#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 -5.84 -0.99 6.12 5.03 -1.26 -4.88 115.26 113.44 1r6p n ASN 2 Ca 0.00 -0.59 0.10 0.00 0.87 0.00 0.00 54.58 54.97 1r6p n ASN 2 Cb 0.00 -4.62 0.27 0.00 -1.02 0.00 0.00 39.78 34.40 1r6p n ASN 2 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 1r6p n ASP 3 N -2.90 2.91 0.25 6.41 5.75 -1.26 -4.23 116.55 123.47 1r6p n ASP 3 Ca 0.01 -1.94 0.10 0.00 -0.01 0.00 0.00 54.79 52.95 1r6p n ASP 3 Cb 0.55 -0.28 0.64 0.00 -1.03 0.00 0.00 41.12 41.00 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 3.48 0.73 -0.01 2.12 -2.65 -2.01 -2.11 117.51 117.07 1r6p h ILE 4 Ca 0.00 -0.65 -0.19 0.00 1.03 0.00 0.00 64.86 65.05 1r6p h ILE 4 Cb 0.78 1.40 -0.01 0.00 -2.05 0.00 0.00 36.82 36.93 1r6p h ILE 4 CO 0.00 0.16 -0.82 1.88 0.03 0.00 0.00 178.15 179.40 1r6p h TYR 5 N 0.00 0.29 0.00 0.16 0.05 -1.96 -3.12 116.97 112.40 1r6p h TYR 5 Ca -0.00 -0.15 -0.02 0.00 0.05 0.00 0.00 58.73 58.61 1r6p h TYR 5 Cb 0.38 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 38.08 1r6p h TYR 5 CO 0.00 0.93 -0.09 -0.22 -1.05 0.00 0.00 178.16 177.73 1r6p h LYS 6 N 0.12 0.00 -0.82 4.88 3.64 -1.66 -2.42 116.57 120.31 1r6p h LYS 6 Ca -0.04 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1r6p h LYS 6 Cb 1.42 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.21 1r6p h LYS 6 CO 0.13 0.09 0.38 0.00 -2.27 0.00 0.00 179.45 177.78 1r6p h ALA 7 N 1.91 1.12 -0.04 5.00 0.00 -1.51 -0.79 119.26 124.94 1r6p h ALA 7 Ca -0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 1r6p h ALA 7 Cb 0.20 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1r6p h ALA 7 CO 0.01 0.66 -0.47 0.00 0.00 0.00 0.00 179.25 179.45 1r6p h ALA 8 N 1.24 0.11 0.00 0.00 0.00 -1.58 -3.07 119.26 115.95 1r6p h ALA 8 Ca 0.28 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1r6p h ALA 8 Cb 0.14 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1r6p h ALA 8 CO -0.03 0.29 -0.05 -0.24 0.00 0.00 0.00 179.25 179.21 1r6p h VAL 9 N -0.11 0.22 0.00 0.00 3.04 -1.43 0.24 116.25 118.21 1r6p h VAL 9 Ca -0.05 -0.42 -0.02 0.00 -1.01 0.00 0.00 66.70 65.21 1r6p h VAL 9 Cb 1.16 1.33 -0.00 0.00 -2.01 0.00 0.00 31.29 31.77 1r6p h VAL 9 CO 0.09 0.05 -0.26 -0.33 -1.01 0.00 0.00 177.57 176.11 1r6p h GLU 10 N 0.00 0.00 -0.17 4.17 5.08 -1.12 -3.34 114.58 119.20 1r6p h GLU 10 Ca -0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1r6p h GLU 10 Cb 0.33 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 29.27 1r6p h GLU 10 CO 0.01 0.08 -0.92 0.00 -1.00 0.00 0.00 179.01 177.18 1r6p n GLN 11 N -3.05 1.10 -1.59 2.33 10.64 -0.75 -5.09 117.38 120.97 1r6p n GLN 11 Ca 0.03 -2.84 -0.29 0.00 -1.83 0.00 0.00 57.00 52.07 1r6p n GLN 11 Cb 0.57 -0.94 0.22 0.00 -0.86 0.00 0.00 30.24 29.22 1r6p n GLN 11 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 1r6p n LEU 12 N -0.22 0.00 -4.74 2.61 -0.00 0.76 -4.99 117.00 110.42 1r6p n LEU 12 Ca 0.13 -1.33 -0.24 0.00 -0.00 0.00 0.00 56.01 54.57 1r6p n LEU 12 Cb 0.95 -0.99 -0.07 0.00 -0.00 0.00 0.00 43.42 43.32 1r6p n LEU 12 CO 0.03 -1.66 -0.17 0.42 -0.00 0.00 0.00 177.39 176.01 1r6p s THR 13 N -3.55 2.67 0.28 1.47 -4.23 -1.26 -5.02 115.64 106.00 1r6p s THR 13 Ca 0.72 -1.68 0.04 0.00 -1.18 0.00 0.00 61.69 59.59 1r6p s THR 13 Cb -0.03 -2.97 0.05 0.00 1.34 0.00 0.00 72.50 70.88 1r6p s THR 13 CO 0.52 -0.09 1.70 -0.78 -0.54 0.00 0.00 174.62 175.43 1r6p h ASP 14 N 1.47 0.37 0.14 3.99 3.58 -1.99 -2.15 116.42 121.83 1r6p h ASP 14 Ca -0.43 -0.14 -0.15 0.00 0.42 0.00 0.00 57.03 56.73 1r6p h ASP 14 Cb 1.25 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.19 1r6p h ASP 14 CO 0.66 0.70 -0.53 -0.33 -2.88 0.00 0.00 179.24 176.85 1r6p h GLU 15 N 0.31 0.42 0.03 0.28 4.39 -1.97 0.12 114.58 118.16 1r6p h GLU 15 Ca 0.04 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.48 1r6p h GLU 15 Cb 0.76 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1r6p h GLU 15 CO 0.06 0.85 -0.02 0.37 -1.16 0.00 0.00 179.01 179.11 1r6p h GLN 16 N 0.33 -0.04 -0.07 2.33 4.15 -1.87 -0.96 115.11 118.98 1r6p h GLN 16 Ca 0.01 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.30 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 0.19 -0.55 1.57 -1.93 0.00 0.00 178.83 178.20 1r6p h LYS 17 N -0.27 0.21 -0.42 1.69 2.10 -1.40 -2.93 116.57 115.55 1r6p h LYS 17 Ca -0.00 -0.13 -0.05 0.00 -2.00 0.00 0.00 60.65 58.47 1r6p h LYS 17 Cb 0.25 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.57 1r6p h LYS 17 CO 0.01 0.71 0.07 -0.91 -2.00 0.00 0.00 179.45 177.32 1r6p h ASN 18 N 0.16 0.60 -0.31 7.07 2.35 -0.63 0.40 115.58 125.23 1r6p h ASN 18 Ca 0.00 -0.10 0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1r6p h ASN 18 Cb 1.02 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 39.19 1r6p h ASN 18 CO 0.08 0.62 0.01 -0.08 -1.65 0.00 0.00 177.43 176.42 1r6p h GLU 19 N 0.62 0.10 0.08 0.81 4.81 -0.97 0.57 114.58 120.60 1r6p h GLU 19 Ca 0.14 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.21 1r6p h GLU 19 Cb 0.29 -0.02 0.02 0.00 0.63 0.00 0.00 28.75 29.66 1r6p h GLU 19 CO 0.00 0.07 -0.63 0.74 -0.73 0.00 0.00 179.01 178.46 1r6p h PHE 20 N 0.10 0.47 -0.96 0.92 -1.00 -1.54 -3.31 116.94 111.63 1r6p h PHE 20 Ca 0.15 -0.32 0.20 0.00 2.81 0.00 0.00 57.97 60.81 1r6p h PHE 20 Cb 0.19 -0.03 -0.08 0.00 3.61 0.00 0.00 35.95 39.63 1r6p h PHE 20 CO -0.21 1.21 0.61 -0.22 -1.61 0.00 0.00 178.31 178.09 1r6p h LYS 21 N -0.39 0.53 0.20 1.51 3.11 -0.07 0.54 116.57 122.01 1r6p h LYS 21 Ca -0.10 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.71 1r6p h LYS 21 Cb 1.44 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 32.54 1r6p h LYS 21 CO 0.12 0.35 -0.20 0.00 -2.81 0.00 0.00 179.45 176.91 1r6p h ALA 22 N 1.62 -0.40 -0.23 5.00 0.00 -0.97 0.16 119.26 124.43 1r6p h ALA 22 Ca 0.52 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.28 1r6p h ALA 22 Cb 1.10 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1r6p h ALA 22 CO -0.26 -0.75 -0.27 0.00 0.00 0.00 0.00 179.25 177.96 1r6p h ALA 23 N 0.32 1.10 -0.84 0.00 0.00 -1.29 -2.83 119.26 115.71 1r6p h ALA 23 Ca 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1r6p h ALA 23 Cb 0.40 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1r6p h ALA 23 CO -0.05 0.56 0.55 0.35 0.00 0.00 0.00 179.25 180.66 1r6p h PHE 24 N 0.40 1.04 -0.54 0.00 3.04 0.64 0.20 116.94 121.72 1r6p h PHE 24 Ca 0.06 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.00 1r6p h PHE 24 Cb 0.69 -0.35 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 1r6p h PHE 24 CO 0.02 0.64 0.21 0.22 -2.02 0.00 0.00 178.31 177.38 1r6p h ASP 25 N 1.11 0.75 -0.02 0.41 1.82 -0.47 0.22 116.42 120.24 1r6p h ASP 25 Ca 0.32 -0.17 -0.24 0.00 -0.39 0.00 0.00 57.03 56.54 1r6p h ASP 25 Cb -0.08 -0.19 0.01 0.00 0.68 0.00 0.00 39.33 39.75 1r6p h ASP 25 CO -0.08 0.72 -0.92 0.16 -1.61 0.00 0.00 179.24 177.51 1r6p h ILE 26 N 0.73 1.29 -0.06 2.25 3.07 -1.34 -2.92 117.51 120.54 1r6p h ILE 26 Ca 0.18 -2.15 -0.16 0.00 1.55 0.00 0.00 64.86 64.28 1r6p h ILE 26 Cb 0.21 2.21 -0.01 0.00 -0.27 0.00 0.00 36.82 38.95 1r6p h ILE 26 CO -0.01 0.67 -0.67 -0.26 -1.05 0.00 0.00 178.15 176.82 1r6p h PHE 27 N 0.44 0.33 -0.99 0.16 0.04 -0.56 -3.09 116.94 113.28 1r6p h PHE 27 Ca -0.09 -0.14 -0.64 0.00 2.80 0.00 0.00 57.97 59.90 1r6p h PHE 27 Cb 1.55 -0.05 -0.30 0.00 2.20 0.00 0.00 35.95 39.35 1r6p h PHE 27 CO 0.09 0.85 0.79 1.51 -0.60 0.00 0.00 178.31 180.94 1r6p n ILE 28 N -3.83 3.52 -0.07 -0.55 0.00 0.76 -4.51 119.36 114.70 1r6p n ILE 28 Ca -0.03 -2.78 -0.12 0.00 0.00 0.00 0.00 62.75 59.82 1r6p n ILE 28 Cb 0.66 -1.03 -0.11 0.00 0.00 0.00 0.00 39.64 39.17 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 1.82 0.00 -0.01 9.51 4.15 -1.42 -3.33 115.11 125.83 1r6p h GLN 29 Ca 0.61 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.03 1r6p h GLN 29 Cb 1.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1r6p h GLN 29 CO 1.48 0.82 -0.03 -0.25 -1.93 0.00 0.00 178.83 178.93 1r6p n ASP 30 N -4.63 0.78 -4.93 -0.69 9.92 -1.26 -4.86 116.55 110.87 1r6p n ASP 30 Ca -0.09 -1.15 -0.28 0.00 -0.53 0.00 0.00 54.79 52.74 1r6p n ASP 30 Cb 0.41 -0.01 -0.03 0.00 -0.64 0.00 0.00 41.12 40.84 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 -0.21 2.24 0.00 -1.25 -5.03 121.76 119.35 1r6p s ALA 31 Ca 0.40 -0.90 0.16 0.00 0.00 0.00 0.00 51.96 51.61 1r6p s ALA 31 Cb 0.21 -1.86 0.46 0.00 0.00 0.00 0.00 23.12 21.93 1r6p s ALA 31 CO 0.38 0.60 1.17 0.39 0.00 0.00 0.00 175.76 178.30 1r6p n GLU 32 N -0.30 1.99 -0.02 0.00 1.02 -1.26 -4.77 120.64 117.30 1r6p n GLU 32 Ca -0.06 -3.40 -0.02 0.00 -0.02 0.00 0.00 57.16 53.66 1r6p n GLU 32 Cb 0.53 -1.53 -0.02 0.00 -0.02 0.00 0.00 31.44 30.40 1r6p n GLU 32 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1r6p n ASP 33 N -0.54 3.90 0.00 1.62 9.92 -1.26 -5.06 116.55 125.14 1r6p n ASP 33 Ca 0.21 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.46 1r6p n ASP 33 Cb 0.90 0.10 0.00 0.00 -0.64 0.00 0.00 41.12 41.48 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 3.22 1.02 3.56 0.44 0.00 -1.26 -5.13 105.19 107.03 1r6p n GLY 34 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.19 2.63 -0.67 0.00 -5.25 -0.02 -4.74 121.20 112.95 1r6p s ILE 36 Ca -0.04 -0.29 -0.27 0.00 -0.99 0.00 0.00 60.65 59.06 1r6p s ILE 36 Cb -0.03 -3.10 0.01 0.00 2.95 0.00 0.00 42.46 42.30 1r6p s ILE 36 CO 0.04 -0.09 1.46 -0.55 -1.79 0.00 0.00 174.94 174.01 1r6p s SER 37 N -4.46 5.91 0.45 4.36 0.15 -1.26 -1.24 113.70 117.61 1r6p s SER 37 Ca 0.58 -0.10 0.14 0.00 0.70 0.00 0.00 55.95 57.28 1r6p s SER 37 Cb -0.11 -2.55 1.07 0.00 -1.71 0.00 0.00 66.02 62.72 1r6p s SER 37 CO 0.44 -1.96 2.00 0.00 1.20 0.00 0.00 173.24 174.92 1r6p h THR 38 N 6.33 0.91 0.00 6.45 1.03 -1.85 0.22 112.91 126.00 1r6p h THR 38 Ca -0.27 -0.12 -0.06 0.00 -0.01 0.00 0.00 66.41 65.95 1r6p h THR 38 Cb 1.09 0.53 -0.01 0.00 -1.07 0.00 0.00 68.15 68.69 1r6p h THR 38 CO 1.24 0.06 -0.27 0.07 -0.01 0.00 0.00 175.52 176.62 1r6p h LYS 39 N 0.35 0.00 -0.69 0.00 2.10 -1.89 -2.05 116.57 114.40 1r6p h LYS 39 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 1r6p h LYS 39 Cb 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1r6p h LYS 39 CO -0.06 0.27 0.00 0.39 -2.00 0.00 0.00 179.45 178.05 1r6p n GLU 40 N -3.93 3.77 0.00 0.07 1.02 0.75 -4.46 120.64 117.86 1r6p n GLU 40 Ca -0.02 -2.29 0.23 0.00 -0.02 0.00 0.00 57.16 55.06 1r6p n GLU 40 Cb 0.34 -2.03 0.72 0.00 -0.02 0.00 0.00 31.44 30.46 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 2.94 0.00 -1.02 -4.62 7.12 -1.14 0.10 115.31 118.69 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 1.54 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 41.61 1r6p h LEU 41 CO 0.34 0.00 0.65 1.23 -0.13 0.00 0.00 178.44 180.53 1r6p h GLY 42 N 0.00 1.50 2.00 3.75 0.00 -1.85 0.41 103.07 108.88 1r6p h GLY 42 Ca 0.27 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1r6p h GLY 42 CO -0.00 0.37 -0.07 0.50 0.00 0.00 0.00 176.54 177.33 1r6p h LYS 43 N 1.21 0.00 0.05 4.80 1.57 -1.16 -1.84 116.57 121.20 1r6p h LYS 43 Ca 0.42 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 59.02 1r6p h LYS 43 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1r6p h LYS 43 CO -0.15 0.07 -0.94 0.28 -0.57 0.00 0.00 179.45 178.14 1r6p h VAL 44 N 0.00 1.24 -0.64 0.50 2.07 -0.79 -3.26 116.25 115.37 1r6p h VAL 44 Ca -0.00 -2.33 0.06 0.00 0.82 0.00 0.00 66.70 65.25 1r6p h VAL 44 Cb 0.49 2.79 -0.05 0.00 -1.52 0.00 0.00 31.29 32.99 1r6p h VAL 44 CO 0.01 0.56 0.35 -0.03 0.02 0.00 0.00 177.57 178.48 1r6p h MET 45 N -0.71 0.63 -0.46 1.57 4.05 -0.21 0.75 114.93 120.55 1r6p h MET 45 Ca -0.22 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.17 1r6p h MET 45 Cb 1.40 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 32.04 1r6p h MET 45 CO -0.03 0.42 0.30 0.07 0.23 0.00 0.00 176.91 177.90 1r6p h ARG 46 N 0.65 0.59 -0.04 0.39 -0.00 -0.26 0.48 114.38 116.17 1r6p h ARG 46 Ca 0.29 -0.04 -0.18 0.00 -0.00 0.00 0.00 59.98 60.05 1r6p h ARG 46 Cb 0.19 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.97 30.02 1r6p h ARG 46 CO -0.18 0.39 -0.75 1.98 -0.00 0.00 0.00 179.97 181.40 1r6p h MET 47 N 0.60 0.29 -0.01 0.08 4.05 -1.22 -3.15 114.93 115.57 1r6p h MET 47 Ca 0.17 -0.25 -0.17 0.00 -0.28 0.00 0.00 59.70 59.17 1r6p h MET 47 Cb -0.04 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 1r6p h MET 47 CO -0.04 0.91 -0.76 -0.07 0.23 0.00 0.00 176.91 177.18 1r6p h LEU 48 N 0.19 0.14 0.00 3.39 4.07 0.38 -3.47 115.31 120.00 1r6p h LEU 48 Ca -0.03 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.83 1r6p h LEU 48 Cb 1.33 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.03 1r6p h LEU 48 CO 0.12 0.84 0.00 0.61 -1.08 0.00 0.00 178.44 178.94 1r6p n GLY 49 N 0.63 1.42 3.32 0.83 0.00 0.91 -5.09 105.19 107.22 1r6p n GLY 49 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 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 1.46 -0.43 1.61 -0.21 0.13 -4.97 119.66 117.25 1r6p s GLN 50 Ca 0.00 -1.81 0.08 0.00 0.02 0.00 0.00 55.36 53.65 1r6p s GLN 50 Cb 0.00 -0.20 0.18 0.00 1.00 0.00 0.00 33.01 33.99 1r6p s GLN 50 CO 0.00 -0.35 0.64 1.21 -2.12 0.00 0.00 175.29 174.68 1r6p s ASN 51 N -3.33 -1.39 0.05 5.90 2.47 -1.26 -1.17 114.94 116.22 1r6p s ASN 51 Ca 0.37 -1.05 0.00 0.00 0.42 0.00 0.00 52.86 52.60 1r6p s ASN 51 Cb 0.07 1.88 0.00 0.00 -1.45 0.00 0.00 41.25 41.75 1r6p s ASN 51 CO 0.15 -0.15 0.00 -0.81 -3.72 0.00 0.00 177.10 172.57 1r6p n PRO 52 N 4.06 1.32 -3.52 0.43 -0.04 -1.26 -5.09 135.00 130.89 1r6p n PRO 52 Ca 0.13 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.36 1r6p n PRO 52 Cb 0.56 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.04 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 0.33 2.03 0.23 0.52 -4.23 -1.26 -4.95 115.64 108.30 1r6p s THR 53 Ca 0.00 -1.29 0.11 0.00 -1.18 0.00 0.00 61.69 59.33 1r6p s THR 53 Cb 0.00 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.49 1r6p s THR 53 CO 0.00 0.00 1.57 1.55 -0.54 0.00 0.00 174.62 177.20 1r6p h PRO 54 N 0.60 0.00 0.00 3.99 0.13 -2.00 -0.72 132.00 134.01 1r6p h PRO 54 Ca -0.35 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.55 1r6p h PRO 54 Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 1r6p h PRO 54 CO 0.51 0.65 -1.12 1.05 -0.23 0.00 0.00 178.00 178.86 1r6p h GLU 55 N 0.00 0.01 0.02 0.86 4.11 -1.99 -2.63 114.58 114.97 1r6p h GLU 55 Ca -0.01 -0.01 -0.26 0.00 0.07 0.00 0.00 59.36 59.16 1r6p h GLU 55 Cb 1.18 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.45 1r6p h GLU 55 CO 0.08 0.92 -1.04 1.49 0.07 0.00 0.00 179.01 180.54 1r6p h GLU 56 N 0.00 0.56 -0.01 1.06 4.81 -1.93 -2.08 114.58 116.99 1r6p h GLU 56 Ca -0.06 -0.63 -0.16 0.00 -0.13 0.00 0.00 59.36 58.38 1r6p h GLU 56 Cb 1.81 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 31.36 1r6p h GLU 56 CO 0.12 1.24 -0.76 1.37 -0.73 0.00 0.00 179.01 180.26 1r6p h LEU 57 N 0.30 0.09 0.04 1.64 8.10 -1.22 -3.07 115.31 121.19 1r6p h LEU 57 Ca -0.12 -0.06 -0.21 0.00 0.11 0.00 0.00 57.88 57.60 1r6p h LEU 57 Cb 1.69 -0.03 0.02 0.00 -0.44 0.00 0.00 40.66 41.90 1r6p h LEU 57 CO 0.19 0.81 -0.83 -0.61 -4.11 0.00 0.00 178.44 173.89 1r6p h GLN 58 N 0.04 0.50 -0.29 0.17 5.75 -1.51 -2.73 115.11 117.05 1r6p h GLN 58 Ca -0.02 -0.59 -0.01 0.00 -0.15 0.00 0.00 58.65 57.89 1r6p h GLN 58 Cb 1.33 0.18 -0.01 0.00 1.07 0.00 0.00 27.48 30.05 1r6p h GLN 58 CO 0.10 1.22 0.12 1.05 -2.65 0.00 0.00 178.83 178.67 1r6p h GLU 59 N 0.04 0.40 0.00 1.69 -0.00 -1.44 -0.32 114.58 114.94 1r6p h GLU 59 Ca -0.11 -0.04 -0.18 0.00 -0.00 0.00 0.00 59.36 59.03 1r6p h GLU 59 Cb 1.54 -0.08 -0.03 0.00 -0.00 0.00 0.00 28.75 30.18 1r6p h GLU 59 CO 0.16 0.33 -0.85 0.00 -0.00 0.00 0.00 179.01 178.65 1r6p h MET 60 N 0.40 0.00 0.18 1.06 -0.00 -1.59 -2.89 114.93 112.09 1r6p h MET 60 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.79 1r6p h MET 60 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.68 1r6p h MET 60 CO -0.01 0.85 -0.09 0.82 -0.00 0.00 0.00 176.91 178.48 1r6p h ILE 61 N 0.00 0.94 -0.72 -0.10 2.04 -0.95 -1.59 117.51 117.12 1r6p h ILE 61 Ca -0.01 -0.70 0.12 0.00 1.00 0.00 0.00 64.86 65.27 1r6p h ILE 61 Cb 1.52 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 38.90 1r6p h ILE 61 CO 0.11 0.16 0.48 0.44 0.00 0.00 0.00 178.15 179.34 1r6p h ASP 62 N -0.59 0.46 0.21 1.72 5.19 -1.16 0.75 116.42 123.00 1r6p h ASP 62 Ca -0.02 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 1r6p h ASP 62 Cb 0.44 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1r6p h ASP 62 CO 0.04 0.26 -0.10 -0.33 -3.12 0.00 0.00 179.24 175.99 1r6p h GLU 63 N 0.51 -0.28 -0.33 3.56 4.39 -1.37 -3.32 114.58 117.74 1r6p h GLU 63 Ca 0.35 0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.90 1r6p h GLU 63 Cb 0.65 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1r6p h GLU 63 CO -0.12 0.10 -0.44 -0.24 -1.16 0.00 0.00 179.01 177.16 1r6p h VAL 64 N -0.76 1.28 -2.91 3.13 3.04 -0.88 -3.41 116.25 115.72 1r6p h VAL 64 Ca -0.03 -1.62 -0.56 0.00 -1.01 0.00 0.00 66.70 63.48 1r6p h VAL 64 Cb 0.51 1.48 -0.04 0.00 -2.01 0.00 0.00 31.29 31.23 1r6p h VAL 64 CO 0.05 0.53 1.17 -0.62 -1.01 0.00 0.00 177.57 177.69 1r6p s ASP 65 N -6.88 6.07 0.07 3.17 -1.08 0.26 -4.86 116.67 113.42 1r6p s ASP 65 Ca -0.10 0.90 -0.16 0.00 -0.52 0.00 0.00 52.55 52.67 1r6p s ASP 65 Cb 0.11 -2.53 -0.18 0.00 -1.46 0.00 0.00 42.92 38.85 1r6p s ASP 65 CO 0.88 -1.63 1.24 -0.33 0.52 0.00 0.00 175.17 175.84 1r6p h GLU 66 N 11.84 0.64 0.19 4.34 5.08 -1.83 -3.31 114.58 131.54 1r6p h GLU 66 Ca -0.30 -0.55 -0.32 0.00 -1.00 0.00 0.00 59.36 57.19 1r6p h GLU 66 Cb 1.13 0.13 0.02 0.00 0.50 0.00 0.00 28.75 30.52 1r6p h GLU 66 CO 1.09 1.17 -1.52 0.38 -1.00 0.00 0.00 179.01 179.13 1r6p h ASP 67 N 0.30 0.62 -3.06 1.42 2.03 -1.94 -3.49 116.42 112.30 1r6p h ASP 67 Ca -0.06 -0.76 -0.10 0.00 -0.73 0.00 0.00 57.03 55.38 1r6p h ASP 67 Cb 1.33 -0.20 0.05 0.00 -0.83 0.00 0.00 39.33 39.68 1r6p h ASP 67 CO 0.14 1.61 -0.23 0.61 -1.03 0.00 0.00 179.24 180.34 1r6p n GLY 68 N 1.71 0.22 0.56 7.15 0.00 -1.25 -4.95 105.19 108.62 1r6p n GLY 68 Ca -0.17 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.50 1.64 -1.01 1.61 3.41 -1.26 -4.90 113.62 111.61 1r6p n SER 69 Ca -0.08 -1.85 -0.09 0.00 -0.26 0.00 0.00 58.87 56.59 1r6p n SER 69 Cb 0.55 -0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 64.33 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 1.06 0.11 3.28 5.00 0.00 -1.26 -5.02 105.19 108.36 1r6p n GLY 70 Ca 0.13 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.44 0.03 -0.29 2.61 -4.23 -1.26 -3.16 115.64 106.89 1r6p s THR 71 Ca 0.00 -0.23 -0.08 0.00 -1.18 0.00 0.00 61.69 60.21 1r6p s THR 71 Cb 0.00 -0.62 -0.00 0.00 1.34 0.00 0.00 72.50 73.21 1r6p s THR 71 CO 0.00 -0.12 0.10 -0.69 -0.54 0.00 0.00 174.62 173.36 1r6p s VAL 72 N -0.64 4.23 0.82 2.29 1.01 -0.37 -4.77 120.40 122.96 1r6p s VAL 72 Ca -0.07 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 1r6p s VAL 72 Cb -0.04 -3.12 0.09 0.00 0.00 0.00 0.00 36.38 33.31 1r6p s VAL 72 CO 0.03 0.14 1.18 -0.62 0.00 0.00 0.00 175.10 175.83 1r6p s ASP 73 N 1.56 4.39 0.35 3.32 -1.08 -1.26 -0.84 116.67 123.11 1r6p s ASP 73 Ca 0.04 0.69 0.02 0.00 -0.52 0.00 0.00 52.55 52.79 1r6p s ASP 73 Cb -0.17 -1.15 0.64 0.00 -1.46 0.00 0.00 42.92 40.78 1r6p s ASP 73 CO 0.04 -1.96 2.01 0.15 0.52 0.00 0.00 175.17 175.92 1r6p h PHE 74 N -1.07 0.80 -0.37 -5.34 3.57 -1.99 0.65 116.94 113.18 1r6p h PHE 74 Ca -0.46 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.01 1r6p h PHE 74 Cb 1.32 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1r6p h PHE 74 CO 0.16 0.50 0.01 0.22 -2.23 0.00 0.00 178.31 176.97 1r6p h ASP 75 N 0.86 0.63 0.61 0.41 3.58 -1.95 -1.90 116.42 118.65 1r6p h ASP 75 Ca 0.24 -0.30 -0.09 0.00 0.42 0.00 0.00 57.03 57.29 1r6p h ASP 75 Cb -0.08 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.79 1r6p h ASP 75 CO -0.05 0.78 -0.43 -0.33 -2.88 0.00 0.00 179.24 176.33 1r6p h GLU 76 N 0.46 0.00 0.42 0.28 5.08 -1.72 -2.23 114.58 116.87 1r6p h GLU 76 Ca 0.10 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1r6p h GLU 76 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1r6p h GLU 76 CO 0.02 0.43 -0.20 0.35 -1.00 0.00 0.00 179.01 178.60 1r6p h PHE 77 N 0.00 -0.52 -0.46 4.33 3.57 0.64 -0.29 116.94 124.21 1r6p h PHE 77 Ca -0.00 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 1r6p h PHE 77 Cb 0.85 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 1r6p h PHE 77 CO 0.00 -0.21 0.02 -0.07 -2.23 0.00 0.00 178.31 175.83 1r6p h LEU 78 N -0.82 0.69 -0.03 0.59 3.38 -1.38 -2.95 115.31 114.80 1r6p h LEU 78 Ca -0.06 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1r6p h LEU 78 Cb 0.54 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1r6p h LEU 78 CO 0.09 0.75 0.01 0.58 0.09 0.00 0.00 178.44 179.96 1r6p h VAL 79 N 0.69 1.13 -1.32 1.22 2.07 -1.37 -2.64 116.25 116.02 1r6p h VAL 79 Ca 0.14 -0.39 0.39 0.00 0.82 0.00 0.00 66.70 67.66 1r6p h VAL 79 Cb 0.39 1.34 -0.08 0.00 -1.52 0.00 0.00 31.29 31.42 1r6p h VAL 79 CO 0.01 0.11 0.92 -0.03 0.02 0.00 0.00 177.57 178.60 1r6p h MET 80 N -0.11 0.09 0.48 1.57 4.05 -0.87 0.11 114.93 120.25 1r6p h MET 80 Ca 0.01 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1r6p h MET 80 Cb 0.16 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 1r6p h MET 80 CO -0.00 0.06 -0.23 1.98 0.23 0.00 0.00 176.91 178.95 1r6p h MET 81 N 0.09 -0.62 0.00 0.39 -1.53 -1.47 -2.33 114.93 109.46 1r6p h MET 81 Ca 0.68 0.04 -0.04 0.00 -3.44 0.00 0.00 59.70 56.94 1r6p h MET 81 Cb 2.44 0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 33.63 1r6p h MET 81 CO -0.14 -0.32 -0.20 -0.39 0.14 0.00 0.00 176.91 176.00 1r6p h VAL 82 N -0.89 0.94 -0.57 -5.77 -1.51 -1.11 0.25 116.25 107.59 1r6p h VAL 82 Ca -0.07 -0.75 -0.05 0.00 -1.23 0.00 0.00 66.70 64.61 1r6p h VAL 82 Cb 0.59 1.43 -0.03 0.00 -2.13 0.00 0.00 31.29 31.15 1r6p h VAL 82 CO 0.11 0.20 0.17 0.03 -1.23 0.00 0.00 177.57 176.84 1r6p h ARG 83 N 0.00 0.86 0.11 5.19 2.47 -0.74 0.32 114.38 122.59 1r6p h ARG 83 Ca -0.00 -0.16 -0.33 0.00 -1.26 0.00 0.00 59.98 58.22 1r6p h ARG 83 Cb 0.41 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.58 1r6p h ARG 83 CO 0.03 0.75 -1.78 0.00 0.56 0.00 0.00 179.97 179.53 1r6p h MET 85 N -0.15 0.74 -3.58 0.00 1.85 -0.50 -3.49 114.93 109.80 1r6p h MET 85 Ca -0.39 -0.18 0.00 0.00 -0.61 0.00 0.00 59.70 58.52 1r6p h MET 85 Cb 1.89 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 33.79 1r6p h MET 85 CO 0.04 0.74 -0.59 1.17 -0.40 0.00 0.00 176.91 177.87 1r6p n LYS 86 N -4.24 -2.15 -0.37 0.39 3.00 0.11 -4.89 118.16 110.02 1r6p n LYS 86 Ca 0.02 1.87 0.02 0.00 -0.00 0.00 0.00 58.31 60.23 1r6p n LYS 86 Cb 0.28 -2.61 0.17 0.00 0.00 0.00 0.00 35.03 32.86 1r6p n LYS 86 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1r6p h ASP 87 N 1.84 1.04 -4.69 3.14 2.03 -1.93 -3.46 116.42 114.39 1r6p h ASP 87 Ca -0.15 0.01 -0.38 0.00 -0.73 0.00 0.00 57.03 55.78 1r6p h ASP 87 Cb 0.33 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 38.61 1r6p h ASP 87 CO 0.00 0.67 -0.56 0.47 -1.03 0.00 0.00 179.24 178.79 1r6p n ASP 88 N -4.50 -5.12 0.00 4.15 8.00 -1.26 -5.22 116.55 112.61 1r6p n ASP 88 Ca 0.15 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1r6p n ASP 88 Cb 0.16 -4.18 0.00 0.00 -0.02 0.00 0.00 41.12 37.09 1r6p n ASP 88 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61