#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 -0.49 -0.26 6.12 1.04 -1.26 -5.13 113.70 113.72 1uwd s SER 3 Ca 0.00 0.48 -0.03 0.00 0.48 0.00 0.00 55.95 56.88 1uwd s SER 3 Cb 0.00 0.46 0.11 0.00 0.10 0.00 0.00 66.02 66.68 1uwd s SER 3 CO 0.00 -0.56 0.19 -0.54 0.98 0.00 0.00 173.24 173.32 1uwd s LYS 4 N -1.27 0.22 -0.41 4.02 1.02 -1.26 -5.08 119.74 116.97 1uwd s LYS 4 Ca -0.12 -0.25 0.03 0.00 0.02 0.00 0.00 55.97 55.65 1uwd s LYS 4 Cb -0.02 -1.09 0.16 0.00 -0.52 0.00 0.00 37.83 36.36 1uwd s LYS 4 CO 0.08 -0.93 0.31 0.21 -0.92 0.00 0.00 175.35 174.10 1uwd s LYS 5 N 2.22 0.92 0.61 1.68 2.36 -1.26 -4.87 119.74 121.40 1uwd s LYS 5 Ca 0.08 -1.96 -0.19 0.00 -2.55 0.00 0.00 55.97 51.35 1uwd s LYS 5 Cb -0.15 -1.55 -0.03 0.00 -1.05 0.00 0.00 37.83 35.05 1uwd s LYS 5 CO -0.29 -1.32 1.15 0.28 1.55 0.00 0.00 175.35 176.72 1uwd n VAL 6 N 3.15 4.25 -4.53 4.02 0.31 -1.26 -5.05 118.33 119.22 1uwd n VAL 6 Ca 0.23 -0.50 -0.25 0.00 -0.01 0.00 0.00 64.34 63.82 1uwd n VAL 6 Cb 0.44 -1.35 -0.10 0.00 -0.91 0.00 0.00 33.84 31.91 1uwd n VAL 6 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1uwd s THR 7 N -1.43 1.39 0.45 2.52 -4.23 -1.26 -4.90 115.64 108.19 1uwd s THR 7 Ca 0.78 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.40 1uwd s THR 7 Cb -0.40 -2.79 0.28 0.00 1.34 0.00 0.00 72.50 70.93 1uwd s THR 7 CO 0.44 0.00 2.07 0.07 -0.54 0.00 0.00 174.62 176.67 1uwd h LYS 8 N 1.94 0.36 -0.19 3.99 2.10 -1.95 -2.30 116.57 120.52 1uwd h LYS 8 Ca -0.42 -0.02 -0.19 0.00 -2.00 0.00 0.00 60.65 58.02 1uwd h LYS 8 Cb 1.25 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1uwd h LYS 8 CO 0.72 0.24 -0.64 1.49 -2.00 0.00 0.00 179.45 179.26 1uwd h GLU 9 N 0.37 0.69 -0.55 0.07 4.81 -1.98 -0.59 114.58 117.40 1uwd h GLU 9 Ca 0.13 -0.49 -0.04 0.00 -0.13 0.00 0.00 59.36 58.83 1uwd h GLU 9 Cb 0.07 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1uwd h GLU 9 CO -0.03 1.11 0.19 -0.44 -0.73 0.00 0.00 179.01 179.11 1uwd h ASP 10 N 0.50 0.78 0.46 1.04 3.45 -1.85 0.73 116.42 121.53 1uwd h ASP 10 Ca -0.01 -0.19 -0.07 0.00 0.43 0.00 0.00 57.03 57.18 1uwd h ASP 10 Cb 1.23 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.79 1uwd h ASP 10 CO 0.13 0.76 -0.36 0.58 -1.57 0.00 0.00 179.24 178.78 1uwd h VAL 11 N 0.75 1.13 -0.06 -1.35 2.07 -1.31 0.21 116.25 117.69 1uwd h VAL 11 Ca 0.18 -1.27 -0.25 0.00 0.82 0.00 0.00 66.70 66.18 1uwd h VAL 11 Cb 0.24 1.71 0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1uwd h VAL 11 CO -0.01 0.35 -0.93 -0.07 0.02 0.00 0.00 177.57 176.92 1uwd h LEU 12 N 0.00 0.92 -0.44 2.57 3.38 -0.28 -2.83 115.31 118.63 1uwd h LEU 12 Ca -0.00 -0.70 -0.16 0.00 0.09 0.00 0.00 57.88 57.11 1uwd h LEU 12 Cb 0.68 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1uwd h LEU 12 CO 0.05 1.49 -0.41 0.78 0.09 0.00 0.00 178.44 180.44 1uwd h ASN 13 N 0.44 0.92 0.28 -0.43 2.35 -0.55 -3.31 115.58 115.27 1uwd h ASN 13 Ca -0.10 -0.43 -0.17 0.00 -0.55 0.00 0.00 56.30 55.05 1uwd h ASN 13 Cb 1.58 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.68 1uwd h ASN 13 CO 0.19 1.20 -0.69 0.00 -1.65 0.00 0.00 177.43 176.48 1uwd h ALA 14 N 0.83 0.66 0.00 -0.83 0.00 -0.64 -2.99 119.26 116.29 1uwd h ALA 14 Ca 0.05 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1uwd h ALA 14 Cb 0.99 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1uwd h ALA 14 CO 0.09 0.76 0.00 1.28 0.00 0.00 0.00 179.25 181.38 1uwd n LEU 15 N -3.85 0.00 -1.49 0.00 4.77 -1.07 -4.05 117.00 111.32 1uwd n LEU 15 Ca -0.04 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1uwd n LEU 15 Cb 0.68 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1uwd n LEU 15 CO 0.47 -0.14 0.48 0.29 -1.33 0.00 0.00 177.39 177.16 1uwd n LYS 16 N -1.50 0.57 0.00 3.23 5.02 -1.13 -1.80 118.16 122.55 1uwd n LYS 16 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1uwd n LYS 16 Cb 0.25 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1uwd n LYS 16 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1uwd n ASN 17 N 1.39 0.01 -4.51 4.39 0.23 -1.26 -5.02 115.26 110.50 1uwd n ASN 17 Ca 0.00 -0.01 -0.42 0.00 -0.53 0.00 0.00 54.58 53.62 1uwd n ASN 17 Cb 0.28 0.02 -0.03 0.00 -2.08 0.00 0.00 39.78 37.97 1uwd n ASN 17 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1uwd s VAL 18 N -0.02 4.28 -0.13 3.53 1.01 -0.75 -4.93 120.40 123.39 1uwd s VAL 18 Ca 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 1uwd s VAL 18 Cb 0.00 -4.92 -0.03 0.00 0.00 0.00 0.00 36.38 31.43 1uwd s VAL 18 CO 0.00 -1.73 -0.03 -0.63 0.00 0.00 0.00 175.10 172.71 1uwd s ILE 19 N 3.99 4.00 -0.41 2.22 1.01 -1.26 -2.24 121.20 128.51 1uwd s ILE 19 Ca 0.39 -0.34 -0.28 0.00 0.00 0.00 0.00 60.65 60.42 1uwd s ILE 19 Cb -0.03 -2.72 -0.00 0.00 0.01 0.00 0.00 42.46 39.72 1uwd s ILE 19 CO -0.08 0.53 1.56 -0.62 0.00 0.00 0.00 174.94 176.33 1uwd s ASP 20 N -0.09 6.12 0.47 3.58 -1.08 -0.27 -4.89 116.67 120.52 1uwd s ASP 20 Ca 0.02 0.90 0.32 0.00 -0.52 0.00 0.00 52.55 53.27 1uwd s ASP 20 Cb -0.13 -2.54 1.64 0.00 -1.46 0.00 0.00 42.92 40.43 1uwd s ASP 20 CO 0.02 -1.59 1.98 -0.26 0.52 0.00 0.00 175.17 175.84 1uwd h PHE 21 N 11.63 0.00 -0.07 -5.34 -1.00 -1.97 0.20 116.94 120.39 1uwd h PHE 21 Ca -0.29 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.43 1uwd h PHE 21 Cb 1.13 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.68 1uwd h PHE 21 CO 0.98 0.00 -0.22 1.49 -1.61 0.00 0.00 178.31 178.95 1uwd h GLU 22 N 0.00 0.12 0.00 1.51 4.22 -1.97 -3.37 114.58 115.09 1uwd h GLU 22 Ca 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.41 1uwd h GLU 22 Cb 0.13 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1uwd h GLU 22 CO 0.00 0.33 -0.27 1.28 -2.18 0.00 0.00 179.01 178.18 1uwd n LEU 23 N -4.23 0.00 -0.07 1.64 4.32 -1.08 -5.06 117.00 112.51 1uwd n LEU 23 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 1uwd n LEU 23 Cb 0.30 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.10 1uwd n LEU 23 CO 0.38 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.16 1uwd n GLY 24 N 0.98 1.22 3.20 -0.72 0.00 0.67 -5.07 105.19 105.47 1uwd n GLY 24 Ca 0.00 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 1uwd n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uwd s LEU 25 N -0.15 2.21 0.31 0.99 1.43 -1.22 -4.90 118.68 117.34 1uwd s LEU 25 Ca 0.00 -0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 52.52 1uwd s LEU 25 Cb 0.00 -0.73 -0.05 0.00 0.03 0.00 0.00 46.19 45.44 1uwd s LEU 25 CO 0.00 0.05 0.56 1.51 0.23 0.00 0.00 176.35 178.71 1uwd s ASP 26 N -1.37 6.41 0.43 2.29 1.47 -1.26 -1.11 116.67 123.53 1uwd s ASP 26 Ca 0.03 0.68 0.10 0.00 1.18 0.00 0.00 52.55 54.55 1uwd s ASP 26 Cb -0.09 -2.13 0.96 0.00 -0.34 0.00 0.00 42.92 41.32 1uwd s ASP 26 CO 0.02 -0.23 2.05 -0.37 0.68 0.00 0.00 175.17 177.32 1uwd h VAL 27 N 1.20 1.04 -0.22 2.11 -1.51 -1.65 -0.65 116.25 116.57 1uwd h VAL 27 Ca -0.48 -0.15 -0.20 0.00 -1.23 0.00 0.00 66.70 64.64 1uwd h VAL 27 Cb 1.19 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 1uwd h VAL 27 CO 0.65 0.08 -0.64 0.58 -1.23 0.00 0.00 177.57 177.01 1uwd h VAL 28 N 0.44 1.28 -0.32 7.19 2.07 -1.89 -0.12 116.25 124.92 1uwd h VAL 28 Ca 0.16 -1.85 -0.00 0.00 0.82 0.00 0.00 66.70 65.83 1uwd h VAL 28 Cb 0.10 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1uwd h VAL 28 CO -0.04 0.59 0.19 0.28 0.02 0.00 0.00 177.57 178.61 1uwd h SER 29 N 0.58 0.39 0.95 0.57 0.02 -1.77 -2.99 113.55 111.31 1uwd h SER 29 Ca -0.01 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1uwd h SER 29 Cb 1.25 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1uwd h SER 29 CO 0.14 0.33 0.00 0.25 -1.14 0.00 0.00 176.83 176.41 1uwd h LEU 30 N 0.41 0.00 -0.54 5.07 6.46 -0.88 -3.30 115.31 122.53 1uwd h LEU 30 Ca 0.11 0.00 -0.36 0.00 -0.12 0.00 0.00 57.88 57.52 1uwd h LEU 30 Cb 0.02 0.00 0.11 0.00 -0.73 0.00 0.00 40.66 40.06 1uwd h LEU 30 CO -0.02 0.00 -0.59 0.61 -0.62 0.00 0.00 178.44 177.82 1uwd n GLY 31 N 0.05 -0.39 0.18 3.75 0.00 -0.08 -3.67 105.19 105.03 1uwd n GLY 31 Ca 0.01 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.22 1uwd n GLY 31 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uwd h LEU 32 N -2.20 0.00 -9.41 0.99 3.38 -1.81 -3.45 115.31 102.81 1uwd h LEU 32 Ca -0.50 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 56.93 1uwd h LEU 32 Cb 1.33 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.09 1uwd h LEU 32 CO 0.50 0.39 0.87 -0.69 0.09 0.00 0.00 178.44 179.60 1uwd s VAL 33 N -3.59 3.47 -0.16 1.22 1.01 -1.26 -3.12 120.40 117.97 1uwd s VAL 33 Ca 0.00 0.91 -0.24 0.00 0.00 0.00 0.00 61.98 62.65 1uwd s VAL 33 Cb 0.11 -3.58 -0.23 0.00 0.00 0.00 0.00 36.38 32.67 1uwd s VAL 33 CO 0.69 0.01 0.51 1.88 0.00 0.00 0.00 175.10 178.19 1uwd h TYR 34 N 7.84 0.07 -3.83 5.22 0.05 -1.14 -3.49 116.97 121.69 1uwd h TYR 34 Ca -0.40 -0.05 -0.13 0.00 0.05 0.00 0.00 58.73 58.21 1uwd h TYR 34 Cb 1.19 -0.00 -0.18 0.00 1.01 0.00 0.00 36.73 38.75 1uwd h TYR 34 CO 0.75 1.29 -0.53 0.34 -1.05 0.00 0.00 178.16 178.95 1uwd s ASP 35 N -6.61 0.19 -0.04 3.88 3.68 -0.92 -4.98 116.67 111.88 1uwd s ASP 35 Ca -0.23 -0.56 -0.01 0.00 2.13 0.00 0.00 52.55 53.88 1uwd s ASP 35 Cb 0.02 0.22 0.03 0.00 -1.45 0.00 0.00 42.92 41.75 1uwd s ASP 35 CO 0.66 -0.51 0.06 -0.63 0.13 0.00 0.00 175.17 174.88 1uwd s ILE 36 N -2.67 -0.09 -0.10 4.11 1.01 -1.26 -1.80 121.20 120.40 1uwd s ILE 36 Ca -0.04 0.29 -0.09 0.00 0.00 0.00 0.00 60.65 60.80 1uwd s ILE 36 Cb -0.01 -0.14 0.03 0.00 0.01 0.00 0.00 42.46 42.35 1uwd s ILE 36 CO -0.05 0.12 0.27 0.00 0.00 0.00 0.00 174.94 175.28 1uwd s GLN 37 N 1.51 0.33 -0.12 2.79 -2.07 -0.16 -4.92 119.66 117.02 1uwd s GLN 37 Ca -0.04 0.35 -0.01 0.00 -1.82 0.00 0.00 55.36 53.84 1uwd s GLN 37 Cb -0.12 0.16 0.03 0.00 -1.09 0.00 0.00 33.01 31.99 1uwd s GLN 37 CO -0.04 -0.04 -0.04 0.42 -1.32 0.00 0.00 175.29 174.27 1uwd s ILE 38 N 0.08 0.83 1.12 3.63 1.09 -1.26 -0.42 121.20 126.27 1uwd s ILE 38 Ca -0.01 -0.26 -0.12 0.00 -1.10 0.00 0.00 60.65 59.16 1uwd s ILE 38 Cb -0.02 -0.95 0.26 0.00 -1.06 0.00 0.00 42.46 40.69 1uwd s ILE 38 CO 0.00 0.25 1.04 0.47 -0.10 0.00 0.00 174.94 176.61 1uwd n ASP 39 N 4.99 -1.29 -0.27 3.58 8.00 -0.86 -4.84 116.55 125.86 1uwd n ASP 39 Ca -0.11 -0.04 0.09 0.00 0.71 0.00 0.00 54.79 55.45 1uwd n ASP 39 Cb 0.49 -1.31 0.34 0.00 -0.02 0.00 0.00 41.12 40.62 1uwd n ASP 39 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1uwd h ASP 40 N -2.53 0.73 0.47 -2.24 1.82 -1.96 -0.32 116.42 112.40 1uwd h ASP 40 Ca -0.58 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.09 1uwd h ASP 40 Cb 1.32 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.21 1uwd h ASP 40 CO 0.47 0.40 0.00 0.00 -1.61 0.00 0.00 179.24 178.50 1uwd n GLN 41 N -4.55 0.02 -3.51 0.28 3.00 -1.26 -4.84 117.38 106.52 1uwd n GLN 41 Ca 0.16 0.29 -0.23 0.00 -0.01 0.00 0.00 57.00 57.22 1uwd n GLN 41 Cb 0.38 -1.54 0.07 0.00 0.00 0.00 0.00 30.24 29.15 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 -1.58 -6.14 -4.56 1.08 3.02 -0.13 -4.41 115.26 102.55 1uwd n ASN 42 Ca 0.03 -0.50 -0.23 0.00 -0.03 0.00 0.00 54.58 53.85 1uwd n ASN 42 Cb 0.16 -4.77 -0.05 0.00 -0.61 0.00 0.00 39.78 34.50 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 -3.27 4.65 -0.26 6.41 0.02 -1.26 -2.58 114.94 118.65 1uwd s ASN 43 Ca 0.54 -0.21 -0.29 0.00 -1.02 0.00 0.00 52.86 51.88 1uwd s ASN 43 Cb -0.24 -2.55 -0.00 0.00 0.02 0.00 0.00 41.25 38.48 1uwd s ASN 43 CO 0.67 -3.14 1.28 -0.69 0.02 0.00 0.00 177.10 175.24 1uwd s VAL 44 N 11.86 4.21 -0.09 1.60 1.01 -0.67 -2.02 120.40 136.30 1uwd s VAL 44 Ca 0.80 1.40 0.03 0.00 0.00 0.00 0.00 61.98 64.21 1uwd s VAL 44 Cb -0.10 -4.11 0.01 0.00 0.00 0.00 0.00 36.38 32.17 1uwd s VAL 44 CO 0.06 -0.36 -0.19 -0.75 0.00 0.00 0.00 175.10 173.87 1uwd s LYS 45 N 3.92 2.48 -0.09 2.72 2.20 0.43 -0.67 119.74 130.74 1uwd s LYS 45 Ca 0.55 -0.68 -0.03 0.00 -0.36 0.00 0.00 55.97 55.46 1uwd s LYS 45 Cb -0.18 -1.95 0.04 0.00 -1.51 0.00 0.00 37.83 34.23 1uwd s LYS 45 CO 0.20 0.08 0.05 0.08 -0.36 0.00 0.00 175.35 175.40 1uwd s VAL 46 N 0.57 0.06 -0.32 4.02 1.01 -0.58 -0.99 120.40 124.17 1uwd s VAL 46 Ca -0.15 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.71 1uwd s VAL 46 Cb -0.17 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 35.83 1uwd s VAL 46 CO 0.05 0.08 1.03 -0.76 0.00 0.00 0.00 175.10 175.49 1uwd s LEU 47 N 2.09 3.96 0.44 3.92 1.02 -0.75 -0.93 118.68 128.44 1uwd s LEU 47 Ca 0.04 0.97 0.03 0.00 0.02 0.00 0.00 54.13 55.20 1uwd s LEU 47 Cb -0.13 -3.46 -0.02 0.00 0.02 0.00 0.00 46.19 42.60 1uwd s LEU 47 CO -0.05 -0.84 0.12 -0.32 0.02 0.00 0.00 176.35 175.28 1uwd s MET 48 N 3.54 2.02 0.23 1.70 1.75 -0.26 -0.58 119.30 127.70 1uwd s MET 48 Ca 0.43 -2.26 -0.10 0.00 -1.25 0.00 0.00 55.69 52.51 1uwd s MET 48 Cb -0.12 -0.73 -0.01 0.00 2.84 0.00 0.00 34.83 36.80 1uwd s MET 48 CO 0.15 -0.50 0.39 -0.08 -0.65 0.00 0.00 175.02 174.33 1uwd s THR 49 N -3.13 0.01 0.68 10.11 -1.32 -1.18 -0.85 115.64 119.95 1uwd s THR 49 Ca 0.19 -1.52 0.00 0.00 -1.21 0.00 0.00 61.69 59.15 1uwd s THR 49 Cb 0.01 -2.22 0.11 0.00 -1.51 0.00 0.00 72.50 68.89 1uwd s THR 49 CO 0.13 -0.03 0.94 -0.04 -2.21 0.00 0.00 174.62 173.41 1uwd s MET 50 N -4.04 1.88 0.21 7.08 -1.94 -1.26 -4.82 119.30 116.41 1uwd s MET 50 Ca 0.25 -1.06 -0.10 0.00 -1.71 0.00 0.00 55.69 53.07 1uwd s MET 50 Cb 0.01 -2.37 0.21 0.00 2.01 0.00 0.00 34.83 34.69 1uwd s MET 50 CO 0.09 -1.28 1.82 1.15 -0.01 0.00 0.00 175.02 176.79 1uwd h THR 51 N -0.38 1.03 -2.92 2.05 2.02 -1.98 -3.42 112.91 109.30 1uwd h THR 51 Ca -0.37 -0.26 0.07 0.00 0.77 0.00 0.00 66.41 66.62 1uwd h THR 51 Cb 1.27 0.21 -0.06 0.00 -1.74 0.00 0.00 68.15 67.83 1uwd h THR 51 CO 0.43 0.14 0.26 0.42 0.37 0.00 0.00 175.52 177.13 1uwd s THR 52 N -6.11 0.00 -1.42 3.16 -4.23 -1.26 -4.56 115.64 101.22 1uwd s THR 52 Ca -0.13 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 1uwd s THR 52 Cb 0.15 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 72.15 1uwd s THR 52 CO 0.76 0.00 0.65 -0.81 -0.54 0.00 0.00 174.62 174.68 1uwd n PRO 53 N -0.45 0.91 -0.17 3.99 -0.04 -1.26 -4.28 135.00 133.71 1uwd n PRO 53 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1uwd n PRO 53 Cb 0.60 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.18 0.05 -1.74 0.54 0.00 -1.26 -5.09 117.12 109.44 1uwd n MET 54 Ca 0.00 -0.70 -0.34 0.00 0.00 0.00 0.00 57.70 56.66 1uwd n MET 54 Cb 0.13 -0.51 0.06 0.00 0.00 0.00 0.00 33.22 32.89 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 0.20 0.00 -0.45 0.00 0.13 -1.99 -2.78 132.00 127.11 1uwd h PRO 56 Ca -0.48 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.39 1uwd h PRO 56 Cb 1.28 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.08 1uwd h PRO 56 CO 0.53 0.31 -0.91 1.47 -0.23 0.00 0.00 178.00 179.16 1uwd n LEU 57 N -3.26 0.67 -0.33 1.56 -0.00 -1.26 -5.00 117.00 109.38 1uwd n LEU 57 Ca 0.02 -3.27 0.08 0.00 -0.00 0.00 0.00 56.01 52.84 1uwd n LEU 57 Cb 0.59 0.35 0.24 0.00 -0.00 0.00 0.00 43.42 44.60 1uwd n LEU 57 CO 0.37 1.37 1.17 0.00 -0.00 0.00 0.00 177.39 180.29 1uwd h ALA 58 N 2.36 1.42 -0.62 1.47 0.00 -1.87 0.14 119.26 122.16 1uwd h ALA 58 Ca -0.20 0.06 0.16 0.00 0.00 0.00 0.00 54.91 54.93 1uwd h ALA 58 Cb 1.26 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1uwd h ALA 58 CO 0.17 0.05 0.43 0.78 0.00 0.00 0.00 179.25 180.68 1uwd h GLY 59 N 0.80 0.14 0.37 0.00 0.00 -1.95 0.21 103.07 102.65 1uwd h GLY 59 Ca 0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.77 1uwd h GLY 59 CO -0.32 0.01 -0.03 1.98 0.00 0.00 0.00 176.54 178.19 1uwd h MET 60 N 0.08 0.03 -0.69 4.80 -1.53 -1.16 -1.61 114.93 114.86 1uwd h MET 60 Ca 0.29 -0.02 0.05 0.00 -3.44 0.00 0.00 59.70 56.58 1uwd h MET 60 Cb 1.05 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 32.06 1uwd h MET 60 CO -0.03 0.68 0.41 0.82 0.14 0.00 0.00 176.91 178.93 1uwd h ILE 61 N -0.62 1.03 -0.42 1.77 2.04 -1.00 0.57 117.51 120.89 1uwd h ILE 61 Ca -0.00 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1uwd h ILE 61 Cb 0.69 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1uwd h ILE 61 CO 0.01 0.14 0.22 -0.07 0.00 0.00 0.00 178.15 178.45 1uwd h LEU 62 N 0.77 0.51 0.16 1.44 3.38 -0.69 -1.03 115.31 119.85 1uwd h LEU 62 Ca 0.29 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1uwd h LEU 62 Cb 0.11 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1uwd h LEU 62 CO -0.15 0.42 -0.08 0.28 0.09 0.00 0.00 178.44 179.01 1uwd h SER 63 N 0.58 -0.18 -0.79 -0.43 0.02 -0.15 -3.06 113.55 109.54 1uwd h SER 63 Ca 0.15 -0.28 0.15 0.00 -0.84 0.00 0.00 61.79 60.96 1uwd h SER 63 Cb 0.03 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.56 1uwd h SER 63 CO -0.02 0.21 0.52 -0.78 -1.14 0.00 0.00 176.83 175.61 1uwd h ASP 64 N -0.60 0.45 0.24 3.07 3.58 -0.36 0.78 116.42 123.59 1uwd h ASP 64 Ca -0.02 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1uwd h ASP 64 Cb 0.45 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1uwd h ASP 64 CO 0.04 0.23 -0.11 0.00 -2.88 0.00 0.00 179.24 176.52 1uwd h ALA 65 N 1.63 -1.09 -1.00 -0.78 0.00 -1.25 -0.99 119.26 115.79 1uwd h ALA 65 Ca 0.39 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.39 1uwd h ALA 65 Cb 0.81 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.63 1uwd h ALA 65 CO -0.14 -1.06 0.62 1.49 0.00 0.00 0.00 179.25 180.16 1uwd h GLU 66 N -0.32 0.82 0.00 0.00 4.81 -1.29 0.64 114.58 119.24 1uwd h GLU 66 Ca -0.03 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1uwd h GLU 66 Cb 0.25 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1uwd h GLU 66 CO 0.05 0.54 0.00 -1.91 -0.73 0.00 0.00 179.01 176.96 1uwd n GLU 67 N -4.70 0.15 -0.04 1.92 2.13 0.21 -0.47 120.64 119.85 1uwd n GLU 67 Ca 0.22 0.18 -0.02 0.00 0.66 0.00 0.00 57.16 58.19 1uwd n GLU 67 Cb 0.49 -1.50 -0.08 0.00 0.27 0.00 0.00 31.44 30.63 1uwd n GLU 67 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1uwd n ALA 68 N -1.33 1.93 0.08 4.31 0.00 0.01 -4.66 120.51 120.85 1uwd n ALA 68 Ca 0.06 -0.54 -0.18 0.00 0.00 0.00 0.00 53.44 52.78 1uwd n ALA 68 Cb 0.12 -0.07 -0.10 0.00 0.00 0.00 0.00 19.45 19.41 1uwd n ALA 68 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1uwd h ILE 69 N 0.00 1.35 0.00 0.00 2.04 -0.40 -3.31 117.51 117.19 1uwd h ILE 69 Ca -0.19 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.17 1uwd h ILE 69 Cb 1.29 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.95 1uwd h ILE 69 CO 0.01 0.75 0.00 2.29 0.00 0.00 0.00 178.15 181.20 1uwd n LYS 70 N -3.75 0.76 -0.07 2.37 2.85 0.38 -2.48 118.16 118.22 1uwd n LYS 70 Ca -0.10 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.22 1uwd n LYS 70 Cb 0.92 -1.46 0.10 0.00 -0.65 0.00 0.00 35.03 33.93 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 -0.96 1.48 -2.11 -1.58 -0.00 -1.25 -4.78 118.16 108.95 1uwd n LYS 71 Ca 0.17 -1.56 -0.31 0.00 -0.00 0.00 0.00 58.31 56.60 1uwd n LYS 71 Cb 0.08 -1.27 -0.05 0.00 -0.00 0.00 0.00 35.03 33.78 1uwd n LYS 71 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1uwd n ILE 72 N 0.72 2.28 -0.16 0.58 5.41 -1.03 -4.81 119.36 122.34 1uwd n ILE 72 Ca 0.10 -2.35 -0.01 0.00 1.00 0.00 0.00 62.75 61.48 1uwd n ILE 72 Cb 0.37 -2.21 -0.02 0.00 -0.71 0.00 0.00 39.64 37.07 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 8.22 0.33 0.00 0.38 0.28 -1.26 -1.00 120.64 127.59 1uwd n GLU 73 Ca 0.46 -0.09 0.00 0.00 -0.16 0.00 0.00 57.16 57.36 1uwd n GLU 73 Cb 0.46 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.86 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 2.28 0.81 2.96 -1.84 0.00 -1.26 -4.98 105.19 103.16 1uwd n GLY 74 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.35 1.61 3.14 -0.17 -4.68 118.33 117.88 1uwd n VAL 75 Ca 0.00 -0.02 -0.07 0.00 -2.96 0.00 0.00 64.34 61.29 1uwd n VAL 75 Cb 0.00 -1.20 -0.05 0.00 -1.06 0.00 0.00 33.84 31.52 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 4.94 -0.80 -4.40 6.55 5.15 -1.08 -4.59 115.26 121.04 1uwd n ASN 76 Ca 0.06 1.49 -0.24 0.00 -0.60 0.00 0.00 54.58 55.29 1uwd n ASN 76 Cb 0.06 -0.23 -0.11 0.00 -0.53 0.00 0.00 39.78 38.97 1uwd n ASN 76 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1uwd s ASN 77 N -5.39 3.18 -0.52 1.20 2.47 -1.07 -4.98 114.94 109.84 1uwd s ASN 77 Ca -0.11 -0.90 0.05 0.00 0.42 0.00 0.00 52.86 52.33 1uwd s ASN 77 Cb 0.11 -0.23 0.19 0.00 -1.45 0.00 0.00 41.25 39.88 1uwd s ASN 77 CO 0.54 0.05 0.44 0.52 -3.72 0.00 0.00 177.10 174.93 1uwd n VAL 78 N 0.10 0.00 -2.34 -5.21 0.31 -1.26 -1.67 118.33 108.26 1uwd n VAL 78 Ca -0.11 -4.08 -0.41 0.00 -0.01 0.00 0.00 64.34 59.72 1uwd n VAL 78 Cb 0.57 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 1uwd n VAL 78 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1uwd n GLU 79 N 2.23 4.47 -2.59 5.55 -0.58 0.16 -4.95 120.64 124.92 1uwd n GLU 79 Ca 0.26 -3.85 -0.43 0.00 -0.42 0.00 0.00 57.16 52.72 1uwd n GLU 79 Cb 0.44 -2.67 -0.02 0.00 -0.57 0.00 0.00 31.44 28.63 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 -1.53 4.16 -0.07 2.62 1.01 -1.26 -1.52 120.40 123.81 1uwd s VAL 80 Ca 0.44 1.15 -0.30 0.00 0.00 0.00 0.00 61.98 63.27 1uwd s VAL 80 Cb 0.14 -4.64 -0.02 0.00 0.00 0.00 0.00 36.38 31.87 1uwd s VAL 80 CO -0.04 -1.09 1.01 -0.70 0.00 0.00 0.00 175.10 174.27 1uwd s GLU 81 N 4.58 4.47 -0.76 2.72 2.12 -0.11 -4.96 118.70 126.76 1uwd s GLU 81 Ca 0.47 1.41 -0.15 0.00 0.36 0.00 0.00 54.97 57.07 1uwd s GLU 81 Cb -0.07 -3.51 0.19 0.00 0.26 0.00 0.00 34.13 31.00 1uwd s GLU 81 CO 0.30 -0.23 0.72 -1.17 -0.54 0.00 0.00 175.26 174.34 1uwd s LEU 82 N 1.66 6.57 -0.14 2.70 2.96 -1.26 -1.10 118.68 130.06 1uwd s LEU 82 Ca 0.50 -2.45 -0.29 0.00 -0.22 0.00 0.00 54.13 51.67 1uwd s LEU 82 Cb -0.20 -2.22 -0.01 0.00 0.50 0.00 0.00 46.19 44.27 1uwd s LEU 82 CO 0.22 -0.66 1.04 -0.89 -1.32 0.00 0.00 176.35 174.73 1uwd s THR 83 N 0.60 4.70 -0.00 3.68 2.01 -0.03 -4.92 115.64 121.68 1uwd s THR 83 Ca 0.15 1.99 0.01 0.00 0.31 0.00 0.00 61.69 64.15 1uwd s THR 83 Cb -0.15 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.06 1uwd s THR 83 CO -0.06 -0.06 0.02 0.49 -0.69 0.00 0.00 174.62 174.32 1uwd n PHE 84 N 5.49 0.00 -0.05 4.92 3.72 -1.26 -4.10 117.46 126.18 1uwd n PHE 84 Ca 0.10 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.36 1uwd n PHE 84 Cb 0.48 -0.02 -0.07 0.00 -0.94 0.00 0.00 39.48 38.92 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 0.48 -3.97 4.37 3.32 -2.00 -3.46 116.42 115.18 1uwd h ASP 85 Ca -0.00 -0.55 -0.49 0.00 0.02 0.00 0.00 57.03 56.01 1uwd h ASP 85 Cb 0.14 -0.14 0.03 0.00 0.22 0.00 0.00 39.33 39.58 1uwd h ASP 85 CO 0.00 0.95 0.43 -2.16 -1.72 0.00 0.00 179.24 176.74 1uwd s PRO 86 N -4.03 4.09 0.38 3.56 0.04 -1.26 -5.01 135.00 132.77 1uwd s PRO 86 Ca -0.14 1.58 -0.27 0.00 0.04 0.00 0.00 61.00 62.22 1uwd s PRO 86 Cb 0.05 -2.54 -0.09 0.00 0.04 0.00 0.00 34.50 31.97 1uwd s PRO 86 CO 0.78 -0.22 1.28 -1.25 0.04 0.00 0.00 177.00 177.64 1uwd s PRO 87 N -2.50 4.10 0.00 0.56 0.04 -1.26 -5.02 135.00 130.92 1uwd s PRO 87 Ca 0.58 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1uwd s PRO 87 Cb -0.24 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.46 1uwd s PRO 87 CO 0.30 -0.37 0.07 1.87 0.04 0.00 0.00 177.00 178.91 1uwd n TRP 88 N 0.33 0.00 0.00 0.56 -0.00 -1.26 -5.08 117.44 112.00 1uwd n TRP 88 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.53 1uwd n TRP 88 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.74 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 -0.08 0.00 0.21 5.87 -1.04 -1.26 -5.00 114.28 112.98 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 0.58 0.00 -1.82 0.00 0.00 70.33 69.09 1uwd n THR 89 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1uwd h PRO 90 N 0.00 0.08 0.00 -2.82 0.13 -1.97 -2.22 132.00 125.21 1uwd h PRO 90 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1uwd h PRO 90 Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.11 1uwd h PRO 90 CO 0.00 0.09 0.00 -0.85 -0.23 0.00 0.00 178.00 177.01 1uwd n GLU 91 N -4.49 0.06 0.27 0.86 0.28 -1.26 -3.16 120.64 113.20 1uwd n GLU 91 Ca -0.02 0.42 0.15 0.00 -0.16 0.00 0.00 57.16 57.55 1uwd n GLU 91 Cb 0.12 -1.65 0.72 0.00 1.43 0.00 0.00 31.44 32.06 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 0.00 0.00 -7.27 3.44 2.47 -1.66 -3.44 114.38 107.92 1uwd h ARG 92 Ca 0.00 0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 58.21 1uwd h ARG 92 Cb 0.16 0.00 0.18 0.00 -1.65 0.00 0.00 29.97 28.66 1uwd h ARG 92 CO 0.00 0.08 0.23 -1.64 0.56 0.00 0.00 179.97 179.20 1uwd s MET 93 N -3.86 1.15 0.71 0.04 -1.94 -1.19 -4.07 119.30 110.14 1uwd s MET 93 Ca -0.01 1.33 -0.16 0.00 -1.71 0.00 0.00 55.69 55.14 1uwd s MET 93 Cb 0.11 -1.76 0.01 0.00 2.01 0.00 0.00 34.83 35.20 1uwd s MET 93 CO 0.56 -2.47 1.08 0.43 -0.01 0.00 0.00 175.02 174.61 1uwd n SER 94 N -4.10 0.93 -0.37 3.03 7.64 -1.24 -4.79 113.62 114.72 1uwd n SER 94 Ca 0.10 0.70 0.00 0.00 1.01 0.00 0.00 58.87 60.68 1uwd n SER 94 Cb 0.53 -1.46 0.15 0.00 -1.01 0.00 0.00 64.21 62.42 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 -0.15 1.23 0.00 1.43 0.13 -1.93 -0.15 132.00 132.57 1uwd h PRO 95 Ca -0.48 -0.07 -0.11 0.00 -0.87 0.00 0.00 66.00 64.47 1uwd h PRO 95 Cb 1.33 -0.28 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1uwd h PRO 95 CO 0.48 0.82 -0.52 0.93 -0.23 0.00 0.00 178.00 179.48 1uwd h GLU 96 N 1.27 0.00 -0.01 0.86 5.08 -1.99 -2.43 114.58 117.36 1uwd h GLU 96 Ca 0.40 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.67 1uwd h GLU 96 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1uwd h GLU 96 CO -0.13 0.52 -0.42 -0.07 -1.00 0.00 0.00 179.01 177.91 1uwd h LEU 97 N 0.00 0.02 -1.07 1.33 3.38 -1.41 -1.26 115.31 116.30 1uwd h LEU 97 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1uwd h LEU 97 Cb 0.92 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1uwd h LEU 97 CO 0.07 0.44 0.00 0.54 0.09 0.00 0.00 178.44 179.58 1uwd n ARG 98 N -4.04 0.17 0.00 1.13 3.00 -0.62 -0.70 116.66 115.61 1uwd n ARG 98 Ca -0.02 0.53 0.10 0.00 -0.01 0.00 0.00 57.85 58.45 1uwd n ARG 98 Cb 0.45 -1.92 0.02 0.00 0.00 0.00 0.00 32.46 31.00 1uwd n ARG 98 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1uwd n GLU 99 N -2.27 1.53 -0.07 5.56 1.02 -0.55 -4.37 120.64 121.50 1uwd n GLU 99 Ca 0.00 -1.09 -0.07 0.00 -0.02 0.00 0.00 57.16 55.98 1uwd n GLU 99 Cb 0.14 -1.39 -0.04 0.00 -0.02 0.00 0.00 31.44 30.13 1uwd n GLU 99 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1uwd h LYS 100 N 2.57 0.00 -6.80 3.49 3.64 -0.43 -3.49 116.57 115.55 1uwd h LYS 100 Ca 0.00 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.88 1uwd h LYS 100 Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1uwd h LYS 100 CO 0.00 0.28 0.08 -0.06 -2.27 0.00 0.00 179.45 177.48 1uwd s PHE 101 N -2.03 3.48 -0.87 1.91 0.08 0.13 -4.99 117.98 115.69 1uwd s PHE 101 Ca -0.13 0.97 -0.02 0.00 0.12 0.00 0.00 56.93 57.88 1uwd s PHE 101 Cb 0.01 -2.39 0.32 0.00 -0.57 0.00 0.00 43.02 40.40 1uwd s PHE 101 CO 0.26 -0.08 2.04 0.41 -0.10 0.00 0.00 175.22 177.75 1uwd n GLY 102 N -1.32 5.58 0.00 4.36 0.00 -1.26 -4.69 105.19 107.87 1uwd n GLY 102 Ca 0.02 -2.46 0.00 0.00 0.00 0.00 0.00 46.02 43.58 1uwd n GLY 102 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70