#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l6t n GLU 2 N 0.00 0.07 -1.78 0.03 1.02 -1.26 -4.76 120.64 113.95 1l6t n GLU 2 Ca 0.00 -0.69 -0.01 0.00 -0.02 0.00 0.00 57.16 56.44 1l6t n GLU 2 Cb 0.00 -0.52 -0.00 0.00 -0.02 0.00 0.00 31.44 30.90 1l6t n GLU 2 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1l6t n ASN 3 N -0.02 -0.27 0.00 1.62 2.85 -1.26 -4.99 115.26 113.18 1l6t n ASN 3 Ca 0.00 -1.16 0.00 0.00 -0.11 0.00 0.00 54.58 53.31 1l6t n ASN 3 Cb 0.56 0.23 0.00 0.00 1.24 0.00 0.00 39.78 41.81 1l6t n ASN 3 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1l6t n LEU 4 N -0.17 0.00 -0.13 1.20 7.94 -1.26 -4.78 117.00 119.81 1l6t n LEU 4 Ca -0.07 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.74 1l6t n LEU 4 Cb 0.54 0.21 0.06 0.00 0.53 0.00 0.00 43.42 44.76 1l6t n LEU 4 CO -0.03 -0.21 0.72 -1.13 -1.11 0.00 0.00 177.39 175.63 1l6t h ASN 5 N 0.00 0.90 0.96 1.96 -1.24 -1.94 0.02 115.58 116.24 1l6t h ASN 5 Ca 0.00 -0.31 0.00 0.00 0.71 0.00 0.00 56.30 56.70 1l6t h ASN 5 Cb 0.00 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 38.80 1l6t h ASN 5 CO 0.00 1.06 -0.82 0.00 -1.29 0.00 0.00 177.43 176.38 1l6t h MET 6 N 0.78 0.00 0.08 6.67 -0.00 -1.91 -3.20 114.93 117.35 1l6t h MET 6 Ca 0.11 0.00 -0.25 0.00 -0.00 0.00 0.00 59.70 59.56 1l6t h MET 6 Cb 0.72 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 32.34 1l6t h MET 6 CO 0.06 0.00 -1.02 -0.44 -0.00 0.00 0.00 176.91 175.51 1l6t h ASP 7 N 0.00 0.76 0.71 -0.10 5.19 -1.81 -2.39 116.42 118.79 1l6t h ASP 7 Ca 0.00 -0.82 -0.03 0.00 -0.62 0.00 0.00 57.03 55.56 1l6t h ASP 7 Cb 0.89 -0.24 0.01 0.00 0.18 0.00 0.00 39.33 40.17 1l6t h ASP 7 CO 0.00 1.49 -0.34 0.25 -3.12 0.00 0.00 179.24 177.52 1l6t h LEU 8 N 0.12 -0.81 -0.34 1.55 5.85 -1.11 -0.73 115.31 119.84 1l6t h LEU 8 Ca -0.15 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1l6t h LEU 8 Cb 1.72 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 42.87 1l6t h LEU 8 CO 0.20 -0.45 -0.43 0.25 -0.34 0.00 0.00 178.44 177.67 1l6t h LEU 9 N -1.18 -1.40 -0.18 2.25 6.46 -1.68 0.21 115.31 119.79 1l6t h LEU 9 Ca -0.10 0.21 0.03 0.00 -0.12 0.00 0.00 57.88 57.90 1l6t h LEU 9 Cb 0.75 0.60 -0.06 0.00 -0.73 0.00 0.00 40.66 41.22 1l6t h LEU 9 CO 0.16 -0.38 -0.51 0.22 -0.62 0.00 0.00 178.44 177.31 1l6t h TYR 10 N -0.36 -1.53 -0.93 1.25 5.03 -1.43 0.22 116.97 119.21 1l6t h TYR 10 Ca 0.12 0.06 0.21 0.00 2.58 0.00 0.00 58.73 61.70 1l6t h TYR 10 Cb 0.59 0.69 -0.12 0.00 1.55 0.00 0.00 36.73 39.45 1l6t h TYR 10 CO -0.59 -0.50 0.49 1.98 -1.32 0.00 0.00 178.16 178.22 1l6t h MET 11 N -0.51 0.54 0.07 1.82 4.05 -0.37 0.42 114.93 120.95 1l6t h MET 11 Ca 0.04 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.44 1l6t h MET 11 Cb 0.62 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.28 1l6t h MET 11 CO -0.44 0.35 -0.15 0.00 0.23 0.00 0.00 176.91 176.90 1l6t h ALA 12 N 1.67 -0.24 0.30 0.39 0.00 0.13 0.42 119.26 121.92 1l6t h ALA 12 Ca 0.57 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 1l6t h ALA 12 Cb 1.00 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1l6t h ALA 12 CO -0.46 -0.67 -0.14 0.00 0.00 0.00 0.00 179.25 177.98 1l6t h ALA 13 N 0.59 -0.97 -0.26 0.00 0.00 0.83 -1.03 119.26 118.42 1l6t h ALA 13 Ca 0.03 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1l6t h ALA 13 Cb 0.32 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1l6t h ALA 13 CO -0.09 -0.94 -0.16 0.00 0.00 0.00 0.00 179.25 178.06 1l6t h ALA 14 N -1.77 -0.15 -0.98 0.00 0.00 -0.27 0.69 119.26 116.77 1l6t h ALA 14 Ca -0.04 0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.13 1l6t h ALA 14 Cb 0.31 1.09 -0.19 0.00 0.00 0.00 0.00 17.79 19.00 1l6t h ALA 14 CO 0.07 -0.26 -0.13 0.28 0.00 0.00 0.00 179.25 179.20 1l6t h VAL 15 N -0.00 0.02 -0.66 0.00 2.07 -0.23 1.42 116.25 118.86 1l6t h VAL 15 Ca 0.04 -0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1l6t h VAL 15 Cb 0.11 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 29.84 1l6t h VAL 15 CO -0.25 0.00 0.35 0.24 0.02 0.00 0.00 177.57 177.93 1l6t h MET 16 N 0.00 0.61 -0.19 1.57 2.86 0.16 -0.67 114.93 119.28 1l6t h MET 16 Ca 0.53 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 58.07 1l6t h MET 16 Cb 0.93 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 1l6t h MET 16 CO -0.97 0.41 -0.16 0.52 1.06 0.00 0.00 176.91 177.76 1l6t h MET 17 N 0.63 0.32 0.47 1.72 2.86 0.52 -2.31 114.93 119.14 1l6t h MET 17 Ca 0.31 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.84 1l6t h MET 17 Cb 0.24 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1l6t h MET 17 CO -0.21 0.48 -0.23 0.78 1.06 0.00 0.00 176.91 178.79 1l6t h GLY 18 N 0.86 -0.67 0.01 8.32 0.00 0.82 0.13 103.07 112.54 1l6t h GLY 18 Ca 0.06 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1l6t h GLY 18 CO 0.03 -0.24 -0.09 0.17 0.00 0.00 0.00 176.54 176.41 1l6t h LEU 19 N -0.69 -0.27 -0.87 3.11 8.10 -1.39 0.24 115.31 123.54 1l6t h LEU 19 Ca -0.07 0.03 0.08 0.00 0.11 0.00 0.00 57.88 58.03 1l6t h LEU 19 Cb 0.49 0.10 -0.10 0.00 -0.44 0.00 0.00 40.66 40.71 1l6t h LEU 19 CO 0.11 -0.09 -0.52 0.00 -4.11 0.00 0.00 178.44 173.83 1l6t h ALA 20 N -1.35 -0.49 -0.44 0.17 0.00 -1.52 0.29 119.26 115.92 1l6t h ALA 20 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1l6t h ALA 20 Cb 0.12 1.33 -0.06 0.00 0.00 0.00 0.00 17.79 19.18 1l6t h ALA 20 CO -0.05 -0.85 -0.36 0.00 0.00 0.00 0.00 179.25 177.99 1l6t h ALA 21 N 0.31 -0.47 -0.93 0.00 0.00 -0.36 0.66 119.26 118.46 1l6t h ALA 21 Ca 0.14 0.04 0.27 0.00 0.00 0.00 0.00 54.91 55.36 1l6t h ALA 21 Cb 0.36 1.11 -0.15 0.00 0.00 0.00 0.00 17.79 19.10 1l6t h ALA 21 CO -0.82 -0.68 0.29 0.82 0.00 0.00 0.00 179.25 178.85 1l6t h ILE 22 N -0.12 0.23 -0.02 0.00 2.04 0.17 0.43 117.51 120.25 1l6t h ILE 22 Ca 0.07 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.88 1l6t h ILE 22 Cb 0.31 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 1l6t h ILE 22 CO -0.48 0.03 -0.14 1.23 0.00 0.00 0.00 178.15 178.80 1l6t h GLY 23 N 0.17 -1.39 0.89 5.37 0.00 0.37 0.42 103.07 108.91 1l6t h GLY 23 Ca 0.62 0.65 -0.03 0.00 0.00 0.00 0.00 47.33 48.56 1l6t h GLY 23 CO -0.70 -0.48 -0.44 -1.80 0.00 0.00 0.00 176.54 173.12 1l6t h ASP 24 N -0.16 -1.09 -1.86 0.19 3.58 -0.36 -0.16 116.42 116.56 1l6t h ASP 24 Ca 0.01 0.05 0.54 0.00 0.42 0.00 0.00 57.03 58.05 1l6t h ASP 24 Cb 0.18 0.31 -0.07 0.00 1.72 0.00 0.00 39.33 41.46 1l6t h ASP 24 CO -0.10 -0.70 1.36 0.00 -2.88 0.00 0.00 179.24 176.92 1l6t h ALA 25 N -0.98 3.77 0.01 -0.78 0.00 -0.10 1.45 119.26 122.62 1l6t h ALA 25 Ca -0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1l6t h ALA 25 Cb 0.90 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1l6t h ALA 25 CO 0.13 -2.32 -0.00 0.82 0.00 0.00 0.00 179.25 177.88 1l6t h ILE 26 N 0.00 1.59 -0.72 0.00 2.04 0.12 -2.75 117.51 117.79 1l6t h ILE 26 Ca 0.88 -2.06 0.20 0.00 1.00 0.00 0.00 64.86 64.89 1l6t h ILE 26 Cb 3.60 2.94 -0.13 0.00 -0.74 0.00 0.00 36.82 42.49 1l6t h ILE 26 CO -0.01 0.51 0.03 0.61 0.00 0.00 0.00 178.15 179.29 1l6t n GLY 27 N 1.41 -0.96 0.09 5.37 0.00 0.50 0.17 105.19 111.76 1l6t n GLY 27 Ca -0.09 0.70 -0.15 0.00 0.00 0.00 0.00 46.02 46.48 1l6t n GLY 27 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1l6t h ILE 28 N 0.00 1.56 -0.50 -0.61 5.03 -1.59 -2.34 117.51 119.07 1l6t h ILE 28 Ca 0.44 -1.98 0.09 0.00 -0.12 0.00 0.00 64.86 63.30 1l6t h ILE 28 Cb 0.93 2.81 -0.10 0.00 -3.03 0.00 0.00 36.82 37.43 1l6t h ILE 28 CO -0.67 0.54 -0.32 1.23 -0.68 0.00 0.00 178.15 178.25 1l6t h GLY 29 N -0.53 -0.15 1.87 5.37 0.00 0.20 0.50 103.07 110.32 1l6t h GLY 29 Ca -0.03 0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.65 1l6t h GLY 29 CO 0.05 -0.21 -0.23 -2.22 0.00 0.00 0.00 176.54 173.94 1l6t h ILE 30 N -0.20 1.21 -0.42 2.60 1.08 -0.19 -2.51 117.51 119.08 1l6t h ILE 30 Ca 0.21 -0.97 0.03 0.00 -0.39 0.00 0.00 64.86 63.74 1l6t h ILE 30 Cb 0.54 1.39 -0.03 0.00 -3.07 0.00 0.00 36.82 35.64 1l6t h ILE 30 CO -0.61 0.29 0.22 0.25 -0.69 0.00 0.00 178.15 177.61 1l6t h LEU 31 N 0.15 0.33 -1.23 1.44 6.46 0.44 -0.02 115.31 122.88 1l6t h LEU 31 Ca 0.03 0.02 0.22 0.00 -0.12 0.00 0.00 57.88 58.02 1l6t h LEU 31 Cb 0.49 -0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 40.28 1l6t h LEU 31 CO 0.03 0.24 0.62 1.23 -0.62 0.00 0.00 178.44 179.94 1l6t h GLY 32 N 0.44 1.41 1.01 3.75 0.00 -0.35 0.46 103.07 109.79 1l6t h GLY 32 Ca 0.18 -0.27 -0.21 0.00 0.00 0.00 0.00 47.33 47.02 1l6t h GLY 32 CO -0.12 -0.07 -0.81 -1.33 0.00 0.00 0.00 176.54 174.21 1l6t h GLY 33 N 0.57 0.65 1.62 4.60 0.00 -1.26 -2.94 103.07 106.32 1l6t h GLY 33 Ca 0.56 -1.10 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1l6t h GLY 33 CO -0.31 0.98 0.00 1.17 0.00 0.00 0.00 176.54 178.37 1l6t n LYS 34 N -4.03 0.23 -0.03 4.80 3.00 -0.04 -2.11 118.16 119.99 1l6t n LYS 34 Ca -0.10 0.12 -0.09 0.00 -0.00 0.00 0.00 58.31 58.24 1l6t n LYS 34 Cb 0.77 -1.50 -0.14 0.00 0.00 0.00 0.00 35.03 34.16 1l6t n LYS 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1l6t n PHE 35 N -1.31 0.94 -0.08 5.64 7.35 0.14 -3.62 117.46 126.52 1l6t n PHE 35 Ca 0.08 0.34 -0.07 0.00 -0.76 0.00 0.00 57.45 57.04 1l6t n PHE 35 Cb 0.15 -1.17 -0.01 0.00 0.35 0.00 0.00 39.48 38.80 1l6t n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1l6t h LEU 36 N 0.00 -0.34 -0.56 -2.13 -0.00 -1.27 0.56 115.31 111.56 1l6t h LEU 36 Ca -0.30 0.10 -0.04 0.00 -0.00 0.00 0.00 57.88 57.63 1l6t h LEU 36 Cb 2.03 0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 42.88 1l6t h LEU 36 CO 0.08 -0.13 0.20 -0.33 -0.00 0.00 0.00 178.44 178.26 1l6t h GLU 37 N -0.04 0.86 -0.72 1.13 3.07 -1.73 -0.33 114.58 116.83 1l6t h GLU 37 Ca 0.15 -0.17 0.02 0.00 -0.50 0.00 0.00 59.36 58.85 1l6t h GLU 37 Cb 0.26 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.00 1l6t h GLU 37 CO -0.32 0.76 0.47 0.78 -1.40 0.00 0.00 179.01 179.30 1l6t h GLY 38 N 0.78 1.03 -1.38 -3.84 0.00 -1.33 0.47 103.07 98.80 1l6t h GLY 38 Ca 0.18 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1l6t h GLY 38 CO -0.01 0.34 0.00 0.00 0.00 0.00 0.00 176.54 176.87 1l6t n ALA 39 N -2.30 2.62 0.64 3.60 0.00 0.19 -3.42 120.51 121.83 1l6t n ALA 39 Ca 0.07 -0.60 0.12 0.00 0.00 0.00 0.00 53.44 53.03 1l6t n ALA 39 Cb 0.04 -1.00 0.23 0.00 0.00 0.00 0.00 19.45 18.72 1l6t n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l6t n ALA 40 N 0.36 2.89 0.08 0.00 0.00 0.16 -3.63 120.51 120.37 1l6t n ALA 40 Ca 0.11 -0.23 -0.09 0.00 0.00 0.00 0.00 53.44 53.23 1l6t n ALA 40 Cb 0.36 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 1l6t n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l6t h ARG 41 N 0.00 0.21 -4.55 0.00 -0.00 -1.63 -3.43 114.38 104.98 1l6t h ARG 41 Ca 0.00 -0.23 -0.57 0.00 -0.50 0.00 0.00 59.98 58.68 1l6t h ARG 41 Cb 0.71 0.07 -0.36 0.00 0.00 0.00 0.00 29.97 30.39 1l6t h ARG 41 CO 0.00 0.97 -0.82 1.14 0.00 0.00 0.00 179.97 181.26 1l6t s GLN 42 N -3.18 2.03 0.00 0.04 0.00 -1.24 -4.98 119.66 112.32 1l6t s GLN 42 Ca -0.03 -0.46 0.22 0.00 -0.00 0.00 0.00 55.36 55.09 1l6t s GLN 42 Cb 0.10 -1.87 1.32 0.00 0.00 0.00 0.00 33.01 32.56 1l6t s GLN 42 CO 0.83 -0.19 1.72 -0.35 0.00 0.00 0.00 175.29 177.30 1l6t n PRO 43 N 4.64 0.76 -0.24 9.60 -0.04 -1.26 -2.21 135.00 146.24 1l6t n PRO 43 Ca -0.16 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.39 1l6t n PRO 43 Cb 0.50 -1.46 0.25 0.00 -0.04 0.00 0.00 33.50 32.76 1l6t n PRO 43 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1l6t n ASP 44 N -0.96 2.83 -0.01 3.54 9.92 -1.26 -3.65 116.55 126.96 1l6t n ASP 44 Ca 0.17 -1.97 0.00 0.00 -0.53 0.00 0.00 54.79 52.46 1l6t n ASP 44 Cb 0.08 -0.32 0.00 0.00 -0.64 0.00 0.00 41.12 40.24 1l6t n ASP 44 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1l6t n LEU 45 N 1.05 0.75 -0.02 0.64 4.32 -0.94 -4.75 117.00 118.06 1l6t n LEU 45 Ca 0.18 -0.78 -0.11 0.00 -0.02 0.00 0.00 56.01 55.28 1l6t n LEU 45 Cb 0.46 -0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.17 1l6t n LEU 45 CO 0.13 0.19 0.38 0.40 -1.22 0.00 0.00 177.39 177.27 1l6t h ILE 46 N 1.94 1.19 0.00 -0.08 2.04 -1.65 -0.28 117.51 120.67 1l6t h ILE 46 Ca 0.00 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.27 1l6t h ILE 46 Cb 0.82 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 1l6t h ILE 46 CO 0.00 0.36 0.00 -0.81 0.00 0.00 0.00 178.15 177.70 1l6t n PRO 47 N -4.77 0.75 -0.11 2.37 -0.04 -1.26 -0.83 135.00 131.10 1l6t n PRO 47 Ca -0.08 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.19 1l6t n PRO 47 Cb 0.31 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.21 1l6t n PRO 47 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1l6t n LEU 48 N -1.00 1.87 0.04 1.53 7.99 -1.21 -4.04 117.00 122.18 1l6t n LEU 48 Ca 0.18 0.32 -0.03 0.00 -0.01 0.00 0.00 56.01 56.47 1l6t n LEU 48 Cb 0.08 -0.75 0.21 0.00 -0.11 0.00 0.00 43.42 42.85 1l6t n LEU 48 CO 0.13 0.17 0.71 0.17 -1.51 0.00 0.00 177.39 177.06 1l6t h LEU 49 N -0.95 0.43 0.00 2.23 -0.00 -1.04 -2.85 115.31 113.13 1l6t h LEU 49 Ca -0.37 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.36 1l6t h LEU 49 Cb 1.30 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1l6t h LEU 49 CO -0.22 0.71 0.00 -1.14 -0.00 0.00 0.00 178.44 177.79 1l6t n ARG 50 N -4.10 0.00 -0.37 0.17 0.63 -0.01 -0.56 116.66 112.42 1l6t n ARG 50 Ca -0.01 0.49 0.03 0.00 -0.92 0.00 0.00 57.85 57.43 1l6t n ARG 50 Cb 0.43 -1.43 0.09 0.00 0.45 0.00 0.00 32.46 31.99 1l6t n ARG 50 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1l6t h THR 51 N 0.00 0.01 0.14 5.15 2.02 -1.70 0.46 112.91 118.99 1l6t h THR 51 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1l6t h THR 51 Cb 0.00 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 1l6t h THR 51 CO 0.00 0.00 -0.38 1.56 0.37 0.00 0.00 175.52 177.07 1l6t h GLN 52 N -0.00 -0.55 -0.64 6.66 4.20 -1.41 -2.79 115.11 120.58 1l6t h GLN 52 Ca 0.41 0.04 0.06 0.00 0.06 0.00 0.00 58.65 59.22 1l6t h GLN 52 Cb 0.66 0.13 -0.08 0.00 0.30 0.00 0.00 27.48 28.49 1l6t h GLN 52 CO -1.01 -0.37 -0.38 0.34 -0.67 0.00 0.00 178.83 176.75 1l6t n PHE 53 N -4.60 -0.28 -0.36 2.96 7.35 0.28 -0.22 117.46 122.59 1l6t n PHE 53 Ca -0.07 0.80 -0.09 0.00 -0.76 0.00 0.00 57.45 57.34 1l6t n PHE 53 Cb 0.30 -0.53 -0.07 0.00 0.35 0.00 0.00 39.48 39.52 1l6t n PHE 53 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1l6t n PHE 54 N -4.50 -0.34 -0.03 -5.13 -0.00 -0.77 0.59 117.46 107.27 1l6t n PHE 54 Ca 0.01 1.09 -0.09 0.00 -0.00 0.00 0.00 57.45 58.46 1l6t n PHE 54 Cb 0.17 -0.60 -0.03 0.00 -0.00 0.00 0.00 39.48 39.02 1l6t n PHE 54 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 1l6t h ILE 55 N 0.00 0.86 -0.83 -2.13 2.04 -0.55 -1.34 117.51 115.56 1l6t h ILE 55 Ca 0.16 -0.01 0.20 0.00 1.00 0.00 0.00 64.86 66.21 1l6t h ILE 55 Cb 0.38 0.82 -0.13 0.00 -0.74 0.00 0.00 36.82 37.15 1l6t h ILE 55 CO -0.83 0.01 0.24 0.58 0.00 0.00 0.00 178.15 178.15 1l6t h VAL 56 N 0.04 0.42 -0.34 1.67 2.07 0.34 0.27 116.25 120.71 1l6t h VAL 56 Ca 0.08 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.57 1l6t h VAL 56 Cb 0.11 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 29.95 1l6t h VAL 56 CO -0.15 0.05 -0.00 -0.03 0.02 0.00 0.00 177.57 177.45 1l6t h MET 57 N 0.27 0.09 -0.29 1.57 -1.53 0.99 0.51 114.93 116.54 1l6t h MET 57 Ca 0.50 -0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.75 1l6t h MET 57 Cb 0.94 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.96 1l6t h MET 57 CO -0.58 0.06 0.15 0.78 0.14 0.00 0.00 176.91 177.46 1l6t h GLY 58 N 0.09 0.43 1.67 1.39 0.00 -0.24 -1.89 103.07 104.53 1l6t h GLY 58 Ca 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1l6t h GLY 58 CO -0.28 0.20 0.11 -2.00 0.00 0.00 0.00 176.54 174.56 1l6t h LEU 59 N 0.34 0.38 -0.86 3.11 6.46 -0.32 0.20 115.31 124.62 1l6t h LEU 59 Ca 0.10 -0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.79 1l6t h LEU 59 Cb 0.09 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 39.89 1l6t h LEU 59 CO -0.01 0.37 0.37 0.58 -0.62 0.00 0.00 178.44 179.12 1l6t h VAL 60 N 0.43 1.26 -0.00 1.05 2.07 0.70 -0.00 116.25 121.75 1l6t h VAL 60 Ca 0.11 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1l6t h VAL 60 Cb 0.12 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1l6t h VAL 60 CO -0.01 0.32 -0.16 0.59 0.02 0.00 0.00 177.57 178.33 1l6t n ASN 61 N -4.29 0.56 0.09 0.57 5.03 -0.49 -3.15 115.26 113.58 1l6t n ASN 61 Ca 0.08 -0.56 0.11 0.00 0.87 0.00 0.00 54.58 55.08 1l6t n ASN 61 Cb 0.16 -0.03 -0.00 0.00 -1.02 0.00 0.00 39.78 38.88 1l6t n ASN 61 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1l6t n ALA 62 N -0.95 2.61 0.15 5.41 0.00 0.58 -2.38 120.51 125.93 1l6t n ALA 62 Ca 0.13 -0.26 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 1l6t n ALA 62 Cb 0.30 -1.08 -0.08 0.00 0.00 0.00 0.00 19.45 18.59 1l6t n ALA 62 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1l6t h ILE 63 N 0.00 0.72 -0.06 0.00 2.04 -1.07 -0.21 117.51 118.94 1l6t h ILE 63 Ca 0.00 -0.62 -0.25 0.00 1.00 0.00 0.00 64.86 64.99 1l6t h ILE 63 Cb 0.97 1.04 0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1l6t h ILE 63 CO 0.00 0.12 -0.95 1.55 0.00 0.00 0.00 178.15 178.88 1l6t h PRO 64 N -0.74 0.73 -0.92 2.37 0.13 -1.72 -0.80 132.00 131.05 1l6t h PRO 64 Ca -0.04 -0.71 0.02 0.00 -0.87 0.00 0.00 66.00 64.40 1l6t h PRO 64 Cb 0.49 0.18 -0.05 0.00 0.13 0.00 0.00 31.00 31.76 1l6t h PRO 64 CO 0.06 1.29 0.61 1.98 -0.23 0.00 0.00 178.00 181.72 1l6t h MET 65 N 0.44 1.17 0.00 0.86 1.85 -1.54 0.45 114.93 118.16 1l6t h MET 65 Ca -0.10 -0.07 -0.19 0.00 -0.61 0.00 0.00 59.70 58.73 1l6t h MET 65 Cb 1.59 -0.26 -0.03 0.00 0.43 0.00 0.00 31.60 33.33 1l6t h MET 65 CO 0.19 0.77 -0.94 0.82 -0.40 0.00 0.00 176.91 177.35 1l6t h ILE 66 N 1.20 1.50 0.00 1.77 2.04 -1.04 -0.06 117.51 122.92 1l6t h ILE 66 Ca 0.35 -3.15 0.00 0.00 1.00 0.00 0.00 64.86 63.06 1l6t h ILE 66 Cb -0.07 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1l6t h ILE 66 CO -0.09 0.86 0.00 0.00 0.00 0.00 0.00 178.15 178.92 1l6t n ALA 67 N -2.34 -0.22 0.26 1.87 0.00 -0.31 -1.86 120.51 117.92 1l6t n ALA 67 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1l6t n ALA 67 Cb 0.90 0.00 0.66 0.00 0.00 0.00 0.00 19.45 21.01 1l6t n ALA 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1l6t h VAL 68 N 0.00 0.91 0.73 0.00 2.07 -0.31 -2.35 116.25 117.30 1l6t h VAL 68 Ca 0.00 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1l6t h VAL 68 Cb 0.00 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1l6t h VAL 68 CO 0.00 0.07 -0.45 1.23 0.02 0.00 0.00 177.57 178.44 1l6t h GLY 69 N 0.25 -1.23 0.65 2.17 0.00 -1.06 0.20 103.07 104.06 1l6t h GLY 69 Ca -0.00 0.50 0.01 0.00 0.00 0.00 0.00 47.33 47.84 1l6t h GLY 69 CO 0.01 -0.42 -0.26 -2.00 0.00 0.00 0.00 176.54 173.87 1l6t h LEU 70 N -1.11 -0.71 -0.85 3.11 6.46 -1.09 0.11 115.31 121.24 1l6t h LEU 70 Ca -0.09 0.07 0.20 0.00 -0.12 0.00 0.00 57.88 57.94 1l6t h LEU 70 Cb 0.89 0.25 -0.12 0.00 -0.73 0.00 0.00 40.66 40.95 1l6t h LEU 70 CO 0.09 -0.37 0.30 1.23 -0.62 0.00 0.00 178.44 179.08 1l6t h GLY 71 N -0.52 1.35 0.48 3.75 0.00 -1.35 0.22 103.07 107.00 1l6t h GLY 71 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1l6t h GLY 71 CO -0.09 -0.26 -0.23 1.41 0.00 0.00 0.00 176.54 177.38 1l6t h LEU 72 N 0.34 -0.55 -0.94 3.11 3.38 0.18 -1.39 115.31 119.44 1l6t h LEU 72 Ca 0.51 0.02 0.30 0.00 0.09 0.00 0.00 57.88 58.80 1l6t h LEU 72 Cb 0.95 0.14 -0.17 0.00 0.09 0.00 0.00 40.66 41.67 1l6t h LEU 72 CO -0.54 -0.33 0.15 0.00 0.09 0.00 0.00 178.44 177.81 1l6t n TYR 73 N -4.08 0.74 0.01 1.13 4.19 0.32 0.15 117.16 119.63 1l6t n TYR 73 Ca -0.08 1.13 -0.12 0.00 3.31 0.00 0.00 57.90 62.14 1l6t n TYR 73 Cb 0.25 -1.29 -0.07 0.00 0.49 0.00 0.00 39.34 38.72 1l6t n TYR 73 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1l6t h VAL 74 N 0.00 1.11 0.37 2.97 2.07 -0.88 0.10 116.25 121.99 1l6t h VAL 74 Ca 0.63 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.83 1l6t h VAL 74 Cb 1.43 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 1l6t h VAL 74 CO -0.84 0.09 -0.45 -0.03 0.02 0.00 0.00 177.57 176.35 1l6t h MET 75 N -0.08 -0.83 -0.50 1.57 4.05 0.26 -1.65 114.93 117.75 1l6t h MET 75 Ca 0.01 0.06 0.08 0.00 -0.28 0.00 0.00 59.70 59.57 1l6t h MET 75 Cb 0.13 0.19 -0.06 0.00 -0.80 0.00 0.00 31.60 31.05 1l6t h MET 75 CO -0.00 -0.55 0.14 0.35 0.23 0.00 0.00 176.91 177.08 1l6t h PHE 76 N -0.86 0.23 0.00 1.39 3.04 -0.70 1.28 116.94 121.33 1l6t h PHE 76 Ca -0.03 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1l6t h PHE 76 Cb 0.78 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.26 1l6t h PHE 76 CO -0.27 0.04 0.00 0.00 -2.02 0.00 0.00 178.31 176.06 1l6t n ALA 77 N -2.48 -0.18 -0.17 2.41 0.00 0.35 -1.98 120.51 118.46 1l6t n ALA 77 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.45 1l6t n ALA 77 Cb 0.23 0.31 0.05 0.00 0.00 0.00 0.00 19.45 20.03 1l6t n ALA 77 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1l6t h VAL 78 N 0.00 0.99 -0.00 0.00 -1.51 -1.14 -3.51 116.25 111.08 1l6t h VAL 78 Ca 0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 1l6t h VAL 78 Cb 0.00 0.41 0.00 0.00 -2.13 0.00 0.00 31.29 29.57 1l6t h VAL 78 CO 0.00 0.10 0.00 0.00 -1.23 0.00 0.00 177.57 176.44