#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 7.07 0.17 7.83 0.15 -1.26 -5.04 113.70 122.62 1uwd s SER 3 Ca 0.00 1.30 0.05 0.00 0.70 0.00 0.00 55.95 58.00 1uwd s SER 3 Cb 0.00 -2.46 -0.05 0.00 -1.71 0.00 0.00 66.02 61.80 1uwd s SER 3 CO 0.00 -0.24 -0.09 -0.54 1.20 0.00 0.00 173.24 173.56 1uwd s LYS 4 N 1.29 1.17 0.11 5.44 3.01 -1.26 -5.17 119.74 124.33 1uwd s LYS 4 Ca 0.41 -1.52 0.06 0.00 -1.01 0.00 0.00 55.97 53.92 1uwd s LYS 4 Cb -0.18 -0.74 -0.04 0.00 -1.01 0.00 0.00 37.83 35.87 1uwd s LYS 4 CO 0.19 0.07 -0.16 0.15 0.51 0.00 0.00 175.35 176.11 1uwd s LYS 5 N -3.74 1.03 0.16 1.68 1.02 -1.26 -4.97 119.74 113.66 1uwd s LYS 5 Ca 0.20 -1.19 0.11 0.00 0.02 0.00 0.00 55.97 55.11 1uwd s LYS 5 Cb 0.02 -1.03 -0.04 0.00 -0.52 0.00 0.00 37.83 36.26 1uwd s LYS 5 CO 0.03 0.21 -0.25 0.08 -0.92 0.00 0.00 175.35 174.51 1uwd s VAL 6 N -1.77 2.26 0.15 3.17 1.01 -1.26 -5.03 120.40 118.94 1uwd s VAL 6 Ca 0.07 -1.91 -0.01 0.00 0.00 0.00 0.00 61.98 60.13 1uwd s VAL 6 Cb -0.07 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1uwd s VAL 6 CO 0.04 -0.05 0.08 0.42 0.00 0.00 0.00 175.10 175.59 1uwd s THR 7 N -1.45 0.07 0.44 3.92 -4.23 -1.26 -4.90 115.64 108.23 1uwd s THR 7 Ca 0.17 -1.93 0.11 0.00 -1.18 0.00 0.00 61.69 58.86 1uwd s THR 7 Cb -0.09 -2.19 0.29 0.00 1.34 0.00 0.00 72.50 71.85 1uwd s THR 7 CO 0.08 -0.31 2.06 0.07 -0.54 0.00 0.00 174.62 175.98 1uwd h LYS 8 N 2.78 0.37 -0.10 3.99 2.10 -1.96 -1.05 116.57 122.70 1uwd h LYS 8 Ca -0.35 -0.02 -0.18 0.00 -2.00 0.00 0.00 60.65 58.09 1uwd h LYS 8 Cb 1.22 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1uwd h LYS 8 CO 0.57 0.24 -0.71 1.49 -2.00 0.00 0.00 179.45 179.04 1uwd h GLU 9 N 0.38 0.45 -0.08 0.07 4.81 -1.98 -1.45 114.58 116.79 1uwd h GLU 9 Ca 0.16 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 1uwd h GLU 9 Cb 0.15 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 1uwd h GLU 9 CO -0.04 0.99 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.75 1uwd h ASP 10 N 0.31 0.17 -0.08 1.04 3.45 -1.79 -1.81 116.42 117.72 1uwd h ASP 10 Ca -0.03 -0.41 0.00 0.00 0.43 0.00 0.00 57.03 57.02 1uwd h ASP 10 Cb 1.28 -0.05 -0.00 0.00 -0.56 0.00 0.00 39.33 40.00 1uwd h ASP 10 CO 0.12 0.54 0.05 0.58 -1.57 0.00 0.00 179.24 178.97 1uwd h VAL 11 N -0.21 1.01 0.27 -1.35 2.07 -1.12 0.24 116.25 117.17 1uwd h VAL 11 Ca 0.02 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1uwd h VAL 11 Cb 0.48 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1uwd h VAL 11 CO 0.01 0.02 -0.13 -0.07 0.02 0.00 0.00 177.57 177.42 1uwd h LEU 12 N 0.09 -0.31 -1.14 2.57 3.38 -1.14 -2.47 115.31 116.30 1uwd h LEU 12 Ca 0.03 -0.22 0.13 0.00 0.09 0.00 0.00 57.88 57.91 1uwd h LEU 12 Cb 0.01 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 1uwd h LEU 12 CO -0.01 0.15 0.60 0.78 0.09 0.00 0.00 178.44 180.05 1uwd h ASN 13 N -0.87 0.80 -0.30 -0.43 2.35 -0.67 -1.32 115.58 115.14 1uwd h ASN 13 Ca -0.04 0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 55.60 1uwd h ASN 13 Cb 0.51 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 1uwd h ASN 13 CO 0.06 0.42 -0.42 0.00 -1.65 0.00 0.00 177.43 175.84 1uwd h ALA 14 N 1.57 0.45 0.00 -0.83 0.00 -0.59 -3.11 119.26 116.75 1uwd h ALA 14 Ca 0.47 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1uwd h ALA 14 Cb 0.59 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1uwd h ALA 14 CO -0.24 0.57 -0.05 -0.07 0.00 0.00 0.00 179.25 179.47 1uwd h LEU 15 N 0.58 0.00 0.00 0.00 3.38 -0.77 -3.28 115.31 115.21 1uwd h LEU 15 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1uwd h LEU 15 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1uwd h LEU 15 CO 0.10 0.05 0.00 0.29 0.09 0.00 0.00 178.44 178.97 1uwd n LYS 16 N -3.17 0.23 0.00 1.13 5.02 -0.76 -2.28 118.16 118.33 1uwd n LYS 16 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1uwd n LYS 16 Cb 0.34 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 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 -0.57 0.54 -4.58 4.39 3.02 -1.24 -4.93 115.26 111.89 1uwd n ASN 17 Ca 0.01 -0.80 -0.37 0.00 -0.03 0.00 0.00 54.58 53.39 1uwd n ASN 17 Cb 0.00 0.28 -0.11 0.00 -0.61 0.00 0.00 39.78 39.35 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 -0.28 5.05 -0.15 2.41 1.01 -0.97 -5.07 120.40 122.40 1uwd s VAL 18 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 1uwd s VAL 18 Cb 0.00 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1uwd s VAL 18 CO 0.00 0.32 -0.13 -0.63 0.00 0.00 0.00 175.10 174.66 1uwd s ILE 19 N 1.39 3.00 -0.19 2.22 -1.09 -1.26 -3.39 121.20 121.88 1uwd s ILE 19 Ca 0.07 -0.67 -0.28 0.00 -2.23 0.00 0.00 60.65 57.53 1uwd s ILE 19 Cb -0.15 -2.27 -0.05 0.00 -1.58 0.00 0.00 42.46 38.41 1uwd s ILE 19 CO 0.07 0.51 2.08 -1.81 -1.23 0.00 0.00 174.94 174.56 1uwd s ASP 20 N 0.58 5.75 0.66 3.58 1.01 -0.87 -4.85 116.67 122.53 1uwd s ASP 20 Ca -0.08 1.94 0.36 0.00 0.71 0.00 0.00 52.55 55.49 1uwd s ASP 20 Cb -0.16 -2.52 1.99 0.00 1.01 0.00 0.00 42.92 43.24 1uwd s ASP 20 CO 0.03 -1.72 2.15 0.15 0.21 0.00 0.00 175.17 175.99 1uwd h PHE 21 N 13.69 0.00 0.00 4.23 3.57 -1.97 0.13 116.94 136.59 1uwd h PHE 21 Ca -0.41 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1uwd h PHE 21 Cb 1.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1uwd h PHE 21 CO 0.94 0.00 -0.17 1.49 -2.23 0.00 0.00 178.31 178.34 1uwd h GLU 22 N 0.00 0.00 0.32 1.11 4.22 -1.98 -3.43 114.58 114.82 1uwd h GLU 22 Ca 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.44 1uwd h GLU 22 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1uwd h GLU 22 CO -0.00 0.00 -0.15 -0.07 -2.18 0.00 0.00 179.01 176.61 1uwd h LEU 23 N -0.56 -0.36 0.00 1.64 -0.00 -1.87 -3.48 115.31 110.68 1uwd h LEU 23 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 1uwd h LEU 23 Cb 0.17 0.09 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 1uwd h LEU 23 CO 0.00 -0.04 0.00 0.61 -0.00 0.00 0.00 178.44 179.01 1uwd n GLY 24 N -0.50 1.03 3.33 0.83 0.00 0.42 -5.04 105.19 105.26 1uwd n GLY 24 Ca -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 1.67 0.12 0.99 1.98 -1.26 -4.92 118.68 117.26 1uwd s LEU 25 Ca 0.00 -1.57 0.02 0.00 -2.89 0.00 0.00 54.13 49.69 1uwd s LEU 25 Cb 0.00 0.23 -0.04 0.00 0.66 0.00 0.00 46.19 47.04 1uwd s LEU 25 CO 0.00 -0.90 0.23 1.51 -1.89 0.00 0.00 176.35 175.30 1uwd s ASP 26 N -3.37 6.21 0.00 3.68 -4.77 -1.26 -2.05 116.67 115.11 1uwd s ASP 26 Ca 0.36 0.16 0.10 0.00 -3.30 0.00 0.00 52.55 49.87 1uwd s ASP 26 Cb 0.05 -1.85 0.60 0.00 -1.09 0.00 0.00 42.92 40.63 1uwd s ASP 26 CO 0.18 0.10 1.04 1.33 0.70 0.00 0.00 175.17 178.51 1uwd n VAL 27 N -0.21 0.00 -0.05 2.11 0.24 -1.22 -0.63 118.33 118.58 1uwd n VAL 27 Ca -0.07 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.09 1uwd n VAL 27 Cb 0.53 -0.81 -0.14 0.00 -1.47 0.00 0.00 33.84 31.95 1uwd n VAL 27 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1uwd n VAL 28 N -0.98 1.59 0.11 3.34 0.31 -1.26 -3.51 118.33 117.94 1uwd n VAL 28 Ca 0.08 -0.73 -0.03 0.00 -0.01 0.00 0.00 64.34 63.64 1uwd n VAL 28 Cb 0.03 -1.17 0.08 0.00 -0.91 0.00 0.00 33.84 31.88 1uwd n VAL 28 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1uwd h SER 29 N 0.02 0.00 0.38 4.52 0.02 -1.27 -2.48 113.55 114.74 1uwd h SER 29 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1uwd h SER 29 Cb 2.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.59 1uwd h SER 29 CO 0.04 0.72 0.00 0.18 -1.14 0.00 0.00 176.83 176.64 1uwd n LEU 30 N -3.64 0.00 -3.41 5.07 4.77 -0.25 -4.03 117.00 115.52 1uwd n LEU 30 Ca -0.01 0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 56.06 1uwd n LEU 30 Cb 0.72 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1uwd n LEU 30 CO 0.43 -0.01 0.07 0.61 -1.33 0.00 0.00 177.39 177.16 1uwd n GLY 31 N 1.03 -1.27 0.04 -0.72 0.00 -0.94 -4.11 105.19 99.22 1uwd n GLY 31 Ca 0.16 0.53 -0.04 0.00 0.00 0.00 0.00 46.02 46.67 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 -2.22 1.14 -4.69 0.99 4.77 -1.23 -4.91 117.00 110.86 1uwd n LEU 32 Ca -0.15 -0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.39 1uwd n LEU 32 Cb 0.59 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 1uwd n LEU 32 CO 0.58 0.34 1.26 0.54 -1.33 0.00 0.00 177.39 178.78 1uwd s VAL 33 N -2.16 3.29 0.00 4.08 0.11 -1.25 -2.75 120.40 121.71 1uwd s VAL 33 Ca -0.06 0.71 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 1uwd s VAL 33 Cb 0.02 -3.45 0.00 0.00 -1.53 0.00 0.00 36.38 31.42 1uwd s VAL 33 CO 0.24 -0.00 0.00 -1.22 -3.33 0.00 0.00 175.10 170.78 1uwd n TYR 34 N 5.55 0.00 -2.99 1.54 4.01 -1.26 -4.96 117.16 119.06 1uwd n TYR 34 Ca 0.15 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.48 1uwd n TYR 34 Cb 0.42 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.39 1uwd n TYR 34 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1uwd s ASP 35 N -0.05 6.72 -0.17 7.72 1.11 -1.26 -4.88 116.67 125.86 1uwd s ASP 35 Ca 0.00 0.90 0.00 0.00 0.18 0.00 0.00 52.55 53.63 1uwd s ASP 35 Cb 0.00 -2.39 0.00 0.00 1.07 0.00 0.00 42.92 41.60 1uwd s ASP 35 CO 0.00 -0.45 -0.16 -0.63 1.18 0.00 0.00 175.17 175.11 1uwd s ILE 36 N 2.69 2.54 -0.02 0.77 1.01 -1.26 -0.93 121.20 126.00 1uwd s ILE 36 Ca 0.31 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 1uwd s ILE 36 Cb -0.15 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.25 1uwd s ILE 36 CO 0.08 0.51 0.05 0.00 0.00 0.00 0.00 174.94 175.59 1uwd s GLN 37 N 1.00 0.05 -0.05 2.79 -2.07 -0.34 -4.85 119.66 116.18 1uwd s GLN 37 Ca -0.02 0.11 0.01 0.00 -1.82 0.00 0.00 55.36 53.64 1uwd s GLN 37 Cb -0.15 -0.03 0.02 0.00 -1.09 0.00 0.00 33.01 31.77 1uwd s GLN 37 CO -0.03 -0.04 -0.04 0.42 -1.32 0.00 0.00 175.29 174.27 1uwd s ILE 38 N 0.26 0.54 1.00 3.63 1.09 -1.26 -0.47 121.20 125.99 1uwd s ILE 38 Ca -0.02 -0.09 -0.15 0.00 -1.10 0.00 0.00 60.65 59.29 1uwd s ILE 38 Cb -0.03 -0.59 0.19 0.00 -1.06 0.00 0.00 42.46 40.98 1uwd s ILE 38 CO -0.01 0.24 1.19 -1.81 -0.10 0.00 0.00 174.94 174.45 1uwd s ASP 39 N 1.13 2.75 0.00 3.58 1.01 -0.90 -4.88 116.67 119.36 1uwd s ASP 39 Ca -0.08 0.67 0.17 0.00 0.71 0.00 0.00 52.55 54.03 1uwd s ASP 39 Cb -0.14 -1.00 0.85 0.00 1.01 0.00 0.00 42.92 43.64 1uwd s ASP 39 CO -0.01 -2.99 1.51 -0.67 0.21 0.00 0.00 175.17 173.22 1uwd n ASP 40 N -4.01 0.00 -0.02 0.27 2.03 -1.26 -1.41 116.55 112.16 1uwd n ASP 40 Ca 0.11 0.10 0.14 0.00 0.52 0.00 0.00 54.79 55.65 1uwd n ASP 40 Cb 0.59 -0.31 0.65 0.00 -0.72 0.00 0.00 41.12 41.33 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 -1.31 0.27 -1.81 -0.67 3.00 -1.26 -4.92 117.38 110.68 1uwd n GLN 41 Ca 0.08 -0.03 -0.20 0.00 -0.01 0.00 0.00 57.00 56.83 1uwd n GLN 41 Cb 0.14 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 28.82 1uwd n GLN 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1uwd n ASN 42 N -1.34 -5.39 -4.56 1.08 3.02 -0.50 -4.24 115.26 103.34 1uwd n ASN 42 Ca 0.11 0.36 -0.39 0.00 -0.03 0.00 0.00 54.58 54.63 1uwd n ASN 42 Cb 0.29 -4.70 -0.03 0.00 -0.61 0.00 0.00 39.78 34.74 1uwd n ASN 42 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1uwd s ASN 43 N -2.52 5.04 -0.02 6.41 0.01 -1.26 -1.57 114.94 121.02 1uwd s ASN 43 Ca 0.00 0.90 -0.29 0.00 -0.71 0.00 0.00 52.86 52.76 1uwd s ASN 43 Cb 0.00 -2.52 -0.03 0.00 0.41 0.00 0.00 41.25 39.12 1uwd s ASN 43 CO 0.00 -2.45 0.95 -0.69 -1.51 0.00 0.00 177.10 173.39 1uwd s VAL 44 N 9.97 4.88 -0.06 1.60 1.01 -0.37 -2.11 120.40 135.31 1uwd s VAL 44 Ca 0.84 1.98 0.04 0.00 0.00 0.00 0.00 61.98 64.83 1uwd s VAL 44 Cb -0.17 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.93 1uwd s VAL 44 CO 0.26 0.15 -0.17 -0.75 0.00 0.00 0.00 175.10 174.58 1uwd s LYS 45 N 1.12 2.09 -0.04 2.72 2.20 0.39 -0.58 119.74 127.64 1uwd s LYS 45 Ca 0.50 -0.62 -0.00 0.00 -0.36 0.00 0.00 55.97 55.48 1uwd s LYS 45 Cb -0.20 -1.71 0.03 0.00 -1.51 0.00 0.00 37.83 34.44 1uwd s LYS 45 CO 0.25 0.16 0.00 0.08 -0.36 0.00 0.00 175.35 175.48 1uwd s VAL 46 N 0.32 0.24 -0.32 4.02 1.01 -0.41 -1.20 120.40 124.06 1uwd s VAL 46 Ca -0.11 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 1uwd s VAL 46 Cb -0.15 -0.36 0.21 0.00 0.00 0.00 0.00 36.38 36.09 1uwd s VAL 46 CO 0.04 0.19 2.03 -0.11 0.00 0.00 0.00 175.10 177.25 1uwd n LEU 47 N 4.48 6.49 0.00 3.92 7.94 -0.10 -1.08 117.00 138.64 1uwd n LEU 47 Ca -0.19 -3.33 -0.17 0.00 -1.11 0.00 0.00 56.01 51.21 1uwd n LEU 47 Cb 0.50 -1.06 0.12 0.00 0.53 0.00 0.00 43.42 43.51 1uwd n LEU 47 CO 0.18 1.24 0.51 1.15 -1.11 0.00 0.00 177.39 179.36 1uwd n MET 48 N 0.34 -0.78 -1.73 1.96 0.00 -1.23 -4.17 117.12 111.52 1uwd n MET 48 Ca 0.31 -1.19 -0.02 0.00 0.00 0.00 0.00 57.70 56.79 1uwd n MET 48 Cb 0.58 -0.80 0.00 0.00 0.00 0.00 0.00 33.22 33.00 1uwd n MET 48 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1uwd n THR 49 N -3.08 0.00 -4.42 3.17 5.66 -1.11 -2.96 114.28 111.53 1uwd n THR 49 Ca 0.10 -0.26 -0.22 0.00 -3.05 0.00 0.00 64.05 60.62 1uwd n THR 49 Cb 0.34 0.22 -0.10 0.00 -1.55 0.00 0.00 70.33 69.24 1uwd n THR 49 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 1uwd s MET 50 N -2.06 1.54 0.19 1.09 -1.94 -1.26 -4.80 119.30 112.06 1uwd s MET 50 Ca 0.04 -1.71 -0.13 0.00 -1.71 0.00 0.00 55.69 52.18 1uwd s MET 50 Cb -0.01 -1.45 0.12 0.00 2.01 0.00 0.00 34.83 35.50 1uwd s MET 50 CO 0.03 0.23 1.83 0.00 -0.01 0.00 0.00 175.02 177.10 1uwd h THR 51 N 2.36 1.09 -3.36 2.05 1.03 -1.98 -3.46 112.91 110.64 1uwd h THR 51 Ca -0.39 -0.25 -0.11 0.00 -0.01 0.00 0.00 66.41 65.64 1uwd h THR 51 Cb 1.24 0.30 -0.18 0.00 -1.07 0.00 0.00 68.15 68.44 1uwd h THR 51 CO 0.62 0.13 -0.34 0.42 -0.01 0.00 0.00 175.52 176.35 1uwd s THR 52 N -6.14 0.09 -2.13 0.00 -4.23 -1.26 -4.91 115.64 97.06 1uwd s THR 52 Ca -0.13 -0.71 0.31 0.00 -1.18 0.00 0.00 61.69 59.98 1uwd s THR 52 Cb 0.14 -0.78 0.77 0.00 1.34 0.00 0.00 72.50 73.97 1uwd s THR 52 CO 0.75 -0.39 2.06 -0.81 -0.54 0.00 0.00 174.62 175.69 1uwd n PRO 53 N 0.90 1.18 0.00 3.99 -0.04 -1.26 -4.44 135.00 135.33 1uwd n PRO 53 Ca -0.20 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.96 1uwd n PRO 53 Cb 0.58 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1uwd n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uwd n MET 54 N -0.64 0.00 -0.66 0.54 0.00 -1.26 -5.02 117.12 110.08 1uwd n MET 54 Ca 0.22 0.03 0.09 0.00 0.00 0.00 0.00 57.70 58.03 1uwd n MET 54 Cb 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 33.22 33.12 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 -0.63 0.00 0.00 0.00 0.13 -1.99 -3.41 132.00 126.10 1uwd h PRO 56 Ca 0.01 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.95 1uwd h PRO 56 Cb 1.15 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.14 1uwd h PRO 56 CO 0.01 0.04 -0.25 1.47 -0.23 0.00 0.00 178.00 179.04 1uwd n LEU 57 N -2.73 -1.85 -0.32 1.56 -0.00 -1.26 -5.04 117.00 107.36 1uwd n LEU 57 Ca -0.01 -3.12 0.07 0.00 -0.00 0.00 0.00 56.01 52.95 1uwd n LEU 57 Cb 0.59 0.50 0.26 0.00 -0.00 0.00 0.00 43.42 44.77 1uwd n LEU 57 CO 0.40 1.80 1.24 0.00 -0.00 0.00 0.00 177.39 180.83 1uwd h ALA 58 N 2.17 1.57 -0.91 1.47 0.00 -1.81 -0.79 119.26 120.96 1uwd h ALA 58 Ca -0.28 0.00 0.16 0.00 0.00 0.00 0.00 54.91 54.79 1uwd h ALA 58 Cb 1.23 -0.22 -0.10 0.00 0.00 0.00 0.00 17.79 18.69 1uwd h ALA 58 CO -0.03 0.24 0.50 0.78 0.00 0.00 0.00 179.25 180.74 1uwd h GLY 59 N 0.97 1.54 0.64 0.00 0.00 -1.96 0.19 103.07 104.44 1uwd h GLY 59 Ca 0.44 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 1uwd h GLY 59 CO -0.20 -0.05 -0.09 1.98 0.00 0.00 0.00 176.54 178.18 1uwd h MET 60 N 0.67 -0.25 -1.00 4.80 -1.53 -1.60 -1.83 114.93 114.20 1uwd h MET 60 Ca 0.51 0.02 0.13 0.00 -3.44 0.00 0.00 59.70 56.92 1uwd h MET 60 Cb 0.75 0.06 -0.09 0.00 -0.55 0.00 0.00 31.60 31.77 1uwd h MET 60 CO -0.37 0.09 0.63 0.82 0.14 0.00 0.00 176.91 178.21 1uwd h ILE 61 N -0.62 0.89 0.41 1.77 2.04 -0.59 0.19 117.51 121.59 1uwd h ILE 61 Ca -0.03 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1uwd h ILE 61 Cb 0.45 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1uwd h ILE 61 CO 0.04 0.17 -0.19 -0.07 0.00 0.00 0.00 178.15 178.10 1uwd h LEU 62 N 0.94 -0.46 -1.19 1.44 3.38 -0.63 -2.40 115.31 116.38 1uwd h LEU 62 Ca 0.50 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.31 1uwd h LEU 62 Cb 0.56 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1uwd h LEU 62 CO -0.27 -0.13 -0.10 -1.28 0.09 0.00 0.00 178.44 176.74 1uwd h SER 63 N -0.81 0.42 -0.72 -0.43 0.87 -0.61 -2.47 113.55 109.80 1uwd h SER 63 Ca -0.06 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.34 1uwd h SER 63 Cb 0.54 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 1uwd h SER 63 CO 0.09 0.56 0.19 -0.78 -0.53 0.00 0.00 176.83 176.36 1uwd h ASP 64 N 0.41 1.08 0.30 6.23 -0.00 -0.68 0.27 116.42 124.03 1uwd h ASP 64 Ca 0.08 -0.23 -0.01 0.00 -0.00 0.00 0.00 57.03 56.87 1uwd h ASP 64 Cb 0.43 -0.28 0.00 0.00 -0.00 0.00 0.00 39.33 39.48 1uwd h ASP 64 CO 0.02 1.02 -0.14 0.00 -0.00 0.00 0.00 179.24 180.14 1uwd h ALA 65 N 1.10 -0.40 -0.80 -0.78 0.00 -1.02 -1.93 119.26 115.43 1uwd h ALA 65 Ca 0.23 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1uwd h ALA 65 Cb 0.36 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1uwd h ALA 65 CO -0.00 -0.70 0.53 1.49 0.00 0.00 0.00 179.25 180.57 1uwd h GLU 66 N -0.45 1.02 -0.76 0.00 4.81 -1.20 -2.39 114.58 115.61 1uwd h GLU 66 Ca -0.04 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1uwd h GLU 66 Cb 0.34 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1uwd h GLU 66 CO 0.07 0.68 0.50 1.49 -0.73 0.00 0.00 179.01 181.01 1uwd h GLU 67 N 1.05 0.99 -0.46 1.92 4.81 -0.19 0.11 114.58 122.81 1uwd h GLU 67 Ca 0.30 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.35 1uwd h GLU 67 Cb -0.08 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.07 1uwd h GLU 67 CO -0.07 0.65 -0.20 0.00 -0.73 0.00 0.00 179.01 178.67 1uwd h ALA 68 N 1.28 0.64 -0.80 2.92 0.00 -0.94 -2.83 119.26 119.53 1uwd h ALA 68 Ca 0.28 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1uwd h ALA 68 Cb -0.11 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1uwd h ALA 68 CO -0.06 0.61 0.46 0.82 0.00 0.00 0.00 179.25 181.07 1uwd h ILE 69 N 0.78 1.23 0.00 0.00 2.04 -0.93 -2.57 117.51 118.06 1uwd h ILE 69 Ca 0.11 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1uwd h ILE 69 Cb 0.77 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1uwd h ILE 69 CO 0.06 0.25 0.00 0.07 0.00 0.00 0.00 178.15 178.53 1uwd h LYS 70 N 1.10 0.00 0.00 2.37 2.10 -0.63 -3.21 116.57 118.30 1uwd h LYS 70 Ca 0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 1uwd h LYS 70 Cb -0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1uwd h LYS 70 CO -0.05 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.03 1uwd n LYS 71 N -2.32 0.48 0.00 0.07 4.76 -0.97 -3.52 118.16 116.65 1uwd n LYS 71 Ca 0.03 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1uwd n LYS 71 Cb 0.32 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 1uwd n LYS 71 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1uwd n ILE 72 N -1.22 0.00 -4.17 -0.18 5.41 -1.21 -4.85 119.36 113.13 1uwd n ILE 72 Ca 0.14 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.56 1uwd n ILE 72 Cb 0.18 -0.08 -0.04 0.00 -0.71 0.00 0.00 39.64 38.98 1uwd n ILE 72 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1uwd n GLU 73 N -0.50 -2.78 0.09 0.38 2.13 -1.23 -4.52 120.64 114.21 1uwd n GLU 73 Ca 0.00 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.15 1uwd n GLU 73 Cb 0.00 -4.72 0.00 0.00 0.27 0.00 0.00 31.44 27.00 1uwd n GLU 73 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uwd n GLY 74 N -1.70 -1.06 2.87 8.31 0.00 -1.26 -4.88 105.19 107.47 1uwd n GLY 74 Ca -0.09 0.17 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 1uwd n GLY 74 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1uwd n VAL 75 N -2.88 0.00 0.00 1.61 0.31 -1.26 -4.70 118.33 111.42 1uwd n VAL 75 Ca 0.00 -0.24 -0.10 0.00 -0.01 0.00 0.00 64.34 63.98 1uwd n VAL 75 Cb 0.00 -0.29 -0.04 0.00 -0.91 0.00 0.00 33.84 32.60 1uwd n VAL 75 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1uwd h ASN 76 N 6.66 -0.94 -3.61 4.52 -1.24 -1.46 -3.44 115.58 116.07 1uwd h ASN 76 Ca 0.02 0.14 -0.42 0.00 0.71 0.00 0.00 56.30 56.75 1uwd h ASN 76 Cb 0.31 0.40 -0.16 0.00 0.73 0.00 0.00 38.32 39.60 1uwd h ASN 76 CO 0.51 -0.34 -0.74 0.21 -1.29 0.00 0.00 177.43 175.77 1uwd s ASN 77 N -4.93 2.28 -0.39 1.15 2.47 -1.26 -4.97 114.94 109.29 1uwd s ASN 77 Ca -0.15 -0.95 0.03 0.00 0.42 0.00 0.00 52.86 52.21 1uwd s ASN 77 Cb 0.10 -0.10 0.16 0.00 -1.45 0.00 0.00 41.25 39.97 1uwd s ASN 77 CO 0.66 -0.18 0.33 -0.69 -3.72 0.00 0.00 177.10 173.50 1uwd s VAL 78 N -2.74 0.04 -1.31 -5.21 1.01 -1.26 -1.24 120.40 109.70 1uwd s VAL 78 Ca 0.17 -1.90 -0.08 0.00 0.00 0.00 0.00 61.98 60.17 1uwd s VAL 78 Cb -0.02 -1.00 0.14 0.00 0.00 0.00 0.00 36.38 35.50 1uwd s VAL 78 CO 0.05 -0.94 2.09 -0.62 0.00 0.00 0.00 175.10 175.67 1uwd n GLU 79 N 3.51 3.96 -2.55 2.72 -0.58 0.25 -4.91 120.64 123.04 1uwd n GLU 79 Ca 0.20 -3.45 -0.41 0.00 -0.42 0.00 0.00 57.16 53.08 1uwd n GLU 79 Cb 0.44 -2.82 -0.03 0.00 -0.57 0.00 0.00 31.44 28.46 1uwd n GLU 79 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1uwd s VAL 80 N -0.07 3.74 0.46 2.62 1.01 -1.26 -1.29 120.40 125.61 1uwd s VAL 80 Ca 0.46 0.25 -0.20 0.00 0.00 0.00 0.00 61.98 62.49 1uwd s VAL 80 Cb 0.13 -4.93 -0.10 0.00 0.00 0.00 0.00 36.38 31.48 1uwd s VAL 80 CO -0.03 -1.86 0.97 -0.70 0.00 0.00 0.00 175.10 173.48 1uwd s GLU 81 N 5.65 4.10 -0.65 2.72 2.56 -0.24 -4.98 118.70 127.86 1uwd s GLU 81 Ca 0.37 1.11 0.05 0.00 0.00 0.00 0.00 54.97 56.50 1uwd s GLU 81 Cb -0.07 -2.16 0.16 0.00 2.00 0.00 0.00 34.13 34.06 1uwd s GLU 81 CO 0.12 -0.15 0.44 -1.17 -0.56 0.00 0.00 175.26 173.94 1uwd s LEU 82 N -3.43 4.52 -0.64 2.70 2.96 -1.26 -3.49 118.68 120.04 1uwd s LEU 82 Ca 0.62 -3.64 -0.28 0.00 -0.22 0.00 0.00 54.13 50.62 1uwd s LEU 82 Cb -0.10 -1.57 0.03 0.00 0.50 0.00 0.00 46.19 45.05 1uwd s LEU 82 CO 0.18 -0.12 1.26 -0.89 -1.32 0.00 0.00 176.35 175.46 1uwd s THR 83 N -1.13 3.87 -1.47 3.68 2.01 -1.16 -4.87 115.64 116.58 1uwd s THR 83 Ca 0.24 0.68 0.21 0.00 0.31 0.00 0.00 61.69 63.13 1uwd s THR 83 Cb -0.09 -4.76 -0.11 0.00 0.01 0.00 0.00 72.50 67.55 1uwd s THR 83 CO -0.13 -1.52 0.95 0.49 -0.69 0.00 0.00 174.62 173.72 1uwd n PHE 84 N 8.98 0.00 0.22 4.92 3.72 -1.26 -4.58 117.46 129.46 1uwd n PHE 84 Ca 0.07 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.32 1uwd n PHE 84 Cb 0.49 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.95 1uwd n PHE 84 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1uwd h ASP 85 N 1.22 -0.44 -4.11 4.37 1.82 -2.00 -3.47 116.42 113.81 1uwd h ASP 85 Ca 0.00 -0.03 -0.47 0.00 -0.39 0.00 0.00 57.03 56.14 1uwd h ASP 85 Cb 0.60 0.11 0.01 0.00 0.68 0.00 0.00 39.33 40.74 1uwd h ASP 85 CO 0.00 -0.26 0.33 -2.16 -1.61 0.00 0.00 179.24 175.54 1uwd s PRO 86 N -5.82 3.93 -0.99 0.28 0.04 -1.26 -4.94 135.00 126.24 1uwd s PRO 86 Ca -0.16 0.88 -0.22 0.00 0.04 0.00 0.00 61.00 61.55 1uwd s PRO 86 Cb 0.04 -2.18 0.07 0.00 0.04 0.00 0.00 34.50 32.47 1uwd s PRO 86 CO 0.62 -0.23 1.36 -1.25 0.04 0.00 0.00 177.00 177.55 1uwd s PRO 87 N -4.00 3.58 0.00 0.56 0.04 -1.26 -4.93 135.00 128.98 1uwd s PRO 87 Ca 0.58 -1.25 0.00 0.00 0.04 0.00 0.00 61.00 60.37 1uwd s PRO 87 Cb -0.10 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.23 1uwd s PRO 87 CO 0.31 -2.10 0.48 1.87 0.04 0.00 0.00 177.00 177.60 1uwd n TRP 88 N 8.33 0.00 0.00 0.56 -0.00 -1.26 -4.90 117.44 120.16 1uwd n TRP 88 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.80 1uwd n TRP 88 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.81 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 -0.98 0.00 0.74 5.87 -1.04 -1.26 -5.02 114.28 112.60 1uwd n THR 89 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 1uwd n THR 89 Cb 0.00 0.00 0.39 0.00 -1.82 0.00 0.00 70.33 68.90 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 0.25 0.00 -2.82 -0.04 -1.26 -1.81 135.00 129.32 1uwd n PRO 90 Ca 0.00 0.12 0.13 0.00 -0.04 0.00 0.00 63.50 63.71 1uwd n PRO 90 Cb 0.00 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.36 1uwd n PRO 90 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1uwd n GLU 91 N -1.25 0.58 -0.19 0.54 0.28 -1.26 -4.23 120.64 115.11 1uwd n GLU 91 Ca 0.08 -0.31 0.07 0.00 -0.16 0.00 0.00 57.16 56.84 1uwd n GLU 91 Cb 0.11 -1.49 0.36 0.00 1.43 0.00 0.00 31.44 31.85 1uwd n GLU 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1uwd h ARG 92 N 0.76 0.72 -7.02 3.44 2.47 -1.63 -3.44 114.38 109.67 1uwd h ARG 92 Ca 0.00 -0.04 -0.50 0.00 -1.26 0.00 0.00 59.98 58.17 1uwd h ARG 92 Cb 0.48 -0.16 0.21 0.00 -1.65 0.00 0.00 29.97 28.85 1uwd h ARG 92 CO 0.00 0.47 -0.22 -1.33 0.56 0.00 0.00 179.97 179.45 1uwd n MET 93 N -4.49 -0.84 -1.59 0.04 2.81 -1.26 -4.49 117.12 107.30 1uwd n MET 93 Ca 0.11 -0.20 -0.37 0.00 -1.81 0.00 0.00 57.70 55.44 1uwd n MET 93 Cb 0.26 -2.10 0.07 0.00 -0.71 0.00 0.00 33.22 30.74 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 -3.11 1.19 0.22 7.83 7.64 -1.26 -4.92 113.62 121.21 1uwd n SER 94 Ca 0.08 0.77 0.07 0.00 1.01 0.00 0.00 58.87 60.81 1uwd n SER 94 Cb 0.54 -1.46 0.52 0.00 -1.01 0.00 0.00 64.21 62.80 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 0.29 0.00 0.00 1.43 0.13 -1.94 -1.71 132.00 130.19 1uwd h PRO 95 Ca -0.49 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1uwd h PRO 95 Cb 1.35 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.48 1uwd h PRO 95 CO 0.51 0.24 -0.08 0.93 -0.23 0.00 0.00 178.00 179.37 1uwd h GLU 96 N 0.00 0.00 0.00 0.86 5.08 -1.99 -1.19 114.58 117.35 1uwd h GLU 96 Ca -0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1uwd h GLU 96 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1uwd h GLU 96 CO 0.03 0.08 -0.46 -0.07 -1.00 0.00 0.00 179.01 177.58 1uwd h LEU 97 N 0.00 0.00 0.31 1.33 3.38 -1.67 -0.83 115.31 117.83 1uwd h LEU 97 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1uwd h LEU 97 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1uwd h LEU 97 CO 0.01 0.46 -0.15 0.03 0.09 0.00 0.00 178.44 178.89 1uwd h ARG 98 N 0.00 -0.40 -0.28 1.13 3.08 -1.27 0.82 114.38 117.46 1uwd h ARG 98 Ca -0.00 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.15 1uwd h ARG 98 Cb 1.21 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 1uwd h ARG 98 CO 0.06 -0.08 0.23 1.49 -1.07 0.00 0.00 179.97 180.60 1uwd h GLU 99 N -0.77 0.00 0.00 0.04 4.57 -1.46 0.17 114.58 117.13 1uwd h GLU 99 Ca -0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1uwd h GLU 99 Cb 0.51 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1uwd h GLU 99 CO 0.07 0.00 0.00 1.17 -1.18 0.00 0.00 179.01 179.07 1uwd n LYS 100 N -4.23 0.00 0.07 1.92 4.81 -0.32 -4.67 118.16 115.74 1uwd n LYS 100 Ca 0.04 0.40 -0.14 0.00 -0.87 0.00 0.00 58.31 57.75 1uwd n LYS 100 Cb 0.39 -0.98 -0.06 0.00 0.02 0.00 0.00 35.03 34.39 1uwd n LYS 100 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 1uwd h PHE 101 N 0.00 0.59 0.00 5.64 0.04 -0.64 -3.49 116.94 119.09 1uwd h PHE 101 Ca 0.00 -0.33 0.00 0.00 2.80 0.00 0.00 57.97 60.44 1uwd h PHE 101 Cb 0.00 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.09 1uwd h PHE 101 CO 0.03 1.17 0.00 0.41 -0.60 0.00 0.00 178.31 179.32 1uwd n GLY 102 N 1.02 2.65 3.07 -1.45 0.00 0.57 -5.06 105.19 105.98 1uwd n GLY 102 Ca -0.07 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1uwd n GLY 102 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70