#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 -7.70 -1.10 6.12 5.03 -1.26 -4.95 115.26 111.41 1r2u n ASN 2 Ca 0.00 0.41 0.10 0.00 0.87 0.00 0.00 54.58 55.96 1r2u n ASN 2 Cb 0.00 -5.02 0.24 0.00 -1.02 0.00 0.00 39.78 33.97 1r2u n ASN 2 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 1r2u n ASP 3 N -0.44 3.49 0.22 6.41 5.75 -1.26 -4.39 116.55 126.32 1r2u n ASP 3 Ca 0.09 -1.97 0.07 0.00 -0.01 0.00 0.00 54.79 52.97 1r2u n ASP 3 Cb 0.49 -0.34 0.49 0.00 -1.03 0.00 0.00 41.12 40.73 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 3.75 0.87 -0.34 2.12 -2.65 -1.98 -2.03 117.51 117.25 1r2u h ILE 4 Ca 0.00 -1.06 -0.11 0.00 1.03 0.00 0.00 64.86 64.71 1r2u h ILE 4 Cb 0.91 1.63 -0.01 0.00 -2.05 0.00 0.00 36.82 37.30 1r2u h ILE 4 CO 0.00 0.27 -0.25 1.88 0.03 0.00 0.00 178.15 180.07 1r2u h TYR 5 N 0.00 0.77 -0.11 0.16 0.05 -1.98 0.31 116.97 116.17 1r2u h TYR 5 Ca -0.00 -0.18 -0.21 0.00 0.05 0.00 0.00 58.73 58.39 1r2u h TYR 5 Cb 0.61 -0.18 0.01 0.00 1.01 0.00 0.00 36.73 38.18 1r2u h TYR 5 CO 0.00 0.86 -0.75 0.87 -1.05 0.00 0.00 178.16 178.09 1r2u h LYS 6 N 0.59 0.71 -0.31 4.88 1.79 -1.77 -1.52 116.57 120.93 1r2u h LYS 6 Ca 0.08 -0.61 -0.11 0.00 -2.18 0.00 0.00 60.65 57.83 1r2u h LYS 6 Cb 0.74 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 1r2u h LYS 6 CO 0.06 1.22 -0.25 0.00 -1.08 0.00 0.00 179.45 179.39 1r2u h ALA 7 N 0.50 0.97 -0.16 3.86 0.00 -1.25 -2.81 119.26 120.37 1r2u h ALA 7 Ca -0.06 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 1r2u h ALA 7 Cb 1.40 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1r2u h ALA 7 CO 0.15 0.60 -0.46 0.00 0.00 0.00 0.00 179.25 179.54 1r2u h ALA 8 N 1.18 0.91 -0.58 0.00 0.00 -0.34 -3.12 119.26 117.31 1r2u h ALA 8 Ca 0.07 -0.46 0.06 0.00 0.00 0.00 0.00 54.91 54.58 1r2u h ALA 8 Cb 0.72 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1r2u h ALA 8 CO 0.06 0.65 0.29 0.28 0.00 0.00 0.00 179.25 180.52 1r2u h VAL 9 N 0.32 0.92 0.00 0.00 2.07 -1.00 0.38 116.25 118.94 1r2u h VAL 9 Ca 0.02 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1r2u h VAL 9 Cb 0.94 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1r2u h VAL 9 CO 0.08 0.10 0.00 -0.62 0.02 0.00 0.00 177.57 177.15 1r2u n GLU 10 N -4.88 0.43 -0.03 1.57 1.02 -1.20 -3.47 120.64 114.09 1r2u n GLU 10 Ca 0.07 0.03 0.01 0.00 -0.02 0.00 0.00 57.16 57.25 1r2u n GLU 10 Cb 0.18 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.00 1r2u n GLU 10 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1r2u n GLN 11 N -1.26 1.10 -1.28 3.49 1.13 -0.19 -5.02 117.38 115.35 1r2u n GLN 11 Ca 0.14 -0.07 -0.30 0.00 -1.94 0.00 0.00 57.00 54.83 1r2u n GLN 11 Cb 0.20 -1.30 0.12 0.00 0.11 0.00 0.00 30.24 29.38 1r2u n GLN 11 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 1r2u s LEU 12 N -4.28 2.48 0.37 1.08 0.05 0.12 -5.07 118.68 113.42 1r2u s LEU 12 Ca -0.05 1.52 0.08 0.00 0.05 0.00 0.00 54.13 55.74 1r2u s LEU 12 Cb 0.06 -4.04 -0.06 0.00 -2.05 0.00 0.00 46.19 40.10 1r2u s LEU 12 CO 0.50 -2.39 0.02 0.42 -0.55 0.00 0.00 176.35 174.35 1r2u s THR 13 N -2.97 2.34 0.37 5.48 -4.23 -1.26 -5.01 115.64 110.37 1r2u s THR 13 Ca 0.62 -1.98 0.11 0.00 -1.18 0.00 0.00 61.69 59.26 1r2u s THR 13 Cb -0.17 -2.85 0.12 0.00 1.34 0.00 0.00 72.50 70.94 1r2u s THR 13 CO 0.56 -0.12 1.85 -0.78 -0.54 0.00 0.00 174.62 175.60 1r2u h ASP 14 N 1.78 0.12 -0.42 3.99 3.58 -2.00 -2.80 116.42 120.67 1r2u h ASP 14 Ca -0.43 -0.03 -0.11 0.00 0.42 0.00 0.00 57.03 56.88 1r2u h ASP 14 Cb 1.25 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.25 1r2u h ASP 14 CO 0.72 0.40 -0.12 -0.33 -2.88 0.00 0.00 179.24 177.02 1r2u h GLU 15 N 0.11 0.88 -0.20 0.28 5.08 -1.98 -1.27 114.58 117.49 1r2u h GLU 15 Ca 0.02 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1r2u h GLU 15 Cb 0.55 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1r2u h GLU 15 CO 0.04 0.96 0.10 -0.56 -1.00 0.00 0.00 179.01 178.55 1r2u h GLN 16 N 0.79 0.26 0.00 2.33 -0.00 -1.91 -0.10 115.11 116.49 1r2u h GLN 16 Ca 0.13 -0.02 -0.23 0.00 -0.00 0.00 0.00 58.65 58.52 1r2u h GLN 16 Cb 0.65 -0.06 -0.04 0.00 -0.00 0.00 0.00 27.48 28.03 1r2u h GLN 16 CO 0.05 0.20 -1.24 0.87 -0.00 0.00 0.00 178.83 178.70 1r2u h LYS 17 N 0.27 0.00 -0.47 0.06 6.56 -1.52 -2.48 116.57 118.99 1r2u h LYS 17 Ca 0.07 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.59 1r2u h LYS 17 Cb 0.02 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.66 1r2u h LYS 17 CO -0.01 0.74 -0.00 -0.91 -2.06 0.00 0.00 179.45 177.21 1r2u h ASN 18 N 0.00 0.82 -0.21 0.86 2.35 -0.24 0.35 115.58 119.51 1r2u h ASN 18 Ca -0.12 -0.31 -0.20 0.00 -0.55 0.00 0.00 56.30 55.12 1r2u h ASN 18 Cb 1.82 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 39.98 1r2u h ASN 18 CO 0.10 0.93 -0.66 -0.33 -1.65 0.00 0.00 177.43 175.82 1r2u h GLU 19 N 0.69 0.82 -0.40 0.81 5.08 -1.15 -1.63 114.58 118.80 1r2u h GLU 19 Ca 0.13 -0.60 -0.04 0.00 -1.00 0.00 0.00 59.36 57.86 1r2u h GLU 19 Cb 0.51 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1r2u h GLU 19 CO 0.02 1.22 0.10 0.74 -1.00 0.00 0.00 179.01 180.10 1r2u h PHE 20 N 0.57 0.66 0.17 4.33 -1.00 -1.31 0.29 116.94 120.66 1r2u h PHE 20 Ca -0.02 -0.07 -0.01 0.00 2.81 0.00 0.00 57.97 60.67 1r2u h PHE 20 Cb 1.28 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 40.65 1r2u h PHE 20 CO 0.08 0.63 -0.08 -0.22 -1.61 0.00 0.00 178.31 177.11 1r2u h LYS 21 N 0.50 -0.23 -0.38 1.51 1.63 -0.31 -0.97 116.57 118.32 1r2u h LYS 21 Ca 0.13 0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.96 1r2u h LYS 21 Cb 0.30 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.95 1r2u h LYS 21 CO -0.00 0.02 0.21 0.00 -3.45 0.00 0.00 179.45 176.23 1r2u h ALA 22 N 0.33 0.47 0.00 5.00 0.00 -1.26 0.16 119.26 123.95 1r2u h ALA 22 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1r2u h ALA 22 Cb 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1r2u h ALA 22 CO 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.15 1r2u h ALA 23 N 1.18 1.00 0.00 0.00 0.00 -0.36 -1.71 119.26 119.37 1r2u h ALA 23 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1r2u h ALA 23 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1r2u h ALA 23 CO -0.08 0.00 -0.63 0.35 0.00 0.00 0.00 179.25 178.89 1r2u h PHE 24 N 0.00 0.00 0.00 0.00 3.57 0.37 -3.38 116.94 117.50 1r2u h PHE 24 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1r2u h PHE 24 Cb 0.13 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 1r2u h PHE 24 CO 0.00 0.53 -0.02 0.38 -2.23 0.00 0.00 178.31 176.97 1r2u h ASP 25 N -1.00 0.00 -0.68 0.41 3.04 -0.68 -0.48 116.42 117.03 1r2u h ASP 25 Ca -0.11 0.00 0.05 0.00 -3.24 0.00 0.00 57.03 53.74 1r2u h ASP 25 Cb 0.72 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.97 1r2u h ASP 25 CO -0.06 0.02 0.45 0.16 -2.04 0.00 0.00 179.24 177.76 1r2u h ILE 26 N 0.00 1.05 0.02 4.15 3.07 -1.50 -0.65 117.51 123.64 1r2u h ILE 26 Ca -0.00 -0.26 -0.28 0.00 1.55 0.00 0.00 64.86 65.87 1r2u h ILE 26 Cb 0.03 0.24 -0.04 0.00 -0.27 0.00 0.00 36.82 36.78 1r2u h ILE 26 CO 0.00 0.14 -1.57 -0.26 -1.05 0.00 0.00 178.15 175.40 1r2u h PHE 27 N 0.75 0.07 -0.66 0.16 0.04 -1.51 -3.34 116.94 112.45 1r2u h PHE 27 Ca 0.29 -0.05 -0.39 0.00 2.80 0.00 0.00 57.97 60.62 1r2u h PHE 27 Cb 0.19 -0.00 -0.20 0.00 2.20 0.00 0.00 35.95 38.13 1r2u h PHE 27 CO -0.00 1.09 0.50 -0.89 -0.60 0.00 0.00 178.31 178.40 1r2u n ILE 28 N -3.17 2.72 0.16 -0.55 2.08 -0.27 -4.39 119.36 115.94 1r2u n ILE 28 Ca -0.15 -1.61 0.01 0.00 0.56 0.00 0.00 62.75 61.56 1r2u n ILE 28 Cb 1.03 -0.91 0.27 0.00 -0.75 0.00 0.00 39.64 39.29 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 1.07 0.00 -0.12 0.38 3.07 -1.28 -3.36 115.11 114.87 1r2u h GLN 29 Ca 0.41 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.95 1r2u h GLN 29 Cb 1.68 0.00 -0.20 0.00 0.08 0.00 0.00 27.48 29.04 1r2u h GLN 29 CO 0.87 0.48 -0.46 -3.47 0.09 0.00 0.00 178.83 176.34 1r2u n ASP 30 N -3.92 -1.04 -4.78 0.06 2.03 -1.26 -5.13 116.55 102.51 1r2u n ASP 30 Ca -0.01 -2.31 -0.31 0.00 0.52 0.00 0.00 54.79 52.68 1r2u n ASP 30 Cb 0.51 0.57 0.08 0.00 -0.72 0.00 0.00 41.12 41.56 1r2u n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r2u s ALA 31 N -0.55 2.33 -0.03 -1.67 0.00 -1.26 -4.99 121.76 115.60 1r2u s ALA 31 Ca 0.17 0.21 -0.26 0.00 0.00 0.00 0.00 51.96 52.08 1r2u s ALA 31 Cb 0.42 -3.25 -0.21 0.00 0.00 0.00 0.00 23.12 20.09 1r2u s ALA 31 CO -0.09 -1.66 1.20 0.93 0.00 0.00 0.00 175.76 176.14 1r2u h GLU 32 N -1.05 -0.02 0.00 0.00 5.08 -1.97 -3.37 114.58 113.25 1r2u h GLU 32 Ca -0.44 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.57 1r2u h GLU 32 Cb 1.23 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.42 1r2u h GLU 32 CO 0.53 0.51 -2.35 -0.25 -1.00 0.00 0.00 179.01 176.45 1r2u n ASP 33 N -4.84 0.84 0.00 1.42 9.92 -1.26 -5.02 116.55 117.61 1r2u n ASP 33 Ca -0.09 -0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 1r2u n ASP 33 Cb 0.27 0.53 0.00 0.00 -0.64 0.00 0.00 41.12 41.28 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 1.98 1.50 3.42 0.44 0.00 -1.26 -5.14 105.19 106.12 1r2u n GLY 34 Ca -0.35 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 1r2u n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2u s ILE 36 N -3.51 1.95 -0.05 0.00 -5.25 -1.02 -4.84 121.20 108.49 1r2u s ILE 36 Ca 0.32 -1.20 -0.18 0.00 -0.99 0.00 0.00 60.65 58.60 1r2u s ILE 36 Cb 0.01 -2.15 -0.05 0.00 2.95 0.00 0.00 42.46 43.22 1r2u s ILE 36 CO 0.18 0.00 0.50 -0.55 -1.79 0.00 0.00 174.94 173.28 1r2u s SER 37 N -4.51 6.81 0.36 4.36 0.15 -1.26 -0.22 113.70 119.40 1r2u s SER 37 Ca 0.51 0.97 0.06 0.00 0.70 0.00 0.00 55.95 58.18 1r2u s SER 37 Cb -0.04 -2.31 0.73 0.00 -1.71 0.00 0.00 66.02 62.69 1r2u s SER 37 CO 0.32 0.11 1.95 0.71 1.20 0.00 0.00 173.24 177.53 1r2u h THR 38 N 4.30 1.02 0.00 6.45 1.35 -1.66 0.48 112.91 124.84 1r2u h THR 38 Ca -0.45 -0.26 -0.05 0.00 -0.55 0.00 0.00 66.41 65.10 1r2u h THR 38 Cb 1.19 0.19 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 1r2u h THR 38 CO 0.70 0.14 -0.23 0.11 -0.25 0.00 0.00 175.52 176.00 1r2u h LYS 39 N 0.77 0.00 -0.57 4.72 6.56 -1.93 -3.09 116.57 123.03 1r2u h LYS 39 Ca 0.32 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.91 1r2u h LYS 39 Cb 0.26 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.92 1r2u h LYS 39 CO -0.11 0.23 0.00 0.39 -2.06 0.00 0.00 179.45 177.90 1r2u n GLU 40 N -3.22 2.57 0.29 3.15 1.02 0.11 -4.29 120.64 120.26 1r2u n GLU 40 Ca 0.02 -1.95 0.14 0.00 -0.02 0.00 0.00 57.16 55.36 1r2u n GLU 40 Cb 0.55 -1.56 0.86 0.00 -0.02 0.00 0.00 31.44 31.27 1r2u n GLU 40 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1r2u h LEU 41 N 2.97 0.00 -1.43 -4.62 3.38 -1.32 -0.74 115.31 113.54 1r2u h LEU 41 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r2u h LEU 41 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1r2u h LEU 41 CO 0.08 0.03 0.00 1.23 0.09 0.00 0.00 178.44 179.88 1r2u h GLY 42 N 0.22 0.00 0.81 0.83 0.00 -1.85 -2.65 103.07 100.43 1r2u h GLY 42 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 1r2u h GLY 42 CO 0.00 0.00 -1.02 1.70 0.00 0.00 0.00 176.54 177.22 1r2u h LYS 43 N 0.00 0.35 -0.25 4.80 1.63 -1.47 -3.13 116.57 118.51 1r2u h LYS 43 Ca 0.00 -0.60 -0.09 0.00 -0.85 0.00 0.00 60.65 59.10 1r2u h LYS 43 Cb 0.20 0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 1r2u h LYS 43 CO 0.00 1.29 -0.24 -0.39 -3.45 0.00 0.00 179.45 176.66 1r2u h VAL 44 N -0.24 1.26 -0.48 2.00 -1.51 -1.58 -2.49 116.25 113.20 1r2u h VAL 44 Ca -0.18 -1.24 -0.05 0.00 -1.23 0.00 0.00 66.70 64.00 1r2u h VAL 44 Cb 1.78 1.33 -0.02 0.00 -2.13 0.00 0.00 31.29 32.25 1r2u h VAL 44 CO 0.17 0.39 0.09 0.24 -1.23 0.00 0.00 177.57 177.24 1r2u h MET 45 N 0.42 0.75 -0.36 5.19 2.86 -1.58 -1.16 114.93 121.04 1r2u h MET 45 Ca 0.06 -0.15 -0.11 0.00 -2.06 0.00 0.00 59.70 57.44 1r2u h MET 45 Cb 0.65 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1r2u h MET 45 CO 0.05 0.70 -0.21 0.00 1.06 0.00 0.00 176.91 178.50 1r2u h ARG 46 N 0.72 0.69 -0.38 1.72 3.08 -1.40 0.16 114.38 118.96 1r2u h ARG 46 Ca 0.16 -0.26 -0.13 0.00 0.07 0.00 0.00 59.98 59.82 1r2u h ARG 46 Cb 0.31 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1r2u h ARG 46 CO 0.00 0.85 -0.27 0.52 -1.07 0.00 0.00 179.97 180.00 1r2u h MET 47 N 0.61 0.80 0.11 0.04 2.86 -0.99 -3.25 114.93 115.11 1r2u h MET 47 Ca 0.09 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 1r2u h MET 47 Cb 0.69 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1r2u h MET 47 CO 0.05 0.97 -0.05 -0.07 1.06 0.00 0.00 176.91 178.87 1r2u h LEU 48 N 0.68 -0.12 0.00 1.22 -0.00 -1.00 -3.48 115.31 112.61 1r2u h LEU 48 Ca 0.08 -0.42 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 1r2u h LEU 48 Cb 0.80 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.49 1r2u h LEU 48 CO 0.07 0.41 0.00 0.61 -0.00 0.00 0.00 178.44 179.52 1r2u n GLY 49 N 0.39 -0.42 3.28 0.83 0.00 0.03 -5.11 105.19 104.19 1r2u n GLY 49 Ca -0.08 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 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 0.61 -0.40 1.61 -0.21 0.33 -4.99 119.66 116.60 1r2u s GLN 50 Ca 0.00 0.18 0.06 0.00 0.02 0.00 0.00 55.36 55.61 1r2u s GLN 50 Cb 0.00 0.28 0.21 0.00 1.00 0.00 0.00 33.01 34.50 1r2u s GLN 50 CO 0.00 -0.14 0.44 -1.71 -2.12 0.00 0.00 175.29 171.76 1r2u n ASN 51 N 1.96 -0.31 -2.20 5.90 5.15 -1.26 -3.31 115.26 121.18 1r2u n ASN 51 Ca -0.18 -2.54 0.00 0.00 -0.60 0.00 0.00 54.58 51.27 1r2u n ASN 51 Cb 0.57 -0.50 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 1r2u n ASN 51 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1r2u n PRO 52 N 2.20 0.61 -3.40 1.20 -0.04 -1.26 -5.12 135.00 129.19 1r2u n PRO 52 Ca 0.25 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.50 1r2u n PRO 52 Cb 0.51 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.29 2.28 0.18 0.52 -4.23 -1.26 -4.95 115.64 107.89 1r2u s THR 53 Ca 0.00 -1.23 0.13 0.00 -1.18 0.00 0.00 61.69 59.42 1r2u s THR 53 Cb 0.00 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.35 1r2u s THR 53 CO 0.00 0.00 1.60 1.55 -0.54 0.00 0.00 174.62 177.23 1r2u h PRO 54 N 0.63 0.00 0.18 3.99 0.13 -1.99 -1.57 132.00 133.37 1r2u h PRO 54 Ca -0.36 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.44 1r2u h PRO 54 Cb 1.28 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 1r2u h PRO 54 CO 0.50 0.57 -1.58 0.93 -0.23 0.00 0.00 178.00 178.19 1r2u h GLU 55 N 0.00 0.38 0.16 0.86 5.08 -1.99 -2.97 114.58 116.10 1r2u h GLU 55 Ca -0.01 -0.64 -0.01 0.00 -1.00 0.00 0.00 59.36 57.70 1r2u h GLU 55 Cb 1.14 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1r2u h GLU 55 CO 0.07 1.28 -0.08 1.49 -1.00 0.00 0.00 179.01 180.78 1r2u h GLU 56 N 0.10 -0.21 -0.12 2.33 4.81 -1.95 -3.08 114.58 116.47 1r2u h GLU 56 Ca -0.28 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 1r2u h GLU 56 Cb 2.08 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.50 1r2u h GLU 56 CO 0.20 0.13 -0.03 1.25 -0.73 0.00 0.00 179.01 179.83 1r2u h LEU 57 N -0.57 0.15 -0.72 1.64 6.46 -1.45 -2.59 115.31 118.24 1r2u h LEU 57 Ca -0.02 -0.02 0.08 0.00 -0.12 0.00 0.00 57.88 57.80 1r2u h LEU 57 Cb 0.43 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.26 1r2u h LEU 57 CO 0.04 0.22 0.39 -0.61 -0.62 0.00 0.00 178.44 177.85 1r2u h GLN 58 N 0.17 0.67 -0.79 1.25 5.75 -1.43 -0.57 115.11 120.16 1r2u h GLN 58 Ca 0.04 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 1r2u h GLN 58 Cb 0.17 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.53 1r2u h GLN 58 CO 0.01 0.44 0.39 0.93 -2.65 0.00 0.00 178.83 177.95 1r2u h GLU 59 N 0.69 1.13 -0.34 1.69 5.08 -1.43 -2.61 114.58 118.80 1r2u h GLU 59 Ca 0.34 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1r2u h GLU 59 Cb 0.28 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1r2u h GLU 59 CO -0.22 0.86 0.04 0.52 -1.00 0.00 0.00 179.01 179.22 1r2u h MET 60 N 1.12 0.56 0.02 2.33 2.86 -1.26 -1.89 114.93 118.69 1r2u h MET 60 Ca 0.27 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1r2u h MET 60 Cb 0.10 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 1r2u h MET 60 CO -0.04 0.65 -0.02 0.82 1.06 0.00 0.00 176.91 179.38 1r2u h ILE 61 N 0.39 0.00 -0.95 -1.22 2.04 -0.88 0.45 117.51 117.34 1r2u h ILE 61 Ca 0.10 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.18 1r2u h ILE 61 Cb 0.37 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.37 1r2u h ILE 61 CO 0.01 0.00 0.62 -0.78 0.00 0.00 0.00 178.15 178.00 1r2u h ASP 62 N -0.05 0.44 -0.04 1.72 3.58 -1.57 0.33 116.42 120.83 1r2u h ASP 62 Ca -0.00 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 1r2u h ASP 62 Cb 0.04 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.07 1r2u h ASP 62 CO -0.00 0.15 0.01 -0.33 -2.88 0.00 0.00 179.24 176.19 1r2u h GLU 63 N 0.43 0.06 0.00 0.28 4.39 -1.06 -2.97 114.58 115.71 1r2u h GLU 63 Ca 0.51 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.19 1r2u h GLU 63 Cb 1.26 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1r2u h GLU 63 CO -0.22 0.29 -0.04 -0.39 -1.16 0.00 0.00 179.01 177.48 1r2u h VAL 64 N -0.17 0.10 -0.59 3.13 -1.51 0.12 -3.40 116.25 113.93 1r2u h VAL 64 Ca 0.01 -0.74 -0.23 0.00 -1.23 0.00 0.00 66.70 64.51 1r2u h VAL 64 Cb 0.25 1.67 -0.04 0.00 -2.13 0.00 0.00 31.29 31.05 1r2u h VAL 64 CO 0.00 0.04 0.61 -0.62 -1.23 0.00 0.00 177.57 176.37 1r2u s ASP 65 N -5.89 4.81 0.17 4.19 -1.08 0.00 -4.67 116.67 114.20 1r2u s ASP 65 Ca 0.02 -0.68 -0.05 0.00 -0.52 0.00 0.00 52.55 51.33 1r2u s ASP 65 Cb 0.08 -2.56 0.06 0.00 -1.46 0.00 0.00 42.92 39.04 1r2u s ASP 65 CO 0.59 -3.10 1.47 -0.33 0.52 0.00 0.00 175.17 174.32 1r2u h GLU 66 N 11.36 0.60 0.11 4.34 5.08 -1.85 -3.31 114.58 130.92 1r2u h GLU 66 Ca 0.09 -0.40 -0.36 0.00 -1.00 0.00 0.00 59.36 57.69 1r2u h GLU 66 Cb 0.99 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1r2u h GLU 66 CO 1.16 1.01 -1.99 -0.40 -1.00 0.00 0.00 179.01 177.80 1r2u n ASP 67 N -3.95 2.00 -1.54 1.42 5.68 -1.26 -5.01 116.55 113.89 1r2u n ASP 67 Ca -0.04 0.22 -0.07 0.00 -0.50 0.00 0.00 54.79 54.41 1r2u n ASP 67 Cb 0.63 -0.77 0.03 0.00 -1.14 0.00 0.00 41.12 39.86 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 1.96 0.40 0.11 6.12 0.00 -1.25 -4.99 105.19 107.54 1r2u n GLY 68 Ca -0.31 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.46 1.87 0.00 1.61 3.41 -1.26 -5.02 113.62 113.76 1r2u n SER 69 Ca -0.03 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1r2u n SER 69 Cb 0.53 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 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 1.43 0.90 3.69 5.00 0.00 -1.26 -5.14 105.19 109.81 1r2u n GLY 70 Ca -0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 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 3.98 -0.29 2.61 -4.23 -1.26 -1.80 115.64 114.66 1r2u s THR 71 Ca 0.00 -1.10 -0.11 0.00 -1.18 0.00 0.00 61.69 59.30 1r2u s THR 71 Cb 0.00 -2.94 -0.04 0.00 1.34 0.00 0.00 72.50 70.86 1r2u s THR 71 CO 0.00 0.04 0.19 -0.69 -0.54 0.00 0.00 174.62 173.63 1r2u s VAL 72 N -1.45 5.23 0.85 2.29 1.01 0.70 -4.79 120.40 124.23 1r2u s VAL 72 Ca 0.27 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.19 1r2u s VAL 72 Cb -0.11 -3.54 0.16 0.00 0.00 0.00 0.00 36.38 32.88 1r2u s VAL 72 CO 0.19 0.19 1.17 -1.81 0.00 0.00 0.00 175.10 174.83 1r2u s ASP 73 N 1.74 3.77 0.34 3.32 1.11 -1.26 -2.42 116.67 123.27 1r2u s ASP 73 Ca 0.07 0.09 0.06 0.00 0.18 0.00 0.00 52.55 52.95 1r2u s ASP 73 Cb -0.16 -0.33 0.63 0.00 1.07 0.00 0.00 42.92 44.13 1r2u s ASP 73 CO 0.10 -2.28 1.85 0.15 1.18 0.00 0.00 175.17 176.18 1r2u h PHE 74 N -1.13 0.41 -0.53 4.23 3.57 -1.97 0.32 116.94 121.84 1r2u h PHE 74 Ca -0.42 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 60.94 1r2u h PHE 74 Cb 1.26 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 1r2u h PHE 74 CO -0.61 0.50 -0.02 -0.44 -2.23 0.00 0.00 178.31 175.51 1r2u h ASP 75 N 0.37 0.94 1.50 0.41 5.19 -1.99 0.10 116.42 122.93 1r2u h ASP 75 Ca 0.07 -0.32 -0.04 0.00 -0.62 0.00 0.00 57.03 56.12 1r2u h ASP 75 Cb 0.43 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 1r2u h ASP 75 CO 0.02 1.03 -0.20 -0.33 -3.12 0.00 0.00 179.24 176.65 1r2u h GLU 76 N 0.83 0.00 0.06 3.56 5.08 -1.72 -2.57 114.58 119.81 1r2u h GLU 76 Ca 0.15 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.26 1r2u h GLU 76 Cb 0.56 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.82 1r2u h GLU 76 CO 0.03 0.20 -1.08 0.35 -1.00 0.00 0.00 179.01 177.51 1r2u h PHE 77 N 0.00 0.64 0.15 4.33 3.57 0.09 -3.24 116.94 122.48 1r2u h PHE 77 Ca -0.00 -0.39 -0.30 0.00 3.53 0.00 0.00 57.97 60.80 1r2u h PHE 77 Cb 1.00 -0.06 0.03 0.00 2.79 0.00 0.00 35.95 39.72 1r2u h PHE 77 CO 0.00 1.24 -1.29 -0.07 -2.23 0.00 0.00 178.31 175.96 1r2u h LEU 78 N 0.19 0.81 -2.01 0.59 3.38 -0.98 -3.26 115.31 114.04 1r2u h LEU 78 Ca -0.11 -0.78 0.06 0.00 0.09 0.00 0.00 57.88 57.13 1r2u h LEU 78 Cb 1.75 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 1r2u h LEU 78 CO 0.19 1.59 0.14 -0.37 0.09 0.00 0.00 178.44 180.08 1r2u h VAL 79 N 0.22 0.90 -1.25 1.22 -1.51 -1.57 -2.55 116.25 111.71 1r2u h VAL 79 Ca -0.20 0.00 0.45 0.00 -1.23 0.00 0.00 66.70 65.73 1r2u h VAL 79 Cb 1.97 0.90 -0.15 0.00 -2.13 0.00 0.00 31.29 31.88 1r2u h VAL 79 CO 0.24 0.00 0.77 0.24 -1.23 0.00 0.00 177.57 177.59 1r2u h MET 80 N 0.00 0.02 0.48 5.19 2.86 -1.60 0.56 114.93 122.44 1r2u h MET 80 Ca 0.09 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1r2u h MET 80 Cb 0.37 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1r2u h MET 80 CO -0.00 0.01 -0.23 0.52 1.06 0.00 0.00 176.91 178.27 1r2u h MET 81 N 0.02 -0.62 0.00 1.72 2.86 -1.69 -3.23 114.93 113.98 1r2u h MET 81 Ca 0.86 0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 58.51 1r2u h MET 81 Cb 2.60 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 34.40 1r2u h MET 81 CO -0.56 -0.42 -0.19 -0.39 1.06 0.00 0.00 176.91 176.41 1r2u h VAL 82 N -0.78 0.87 0.00 -2.22 -1.51 -1.34 -2.50 116.25 108.76 1r2u h VAL 82 Ca -0.07 -0.71 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 1r2u h VAL 82 Cb 0.50 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 1r2u h VAL 82 CO 0.11 0.18 0.08 0.03 -1.23 0.00 0.00 177.57 176.75 1r2u h ARG 83 N 0.00 0.00 0.00 5.19 2.47 0.04 0.93 114.38 123.00 1r2u h ARG 83 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 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 0.02 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.55 1r2u h MET 85 N 0.00 0.22 -7.00 0.00 -0.00 -1.02 -3.41 114.93 103.73 1r2u h MET 85 Ca 0.00 -0.01 -0.52 0.00 -0.00 0.00 0.00 59.70 59.17 1r2u h MET 85 Cb 0.40 -0.05 0.08 0.00 -0.00 0.00 0.00 31.60 32.03 1r2u h MET 85 CO 0.00 0.15 0.52 -1.59 -0.00 0.00 0.00 176.91 175.99 1r2u s LYS 86 N -5.29 3.70 -0.30 -0.10 0.00 -1.22 -5.03 119.74 111.50 1r2u s LYS 86 Ca -0.07 1.90 0.03 0.00 0.00 0.00 0.00 55.97 57.82 1r2u s LYS 86 Cb 0.25 -2.44 0.17 0.00 0.00 0.00 0.00 37.83 35.82 1r2u s LYS 86 CO 0.80 -0.64 0.46 0.16 0.00 0.00 0.00 175.35 176.14 1r2u s ASP 87 N -1.21 -0.14 -0.96 0.03 -4.77 -1.26 -5.09 116.67 103.27 1r2u s ASP 87 Ca 0.64 -0.31 -0.14 0.00 -3.30 0.00 0.00 52.55 49.43 1r2u s ASP 87 Cb -0.32 1.34 0.20 0.00 -1.09 0.00 0.00 42.92 43.05 1r2u s ASP 87 CO 0.39 -0.33 1.02 -0.62 0.70 0.00 0.00 175.17 176.33 1r2u s ASP 88 N 2.55 6.87 0.00 2.11 2.15 -1.26 -5.30 116.67 123.78 1r2u s ASP 88 Ca 0.10 -2.71 0.00 0.00 0.43 0.00 0.00 52.55 50.37 1r2u s ASP 88 Cb -0.12 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1r2u s ASP 88 CO -0.27 -0.68 0.49 -1.54 -0.17 0.00 0.00 175.17 172.99