#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 2.26 -0.15 7.83 3.02 -1.26 -4.63 115.26 122.33 1r6p n ASN 2 Ca 0.00 -3.82 0.15 0.00 -0.03 0.00 0.00 54.58 50.88 1r6p n ASN 2 Cb 0.00 -0.61 0.71 0.00 -0.61 0.00 0.00 39.78 39.27 1r6p n ASN 2 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1r6p n ASP 3 N -1.12 0.51 -0.00 6.41 5.75 -1.26 -4.03 116.55 122.80 1r6p n ASP 3 Ca 0.30 -0.87 0.19 0.00 -0.01 0.00 0.00 54.79 54.40 1r6p n ASP 3 Cb 0.95 -0.05 0.67 0.00 -1.03 0.00 0.00 41.12 41.66 1r6p n ASP 3 CO 0.00 0.00 0.00 0.16 -0.11 0.00 0.00 177.20 177.25 1r6p h ILE 4 N 0.72 0.75 0.09 2.12 -2.65 -1.98 0.54 117.51 117.10 1r6p h ILE 4 Ca 0.00 -0.01 -0.00 0.00 1.03 0.00 0.00 64.86 65.87 1r6p h ILE 4 Cb 0.27 0.71 0.00 0.00 -2.05 0.00 0.00 36.82 35.76 1r6p h ILE 4 CO 0.00 0.01 -0.04 1.88 0.03 0.00 0.00 178.15 180.03 1r6p h TYR 5 N 0.03 -0.11 0.00 0.16 -1.99 -1.98 -2.94 116.97 110.14 1r6p h TYR 5 Ca 0.25 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.98 1r6p h TYR 5 Cb 0.96 0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.73 1r6p h TYR 5 CO -0.00 0.25 -0.01 1.63 -0.00 0.00 0.00 178.16 180.04 1r6p n LYS 6 N -4.97 0.13 0.10 4.88 5.02 -0.78 -3.39 118.16 119.15 1r6p n LYS 6 Ca -0.08 0.11 -0.05 0.00 -2.02 0.00 0.00 58.31 56.27 1r6p n LYS 6 Cb 0.22 -1.65 0.06 0.00 -0.02 0.00 0.00 35.03 33.63 1r6p n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r6p h ALA 7 N 2.76 0.71 0.09 7.82 0.00 0.15 -2.73 119.26 128.07 1r6p h ALA 7 Ca 0.00 -0.68 -0.18 0.00 0.00 0.00 0.00 54.91 54.05 1r6p h ALA 7 Cb 0.62 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.32 1r6p h ALA 7 CO 0.00 0.92 -0.75 0.00 0.00 0.00 0.00 179.25 179.43 1r6p h ALA 8 N 1.19 -0.03 0.00 0.00 0.00 -1.53 -3.07 119.26 115.82 1r6p h ALA 8 Ca -0.01 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 1r6p h ALA 8 Cb 1.35 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1r6p h ALA 8 CO 0.11 0.38 -0.16 -0.24 0.00 0.00 0.00 179.25 179.33 1r6p h VAL 9 N -0.24 0.74 0.00 0.00 3.04 -1.63 0.23 116.25 118.38 1r6p h VAL 9 Ca -0.12 -0.64 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 1r6p h VAL 9 Cb 1.52 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 32.19 1r6p h VAL 9 CO 0.14 0.16 -0.17 1.05 -1.01 0.00 0.00 177.57 177.73 1r6p h GLU 10 N 0.00 0.00 0.00 4.17 4.11 -1.54 -3.33 114.58 117.99 1r6p h GLU 10 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 1r6p h GLU 10 Cb 0.38 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.46 1r6p h GLU 10 CO 0.02 0.00 -0.71 0.00 0.07 0.00 0.00 179.01 178.40 1r6p n GLN 11 N -2.86 0.77 -1.63 1.06 10.64 -0.77 -5.09 117.38 119.49 1r6p n GLN 11 Ca 0.04 -2.53 -0.30 0.00 -1.83 0.00 0.00 57.00 52.37 1r6p n GLN 11 Cb 0.51 -0.83 0.22 0.00 -0.86 0.00 0.00 30.24 29.28 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 -1.58 1.99 0.52 2.61 0.05 0.75 -4.99 118.68 118.03 1r6p s LEU 12 Ca 0.33 0.32 -0.03 0.00 0.05 0.00 0.00 54.13 54.80 1r6p s LEU 12 Cb 0.35 -2.19 -0.00 0.00 -2.05 0.00 0.00 46.19 42.30 1r6p s LEU 12 CO -0.10 -3.34 0.80 0.42 -0.55 0.00 0.00 176.35 173.57 1r6p s THR 13 N -3.61 3.90 0.35 5.48 -4.23 -1.26 -4.99 115.64 111.28 1r6p s THR 13 Ca 0.74 -0.18 0.11 0.00 -1.18 0.00 0.00 61.69 61.18 1r6p s THR 13 Cb -0.05 -3.50 0.08 0.00 1.34 0.00 0.00 72.50 70.37 1r6p s THR 13 CO 0.54 -0.45 1.79 -0.78 -0.54 0.00 0.00 174.62 175.19 1r6p h ASP 14 N 0.09 0.07 0.01 3.99 3.58 -2.00 -2.43 116.42 119.73 1r6p h ASP 14 Ca -0.46 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 56.91 1r6p h ASP 14 Cb 1.25 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.27 1r6p h ASP 14 CO 0.59 0.44 -0.15 -0.33 -2.88 0.00 0.00 179.24 176.91 1r6p h GLU 15 N 0.06 0.29 -0.18 0.28 4.39 -1.98 -1.20 114.58 116.23 1r6p h GLU 15 Ca 0.00 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.47 1r6p h GLU 15 Cb 0.70 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1r6p h GLU 15 CO 0.05 0.44 -0.51 1.96 -1.16 0.00 0.00 179.01 179.79 1r6p h GLN 16 N 0.27 0.67 -0.52 2.33 4.20 -1.84 0.17 115.11 120.39 1r6p h GLN 16 Ca 0.05 -0.48 0.02 0.00 0.06 0.00 0.00 58.65 58.31 1r6p h GLN 16 Cb 0.43 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 1r6p h GLN 16 CO 0.03 1.10 0.32 0.87 -0.67 0.00 0.00 178.83 180.47 1r6p h LYS 17 N 0.35 0.62 0.00 1.46 1.79 -1.19 -1.86 116.57 117.74 1r6p h LYS 17 Ca -0.01 -0.04 -0.13 0.00 -2.18 0.00 0.00 60.65 58.29 1r6p h LYS 17 Cb 1.13 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.62 1r6p h LYS 17 CO 0.11 0.41 -0.62 -0.91 -1.08 0.00 0.00 179.45 177.36 1r6p h ASN 18 N 0.64 0.00 -0.43 0.86 2.35 -1.19 0.11 115.58 117.92 1r6p h ASN 18 Ca 0.20 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 56.01 1r6p h ASN 18 Cb -0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 1r6p h ASN 18 CO -0.08 0.62 0.14 -0.08 -1.65 0.00 0.00 177.43 176.37 1r6p h GLU 19 N 0.00 0.29 0.09 0.81 4.81 0.16 0.70 114.58 121.44 1r6p h GLU 19 Ca -0.01 -0.02 -0.31 0.00 -0.13 0.00 0.00 59.36 58.89 1r6p h GLU 19 Cb 1.11 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1r6p h GLU 19 CO 0.08 0.19 -1.69 0.74 -0.73 0.00 0.00 179.01 177.60 1r6p h PHE 20 N 0.29 0.36 -0.69 0.92 -1.00 -1.46 -3.35 116.94 112.02 1r6p h PHE 20 Ca 0.20 -0.27 0.10 0.00 2.81 0.00 0.00 57.97 60.82 1r6p h PHE 20 Cb 0.21 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 39.71 1r6p h PHE 20 CO -0.16 1.67 0.46 -0.22 -1.61 0.00 0.00 178.31 178.44 1r6p h LYS 21 N -0.27 0.51 0.22 1.51 3.11 -0.76 0.52 116.57 121.41 1r6p h LYS 21 Ca -0.38 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.42 1r6p h LYS 21 Cb 1.80 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.92 1r6p h LYS 21 CO 0.01 0.34 -0.11 0.00 -2.81 0.00 0.00 179.45 176.88 1r6p h ALA 22 N 1.65 -0.30 -0.38 5.00 0.00 -1.01 0.33 119.26 124.55 1r6p h ALA 22 Ca 0.32 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1r6p h ALA 22 Cb 0.55 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1r6p h ALA 22 CO -0.10 -0.64 -0.10 0.00 0.00 0.00 0.00 179.25 178.41 1r6p h ALA 23 N 0.41 1.11 -0.24 0.00 0.00 -1.49 -2.73 119.26 116.33 1r6p h ALA 23 Ca -0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1r6p h ALA 23 Cb 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1r6p h ALA 23 CO 0.05 0.55 0.14 0.35 0.00 0.00 0.00 179.25 180.34 1r6p h PHE 24 N 0.61 0.32 -0.58 0.00 3.04 0.39 0.20 116.94 120.92 1r6p h PHE 24 Ca 0.11 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.09 1r6p h PHE 24 Cb 0.53 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.89 1r6p h PHE 24 CO 0.02 0.26 0.34 0.22 -2.02 0.00 0.00 178.31 177.14 1r6p h ASP 25 N 0.29 0.54 0.09 0.41 1.82 -0.13 0.47 116.42 119.91 1r6p h ASP 25 Ca 0.09 0.01 -0.18 0.00 -0.39 0.00 0.00 57.03 56.55 1r6p h ASP 25 Cb 0.04 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 39.95 1r6p h ASP 25 CO -0.01 0.37 -0.67 0.16 -1.61 0.00 0.00 179.24 177.48 1r6p h ILE 26 N 0.67 1.34 -0.00 2.25 3.07 -1.33 -2.14 117.51 121.36 1r6p h ILE 26 Ca 0.24 -1.98 -0.22 0.00 1.55 0.00 0.00 64.86 64.45 1r6p h ILE 26 Cb 0.06 1.96 -0.00 0.00 -0.27 0.00 0.00 36.82 38.56 1r6p h ILE 26 CO -0.12 0.61 -0.91 -0.26 -1.05 0.00 0.00 178.15 176.42 1r6p h PHE 27 N 0.38 0.53 -1.14 0.16 0.04 -0.65 -3.28 116.94 112.98 1r6p h PHE 27 Ca -0.02 -0.29 -0.63 0.00 2.80 0.00 0.00 57.97 59.83 1r6p h PHE 27 Cb 1.25 -0.06 -0.36 0.00 2.20 0.00 0.00 35.95 38.98 1r6p h PHE 27 CO 0.05 1.10 0.05 1.51 -0.60 0.00 0.00 178.31 180.42 1r6p n ILE 28 N -3.73 3.04 -0.01 -0.55 0.13 0.16 -4.68 119.36 113.71 1r6p n ILE 28 Ca -0.06 -3.91 -0.17 0.00 -1.10 0.00 0.00 62.75 57.52 1r6p n ILE 28 Cb 0.82 -1.18 -0.13 0.00 -0.84 0.00 0.00 39.64 38.31 1r6p n ILE 28 CO 0.00 0.00 0.00 -0.61 2.80 0.00 0.00 176.55 178.74 1r6p h GLN 29 N 2.30 0.16 -0.00 9.51 4.15 -1.45 -3.31 115.11 126.47 1r6p h GLN 29 Ca 0.47 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.65 1r6p h GLN 29 Cb 0.97 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1r6p h GLN 29 CO 1.16 1.08 -0.01 -0.25 -1.93 0.00 0.00 178.83 178.87 1r6p n ASP 30 N -4.40 0.46 -4.95 -0.69 9.92 -1.26 -4.86 116.55 110.77 1r6p n ASP 30 Ca -0.11 -1.04 -0.26 0.00 -0.53 0.00 0.00 54.79 52.85 1r6p n ASP 30 Cb 0.62 -0.02 -0.03 0.00 -0.64 0.00 0.00 41.12 41.04 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 -2.09 3.94 -0.28 2.24 0.00 -1.25 -5.03 121.76 119.30 1r6p s ALA 31 Ca 0.42 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 51.43 1r6p s ALA 31 Cb 0.21 -1.81 0.45 0.00 0.00 0.00 0.00 23.12 21.98 1r6p s ALA 31 CO 0.38 0.48 1.20 0.39 0.00 0.00 0.00 175.76 178.20 1r6p n GLU 32 N -0.68 3.34 0.01 0.00 -0.58 -1.26 -4.71 120.64 116.76 1r6p n GLU 32 Ca -0.07 -4.05 0.00 0.00 -0.42 0.00 0.00 57.16 52.62 1r6p n GLU 32 Cb 0.54 -2.19 0.00 0.00 -0.57 0.00 0.00 31.44 29.22 1r6p n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1r6p n ASP 33 N -0.77 0.12 0.00 1.62 -0.08 -1.26 -5.08 116.55 111.10 1r6p n ASP 33 Ca 0.41 0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.72 1r6p n ASP 33 Cb 0.93 -0.02 0.00 0.00 2.34 0.00 0.00 41.12 44.37 1r6p n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1r6p n GLY 34 N 2.64 0.96 3.04 0.27 0.00 -1.26 -5.13 105.19 105.70 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 1.72 2.00 -0.47 0.00 -5.25 -0.74 -4.75 121.20 113.71 1r6p s ILE 36 Ca -0.05 0.00 -0.24 0.00 -0.99 0.00 0.00 60.65 59.37 1r6p s ILE 36 Cb -0.11 -2.98 0.03 0.00 2.95 0.00 0.00 42.46 42.35 1r6p s ILE 36 CO -0.09 0.00 0.85 -0.55 -1.79 0.00 0.00 174.94 173.36 1r6p s SER 37 N -4.53 6.43 0.27 4.36 0.15 -1.26 -1.73 113.70 117.38 1r6p s SER 37 Ca 0.62 -0.08 -0.00 0.00 0.70 0.00 0.00 55.95 57.19 1r6p s SER 37 Cb -0.11 -2.41 0.54 0.00 -1.71 0.00 0.00 66.02 62.32 1r6p s SER 37 CO 0.50 -1.00 1.78 0.71 1.20 0.00 0.00 173.24 176.43 1r6p h THR 38 N 6.02 0.78 0.00 6.45 1.35 -1.87 0.21 112.91 125.85 1r6p h THR 38 Ca -0.25 -0.25 -0.01 0.00 -0.55 0.00 0.00 66.41 65.36 1r6p h THR 38 Cb 1.08 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.50 1r6p h THR 38 CO 1.00 0.13 -0.03 0.07 -0.25 0.00 0.00 175.52 176.44 1r6p h LYS 39 N 0.72 0.00 -0.63 4.72 2.10 -1.91 -1.07 116.57 120.50 1r6p h LYS 39 Ca 0.47 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 59.03 1r6p h LYS 39 Cb 0.61 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.89 1r6p h LYS 39 CO -0.33 0.03 0.11 0.39 -2.00 0.00 0.00 179.45 177.64 1r6p n GLU 40 N -4.26 4.33 0.31 0.07 1.02 0.71 -4.58 120.64 118.24 1r6p n GLU 40 Ca -0.03 -3.13 0.14 0.00 -0.02 0.00 0.00 57.16 54.13 1r6p n GLU 40 Cb 0.11 -2.23 0.77 0.00 -0.02 0.00 0.00 31.44 30.08 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 3.34 0.00 -1.67 -4.62 7.12 -0.74 -2.19 115.31 116.56 1r6p h LEU 41 Ca 0.11 0.00 0.20 0.00 0.13 0.00 0.00 57.88 58.32 1r6p h LEU 41 Cb 2.11 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 42.19 1r6p h LEU 41 CO 0.58 0.00 0.58 1.23 -0.13 0.00 0.00 178.44 180.70 1r6p h GLY 42 N 0.00 0.59 2.00 3.75 0.00 -1.84 0.37 103.07 107.94 1r6p h GLY 42 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 1r6p h GLY 42 CO 0.00 0.00 -0.20 0.07 0.00 0.00 0.00 176.54 176.41 1r6p h LYS 43 N 0.28 0.00 0.05 4.80 2.10 -1.79 -2.39 116.57 119.62 1r6p h LYS 43 Ca 0.43 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.73 1r6p h LYS 43 Cb 1.23 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.52 1r6p h LYS 43 CO -0.12 0.20 -1.95 0.28 -2.00 0.00 0.00 179.45 175.86 1r6p n VAL 44 N -3.62 1.64 -0.24 0.07 0.31 0.94 -3.87 118.33 113.55 1r6p n VAL 44 Ca -0.01 -0.44 0.04 0.00 -0.01 0.00 0.00 64.34 63.92 1r6p n VAL 44 Cb 0.33 -1.78 0.16 0.00 -0.91 0.00 0.00 33.84 31.64 1r6p n VAL 44 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1r6p h MET 45 N -0.37 0.42 -0.15 5.55 2.86 -0.46 0.58 114.93 123.38 1r6p h MET 45 Ca -0.47 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.10 1r6p h MET 45 Cb 1.76 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 33.31 1r6p h MET 45 CO -0.09 0.28 -0.15 0.07 1.06 0.00 0.00 176.91 178.08 1r6p h ARG 46 N 0.44 0.24 0.01 1.72 0.11 -1.18 0.57 114.38 116.29 1r6p h ARG 46 Ca 0.38 -0.06 -0.21 0.00 0.10 0.00 0.00 59.98 60.19 1r6p h ARG 46 Cb 0.55 -0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.57 1r6p h ARG 46 CO -0.38 0.39 -1.01 0.52 0.10 0.00 0.00 179.97 179.59 1r6p h MET 47 N 0.22 0.03 0.00 0.08 2.86 -0.89 -3.25 114.93 113.98 1r6p h MET 47 Ca 0.04 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 1r6p h MET 47 Cb 0.40 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1r6p h MET 47 CO 0.02 1.01 -0.61 -0.07 1.06 0.00 0.00 176.91 178.33 1r6p h LEU 48 N 0.01 0.00 0.00 1.22 4.07 0.47 -3.47 115.31 117.61 1r6p h LEU 48 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1r6p h LEU 48 Cb 1.77 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.51 1r6p h LEU 48 CO 0.14 0.61 0.00 0.61 -1.08 0.00 0.00 178.44 178.72 1r6p n GLY 49 N 0.75 1.91 3.23 0.83 0.00 -0.35 -5.08 105.19 106.48 1r6p n GLY 49 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.25 1.03 -0.42 1.61 -1.52 0.19 -5.01 119.66 115.29 1r6p s GLN 50 Ca 0.00 -1.46 0.08 0.00 -1.95 0.00 0.00 55.36 52.04 1r6p s GLN 50 Cb 0.00 -0.44 0.29 0.00 -0.22 0.00 0.00 33.01 32.65 1r6p s GLN 50 CO 0.00 -0.01 0.80 -1.71 -0.25 0.00 0.00 175.29 174.12 1r6p n ASN 51 N -0.18 -0.86 -2.21 5.90 2.85 -1.26 -2.63 115.26 116.87 1r6p n ASN 51 Ca -0.10 -3.16 0.00 0.00 -0.11 0.00 0.00 54.58 51.22 1r6p n ASN 51 Cb 0.61 0.49 0.00 0.00 1.24 0.00 0.00 39.78 42.12 1r6p n ASN 51 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1r6p n PRO 52 N 0.87 1.39 -3.88 1.20 -0.04 -1.26 -5.12 135.00 128.15 1r6p n PRO 52 Ca 0.16 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.38 1r6p n PRO 52 Cb 0.63 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.05 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 0.41 2.16 0.19 0.52 -4.23 -1.26 -4.95 115.64 108.48 1r6p s THR 53 Ca 0.00 -1.52 0.17 0.00 -1.18 0.00 0.00 61.69 59.16 1r6p s THR 53 Cb 0.00 -2.68 0.09 0.00 1.34 0.00 0.00 72.50 71.25 1r6p s THR 53 CO 0.00 0.00 1.70 1.55 -0.54 0.00 0.00 174.62 177.33 1r6p h PRO 54 N 1.06 0.00 0.15 3.99 0.13 -1.99 0.19 132.00 135.53 1r6p h PRO 54 Ca -0.40 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.43 1r6p h PRO 54 Cb 1.28 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.41 1r6p h PRO 54 CO 0.62 0.44 -1.35 0.93 -0.23 0.00 0.00 178.00 178.40 1r6p h GLU 55 N 0.00 0.32 -0.04 0.86 5.08 -1.98 -3.03 114.58 115.78 1r6p h GLU 55 Ca -0.00 -0.54 -0.09 0.00 -1.00 0.00 0.00 59.36 57.72 1r6p h GLU 55 Cb 0.95 0.20 0.01 0.00 0.50 0.00 0.00 28.75 30.41 1r6p h GLU 55 CO 0.06 1.24 -0.34 1.49 -1.00 0.00 0.00 179.01 180.46 1r6p h GLU 56 N 0.09 0.30 -0.28 2.33 4.57 -1.94 -3.24 114.58 116.41 1r6p h GLU 56 Ca -0.18 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 57.71 1r6p h GLU 56 Cb 2.02 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 30.66 1r6p h GLU 56 CO 0.21 0.94 0.11 1.37 -1.18 0.00 0.00 179.01 180.46 1r6p h LEU 57 N -0.24 0.35 -1.61 1.64 8.10 -1.09 -1.85 115.31 120.60 1r6p h LEU 57 Ca -0.03 -0.03 -0.01 0.00 0.11 0.00 0.00 57.88 57.92 1r6p h LEU 57 Cb 1.02 -0.09 -0.02 0.00 -0.44 0.00 0.00 40.66 41.14 1r6p h LEU 57 CO 0.07 0.32 0.16 1.56 -4.11 0.00 0.00 178.44 176.43 1r6p h GLN 58 N 0.39 0.41 0.10 0.17 1.08 -1.56 -1.93 115.11 113.77 1r6p h GLN 58 Ca 0.10 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1r6p h GLN 58 Cb 0.08 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1r6p h GLN 58 CO -0.01 0.31 -0.05 0.93 -0.95 0.00 0.00 178.83 179.07 1r6p h GLU 59 N 0.42 -0.13 0.00 1.46 5.08 -1.38 0.43 114.58 120.46 1r6p h GLU 59 Ca 0.11 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1r6p h GLU 59 Cb 0.03 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1r6p h GLU 59 CO -0.02 0.02 -0.25 0.00 -1.00 0.00 0.00 179.01 177.76 1r6p h MET 60 N -0.24 0.00 -0.09 2.33 -0.00 -1.53 -2.06 114.93 113.34 1r6p h MET 60 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.66 1r6p h MET 60 Cb 0.20 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.80 1r6p h MET 60 CO 0.02 0.25 -0.05 0.82 -0.00 0.00 0.00 176.91 177.95 1r6p h ILE 61 N 0.00 1.33 -0.43 -0.10 1.08 -1.01 -1.10 117.51 117.28 1r6p h ILE 61 Ca -0.00 -1.10 0.01 0.00 -0.39 0.00 0.00 64.86 63.38 1r6p h ILE 61 Cb 0.44 1.87 -0.02 0.00 -3.07 0.00 0.00 36.82 36.04 1r6p h ILE 61 CO 0.03 0.31 0.29 0.44 -0.69 0.00 0.00 178.15 178.53 1r6p h ASP 62 N -0.18 0.47 0.11 1.72 5.19 -0.63 0.60 116.42 123.70 1r6p h ASP 62 Ca 0.02 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 1r6p h ASP 62 Cb 0.52 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.91 1r6p h ASP 62 CO 0.02 0.34 -0.05 -0.33 -3.12 0.00 0.00 179.24 176.09 1r6p h GLU 63 N 0.56 -0.14 -0.35 3.56 5.08 -1.24 -3.30 114.58 118.75 1r6p h GLU 63 Ca 0.16 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.40 1r6p h GLU 63 Cb -0.02 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1r6p h GLU 63 CO -0.04 0.32 -0.31 -0.24 -1.00 0.00 0.00 179.01 177.75 1r6p h VAL 64 N -0.68 1.28 -3.12 3.13 3.04 -0.95 -3.41 116.25 115.53 1r6p h VAL 64 Ca -0.01 -1.45 -0.56 0.00 -1.01 0.00 0.00 66.70 63.66 1r6p h VAL 64 Cb 0.53 1.34 -0.05 0.00 -2.01 0.00 0.00 31.29 31.10 1r6p h VAL 64 CO 0.02 0.48 1.10 -0.62 -1.01 0.00 0.00 177.57 177.54 1r6p s ASP 65 N -6.80 6.23 0.06 3.17 -1.08 0.21 -4.87 116.67 113.59 1r6p s ASP 65 Ca -0.09 0.73 -0.16 0.00 -0.52 0.00 0.00 52.55 52.51 1r6p s ASP 65 Cb 0.12 -2.54 -0.17 0.00 -1.46 0.00 0.00 42.92 38.87 1r6p s ASP 65 CO 0.84 -1.53 1.25 -0.33 0.52 0.00 0.00 175.17 175.92 1r6p h GLU 66 N 11.04 0.59 0.18 4.34 4.39 -1.82 -3.30 114.58 130.01 1r6p h GLU 66 Ca -0.28 -0.48 -0.31 0.00 0.34 0.00 0.00 59.36 58.63 1r6p h GLU 66 Cb 1.11 0.10 0.03 0.00 -0.10 0.00 0.00 28.75 29.89 1r6p h GLU 66 CO 1.10 1.11 -1.35 0.38 -1.16 0.00 0.00 179.01 179.09 1r6p h ASP 67 N 0.23 0.75 -3.14 1.42 2.03 -1.94 -3.49 116.42 112.28 1r6p h ASP 67 Ca -0.04 -0.76 -0.12 0.00 -0.73 0.00 0.00 57.03 55.38 1r6p h ASP 67 Cb 1.22 -0.24 0.06 0.00 -0.83 0.00 0.00 39.33 39.53 1r6p h ASP 67 CO 0.12 1.58 -0.26 0.61 -1.03 0.00 0.00 179.24 180.26 1r6p n GLY 68 N 1.56 0.22 0.19 7.15 0.00 -1.25 -4.95 105.19 108.12 1r6p n GLY 68 Ca -0.14 -0.29 0.15 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.35 0.65 0.00 1.61 3.41 -1.26 -4.90 113.62 111.79 1r6p n SER 69 Ca -0.08 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 1r6p n SER 69 Cb 0.55 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 1.18 0.38 2.99 5.00 0.00 -1.26 -5.04 105.19 108.45 1r6p n GLY 70 Ca 0.18 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.01 -0.26 2.61 -4.23 -1.26 -2.97 115.64 107.53 1r6p s THR 71 Ca 0.00 0.02 -0.15 0.00 -1.18 0.00 0.00 61.69 60.38 1r6p s THR 71 Cb 0.00 -0.19 -0.04 0.00 1.34 0.00 0.00 72.50 73.61 1r6p s THR 71 CO 0.00 0.01 0.37 -0.69 -0.54 0.00 0.00 174.62 173.77 1r6p s VAL 72 N 0.19 5.18 0.62 2.29 1.01 -0.71 -4.86 120.40 124.12 1r6p s VAL 72 Ca -0.01 0.58 -0.04 0.00 0.00 0.00 0.00 61.98 62.52 1r6p s VAL 72 Cb -0.02 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.70 1r6p s VAL 72 CO -0.00 0.17 0.90 -1.81 0.00 0.00 0.00 175.10 174.35 1r6p s ASP 73 N 1.57 5.15 0.36 3.32 1.11 -1.26 -1.79 116.67 125.13 1r6p s ASP 73 Ca 0.15 0.34 0.04 0.00 0.18 0.00 0.00 52.55 53.26 1r6p s ASP 73 Cb -0.16 -1.16 0.69 0.00 1.07 0.00 0.00 42.92 43.37 1r6p s ASP 73 CO 0.10 -1.31 1.99 0.15 1.18 0.00 0.00 175.17 177.27 1r6p h PHE 74 N -0.26 0.77 -0.54 4.23 3.57 -1.98 0.72 116.94 123.45 1r6p h PHE 74 Ca -0.44 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 60.97 1r6p h PHE 74 Cb 1.30 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 1r6p h PHE 74 CO 0.38 0.45 -0.08 0.38 -2.23 0.00 0.00 178.31 177.20 1r6p h ASP 75 N 0.80 0.98 0.60 0.41 2.03 -1.97 -0.84 116.42 118.44 1r6p h ASP 75 Ca 0.26 -0.31 -0.16 0.00 -0.73 0.00 0.00 57.03 56.09 1r6p h ASP 75 Cb 0.06 -0.27 -0.02 0.00 -0.83 0.00 0.00 39.33 38.28 1r6p h ASP 75 CO -0.07 1.08 -0.73 -0.33 -1.03 0.00 0.00 179.24 178.16 1r6p h GLU 76 N 0.89 0.10 0.24 4.15 5.08 -1.63 -1.77 114.58 121.64 1r6p h GLU 76 Ca 0.14 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1r6p h GLU 76 Cb 0.63 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1r6p h GLU 76 CO 0.04 0.79 -0.11 0.35 -1.00 0.00 0.00 179.01 179.08 1r6p h PHE 77 N 0.07 -0.29 -0.29 4.33 3.57 0.75 -1.07 116.94 124.00 1r6p h PHE 77 Ca -0.02 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.37 1r6p h PHE 77 Cb 1.29 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 1r6p h PHE 77 CO 0.01 -0.02 -0.28 -0.07 -2.23 0.00 0.00 178.31 175.73 1r6p h LEU 78 N -0.55 0.61 0.17 0.59 4.07 -1.22 -3.12 115.31 115.86 1r6p h LEU 78 Ca -0.03 -0.22 -0.01 0.00 0.08 0.00 0.00 57.88 57.70 1r6p h LEU 78 Cb 0.41 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.98 1r6p h LEU 78 CO 0.05 0.86 -0.08 0.58 -1.08 0.00 0.00 178.44 178.77 1r6p h VAL 79 N 0.52 0.86 -1.26 1.22 2.07 -1.27 -2.18 116.25 116.20 1r6p h VAL 79 Ca 0.07 -0.08 0.36 0.00 0.82 0.00 0.00 66.70 67.87 1r6p h VAL 79 Cb 0.74 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 1r6p h VAL 79 CO 0.06 0.02 0.90 -0.03 0.02 0.00 0.00 177.57 178.54 1r6p h MET 80 N -0.26 0.01 0.65 1.57 -1.53 -1.12 0.11 114.93 114.35 1r6p h MET 80 Ca -0.02 -0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.20 1r6p h MET 80 Cb 0.20 -0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.26 1r6p h MET 80 CO 0.04 0.01 -0.31 1.98 0.14 0.00 0.00 176.91 178.76 1r6p h MET 81 N 0.01 -0.84 0.00 0.39 -1.53 -1.39 -2.70 114.93 108.87 1r6p h MET 81 Ca 0.60 0.06 -0.06 0.00 -3.44 0.00 0.00 59.70 56.86 1r6p h MET 81 Cb 2.38 0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 33.62 1r6p h MET 81 CO -0.02 -0.52 -0.27 -0.39 0.14 0.00 0.00 176.91 175.85 1r6p h VAL 82 N -1.04 1.12 -0.06 -5.77 -1.51 -1.14 -2.24 116.25 105.61 1r6p h VAL 82 Ca -0.09 -0.96 0.02 0.00 -1.23 0.00 0.00 66.70 64.44 1r6p h VAL 82 Cb 0.71 1.53 -0.00 0.00 -2.13 0.00 0.00 31.29 31.39 1r6p h VAL 82 CO 0.15 0.27 0.05 0.03 -1.23 0.00 0.00 177.57 176.83 1r6p h ARG 83 N 0.00 0.00 0.16 5.19 3.08 -0.71 0.30 114.38 122.40 1r6p h ARG 83 Ca -0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 1r6p h ARG 83 Cb 0.50 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.58 1r6p h ARG 83 CO 0.04 0.00 -1.00 0.00 -1.07 0.00 0.00 179.97 177.94 1r6p h MET 85 N -0.28 -1.07 0.00 0.00 2.86 -1.30 -3.46 114.93 111.69 1r6p h MET 85 Ca -0.18 0.07 -0.34 0.00 -2.06 0.00 0.00 59.70 57.19 1r6p h MET 85 Cb 1.75 0.24 0.06 0.00 0.06 0.00 0.00 31.60 33.71 1r6p h MET 85 CO 0.16 -0.71 0.09 1.17 1.06 0.00 0.00 176.91 178.68 1r6p n LYS 86 N -5.37 0.08 -2.89 1.72 4.81 0.05 -4.81 118.16 111.74 1r6p n LYS 86 Ca -0.14 -1.99 -0.07 0.00 -0.87 0.00 0.00 58.31 55.24 1r6p n LYS 86 Cb 0.44 -0.49 0.01 0.00 0.02 0.00 0.00 35.03 35.01 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 -2.94 -7.92 -1.50 3.14 2.03 -1.26 -4.64 116.55 103.46 1r6p n ASP 87 Ca 0.12 0.45 0.00 0.00 0.52 0.00 0.00 54.79 55.89 1r6p n ASP 87 Cb 0.43 -5.36 0.08 0.00 -0.72 0.00 0.00 41.12 35.56 1r6p n ASP 87 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1r6p n ASP 88 N -0.50 1.80 0.00 1.67 5.68 -1.26 -4.89 116.55 119.06 1r6p n ASP 88 Ca 0.10 -2.82 0.00 0.00 -0.50 0.00 0.00 54.79 51.58 1r6p n ASP 88 Cb 0.47 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1r6p n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63