#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6p s ASN 2 N 0.00 5.41 -0.18 6.12 -0.87 -1.26 -4.75 114.94 119.40 1r6p s ASN 2 Ca 0.00 0.05 0.04 0.00 -1.57 0.00 0.00 52.86 51.37 1r6p s ASN 2 Cb 0.00 -2.54 -0.22 0.00 -0.02 0.00 0.00 41.25 38.47 1r6p s ASN 2 CO 0.00 -2.33 0.11 0.47 -2.57 0.00 0.00 177.10 172.77 1r6p n ASP 3 N 12.36 1.53 -0.04 -1.22 8.00 -1.26 -4.28 116.55 131.64 1r6p n ASP 3 Ca 0.21 0.05 0.18 0.00 0.71 0.00 0.00 54.79 55.95 1r6p n ASP 3 Cb 0.51 -0.25 0.63 0.00 -0.02 0.00 0.00 41.12 41.99 1r6p n ASP 3 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1r6p h ILE 4 N 0.02 0.76 -0.24 0.53 -2.65 -1.97 0.65 117.51 114.61 1r6p h ILE 4 Ca -0.49 -0.04 0.00 0.00 1.03 0.00 0.00 64.86 65.35 1r6p h ILE 4 Cb 2.02 0.62 -0.01 0.00 -2.05 0.00 0.00 36.82 37.40 1r6p h ILE 4 CO 0.00 0.02 0.16 1.88 0.03 0.00 0.00 178.15 180.25 1r6p h TYR 5 N 0.13 0.30 0.00 0.16 -1.99 -1.97 -0.38 116.97 113.22 1r6p h TYR 5 Ca 0.28 0.01 -0.13 0.00 2.00 0.00 0.00 58.73 60.89 1r6p h TYR 5 Cb 0.93 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.54 1r6p h TYR 5 CO -0.00 0.19 -0.62 0.87 -0.00 0.00 0.00 178.16 178.60 1r6p h LYS 6 N 0.33 0.00 0.00 4.88 1.57 -1.48 -2.99 116.57 118.88 1r6p h LYS 6 Ca 0.09 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 1r6p h LYS 6 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1r6p h LYS 6 CO -0.02 0.62 -0.40 0.00 -0.57 0.00 0.00 179.45 179.08 1r6p h ALA 7 N 1.38 1.12 0.13 3.86 0.00 -0.50 -2.37 119.26 122.88 1r6p h ALA 7 Ca -0.01 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.35 1r6p h ALA 7 Cb 1.35 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.09 1r6p h ALA 7 CO 0.08 0.50 -0.84 0.00 0.00 0.00 0.00 179.25 178.99 1r6p h ALA 8 N 1.60 -0.05 0.00 0.00 0.00 -1.05 -3.11 119.26 116.65 1r6p h ALA 8 Ca -0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.14 1r6p h ALA 8 Cb 0.82 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1r6p h ALA 8 CO 0.05 0.41 -0.15 -0.24 0.00 0.00 0.00 179.25 179.32 1r6p h VAL 9 N -0.42 0.77 0.00 0.00 3.04 -1.52 -0.40 116.25 117.71 1r6p h VAL 9 Ca -0.16 -0.59 0.00 0.00 -1.01 0.00 0.00 66.70 64.95 1r6p h VAL 9 Cb 1.61 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 32.24 1r6p h VAL 9 CO 0.13 0.15 -0.21 1.05 -1.01 0.00 0.00 177.57 177.67 1r6p h GLU 10 N 0.00 0.00 -0.18 4.17 4.11 -1.51 -3.32 114.58 117.85 1r6p h GLU 10 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1r6p h GLU 10 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1r6p h GLU 10 CO 0.02 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.10 1r6p n GLN 11 N -2.89 2.84 -1.43 1.06 10.64 -0.73 -5.05 117.38 121.83 1r6p n GLN 11 Ca 0.03 -1.90 -0.29 0.00 -1.83 0.00 0.00 57.00 53.01 1r6p n GLN 11 Cb 0.52 -1.21 0.19 0.00 -0.86 0.00 0.00 30.24 28.88 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 -1.22 1.67 0.66 2.61 0.05 -0.24 -5.05 118.68 117.16 1r6p s LEU 12 Ca 0.15 0.73 -0.09 0.00 0.05 0.00 0.00 54.13 54.98 1r6p s LEU 12 Cb 0.09 -2.79 0.02 0.00 -2.05 0.00 0.00 46.19 41.47 1r6p s LEU 12 CO 0.08 -3.18 1.01 0.42 -0.55 0.00 0.00 176.35 174.13 1r6p s THR 13 N -3.28 3.36 0.33 5.48 -4.23 -1.26 -4.98 115.64 111.06 1r6p s THR 13 Ca 0.68 0.17 0.08 0.00 -1.18 0.00 0.00 61.69 61.45 1r6p s THR 13 Cb -0.11 -3.39 0.08 0.00 1.34 0.00 0.00 72.50 70.41 1r6p s THR 13 CO 0.55 -0.46 1.78 -0.78 -0.54 0.00 0.00 174.62 175.16 1r6p h ASP 14 N -0.46 0.23 -0.33 3.99 1.82 -1.99 -2.49 116.42 117.19 1r6p h ASP 14 Ca -0.45 -0.08 -0.06 0.00 -0.39 0.00 0.00 57.03 56.05 1r6p h ASP 14 Cb 1.26 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 41.19 1r6p h ASP 14 CO 0.62 0.54 0.01 -0.33 -1.61 0.00 0.00 179.24 178.47 1r6p h GLU 15 N 0.20 0.68 -0.35 0.28 5.08 -1.98 0.14 114.58 118.64 1r6p h GLU 15 Ca 0.03 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 1r6p h GLU 15 Cb 0.65 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1r6p h GLU 15 CO 0.05 0.69 -0.01 0.37 -1.00 0.00 0.00 179.01 179.10 1r6p h GLN 16 N 0.64 0.63 -0.49 2.33 4.15 -1.84 0.99 115.11 121.52 1r6p h GLN 16 Ca 0.13 -0.20 -0.09 0.00 0.77 0.00 0.00 58.65 59.26 1r6p h GLN 16 Cb 0.38 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 1r6p h GLN 16 CO 0.01 0.75 -0.03 0.87 -1.93 0.00 0.00 178.83 178.50 1r6p h LYS 17 N 0.44 0.89 -0.11 1.69 1.57 -1.19 -2.87 116.57 116.98 1r6p h LYS 17 Ca 0.10 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.50 1r6p h LYS 17 Cb 0.47 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1r6p h LYS 17 CO 0.02 0.94 -0.31 -0.91 -0.57 0.00 0.00 179.45 178.62 1r6p h ASN 18 N 0.74 0.21 -0.49 0.86 2.35 -0.59 0.21 115.58 118.87 1r6p h ASN 18 Ca 0.13 -0.07 0.07 0.00 -0.55 0.00 0.00 56.30 55.88 1r6p h ASN 18 Cb 0.56 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.81 1r6p h ASN 18 CO 0.03 0.52 0.17 -0.08 -1.65 0.00 0.00 177.43 176.42 1r6p h GLU 19 N 0.19 0.34 0.05 0.81 4.81 -0.56 0.19 114.58 120.40 1r6p h GLU 19 Ca 0.03 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 1r6p h GLU 19 Cb 0.64 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1r6p h GLU 19 CO 0.05 0.22 -0.90 0.74 -0.73 0.00 0.00 179.01 178.39 1r6p h PHE 20 N 0.35 0.19 -0.79 0.92 0.04 -1.51 -3.35 116.94 112.79 1r6p h PHE 20 Ca 0.24 -0.14 0.16 0.00 2.80 0.00 0.00 57.97 61.03 1r6p h PHE 20 Cb 0.25 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.34 1r6p h PHE 20 CO -0.16 1.35 0.53 -0.22 -0.60 0.00 0.00 178.31 179.21 1r6p h LYS 21 N -0.72 0.39 0.52 1.51 3.11 -0.53 0.51 116.57 121.37 1r6p h LYS 21 Ca -0.21 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.58 1r6p h LYS 21 Cb 1.39 -0.09 0.01 0.00 -1.00 0.00 0.00 32.23 32.54 1r6p h LYS 21 CO -0.03 0.26 -0.25 0.00 -2.81 0.00 0.00 179.45 176.62 1r6p h ALA 22 N 1.64 -0.70 -0.39 5.00 0.00 -0.76 0.30 119.26 124.35 1r6p h ALA 22 Ca 0.39 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1r6p h ALA 22 Cb 0.94 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1r6p h ALA 22 CO -0.13 -0.89 -0.13 0.00 0.00 0.00 0.00 179.25 178.11 1r6p h ALA 23 N -0.24 1.05 -0.65 0.00 0.00 -1.48 -2.66 119.26 115.28 1r6p h ALA 23 Ca -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1r6p h ALA 23 Cb 0.55 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1r6p h ALA 23 CO 0.12 0.58 0.42 0.35 0.00 0.00 0.00 179.25 180.71 1r6p h PHE 24 N 0.63 0.82 -0.29 0.00 3.04 0.27 -1.78 116.94 119.64 1r6p h PHE 24 Ca 0.11 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.02 1r6p h PHE 24 Cb 0.58 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 1r6p h PHE 24 CO 0.03 0.53 -0.00 0.22 -2.02 0.00 0.00 178.31 177.07 1r6p h ASP 25 N 0.88 0.50 -0.50 0.41 1.82 -0.20 0.15 116.42 119.48 1r6p h ASP 25 Ca 0.23 -0.31 -0.07 0.00 -0.39 0.00 0.00 57.03 56.50 1r6p h ASP 25 Cb -0.08 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 39.77 1r6p h ASP 25 CO -0.05 0.69 0.08 0.16 -1.61 0.00 0.00 179.24 178.51 1r6p h ILE 26 N 0.30 1.24 0.06 2.25 3.07 -1.35 -1.28 117.51 121.81 1r6p h ILE 26 Ca 0.08 -0.94 -0.24 0.00 1.55 0.00 0.00 64.86 65.31 1r6p h ILE 26 Cb 0.44 0.74 -0.01 0.00 -0.27 0.00 0.00 36.82 37.71 1r6p h ILE 26 CO 0.02 0.34 -1.12 -0.26 -1.05 0.00 0.00 178.15 176.08 1r6p h PHE 27 N 0.84 0.23 -0.97 0.16 0.04 -1.29 -3.26 116.94 112.69 1r6p h PHE 27 Ca 0.17 -0.17 -0.64 0.00 2.80 0.00 0.00 57.97 60.14 1r6p h PHE 27 Cb 0.39 -0.01 -0.30 0.00 2.20 0.00 0.00 35.95 38.23 1r6p h PHE 27 CO 0.02 1.13 0.72 1.51 -0.60 0.00 0.00 178.31 181.09 1r6p n ILE 28 N -3.44 3.48 0.02 -0.55 0.00 0.52 -4.58 119.36 114.81 1r6p n ILE 28 Ca -0.04 -2.85 -0.04 0.00 0.00 0.00 0.00 62.75 59.81 1r6p n ILE 28 Cb 0.98 -1.03 -0.03 0.00 0.00 0.00 0.00 39.64 39.56 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 1.83 -0.15 -0.01 9.51 5.75 -1.28 -3.34 115.11 127.42 1r6p h GLN 29 Ca 0.59 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 59.10 1r6p h GLN 29 Cb 1.20 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.78 1r6p h GLN 29 CO 1.44 0.03 -0.01 -0.25 -2.65 0.00 0.00 178.83 177.39 1r6p n ASP 30 N -4.87 1.06 -4.87 -0.69 9.92 -1.26 -4.89 116.55 110.95 1r6p n ASP 30 Ca -0.03 -1.31 -0.31 0.00 -0.53 0.00 0.00 54.79 52.61 1r6p n ASP 30 Cb 0.13 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.57 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 -2.04 3.38 -0.25 2.24 0.00 -1.25 -5.01 121.76 118.83 1r6p s ALA 31 Ca 0.40 -0.17 0.14 0.00 0.00 0.00 0.00 51.96 52.33 1r6p s ALA 31 Cb 0.21 -2.67 0.47 0.00 0.00 0.00 0.00 23.12 21.13 1r6p s ALA 31 CO 0.36 0.15 1.17 0.39 0.00 0.00 0.00 175.76 177.82 1r6p n GLU 32 N -0.92 2.48 0.00 0.00 1.02 -1.26 -4.75 120.64 117.22 1r6p n GLU 32 Ca 0.02 -3.68 0.00 0.00 -0.02 0.00 0.00 57.16 53.48 1r6p n GLU 32 Cb 0.54 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 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 -0.63 3.60 -0.00 1.62 9.92 -1.26 -5.06 116.55 124.73 1r6p n ASP 33 Ca 0.26 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 1r6p n ASP 33 Cb 0.90 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.38 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 3.45 1.06 3.33 0.44 0.00 -1.26 -5.12 105.19 107.08 1r6p n GLY 34 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.45 2.30 -0.38 0.00 -5.25 0.15 -4.75 121.20 112.81 1r6p s ILE 36 Ca -0.06 -0.47 -0.20 0.00 -0.99 0.00 0.00 60.65 58.93 1r6p s ILE 36 Cb -0.03 -2.83 0.01 0.00 2.95 0.00 0.00 42.46 42.56 1r6p s ILE 36 CO 0.03 0.00 0.63 -0.55 -1.79 0.00 0.00 174.94 173.26 1r6p s SER 37 N -4.61 6.39 0.34 4.36 0.15 -1.26 -1.72 113.70 117.34 1r6p s SER 37 Ca 0.63 -0.01 0.06 0.00 0.70 0.00 0.00 55.95 57.34 1r6p s SER 37 Cb -0.08 -2.32 0.73 0.00 -1.71 0.00 0.00 66.02 62.64 1r6p s SER 37 CO 0.44 -0.64 1.87 0.71 1.20 0.00 0.00 173.24 176.82 1r6p h THR 38 N 5.73 0.89 -0.01 6.45 1.35 -1.85 0.23 112.91 125.70 1r6p h THR 38 Ca -0.26 -0.27 -0.02 0.00 -0.55 0.00 0.00 66.41 65.31 1r6p h THR 38 Cb 1.11 0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1r6p h THR 38 CO 0.85 0.14 -0.08 0.07 -0.25 0.00 0.00 175.52 176.25 1r6p h LYS 39 N 0.79 0.01 -0.63 4.72 5.09 -1.92 -1.13 116.57 123.51 1r6p h LYS 39 Ca 0.44 -0.00 -0.10 0.00 0.09 0.00 0.00 60.65 61.08 1r6p h LYS 39 Cb 0.58 -0.00 -0.06 0.00 0.10 0.00 0.00 32.23 32.85 1r6p h LYS 39 CO -0.20 0.10 0.12 0.39 -2.09 0.00 0.00 179.45 177.77 1r6p n GLU 40 N -4.43 4.24 -0.08 0.07 -0.58 0.76 -4.53 120.64 116.09 1r6p n GLU 40 Ca -0.03 -3.12 0.09 0.00 -0.42 0.00 0.00 57.16 53.68 1r6p n GLU 40 Cb 0.16 -2.22 0.46 0.00 -0.57 0.00 0.00 31.44 29.27 1r6p n GLU 40 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1r6p h LEU 41 N 3.25 0.44 -1.47 -4.62 7.12 -0.58 -0.82 115.31 118.64 1r6p h LEU 41 Ca 0.12 0.00 0.06 0.00 0.13 0.00 0.00 57.88 58.20 1r6p h LEU 41 Cb 2.11 -0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 42.11 1r6p h LEU 41 CO 0.59 0.29 0.43 1.23 -0.13 0.00 0.00 178.44 180.85 1r6p h GLY 42 N 0.50 0.82 2.00 3.75 0.00 -1.82 0.37 103.07 108.69 1r6p h GLY 42 Ca 0.25 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 1r6p h GLY 42 CO -0.07 0.19 -0.24 0.50 0.00 0.00 0.00 176.54 176.92 1r6p h LYS 43 N 0.65 0.00 0.15 4.80 1.79 -1.50 -1.28 116.57 121.18 1r6p h LYS 43 Ca 0.28 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.42 1r6p h LYS 43 Cb 0.28 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1r6p h LYS 43 CO -0.09 0.24 -1.70 -0.39 -1.08 0.00 0.00 179.45 176.43 1r6p h VAL 44 N 0.00 0.97 -0.79 0.50 -1.51 -1.05 -3.25 116.25 111.12 1r6p h VAL 44 Ca -0.00 -2.60 -0.04 0.00 -1.23 0.00 0.00 66.70 62.83 1r6p h VAL 44 Cb 0.49 2.71 -0.04 0.00 -2.13 0.00 0.00 31.29 32.33 1r6p h VAL 44 CO 0.03 0.83 0.33 -0.03 -1.23 0.00 0.00 177.57 177.51 1r6p h MET 45 N 0.08 1.17 -0.76 5.19 -1.53 -0.81 -0.26 114.93 118.01 1r6p h MET 45 Ca -0.32 -0.20 -0.00 0.00 -3.44 0.00 0.00 59.70 55.74 1r6p h MET 45 Cb 2.06 -0.20 -0.04 0.00 -0.55 0.00 0.00 31.60 32.88 1r6p h MET 45 CO 0.16 0.93 0.47 0.00 0.14 0.00 0.00 176.91 178.61 1r6p h ARG 46 N 1.14 1.01 -0.10 0.39 3.08 0.16 0.19 114.38 120.26 1r6p h ARG 46 Ca 0.27 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 60.10 1r6p h ARG 46 Cb 0.19 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1r6p h ARG 46 CO -0.03 0.70 -0.56 0.52 -1.07 0.00 0.00 179.97 179.53 1r6p h MET 47 N 1.04 0.29 -0.10 0.04 2.86 -1.43 -2.93 114.93 114.70 1r6p h MET 47 Ca 0.27 -0.19 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 1r6p h MET 47 Cb -0.07 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1r6p h MET 47 CO -0.05 0.78 -0.43 -0.07 1.06 0.00 0.00 176.91 178.19 1r6p h LEU 48 N 0.22 0.24 0.00 1.22 4.07 0.12 -3.47 115.31 117.71 1r6p h LEU 48 Ca 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1r6p h LEU 48 Cb 1.05 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.73 1r6p h LEU 48 CO 0.09 0.64 0.00 0.61 -1.08 0.00 0.00 178.44 178.70 1r6p n GLY 49 N -0.14 0.53 3.08 0.83 0.00 -0.06 -5.09 105.19 104.34 1r6p n GLY 49 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 0.93 -0.66 1.61 -0.21 0.48 -4.98 119.66 116.83 1r6p s GLN 50 Ca 0.00 -0.51 0.05 0.00 0.02 0.00 0.00 55.36 54.92 1r6p s GLN 50 Cb 0.00 -0.90 0.18 0.00 1.00 0.00 0.00 33.01 33.30 1r6p s GLN 50 CO 0.00 0.24 0.52 0.27 -2.12 0.00 0.00 175.29 174.20 1r6p n ASN 51 N 2.54 2.72 -2.56 5.90 6.94 -1.26 -0.98 115.26 128.55 1r6p n ASN 51 Ca -0.15 -3.15 0.00 0.00 -0.02 0.00 0.00 54.58 51.26 1r6p n ASN 51 Cb 0.56 -0.72 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 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 1.85 1.26 -3.62 -0.53 -0.04 -1.26 -5.08 135.00 127.58 1r6p n PRO 52 Ca 0.23 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.47 1r6p n PRO 52 Cb 0.38 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.81 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 0.27 2.41 0.09 0.52 -4.23 -1.26 -5.00 115.64 108.43 1r6p s THR 53 Ca 0.00 -1.37 0.20 0.00 -1.18 0.00 0.00 61.69 59.34 1r6p s THR 53 Cb 0.00 -2.78 0.15 0.00 1.34 0.00 0.00 72.50 71.22 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 0.94 0.00 0.15 3.99 0.13 -1.99 -2.20 132.00 133.02 1r6p h PRO 54 Ca -0.40 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.44 1r6p h PRO 54 Cb 1.27 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.41 1r6p h PRO 54 CO 0.57 0.35 -1.33 0.93 -0.23 0.00 0.00 178.00 178.29 1r6p h GLU 55 N 0.00 0.32 0.04 0.86 5.08 -1.99 -2.84 114.58 116.06 1r6p h GLU 55 Ca -0.00 -0.56 -0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1r6p h GLU 55 Cb 0.95 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1r6p h GLU 55 CO 0.05 1.25 -0.02 0.93 -1.00 0.00 0.00 179.01 180.22 1r6p h GLU 56 N 0.09 -0.05 -0.71 2.33 4.39 -1.94 -2.63 114.58 116.06 1r6p h GLU 56 Ca -0.17 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1r6p h GLU 56 Cb 2.02 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.65 1r6p h GLU 56 CO 0.21 0.36 0.39 1.37 -1.16 0.00 0.00 179.01 180.18 1r6p h LEU 57 N -0.47 0.86 -0.86 1.33 8.10 -1.53 -2.40 115.31 120.34 1r6p h LEU 57 Ca -0.01 -0.06 -0.02 0.00 0.11 0.00 0.00 57.88 57.90 1r6p h LEU 57 Cb 0.43 -0.22 -0.04 0.00 -0.44 0.00 0.00 40.66 40.39 1r6p h LEU 57 CO 0.01 0.69 0.48 -0.61 -4.11 0.00 0.00 178.44 174.90 1r6p h GLN 58 N 0.98 1.19 -0.56 0.17 5.75 -1.47 -1.12 115.11 120.05 1r6p h GLN 58 Ca 0.25 -0.14 0.05 0.00 -0.15 0.00 0.00 58.65 58.67 1r6p h GLN 58 Cb 0.01 -0.24 -0.05 0.00 1.07 0.00 0.00 27.48 28.28 1r6p h GLN 58 CO -0.04 0.87 0.28 0.93 -2.65 0.00 0.00 178.83 178.22 1r6p h GLU 59 N 1.19 0.52 -0.83 1.69 4.39 -1.05 0.33 114.58 120.83 1r6p h GLU 59 Ca 0.30 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.94 1r6p h GLU 59 Cb 0.02 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.51 1r6p h GLU 59 CO -0.05 0.35 0.38 0.52 -1.16 0.00 0.00 179.01 179.05 1r6p h MET 60 N 0.54 1.20 0.23 2.33 2.86 -1.24 -1.75 114.93 119.10 1r6p h MET 60 Ca 0.25 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1r6p h MET 60 Cb 0.17 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1r6p h MET 60 CO -0.18 0.93 -0.11 0.82 1.06 0.00 0.00 176.91 179.44 1r6p h ILE 61 N 1.18 0.78 -0.37 -1.22 1.08 -0.07 0.22 117.51 119.12 1r6p h ILE 61 Ca 0.28 -0.05 0.02 0.00 -0.39 0.00 0.00 64.86 64.72 1r6p h ILE 61 Cb 0.14 0.81 -0.02 0.00 -3.07 0.00 0.00 36.82 34.69 1r6p h ILE 61 CO -0.03 0.01 0.25 0.44 -0.69 0.00 0.00 178.15 178.13 1r6p h ASP 62 N -0.34 0.37 0.20 1.72 3.32 -0.80 0.61 116.42 121.52 1r6p h ASP 62 Ca -0.03 -0.01 -0.30 0.00 0.02 0.00 0.00 57.03 56.71 1r6p h ASP 62 Cb 0.26 -0.09 0.03 0.00 0.22 0.00 0.00 39.33 39.75 1r6p h ASP 62 CO 0.05 0.26 -1.28 -0.33 -1.72 0.00 0.00 179.24 176.23 1r6p h GLU 63 N 0.44 0.57 0.21 3.56 5.08 -0.94 -3.36 114.58 120.14 1r6p h GLU 63 Ca 0.15 -0.81 -0.34 0.00 -1.00 0.00 0.00 59.36 57.36 1r6p h GLU 63 Cb 0.05 0.27 0.02 0.00 0.50 0.00 0.00 28.75 29.59 1r6p h GLU 63 CO -0.03 1.37 -1.60 -0.24 -1.00 0.00 0.00 179.01 177.50 1r6p h VAL 64 N 0.24 1.13 -2.55 3.13 3.04 -0.21 -3.43 116.25 117.58 1r6p h VAL 64 Ca -0.19 -2.65 -0.54 0.00 -1.01 0.00 0.00 66.70 62.31 1r6p h VAL 64 Cb 1.95 2.89 -0.05 0.00 -2.01 0.00 0.00 31.29 34.08 1r6p h VAL 64 CO 0.24 0.84 1.21 -0.62 -1.01 0.00 0.00 177.57 178.23 1r6p s ASP 65 N -7.38 5.83 0.34 3.17 -1.08 0.21 -4.85 116.67 112.90 1r6p s ASP 65 Ca -0.12 0.54 0.04 0.00 -0.52 0.00 0.00 52.55 52.50 1r6p s ASP 65 Cb 0.05 -2.54 0.60 0.00 -1.46 0.00 0.00 42.92 39.57 1r6p s ASP 65 CO 0.89 -1.90 1.88 1.05 0.52 0.00 0.00 175.17 177.62 1r6p h GLU 66 N 12.61 0.56 0.02 4.34 4.11 -1.85 -3.15 114.58 131.22 1r6p h GLU 66 Ca -0.28 -0.11 -0.35 0.00 0.07 0.00 0.00 59.36 58.69 1r6p h GLU 66 Cb 1.13 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 1r6p h GLU 66 CO 1.15 0.56 -2.11 -0.40 0.07 0.00 0.00 179.01 178.28 1r6p n ASP 67 N -4.29 1.05 -2.00 3.06 5.75 -1.26 -5.02 116.55 113.83 1r6p n ASP 67 Ca 0.02 0.15 -0.07 0.00 -0.01 0.00 0.00 54.79 54.87 1r6p n ASP 67 Cb 0.23 0.04 0.04 0.00 -1.03 0.00 0.00 41.12 40.40 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 1.83 0.12 0.22 6.12 0.00 -1.19 -4.94 105.19 107.35 1r6p n GLY 68 Ca -0.30 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.78 0.68 -0.18 1.61 3.41 -1.26 -4.88 113.62 111.20 1r6p n SER 69 Ca -0.11 -1.35 -0.02 0.00 -0.26 0.00 0.00 58.87 57.12 1r6p n SER 69 Cb 0.57 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 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 1.02 0.57 2.93 5.00 0.00 -1.26 -5.02 105.19 108.43 1r6p n GLY 70 Ca 0.19 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.07 -0.15 -0.25 2.61 -4.23 -1.26 -2.61 115.64 107.68 1r6p s THR 71 Ca 0.00 0.24 -0.19 0.00 -1.18 0.00 0.00 61.69 60.55 1r6p s THR 71 Cb 0.00 -0.30 -0.02 0.00 1.34 0.00 0.00 72.50 73.52 1r6p s THR 71 CO 0.00 0.10 0.58 -0.69 -0.54 0.00 0.00 174.62 174.07 1r6p s VAL 72 N 1.63 5.02 0.69 2.29 1.01 -0.70 -4.81 120.40 125.54 1r6p s VAL 72 Ca -0.05 1.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.87 1r6p s VAL 72 Cb -0.12 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.40 1r6p s VAL 72 CO -0.07 0.06 1.05 -1.81 0.00 0.00 0.00 175.10 174.33 1r6p s ASP 73 N 1.47 5.33 0.34 3.32 1.11 -1.26 -0.68 116.67 126.31 1r6p s ASP 73 Ca 0.24 0.93 0.03 0.00 0.18 0.00 0.00 52.55 53.94 1r6p s ASP 73 Cb -0.16 -1.73 0.65 0.00 1.07 0.00 0.00 42.92 42.75 1r6p s ASP 73 CO 0.09 -1.35 1.97 0.15 1.18 0.00 0.00 175.17 177.21 1r6p h PHE 74 N -0.57 0.84 -0.35 4.23 3.57 -1.98 0.54 116.94 123.22 1r6p h PHE 74 Ca -0.45 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.01 1r6p h PHE 74 Cb 1.27 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 1r6p h PHE 74 CO 0.46 0.48 0.00 -0.44 -2.23 0.00 0.00 178.31 176.58 1r6p h ASP 75 N 0.86 0.60 0.82 0.41 3.32 -1.95 -1.68 116.42 118.79 1r6p h ASP 75 Ca 0.30 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1r6p h ASP 75 Cb 0.10 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1r6p h ASP 75 CO -0.09 0.76 -0.21 -0.33 -1.72 0.00 0.00 179.24 177.64 1r6p h GLU 76 N 0.42 0.00 0.29 3.56 5.08 -1.68 -1.37 114.58 120.89 1r6p h GLU 76 Ca 0.10 0.00 -0.01 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 0.21 -0.14 0.35 -1.00 0.00 0.00 179.01 178.45 1r6p h PHE 77 N 0.00 -0.36 -0.01 4.33 3.57 0.48 -2.75 116.94 122.20 1r6p h PHE 77 Ca -0.00 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 1r6p h PHE 77 Cb 0.68 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1r6p h PHE 77 CO 0.00 -0.01 -0.42 -0.07 -2.23 0.00 0.00 178.31 175.58 1r6p h LEU 78 N -0.86 0.02 -0.29 0.59 3.38 -1.32 -3.05 115.31 113.78 1r6p h LEU 78 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1r6p h LEU 78 Cb 0.52 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1r6p h LEU 78 CO 0.07 0.44 0.19 0.58 0.09 0.00 0.00 178.44 179.81 1r6p h VAL 79 N 0.02 1.07 -1.26 1.22 2.07 -1.28 -2.11 116.25 115.99 1r6p h VAL 79 Ca -0.00 -0.13 0.36 0.00 0.82 0.00 0.00 66.70 67.75 1r6p h VAL 79 Cb 0.75 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 1r6p h VAL 79 CO 0.06 0.07 0.87 -0.03 0.02 0.00 0.00 177.57 178.55 1r6p h MET 80 N 0.38 0.12 0.38 1.57 4.05 -1.37 0.28 114.93 120.34 1r6p h MET 80 Ca 0.11 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.50 1r6p h MET 80 Cb -0.04 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.74 1r6p h MET 80 CO -0.03 0.08 -0.18 1.98 0.23 0.00 0.00 176.91 178.99 1r6p h MET 81 N 0.12 -0.49 0.00 0.39 -1.53 -1.50 -3.21 114.93 108.71 1r6p h MET 81 Ca 0.66 0.03 -0.04 0.00 -3.44 0.00 0.00 59.70 56.91 1r6p h MET 81 Cb 2.28 0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 33.43 1r6p h MET 81 CO -0.16 -0.18 -0.19 -0.39 0.14 0.00 0.00 176.91 176.13 1r6p h VAL 82 N -0.94 1.13 -0.92 -5.77 -1.51 -1.15 -1.70 116.25 105.38 1r6p h VAL 82 Ca -0.05 -0.66 0.16 0.00 -1.23 0.00 0.00 66.70 64.92 1r6p h VAL 82 Cb 0.54 1.36 -0.08 0.00 -2.13 0.00 0.00 31.29 30.98 1r6p h VAL 82 CO 0.09 0.19 0.59 0.03 -1.23 0.00 0.00 177.57 177.23 1r6p h ARG 83 N 0.00 0.65 0.09 5.19 2.47 -0.52 0.19 114.38 122.45 1r6p h ARG 83 Ca -0.00 -0.04 -0.35 0.00 -1.26 0.00 0.00 59.98 58.33 1r6p h ARG 83 Cb 0.34 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.49 1r6p h ARG 83 CO 0.03 0.43 -1.92 0.00 0.56 0.00 0.00 179.97 179.06 1r6p h MET 85 N -0.16 -0.97 -6.98 0.00 2.86 -0.98 -3.45 114.93 105.25 1r6p h MET 85 Ca -0.43 0.07 -0.45 0.00 -2.06 0.00 0.00 59.70 56.83 1r6p h MET 85 Cb 1.88 0.22 0.06 0.00 0.06 0.00 0.00 31.60 33.81 1r6p h MET 85 CO 0.00 -0.64 0.05 0.21 1.06 0.00 0.00 176.91 177.59 1r6p s LYS 86 N -5.13 2.51 -0.77 1.72 2.20 0.64 -4.66 119.74 116.25 1r6p s LYS 86 Ca -0.15 -0.55 -0.01 0.00 -0.36 0.00 0.00 55.97 54.90 1r6p s LYS 86 Cb 0.01 -2.39 -0.01 0.00 -1.51 0.00 0.00 37.83 33.94 1r6p s LYS 86 CO 0.44 -0.83 0.72 -3.47 -0.36 0.00 0.00 175.35 171.85 1r6p n ASP 87 N -2.51 -7.54 -0.09 1.43 2.03 -1.26 -4.62 116.55 104.00 1r6p n ASP 87 Ca 0.07 -0.15 -0.11 0.00 0.52 0.00 0.00 54.79 55.12 1r6p n ASP 87 Cb 0.60 -5.22 0.03 0.00 -0.72 0.00 0.00 41.12 35.80 1r6p n ASP 87 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1r6p h ASP 88 N 0.24 0.87 0.00 1.67 5.19 -1.87 -3.47 116.42 119.04 1r6p h ASP 88 Ca -0.08 -0.38 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1r6p h ASP 88 Cb 1.04 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.31 1r6p h ASP 88 CO 0.31 1.14 0.00 -1.54 -3.12 0.00 0.00 179.24 176.03