1.45 0.43 -0.51 0.00 0.00 0.00 175.76 174.29 3d5g s ASP 7 N -2.77 6.59 -0.01 0.00 -0.00 -1.26 -0.21 116.67 119.00 3d5g s ASP 7 Ca 0.66 0.76 0.01 0.00 -0.00 0.00 0.00 52.55 53.98 3d5g s ASP 7 Cb -0.20 -2.16 0.01 0.00 -0.00 0.00 0.00 42.92 40.56 3d5g s ASP 7 CO 0.46 0.07 -0.03 0.54 -0.00 0.00 0.00 175.17 176.20 3d5g s VAL 8 N -1.60 0.32 0.20 -1.27 0.11 -0.02 -4.87 120.40 113.29 3d5g s VAL 8 Ca 0.40 -0.12 -0.30 0.00 -2.93 0.00 0.00 61.98 59.03 3d5g s VAL 8 Cb -0.13 -0.31 -0.09 0.00 -1.53 0.00 0.00 36.38 34.32 3d5g s VAL 8 CO 0.21 0.12 1.30 0.00 -3.33 0.00 0.00 175.10 173.40 3d5g h ARG 10 N 5.26 0.56 0.00 0.00 1.12 -0.52 -1.45 114.38 119.35 3d5g h ARG 10 Ca -0.45 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.39 3d5g h ARG 10 Cb 1.21 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 31.05 3d5g h ARG 10 CO 0.76 0.37 0.00 0.25 -3.11 0.00 0.00 179.97 178.24 3d5g n THR 11 N -4.90 0.94 1.03 0.20 -2.24 -0.41 -2.19 114.28 106.69 3d5g n THR 11 Ca 0.16 0.47 0.12 0.00 -2.27 0.00 0.00 64.05 62.53 3d5g n THR 11 Cb 0.42 -1.44 0.16 0.00 -2.10 0.00 0.00 70.33 67.38 3d5g n THR 11 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3d5g n LYS 12 N -2.25 0.14 -1.78 -0.78 4.76 -0.55 -4.92 118.16 112.78 3d5g n LYS 12 Ca 0.00 -0.09 -0.33 0.00 -2.87 0.00 0.00 58.31 55.03 3d5g n LYS 12 Cb 0.14 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 31.87 3d5g n LYS 12 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3d5g s LEU 13 N -2.93 3.37 0.39 -0.35 1.43 -0.93 -4.96 118.68 114.70 3d5g s LEU 13 Ca 0.12 1.90 -0.24 0.00 -1.03 0.00 0.00 54.13 54.88 3d5g s LEU 13 Cb 0.17 -4.54 -0.13 0.00 0.03 0.00 0.00 46.19 41.73 3d5g s LEU 13 CO 0.72 -1.52 0.71 -2.65 0.23 0.00 0.00 176.35 173.84 3d5g n PRO 14 N -2.45 0.81 -0.31 1.29 -0.02 -1.26 -4.74 135.00 128.32 3d5g n PRO 14 Ca 0.10 0.29 0.15 0.00 -2.02 0.00 0.00 63.50 62.02 3d5g n PRO 14 Cb 0.52 -1.63 0.33 0.00 -0.02 0.00 0.00 33.50 32.70 3d5g n PRO 14 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3d5g h SER 15 N 1.14 0.19 0.11 2.55 4.64 -1.95 -1.04 113.55 119.19 3d5g h SER 15 Ca -0.40 0.19 -0.09 0.00 -0.47 0.00 0.00 61.79 61.01 3d5g h SER 15 Cb 1.38 0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.66 3d5g h SER 15 CO 0.54 -0.11 -0.30 1.56 -0.87 0.00 0.00 176.83 177.65 3d5g h GLN 16 N 0.28 0.30 -0.30 4.77 1.08 -1.89 -0.34 115.11 119.02 3d5g h GLN 16 Ca 0.59 -0.11 -0.05 0.00 -1.45 0.00 0.00 58.65 57.63 3d5g h GLN 16 Cb 1.22 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.62 3d5g h GLN 16 CO -0.61 0.58 -0.01 0.00 -0.95 0.00 0.00 178.83 177.83 3d5g h ALA 17 N 1.43 0.41 -0.74 3.87 0.00 -1.55 -1.63 119.26 121.04 3d5g h ALA 17 Ca 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3d5g h ALA 17 Cb 0.67 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3d5g h ALA 17 CO 0.05 0.17 0.42 1.96 0.00 0.00 0.00 179.25 181.85 3d5g h GLN 18 N 0.33 1.01 -0.51 0.00 4.20 -0.91 -1.32 115.11 117.90 3d5g h GLN 18 Ca 0.08 -0.10 0.05 0.00 0.06 0.00 0.00 58.65 58.75 3d5g h GLN 18 Cb 0.45 -0.21 -0.05 0.00 0.30 0.00 0.00 27.48 27.98 3d5g h GLN 18 CO 0.02 0.73 0.24 -0.44 -0.67 0.00 0.00 178.83 178.71 3d5g h ASP 19 N 1.03 0.32 -0.56 1.46 3.32 -0.79 -1.14 116.42 120.05 3d5g h ASP 19 Ca 0.26 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 3d5g h ASP 19 Cb -0.00 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3d5g h ASP 19 CO -0.05 0.22 0.24 0.74 -1.72 0.00 0.00 179.24 178.67 3d5g h THR 20 N 0.46 1.22 -0.99 0.35 2.02 -0.69 -0.83 112.91 114.45 3d5g h THR 20 Ca 0.23 -0.66 0.05 0.00 0.77 0.00 0.00 66.41 66.80 3d5g h THR 20 Cb 0.18 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 67.13 3d5g h THR 20 CO -0.19 0.26 0.64 -0.07 0.37 0.00 0.00 175.52 176.53 3d5g h LEU 21 N 0.77 1.06 -0.76 2.58 3.38 -0.53 -0.54 115.31 121.26 3d5g h LEU 21 Ca 0.19 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 3d5g h LEU 21 Cb 0.17 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3d5g h LEU 21 CO -0.02 0.71 -0.45 0.00 0.09 0.00 0.00 178.44 178.76 3d5g h ALA 22 N 1.44 0.94 -0.28 1.53 0.00 -0.83 -1.76 119.26 120.30 3d5g h ALA 22 Ca 0.40 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 3d5g h ALA 22 Cb 0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3d5g h ALA 22 CO -0.14 0.64 -0.40 -0.07 0.00 0.00 0.00 179.25 179.29 3d5g h LEU 23 N 0.30 0.83 -0.51 0.00 3.38 -0.57 -1.95 115.31 116.79 3d5g h LEU 23 Ca 0.02 -0.51 0.07 0.00 0.09 0.00 0.00 57.88 57.55 3d5g h LEU 23 Cb 0.92 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 3d5g h LEU 23 CO 0.08 1.17 0.18 0.40 0.09 0.00 0.00 178.44 180.36 3d5g h ILE 24 N 0.50 0.81 -0.24 1.22 2.04 -1.06 0.11 117.51 120.90 3d5g h ILE 24 Ca 0.03 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 3d5g h ILE 24 Cb 0.99 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3d5g h ILE 24 CO 0.09 0.06 0.03 0.00 0.00 0.00 0.00 178.15 178.34 3d5g h ALA 25 N 1.35 1.62 -0.01 1.87 0.00 -1.04 -1.01 119.26 122.03 3d5g h ALA 25 Ca 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3d5g h ALA 25 Cb 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3d5g h ALA 25 CO -0.26 0.29 -0.10 1.63 0.00 0.00 0.00 179.25 180.81 3d5g n LYS 26 N -4.38 0.99 -3.64 0.00 5.02 -0.76 -4.95 118.16 110.44 3d5g n LYS 26 Ca 0.00 -0.43 -0.24 0.00 -2.02 0.00 0.00 58.31 55.63 3d5g n LYS 26 Cb 0.17 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 33.76 3d5g n LYS 26 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3d5g n ASN 27 N -0.63 -5.26 0.00 4.39 5.15 -0.38 -4.77 115.26 113.76 3d5g n ASN 27 Ca 0.16 -0.61 0.00 0.00 -0.60 0.00 0.00 54.58 53.53 3d5g n ASN 27 Cb 0.29 -4.78 0.00 0.00 -0.53 0.00 0.00 39.78 34.76 3d5g n ASN 27 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3d5g n GLY 28 N -1.81 -0.63 3.73 8.20 0.00 -0.11 -4.81 105.19 109.76 3d5g n GLY 28 Ca -0.04 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 3d5g n GLY 28 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3d5g n PRO 29 N 0.00 1.84 -3.87 1.61 -0.02 -1.26 -4.99 135.00 128.31 3d5g n PRO 29 Ca 0.00 0.67 -0.27 0.00 -2.02 0.00 0.00 63.50 61.88 3d5g n PRO 29 Cb 0.00 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 30.91 3d5g n PRO 29 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3d5g s TYR 30 N -1.26 3.49 -0.30 6.00 1.51 -1.26 -5.02 117.35 120.51 3d5g s TYR 30 Ca 0.67 0.20 0.27 0.00 -1.01 0.00 0.00 57.07 57.21 3d5g s TYR 30 Cb -0.44 -1.73 0.80 0.00 -0.11 0.00 0.00 41.96 40.47 3d5g s TYR 30 CO 0.53 0.48 1.77 -1.00 -1.11 0.00 0.00 175.55 176.22 3d5g h PRO 31 N 2.22 0.00 -6.28 -1.71 0.13 -1.99 -3.45 132.00 120.92 3d5g h PRO 31 Ca -0.48 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.04 3d5g h PRO 31 Cb 1.19 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.06 3d5g h PRO 31 CO 0.69 0.00 -0.85 0.71 -0.23 0.00 0.00 178.00 178.32 3d5g s TYR 32 N -3.36 1.95 0.50 1.56 2.02 -1.26 -5.02 117.35 113.74 3d5g s TYR 32 Ca 0.05 -0.39 0.16 0.00 -0.37 0.00 0.00 57.07 56.52 3d5g s TYR 32 Cb 0.08 -1.15 1.20 0.00 -0.40 0.00 0.00 41.96 41.69 3d5g s TYR 32 CO 0.59 0.12 2.10 -0.91 -1.57 0.00 0.00 175.55 175.89 3d5g h ASN 33 N 4.75 0.10 -0.01 2.29 4.21 -2.05 -1.68 115.58 123.19 3d5g h ASN 33 Ca -0.44 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.07 3d5g h ASN 33 Cb 1.16 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 38.33 3d5g h ASN 33 CO 0.43 0.07 0.00 0.54 -1.29 0.00 0.00 177.43 177.18 3d5g n ARG 34 N -4.50 1.47 -1.78 0.81 1.74 -1.26 -4.84 116.66 108.30 3d5g n ARG 34 Ca 0.01 -0.68 -0.42 0.00 -0.77 0.00 0.00 57.85 55.98 3d5g n ARG 34 Cb 0.17 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 3d5g n ARG 34 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3d5g s ASP 35 N -1.99 6.46 0.00 0.55 -0.00 -0.63 -2.70 116.67 118.36 3d5g s ASP 35 Ca 0.41 2.72 0.00 0.00 -0.00 0.00 0.00 52.55 55.68 3d5g s ASP 35 Cb 0.21 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.55 3d5g s ASP 35 CO 0.34 -0.95 0.00 0.61 -0.00 0.00 0.00 175.17 175.17 3d5g n GLY 36 N 4.07 0.72 3.77 0.21 0.00 0.13 -5.00 105.19 109.08 3d5g n GLY 36 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3d5g n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d5g s VAL 37 N -2.71 2.77 0.27 1.61 1.01 -1.10 -4.63 120.40 117.62 3d5g s VAL 37 Ca 0.00 0.65 -0.29 0.00 0.00 0.00 0.00 61.98 62.33 3d5g s VAL 37 Cb 0.00 -3.36 -0.14 0.00 0.00 0.00 0.00 36.38 32.88 3d5g s VAL 37 CO 0.00 0.06 1.11 0.52 0.00 0.00 0.00 175.10 176.79 3d5g n VAL 38 N -0.11 1.66 -3.92 2.92 0.31 -1.26 -0.93 118.33 117.00 3d5g n VAL 38 Ca 0.05 -0.41 -0.36 0.00 -0.01 0.00 0.00 64.34 63.61 3d5g n VAL 38 Cb 0.45 -1.08 -0.12 0.00 -0.91 0.00 0.00 33.84 32.18 3d5g n VAL 38 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3d5g s PHE 39 N -0.77 3.06 -1.30 3.52 2.19 0.54 -4.72 117.98 120.50 3d5g s PHE 39 Ca 0.62 -0.45 0.27 0.00 0.33 0.00 0.00 56.93 57.70 3d5g s PHE 39 Cb -0.71 -2.15 0.94 0.00 -1.31 0.00 0.00 43.02 39.79 3d5g s PHE 39 CO 0.57 -0.29 1.70 0.39 1.83 0.00 0.00 175.22 179.42 3d5g n GLU 40 N 4.53 0.32 -3.73 10.12 1.02 -1.26 -4.22 120.64 127.42 3d5g n GLU 40 Ca -0.17 -0.13 -0.24 0.00 -0.02 0.00 0.00 57.16 56.60 3d5g n GLU 40 Cb 0.52 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.48 3d5g n GLU 40 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3d5g n ASN 41 N -1.22 -3.35 0.28 1.62 5.15 -1.26 -4.83 115.26 111.65 3d5g n ASN 41 Ca 0.10 -0.74 0.18 0.00 -0.60 0.00 0.00 54.58 53.51 3d5g n ASN 41 Cb 0.32 -4.28 0.74 0.00 -0.53 0.00 0.00 39.78 36.03 3d5g n ASN 41 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 3d5g h ARG 42 N -2.08 0.00 -0.33 1.20 2.47 -1.99 -1.42 114.38 112.22 3d5g h ARG 42 Ca -0.59 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.13 3d5g h ARG 42 Cb 1.36 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.68 3d5g h ARG 42 CO 0.59 0.01 0.00 0.39 0.56 0.00 0.00 179.97 181.53 3d5g n GLU 43 N -3.11 2.08 -2.86 0.04 -0.58 -1.26 -4.94 120.64 110.01 3d5g n GLU 43 Ca 0.00 -1.65 -0.17 0.00 -0.42 0.00 0.00 57.16 54.92 3d5g n GLU 43 Cb 0.28 -1.43 -0.00 0.00 -0.57 0.00 0.00 31.44 29.72 3d5g n GLU 43 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3d5g n SER 44 N 0.86 -3.78 0.16 1.62 7.64 -0.54 -4.86 113.62 114.72 3d5g n SER 44 Ca 0.17 -0.06 0.02 0.00 1.01 0.00 0.00 58.87 60.01 3d5g n SER 44 Cb 0.44 -3.17 0.24 0.00 -1.01 0.00 0.00 64.21 60.70 3d5g n SER 44 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3d5g h ARG 45 N -0.48 0.00 -6.35 1.43 3.08 -1.92 -3.42 114.38 106.71 3d5g h ARG 45 Ca -0.35 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.25 3d5g h ARG 45 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3d5g h ARG 45 CO 0.42 0.51 -0.32 -0.51 -1.07 0.00 0.00 179.97 179.00 3d5g s LEU 46 N -7.27 4.04 0.22 3.04 1.43 -1.26 -4.78 118.68 114.10 3d5g s LEU 46 Ca -0.00 0.03 -0.31 0.00 -1.03 0.00 0.00 54.13 52.82 3d5g s LEU 46 Cb 0.12 -2.91 -0.15 0.00 0.03 0.00 0.00 46.19 43.28 3d5g s LEU 46 CO 0.73 -0.34 1.15 -2.65 0.23 0.00 0.00 176.35 175.47 3d5g n PRO 47 N -1.65 1.34 -2.33 1.29 -0.02 -1.26 -4.88 135.00 127.49 3d5g n PRO 47 Ca -0.03 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 3d5g n PRO 47 Cb 0.57 -1.96 -0.03 0.00 -0.02 0.00 0.00 33.50 32.07 3d5g n PRO 47 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3d5g s LYS 48 N -0.74 4.36 0.34 -0.52 1.02 -1.26 -4.99 119.74 117.95 3d5g s LYS 48 Ca 0.68 1.86 0.06 0.00 0.02 0.00 0.00 55.97 58.58 3d5g s LYS 48 Cb -0.78 -3.43 -0.02 0.00 -0.52 0.00 0.00 37.83 33.08 3d5g s LYS 48 CO 0.54 -0.41 0.33 0.15 -0.92 0.00 0.00 175.35 175.04 3d5g s LYS 49 N 1.63 1.81 0.91 1.68 -0.14 -1.26 -5.16 119.74 119.21 3d5g s LYS 49 Ca 0.61 -1.98 -0.13 0.00 -1.36 0.00 0.00 55.97 53.10 3d5g s LYS 49 Cb -0.30 0.35 0.14 0.00 -1.68 0.00 0.00 37.83 36.34 3d5g s LYS 49 CO 0.27 -0.69 1.16 0.20 -0.76 0.00 0.00 175.35 175.53 3d5g s GLY 50 N -3.35 1.59 0.35 -3.33 0.00 -1.26 -4.94 107.32 96.38 3d5g s GLY 50 Ca 0.39 -0.62 -0.29 0.00 0.00 0.00 0.00 44.72 44.20 3d5g s GLY 50 CO 0.27 -0.04 1.51 0.70 0.00 0.00 0.00 173.10 175.54 3d5g n ASN 51 N -3.74 3.77 -0.10 1.64 4.13 -1.26 -2.82 115.26 116.89 3d5g n ASN 51 Ca 0.08 1.20 -0.01 0.00 1.68 0.00 0.00 54.58 57.53 3d5g n ASN 51 Cb 0.60 -1.61 -0.01 0.00 -1.54 0.00 0.00 39.78 37.22 3d5g n ASN 51 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3d5g n GLY 52 N 1.00 0.49 0.29 7.41 0.00 -1.26 -4.91 105.19 108.20 3d5g n GLY 52 Ca 0.04 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 3d5g n GLY 52 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3d5g h TYR 53 N 0.00 1.09 -3.38 1.61 3.20 -1.83 -3.45 116.97 114.20 3d5g h TYR 53 Ca -0.03 -0.23 -0.66 0.00 3.14 0.00 0.00 58.73 60.95 3d5g h TYR 53 Cb 0.22 -0.27 -0.13 0.00 1.54 0.00 0.00 36.73 38.09 3d5g h TYR 53 CO 0.12 1.03 -0.66 0.71 -1.64 0.00 0.00 178.16 177.73 3d5g s TYR 54 N -4.78 3.01 0.06 -3.82 1.51 -1.26 -1.74 117.35 110.34 3d5g s TYR 54 Ca -0.11 0.01 0.03 0.00 -1.01 0.00 0.00 57.07 55.99 3d5g s TYR 54 Cb 0.13 -1.60 -0.03 0.00 -0.11 0.00 0.00 41.96 40.35 3d5g s TYR 54 CO 0.86 0.46 -0.09 -1.01 -1.11 0.00 0.00 175.55 174.66 3d5g s HIS 55 N -1.19 0.83 0.08 2.71 3.76 -0.60 -0.34 115.29 120.55 3d5g s HIS 55 Ca 0.22 -0.59 0.08 0.00 -0.15 0.00 0.00 55.06 54.62 3d5g s HIS 55 Cb -0.12 -0.48 -0.04 0.00 1.11 0.00 0.00 32.58 33.06 3d5g s HIS 55 CO 0.14 -0.07 -0.17 -1.83 -0.85 0.00 0.00 174.74 171.96 3d5g s GLU 56 N -2.19 1.97 -0.02 1.40 4.04 -0.10 -0.80 118.70 122.99 3d5g s GLU 56 Ca -0.03 -1.06 0.01 0.00 0.04 0.00 0.00 54.97 53.93 3d5g s GLU 56 Cb -0.06 -2.17 0.01 0.00 0.02 0.00 0.00 34.13 31.92 3d5g s GLU 56 CO -0.00 0.51 -0.04 -0.06 -1.84 0.00 0.00 175.26 173.83 3d5g s PHE 57 N -1.04 0.56 0.27 4.83 0.08 0.30 0.20 117.98 123.17 3d5g s PHE 57 Ca 0.17 -0.12 -0.30 0.00 0.12 0.00 0.00 56.93 56.80 3d5g s PHE 57 Cb -0.11 -0.45 -0.10 0.00 -0.57 0.00 0.00 43.02 41.80 3d5g s PHE 57 CO 0.08 -0.09 1.34 0.99 -0.10 0.00 0.00 175.22 177.44 3d5g s THR 58 N 0.38 2.88 -0.33 0.64 2.01 -1.26 -0.99 115.64 118.97 3d5g s THR 58 Ca -0.04 0.79 -0.12 0.00 0.31 0.00 0.00 61.69 62.63 3d5g s THR 58 Cb -0.08 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 3d5g s THR 58 CO -0.00 0.15 0.21 -0.69 -0.69 0.00 0.00 174.62 173.59 3d5g s VAL 59 N -0.43 5.04 0.33 3.82 1.01 -0.07 -4.81 120.40 125.29 3d5g s VAL 59 Ca 0.54 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.96 3d5g s VAL 59 Cb -0.39 -3.57 -0.11 0.00 0.00 0.00 0.00 36.38 32.31 3d5g s VAL 59 CO 0.45 0.03 1.50 -0.69 0.00 0.00 0.00 175.10 176.40 3d5g s VAL 60 N 1.68 2.19 -0.28 2.92 1.01 -1.26 -4.37 120.40 122.29 3d5g s VAL 60 Ca 0.06 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 3d5g s VAL 60 Cb -0.17 -3.11 0.05 0.00 0.00 0.00 0.00 36.38 33.14 3d5g s VAL 60 CO 0.09 0.04 -0.04 -0.89 0.00 0.00 0.00 175.10 174.30 3d5g s THR 61 N -0.59 2.79 0.28 3.92 2.01 -1.26 -4.83 115.64 117.95 3d5g s THR 61 Ca 0.57 -1.34 -0.03 0.00 0.31 0.00 0.00 61.69 61.19 3d5g s THR 61 Cb -0.46 -2.56 0.24 0.00 0.01 0.00 0.00 72.50 69.73 3d5g s THR 61 CO 0.54 -0.01 1.93 1.55 -0.69 0.00 0.00 174.62 177.94 3d5g h PRO 62 N 7.96 1.14 0.00 4.92 0.13 -1.93 -3.33 132.00 140.88 3d5g h PRO 62 Ca -0.24 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3d5g h PRO 62 Cb 1.07 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3d5g h PRO 62 CO 0.53 0.79 0.00 0.41 -0.23 0.00 0.00 178.00 179.50 3d5g n GLY 63 N -1.31 0.00 0.00 1.56 0.00 -1.26 -4.43 105.19 99.75 3d5g n GLY 63 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3d5g n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d5g n SER 64 N -1.01 0.00 0.05 1.61 3.41 -1.25 -5.03 113.62 111.39 3d5g n SER 64 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 3d5g n SER 64 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 3d5g n SER 64 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3d5g n ASN 65 N 0.00 0.54 -4.50 4.04 4.13 -1.26 -4.99 115.26 113.22 3d5g n ASN 65 Ca 0.00 0.09 -0.38 0.00 1.68 0.00 0.00 54.58 55.97 3d5g n ASN 65 Cb 0.00 1.00 0.05 0.00 -1.54 0.00 0.00 39.78 39.28 3d5g n ASN 65 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3d5g n ASP 66 N -2.37 -0.66 -0.31 6.41 -0.08 -1.26 -4.95 116.55 113.33 3d5g n ASP 66 Ca -0.01 0.72 -0.01 0.00 -1.51 0.00 0.00 54.79 53.98 3d5g n ASP 66 Cb 0.53 -1.23 0.16 0.00 2.34 0.00 0.00 41.12 42.91 3d5g n ASP 66 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3d5g h ARG 67 N 0.17 1.19 0.00 -0.67 2.43 -1.94 -3.45 114.38 112.12 3d5g h ARG 67 Ca -0.46 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3d5g h ARG 67 Cb 1.38 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3d5g h ARG 67 CO 0.47 0.80 0.00 0.41 -1.51 0.00 0.00 179.97 180.14 3d5g n GLY 68 N -1.36 -2.15 0.44 2.80 0.00 -1.26 -4.29 105.19 99.37 3d5g n GLY 68 Ca 0.10 -1.64 0.07 0.00 0.00 0.00 0.00 46.02 44.56 3d5g n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3d5g n THR 69 N -0.13 0.00 -3.35 2.61 -2.24 -1.26 -4.99 114.28 104.92 3d5g n THR 69 Ca 0.00 -0.41 -0.38 0.00 -2.27 0.00 0.00 64.05 60.99 3d5g n THR 69 Cb 0.00 1.23 -0.06 0.00 -2.10 0.00 0.00 70.33 69.40 3d5g n THR 69 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3d5g s ARG 70 N -1.55 4.12 -0.01 -0.78 0.52 -1.24 -0.81 118.95 119.19 3d5g s ARG 70 Ca 0.14 0.63 -0.10 0.00 -0.52 0.00 0.00 55.73 55.88 3d5g s ARG 70 Cb 0.12 -3.24 0.01 0.00 0.52 0.00 0.00 34.95 32.36 3d5g s ARG 70 CO 0.29 0.64 0.20 1.03 0.02 0.00 0.00 175.30 177.48 3d5g s ARG 71 N -1.03 0.52 -0.09 3.54 1.81 0.96 -0.89 118.95 123.78 3d5g s ARG 71 Ca 0.27 -0.27 -0.01 0.00 -1.72 0.00 0.00 55.73 54.00 3d5g s ARG 71 Cb -0.18 0.22 -0.03 0.00 -0.45 0.00 0.00 34.95 34.51 3d5g s ARG 71 CO 0.17 -0.13 -0.03 0.08 -0.68 0.00 0.00 175.30 174.71 3d5g s VAL 72 N -1.24 3.99 -0.11 3.52 1.01 -0.16 -1.39 120.40 126.02 3d5g s VAL 72 Ca -0.13 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3d5g s VAL 72 Cb -0.06 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 3d5g s VAL 72 CO 0.02 0.59 -0.16 -0.69 0.00 0.00 0.00 175.10 174.87 3d5g s VAL 73 N -0.70 2.85 0.10 2.92 1.01 -0.75 -0.54 120.40 125.30 3d5g s VAL 73 Ca 0.11 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.37 3d5g s VAL 73 Cb -0.11 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3d5g s VAL 73 CO 0.02 0.54 0.15 0.42 0.00 0.00 0.00 175.10 176.23 3d5g s THR 74 N 0.20 4.83 0.41 3.92 -4.23 0.02 -0.48 115.64 120.30 3d5g s THR 74 Ca -0.09 -0.74 0.08 0.00 -1.18 0.00 0.00 61.69 59.76 3d5g s THR 74 Cb -0.16 -3.39 -0.02 0.00 1.34 0.00 0.00 72.50 70.28 3d5g s THR 74 CO 0.06 0.05 0.41 -0.83 -0.54 0.00 0.00 174.62 173.76 3d5g s GLY 75 N -2.69 2.07 0.42 3.99 0.00 -0.29 -1.56 107.32 109.26 3d5g s GLY 75 Ca 0.32 -1.82 0.29 0.00 0.00 0.00 0.00 44.72 43.50 3d5g s GLY 75 CO 0.25 -1.65 1.88 -1.33 0.00 0.00 0.00 173.10 172.25 3d5g h GLY 76 N 0.97 0.00 -1.19 0.20 0.00 -1.67 -1.85 103.07 99.52 3d5g h GLY 76 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3d5g h GLY 76 CO 0.55 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 175.37 3d5g n TYR 77 N -2.55 0.66 -0.67 5.60 4.01 -1.26 -4.96 117.16 117.99 3d5g n TYR 77 Ca -0.01 -0.82 0.00 0.00 -0.16 0.00 0.00 57.90 56.91 3d5g n TYR 77 Cb 0.12 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 3d5g n TYR 77 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3d5g n GLY 78 N -0.52 0.60 3.75 2.72 0.00 -0.70 -5.07 105.19 105.97 3d5g n GLY 78 Ca 0.18 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 3d5g n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d5g s GLU 79 N -1.18 3.09 -0.05 1.61 8.01 -1.25 -4.81 118.70 124.13 3d5g s GLU 79 Ca 0.00 2.27 0.01 0.00 0.01 0.00 0.00 54.97 57.26 3d5g s GLU 79 Cb 0.00 -2.24 0.02 0.00 -4.31 0.00 0.00 34.13 27.60 3d5g s GLU 79 CO 0.00 -1.24 -0.06 -0.65 0.01 0.00 0.00 175.26 173.33 3d5g s GLN 80 N -2.92 0.97 0.02 1.61 -0.21 -1.26 -1.14 119.66 116.72 3d5g s GLN 80 Ca 0.72 -0.15 0.06 0.00 0.02 0.00 0.00 55.36 56.01 3d5g s GLN 80 Cb -0.41 -0.93 -0.02 0.00 1.00 0.00 0.00 33.01 32.65 3d5g s GLN 80 CO 0.49 -0.06 -0.19 0.71 -2.12 0.00 0.00 175.29 174.12 3d5g s TYR 81 N 0.88 1.65 -0.14 0.91 1.51 0.37 -0.92 117.35 121.60 3d5g s TYR 81 Ca -0.12 -0.34 -0.05 0.00 -1.01 0.00 0.00 57.07 55.55 3d5g s TYR 81 Cb -0.15 -1.01 -0.04 0.00 -0.11 0.00 0.00 41.96 40.65 3d5g s TYR 81 CO 0.01 0.04 0.06 -0.46 -1.11 0.00 0.00 175.55 174.08 3d5g s TRP 82 N -0.66 3.29 -0.16 2.71 -0.00 0.13 -1.80 118.94 122.45 3d5g s TRP 82 Ca 0.06 0.19 -0.05 0.00 -0.00 0.00 0.00 56.10 56.30 3d5g s TRP 82 Cb -0.08 -1.96 0.06 0.00 -0.00 0.00 0.00 33.47 31.49 3d5g s TRP 82 CO 0.01 0.36 0.09 0.45 -0.00 0.00 0.00 176.95 177.86 3d5g s SER 83 N -0.30 2.28 0.00 5.86 0.15 -0.48 -0.72 113.70 120.49 3d5g s SER 83 Ca 0.08 -0.58 0.29 0.00 0.70 0.00 0.00 55.95 56.45 3d5g s SER 83 Cb -0.12 -0.24 1.41 0.00 -1.71 0.00 0.00 66.02 65.36 3d5g s SER 83 CO 0.02 -0.34 2.00 -0.81 1.20 0.00 0.00 173.24 175.30 3d5g n PRO 84 N 5.28 0.28 -2.61 5.44 -0.04 -1.26 -0.03 135.00 142.06 3d5g n PRO 84 Ca -0.07 0.01 -0.05 0.00 -0.04 0.00 0.00 63.50 63.35 3d5g n PRO 84 Cb 0.49 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.49 3d5g n PRO 84 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3d5g n ASP 85 N -1.36 2.24 -3.93 3.54 5.68 -1.20 -3.70 116.55 117.82 3d5g n ASP 85 Ca 0.12 -2.39 -0.29 0.00 -0.50 0.00 0.00 54.79 51.73 3d5g n ASP 85 Cb 0.27 -0.45 -0.01 0.00 -1.14 0.00 0.00 41.12 39.79 3d5g n ASP 85 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 3d5g n HIS 86 N -0.59 -1.65 -1.00 2.11 -0.00 0.01 -2.02 115.22 112.07 3d5g n HIS 86 Ca 0.15 0.62 -0.00 0.00 -0.00 0.00 0.00 57.72 58.48 3d5g n HIS 86 Cb 0.85 -3.53 -0.00 0.00 -0.00 0.00 0.00 29.99 27.31 3d5g n HIS 86 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3d5g n TYR 87 N -4.42 0.00 -0.00 1.57 4.01 -1.26 -4.90 117.16 112.15 3d5g n TYR 87 Ca -0.25 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.36 3d5g n TYR 87 Cb 0.66 -0.18 -0.00 0.00 -0.31 0.00 0.00 39.34 39.51 3d5g n TYR 87 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3d5g h ALA 88 N 0.00 0.52 -3.08 -0.72 0.00 -1.81 -3.45 119.26 110.72 3d5g h ALA 88 Ca -0.00 -0.57 -0.21 0.00 0.00 0.00 0.00 54.91 54.13 3d5g h ALA 88 Cb 0.03 -0.06 -0.21 0.00 0.00 0.00 0.00 17.79 17.55 3d5g h ALA 88 CO 0.00 0.71 -0.71 0.95 0.00 0.00 0.00 179.25 180.20 3d5g s THR 89 N -3.83 0.24 0.03 0.00 -4.23 -1.26 -5.11 115.64 101.48 3d5g s THR 89 Ca -0.08 -0.92 0.07 0.00 -1.18 0.00 0.00 61.69 59.58 3d5g s THR 89 Cb 0.10 -0.36 -0.02 0.00 1.34 0.00 0.00 72.50 73.56 3d5g s THR 89 CO 0.87 -0.44 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.96 3d5g s PHE 90 N -1.36 1.70 0.07 3.99 0.40 -1.26 -4.24 117.98 117.28 3d5g s PHE 90 Ca -0.13 -0.36 0.08 0.00 -0.60 0.00 0.00 56.93 55.91 3d5g s PHE 90 Cb -0.10 -1.02 -0.03 0.00 0.51 0.00 0.00 43.02 42.38 3d5g s PHE 90 CO -0.01 0.06 -0.21 -0.65 0.70 0.00 0.00 175.22 175.12 3d5g s GLN 91 N -1.06 1.31 -0.13 0.44 -0.21 0.10 -4.33 119.66 115.79 3d5g s GLN 91 Ca 0.06 -1.05 -0.29 0.00 0.02 0.00 0.00 55.36 54.10 3d5g s GLN 91 Cb -0.08 -1.51 -0.01 0.00 1.00 0.00 0.00 33.01 32.41 3d5g s GLN 91 CO 0.01 0.37 1.00 -2.00 -2.12 0.00 0.00 175.29 172.55 3d5g s GLU 92 N -1.49 4.39 -0.17 2.91 2.12 0.70 0.22 118.70 127.37 3d5g s GLU 92 Ca 0.08 1.36 -0.29 0.00 0.36 0.00 0.00 54.97 56.48 3d5g s GLU 92 Cb -0.09 -3.56 -0.00 0.00 0.26 0.00 0.00 34.13 30.73 3d5g s GLU 92 CO 0.03 -0.37 0.99 0.42 -0.54 0.00 0.00 175.26 175.79 3d5g s ILE 93 N 2.22 4.75 -0.49 -3.70 1.01 -0.09 -0.84 121.20 124.05 3d5g s ILE 93 Ca 0.47 1.97 -0.23 0.00 0.00 0.00 0.00 60.65 62.85 3d5g s ILE 93 Cb -0.18 -4.28 0.03 0.00 0.01 0.00 0.00 42.46 38.05 3d5g s ILE 93 CO 0.15 -0.08 0.84 -0.62 0.00 0.00 0.00 174.94 175.24 3d5g s ASP 94 N 1.16 6.38 0.04 3.58 -1.08 0.34 -4.69 116.67 122.40 3d5g s ASP 94 Ca 0.45 -0.25 0.18 0.00 -0.52 0.00 0.00 52.55 52.40 3d5g s ASP 94 Cb -0.16 -2.40 0.74 0.00 -1.46 0.00 0.00 42.92 39.64 3d5g s ASP 94 CO 0.11 -1.04 1.56 -0.81 0.52 0.00 0.00 175.17 175.51 3d5g n PRO 95 N 6.99 0.03 0.05 4.34 -0.04 -1.26 -1.43 135.00 143.67 3d5g n PRO 95 Ca 0.02 0.24 0.13 0.00 -0.04 0.00 0.00 63.50 63.85 3d5g n PRO 95 Cb 0.48 -1.56 0.51 0.00 -0.04 0.00 0.00 33.50 32.89 3d5g n PRO 95 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3d5g n ARG 96 N -1.61 0.12 0.00 0.54 1.74 -1.26 -4.86 116.66 111.33 3d5g n ARG 96 Ca 0.04 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 3d5g n ARG 96 Cb 0.20 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 3d5g n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11