#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwd s SER 3 N 0.00 -0.41 0.15 6.12 1.04 -1.26 -5.19 113.70 114.16 1uwd s SER 3 Ca 0.00 -0.09 -0.03 0.00 0.48 0.00 0.00 55.95 56.31 1uwd s SER 3 Cb 0.00 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 1uwd s SER 3 CO 0.00 -0.87 0.12 -0.54 0.98 0.00 0.00 173.24 172.93 1uwd s LYS 4 N -3.49 1.02 0.08 4.02 1.02 -1.26 -4.83 119.74 116.30 1uwd s LYS 4 Ca 0.00 -1.41 0.00 0.00 0.02 0.00 0.00 55.97 54.58 1uwd s LYS 4 Cb 0.00 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.59 1uwd s LYS 4 CO -0.10 -0.32 0.00 1.17 -0.92 0.00 0.00 175.35 175.18 1uwd n LYS 5 N -0.15 -2.74 -2.97 1.68 4.81 -1.26 -5.00 118.16 112.53 1uwd n LYS 5 Ca -0.05 1.94 -0.38 0.00 -0.87 0.00 0.00 58.31 58.96 1uwd n LYS 5 Cb 0.64 -2.43 -0.06 0.00 0.02 0.00 0.00 35.03 33.20 1uwd n LYS 5 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1uwd s VAL 6 N -0.27 4.39 0.34 3.15 1.01 -1.26 -5.07 120.40 122.70 1uwd s VAL 6 Ca 0.00 1.62 0.06 0.00 0.00 0.00 0.00 61.98 63.66 1uwd s VAL 6 Cb 0.00 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.27 1uwd s VAL 6 CO 0.00 0.36 -0.00 0.42 0.00 0.00 0.00 175.10 175.87 1uwd s THR 7 N -1.35 1.68 0.40 3.92 -4.23 -1.26 -4.88 115.64 109.91 1uwd s THR 7 Ca 0.41 -2.05 0.12 0.00 -1.18 0.00 0.00 61.69 58.98 1uwd s THR 7 Cb -0.20 -2.76 0.15 0.00 1.34 0.00 0.00 72.50 71.02 1uwd s THR 7 CO 0.24 -0.09 1.91 0.07 -0.54 0.00 0.00 174.62 176.21 1uwd h LYS 8 N 2.03 0.11 -0.51 3.99 2.10 -1.96 -1.13 116.57 121.20 1uwd h LYS 8 Ca -0.42 -0.03 0.08 0.00 -2.00 0.00 0.00 60.65 58.29 1uwd h LYS 8 Cb 1.24 -0.01 -0.07 0.00 -0.90 0.00 0.00 32.23 32.49 1uwd h LYS 8 CO 0.73 0.32 0.13 0.93 -2.00 0.00 0.00 179.45 179.56 1uwd h GLU 9 N 0.10 0.27 -0.21 0.07 3.07 -1.96 -0.82 114.58 115.11 1uwd h GLU 9 Ca 0.02 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 1uwd h GLU 9 Cb 0.44 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1uwd h GLU 9 CO 0.03 0.18 -0.27 -0.44 -1.40 0.00 0.00 179.01 177.11 1uwd h ASP 10 N 0.28 0.60 -0.60 1.42 3.45 -1.63 -1.63 116.42 118.31 1uwd h ASP 10 Ca 0.26 -0.50 -0.01 0.00 0.43 0.00 0.00 57.03 57.20 1uwd h ASP 10 Cb 0.33 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 38.90 1uwd h ASP 10 CO -0.31 0.98 0.35 0.58 -1.57 0.00 0.00 179.24 179.27 1uwd h VAL 11 N 0.23 1.18 -0.06 -1.35 2.07 -1.20 0.20 116.25 117.32 1uwd h VAL 11 Ca 0.03 -0.44 -0.14 0.00 0.82 0.00 0.00 66.70 66.97 1uwd h VAL 11 Cb 0.84 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1uwd h VAL 11 CO 0.06 0.20 -0.58 -0.07 0.02 0.00 0.00 177.57 177.20 1uwd h LEU 12 N 0.85 0.22 -0.12 2.57 3.38 -0.82 -1.58 115.31 119.80 1uwd h LEU 12 Ca 0.22 -0.12 -0.24 0.00 0.09 0.00 0.00 57.88 57.83 1uwd h LEU 12 Cb 0.00 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.70 1uwd h LEU 12 CO -0.04 0.76 -0.93 0.78 0.09 0.00 0.00 178.44 179.10 1uwd h ASN 13 N 0.15 0.78 -0.52 -0.43 2.35 -0.79 -3.30 115.58 113.82 1uwd h ASN 13 Ca -0.00 -0.58 -0.05 0.00 -0.55 0.00 0.00 56.30 55.11 1uwd h ASN 13 Cb 1.07 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.18 1uwd h ASN 13 CO 0.09 1.38 0.12 0.00 -1.65 0.00 0.00 177.43 177.37 1uwd h ALA 14 N 0.58 0.68 0.00 -0.83 0.00 -0.32 -2.76 119.26 116.62 1uwd h ALA 14 Ca -0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1uwd h ALA 14 Cb 1.56 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1uwd h ALA 14 CO 0.18 0.38 -0.01 -0.07 0.00 0.00 0.00 179.25 179.73 1uwd h LEU 15 N 0.72 0.00 -0.08 0.00 3.38 -1.42 -3.03 115.31 114.88 1uwd h LEU 15 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1uwd h LEU 15 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1uwd h LEU 15 CO 0.00 0.01 0.00 0.29 0.09 0.00 0.00 178.44 178.83 1uwd n LYS 16 N -3.11 0.24 -0.05 1.13 5.02 -1.04 -2.05 118.16 118.31 1uwd n LYS 16 Ca 0.01 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.25 1uwd n LYS 16 Cb 0.34 -1.01 -0.07 0.00 -0.02 0.00 0.00 35.03 34.27 1uwd n LYS 16 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1uwd n ASN 17 N -0.43 2.76 -4.56 4.39 3.02 -1.14 -4.93 115.26 114.38 1uwd n ASN 17 Ca 0.00 -0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 54.13 1uwd n ASN 17 Cb 0.01 0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 39.73 1uwd n ASN 17 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1uwd s VAL 18 N -2.23 3.69 -0.17 2.41 1.01 -0.87 -4.97 120.40 119.27 1uwd s VAL 18 Ca -0.06 0.45 -0.09 0.00 0.00 0.00 0.00 61.98 62.28 1uwd s VAL 18 Cb 0.03 -4.67 -0.05 0.00 0.00 0.00 0.00 36.38 31.69 1uwd s VAL 18 CO 0.36 -1.56 0.13 -0.63 0.00 0.00 0.00 175.10 173.40 1uwd s ILE 19 N 6.30 5.40 -0.04 2.22 1.01 -1.26 -2.93 121.20 131.90 1uwd s ILE 19 Ca 0.44 0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.97 1uwd s ILE 19 Cb -0.09 -3.42 -0.06 0.00 0.01 0.00 0.00 42.46 38.89 1uwd s ILE 19 CO 0.18 0.51 1.68 -0.62 0.00 0.00 0.00 174.94 176.69 1uwd s ASP 20 N -0.14 6.65 0.57 3.58 3.68 -0.83 -4.92 116.67 125.26 1uwd s ASP 20 Ca 0.10 2.29 0.31 0.00 2.13 0.00 0.00 52.55 57.38 1uwd s ASP 20 Cb -0.11 -2.53 1.73 0.00 -1.45 0.00 0.00 42.92 40.55 1uwd s ASP 20 CO 0.00 -0.94 2.19 0.15 0.13 0.00 0.00 175.17 176.70 1uwd h PHE 21 N 9.59 0.00 0.00 -5.34 3.57 -1.98 0.72 116.94 123.51 1uwd h PHE 21 Ca -0.40 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.08 1uwd h PHE 21 Cb 1.18 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 1uwd h PHE 21 CO 0.89 0.05 -0.29 1.49 -2.23 0.00 0.00 178.31 178.22 1uwd h GLU 22 N 0.00 0.00 -0.57 1.11 4.22 -1.97 -3.41 114.58 113.96 1uwd h GLU 22 Ca -0.00 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.36 1uwd h GLU 22 Cb 0.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1uwd h GLU 22 CO 0.01 0.11 0.04 1.25 -2.18 0.00 0.00 179.01 178.24 1uwd h LEU 23 N -1.00 0.91 0.00 1.64 6.46 -1.91 -3.46 115.31 117.95 1uwd h LEU 23 Ca -0.02 -0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 1uwd h LEU 23 Cb 0.35 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.03 1uwd h LEU 23 CO -0.01 0.95 0.00 0.61 -0.62 0.00 0.00 178.44 179.36 1uwd n GLY 24 N -0.59 0.41 3.28 3.75 0.00 0.22 -5.03 105.19 107.24 1uwd n GLY 24 Ca 0.03 -1.03 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 1uwd n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uwd s LEU 25 N 0.00 1.77 0.30 0.99 1.98 -1.26 -4.95 118.68 117.51 1uwd s LEU 25 Ca 0.00 -1.31 0.04 0.00 -2.89 0.00 0.00 54.13 49.96 1uwd s LEU 25 Cb 0.00 0.02 -0.03 0.00 0.66 0.00 0.00 46.19 46.84 1uwd s LEU 25 CO 0.00 -0.68 0.45 1.51 -1.89 0.00 0.00 176.35 175.74 1uwd s ASP 26 N -3.26 6.22 0.33 3.68 1.47 -1.26 -1.96 116.67 121.88 1uwd s ASP 26 Ca 0.33 0.14 0.06 0.00 1.18 0.00 0.00 52.55 54.26 1uwd s ASP 26 Cb 0.07 -1.78 0.57 0.00 -0.34 0.00 0.00 42.92 41.44 1uwd s ASP 26 CO 0.10 -0.24 1.80 -0.37 0.68 0.00 0.00 175.17 177.15 1uwd h VAL 27 N 0.95 1.24 -0.37 2.11 -1.51 -1.73 -0.01 116.25 116.92 1uwd h VAL 27 Ca -0.50 -1.08 -0.11 0.00 -1.23 0.00 0.00 66.70 63.77 1uwd h VAL 27 Cb 1.23 1.30 -0.01 0.00 -2.13 0.00 0.00 31.29 31.68 1uwd h VAL 27 CO 0.59 0.34 -0.21 0.58 -1.23 0.00 0.00 177.57 177.64 1uwd h VAL 28 N 0.33 1.28 -0.25 7.19 2.07 -1.84 -1.94 116.25 123.09 1uwd h VAL 28 Ca 0.06 -1.35 -0.06 0.00 0.82 0.00 0.00 66.70 66.17 1uwd h VAL 28 Cb 0.55 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1uwd h VAL 28 CO 0.04 0.45 -0.09 0.28 0.02 0.00 0.00 177.57 178.26 1uwd h SER 29 N 0.58 0.38 0.35 0.57 0.02 -1.80 -0.85 113.55 112.80 1uwd h SER 29 Ca 0.08 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1uwd h SER 29 Cb 0.77 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1uwd h SER 29 CO 0.06 0.51 0.00 0.18 -1.14 0.00 0.00 176.83 176.44 1uwd n LEU 30 N -4.25 0.00 -2.41 5.07 4.77 -0.07 -3.88 117.00 116.24 1uwd n LEU 30 Ca 0.00 0.48 -0.19 0.00 -0.03 0.00 0.00 56.01 56.28 1uwd n LEU 30 Cb 0.28 -0.48 0.02 0.00 -2.33 0.00 0.00 43.42 40.90 1uwd n LEU 30 CO 0.39 -0.31 -0.08 0.61 -1.33 0.00 0.00 177.39 176.67 1uwd n GLY 31 N -0.41 -0.35 2.85 -0.72 0.00 -0.32 -4.17 105.19 102.06 1uwd n GLY 31 Ca 0.03 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 1uwd n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uwd n LEU 32 N -3.16 0.00 -1.35 0.99 4.77 -0.75 -4.94 117.00 112.55 1uwd n LEU 32 Ca -0.14 -1.05 0.04 0.00 -0.03 0.00 0.00 56.01 54.82 1uwd n LEU 32 Cb 0.62 -0.76 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1uwd n LEU 32 CO 0.35 -1.34 -0.46 0.52 -1.33 0.00 0.00 177.39 175.13 1uwd n VAL 33 N -3.55 -2.14 0.04 4.08 0.31 -1.26 -4.71 118.33 111.09 1uwd n VAL 33 Ca 0.12 1.17 0.00 0.00 -0.01 0.00 0.00 64.34 65.63 1uwd n VAL 33 Cb 0.44 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 1uwd n VAL 33 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1uwd n TYR 34 N -2.87 -0.52 -4.13 3.52 4.01 0.39 -4.95 117.16 112.62 1uwd n TYR 34 Ca -0.02 0.09 -0.15 0.00 -0.16 0.00 0.00 57.90 57.66 1uwd n TYR 34 Cb 0.47 0.22 -0.13 0.00 -0.31 0.00 0.00 39.34 39.59 1uwd n TYR 34 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1uwd s ASP 35 N -5.29 0.70 -0.36 7.72 -1.08 -1.20 -4.99 116.67 112.18 1uwd s ASP 35 Ca 0.00 -0.25 0.02 0.00 -0.52 0.00 0.00 52.55 51.80 1uwd s ASP 35 Cb 0.00 -0.03 0.15 0.00 -1.46 0.00 0.00 42.92 41.57 1uwd s ASP 35 CO 0.00 -0.03 0.31 -0.63 0.52 0.00 0.00 175.17 175.35 1uwd s ILE 36 N -0.55 -0.18 -0.28 4.11 1.01 -1.26 -1.30 121.20 122.76 1uwd s ILE 36 Ca -0.02 -1.19 -0.01 0.00 0.00 0.00 0.00 60.65 59.43 1uwd s ILE 36 Cb -0.05 -0.84 0.05 0.00 0.01 0.00 0.00 42.46 41.63 1uwd s ILE 36 CO 0.00 -0.71 -0.04 -1.10 0.00 0.00 0.00 174.94 173.08 1uwd s GLN 37 N 1.38 2.50 -0.24 2.79 -0.21 -0.62 -4.69 119.66 120.57 1uwd s GLN 37 Ca 0.17 -1.20 0.00 0.00 0.02 0.00 0.00 55.36 54.35 1uwd s GLN 37 Cb -0.18 -3.06 0.03 0.00 1.00 0.00 0.00 33.01 30.80 1uwd s GLN 37 CO -0.04 -0.55 -0.11 0.42 -2.12 0.00 0.00 175.29 172.89 1uwd s ILE 38 N 1.24 2.49 1.14 1.08 1.01 -1.26 -2.72 121.20 124.19 1uwd s ILE 38 Ca -0.05 -1.17 -0.17 0.00 0.00 0.00 0.00 60.65 59.27 1uwd s ILE 38 Cb -0.19 -2.27 0.26 0.00 0.01 0.00 0.00 42.46 40.27 1uwd s ILE 38 CO -0.03 0.22 1.12 -0.62 0.00 0.00 0.00 174.94 175.63 1uwd s ASP 39 N 1.26 1.46 0.00 3.58 -1.08 -1.04 -4.82 116.67 116.02 1uwd s ASP 39 Ca -0.01 0.75 0.25 0.00 -0.52 0.00 0.00 52.55 53.02 1uwd s ASP 39 Cb -0.17 -1.09 1.22 0.00 -1.46 0.00 0.00 42.92 41.42 1uwd s ASP 39 CO -0.07 -3.80 1.82 -0.67 0.52 0.00 0.00 175.17 172.98 1uwd n ASP 40 N -4.56 0.00 -1.13 -0.34 2.03 -1.26 -1.32 116.55 109.97 1uwd n ASP 40 Ca 0.11 0.01 -0.03 0.00 0.52 0.00 0.00 54.79 55.40 1uwd n ASP 40 Cb 0.59 -0.32 0.20 0.00 -0.72 0.00 0.00 41.12 40.88 1uwd n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1uwd n GLN 41 N -1.32 1.87 -2.57 -0.67 1.13 -1.26 -4.98 117.38 109.58 1uwd n GLN 41 Ca 0.11 -3.18 -0.19 0.00 -1.94 0.00 0.00 57.00 51.80 1uwd n GLN 41 Cb 0.21 -1.81 -0.00 0.00 0.11 0.00 0.00 30.24 28.75 1uwd n GLN 41 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1uwd n ASN 42 N -1.10 -5.26 -4.55 1.08 4.13 -0.43 -4.60 115.26 104.52 1uwd n ASN 42 Ca 0.32 -0.03 -0.38 0.00 1.68 0.00 0.00 54.58 56.18 1uwd n ASN 42 Cb 1.02 -4.37 -0.03 0.00 -1.54 0.00 0.00 39.78 34.85 1uwd n ASN 42 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1uwd s ASN 43 N -2.19 5.31 -0.66 6.41 0.02 -1.26 -3.52 114.94 119.04 1uwd s ASN 43 Ca 0.08 0.21 -0.27 0.00 -1.02 0.00 0.00 52.86 51.85 1uwd s ASN 43 Cb -0.04 -2.53 0.03 0.00 0.02 0.00 0.00 41.25 38.73 1uwd s ASN 43 CO 0.09 -2.38 1.23 -0.69 0.02 0.00 0.00 177.10 175.38 1uwd s VAL 44 N 8.97 3.87 -0.27 1.60 1.01 -0.70 -2.50 120.40 132.38 1uwd s VAL 44 Ca 0.66 0.64 -0.05 0.00 0.00 0.00 0.00 61.98 63.22 1uwd s VAL 44 Cb -0.12 -4.82 0.01 0.00 0.00 0.00 0.00 36.38 31.45 1uwd s VAL 44 CO 0.19 -1.60 0.02 -0.75 0.00 0.00 0.00 175.10 172.95 1uwd s LYS 45 N 5.33 3.07 -0.10 2.72 2.20 -1.10 -0.82 119.74 131.04 1uwd s LYS 45 Ca 0.39 -0.85 0.01 0.00 -0.36 0.00 0.00 55.97 55.16 1uwd s LYS 45 Cb -0.08 -3.19 0.02 0.00 -1.51 0.00 0.00 37.83 33.07 1uwd s LYS 45 CO 0.20 -0.38 -0.13 0.08 -0.36 0.00 0.00 175.35 174.76 1uwd s VAL 46 N 1.44 1.30 -0.54 4.02 1.01 -0.22 -1.59 120.40 125.83 1uwd s VAL 46 Ca 0.02 -0.52 -0.27 0.00 0.00 0.00 0.00 61.98 61.22 1uwd s VAL 46 Cb -0.16 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.03 1uwd s VAL 46 CO -0.01 0.40 1.07 -0.76 0.00 0.00 0.00 175.10 175.81 1uwd s LEU 47 N 1.09 3.74 0.37 3.92 1.02 -0.42 -1.09 118.68 127.31 1uwd s LEU 47 Ca -0.06 0.03 0.08 0.00 0.02 0.00 0.00 54.13 54.21 1uwd s LEU 47 Cb -0.14 -3.13 -0.06 0.00 0.02 0.00 0.00 46.19 42.88 1uwd s LEU 47 CO -0.02 -1.32 -0.00 -0.32 0.02 0.00 0.00 176.35 174.71 1uwd s MET 48 N 4.42 1.98 -0.13 1.70 1.75 -1.02 -0.46 119.30 127.54 1uwd s MET 48 Ca 0.39 -1.91 -0.15 0.00 -1.25 0.00 0.00 55.69 52.77 1uwd s MET 48 Cb -0.09 -1.79 0.04 0.00 2.84 0.00 0.00 34.83 35.82 1uwd s MET 48 CO 0.25 0.06 0.41 -0.08 -0.65 0.00 0.00 175.02 175.01 1uwd s THR 49 N -2.60 0.01 0.82 10.11 -1.32 -1.26 -2.42 115.64 118.97 1uwd s THR 49 Ca 0.35 -0.06 -0.12 0.00 -1.21 0.00 0.00 61.69 60.64 1uwd s THR 49 Cb 0.04 -0.60 0.08 0.00 -1.51 0.00 0.00 72.50 70.51 1uwd s THR 49 CO 0.18 -0.04 1.17 -0.32 -2.21 0.00 0.00 174.62 173.41 1uwd s MET 50 N -0.03 1.91 0.13 7.08 1.75 -1.26 -4.63 119.30 124.24 1uwd s MET 50 Ca -0.02 0.14 -0.27 0.00 -1.25 0.00 0.00 55.69 54.29 1uwd s MET 50 Cb -0.03 -1.94 -0.04 0.00 2.84 0.00 0.00 34.83 35.66 1uwd s MET 50 CO 0.01 -1.64 1.61 1.15 -0.65 0.00 0.00 175.02 175.50 1uwd h THR 51 N -1.09 0.26 -3.41 10.11 2.02 -2.00 -3.43 112.91 115.37 1uwd h THR 51 Ca -0.46 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 1uwd h THR 51 Cb 1.33 0.26 -0.08 0.00 -1.74 0.00 0.00 68.15 67.92 1uwd h THR 51 CO 0.66 0.00 0.00 0.42 0.37 0.00 0.00 175.52 176.97 1uwd s THR 52 N -5.98 0.01 0.32 3.16 -4.23 -1.26 -4.71 115.64 102.95 1uwd s THR 52 Ca -0.15 -1.17 0.03 0.00 -1.18 0.00 0.00 61.69 59.22 1uwd s THR 52 Cb 0.10 -2.02 0.14 0.00 1.34 0.00 0.00 72.50 72.06 1uwd s THR 52 CO 0.65 -0.03 1.84 -0.65 -0.54 0.00 0.00 174.62 175.90 1uwd h PRO 53 N 2.18 0.55 0.00 3.99 0.11 -1.98 -3.31 132.00 133.54 1uwd h PRO 53 Ca -0.25 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1uwd h PRO 53 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1uwd h PRO 53 CO 0.33 0.60 0.00 0.00 -0.21 0.00 0.00 178.00 178.71 1uwd n MET 54 N -4.25 0.89 -1.63 1.05 0.00 -1.26 -4.90 117.12 107.01 1uwd n MET 54 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 57.70 57.34 1uwd n MET 54 Cb 0.27 -1.04 0.06 0.00 0.00 0.00 0.00 33.22 32.51 1uwd n MET 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1uwd h PRO 56 N 0.45 0.42 -1.26 0.00 0.13 -1.96 -3.33 132.00 126.45 1uwd h PRO 56 Ca -0.49 -0.71 -0.41 0.00 -0.87 0.00 0.00 66.00 63.52 1uwd h PRO 56 Cb 1.36 0.26 -0.40 0.00 0.13 0.00 0.00 31.00 32.35 1uwd h PRO 56 CO 0.51 1.32 -1.13 1.47 -0.23 0.00 0.00 178.00 179.95 1uwd n LEU 57 N -3.61 1.84 0.12 1.56 -0.00 -1.26 -4.98 117.00 110.67 1uwd n LEU 57 Ca -0.18 -4.16 0.10 0.00 -0.00 0.00 0.00 56.01 51.77 1uwd n LEU 57 Cb 1.08 0.34 0.59 0.00 -0.00 0.00 0.00 43.42 45.42 1uwd n LEU 57 CO 0.56 1.78 1.12 0.00 -0.00 0.00 0.00 177.39 180.85 1uwd h ALA 58 N 2.95 2.04 -0.97 1.47 0.00 -1.95 -1.05 119.26 121.74 1uwd h ALA 58 Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1uwd h ALA 58 Cb 1.10 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1uwd h ALA 58 CO 0.55 -0.08 0.63 0.78 0.00 0.00 0.00 179.25 181.13 1uwd h GLY 59 N 0.15 1.37 0.85 0.00 0.00 -1.93 0.18 103.07 103.70 1uwd h GLY 59 Ca 0.11 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1uwd h GLY 59 CO -0.02 0.51 0.00 -0.33 0.00 0.00 0.00 176.54 176.71 1uwd h MET 60 N 1.32 0.01 -0.91 4.80 2.07 -1.63 -0.06 114.93 120.54 1uwd h MET 60 Ca 0.35 -0.00 0.02 0.00 -2.07 0.00 0.00 59.70 58.00 1uwd h MET 60 Cb -0.14 -0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 29.54 1uwd h MET 60 CO -0.07 0.16 0.60 0.82 1.07 0.00 0.00 176.91 179.48 1uwd h ILE 61 N -0.13 1.20 -0.35 -1.22 2.04 -1.07 0.20 117.51 118.18 1uwd h ILE 61 Ca 0.00 -0.41 -0.09 0.00 1.00 0.00 0.00 64.86 65.36 1uwd h ILE 61 Cb 0.15 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.11 1uwd h ILE 61 CO -0.00 0.22 -0.17 -0.07 0.00 0.00 0.00 178.15 178.13 1uwd h LEU 62 N 1.20 0.64 -0.25 1.44 3.38 -0.56 -0.03 115.31 121.14 1uwd h LEU 62 Ca 0.34 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1uwd h LEU 62 Cb -0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1uwd h LEU 62 CO -0.09 0.82 0.09 -1.28 0.09 0.00 0.00 178.44 178.06 1uwd h SER 63 N 0.58 0.36 -0.28 -0.43 0.87 -0.15 -2.90 113.55 111.60 1uwd h SER 63 Ca 0.09 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 1uwd h SER 63 Cb 0.61 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1uwd h SER 63 CO 0.04 0.46 0.09 -0.78 -0.53 0.00 0.00 176.83 176.11 1uwd h ASP 64 N 0.25 0.41 -0.08 6.23 3.58 -0.14 0.18 116.42 126.85 1uwd h ASP 64 Ca 0.08 -0.21 0.04 0.00 0.42 0.00 0.00 57.03 57.36 1uwd h ASP 64 Cb 0.22 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 1uwd h ASP 64 CO -0.00 0.51 -0.17 0.00 -2.88 0.00 0.00 179.24 176.69 1uwd h ALA 65 N 0.92 -0.14 -0.50 -0.78 0.00 -1.10 -0.40 119.26 117.26 1uwd h ALA 65 Ca 0.09 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1uwd h ALA 65 Cb 0.24 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1uwd h ALA 65 CO -0.00 -0.64 0.33 1.49 0.00 0.00 0.00 179.25 180.43 1uwd h GLU 66 N -0.24 0.61 -0.11 0.00 4.81 -1.27 -1.16 114.58 117.23 1uwd h GLU 66 Ca 0.08 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.14 1uwd h GLU 66 Cb 0.35 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1uwd h GLU 66 CO -0.22 0.41 -0.52 1.49 -0.73 0.00 0.00 179.01 179.44 1uwd h GLU 67 N 0.63 0.31 0.03 1.92 4.81 0.62 0.21 114.58 123.11 1uwd h GLU 67 Ca 0.19 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1uwd h GLU 67 Cb -0.01 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1uwd h GLU 67 CO -0.04 0.76 -0.02 0.00 -0.73 0.00 0.00 179.01 178.98 1uwd h ALA 68 N 1.21 -0.04 -0.89 2.92 0.00 -0.81 -3.12 119.26 118.53 1uwd h ALA 68 Ca 0.01 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1uwd h ALA 68 Cb 0.99 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1uwd h ALA 68 CO 0.08 -0.31 0.57 0.82 0.00 0.00 0.00 179.25 180.42 1uwd h ILE 69 N -0.48 1.13 0.00 0.00 2.04 -0.91 -2.07 117.51 117.22 1uwd h ILE 69 Ca -0.00 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1uwd h ILE 69 Cb 0.44 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1uwd h ILE 69 CO 0.01 0.20 0.00 2.29 0.00 0.00 0.00 178.15 180.65 1uwd n LYS 70 N -4.54 0.19 0.00 2.37 2.85 0.70 -3.40 118.16 116.34 1uwd n LYS 70 Ca 0.11 0.02 0.14 0.00 -1.05 0.00 0.00 58.31 57.53 1uwd n LYS 70 Cb 0.10 -1.50 0.50 0.00 -0.65 0.00 0.00 35.03 33.48 1uwd n LYS 70 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1uwd n LYS 71 N -1.40 0.96 -0.79 -1.58 2.85 -0.78 -4.43 118.16 113.00 1uwd n LYS 71 Ca 0.10 -0.49 -0.07 0.00 -1.05 0.00 0.00 58.31 56.79 1uwd n LYS 71 Cb 0.28 -1.49 -0.08 0.00 -0.65 0.00 0.00 35.03 33.08 1uwd n LYS 71 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1uwd n ILE 72 N -0.59 2.56 -2.39 0.58 5.41 -1.22 -4.86 119.36 118.86 1uwd n ILE 72 Ca 0.15 -1.11 -0.08 0.00 1.00 0.00 0.00 62.75 62.71 1uwd n ILE 72 Cb 0.32 -1.75 -0.02 0.00 -0.71 0.00 0.00 39.64 37.49 1uwd n ILE 72 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1uwd n GLU 73 N 1.94 -0.96 0.00 0.38 0.28 -1.26 -1.88 120.64 119.14 1uwd n GLU 73 Ca 0.24 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.26 1uwd n GLU 73 Cb 0.71 -0.87 0.00 0.00 1.43 0.00 0.00 31.44 32.71 1uwd n GLU 73 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1uwd n GLY 74 N -0.87 0.57 3.01 -1.84 0.00 -1.26 -4.80 105.19 100.00 1uwd n GLY 74 Ca -0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 1uwd n GLY 74 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1uwd n VAL 75 N 0.00 0.00 -0.33 1.61 3.14 -0.79 -4.69 118.33 117.27 1uwd n VAL 75 Ca 0.00 -0.07 -0.09 0.00 -2.96 0.00 0.00 64.34 61.23 1uwd n VAL 75 Cb 0.00 -1.08 -0.08 0.00 -1.06 0.00 0.00 33.84 31.62 1uwd n VAL 75 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1uwd n ASN 76 N 5.19 -0.84 -4.25 6.55 5.15 -1.23 -4.72 115.26 121.11 1uwd n ASN 76 Ca 0.11 1.56 -0.14 0.00 -0.60 0.00 0.00 54.58 55.51 1uwd n ASN 76 Cb 0.13 -0.25 -0.10 0.00 -0.53 0.00 0.00 39.78 39.03 1uwd n ASN 76 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1uwd s ASN 77 N -5.09 1.62 -0.13 1.20 4.22 -1.26 -5.06 114.94 110.44 1uwd s ASN 77 Ca -0.10 -1.07 -0.00 0.00 -2.14 0.00 0.00 52.86 49.56 1uwd s ASN 77 Cb 0.09 0.03 0.03 0.00 1.28 0.00 0.00 41.25 42.67 1uwd s ASN 77 CO 0.49 -0.41 -0.10 -0.69 -2.04 0.00 0.00 177.10 174.35 1uwd s VAL 78 N -3.43 1.22 -0.50 3.54 1.01 -1.26 -1.72 120.40 119.26 1uwd s VAL 78 Ca 0.19 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.81 1uwd s VAL 78 Cb 0.04 -1.22 0.31 0.00 0.00 0.00 0.00 36.38 35.51 1uwd s VAL 78 CO 0.01 0.38 0.78 -0.62 0.00 0.00 0.00 175.10 175.65 1uwd n GLU 79 N 4.88 2.07 -2.86 2.72 -0.58 -0.00 -4.98 120.64 121.89 1uwd n GLU 79 Ca -0.14 -4.16 -0.43 0.00 -0.42 0.00 0.00 57.16 52.02 1uwd n GLU 79 Cb 0.50 -1.93 -0.04 0.00 -0.57 0.00 0.00 31.44 29.39 1uwd n GLU 79 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1uwd s VAL 80 N -2.99 4.45 0.40 2.62 -7.23 -1.26 -1.05 120.40 115.34 1uwd s VAL 80 Ca 0.42 0.35 -0.22 0.00 -1.81 0.00 0.00 61.98 60.72 1uwd s VAL 80 Cb 0.26 -4.49 -0.11 0.00 0.56 0.00 0.00 36.38 32.61 1uwd s VAL 80 CO -0.09 -1.01 0.96 -0.70 -0.31 0.00 0.00 175.10 173.95 1uwd s GLU 81 N 3.78 4.30 -0.57 4.82 2.56 -0.25 -4.96 118.70 128.39 1uwd s GLU 81 Ca 0.31 1.20 0.04 0.00 0.00 0.00 0.00 54.97 56.52 1uwd s GLU 81 Cb -0.12 -2.35 0.16 0.00 2.00 0.00 0.00 34.13 33.82 1uwd s GLU 81 CO 0.21 0.03 0.38 -1.17 -0.56 0.00 0.00 175.26 174.15 1uwd s LEU 82 N -2.88 3.71 -0.43 2.70 2.96 -1.26 -2.43 118.68 121.05 1uwd s LEU 82 Ca 0.59 -3.36 -0.29 0.00 -0.22 0.00 0.00 54.13 50.85 1uwd s LEU 82 Cb -0.12 -1.30 0.02 0.00 0.50 0.00 0.00 46.19 45.29 1uwd s LEU 82 CO 0.17 -0.16 1.18 -0.89 -1.32 0.00 0.00 176.35 175.33 1uwd s THR 83 N -0.67 4.21 -0.71 3.68 2.01 -1.01 -4.89 115.64 118.25 1uwd s THR 83 Ca 0.24 1.27 0.22 0.00 0.31 0.00 0.00 61.69 63.73 1uwd s THR 83 Cb -0.10 -4.48 -0.24 0.00 0.01 0.00 0.00 72.50 67.69 1uwd s THR 83 CO -0.12 -0.85 0.81 0.49 -0.69 0.00 0.00 174.62 174.27 1uwd n PHE 84 N 7.81 0.02 0.15 4.92 3.72 -1.26 -4.46 117.46 128.36 1uwd n PHE 84 Ca 0.13 0.01 -0.14 0.00 -0.05 0.00 0.00 57.45 57.40 1uwd n PHE 84 Cb 0.48 -0.17 -0.07 0.00 -0.94 0.00 0.00 39.48 38.77 1uwd n PHE 84 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1uwd h ASP 85 N 0.00 -0.29 -4.03 4.37 3.32 -2.00 -3.44 116.42 114.35 1uwd h ASP 85 Ca 0.00 0.01 -0.48 0.00 0.02 0.00 0.00 57.03 56.59 1uwd h ASP 85 Cb 0.65 0.08 0.03 0.00 0.22 0.00 0.00 39.33 40.31 1uwd h ASP 85 CO 0.00 -0.20 0.40 -2.16 -1.72 0.00 0.00 179.24 175.57 1uwd s PRO 86 N -6.14 3.92 0.46 3.56 0.04 -1.26 -5.01 135.00 130.56 1uwd s PRO 86 Ca -0.15 1.46 -0.23 0.00 0.04 0.00 0.00 61.00 62.12 1uwd s PRO 86 Cb 0.05 -2.28 -0.07 0.00 0.04 0.00 0.00 34.50 32.24 1uwd s PRO 86 CO 0.65 -0.35 1.19 -1.25 0.04 0.00 0.00 177.00 177.28 1uwd s PRO 87 N -2.92 3.72 0.00 0.56 0.04 -1.26 -5.03 135.00 130.11 1uwd s PRO 87 Ca 0.64 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.51 1uwd s PRO 87 Cb -0.20 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1uwd s PRO 87 CO 0.24 -0.60 0.00 1.87 0.04 0.00 0.00 177.00 178.55 1uwd n TRP 88 N -0.49 0.00 0.00 0.56 -0.00 -1.26 -5.12 117.44 111.12 1uwd n TRP 88 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.57 1uwd n TRP 88 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.79 1uwd n TRP 88 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1uwd n THR 89 N 0.00 0.00 0.38 5.87 -1.04 -1.26 -5.02 114.28 113.20 1uwd n THR 89 Ca 0.00 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.09 1uwd n THR 89 Cb 0.00 0.00 0.36 0.00 -1.82 0.00 0.00 70.33 68.87 1uwd n THR 89 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1uwd n PRO 90 N 0.00 0.08 0.17 -2.82 -0.04 -1.26 -1.37 135.00 129.76 1uwd n PRO 90 Ca 0.00 0.37 0.14 0.00 -0.04 0.00 0.00 63.50 63.97 1uwd n PRO 90 Cb 0.00 -1.67 0.53 0.00 -0.04 0.00 0.00 33.50 32.32 1uwd n PRO 90 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1uwd h GLU 91 N 0.00 0.00 -0.21 0.54 5.08 -1.97 -3.36 114.58 114.66 1uwd h GLU 91 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1uwd h GLU 91 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1uwd h GLU 91 CO 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 179.01 177.71 1uwd h ARG 92 N 0.00 0.41 -7.06 2.33 2.47 -1.50 -3.45 114.38 107.57 1uwd h ARG 92 Ca 0.00 -0.17 -0.50 0.00 -1.26 0.00 0.00 59.98 58.05 1uwd h ARG 92 Cb 0.45 -0.02 0.21 0.00 -1.65 0.00 0.00 29.97 28.97 1uwd h ARG 92 CO 0.00 0.68 -0.15 -1.33 0.56 0.00 0.00 179.97 179.73 1uwd n MET 93 N -4.10 -0.99 -1.50 0.04 2.81 -1.26 -4.55 117.12 107.57 1uwd n MET 93 Ca -0.01 -0.24 -0.39 0.00 -1.81 0.00 0.00 57.70 55.25 1uwd n MET 93 Cb 0.43 -2.14 0.03 0.00 -0.71 0.00 0.00 33.22 30.83 1uwd n MET 93 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1uwd n SER 94 N -3.47 -0.50 0.19 7.83 7.64 -1.25 -4.68 113.62 119.38 1uwd n SER 94 Ca 0.08 0.80 0.14 0.00 1.01 0.00 0.00 58.87 60.90 1uwd n SER 94 Cb 0.54 -1.22 0.49 0.00 -1.01 0.00 0.00 64.21 63.01 1uwd n SER 94 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1uwd h PRO 95 N 0.50 0.00 -0.22 1.43 0.13 -1.93 -0.84 132.00 131.07 1uwd h PRO 95 Ca -0.45 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 1uwd h PRO 95 Cb 1.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.51 1uwd h PRO 95 CO 0.49 0.00 -0.11 1.49 -0.23 0.00 0.00 178.00 179.65 1uwd h GLU 96 N 0.00 0.47 0.00 0.86 4.22 -2.01 -3.17 114.58 114.95 1uwd h GLU 96 Ca 0.00 -0.20 -0.07 0.00 0.08 0.00 0.00 59.36 59.17 1uwd h GLU 96 Cb 0.58 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1uwd h GLU 96 CO 0.00 0.74 -0.31 -0.07 -2.18 0.00 0.00 179.01 177.19 1uwd h LEU 97 N 0.18 0.00 0.47 1.64 3.38 -1.51 -1.25 115.31 118.22 1uwd h LEU 97 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1uwd h LEU 97 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1uwd h LEU 97 CO 0.03 0.31 -0.29 0.03 0.09 0.00 0.00 178.44 178.62 1uwd h ARG 98 N 0.00 -0.70 -0.45 1.13 3.08 -1.42 0.18 114.38 116.21 1uwd h ARG 98 Ca -0.00 0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 1uwd h ARG 98 Cb 0.56 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 1uwd h ARG 98 CO 0.04 -0.46 -0.13 0.93 -1.07 0.00 0.00 179.97 179.28 1uwd h GLU 99 N -0.72 0.83 0.47 0.04 5.08 -1.50 -1.48 114.58 117.29 1uwd h GLU 99 Ca -0.05 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1uwd h GLU 99 Cb 0.59 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1uwd h GLU 99 CO 0.05 0.91 -0.46 -0.22 -1.00 0.00 0.00 179.01 178.29 1uwd h LYS 100 N 0.74 -0.89 -0.73 2.33 3.64 -1.12 -2.96 116.57 117.58 1uwd h LYS 100 Ca 0.12 0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1uwd h LYS 100 Cb 0.63 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.61 1uwd h LYS 100 CO 0.04 -0.59 0.48 0.74 -2.27 0.00 0.00 179.45 177.85 1uwd h PHE 101 N -0.92 0.87 -0.45 1.91 -1.00 -0.87 -3.47 116.94 113.00 1uwd h PHE 101 Ca -0.06 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1uwd h PHE 101 Cb 0.80 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 40.07 1uwd h PHE 101 CO -0.23 0.51 0.00 0.41 -1.61 0.00 0.00 178.31 177.39 1uwd n GLY 102 N -1.43 0.57 0.00 -1.45 0.00 -0.64 -5.11 105.19 97.12 1uwd n GLY 102 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1uwd n GLY 102 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70