#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6p n ASN 2 N 0.00 -7.60 -0.03 7.83 4.13 -1.26 -4.97 115.26 113.37 1r6p n ASN 2 Ca 0.00 0.06 0.01 0.00 1.68 0.00 0.00 54.58 56.32 1r6p n ASN 2 Cb 0.00 -5.00 -0.14 0.00 -1.54 0.00 0.00 39.78 33.10 1r6p n ASN 2 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1r6p n ASP 3 N -1.32 0.24 0.16 6.41 9.92 -1.26 -4.26 116.55 126.44 1r6p n ASP 3 Ca 0.01 0.11 0.14 0.00 -0.53 0.00 0.00 54.79 54.52 1r6p n ASP 3 Cb 0.51 1.12 0.70 0.00 -0.64 0.00 0.00 41.12 42.81 1r6p n ASP 3 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1r6p h ILE 4 N 0.00 0.79 -0.92 0.53 -0.00 -1.99 -1.63 117.51 114.30 1r6p h ILE 4 Ca -0.24 0.00 0.09 0.00 -0.00 0.00 0.00 64.86 64.71 1r6p h ILE 4 Cb 1.61 0.87 -0.07 0.00 -0.00 0.00 0.00 36.82 39.23 1r6p h ILE 4 CO 0.02 0.00 0.56 1.88 -0.00 0.00 0.00 178.15 180.62 1r6p h TYR 5 N 0.00 1.03 0.00 0.16 -1.99 -1.98 -0.97 116.97 113.23 1r6p h TYR 5 Ca 0.11 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.80 1r6p h TYR 5 Cb 0.46 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 1r6p h TYR 5 CO 0.00 0.46 -0.42 0.87 -0.00 0.00 0.00 178.16 179.07 1r6p h LYS 6 N 0.96 0.00 -0.23 4.88 6.56 -1.58 -3.22 116.57 123.95 1r6p h LYS 6 Ca 0.43 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.90 1r6p h LYS 6 Cb 0.32 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.97 1r6p h LYS 6 CO -0.22 0.31 -0.37 0.00 -2.06 0.00 0.00 179.45 177.10 1r6p h ALA 7 N 1.68 0.93 -0.06 3.86 0.00 -0.89 -2.19 119.26 122.59 1r6p h ALA 7 Ca -0.01 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 1r6p h ALA 7 Cb 1.26 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1r6p h ALA 7 CO 0.04 0.62 -0.40 0.00 0.00 0.00 0.00 179.25 179.52 1r6p h ALA 8 N 1.17 0.13 0.00 0.00 0.00 -1.44 -2.97 119.26 116.16 1r6p h ALA 8 Ca 0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1r6p h ALA 8 Cb 0.84 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1r6p h ALA 8 CO 0.07 0.25 -0.06 -0.24 0.00 0.00 0.00 179.25 179.27 1r6p h VAL 9 N -0.12 0.31 0.00 0.00 3.04 -1.56 0.36 116.25 118.28 1r6p h VAL 9 Ca -0.03 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 1r6p h VAL 9 Cb 1.06 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.62 1r6p h VAL 9 CO 0.08 0.06 -0.18 -0.33 -1.01 0.00 0.00 177.57 176.19 1r6p h GLU 10 N 0.00 0.00 -0.05 4.17 5.08 -1.33 -3.33 114.58 119.11 1r6p h GLU 10 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1r6p h GLU 10 Cb 0.27 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.23 1r6p h GLU 10 CO 0.01 0.00 -0.89 0.00 -1.00 0.00 0.00 179.01 177.13 1r6p n GLN 11 N -2.82 0.65 -0.98 2.33 10.64 -0.49 -5.09 117.38 121.61 1r6p n GLN 11 Ca 0.04 -2.52 -0.29 0.00 -1.83 0.00 0.00 57.00 52.40 1r6p n GLN 11 Cb 0.51 -0.61 0.22 0.00 -0.86 0.00 0.00 30.24 29.49 1r6p n GLN 11 CO 0.00 0.00 0.00 -0.48 -1.83 0.00 0.00 177.06 174.75 1r6p s LEU 12 N -1.24 0.97 0.38 2.61 0.05 0.11 -4.99 118.68 116.58 1r6p s LEU 12 Ca 0.35 1.05 0.02 0.00 0.05 0.00 0.00 54.13 55.60 1r6p s LEU 12 Cb 0.38 -2.99 -0.01 0.00 -2.05 0.00 0.00 46.19 41.51 1r6p s LEU 12 CO -0.13 -3.79 0.57 0.42 -0.55 0.00 0.00 176.35 172.87 1r6p s THR 13 N -2.84 4.42 0.30 5.48 -4.23 -1.26 -5.00 115.64 112.51 1r6p s THR 13 Ca 0.68 -0.64 0.09 0.00 -1.18 0.00 0.00 61.69 60.64 1r6p s THR 13 Cb -0.17 -3.60 0.03 0.00 1.34 0.00 0.00 72.50 70.10 1r6p s THR 13 CO 0.58 -0.36 1.70 -0.78 -0.54 0.00 0.00 174.62 175.23 1r6p h ASP 14 N 0.67 0.12 -0.36 3.99 3.58 -2.00 -2.85 116.42 119.56 1r6p h ASP 14 Ca -0.48 -0.05 -0.11 0.00 0.42 0.00 0.00 57.03 56.81 1r6p h ASP 14 Cb 1.24 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.24 1r6p h ASP 14 CO 0.58 0.58 -0.16 -0.33 -2.88 0.00 0.00 179.24 177.02 1r6p h GLU 15 N 0.09 0.83 -0.69 0.28 5.08 -1.99 -1.90 114.58 116.29 1r6p h GLU 15 Ca 0.00 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1r6p h GLU 15 Cb 0.88 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 1r6p h GLU 15 CO 0.07 0.94 0.44 1.96 -1.00 0.00 0.00 179.01 181.41 1r6p h GLN 16 N 0.74 0.92 -0.33 2.33 4.20 -1.91 -1.22 115.11 119.84 1r6p h GLN 16 Ca 0.11 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.66 1r6p h GLN 16 Cb 0.68 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1r6p h GLN 16 CO 0.05 0.63 -0.21 0.87 -0.67 0.00 0.00 178.83 179.49 1r6p h LYS 17 N 0.93 0.62 -0.13 1.46 1.57 -1.39 -2.87 116.57 116.77 1r6p h LYS 17 Ca 0.25 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1r6p h LYS 17 Cb -0.08 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1r6p h LYS 17 CO -0.05 0.79 -0.34 -0.91 -0.57 0.00 0.00 179.45 178.37 1r6p h ASN 18 N 0.55 0.26 -0.72 0.86 2.35 -0.70 0.53 115.58 118.72 1r6p h ASN 18 Ca 0.08 -0.10 0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1r6p h ASN 18 Cb 0.66 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.92 1r6p h ASN 18 CO 0.05 0.59 0.45 -0.33 -1.65 0.00 0.00 177.43 176.54 1r6p h GLU 19 N 0.22 0.87 0.07 0.81 5.08 -1.01 -2.01 114.58 118.61 1r6p h GLU 19 Ca 0.03 -0.05 -0.30 0.00 -1.00 0.00 0.00 59.36 58.04 1r6p h GLU 19 Cb 0.71 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1r6p h GLU 19 CO 0.05 0.57 -1.64 0.74 -1.00 0.00 0.00 179.01 177.74 1r6p h PHE 20 N 0.89 0.25 -0.87 4.33 0.04 -1.54 -3.37 116.94 116.67 1r6p h PHE 20 Ca 0.28 -0.19 0.17 0.00 2.80 0.00 0.00 57.97 61.04 1r6p h PHE 20 Cb -0.00 -0.01 -0.07 0.00 2.20 0.00 0.00 35.95 38.07 1r6p h PHE 20 CO -0.04 1.64 0.57 -0.22 -0.60 0.00 0.00 178.31 179.67 1r6p h LYS 21 N -0.45 0.53 0.38 1.51 3.11 0.05 0.77 116.57 122.46 1r6p h LYS 21 Ca -0.39 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.40 1r6p h LYS 21 Cb 1.68 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 32.79 1r6p h LYS 21 CO -0.06 0.35 -0.18 0.00 -2.81 0.00 0.00 179.45 176.75 1r6p h ALA 22 N 1.61 -0.51 -0.35 5.00 0.00 -1.54 0.23 119.26 123.71 1r6p h ALA 22 Ca 0.45 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 1r6p h ALA 22 Cb 0.91 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1r6p h ALA 22 CO -0.19 -0.76 -0.24 0.00 0.00 0.00 0.00 179.25 178.07 1r6p h ALA 23 N 0.05 0.94 -0.45 0.00 0.00 -1.49 -2.92 119.26 115.40 1r6p h ALA 23 Ca -0.05 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1r6p h ALA 23 Cb 0.42 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1r6p h ALA 23 CO 0.08 0.61 0.28 0.35 0.00 0.00 0.00 179.25 180.57 1r6p h PHE 24 N 0.60 0.59 -0.73 0.00 3.04 0.74 0.41 116.94 121.59 1r6p h PHE 24 Ca 0.08 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.99 1r6p h PHE 24 Cb 0.72 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 39.00 1r6p h PHE 24 CO 0.03 0.40 0.29 -0.44 -2.02 0.00 0.00 178.31 176.58 1r6p h ASP 25 N 0.60 0.99 0.36 0.41 5.19 -0.43 -0.76 116.42 122.77 1r6p h ASP 25 Ca 0.16 -0.14 -0.27 0.00 -0.62 0.00 0.00 57.03 56.16 1r6p h ASP 25 Cb -0.02 -0.26 0.01 0.00 0.18 0.00 0.00 39.33 39.25 1r6p h ASP 25 CO -0.03 0.88 -1.14 0.16 -3.12 0.00 0.00 179.24 175.99 1r6p h ILE 26 N 1.06 1.39 -0.04 0.35 3.07 -1.32 -2.62 117.51 119.40 1r6p h ILE 26 Ca 0.25 -2.64 -0.16 0.00 1.55 0.00 0.00 64.86 63.85 1r6p h ILE 26 Cb 0.20 2.68 -0.01 0.00 -0.27 0.00 0.00 36.82 39.41 1r6p h ILE 26 CO -0.02 0.79 -0.70 -0.26 -1.05 0.00 0.00 178.15 176.91 1r6p h PHE 27 N 0.20 0.27 -0.53 0.16 0.04 -0.82 -2.98 116.94 113.27 1r6p h PHE 27 Ca -0.14 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.52 1r6p h PHE 27 Cb 1.82 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.93 1r6p h PHE 27 CO 0.08 0.83 0.00 0.44 -0.60 0.00 0.00 178.31 179.06 1r6p n ILE 28 N -3.79 0.71 -0.34 -0.55 -6.64 -0.30 -4.41 119.36 104.03 1r6p n ILE 28 Ca -0.03 -0.72 0.15 0.00 -1.77 0.00 0.00 62.75 60.38 1r6p n ILE 28 Cb 0.68 0.40 0.35 0.00 -1.44 0.00 0.00 39.64 39.63 1r6p n ILE 28 CO 0.00 0.00 0.00 -0.61 -1.77 0.00 0.00 176.55 174.17 1r6p h GLN 29 N 3.25 0.67 -0.59 6.28 4.15 -1.30 0.21 115.11 127.79 1r6p h GLN 29 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1r6p h GLN 29 Cb 0.74 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1r6p h GLN 29 CO 0.00 0.45 0.00 -0.25 -1.93 0.00 0.00 178.83 177.10 1r6p n ASP 30 N -4.77 5.16 -4.94 -0.69 9.92 -1.26 -4.96 116.55 115.01 1r6p n ASP 30 Ca 0.24 -2.71 -0.27 0.00 -0.53 0.00 0.00 54.79 51.52 1r6p n ASP 30 Cb 0.63 -0.62 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1r6p n ASP 30 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r6p s ALA 31 N -2.33 3.96 -0.30 2.24 0.00 0.75 -5.03 121.76 121.05 1r6p s ALA 31 Ca 0.52 -0.96 0.12 0.00 0.00 0.00 0.00 51.96 51.64 1r6p s ALA 31 Cb 0.37 -1.82 0.47 0.00 0.00 0.00 0.00 23.12 22.14 1r6p s ALA 31 CO 0.20 0.59 1.14 -0.85 0.00 0.00 0.00 175.76 176.84 1r6p n GLU 32 N -0.37 2.89 0.00 0.00 0.00 -1.26 -4.78 120.64 117.13 1r6p n GLU 32 Ca -0.06 -3.95 0.00 0.00 0.00 0.00 0.00 57.16 53.15 1r6p n GLU 32 Cb 0.53 -2.02 0.00 0.00 0.00 0.00 0.00 31.44 29.96 1r6p n GLU 32 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1r6p n ASP 33 N -0.62 0.00 0.00 -1.84 2.03 -1.26 -5.07 116.55 109.79 1r6p n ASP 33 Ca 0.30 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.61 1r6p n ASP 33 Cb 0.88 0.05 0.00 0.00 -0.72 0.00 0.00 41.12 41.33 1r6p n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r6p n GLY 34 N 1.12 0.98 3.19 0.27 0.00 -1.26 -5.15 105.19 104.35 1r6p n GLY 34 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1r6p n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r6p s ILE 36 N -0.84 2.42 -0.41 0.00 -5.25 -0.18 -4.70 121.20 112.25 1r6p s ILE 36 Ca -0.09 -0.52 -0.20 0.00 -0.99 0.00 0.00 60.65 58.85 1r6p s ILE 36 Cb -0.05 -2.90 0.02 0.00 2.95 0.00 0.00 42.46 42.48 1r6p s ILE 36 CO 0.02 0.00 0.62 -0.55 -1.79 0.00 0.00 174.94 173.25 1r6p s SER 37 N -4.53 6.34 0.34 4.36 0.15 -1.26 -1.94 113.70 117.16 1r6p s SER 37 Ca 0.61 -0.20 0.07 0.00 0.70 0.00 0.00 55.95 57.13 1r6p s SER 37 Cb -0.09 -2.31 0.76 0.00 -1.71 0.00 0.00 66.02 62.67 1r6p s SER 37 CO 0.42 -0.70 1.86 0.71 1.20 0.00 0.00 173.24 176.73 1r6p h THR 38 N 5.80 0.84 0.00 6.45 1.35 -1.85 0.32 112.91 125.82 1r6p h THR 38 Ca -0.26 -0.26 -0.02 0.00 -0.55 0.00 0.00 66.41 65.32 1r6p h THR 38 Cb 1.10 0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1r6p h THR 38 CO 0.86 0.14 -0.11 0.07 -0.25 0.00 0.00 175.52 176.23 1r6p h LYS 39 N 0.76 0.00 -0.67 4.72 2.10 -1.92 -1.43 116.57 120.13 1r6p h LYS 39 Ca 0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 1r6p h LYS 39 Cb 0.69 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 1r6p h LYS 39 CO -0.23 0.11 0.00 0.39 -2.00 0.00 0.00 179.45 177.72 1r6p n GLU 40 N -3.83 3.33 0.16 0.07 1.02 0.11 -4.44 120.64 117.05 1r6p n GLU 40 Ca -0.02 -2.68 0.16 0.00 -0.02 0.00 0.00 57.16 54.60 1r6p n GLU 40 Cb 0.21 -1.78 0.76 0.00 -0.02 0.00 0.00 31.44 30.61 1r6p n GLU 40 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1r6p h LEU 41 N 4.00 0.00 -2.18 -4.62 7.12 -0.77 -1.04 115.31 117.82 1r6p h LEU 41 Ca 0.00 0.00 0.06 0.00 0.13 0.00 0.00 57.88 58.07 1r6p h LEU 41 Cb 1.27 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.39 1r6p h LEU 41 CO 0.16 0.00 0.23 1.23 -0.13 0.00 0.00 178.44 179.93 1r6p h GLY 42 N 0.00 0.00 1.88 3.75 0.00 -1.81 0.10 103.07 106.99 1r6p h GLY 42 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.39 1r6p h GLY 42 CO -0.00 0.00 -0.38 1.70 0.00 0.00 0.00 176.54 177.86 1r6p h LYS 43 N 0.00 0.00 0.06 4.80 3.64 -1.55 -3.27 116.57 120.25 1r6p h LYS 43 Ca 0.10 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.14 1r6p h LYS 43 Cb 0.56 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 1r6p h LYS 43 CO -0.00 0.26 -2.00 1.33 -2.27 0.00 0.00 179.45 176.77 1r6p n VAL 44 N -3.12 1.65 -0.24 2.00 0.24 0.14 -3.43 118.33 115.57 1r6p n VAL 44 Ca 0.02 -0.71 0.06 0.00 -2.04 0.00 0.00 64.34 61.66 1r6p n VAL 44 Cb 0.65 -1.34 0.30 0.00 -1.47 0.00 0.00 33.84 31.99 1r6p n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1r6p h MET 45 N 0.03 0.85 -0.00 7.34 -0.00 -1.10 0.22 114.93 122.27 1r6p h MET 45 Ca -0.41 -0.05 -0.16 0.00 -0.00 0.00 0.00 59.70 59.08 1r6p h MET 45 Cb 2.03 -0.19 -0.02 0.00 -0.00 0.00 0.00 31.60 33.42 1r6p h MET 45 CO 0.06 0.56 -0.74 0.07 -0.00 0.00 0.00 176.91 176.86 1r6p h ARG 46 N 0.87 0.03 -0.08 -0.10 0.11 -1.60 0.20 114.38 113.82 1r6p h ARG 46 Ca 0.35 -0.03 -0.14 0.00 0.10 0.00 0.00 59.98 60.26 1r6p h ARG 46 Cb 0.25 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.33 1r6p h ARG 46 CO -0.13 0.76 -0.57 1.98 0.10 0.00 0.00 179.97 182.11 1r6p h MET 47 N 0.02 0.26 -0.00 0.08 4.05 -0.98 -3.02 114.93 115.33 1r6p h MET 47 Ca -0.01 -0.17 -0.15 0.00 -0.28 0.00 0.00 59.70 59.09 1r6p h MET 47 Cb 1.31 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 32.11 1r6p h MET 47 CO 0.10 0.76 -0.73 -0.07 0.23 0.00 0.00 176.91 177.20 1r6p h LEU 48 N 0.19 0.03 0.00 3.39 4.07 -0.60 -3.47 115.31 118.93 1r6p h LEU 48 Ca -0.00 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1r6p h LEU 48 Cb 1.06 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.79 1r6p h LEU 48 CO 0.09 0.75 0.00 0.61 -1.08 0.00 0.00 178.44 178.81 1r6p n GLY 49 N 0.56 1.85 3.33 0.83 0.00 -1.03 -5.11 105.19 105.61 1r6p n GLY 49 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1r6p n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r6p s GLN 50 N -0.21 1.24 -0.43 1.61 -1.52 0.69 -5.02 119.66 116.03 1r6p s GLN 50 Ca 0.00 -1.32 0.09 0.00 -1.95 0.00 0.00 55.36 52.18 1r6p s GLN 50 Cb 0.00 -1.44 0.30 0.00 -0.22 0.00 0.00 33.01 31.65 1r6p s GLN 50 CO 0.00 0.31 0.68 -1.71 -0.25 0.00 0.00 175.29 174.32 1r6p n ASN 51 N 0.65 1.34 -2.61 5.90 5.15 -1.26 -3.33 115.26 121.09 1r6p n ASN 51 Ca -0.16 -3.02 0.00 0.00 -0.60 0.00 0.00 54.58 50.80 1r6p n ASN 51 Cb 0.55 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 39.18 1r6p n ASN 51 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1r6p n PRO 52 N 0.71 1.23 -3.60 1.20 -0.04 -1.26 -5.12 135.00 128.13 1r6p n PRO 52 Ca 0.25 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.48 1r6p n PRO 52 Cb 0.55 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.01 1r6p n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1r6p s THR 53 N 0.23 2.10 0.09 0.52 -4.23 -1.26 -4.97 115.64 108.12 1r6p s THR 53 Ca 0.00 -1.34 0.16 0.00 -1.18 0.00 0.00 61.69 59.33 1r6p s THR 53 Cb 0.00 -2.44 0.07 0.00 1.34 0.00 0.00 72.50 71.48 1r6p s THR 53 CO 0.00 0.00 1.61 1.55 -0.54 0.00 0.00 174.62 177.24 1r6p h PRO 54 N 0.73 0.00 0.06 3.99 0.13 -1.99 -0.87 132.00 134.04 1r6p h PRO 54 Ca -0.37 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.52 1r6p h PRO 54 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1r6p h PRO 54 CO 0.54 0.48 -1.13 0.93 -0.23 0.00 0.00 178.00 178.59 1r6p h GLU 55 N 0.00 0.13 -0.06 0.86 4.39 -1.99 -3.00 114.58 114.91 1r6p h GLU 55 Ca -0.00 -0.23 -0.10 0.00 0.34 0.00 0.00 59.36 59.36 1r6p h GLU 55 Cb 1.12 0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.86 1r6p h GLU 55 CO 0.06 1.10 -0.36 1.49 -1.16 0.00 0.00 179.01 180.15 1r6p h GLU 56 N 0.04 0.36 -0.95 2.33 4.81 -1.93 -1.13 114.58 118.10 1r6p h GLU 56 Ca -0.08 -0.30 0.01 0.00 -0.13 0.00 0.00 59.36 58.86 1r6p h GLU 56 Cb 1.87 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 31.27 1r6p h GLU 56 CO 0.17 0.95 0.63 1.37 -0.73 0.00 0.00 179.01 181.39 1r6p h LEU 57 N -0.14 1.10 -0.31 1.64 8.10 -1.26 -0.16 115.31 124.28 1r6p h LEU 57 Ca -0.03 -0.03 -0.19 0.00 0.11 0.00 0.00 57.88 57.75 1r6p h LEU 57 Cb 1.02 -0.27 -0.02 0.00 -0.44 0.00 0.00 40.66 40.95 1r6p h LEU 57 CO 0.07 0.79 -0.85 -0.61 -4.11 0.00 0.00 178.44 173.73 1r6p h GLN 58 N 1.29 0.13 -0.37 0.17 5.75 -1.57 -2.87 115.11 117.65 1r6p h GLN 58 Ca 0.35 -0.15 -0.07 0.00 -0.15 0.00 0.00 58.65 58.63 1r6p h GLN 58 Cb -0.15 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 1r6p h GLN 58 CO -0.08 0.91 -0.05 0.93 -2.65 0.00 0.00 178.83 177.89 1r6p h GLU 59 N 0.07 0.69 -0.05 1.69 4.39 -0.52 -1.15 114.58 119.71 1r6p h GLU 59 Ca -0.03 -0.24 -0.07 0.00 0.34 0.00 0.00 59.36 59.35 1r6p h GLU 59 Cb 1.48 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.07 1r6p h GLU 59 CO 0.12 0.82 -0.32 0.00 -1.16 0.00 0.00 179.01 178.48 1r6p h MET 60 N 0.49 0.09 -0.05 2.33 -0.00 -1.09 -1.90 114.93 114.80 1r6p h MET 60 Ca 0.10 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.70 59.75 1r6p h MET 60 Cb 0.54 -0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 32.13 1r6p h MET 60 CO 0.03 0.40 -0.04 0.82 -0.00 0.00 0.00 176.91 178.13 1r6p h ILE 61 N 0.08 1.35 -0.33 -0.10 2.04 -1.26 -1.32 117.51 117.97 1r6p h ILE 61 Ca 0.01 -1.12 0.03 0.00 1.00 0.00 0.00 64.86 64.78 1r6p h ILE 61 Cb 0.61 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 1r6p h ILE 61 CO 0.04 0.31 0.22 -0.78 0.00 0.00 0.00 178.15 177.94 1r6p h ASP 62 N -0.30 0.29 -0.00 1.72 1.82 -1.02 0.57 116.42 119.50 1r6p h ASP 62 Ca 0.01 -0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1r6p h ASP 62 Cb 0.51 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.45 1r6p h ASP 62 CO 0.01 0.20 -0.01 -0.33 -1.61 0.00 0.00 179.24 177.50 1r6p h GLU 63 N 0.34 0.01 -0.29 0.28 5.08 -1.21 -3.31 114.58 115.48 1r6p h GLU 63 Ca 0.14 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.32 1r6p h GLU 63 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1r6p h GLU 63 CO -0.03 0.62 -0.49 -0.24 -1.00 0.00 0.00 179.01 177.87 1r6p h VAL 64 N -0.60 1.29 -2.15 3.13 3.04 -0.89 -3.40 116.25 116.67 1r6p h VAL 64 Ca -0.00 -1.68 -0.52 0.00 -1.01 0.00 0.00 66.70 63.49 1r6p h VAL 64 Cb 0.62 1.58 -0.05 0.00 -2.01 0.00 0.00 31.29 31.43 1r6p h VAL 64 CO 0.00 0.55 1.23 -0.62 -1.01 0.00 0.00 177.57 177.72 1r6p s ASP 65 N -6.91 5.64 0.22 3.17 -1.08 0.20 -4.84 116.67 113.07 1r6p s ASP 65 Ca -0.10 0.03 -0.08 0.00 -0.52 0.00 0.00 52.55 51.88 1r6p s ASP 65 Cb 0.11 -2.54 0.22 0.00 -1.46 0.00 0.00 42.92 39.25 1r6p s ASP 65 CO 0.87 -2.15 1.88 -0.33 0.52 0.00 0.00 175.17 175.96 1r6p h GLU 66 N 12.92 1.03 0.15 4.34 5.08 -1.82 -2.99 114.58 133.29 1r6p h GLU 66 Ca -0.27 -0.06 -0.33 0.00 -1.00 0.00 0.00 59.36 57.70 1r6p h GLU 66 Cb 1.12 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 1r6p h GLU 66 CO 1.24 0.68 -1.70 0.38 -1.00 0.00 0.00 179.01 178.61 1r6p h ASP 67 N 1.06 0.48 -3.77 1.42 2.03 -1.92 -3.49 116.42 112.23 1r6p h ASP 67 Ca 0.32 -0.74 -0.15 0.00 -0.73 0.00 0.00 57.03 55.72 1r6p h ASP 67 Cb -0.04 -0.16 0.08 0.00 -0.83 0.00 0.00 39.33 38.38 1r6p h ASP 67 CO -0.10 1.63 -0.37 0.61 -1.03 0.00 0.00 179.24 179.99 1r6p n GLY 68 N 1.79 0.05 0.34 7.15 0.00 -1.13 -4.94 105.19 108.45 1r6p n GLY 68 Ca -0.22 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 45.70 1r6p n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r6p n SER 69 N -2.04 1.01 -0.31 1.61 3.41 -1.26 -4.87 113.62 111.17 1r6p n SER 69 Ca -0.12 -1.79 -0.04 0.00 -0.26 0.00 0.00 58.87 56.66 1r6p n SER 69 Cb 0.58 -0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 1r6p n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r6p n GLY 70 N 0.90 0.70 2.96 5.00 0.00 -1.26 -5.01 105.19 108.48 1r6p n GLY 70 Ca 0.11 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.29 1r6p n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r6p s THR 71 N -2.11 -0.15 -0.22 2.61 -4.23 -1.26 -2.57 115.64 107.70 1r6p s THR 71 Ca 0.00 0.23 -0.18 0.00 -1.18 0.00 0.00 61.69 60.56 1r6p s THR 71 Cb 0.00 -0.33 -0.03 0.00 1.34 0.00 0.00 72.50 73.48 1r6p s THR 71 CO 0.00 0.09 0.50 -0.69 -0.54 0.00 0.00 174.62 173.98 1r6p s VAL 72 N 1.64 5.10 0.56 2.29 1.01 -0.82 -4.83 120.40 125.36 1r6p s VAL 72 Ca -0.05 0.89 -0.07 0.00 0.00 0.00 0.00 61.98 62.76 1r6p s VAL 72 Cb -0.11 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1r6p s VAL 72 CO -0.07 0.15 0.89 -1.81 0.00 0.00 0.00 175.10 174.27 1r6p s ASP 73 N 1.28 5.94 0.43 3.32 1.11 -1.26 -1.01 116.67 126.49 1r6p s ASP 73 Ca 0.22 0.94 0.12 0.00 0.18 0.00 0.00 52.55 54.02 1r6p s ASP 73 Cb -0.15 -2.05 1.00 0.00 1.07 0.00 0.00 42.92 42.78 1r6p s ASP 73 CO 0.09 -0.87 2.01 0.15 1.18 0.00 0.00 175.17 177.73 1r6p h PHE 74 N -0.09 0.43 -0.36 4.23 3.57 -1.98 0.72 116.94 123.46 1r6p h PHE 74 Ca -0.46 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 60.97 1r6p h PHE 74 Cb 1.23 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1r6p h PHE 74 CO 0.55 0.23 -0.11 0.22 -2.23 0.00 0.00 178.31 176.97 1r6p h ASP 75 N 0.42 0.71 0.53 0.41 1.82 -1.96 -1.54 116.42 116.81 1r6p h ASP 75 Ca 0.22 -0.38 -0.12 0.00 -0.39 0.00 0.00 57.03 56.36 1r6p h ASP 75 Cb 0.34 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.14 1r6p h ASP 75 CO -0.06 0.92 -0.57 -0.33 -1.61 0.00 0.00 179.24 177.59 1r6p h GLU 76 N 0.49 0.05 0.13 0.28 5.08 -1.54 -1.51 114.58 117.55 1r6p h GLU 76 Ca 0.09 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1r6p h GLU 76 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1r6p h GLU 76 CO 0.04 0.60 -0.06 0.35 -1.00 0.00 0.00 179.01 178.94 1r6p h PHE 77 N 0.04 -0.16 -0.07 4.33 3.57 0.64 -1.79 116.94 123.49 1r6p h PHE 77 Ca -0.00 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 1r6p h PHE 77 Cb 1.02 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 1r6p h PHE 77 CO 0.00 0.06 -0.51 -0.07 -2.23 0.00 0.00 178.31 175.56 1r6p h LEU 78 N -0.36 0.19 -0.16 0.59 4.07 -1.29 -3.14 115.31 115.22 1r6p h LEU 78 Ca -0.02 -0.09 -0.00 0.00 0.08 0.00 0.00 57.88 57.85 1r6p h LEU 78 Cb 0.29 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 1r6p h LEU 78 CO 0.03 0.67 0.09 0.58 -1.08 0.00 0.00 178.44 178.73 1r6p h VAL 79 N 0.14 1.07 -1.13 1.22 2.07 -1.16 -2.33 116.25 116.13 1r6p h VAL 79 Ca 0.00 -0.18 0.33 0.00 0.82 0.00 0.00 66.70 67.67 1r6p h VAL 79 Cb 0.95 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1r6p h VAL 79 CO 0.08 0.07 0.93 -0.03 0.02 0.00 0.00 177.57 178.63 1r6p h MET 80 N 0.18 0.00 0.80 1.57 -1.53 -1.27 -1.04 114.93 113.63 1r6p h MET 80 Ca 0.06 0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.28 1r6p h MET 80 Cb 0.03 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.09 1r6p h MET 80 CO -0.01 0.00 -0.38 1.98 0.14 0.00 0.00 176.91 178.64 1r6p h MET 81 N 0.00 -1.03 -0.04 0.39 -1.53 -1.53 -2.86 114.93 108.34 1r6p h MET 81 Ca 0.54 0.07 -0.02 0.00 -3.44 0.00 0.00 59.70 56.84 1r6p h MET 81 Cb 2.39 0.23 -0.00 0.00 -0.55 0.00 0.00 31.60 33.67 1r6p h MET 81 CO -0.01 -0.68 -0.09 -0.39 0.14 0.00 0.00 176.91 175.89 1r6p h VAL 82 N -1.25 1.09 -0.67 -5.77 -1.51 -1.33 0.42 116.25 107.23 1r6p h VAL 82 Ca -0.11 -0.40 0.05 0.00 -1.23 0.00 0.00 66.70 65.01 1r6p h VAL 82 Cb 0.83 1.16 -0.04 0.00 -2.13 0.00 0.00 31.29 31.11 1r6p h VAL 82 CO 0.18 0.12 0.44 0.03 -1.23 0.00 0.00 177.57 177.11 1r6p h ARG 83 N 0.05 0.72 0.00 5.19 3.08 -1.22 -1.76 114.38 120.45 1r6p h ARG 83 Ca 0.01 -0.04 -0.35 0.00 0.07 0.00 0.00 59.98 59.67 1r6p h ARG 83 Cb 0.19 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.02 1r6p h ARG 83 CO 0.01 0.48 -2.31 0.00 -1.07 0.00 0.00 179.97 177.08 1r6p h MET 85 N 0.00 -0.72 -6.04 0.00 -1.53 -0.14 -3.40 114.93 103.10 1r6p h MET 85 Ca -0.52 0.05 -0.56 0.00 -3.44 0.00 0.00 59.70 55.23 1r6p h MET 85 Cb 2.00 0.16 -0.09 0.00 -0.55 0.00 0.00 31.60 33.13 1r6p h MET 85 CO -0.02 -0.48 -0.56 -1.59 0.14 0.00 0.00 176.91 174.41 1r6p s LYS 86 N -6.01 2.25 -1.82 0.39 -2.85 -0.67 -4.60 119.74 106.43 1r6p s LYS 86 Ca -0.17 -1.66 0.00 0.00 -1.00 0.00 0.00 55.97 53.14 1r6p s LYS 86 Cb 0.04 -2.06 0.00 0.00 -2.06 0.00 0.00 37.83 33.75 1r6p s LYS 86 CO 0.62 0.08 0.00 -3.47 0.10 0.00 0.00 175.35 172.68 1r6p n ASP 87 N -1.10 -4.91 0.02 0.03 2.03 -1.26 -4.53 116.55 106.84 1r6p n ASP 87 Ca -0.03 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.62 1r6p n ASP 87 Cb 0.62 -4.32 0.00 0.00 -0.72 0.00 0.00 41.12 36.71 1r6p n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1r6p n ASP 88 N -1.30 0.28 0.00 1.67 -0.08 -1.26 -4.99 116.55 110.87 1r6p n ASP 88 Ca -0.19 0.07 0.09 0.00 -1.51 0.00 0.00 54.79 53.25 1r6p n ASP 88 Cb 0.61 -0.06 0.54 0.00 2.34 0.00 0.00 41.12 44.55 1r6p n ASP 88 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08