#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1py3 s LEU 5 N 0.00 2.91 0.79 0.00 1.43 -1.26 -5.09 118.68 117.46 1py3 s LEU 5 Ca 0.00 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.78 1py3 s LEU 5 Cb 0.00 -1.65 0.07 0.00 0.03 0.00 0.00 46.19 44.64 1py3 s LEU 5 CO 0.00 0.23 1.09 0.00 0.23 0.00 0.00 176.35 177.90 1py3 s ALA 6 N -0.01 2.15 -0.11 4.21 0.00 -1.26 -4.77 121.76 121.97 1py3 s ALA 6 Ca -0.02 0.13 -0.06 0.00 0.00 0.00 0.00 51.96 52.01 1py3 s ALA 6 Cb -0.14 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1py3 s ALA 6 CO 0.04 -1.82 0.10 0.34 0.00 0.00 0.00 175.76 174.41 1py3 s ASP 7 N -3.49 6.07 -0.01 0.00 2.15 -1.26 -0.20 116.67 119.92 1py3 s ASP 7 Ca 0.61 0.37 0.01 0.00 0.43 0.00 0.00 52.55 53.97 1py3 s ASP 7 Cb -0.17 -1.91 0.00 0.00 -0.30 0.00 0.00 42.92 40.55 1py3 s ASP 7 CO 0.56 0.39 -0.03 0.54 -0.17 0.00 0.00 175.17 176.47 1py3 s VAL 8 N -0.95 0.24 0.18 1.11 0.11 0.42 -4.90 120.40 116.61 1py3 s VAL 8 Ca 0.14 -0.09 -0.30 0.00 -2.93 0.00 0.00 61.98 58.80 1py3 s VAL 8 Cb -0.12 -0.23 -0.08 0.00 -1.53 0.00 0.00 36.38 34.43 1py3 s VAL 8 CO 0.03 0.08 1.17 0.00 -3.33 0.00 0.00 175.10 173.06 1py3 h ARG 10 N 5.23 0.48 0.00 0.00 1.12 -0.66 -0.90 114.38 119.64 1py3 h ARG 10 Ca -0.44 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.39 1py3 h ARG 10 Cb 1.21 -0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 31.06 1py3 h ARG 10 CO 0.74 0.32 -0.05 1.79 -3.11 0.00 0.00 179.97 179.66 1py3 h THR 11 N 0.50 0.33 0.00 0.20 1.35 -1.58 -2.50 112.91 111.22 1py3 h THR 11 Ca 0.50 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 1py3 h THR 11 Cb 0.84 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1py3 h THR 11 CO -0.44 0.04 -0.28 0.29 -0.25 0.00 0.00 175.52 174.88 1py3 n LYS 12 N -3.47 0.04 -1.46 4.72 4.76 -0.35 -4.92 118.16 117.49 1py3 n LYS 12 Ca -0.02 0.02 -0.33 0.00 -2.87 0.00 0.00 58.31 55.11 1py3 n LYS 12 Cb 0.16 -1.53 0.08 0.00 -1.84 0.00 0.00 35.03 31.90 1py3 n LYS 12 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1py3 s LEU 13 N -3.20 3.25 0.58 -0.35 1.43 -0.94 -4.97 118.68 114.48 1py3 s LEU 13 Ca 0.12 2.11 -0.19 0.00 -1.03 0.00 0.00 54.13 55.14 1py3 s LEU 13 Cb 0.17 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.77 1py3 s LEU 13 CO 0.63 -2.07 0.79 -2.65 0.23 0.00 0.00 176.35 173.28 1py3 n PRO 14 N -2.89 0.76 -0.32 1.29 -0.02 -1.26 -4.77 135.00 127.79 1py3 n PRO 14 Ca 0.11 0.29 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 1py3 n PRO 14 Cb 0.52 -1.97 0.35 0.00 -0.02 0.00 0.00 33.50 32.38 1py3 n PRO 14 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1py3 h SER 15 N 0.45 0.72 0.21 2.55 4.64 -1.96 -0.99 113.55 119.17 1py3 h SER 15 Ca -0.47 0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 60.80 1py3 h SER 15 Cb 1.38 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 1py3 h SER 15 CO 0.50 0.31 -0.46 1.56 -0.87 0.00 0.00 176.83 177.87 1py3 h GLN 16 N 0.73 0.31 -0.50 4.77 7.50 -1.89 -1.13 115.11 124.90 1py3 h GLN 16 Ca 0.52 -0.16 -0.08 0.00 0.50 0.00 0.00 58.65 59.43 1py3 h GLN 16 Cb 0.85 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.36 1py3 h GLN 16 CO -0.29 0.71 -0.01 0.00 -1.50 0.00 0.00 178.83 177.73 1py3 h ALA 17 N 1.27 0.68 -0.80 3.87 0.00 -1.53 -2.16 119.26 120.58 1py3 h ALA 17 Ca 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1py3 h ALA 17 Cb 0.91 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1py3 h ALA 17 CO 0.07 0.50 0.35 1.96 0.00 0.00 0.00 179.25 182.13 1py3 h GLN 18 N 0.75 1.17 -0.72 0.00 4.20 -1.04 -1.24 115.11 118.24 1py3 h GLN 18 Ca 0.14 -0.19 0.01 0.00 0.06 0.00 0.00 58.65 58.67 1py3 h GLN 18 Cb 0.54 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 1py3 h GLN 18 CO 0.03 0.93 0.47 -0.44 -0.67 0.00 0.00 178.83 179.14 1py3 h ASP 19 N 1.15 0.80 -0.55 1.46 3.32 -1.07 -1.47 116.42 120.05 1py3 h ASP 19 Ca 0.27 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 1py3 h ASP 19 Cb 0.17 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1py3 h ASP 19 CO -0.03 0.57 0.16 0.74 -1.72 0.00 0.00 179.24 178.96 1py3 h THR 20 N 0.94 1.24 -0.85 0.35 2.02 -0.69 -1.60 112.91 114.33 1py3 h THR 20 Ca 0.27 -0.83 0.03 0.00 0.77 0.00 0.00 66.41 66.65 1py3 h THR 20 Cb -0.07 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.02 1py3 h THR 20 CO -0.07 0.31 0.55 -0.07 0.37 0.00 0.00 175.52 176.60 1py3 h LEU 21 N 0.78 0.92 -0.90 2.58 3.38 -0.71 -0.85 115.31 120.51 1py3 h LEU 21 Ca 0.18 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1py3 h LEU 21 Cb 0.31 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1py3 h LEU 21 CO -0.00 0.64 0.51 0.00 0.09 0.00 0.00 178.44 179.68 1py3 h ALA 22 N 1.34 1.15 -0.36 1.53 0.00 -1.02 -1.99 119.26 119.92 1py3 h ALA 22 Ca 0.33 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1py3 h ALA 22 Cb -0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1py3 h ALA 22 CO -0.10 0.64 -0.37 -0.07 0.00 0.00 0.00 179.25 179.34 1py3 h LEU 23 N 1.25 0.89 -0.51 0.00 3.38 -0.78 -1.88 115.31 117.67 1py3 h LEU 23 Ca 0.32 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1py3 h LEU 23 Cb -0.00 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1py3 h LEU 23 CO -0.05 1.16 0.30 0.40 0.09 0.00 0.00 178.44 180.34 1py3 h ILE 24 N 0.69 1.06 0.00 1.22 2.04 -1.05 -0.03 117.51 121.44 1py3 h ILE 24 Ca 0.06 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 1py3 h ILE 24 Cb 0.94 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1py3 h ILE 24 CO 0.09 0.11 -0.16 0.00 0.00 0.00 0.00 178.15 178.19 1py3 h ALA 25 N 1.22 1.63 -0.00 1.87 0.00 -1.05 -1.94 119.26 120.98 1py3 h ALA 25 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1py3 h ALA 25 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1py3 h ALA 25 CO -0.09 0.19 -0.26 1.63 0.00 0.00 0.00 179.25 180.73 1py3 n LYS 26 N -4.18 0.50 -3.55 0.00 5.02 -0.73 -4.96 118.16 110.25 1py3 n LYS 26 Ca -0.02 -0.24 -0.22 0.00 -2.02 0.00 0.00 58.31 55.80 1py3 n LYS 26 Cb 0.23 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 33.82 1py3 n LYS 26 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1py3 n ASN 27 N -1.04 -5.59 0.00 4.39 4.13 -0.39 -4.80 115.26 111.95 1py3 n ASN 27 Ca 0.11 -0.54 0.00 0.00 1.68 0.00 0.00 54.58 55.82 1py3 n ASN 27 Cb 0.32 -4.98 0.00 0.00 -1.54 0.00 0.00 39.78 33.58 1py3 n ASN 27 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1py3 n GLY 28 N -1.85 -1.33 3.76 7.41 0.00 -0.16 -4.82 105.19 108.19 1py3 n GLY 28 Ca -0.04 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.11 1py3 n GLY 28 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1py3 s PRO 29 N 0.00 3.43 0.06 1.61 0.02 -1.26 -4.99 135.00 133.86 1py3 s PRO 29 Ca 0.00 2.11 -0.01 0.00 0.02 0.00 0.00 61.00 63.12 1py3 s PRO 29 Cb 0.00 -2.37 -0.04 0.00 0.02 0.00 0.00 34.50 32.11 1py3 s PRO 29 CO 0.00 -0.92 0.22 0.71 -0.33 0.00 0.00 177.00 176.68 1py3 s TYR 30 N -1.36 3.52 -0.23 6.54 1.51 -1.26 -5.02 117.35 121.04 1py3 s TYR 30 Ca 0.67 0.28 0.28 0.00 -1.01 0.00 0.00 57.07 57.29 1py3 s TYR 30 Cb -0.37 -1.78 0.96 0.00 -0.11 0.00 0.00 41.96 40.66 1py3 s TYR 30 CO 0.45 0.59 1.81 -1.00 -1.11 0.00 0.00 175.55 176.29 1py3 h PRO 31 N 3.14 0.00 -6.29 -1.71 0.13 -1.99 -3.45 132.00 121.82 1py3 h PRO 31 Ca -0.45 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.06 1py3 h PRO 31 Cb 1.16 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.03 1py3 h PRO 31 CO 0.75 0.00 -0.85 0.71 -0.23 0.00 0.00 178.00 178.38 1py3 s TYR 32 N -3.42 1.97 0.42 1.56 2.02 -1.26 -5.02 117.35 113.61 1py3 s TYR 32 Ca 0.04 -0.39 0.19 0.00 -0.37 0.00 0.00 57.07 56.55 1py3 s TYR 32 Cb 0.08 -1.17 1.15 0.00 -0.40 0.00 0.00 41.96 41.62 1py3 s TYR 32 CO 0.56 0.11 2.00 -0.91 -1.57 0.00 0.00 175.55 175.74 1py3 h ASN 33 N 4.82 0.00 -0.04 2.29 -0.26 -2.05 -2.18 115.58 118.15 1py3 h ASN 33 Ca -0.44 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.30 1py3 h ASN 33 Cb 1.15 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.41 1py3 h ASN 33 CO 0.44 0.18 0.00 0.54 -1.06 0.00 0.00 177.43 177.53 1py3 n ARG 34 N -4.02 1.59 -1.92 0.81 1.74 -1.26 -4.85 116.66 108.76 1py3 n ARG 34 Ca -0.02 -0.87 -0.42 0.00 -0.77 0.00 0.00 57.85 55.77 1py3 n ARG 34 Cb 0.26 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.22 1py3 n ARG 34 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1py3 s ASP 35 N -1.90 6.61 0.00 0.55 -0.00 -0.82 -2.64 116.67 118.46 1py3 s ASP 35 Ca 0.38 2.41 0.00 0.00 -0.00 0.00 0.00 52.55 55.34 1py3 s ASP 35 Cb 0.20 -2.55 0.00 0.00 -0.00 0.00 0.00 42.92 40.57 1py3 s ASP 35 CO 0.32 -0.93 0.00 0.61 -0.00 0.00 0.00 175.17 175.17 1py3 n GLY 36 N 4.13 0.76 3.79 0.21 0.00 0.86 -5.02 105.19 109.93 1py3 n GLY 36 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1py3 n GLY 36 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1py3 s VAL 37 N -2.25 3.71 0.40 1.61 -7.23 -1.08 -4.69 120.40 110.86 1py3 s VAL 37 Ca 0.00 1.07 -0.27 0.00 -1.81 0.00 0.00 61.98 60.96 1py3 s VAL 37 Cb 0.00 -3.43 -0.10 0.00 0.56 0.00 0.00 36.38 33.41 1py3 s VAL 37 CO 0.00 -0.23 1.46 -0.69 -0.31 0.00 0.00 175.10 175.33 1py3 s VAL 38 N -1.95 2.09 -0.26 1.32 1.01 -1.26 -0.86 120.40 120.48 1py3 s VAL 38 Ca 0.68 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.70 1py3 s VAL 38 Cb -0.17 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1py3 s VAL 38 CO 0.21 0.02 0.01 0.12 0.00 0.00 0.00 175.10 175.46 1py3 s PHE 39 N -1.15 3.06 -1.19 5.22 2.19 -0.01 -4.73 117.98 121.37 1py3 s PHE 39 Ca 0.55 -1.02 0.30 0.00 0.33 0.00 0.00 56.93 57.09 1py3 s PHE 39 Cb -0.45 -2.17 1.37 0.00 -1.31 0.00 0.00 43.02 40.46 1py3 s PHE 39 CO 0.60 -0.57 1.99 0.39 1.83 0.00 0.00 175.22 179.46 1py3 n GLU 40 N 4.81 0.19 -3.61 10.12 1.02 -1.26 -4.28 120.64 127.63 1py3 n GLU 40 Ca -0.16 -0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.76 1py3 n GLU 40 Cb 0.49 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.47 1py3 n GLU 40 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1py3 n ASN 41 N -1.40 -3.09 0.25 1.62 5.15 -1.26 -4.86 115.26 111.66 1py3 n ASN 41 Ca 0.10 -0.68 0.13 0.00 -0.60 0.00 0.00 54.58 53.53 1py3 n ASN 41 Cb 0.30 -4.62 0.53 0.00 -0.53 0.00 0.00 39.78 35.46 1py3 n ASN 41 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1py3 h ARG 42 N -2.09 0.00 -0.16 1.20 3.08 -1.99 -1.86 114.38 112.55 1py3 h ARG 42 Ca -0.59 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.46 1py3 h ARG 42 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 1py3 h ARG 42 CO 0.56 0.11 0.00 0.39 -1.07 0.00 0.00 179.97 179.96 1py3 n GLU 43 N -3.24 1.86 -2.56 0.04 1.02 -1.26 -4.95 120.64 111.54 1py3 n GLU 43 Ca 0.01 -1.28 -0.21 0.00 -0.02 0.00 0.00 57.16 55.66 1py3 n GLU 43 Cb 0.39 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 1py3 n GLU 43 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1py3 n SER 44 N 0.51 -5.75 0.10 1.62 7.64 -0.70 -4.90 113.62 112.14 1py3 n SER 44 Ca 0.17 -0.07 -0.04 0.00 1.01 0.00 0.00 58.87 59.94 1py3 n SER 44 Cb 0.39 -4.76 0.10 0.00 -1.01 0.00 0.00 64.21 58.93 1py3 n SER 44 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1py3 h ARG 45 N -0.33 0.12 -6.54 1.43 3.08 -1.93 -3.44 114.38 106.77 1py3 h ARG 45 Ca -0.49 -0.10 -0.45 0.00 0.07 0.00 0.00 59.98 59.01 1py3 h ARG 45 Cb 1.35 0.02 0.02 0.00 0.08 0.00 0.00 29.97 31.44 1py3 h ARG 45 CO 0.56 0.76 -0.20 -0.51 -1.07 0.00 0.00 179.97 179.52 1py3 s LEU 46 N -7.63 3.79 0.26 3.04 1.43 -1.26 -4.99 118.68 113.32 1py3 s LEU 46 Ca -0.02 0.10 -0.31 0.00 -1.03 0.00 0.00 54.13 52.88 1py3 s LEU 46 Cb 0.12 -3.00 -0.13 0.00 0.03 0.00 0.00 46.19 43.21 1py3 s LEU 46 CO 0.79 -0.58 1.40 -2.65 0.23 0.00 0.00 176.35 175.54 1py3 n PRO 47 N -1.89 2.10 -2.38 1.29 -0.02 -1.26 -4.90 135.00 127.94 1py3 n PRO 47 Ca 0.00 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 1py3 n PRO 47 Cb 0.58 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 1py3 n PRO 47 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1py3 s LYS 48 N -0.68 4.41 0.31 -0.52 1.02 -1.26 -4.99 119.74 118.03 1py3 s LYS 48 Ca 0.65 1.82 0.04 0.00 0.02 0.00 0.00 55.97 58.51 1py3 s LYS 48 Cb -0.62 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.32 1py3 s LYS 48 CO 0.52 -0.30 0.28 0.15 -0.92 0.00 0.00 175.35 175.08 1py3 s LYS 49 N 1.13 1.68 1.02 1.68 -0.14 -1.26 -5.17 119.74 118.67 1py3 s LYS 49 Ca 0.60 -1.90 -0.16 0.00 -1.36 0.00 0.00 55.97 53.14 1py3 s LYS 49 Cb -0.31 0.33 0.21 0.00 -1.68 0.00 0.00 37.83 36.39 1py3 s LYS 49 CO 0.29 -0.62 1.25 0.20 -0.76 0.00 0.00 175.35 175.71 1py3 s GLY 50 N -3.31 1.71 0.40 -3.33 0.00 -1.26 -4.95 107.32 96.57 1py3 s GLY 50 Ca 0.39 -1.07 -0.26 0.00 0.00 0.00 0.00 44.72 43.78 1py3 s GLY 50 CO 0.24 -0.29 1.27 0.54 0.00 0.00 0.00 173.10 174.85 1py3 s ASN 51 N -4.56 6.42 -0.10 1.64 2.20 -1.26 -2.75 114.94 116.53 1py3 s ASN 51 Ca 0.72 2.58 0.00 0.00 -0.94 0.00 0.00 52.86 55.22 1py3 s ASN 51 Cb -0.06 -2.63 0.00 0.00 -2.00 0.00 0.00 41.25 36.55 1py3 s ASN 51 CO 0.54 -0.77 0.00 0.61 -2.94 0.00 0.00 177.10 174.54 1py3 n GLY 52 N 0.69 0.40 0.23 0.45 0.00 -1.26 -4.92 105.19 100.78 1py3 n GLY 52 Ca 0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 1py3 n GLY 52 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1py3 h TYR 53 N 0.00 0.69 -3.64 1.61 3.20 -1.83 -3.45 116.97 113.54 1py3 h TYR 53 Ca -0.02 -0.19 -0.67 0.00 3.14 0.00 0.00 58.73 60.99 1py3 h TYR 53 Cb 0.39 -0.15 -0.17 0.00 1.54 0.00 0.00 36.73 38.33 1py3 h TYR 53 CO 0.23 0.87 -0.72 0.71 -1.64 0.00 0.00 178.16 177.62 1py3 s TYR 54 N -4.31 2.83 0.08 -3.82 1.51 -1.26 -1.72 117.35 110.66 1py3 s TYR 54 Ca -0.08 -0.08 0.04 0.00 -1.01 0.00 0.00 57.07 55.94 1py3 s TYR 54 Cb 0.12 -1.57 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 1py3 s TYR 54 CO 0.82 0.37 -0.11 -1.01 -1.11 0.00 0.00 175.55 174.51 1py3 s HIS 55 N -1.03 1.02 0.08 2.71 3.76 -0.72 -0.83 115.29 120.29 1py3 s HIS 55 Ca 0.18 -0.56 0.07 0.00 -0.15 0.00 0.00 55.06 54.60 1py3 s HIS 55 Cb -0.11 -0.57 -0.04 0.00 1.11 0.00 0.00 32.58 32.97 1py3 s HIS 55 CO 0.08 -0.00 -0.12 -1.83 -0.85 0.00 0.00 174.74 172.02 1py3 s GLU 56 N -2.18 2.11 -0.01 1.40 -1.05 -0.04 -1.05 118.70 117.89 1py3 s GLU 56 Ca -0.01 -1.01 0.01 0.00 -0.15 0.00 0.00 54.97 53.82 1py3 s GLU 56 Cb -0.07 -2.28 0.01 0.00 -0.44 0.00 0.00 34.13 31.35 1py3 s GLU 56 CO 0.01 0.52 -0.03 -0.06 0.95 0.00 0.00 175.26 176.65 1py3 s PHE 57 N -1.13 0.32 0.24 4.83 0.08 0.26 -0.10 117.98 122.49 1py3 s PHE 57 Ca 0.19 -0.05 -0.30 0.00 0.12 0.00 0.00 56.93 56.90 1py3 s PHE 57 Cb -0.11 -0.26 -0.09 0.00 -0.57 0.00 0.00 43.02 41.99 1py3 s PHE 57 CO 0.11 -0.04 1.09 0.99 -0.10 0.00 0.00 175.22 177.27 1py3 s THR 58 N 0.22 3.65 -0.28 0.64 2.01 -1.26 -0.42 115.64 120.20 1py3 s THR 58 Ca -0.02 1.58 -0.09 0.00 0.31 0.00 0.00 61.69 63.47 1py3 s THR 58 Cb -0.05 -4.00 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 1py3 s THR 58 CO -0.01 0.34 0.12 -0.69 -0.69 0.00 0.00 174.62 173.70 1py3 s VAL 59 N -0.87 4.51 0.26 3.82 1.01 -0.55 -4.82 120.40 123.76 1py3 s VAL 59 Ca 0.46 -0.29 -0.31 0.00 0.00 0.00 0.00 61.98 61.84 1py3 s VAL 59 Cb -0.31 -3.21 -0.13 0.00 0.00 0.00 0.00 36.38 32.73 1py3 s VAL 59 CO 0.38 0.19 1.39 0.52 0.00 0.00 0.00 175.10 177.58 1py3 n VAL 60 N 4.96 1.15 -4.03 2.92 0.31 -1.26 -4.48 118.33 117.90 1py3 n VAL 60 Ca -0.15 -0.29 -0.34 0.00 -0.01 0.00 0.00 64.34 63.56 1py3 n VAL 60 Cb 0.50 -1.50 -0.15 0.00 -0.91 0.00 0.00 33.84 31.79 1py3 n VAL 60 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1py3 s THR 61 N -0.25 2.51 0.03 2.52 2.01 -1.26 -4.86 115.64 116.34 1py3 s THR 61 Ca 0.66 -1.10 -0.27 0.00 0.31 0.00 0.00 61.69 61.29 1py3 s THR 61 Cb -0.63 -2.24 -0.17 0.00 0.01 0.00 0.00 72.50 69.47 1py3 s THR 61 CO 0.52 0.27 1.33 -0.65 -0.69 0.00 0.00 174.62 175.40 1py3 h PRO 62 N 7.95 -0.58 -0.26 4.92 0.11 -1.96 -3.24 132.00 138.93 1py3 h PRO 62 Ca -0.34 0.04 0.09 0.00 0.11 0.00 0.00 66.00 65.89 1py3 h PRO 62 Cb 1.11 0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1py3 h PRO 62 CO 0.57 -0.29 0.17 0.41 -0.21 0.00 0.00 178.00 178.65 1py3 n GLY 63 N -0.69 -0.16 4.01 -0.55 0.00 -1.26 -4.46 105.19 102.08 1py3 n GLY 63 Ca -0.11 0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1py3 n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1py3 s SER 64 N -4.54 4.99 -0.11 1.61 0.01 -1.22 -5.05 113.70 109.39 1py3 s SER 64 Ca -0.01 -0.46 0.07 0.00 1.31 0.00 0.00 55.95 56.86 1py3 s SER 64 Cb 0.06 -0.19 -0.12 0.00 0.21 0.00 0.00 66.02 65.98 1py3 s SER 64 CO 0.15 -1.37 0.01 -0.46 0.41 0.00 0.00 173.24 171.98 1py3 n ASN 65 N -2.38 2.60 -2.64 2.44 0.23 -1.26 -5.02 115.26 109.22 1py3 n ASN 65 Ca 0.13 -0.01 -0.07 0.00 -0.53 0.00 0.00 54.58 54.10 1py3 n ASN 65 Cb 0.60 0.57 0.05 0.00 -2.08 0.00 0.00 39.78 38.93 1py3 n ASN 65 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1py3 n ASP 66 N -2.47 -0.85 0.18 0.53 5.68 -1.26 -4.96 116.55 113.41 1py3 n ASP 66 Ca -0.18 -0.80 0.04 0.00 -0.50 0.00 0.00 54.79 53.36 1py3 n ASP 66 Cb 0.81 -0.23 0.46 0.00 -1.14 0.00 0.00 41.12 41.02 1py3 n ASP 66 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1py3 h ARG 67 N 0.00 0.10 0.00 0.11 3.08 -1.97 -3.47 114.38 112.24 1py3 h ARG 67 Ca -0.10 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1py3 h ARG 67 Cb 0.28 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1py3 h ARG 67 CO 0.06 0.26 0.00 0.41 -1.07 0.00 0.00 179.97 179.63 1py3 n GLY 68 N -0.96 -1.79 0.14 0.04 0.00 -1.26 -4.44 105.19 96.92 1py3 n GLY 68 Ca -0.02 -1.60 0.02 0.00 0.00 0.00 0.00 46.02 44.42 1py3 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1py3 n THR 69 N 0.00 0.00 -3.41 2.61 -2.24 -1.26 -4.98 114.28 104.99 1py3 n THR 69 Ca 0.00 -0.50 -0.37 0.00 -2.27 0.00 0.00 64.05 60.91 1py3 n THR 69 Cb 0.00 1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 69.24 1py3 n THR 69 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1py3 s ARG 70 N -0.33 4.30 0.03 -0.78 0.52 -1.25 -0.73 118.95 120.71 1py3 s ARG 70 Ca 0.04 0.30 -0.00 0.00 -0.52 0.00 0.00 55.73 55.54 1py3 s ARG 70 Cb 0.03 -3.43 -0.02 0.00 0.52 0.00 0.00 34.95 32.04 1py3 s ARG 70 CO 0.05 0.19 -0.03 1.03 0.02 0.00 0.00 175.30 176.57 1py3 s ARG 71 N 0.55 0.39 -0.08 3.54 1.81 0.16 -1.49 118.95 123.84 1py3 s ARG 71 Ca 0.22 -0.77 0.02 0.00 -1.72 0.00 0.00 55.73 53.48 1py3 s ARG 71 Cb -0.14 0.14 -0.02 0.00 -0.45 0.00 0.00 34.95 34.48 1py3 s ARG 71 CO 0.07 -0.07 -0.14 0.08 -0.68 0.00 0.00 175.30 174.57 1py3 s VAL 72 N -2.12 3.06 -0.13 3.52 1.01 0.44 -1.74 120.40 124.45 1py3 s VAL 72 Ca -0.10 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 1py3 s VAL 72 Cb -0.05 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 1py3 s VAL 72 CO -0.03 0.57 -0.13 -0.69 0.00 0.00 0.00 175.10 174.81 1py3 s VAL 73 N -0.38 3.03 0.10 2.92 1.01 -0.46 -0.57 120.40 126.04 1py3 s VAL 73 Ca 0.04 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.41 1py3 s VAL 73 Cb -0.12 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1py3 s VAL 73 CO 0.02 0.52 -0.03 0.42 0.00 0.00 0.00 175.10 176.04 1py3 s THR 74 N 0.35 3.83 0.47 3.92 -4.23 -0.21 -0.41 115.64 119.36 1py3 s THR 74 Ca -0.11 -1.09 0.08 0.00 -1.18 0.00 0.00 61.69 59.39 1py3 s THR 74 Cb -0.16 -2.83 0.02 0.00 1.34 0.00 0.00 72.50 70.87 1py3 s THR 74 CO 0.06 0.10 0.55 -0.83 -0.54 0.00 0.00 174.62 173.95 1py3 s GLY 75 N -2.33 2.00 0.46 3.99 0.00 -0.04 -1.76 107.32 109.65 1py3 s GLY 75 Ca 0.25 -1.80 0.31 0.00 0.00 0.00 0.00 44.72 43.48 1py3 s GLY 75 CO 0.17 -1.64 1.94 -1.33 0.00 0.00 0.00 173.10 172.24 1py3 h GLY 76 N 0.66 0.00 -1.26 0.20 0.00 -1.66 -1.95 103.07 99.06 1py3 h GLY 76 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1py3 h GLY 76 CO 0.49 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 175.31 1py3 n TYR 77 N -2.74 0.74 -0.67 5.60 4.01 -1.26 -4.97 117.16 117.87 1py3 n TYR 77 Ca 0.00 -0.90 0.00 0.00 -0.16 0.00 0.00 57.90 56.84 1py3 n TYR 77 Cb 0.20 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 38.95 1py3 n TYR 77 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1py3 n GLY 78 N -0.69 0.61 3.77 2.72 0.00 -0.73 -5.07 105.19 105.79 1py3 n GLY 78 Ca 0.20 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 1py3 n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1py3 s GLU 79 N -1.06 3.86 -0.04 1.61 8.01 -1.25 -4.80 118.70 125.03 1py3 s GLU 79 Ca 0.00 2.28 0.04 0.00 0.01 0.00 0.00 54.97 57.30 1py3 s GLU 79 Cb 0.00 -2.73 -0.00 0.00 -4.31 0.00 0.00 34.13 27.09 1py3 s GLU 79 CO 0.00 -0.62 -0.15 -0.65 0.01 0.00 0.00 175.26 173.85 1py3 s GLN 80 N -2.31 1.57 0.03 1.61 -0.21 -1.26 -0.86 119.66 118.23 1py3 s GLN 80 Ca 0.58 -0.52 0.05 0.00 0.02 0.00 0.00 55.36 55.49 1py3 s GLN 80 Cb -0.41 -1.38 -0.02 0.00 1.00 0.00 0.00 33.01 32.21 1py3 s GLN 80 CO 0.53 0.20 -0.15 0.71 -2.12 0.00 0.00 175.29 174.45 1py3 s TYR 81 N 0.11 1.34 -0.15 0.91 1.51 0.45 -1.44 117.35 120.07 1py3 s TYR 81 Ca -0.04 -0.34 -0.06 0.00 -1.01 0.00 0.00 57.07 55.63 1py3 s TYR 81 Cb -0.11 -0.80 -0.04 0.00 -0.11 0.00 0.00 41.96 40.90 1py3 s TYR 81 CO 0.02 0.04 0.03 -0.46 -1.11 0.00 0.00 175.55 174.07 1py3 s TRP 82 N -0.76 3.21 -0.14 2.71 -0.00 -0.02 -1.36 118.94 122.58 1py3 s TRP 82 Ca 0.03 0.05 -0.02 0.00 -0.00 0.00 0.00 56.10 56.16 1py3 s TRP 82 Cb -0.08 -1.99 0.04 0.00 -0.00 0.00 0.00 33.47 31.45 1py3 s TRP 82 CO 0.01 0.21 0.00 0.45 -0.00 0.00 0.00 176.95 177.63 1py3 s SER 83 N 0.03 2.34 0.00 5.86 0.15 -0.71 -0.73 113.70 120.65 1py3 s SER 83 Ca 0.04 -0.48 0.29 0.00 0.70 0.00 0.00 55.95 56.50 1py3 s SER 83 Cb -0.12 -0.60 1.18 0.00 -1.71 0.00 0.00 66.02 64.76 1py3 s SER 83 CO 0.01 -0.23 1.89 -0.81 1.20 0.00 0.00 173.24 175.30 1py3 n PRO 84 N 5.05 0.01 -2.62 5.44 -0.04 -1.26 -0.66 135.00 140.91 1py3 n PRO 84 Ca -0.09 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.31 1py3 n PRO 84 Cb 0.48 -1.51 0.04 0.00 -0.04 0.00 0.00 33.50 32.48 1py3 n PRO 84 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1py3 n ASP 85 N -1.52 2.47 -3.62 3.54 5.68 -1.21 -3.90 116.55 117.99 1py3 n ASP 85 Ca 0.07 -2.49 -0.21 0.00 -0.50 0.00 0.00 54.79 51.66 1py3 n ASP 85 Cb 0.34 -0.44 0.05 0.00 -1.14 0.00 0.00 41.12 39.93 1py3 n ASP 85 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1py3 n HIS 86 N -0.63 -2.12 -0.99 2.11 -0.00 0.09 -3.02 115.22 110.66 1py3 n HIS 86 Ca 0.17 0.89 0.00 0.00 -0.00 0.00 0.00 57.72 58.78 1py3 n HIS 86 Cb 0.84 -4.64 0.00 0.00 -0.00 0.00 0.00 29.99 26.19 1py3 n HIS 86 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1py3 n TYR 87 N -4.32 0.00 0.09 1.57 4.01 -1.26 -4.90 117.16 112.34 1py3 n TYR 87 Ca -0.24 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.36 1py3 n TYR 87 Cb 0.65 -0.06 -0.08 0.00 -0.31 0.00 0.00 39.34 39.54 1py3 n TYR 87 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1py3 h ALA 88 N 0.00 0.26 -3.96 -0.72 0.00 -1.95 -3.45 119.26 109.44 1py3 h ALA 88 Ca 0.00 -0.80 -0.51 0.00 0.00 0.00 0.00 54.91 53.60 1py3 h ALA 88 Cb 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 17.79 17.46 1py3 h ALA 88 CO 0.00 0.92 -0.82 0.99 0.00 0.00 0.00 179.25 180.34 1py3 s THR 89 N -2.96 1.21 0.04 0.00 2.01 -1.26 -5.11 115.64 109.57 1py3 s THR 89 Ca -0.04 -0.61 0.07 0.00 0.31 0.00 0.00 61.69 61.42 1py3 s THR 89 Cb 0.08 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 1py3 s THR 89 CO 0.87 0.35 -0.20 -0.36 -0.69 0.00 0.00 174.62 174.59 1py3 s PHE 90 N -0.02 1.74 0.03 4.92 0.40 -1.26 -4.24 117.98 119.56 1py3 s PHE 90 Ca -0.01 -0.37 0.08 0.00 -0.60 0.00 0.00 56.93 56.02 1py3 s PHE 90 Cb -0.09 -1.04 -0.02 0.00 0.51 0.00 0.00 43.02 42.37 1py3 s PHE 90 CO 0.01 0.08 -0.22 -0.65 0.70 0.00 0.00 175.22 175.14 1py3 s GLN 91 N -1.15 1.53 0.15 0.44 -0.21 0.09 -4.41 119.66 116.10 1py3 s GLN 91 Ca 0.07 -0.94 -0.30 0.00 0.02 0.00 0.00 55.36 54.21 1py3 s GLN 91 Cb -0.09 -1.63 -0.07 0.00 1.00 0.00 0.00 33.01 32.23 1py3 s GLN 91 CO 0.02 0.42 1.18 -1.21 -2.12 0.00 0.00 175.29 173.57 1py3 s GLU 92 N -1.05 4.50 -0.16 2.91 2.02 0.72 -0.84 118.70 126.79 1py3 s GLU 92 Ca 0.08 1.81 -0.15 0.00 0.02 0.00 0.00 54.97 56.73 1py3 s GLU 92 Cb -0.09 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 1py3 s GLU 92 CO 0.01 -0.10 0.34 0.42 0.02 0.00 0.00 175.26 175.95 1py3 s ILE 93 N 0.24 5.27 -0.45 -1.63 1.01 -0.52 -0.44 121.20 124.69 1py3 s ILE 93 Ca 0.54 0.64 -0.16 0.00 0.00 0.00 0.00 60.65 61.67 1py3 s ILE 93 Cb -0.31 -3.68 0.05 0.00 0.01 0.00 0.00 42.46 38.53 1py3 s ILE 93 CO 0.34 0.35 0.38 -0.62 0.00 0.00 0.00 174.94 175.39 1py3 s ASP 94 N 0.61 6.14 0.31 3.58 -1.08 0.28 -4.63 116.67 121.88 1py3 s ASP 94 Ca 0.18 -1.06 0.26 0.00 -0.52 0.00 0.00 52.55 51.41 1py3 s ASP 94 Cb -0.14 -2.19 0.95 0.00 -1.46 0.00 0.00 42.92 40.08 1py3 s ASP 94 CO 0.06 -0.58 1.77 1.55 0.52 0.00 0.00 175.17 178.48 1py3 h PRO 95 N 8.72 0.00 -0.99 4.34 0.13 -1.96 -1.74 132.00 140.50 1py3 h PRO 95 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 1py3 h PRO 95 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1py3 h PRO 95 CO 0.82 0.00 0.01 0.54 -0.23 0.00 0.00 178.00 179.14 1py3 n ARG 96 N -2.47 1.12 0.00 0.86 5.12 -1.26 -4.83 116.66 115.20 1py3 n ARG 96 Ca 0.03 -0.12 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 1py3 n ARG 96 Cb 0.32 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.24 1py3 n ARG 96 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70