#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2u n ASN 2 N 0.00 6.86 -1.11 6.12 4.13 -1.26 -4.61 115.26 125.40 1r2u n ASN 2 Ca 0.00 -3.79 0.11 0.00 1.68 0.00 0.00 54.58 52.58 1r2u n ASN 2 Cb 0.00 -0.95 0.27 0.00 -1.54 0.00 0.00 39.78 37.55 1r2u n ASN 2 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1r2u n ASP 3 N -0.44 3.27 0.19 6.41 5.75 -1.26 -4.22 116.55 126.25 1r2u n ASP 3 Ca 0.49 -1.97 0.06 0.00 -0.01 0.00 0.00 54.79 53.36 1r2u n ASP 3 Cb 0.32 -0.32 0.33 0.00 -1.03 0.00 0.00 41.12 40.43 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 -0.11 0.00 0.00 177.20 177.25 1r2u h ILE 4 N 3.91 0.88 -0.09 2.12 -2.65 -1.94 -1.97 117.51 117.76 1r2u h ILE 4 Ca 0.00 -1.52 -0.13 0.00 1.03 0.00 0.00 64.86 64.24 1r2u h ILE 4 Cb 0.88 1.93 -0.01 0.00 -2.05 0.00 0.00 36.82 37.56 1r2u h ILE 4 CO 0.00 0.36 -0.53 1.88 0.03 0.00 0.00 178.15 179.90 1r2u h TYR 5 N 0.00 0.32 0.15 0.16 0.05 -1.87 0.32 116.97 116.10 1r2u h TYR 5 Ca -0.00 -0.11 -0.31 0.00 0.05 0.00 0.00 58.73 58.36 1r2u h TYR 5 Cb 0.90 -0.06 0.03 0.00 1.01 0.00 0.00 36.73 38.61 1r2u h TYR 5 CO 0.00 0.73 -1.30 0.87 -1.05 0.00 0.00 178.16 177.41 1r2u h LYS 6 N 0.20 0.57 0.00 4.88 1.79 -1.78 -0.97 116.57 121.26 1r2u h LYS 6 Ca 0.00 -0.82 -0.11 0.00 -2.18 0.00 0.00 60.65 57.54 1r2u h LYS 6 Cb 1.00 0.28 -0.02 0.00 -1.58 0.00 0.00 32.23 31.91 1r2u h LYS 6 CO 0.08 1.38 -0.53 0.00 -1.08 0.00 0.00 179.45 179.29 1r2u h ALA 7 N 0.30 0.83 0.03 3.86 0.00 -1.31 -3.20 119.26 119.77 1r2u h ALA 7 Ca -0.20 -0.49 -0.26 0.00 0.00 0.00 0.00 54.91 53.96 1r2u h ALA 7 Cb 1.98 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 1r2u h ALA 7 CO 0.24 0.67 -1.35 0.00 0.00 0.00 0.00 179.25 178.81 1r2u h ALA 8 N 1.47 0.45 -0.26 0.00 0.00 -0.40 -3.31 119.26 117.20 1r2u h ALA 8 Ca -0.01 -1.13 0.03 0.00 0.00 0.00 0.00 54.91 53.81 1r2u h ALA 8 Cb 1.16 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1r2u h ALA 8 CO 0.07 1.32 0.18 -0.24 0.00 0.00 0.00 179.25 180.57 1r2u h VAL 9 N 0.02 0.99 0.00 0.00 3.04 -1.16 0.53 116.25 119.67 1r2u h VAL 9 Ca -0.15 -0.08 -0.06 0.00 -1.01 0.00 0.00 66.70 65.40 1r2u h VAL 9 Cb 1.91 0.74 -0.01 0.00 -2.01 0.00 0.00 31.29 31.92 1r2u h VAL 9 CO 0.12 0.04 -0.29 -0.33 -1.01 0.00 0.00 177.57 176.11 1r2u h GLU 10 N 0.23 0.00 0.07 4.17 5.08 -1.65 -2.61 114.58 119.88 1r2u h GLU 10 Ca 0.11 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.23 1r2u h GLU 10 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1r2u h GLU 10 CO -0.02 0.29 -1.11 1.96 -1.00 0.00 0.00 179.01 179.13 1r2u h GLN 11 N 0.00 0.19 -7.08 2.33 4.20 -1.07 -3.45 115.11 110.23 1r2u h GLN 11 Ca -0.00 -0.30 -0.48 0.00 0.06 0.00 0.00 58.65 57.93 1r2u h GLN 11 Cb 0.58 0.11 0.04 0.00 0.30 0.00 0.00 27.48 28.51 1r2u h GLN 11 CO 0.04 1.12 0.40 -0.51 -0.67 0.00 0.00 178.83 179.20 1r2u s LEU 12 N -7.09 3.81 0.35 1.46 1.43 -0.77 -5.06 118.68 112.81 1r2u s LEU 12 Ca -0.02 1.98 0.08 0.00 -1.03 0.00 0.00 54.13 55.14 1r2u s LEU 12 Cb 0.08 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.69 1r2u s LEU 12 CO 0.86 -0.90 0.12 0.42 0.23 0.00 0.00 176.35 177.08 1r2u s THR 13 N -1.95 2.82 0.34 5.49 -4.23 -1.26 -4.94 115.64 111.91 1r2u s THR 13 Ca 0.68 -1.75 0.06 0.00 -1.18 0.00 0.00 61.69 59.51 1r2u s THR 13 Cb -0.18 -2.94 0.13 0.00 1.34 0.00 0.00 72.50 70.85 1r2u s THR 13 CO 0.22 -0.16 1.85 0.44 -0.54 0.00 0.00 174.62 176.43 1r2u h ASP 14 N 1.58 0.35 -0.83 3.99 3.32 -1.97 -2.52 116.42 120.34 1r2u h ASP 14 Ca -0.43 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.50 1r2u h ASP 14 Cb 1.25 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.67 1r2u h ASP 14 CO 0.65 0.52 0.40 -0.33 -1.72 0.00 0.00 179.24 178.76 1r2u h GLU 15 N 0.34 1.20 -0.41 3.56 5.08 -1.98 0.64 114.58 123.02 1r2u h GLU 15 Ca 0.07 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1r2u h GLU 15 Cb 0.46 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1r2u h GLU 15 CO 0.03 0.93 0.25 1.96 -1.00 0.00 0.00 179.01 181.17 1r2u h GLN 16 N 1.19 0.49 -0.20 2.33 1.08 -1.86 -0.35 115.11 117.79 1r2u h GLN 16 Ca 0.29 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.35 1r2u h GLN 16 Cb 0.12 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1r2u h GLN 16 CO -0.04 0.33 -0.32 0.87 -0.95 0.00 0.00 178.83 178.72 1r2u h LYS 17 N 0.51 0.41 -0.39 1.46 6.56 -1.34 -0.64 116.57 123.14 1r2u h LYS 17 Ca 0.16 -0.17 -0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1r2u h LYS 17 Cb -0.01 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.61 1r2u h LYS 17 CO -0.06 0.69 0.22 -0.91 -2.06 0.00 0.00 179.45 177.33 1r2u h ASN 18 N 0.36 0.47 -0.39 0.86 2.35 -0.11 0.42 115.58 119.54 1r2u h ASN 18 Ca 0.05 -0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.63 1r2u h ASN 18 Cb 0.73 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 1r2u h ASN 18 CO 0.06 0.40 -0.15 -0.33 -1.65 0.00 0.00 177.43 175.76 1r2u h GLU 19 N 0.50 0.79 -0.98 0.81 5.08 -0.91 -2.85 114.58 117.02 1r2u h GLU 19 Ca 0.14 -0.33 0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1r2u h GLU 19 Cb 0.03 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.18 1r2u h GLU 19 CO -0.02 0.95 0.64 0.74 -1.00 0.00 0.00 179.01 180.32 1r2u h PHE 20 N 0.60 1.18 -0.36 4.33 -1.00 -0.80 0.29 116.94 121.18 1r2u h PHE 20 Ca 0.09 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.88 1r2u h PHE 20 Cb 0.69 -0.39 -0.02 0.00 3.61 0.00 0.00 35.95 39.85 1r2u h PHE 20 CO 0.05 0.64 0.14 -0.22 -1.61 0.00 0.00 178.31 177.31 1r2u h LYS 21 N 1.18 0.55 -0.26 1.51 1.63 -0.78 0.47 116.57 120.87 1r2u h LYS 21 Ca 0.41 -0.11 -0.07 0.00 -0.85 0.00 0.00 60.65 60.04 1r2u h LYS 21 Cb 0.11 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 1r2u h LYS 21 CO -0.15 0.55 -0.10 0.00 -3.45 0.00 0.00 179.45 176.30 1r2u h ALA 22 N 0.98 0.37 0.00 5.00 0.00 -1.18 0.95 119.26 125.37 1r2u h ALA 22 Ca 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1r2u h ALA 22 Cb 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1r2u h ALA 22 CO -0.01 0.21 -0.07 0.00 0.00 0.00 0.00 179.25 179.38 1r2u h ALA 23 N 0.75 1.39 0.00 0.00 0.00 -0.32 -1.57 119.26 119.51 1r2u h ALA 23 Ca 0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1r2u h ALA 23 Cb 0.59 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1r2u h ALA 23 CO 0.03 0.09 -0.41 0.35 0.00 0.00 0.00 179.25 179.31 1r2u h PHE 24 N 0.00 0.00 -0.96 0.00 3.57 -0.60 -3.36 116.94 115.60 1r2u h PHE 24 Ca -0.00 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.63 1r2u h PHE 24 Cb 0.19 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.85 1r2u h PHE 24 CO 0.00 0.70 0.61 0.22 -2.23 0.00 0.00 178.31 177.61 1r2u h ASP 25 N -1.00 0.82 -0.78 0.41 3.58 -0.69 0.42 116.42 119.17 1r2u h ASP 25 Ca -0.09 0.05 0.08 0.00 0.42 0.00 0.00 57.03 57.49 1r2u h ASP 25 Cb 0.74 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.62 1r2u h ASP 25 CO -0.05 0.42 0.51 0.16 -2.88 0.00 0.00 179.24 177.40 1r2u h ILE 26 N 0.87 0.98 0.01 2.25 3.07 -1.46 -0.91 117.51 122.31 1r2u h ILE 26 Ca 0.48 -0.26 -0.24 0.00 1.55 0.00 0.00 64.86 66.38 1r2u h ILE 26 Cb 0.59 0.15 -0.04 0.00 -0.27 0.00 0.00 36.82 37.25 1r2u h ILE 26 CO -0.24 0.14 -1.28 -0.26 -1.05 0.00 0.00 178.15 175.45 1r2u h PHE 27 N 0.76 0.02 -0.63 0.16 -1.00 -1.34 -3.30 116.94 111.62 1r2u h PHE 27 Ca 0.35 -0.02 -0.36 0.00 2.81 0.00 0.00 57.97 60.76 1r2u h PHE 27 Cb 0.37 -0.00 -0.19 0.00 3.61 0.00 0.00 35.95 39.74 1r2u h PHE 27 CO -0.00 1.02 0.46 -0.89 -1.61 0.00 0.00 178.31 177.28 1r2u n ILE 28 N -3.24 2.59 -0.04 -0.55 2.08 0.00 -4.42 119.36 115.78 1r2u n ILE 28 Ca -0.07 -1.46 -0.01 0.00 0.56 0.00 0.00 62.75 61.77 1r2u n ILE 28 Cb 0.99 -0.86 0.25 0.00 -0.75 0.00 0.00 39.64 39.26 1r2u n ILE 28 CO 0.00 0.00 0.00 0.06 0.56 0.00 0.00 176.55 177.17 1r2u h GLN 29 N 0.94 0.63 -0.27 0.38 3.07 -1.36 -3.35 115.11 115.15 1r2u h GLN 29 Ca 0.39 -0.14 -0.24 0.00 0.09 0.00 0.00 58.65 58.75 1r2u h GLN 29 Cb 1.77 -0.09 -0.23 0.00 0.08 0.00 0.00 27.48 29.01 1r2u h GLN 29 CO 0.79 0.63 -0.60 -0.40 0.09 0.00 0.00 178.83 179.35 1r2u n ASP 30 N -4.26 -0.74 -4.79 0.06 5.68 -1.26 -5.13 116.55 106.11 1r2u n ASP 30 Ca 0.02 -2.43 -0.30 0.00 -0.50 0.00 0.00 54.79 51.58 1r2u n ASP 30 Cb 0.25 0.46 0.09 0.00 -1.14 0.00 0.00 41.12 40.79 1r2u n ASP 30 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1r2u s ALA 31 N -0.94 2.19 -0.12 2.12 0.00 -1.26 -5.01 121.76 118.75 1r2u s ALA 31 Ca 0.21 -0.10 -0.19 0.00 0.00 0.00 0.00 51.96 51.88 1r2u s ALA 31 Cb 0.42 -3.15 -0.26 0.00 0.00 0.00 0.00 23.12 20.13 1r2u s ALA 31 CO -0.06 -1.77 0.58 0.93 0.00 0.00 0.00 175.76 175.44 1r2u h GLU 32 N -1.12 0.18 -0.31 0.00 4.39 -1.97 -3.38 114.58 112.36 1r2u h GLU 32 Ca -0.47 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 58.93 1r2u h GLU 32 Cb 1.26 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1r2u h GLU 32 CO 0.57 1.15 0.00 -0.25 -1.16 0.00 0.00 179.01 179.32 1r2u n ASP 33 N -4.12 2.83 -2.15 1.42 9.92 -1.26 -4.99 116.55 118.20 1r2u n ASP 33 Ca -0.23 -1.95 -0.09 0.00 -0.53 0.00 0.00 54.79 51.99 1r2u n ASP 33 Cb 0.80 -0.21 0.04 0.00 -0.64 0.00 0.00 41.12 41.11 1r2u n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r2u n GLY 34 N 0.52 0.09 3.65 0.44 0.00 -1.26 -5.05 105.19 103.58 1r2u n GLY 34 Ca 0.11 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 1r2u n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2u n ILE 36 N -0.39 0.00 -3.32 0.00 -6.64 -0.55 -4.82 119.36 103.63 1r2u n ILE 36 Ca -0.05 -1.46 -0.38 0.00 -1.77 0.00 0.00 62.75 59.08 1r2u n ILE 36 Cb 0.61 -0.70 -0.06 0.00 -1.44 0.00 0.00 39.64 38.06 1r2u n ILE 36 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 1r2u s SER 37 N -3.90 6.85 0.23 7.28 0.15 -1.26 -0.34 113.70 122.71 1r2u s SER 37 Ca 0.49 1.01 -0.08 0.00 0.70 0.00 0.00 55.95 58.07 1r2u s SER 37 Cb -0.04 -2.31 0.25 0.00 -1.71 0.00 0.00 66.02 62.21 1r2u s SER 37 CO 0.31 0.15 1.87 0.71 1.20 0.00 0.00 173.24 177.48 1r2u h THR 38 N 4.14 1.13 0.00 6.45 1.35 -1.74 -0.35 112.91 123.89 1r2u h THR 38 Ca -0.46 -0.36 -0.02 0.00 -0.55 0.00 0.00 66.41 65.03 1r2u h THR 38 Cb 1.20 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.62 1r2u h THR 38 CO 0.69 0.19 -0.09 0.07 -0.25 0.00 0.00 175.52 176.13 1r2u h LYS 39 N 1.04 0.00 -0.55 4.72 2.10 -1.94 -2.49 116.57 119.46 1r2u h LYS 39 Ca 0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 1r2u h LYS 39 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1r2u h LYS 39 CO -0.11 0.09 0.00 -1.91 -2.00 0.00 0.00 179.45 175.52 1r2u n GLU 40 N -3.30 4.12 -0.18 0.07 2.13 -0.22 -4.46 120.64 118.81 1r2u n GLU 40 Ca -0.00 -2.98 -0.11 0.00 0.66 0.00 0.00 57.16 54.73 1r2u n GLU 40 Cb 0.30 -2.03 0.01 0.00 0.27 0.00 0.00 31.44 29.98 1r2u n GLU 40 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1r2u h LEU 41 N 3.63 1.03 -1.99 4.31 6.46 -0.88 -2.24 115.31 125.62 1r2u h LEU 41 Ca 0.00 -0.37 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 1r2u h LEU 41 Cb 1.67 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 41.32 1r2u h LEU 41 CO 0.34 1.16 0.00 1.23 -0.62 0.00 0.00 178.44 180.55 1r2u h GLY 42 N 0.88 0.00 0.98 3.75 0.00 -1.81 -2.61 103.07 104.27 1r2u h GLY 42 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.12 1r2u h GLY 42 CO 0.06 0.00 -1.72 1.70 0.00 0.00 0.00 176.54 176.58 1r2u h LYS 43 N 0.00 0.31 -0.10 4.80 1.63 -1.72 -3.30 116.57 118.18 1r2u h LYS 43 Ca 0.00 -0.52 -0.10 0.00 -0.85 0.00 0.00 60.65 59.18 1r2u h LYS 43 Cb 0.20 0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1r2u h LYS 43 CO 0.00 1.19 -0.38 -0.39 -3.45 0.00 0.00 179.45 176.42 1r2u h VAL 44 N 0.08 1.29 0.00 2.00 -1.51 -1.09 -2.79 116.25 114.24 1r2u h VAL 44 Ca -0.32 -1.42 -0.10 0.00 -1.23 0.00 0.00 66.70 63.63 1r2u h VAL 44 Cb 2.06 1.64 -0.01 0.00 -2.13 0.00 0.00 31.29 32.84 1r2u h VAL 44 CO 0.15 0.42 -0.46 0.24 -1.23 0.00 0.00 177.57 176.69 1r2u h MET 45 N 0.18 0.00 -0.75 5.19 2.86 -1.65 -3.09 114.93 117.68 1r2u h MET 45 Ca 0.02 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1r2u h MET 45 Cb 0.75 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.38 1r2u h MET 45 CO 0.06 0.46 0.45 0.00 1.06 0.00 0.00 176.91 178.94 1r2u h ARG 46 N 0.00 1.01 -0.55 1.72 3.08 -1.57 -1.82 114.38 116.26 1r2u h ARG 46 Ca -0.00 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1r2u h ARG 46 Cb 0.94 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 1r2u h ARG 46 CO 0.06 0.72 0.27 1.98 -1.07 0.00 0.00 179.97 181.93 1r2u h MET 47 N 1.02 0.76 -0.41 0.04 4.05 -1.57 -2.45 114.93 116.38 1r2u h MET 47 Ca 0.27 -0.09 -0.04 0.00 -0.28 0.00 0.00 59.70 59.56 1r2u h MET 47 Cb -0.03 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.60 1r2u h MET 47 CO -0.05 0.59 0.09 1.25 0.23 0.00 0.00 176.91 179.01 1r2u h LEU 48 N 0.77 0.63 0.00 3.39 7.12 -1.38 -3.47 115.31 122.37 1r2u h LEU 48 Ca 0.19 -0.24 0.00 0.00 0.13 0.00 0.00 57.88 57.96 1r2u h LEU 48 Cb 0.07 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.03 1r2u h LEU 48 CO -0.03 0.71 0.00 0.61 -0.13 0.00 0.00 178.44 179.61 1r2u n GLY 49 N -0.55 -0.01 3.03 3.75 0.00 -0.76 -5.13 105.19 105.52 1r2u n GLY 49 Ca -0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 1r2u n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r2u s GLN 50 N 0.00 0.41 -0.40 1.61 -0.21 -1.14 -5.01 119.66 114.92 1r2u s GLN 50 Ca 0.00 -0.65 0.07 0.00 0.02 0.00 0.00 55.36 54.80 1r2u s GLN 50 Cb 0.00 0.15 0.23 0.00 1.00 0.00 0.00 33.01 34.39 1r2u s GLN 50 CO 0.00 -0.08 0.48 -1.71 -2.12 0.00 0.00 175.29 171.86 1r2u n ASN 51 N 1.31 0.06 -2.19 5.90 2.85 -1.26 -4.31 115.26 117.62 1r2u n ASN 51 Ca -0.22 -2.62 0.00 0.00 -0.11 0.00 0.00 54.58 51.63 1r2u n ASN 51 Cb 0.56 -0.62 0.00 0.00 1.24 0.00 0.00 39.78 40.96 1r2u n ASN 51 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1r2u n PRO 52 N 1.76 0.59 -3.69 1.20 -0.04 -1.26 -5.12 135.00 128.43 1r2u n PRO 52 Ca 0.23 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.46 1r2u n PRO 52 Cb 0.52 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.96 1r2u n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1r2u s THR 53 N -0.31 2.22 0.18 0.52 -4.23 -1.26 -4.97 115.64 107.80 1r2u s THR 53 Ca 0.00 -1.41 0.15 0.00 -1.18 0.00 0.00 61.69 59.26 1r2u s THR 53 Cb 0.00 -2.63 0.06 0.00 1.34 0.00 0.00 72.50 71.27 1r2u s THR 53 CO 0.00 0.00 1.65 1.55 -0.54 0.00 0.00 174.62 177.28 1r2u h PRO 54 N 0.90 0.00 0.14 3.99 0.13 -1.99 -1.95 132.00 133.23 1r2u h PRO 54 Ca -0.39 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.42 1r2u h PRO 54 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1r2u h PRO 54 CO 0.57 0.50 -1.55 0.93 -0.23 0.00 0.00 178.00 178.22 1r2u h GLU 55 N 0.00 0.30 0.34 0.86 5.08 -1.99 -3.08 114.58 116.10 1r2u h GLU 55 Ca -0.00 -0.52 -0.02 0.00 -1.00 0.00 0.00 59.36 57.82 1r2u h GLU 55 Cb 1.03 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1r2u h GLU 55 CO 0.06 1.19 -0.16 1.49 -1.00 0.00 0.00 179.01 180.59 1r2u h GLU 56 N 0.08 -0.44 0.00 2.33 4.57 -1.95 -2.37 114.58 116.81 1r2u h GLU 56 Ca -0.26 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 57.93 1r2u h GLU 56 Cb 2.04 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 30.73 1r2u h GLU 56 CO 0.18 -0.12 -0.11 1.37 -1.18 0.00 0.00 179.01 179.14 1r2u h LEU 57 N -0.78 0.00 -0.14 1.64 -0.00 -1.53 -2.40 115.31 112.10 1r2u h LEU 57 Ca -0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.79 1r2u h LEU 57 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.17 1r2u h LEU 57 CO 0.08 0.11 -0.08 -0.61 -0.00 0.00 0.00 178.44 177.94 1r2u h GLN 58 N 0.00 0.31 -0.44 0.17 5.75 -1.45 -2.70 115.11 116.75 1r2u h GLN 58 Ca -0.00 -0.14 -0.03 0.00 -0.15 0.00 0.00 58.65 58.32 1r2u h GLN 58 Cb 0.32 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 1r2u h GLN 58 CO 0.01 0.65 0.14 0.93 -2.65 0.00 0.00 178.83 177.91 1r2u h GLU 59 N -0.03 0.65 -0.60 1.69 5.08 -1.08 -2.60 114.58 117.68 1r2u h GLU 59 Ca 0.03 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1r2u h GLU 59 Cb 0.56 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1r2u h GLU 59 CO 0.02 0.57 0.36 0.52 -1.00 0.00 0.00 179.01 179.48 1r2u h MET 60 N 0.64 0.82 0.05 2.33 2.86 -1.33 -1.45 114.93 118.85 1r2u h MET 60 Ca 0.15 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1r2u h MET 60 Cb 0.20 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 1r2u h MET 60 CO -0.01 0.59 -0.05 0.82 1.06 0.00 0.00 176.91 179.33 1r2u h ILE 61 N 0.81 0.00 -0.99 -1.22 2.04 -1.13 0.15 117.51 117.17 1r2u h ILE 61 Ca 0.22 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.31 1r2u h ILE 61 Cb -0.01 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 35.98 1r2u h ILE 61 CO -0.04 0.00 0.64 -0.78 0.00 0.00 0.00 178.15 177.97 1r2u h ASP 62 N -0.10 0.45 0.51 1.72 3.58 -1.57 0.13 116.42 121.14 1r2u h ASP 62 Ca -0.01 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 1r2u h ASP 62 Cb 0.08 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.13 1r2u h ASP 62 CO -0.00 0.13 -0.24 -0.33 -2.88 0.00 0.00 179.24 175.92 1r2u h GLU 63 N 0.43 -0.66 0.00 0.28 5.08 -0.97 -3.18 114.58 115.55 1r2u h GLU 63 Ca 0.55 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.91 1r2u h GLU 63 Cb 1.34 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 1r2u h GLU 63 CO -0.25 -0.35 -0.20 -0.39 -1.00 0.00 0.00 179.01 176.82 1r2u h VAL 64 N -0.97 1.02 -0.57 3.13 -1.51 -0.05 -3.38 116.25 113.91 1r2u h VAL 64 Ca -0.07 -0.71 -0.28 0.00 -1.23 0.00 0.00 66.70 64.41 1r2u h VAL 64 Cb 0.61 1.39 -0.04 0.00 -2.13 0.00 0.00 31.29 31.12 1r2u h VAL 64 CO 0.11 0.19 0.81 -0.62 -1.23 0.00 0.00 177.57 176.84 1r2u s ASP 65 N -6.79 4.97 0.31 4.19 -1.08 0.38 -4.63 116.67 114.03 1r2u s ASP 65 Ca -0.03 -1.06 0.01 0.00 -0.52 0.00 0.00 52.55 50.95 1r2u s ASP 65 Cb 0.15 -2.57 0.52 0.00 -1.46 0.00 0.00 42.92 39.55 1r2u s ASP 65 CO 0.67 -3.02 1.88 -0.33 0.52 0.00 0.00 175.17 174.90 1r2u h GLU 66 N 10.73 0.72 0.05 4.34 5.08 -1.83 -3.16 114.58 130.50 1r2u h GLU 66 Ca 0.14 -0.13 -0.35 0.00 -1.00 0.00 0.00 59.36 58.02 1r2u h GLU 66 Cb 0.98 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 1r2u h GLU 66 CO 1.20 0.64 -2.05 -0.40 -1.00 0.00 0.00 179.01 177.40 1r2u n ASP 67 N -4.31 1.38 -2.19 1.42 5.68 -1.26 -5.03 116.55 112.24 1r2u n ASP 67 Ca 0.03 0.18 -0.07 0.00 -0.50 0.00 0.00 54.79 54.43 1r2u n ASP 67 Cb 0.20 -0.25 0.04 0.00 -1.14 0.00 0.00 41.12 39.97 1r2u n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r2u n GLY 68 N 1.86 0.03 0.12 6.12 0.00 -1.20 -5.00 105.19 107.13 1r2u n GLY 68 Ca -0.30 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 1r2u n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r2u n SER 69 N -2.11 1.97 0.00 1.61 3.41 -1.26 -5.02 113.62 112.22 1r2u n SER 69 Ca -0.09 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1r2u n SER 69 Cb 0.57 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1r2u n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r2u n GLY 70 N 1.64 0.64 3.44 5.00 0.00 -1.26 -5.14 105.19 109.51 1r2u n GLY 70 Ca -0.37 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 1r2u n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r2u s THR 71 N 0.00 2.53 -0.33 2.61 -4.23 -1.26 -2.14 115.64 112.83 1r2u s THR 71 Ca 0.00 -1.70 -0.12 0.00 -1.18 0.00 0.00 61.69 58.69 1r2u s THR 71 Cb 0.00 -2.16 -0.02 0.00 1.34 0.00 0.00 72.50 71.66 1r2u s THR 71 CO 0.00 0.05 0.21 -0.69 -0.54 0.00 0.00 174.62 173.65 1r2u s VAL 72 N -1.21 5.08 0.77 2.29 1.01 0.54 -4.80 120.40 124.09 1r2u s VAL 72 Ca 0.17 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 1r2u s VAL 72 Cb -0.10 -3.59 0.10 0.00 0.00 0.00 0.00 36.38 32.80 1r2u s VAL 72 CO 0.09 0.04 1.08 -1.81 0.00 0.00 0.00 175.10 174.50 1r2u s ASP 73 N 1.69 4.36 0.38 3.32 1.01 -1.26 -1.48 116.67 124.70 1r2u s ASP 73 Ca 0.06 0.29 0.07 0.00 0.71 0.00 0.00 52.55 53.68 1r2u s ASP 73 Cb -0.17 -0.76 0.77 0.00 1.01 0.00 0.00 42.92 43.76 1r2u s ASP 73 CO 0.09 -1.90 1.96 0.15 0.21 0.00 0.00 175.17 175.68 1r2u h PHE 74 N -0.83 0.43 -0.42 4.23 3.57 -1.98 0.44 116.94 122.38 1r2u h PHE 74 Ca -0.43 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 60.98 1r2u h PHE 74 Cb 1.29 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 1r2u h PHE 74 CO -0.07 0.40 0.00 -0.44 -2.23 0.00 0.00 178.31 175.97 1r2u h ASP 75 N 0.42 0.65 1.40 0.41 5.19 -1.98 0.12 116.42 122.62 1r2u h ASP 75 Ca 0.10 -0.14 -0.06 0.00 -0.62 0.00 0.00 57.03 56.31 1r2u h ASP 75 Cb 0.21 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 1r2u h ASP 75 CO 0.00 0.72 -0.62 -0.33 -3.12 0.00 0.00 179.24 175.89 1r2u h GLU 76 N 0.65 0.00 0.04 3.56 5.08 -1.58 -2.98 114.58 119.34 1r2u h GLU 76 Ca 0.13 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.25 1r2u h GLU 76 Cb 0.40 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.66 1r2u h GLU 76 CO 0.02 0.18 -1.03 0.35 -1.00 0.00 0.00 179.01 177.52 1r2u h PHE 77 N 0.00 0.66 0.12 4.33 3.57 0.50 -3.26 116.94 122.86 1r2u h PHE 77 Ca -0.03 -0.38 -0.30 0.00 3.53 0.00 0.00 57.97 60.79 1r2u h PHE 77 Cb 1.20 -0.06 0.03 0.00 2.79 0.00 0.00 35.95 39.90 1r2u h PHE 77 CO 0.00 1.22 -1.24 -0.07 -2.23 0.00 0.00 178.31 175.99 1r2u h LEU 78 N 0.22 0.85 -2.13 0.59 3.38 -0.87 -3.27 115.31 114.08 1r2u h LEU 78 Ca -0.10 -0.79 0.02 0.00 0.09 0.00 0.00 57.88 57.10 1r2u h LEU 78 Cb 1.69 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.17 1r2u h LEU 78 CO 0.18 1.59 0.06 -0.37 0.09 0.00 0.00 178.44 179.99 1r2u h VAL 79 N 0.27 0.81 -1.07 1.22 -1.51 -1.63 -2.62 116.25 111.71 1r2u h VAL 79 Ca -0.18 0.00 0.36 0.00 -1.23 0.00 0.00 66.70 65.65 1r2u h VAL 79 Cb 1.92 0.96 -0.15 0.00 -2.13 0.00 0.00 31.29 31.89 1r2u h VAL 79 CO 0.24 0.00 0.63 0.24 -1.23 0.00 0.00 177.57 177.45 1r2u h MET 80 N 0.00 0.21 0.20 5.19 2.86 -1.61 0.68 114.93 122.46 1r2u h MET 80 Ca 0.04 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1r2u h MET 80 Cb 0.15 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1r2u h MET 80 CO -0.00 0.14 -0.10 0.52 1.06 0.00 0.00 176.91 178.53 1r2u h MET 81 N 0.22 -0.26 -0.04 1.72 2.07 -1.70 -3.22 114.93 113.72 1r2u h MET 81 Ca 0.77 0.02 -0.05 0.00 -2.07 0.00 0.00 59.70 58.36 1r2u h MET 81 Cb 1.97 0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 31.75 1r2u h MET 81 CO -0.58 0.13 -0.21 -0.39 1.07 0.00 0.00 176.91 176.93 1r2u h VAL 82 N -0.89 1.17 0.00 -2.22 -1.51 -1.36 -2.18 116.25 109.26 1r2u h VAL 82 Ca -0.03 -0.80 -0.01 0.00 -1.23 0.00 0.00 66.70 64.63 1r2u h VAL 82 Cb 0.51 1.38 -0.00 0.00 -2.13 0.00 0.00 31.29 31.04 1r2u h VAL 82 CO 0.05 0.23 -0.07 0.03 -1.23 0.00 0.00 177.57 176.58 1r2u h ARG 83 N 0.06 0.00 0.00 5.19 2.47 0.23 -2.17 114.38 120.15 1r2u h ARG 83 Ca 0.01 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 1r2u h ARG 83 Cb 0.40 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1r2u h ARG 83 CO 0.03 0.07 -0.07 0.00 0.56 0.00 0.00 179.97 180.55 1r2u h MET 85 N 0.00 0.33 -2.74 0.00 1.85 -1.56 -3.49 114.93 109.32 1r2u h MET 85 Ca -0.00 -0.12 0.31 0.00 -0.61 0.00 0.00 59.70 59.29 1r2u h MET 85 Cb 0.18 -0.02 -0.11 0.00 0.43 0.00 0.00 31.60 32.08 1r2u h MET 85 CO 0.01 0.57 -0.63 1.63 -0.40 0.00 0.00 176.91 178.10 1r2u n LYS 86 N -4.68 -2.52 -3.44 0.39 4.76 -0.97 -4.97 118.16 106.73 1r2u n LYS 86 Ca -0.05 1.80 -0.04 0.00 -2.87 0.00 0.00 58.31 57.15 1r2u n LYS 86 Cb 0.25 -3.03 -0.06 0.00 -1.84 0.00 0.00 35.03 30.35 1r2u n LYS 86 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1r2u s ASP 87 N -6.62 -0.59 -0.37 4.39 -1.08 -1.26 -4.99 116.67 106.16 1r2u s ASP 87 Ca 0.00 0.86 -0.28 0.00 -0.52 0.00 0.00 52.55 52.61 1r2u s ASP 87 Cb 0.00 1.68 -0.01 0.00 -1.46 0.00 0.00 42.92 43.14 1r2u s ASP 87 CO 0.00 -0.26 1.65 -0.62 0.52 0.00 0.00 175.17 176.46 1r2u s ASP 88 N 2.71 6.05 0.00 -0.34 2.15 -1.26 -5.21 116.67 120.78 1r2u s ASP 88 Ca 0.08 1.10 0.00 0.00 0.43 0.00 0.00 52.55 54.15 1r2u s ASP 88 Cb -0.14 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1r2u s ASP 88 CO -0.17 -1.62 0.47 -0.24 -0.17 0.00 0.00 175.17 173.44