#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 0.68 -1.70 7.83 6.94 -1.26 -4.88 115.26 122.88 1r6p n ASN 2 Ca 0.00 -2.01 -0.16 0.00 -0.02 0.00 0.00 54.58 52.40 1r6p n ASN 2 Cb 0.00 -0.20 0.16 0.00 -2.36 0.00 0.00 39.78 37.38 1r6p n ASN 2 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1r6p n ASP 3 N 0.29 3.73 0.05 0.53 9.92 -1.26 -4.54 116.55 125.28 1r6p n ASP 3 Ca 0.00 -3.74 -0.13 0.00 -0.53 0.00 0.00 54.79 50.39 1r6p n ASP 3 Cb 1.04 -0.71 -0.14 0.00 -0.64 0.00 0.00 41.12 40.68 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 1.11 1.25 -0.44 0.53 -0.00 -1.98 -2.01 117.51 115.97 1r6p h ILE 4 Ca 0.40 -2.94 -0.07 0.00 -0.00 0.00 0.00 64.86 62.25 1r6p h ILE 4 Cb 1.87 2.73 -0.02 0.00 -0.00 0.00 0.00 36.82 41.40 1r6p h ILE 4 CO 0.78 0.80 -0.03 1.88 -0.00 0.00 0.00 178.15 181.58 1r6p h TYR 5 N 0.04 0.78 0.00 0.16 0.05 -1.98 -2.45 116.97 113.57 1r6p h TYR 5 Ca -0.19 -0.11 -0.21 0.00 0.05 0.00 0.00 58.73 58.26 1r6p h TYR 5 Cb 1.95 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 39.45 1r6p h TYR 5 CO 0.04 0.75 -1.21 0.87 -1.05 0.00 0.00 178.16 177.56 1r6p h LYS 6 N 0.68 0.00 -0.65 4.88 1.57 -1.88 -3.24 116.57 117.93 1r6p h LYS 6 Ca 0.13 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1r6p h LYS 6 Cb 0.47 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1r6p h LYS 6 CO 0.02 0.68 0.15 0.00 -0.57 0.00 0.00 179.45 179.73 1r6p h ALA 7 N 1.13 0.86 -0.20 3.86 0.00 -1.12 0.42 119.26 124.20 1r6p h ALA 7 Ca -0.12 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1r6p h ALA 7 Cb 1.77 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 1r6p h ALA 7 CO 0.09 0.58 -0.21 0.00 0.00 0.00 0.00 179.25 179.72 1r6p h ALA 8 N 1.06 0.29 0.00 0.00 0.00 -1.57 -2.28 119.26 116.77 1r6p h ALA 8 Ca 0.20 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1r6p h ALA 8 Cb 0.37 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1r6p h ALA 8 CO 0.00 0.23 -0.06 -0.24 0.00 0.00 0.00 179.25 179.19 1r6p h VAL 9 N 0.16 0.18 0.00 0.00 3.04 -1.57 0.68 116.25 118.75 1r6p h VAL 9 Ca 0.03 -0.59 -0.06 0.00 -1.01 0.00 0.00 66.70 65.07 1r6p h VAL 9 Cb 0.75 1.49 -0.01 0.00 -2.01 0.00 0.00 31.29 31.52 1r6p h VAL 9 CO 0.05 0.06 -0.48 -0.33 -1.01 0.00 0.00 177.57 175.86 1r6p h GLU 10 N 0.00 0.00 0.00 4.17 5.08 -0.70 -3.34 114.58 119.79 1r6p h GLU 10 Ca -0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1r6p h GLU 10 Cb 0.49 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.60 1r6p h GLU 10 CO 0.01 0.24 -0.69 0.00 -1.00 0.00 0.00 179.01 177.57 1r6p n GLN 11 N -3.08 0.99 -0.98 2.33 10.64 -0.87 -5.07 117.38 121.33 1r6p n GLN 11 Ca 0.01 -2.80 -0.30 0.00 -1.83 0.00 0.00 57.00 52.09 1r6p n GLN 11 Cb 0.65 -1.01 0.23 0.00 -0.86 0.00 0.00 30.24 29.25 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 -2.02 0.71 0.41 2.61 0.05 0.18 -4.99 118.68 115.63 1r6p s LEU 12 Ca 0.36 0.86 0.08 0.00 0.05 0.00 0.00 54.13 55.48 1r6p s LEU 12 Cb 0.37 -2.68 -0.03 0.00 -2.05 0.00 0.00 46.19 41.80 1r6p s LEU 12 CO -0.10 -4.04 0.33 0.42 -0.55 0.00 0.00 176.35 172.41 1r6p s THR 13 N -2.87 2.65 0.25 5.48 -4.23 -1.26 -5.02 115.64 110.64 1r6p s THR 13 Ca 0.69 -1.42 0.02 0.00 -1.18 0.00 0.00 61.69 59.81 1r6p s THR 13 Cb -0.14 -3.01 -0.01 0.00 1.34 0.00 0.00 72.50 70.69 1r6p s THR 13 CO 0.57 -0.01 1.61 0.44 -0.54 0.00 0.00 174.62 176.69 1r6p h ASP 14 N 1.12 0.40 0.25 3.99 5.19 -1.99 -2.03 116.42 123.35 1r6p h ASP 14 Ca -0.42 -0.19 -0.14 0.00 -0.62 0.00 0.00 57.03 55.66 1r6p h ASP 14 Cb 1.26 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.65 1r6p h ASP 14 CO 0.60 0.82 -0.55 -0.33 -3.12 0.00 0.00 179.24 176.66 1r6p h GLU 15 N 0.30 0.32 0.03 3.56 5.08 -1.97 0.75 114.58 122.66 1r6p h GLU 15 Ca 0.02 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1r6p h GLU 15 Cb 0.95 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1r6p h GLU 15 CO 0.08 0.79 -0.02 0.37 -1.00 0.00 0.00 179.01 179.23 1r6p h GLN 16 N 0.25 -0.04 -0.21 2.33 4.15 -1.90 -1.71 115.11 117.99 1r6p h GLN 16 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.28 1r6p h GLN 16 Cb 1.04 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 1r6p h GLN 16 CO 0.09 0.33 -0.47 1.57 -1.93 0.00 0.00 178.83 178.43 1r6p h LYS 17 N -0.42 0.53 -0.31 1.69 2.10 -1.39 -2.92 116.57 115.85 1r6p h LYS 17 Ca -0.00 -0.29 -0.03 0.00 -2.00 0.00 0.00 60.65 58.32 1r6p h LYS 17 Cb 0.39 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.72 1r6p h LYS 17 CO 0.01 0.89 0.05 -0.91 -2.00 0.00 0.00 179.45 177.48 1r6p h ASN 18 N 0.43 0.41 -0.34 7.07 4.21 -0.83 0.40 115.58 126.92 1r6p h ASN 18 Ca 0.03 -0.06 0.05 0.00 1.21 0.00 0.00 56.30 57.53 1r6p h ASN 18 Cb 0.98 -0.11 -0.05 0.00 -1.12 0.00 0.00 38.32 38.02 1r6p h ASN 18 CO 0.09 0.44 0.07 -0.08 -1.29 0.00 0.00 177.43 176.66 1r6p h GLU 19 N 0.44 0.18 0.09 0.81 4.81 -1.10 0.14 114.58 119.96 1r6p h GLU 19 Ca 0.10 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.20 1r6p h GLU 19 Cb 0.21 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.57 1r6p h GLU 19 CO -0.00 0.12 -0.55 0.74 -0.73 0.00 0.00 179.01 178.60 1r6p h PHE 20 N 0.19 0.36 -0.91 0.92 0.04 -1.52 -3.33 116.94 112.69 1r6p h PHE 20 Ca 0.16 -0.26 0.22 0.00 2.80 0.00 0.00 57.97 60.89 1r6p h PHE 20 Cb 0.18 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.25 1r6p h PHE 20 CO -0.18 1.21 0.61 -0.22 -0.60 0.00 0.00 178.31 179.13 1r6p h LYS 21 N -0.58 0.32 0.36 1.51 3.11 -0.10 0.36 116.57 121.55 1r6p h LYS 21 Ca -0.10 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.72 1r6p h LYS 21 Cb 1.43 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.58 1r6p h LYS 21 CO 0.10 0.21 -0.26 0.00 -2.81 0.00 0.00 179.45 176.69 1r6p h ALA 22 N 1.60 -0.61 -0.50 5.00 0.00 -1.07 0.47 119.26 124.16 1r6p h ALA 22 Ca 0.47 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.16 1r6p h ALA 22 Cb 1.31 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 1r6p h ALA 22 CO -0.16 -0.86 -0.14 0.00 0.00 0.00 0.00 179.25 178.09 1r6p h ALA 23 N -0.04 0.81 -0.81 0.00 0.00 -1.40 -2.80 119.26 115.01 1r6p h ALA 23 Ca -0.03 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1r6p h ALA 23 Cb 0.52 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1r6p h ALA 23 CO 0.01 0.66 0.51 0.35 0.00 0.00 0.00 179.25 180.78 1r6p h PHE 24 N 0.85 0.95 -0.18 0.00 3.04 0.02 -0.13 116.94 121.48 1r6p h PHE 24 Ca 0.13 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.08 1r6p h PHE 24 Cb 0.69 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.88 1r6p h PHE 24 CO 0.04 0.52 0.02 0.22 -2.02 0.00 0.00 178.31 177.10 1r6p h ASP 25 N 0.97 0.30 -0.20 0.41 1.82 0.10 0.18 116.42 120.00 1r6p h ASP 25 Ca 0.34 -0.27 -0.11 0.00 -0.39 0.00 0.00 57.03 56.59 1r6p h ASP 25 Cb 0.08 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 39.99 1r6p h ASP 25 CO -0.14 0.50 -0.25 0.16 -1.61 0.00 0.00 179.24 177.90 1r6p h ILE 26 N 0.09 1.27 0.01 2.25 3.07 -1.27 -2.42 117.51 120.52 1r6p h ILE 26 Ca 0.05 -1.34 -0.20 0.00 1.55 0.00 0.00 64.86 64.92 1r6p h ILE 26 Cb 0.33 1.28 -0.02 0.00 -0.27 0.00 0.00 36.82 38.14 1r6p h ILE 26 CO 0.01 0.44 -0.95 -0.26 -1.05 0.00 0.00 178.15 176.33 1r6p h PHE 27 N 0.59 0.08 -0.95 0.16 0.04 -0.99 -3.24 116.94 112.64 1r6p h PHE 27 Ca 0.08 -0.05 -0.63 0.00 2.80 0.00 0.00 57.97 60.16 1r6p h PHE 27 Cb 0.73 -0.01 -0.30 0.00 2.20 0.00 0.00 35.95 38.57 1r6p h PHE 27 CO 0.03 0.97 0.61 1.51 -0.60 0.00 0.00 178.31 180.83 1r6p n ILE 28 N -3.47 3.42 -0.07 -0.55 0.00 0.64 -4.55 119.36 114.79 1r6p n ILE 28 Ca -0.01 -2.99 -0.12 0.00 0.00 0.00 0.00 62.75 59.63 1r6p n ILE 28 Cb 0.88 -1.06 -0.11 0.00 0.00 0.00 0.00 39.64 39.35 1r6p n ILE 28 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1r6p h GLN 29 N 1.89 0.00 -0.01 9.51 4.15 -1.46 -3.33 115.11 125.87 1r6p h GLN 29 Ca 0.57 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.99 1r6p h GLN 29 Cb 1.14 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.83 1r6p h GLN 29 CO 1.41 0.84 -0.02 -0.25 -1.93 0.00 0.00 178.83 178.88 1r6p n ASP 30 N -4.63 0.82 -4.94 -0.69 9.92 -1.26 -4.87 116.55 110.90 1r6p n ASP 30 Ca -0.09 -1.21 -0.27 0.00 -0.53 0.00 0.00 54.79 52.69 1r6p n ASP 30 Cb 0.41 -0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.85 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 -2.06 3.94 -0.22 2.24 0.00 -1.25 -5.03 121.76 119.38 1r6p s ALA 31 Ca 0.41 -0.94 0.16 0.00 0.00 0.00 0.00 51.96 51.58 1r6p s ALA 31 Cb 0.21 -1.85 0.46 0.00 0.00 0.00 0.00 23.12 21.95 1r6p s ALA 31 CO 0.37 0.57 1.17 -0.85 0.00 0.00 0.00 175.76 177.01 1r6p n GLU 32 N -0.41 2.09 -0.02 0.00 0.28 -1.26 -4.77 120.64 116.55 1r6p n GLU 32 Ca -0.06 -3.46 -0.02 0.00 -0.16 0.00 0.00 57.16 53.45 1r6p n GLU 32 Cb 0.53 -1.59 -0.02 0.00 1.43 0.00 0.00 31.44 31.80 1r6p n GLU 32 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1r6p n ASP 33 N -0.56 3.43 0.00 -1.84 9.92 -1.26 -5.06 116.55 121.18 1r6p n ASP 33 Ca 0.22 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 1r6p n ASP 33 Cb 0.90 -0.06 0.00 0.00 -0.64 0.00 0.00 41.12 41.32 1r6p n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r6p n GLY 34 N 3.29 0.94 3.34 0.44 0.00 -1.26 -5.13 105.19 106.81 1r6p n GLY 34 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 0.26 2.14 -0.43 0.00 -5.25 -0.07 -4.81 121.20 113.05 1r6p s ILE 36 Ca -0.00 -0.48 -0.21 0.00 -0.99 0.00 0.00 60.65 58.97 1r6p s ILE 36 Cb -0.03 -2.66 0.02 0.00 2.95 0.00 0.00 42.46 42.74 1r6p s ILE 36 CO 0.00 0.00 0.63 -0.55 -1.79 0.00 0.00 174.94 173.24 1r6p s SER 37 N -4.74 6.33 0.26 4.36 0.15 -1.26 -2.09 113.70 116.71 1r6p s SER 37 Ca 0.67 -0.30 -0.02 0.00 0.70 0.00 0.00 55.95 57.00 1r6p s SER 37 Cb -0.06 -2.32 0.47 0.00 -1.71 0.00 0.00 66.02 62.41 1r6p s SER 37 CO 0.46 -0.75 1.82 0.71 1.20 0.00 0.00 173.24 176.67 1r6p h THR 38 N 5.85 0.91 0.00 6.45 1.35 -1.87 0.19 112.91 125.79 1r6p h THR 38 Ca -0.26 -0.30 -0.02 0.00 -0.55 0.00 0.00 66.41 65.29 1r6p h THR 38 Cb 1.10 -0.04 -0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1r6p h THR 38 CO 0.88 0.16 -0.08 0.07 -0.25 0.00 0.00 175.52 176.30 1r6p h LYS 39 N 0.87 0.00 -0.54 4.72 2.10 -1.92 -1.18 116.57 120.63 1r6p h LYS 39 Ca 0.44 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.98 1r6p h LYS 39 Cb 0.42 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.69 1r6p h LYS 39 CO -0.26 0.08 0.11 0.39 -2.00 0.00 0.00 179.45 177.77 1r6p n GLU 40 N -4.08 3.55 0.26 0.07 1.02 0.56 -4.53 120.64 117.48 1r6p n GLU 40 Ca -0.03 -3.05 0.10 0.00 -0.02 0.00 0.00 57.16 54.16 1r6p n GLU 40 Cb 0.17 -2.09 0.68 0.00 -0.02 0.00 0.00 31.44 30.18 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 2.53 0.00 -1.89 -4.62 6.46 -0.09 -1.79 115.31 115.90 1r6p h LEU 41 Ca 0.14 0.00 0.12 0.00 -0.12 0.00 0.00 57.88 58.01 1r6p h LEU 41 Cb 1.96 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.87 1r6p h LEU 41 CO 0.52 0.11 0.34 1.23 -0.62 0.00 0.00 178.44 180.02 1r6p h GLY 42 N 0.53 0.17 2.00 3.75 0.00 -1.81 0.34 103.07 108.05 1r6p h GLY 42 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1r6p h GLY 42 CO 0.01 0.03 -0.14 0.50 0.00 0.00 0.00 176.54 176.94 1r6p h LYS 43 N 0.12 0.00 0.05 4.80 1.57 -1.69 -1.62 116.57 119.80 1r6p h LYS 43 Ca 0.23 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.68 1r6p h LYS 43 Cb 0.74 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.01 1r6p h LYS 43 CO -0.03 0.14 -1.88 1.33 -0.57 0.00 0.00 179.45 178.44 1r6p n VAL 44 N -3.49 1.66 -0.24 0.50 0.24 0.10 -3.90 118.33 113.20 1r6p n VAL 44 Ca -0.01 -0.74 -0.06 0.00 -2.04 0.00 0.00 64.34 61.49 1r6p n VAL 44 Cb 0.29 -1.28 0.05 0.00 -1.47 0.00 0.00 33.84 31.43 1r6p n VAL 44 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1r6p h MET 45 N 0.03 0.95 -0.58 7.34 2.86 -0.79 -0.22 114.93 124.52 1r6p h MET 45 Ca -0.36 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.19 1r6p h MET 45 Cb 2.03 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 33.48 1r6p h MET 45 CO 0.07 0.72 0.38 0.07 1.06 0.00 0.00 176.91 179.22 1r6p h ARG 46 N 0.93 0.68 -0.00 1.72 0.11 -0.10 0.44 114.38 118.16 1r6p h ARG 46 Ca 0.24 -0.04 -0.18 0.00 0.10 0.00 0.00 59.98 60.10 1r6p h ARG 46 Cb 0.05 -0.15 -0.02 0.00 1.11 0.00 0.00 29.97 30.96 1r6p h ARG 46 CO -0.04 0.45 -0.82 0.52 0.10 0.00 0.00 179.97 180.18 1r6p h MET 47 N 0.70 0.12 -0.02 0.08 2.86 -1.49 -3.19 114.93 113.98 1r6p h MET 47 Ca 0.23 -0.12 -0.18 0.00 -2.06 0.00 0.00 59.70 57.57 1r6p h MET 47 Cb 0.05 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1r6p h MET 47 CO -0.06 0.87 -0.78 -0.07 1.06 0.00 0.00 176.91 177.93 1r6p h LEU 48 N 0.07 0.24 0.00 1.22 4.07 0.21 -3.47 115.31 117.65 1r6p h LEU 48 Ca -0.03 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.76 1r6p h LEU 48 Cb 1.44 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 43.10 1r6p h LEU 48 CO 0.12 0.93 0.00 0.61 -1.08 0.00 0.00 178.44 179.02 1r6p n GLY 49 N 0.67 1.37 3.11 0.83 0.00 0.71 -5.09 105.19 106.79 1r6p n GLY 49 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.67 -0.42 1.61 -0.21 0.12 -4.98 119.66 116.45 1r6p s GLN 50 Ca 0.00 -1.04 0.07 0.00 0.02 0.00 0.00 55.36 54.41 1r6p s GLN 50 Cb 0.00 -0.22 0.24 0.00 1.00 0.00 0.00 33.01 34.03 1r6p s GLN 50 CO 0.00 0.01 0.60 0.27 -2.12 0.00 0.00 175.29 174.05 1r6p n ASN 51 N 0.71 -0.65 -2.33 5.90 6.94 -1.26 -1.05 115.26 123.52 1r6p n ASN 51 Ca -0.17 -2.81 0.00 0.00 -0.02 0.00 0.00 54.58 51.57 1r6p n ASN 51 Cb 0.58 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.97 1r6p n ASN 51 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1r6p n PRO 52 N 1.59 1.52 -3.28 -0.53 -0.04 -1.26 -5.10 135.00 127.90 1r6p n PRO 52 Ca 0.19 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.45 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 0.45 2.65 0.17 0.52 -4.23 -1.26 -4.98 115.64 108.96 1r6p s THR 53 Ca 0.00 -1.16 0.18 0.00 -1.18 0.00 0.00 61.69 59.53 1r6p s THR 53 Cb 0.00 -2.81 0.12 0.00 1.34 0.00 0.00 72.50 71.15 1r6p s THR 53 CO 0.00 0.00 1.72 1.55 -0.54 0.00 0.00 174.62 177.35 1r6p h PRO 54 N 0.72 0.00 0.13 3.99 0.13 -1.99 -1.96 132.00 133.02 1r6p h PRO 54 Ca -0.39 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.46 1r6p h PRO 54 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1r6p h PRO 54 CO 0.50 0.39 -1.28 0.93 -0.23 0.00 0.00 178.00 178.31 1r6p h GLU 55 N 0.00 0.27 -0.05 0.86 5.08 -1.98 -2.75 114.58 116.02 1r6p h GLU 55 Ca -0.00 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 1r6p h GLU 55 Cb 0.92 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1r6p h GLU 55 CO 0.05 1.21 -0.02 0.93 -1.00 0.00 0.00 179.01 180.18 1r6p h GLU 56 N 0.07 0.10 -0.28 2.33 4.39 -1.93 -2.95 114.58 116.32 1r6p h GLU 56 Ca -0.15 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.44 1r6p h GLU 56 Cb 1.98 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.61 1r6p h GLU 56 CO 0.20 0.49 -0.11 1.37 -1.16 0.00 0.00 179.01 179.80 1r6p h LEU 57 N -0.29 0.45 -1.18 1.33 8.10 -1.48 -2.67 115.31 119.56 1r6p h LEU 57 Ca 0.01 -0.11 0.01 0.00 0.11 0.00 0.00 57.88 57.91 1r6p h LEU 57 Cb 0.46 -0.12 -0.04 0.00 -0.44 0.00 0.00 40.66 40.51 1r6p h LEU 57 CO 0.01 0.60 0.56 -0.61 -4.11 0.00 0.00 178.44 174.88 1r6p h GLN 58 N 0.44 1.09 -0.76 0.17 5.75 -1.45 -0.26 115.11 120.09 1r6p h GLN 58 Ca 0.08 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.48 1r6p h GLN 58 Cb 0.46 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 1r6p h GLN 58 CO 0.03 0.72 0.32 0.93 -2.65 0.00 0.00 178.83 178.18 1r6p h GLU 59 N 1.12 1.13 -0.47 1.69 5.08 -1.30 0.88 114.58 122.71 1r6p h GLU 59 Ca 0.31 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 1r6p h GLU 59 Cb -0.10 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 28.94 1r6p h GLU 59 CO -0.07 0.91 -0.15 0.52 -1.00 0.00 0.00 179.01 179.21 1r6p h MET 60 N 1.10 0.91 -0.06 2.33 2.86 -1.30 -2.49 114.93 118.28 1r6p h MET 60 Ca 0.26 -0.34 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1r6p h MET 60 Cb 0.19 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1r6p h MET 60 CO -0.02 0.99 0.02 0.82 1.06 0.00 0.00 176.91 179.78 1r6p h ILE 61 N 0.80 1.18 -0.84 -1.22 2.04 -0.62 -2.17 117.51 116.67 1r6p h ILE 61 Ca 0.12 -0.54 0.12 0.00 1.00 0.00 0.00 64.86 65.56 1r6p h ILE 61 Cb 0.69 1.44 -0.06 0.00 -0.74 0.00 0.00 36.82 38.15 1r6p h ILE 61 CO 0.05 0.15 0.55 -0.78 0.00 0.00 0.00 178.15 178.12 1r6p h ASP 62 N -0.12 0.66 -0.36 1.72 3.58 -0.76 0.81 116.42 121.96 1r6p h ASP 62 Ca 0.02 0.03 -0.08 0.00 0.42 0.00 0.00 57.03 57.41 1r6p h ASP 62 Cb 0.23 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 1r6p h ASP 62 CO -0.00 0.37 -0.09 -0.33 -2.88 0.00 0.00 179.24 176.31 1r6p h GLU 63 N 0.71 0.69 0.07 0.28 4.39 -1.18 -3.23 114.58 116.32 1r6p h GLU 63 Ca 0.41 -0.27 -0.25 0.00 0.34 0.00 0.00 59.36 59.59 1r6p h GLU 63 Cb 0.58 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1r6p h GLU 63 CO -0.17 0.85 -1.17 -0.24 -1.16 0.00 0.00 179.01 177.12 1r6p h VAL 64 N 0.49 1.56 -2.84 3.13 3.04 -0.67 -3.44 116.25 117.51 1r6p h VAL 64 Ca 0.09 -3.20 -0.57 0.00 -1.01 0.00 0.00 66.70 62.01 1r6p h VAL 64 Cb 0.60 2.88 -0.03 0.00 -2.01 0.00 0.00 31.29 32.72 1r6p h VAL 64 CO 0.04 0.92 1.19 -0.62 -1.01 0.00 0.00 177.57 178.08 1r6p s ASP 65 N -6.92 6.13 0.04 3.17 -1.08 0.27 -4.88 116.67 113.41 1r6p s ASP 65 Ca -0.02 1.28 -0.21 0.00 -0.52 0.00 0.00 52.55 53.08 1r6p s ASP 65 Cb 0.08 -2.53 -0.14 0.00 -1.46 0.00 0.00 42.92 38.87 1r6p s ASP 65 CO 0.85 -1.52 1.39 -0.33 0.52 0.00 0.00 175.17 176.08 1r6p h GLU 66 N 11.76 0.31 0.03 4.34 5.08 -1.85 -3.32 114.58 130.92 1r6p h GLU 66 Ca -0.32 -0.14 -0.31 0.00 -1.00 0.00 0.00 59.36 57.58 1r6p h GLU 66 Cb 1.15 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 1r6p h GLU 66 CO 1.03 0.65 -1.82 -0.40 -1.00 0.00 0.00 179.01 177.47 1r6p n ASP 67 N -4.64 1.14 -0.93 1.42 5.75 -1.26 -5.02 116.55 113.02 1r6p n ASP 67 Ca -0.06 0.34 -0.01 0.00 -0.01 0.00 0.00 54.79 55.05 1r6p n ASP 67 Cb 0.30 -0.21 0.01 0.00 -1.03 0.00 0.00 41.12 40.19 1r6p n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1r6p n GLY 68 N 1.68 0.62 0.10 6.12 0.00 -1.25 -4.96 105.19 107.49 1r6p n GLY 68 Ca -0.22 -0.53 0.12 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.02 0.63 0.00 1.61 3.41 -1.26 -4.89 113.62 113.10 1r6p n SER 69 Ca -0.01 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1r6p n SER 69 Cb 0.51 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 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 0.83 0.67 2.84 5.00 0.00 -1.26 -5.06 105.19 108.20 1r6p n GLY 70 Ca 0.04 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.00 -0.05 -0.29 2.61 -4.23 -1.26 -2.83 115.64 107.59 1r6p s THR 71 Ca 0.00 0.19 -0.17 0.00 -1.18 0.00 0.00 61.69 60.53 1r6p s THR 71 Cb 0.00 -0.14 -0.02 0.00 1.34 0.00 0.00 72.50 73.68 1r6p s THR 71 CO 0.00 0.08 0.49 -0.69 -0.54 0.00 0.00 174.62 173.96 1r6p s VAL 72 N 1.05 5.07 0.72 2.29 1.01 -0.89 -4.83 120.40 124.83 1r6p s VAL 72 Ca -0.09 0.64 -0.10 0.00 0.00 0.00 0.00 61.98 62.43 1r6p s VAL 72 Cb -0.12 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.44 1r6p s VAL 72 CO -0.04 -0.01 1.09 -1.81 0.00 0.00 0.00 175.10 174.33 1r6p s ASP 73 N 1.64 5.16 0.50 3.32 1.11 -1.26 -0.89 116.67 126.25 1r6p s ASP 73 Ca 0.19 0.92 0.15 0.00 0.18 0.00 0.00 52.55 53.99 1r6p s ASP 73 Cb -0.16 -1.65 1.20 0.00 1.07 0.00 0.00 42.92 43.38 1r6p s ASP 73 CO 0.11 -1.48 2.13 0.15 1.18 0.00 0.00 175.17 177.26 1r6p h PHE 74 N -0.69 0.08 -0.23 4.23 3.57 -1.98 0.71 116.94 122.63 1r6p h PHE 74 Ca -0.45 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 60.95 1r6p h PHE 74 Cb 1.28 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 1r6p h PHE 74 CO 0.43 0.06 -0.24 -0.44 -2.23 0.00 0.00 178.31 175.88 1r6p h ASP 75 N 0.08 0.61 0.48 0.41 3.32 -1.94 -1.93 116.42 117.44 1r6p h ASP 75 Ca 0.02 -0.48 -0.12 0.00 0.02 0.00 0.00 57.03 56.47 1r6p h ASP 75 Cb 0.01 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1r6p h ASP 75 CO -0.00 0.97 -0.54 -0.33 -1.72 0.00 0.00 179.24 177.61 1r6p h GLU 76 N 0.26 0.07 0.01 3.56 5.08 -1.66 -0.56 114.58 121.35 1r6p h GLU 76 Ca 0.03 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1r6p h GLU 76 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1r6p h GLU 76 CO 0.06 0.59 -0.01 0.35 -1.00 0.00 0.00 179.01 179.01 1r6p h PHE 77 N 0.05 -0.01 -0.10 4.33 3.57 0.52 0.31 116.94 125.62 1r6p h PHE 77 Ca -0.00 -0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.33 1r6p h PHE 77 Cb 0.97 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1r6p h PHE 77 CO 0.01 0.20 -0.64 -0.07 -2.23 0.00 0.00 178.31 175.58 1r6p h LEU 78 N -0.23 0.42 -0.38 0.59 4.07 -1.34 -3.18 115.31 115.27 1r6p h LEU 78 Ca -0.00 -0.25 -0.02 0.00 0.08 0.00 0.00 57.88 57.69 1r6p h LEU 78 Cb 0.22 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 1r6p h LEU 78 CO 0.00 0.94 0.14 0.58 -1.08 0.00 0.00 178.44 179.03 1r6p h VAL 79 N 0.26 1.20 -1.07 1.22 2.07 -1.00 -2.48 116.25 116.45 1r6p h VAL 79 Ca -0.01 -0.63 0.31 0.00 0.82 0.00 0.00 66.70 67.19 1r6p h VAL 79 Cb 1.18 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 1r6p h VAL 79 CO 0.11 0.22 0.82 -0.03 0.02 0.00 0.00 177.57 178.70 1r6p h MET 80 N 0.46 0.00 0.38 1.57 -1.53 -0.90 0.10 114.93 115.01 1r6p h MET 80 Ca 0.12 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.37 1r6p h MET 80 Cb 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.26 1r6p h MET 80 CO -0.01 0.00 -0.18 1.98 0.14 0.00 0.00 176.91 178.84 1r6p h MET 81 N 0.00 -0.49 -0.04 0.39 -1.53 -1.53 -2.80 114.93 108.93 1r6p h MET 81 Ca 0.51 0.03 -0.09 0.00 -3.44 0.00 0.00 59.70 56.71 1r6p h MET 81 Cb 2.13 0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 33.28 1r6p h MET 81 CO -0.01 -0.21 -0.40 -0.39 0.14 0.00 0.00 176.91 176.04 1r6p h VAL 82 N -0.74 1.30 -0.62 -5.77 -1.51 -1.17 -2.75 116.25 105.00 1r6p h VAL 82 Ca -0.05 -1.43 0.10 0.00 -1.23 0.00 0.00 66.70 64.09 1r6p h VAL 82 Cb 0.51 1.72 -0.04 0.00 -2.13 0.00 0.00 31.29 31.35 1r6p h VAL 82 CO 0.09 0.42 0.41 0.03 -1.23 0.00 0.00 177.57 177.29 1r6p h ARG 83 N 0.08 0.39 -0.98 5.19 3.08 -0.77 0.24 114.38 121.61 1r6p h ARG 83 Ca 0.01 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.10 1r6p h ARG 83 Cb 0.75 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.64 1r6p h ARG 83 CO 0.06 0.26 0.63 0.00 -1.07 0.00 0.00 179.97 179.84 1r6p h MET 85 N 1.13 -0.07 -2.39 0.00 1.85 -1.17 -3.50 114.93 110.78 1r6p h MET 85 Ca 0.43 0.00 0.24 0.00 -0.61 0.00 0.00 59.70 59.77 1r6p h MET 85 Cb 0.19 0.02 -0.12 0.00 0.43 0.00 0.00 31.60 32.11 1r6p h MET 85 CO -0.18 0.56 -0.82 1.17 -0.40 0.00 0.00 176.91 177.23 1r6p n LYS 86 N -4.77 -2.26 -1.41 0.39 4.81 -0.19 -4.71 118.16 110.02 1r6p n LYS 86 Ca -0.08 1.82 -0.18 0.00 -0.87 0.00 0.00 58.31 59.00 1r6p n LYS 86 Cb 0.32 -2.66 0.10 0.00 0.02 0.00 0.00 35.03 32.81 1r6p n LYS 86 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1r6p n ASP 87 N -3.64 4.51 -0.13 3.14 2.03 -1.26 -4.60 116.55 116.59 1r6p n ASP 87 Ca -0.06 -3.78 -0.20 0.00 0.52 0.00 0.00 54.79 51.28 1r6p n ASP 87 Cb 0.47 -0.58 -0.11 0.00 -0.72 0.00 0.00 41.12 40.17 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 -0.92 2.02 0.00 1.67 -0.08 -1.26 -5.12 116.55 112.86 1r6p n ASP 88 Ca 0.43 -0.05 0.03 0.00 -1.51 0.00 0.00 54.79 53.70 1r6p n ASP 88 Cb 0.93 -0.47 0.19 0.00 2.34 0.00 0.00 41.12 44.10 1r6p n ASP 88 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12