#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ulg s LEU 2 N 0.00 4.21 0.11 -0.89 2.96 -1.26 -0.67 118.68 123.14 1ulg s LEU 2 Ca 0.00 0.56 0.07 0.00 -0.22 0.00 0.00 54.13 54.54 1ulg s LEU 2 Cb 0.00 -2.50 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 1ulg s LEU 2 CO 0.00 -0.00 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.54 1ulg s TYR 3 N 0.91 1.59 -0.36 5.38 1.51 -0.24 -5.01 117.35 121.12 1ulg s TYR 3 Ca 0.19 -0.47 -0.00 0.00 -1.01 0.00 0.00 57.07 55.78 1ulg s TYR 3 Cb -0.14 -0.85 0.10 0.00 -0.11 0.00 0.00 41.96 40.96 1ulg s TYR 3 CO 0.07 0.18 0.11 -1.01 -1.11 0.00 0.00 175.55 173.79 1ulg s HIS 4 N -1.57 3.59 -0.41 2.71 3.76 -1.26 -1.77 115.29 120.34 1ulg s HIS 4 Ca 0.07 -2.54 -0.19 0.00 -0.15 0.00 0.00 55.06 52.25 1ulg s HIS 4 Cb -0.08 -2.92 0.02 0.00 1.11 0.00 0.00 32.58 30.71 1ulg s HIS 4 CO 0.04 -0.94 0.56 -1.17 -0.85 0.00 0.00 174.74 172.38 1ulg s LEU 5 N 1.07 4.55 0.33 0.89 2.96 -1.05 -4.91 118.68 122.53 1ulg s LEU 5 Ca 0.07 -0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 53.52 1ulg s LEU 5 Cb -0.21 -2.61 -0.07 0.00 0.50 0.00 0.00 46.19 43.80 1ulg s LEU 5 CO -0.05 -0.65 0.70 -0.36 -1.32 0.00 0.00 176.35 174.67 1ulg s PHE 6 N 2.54 3.42 0.44 5.38 0.40 -1.26 -1.12 117.98 127.78 1ulg s PHE 6 Ca 0.19 1.05 -0.26 0.00 -0.60 0.00 0.00 56.93 57.32 1ulg s PHE 6 Cb -0.15 -2.42 -0.09 0.00 0.51 0.00 0.00 43.02 40.87 1ulg s PHE 6 CO 0.16 0.06 1.44 1.55 0.70 0.00 0.00 175.22 179.13 1ulg n VAL 7 N -0.68 2.73 -3.23 -0.44 3.14 -1.26 -2.20 118.33 116.39 1ulg n VAL 7 Ca 0.02 -0.50 -0.23 0.00 -2.96 0.00 0.00 64.34 60.67 1ulg n VAL 7 Cb 0.53 -1.85 0.02 0.00 -1.06 0.00 0.00 33.84 31.48 1ulg n VAL 7 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1ulg n ASN 8 N -0.12 -5.08 -1.08 6.55 3.02 0.46 -4.94 115.26 114.06 1ulg n ASN 8 Ca 0.05 -0.36 -0.01 0.00 -0.03 0.00 0.00 54.58 54.23 1ulg n ASN 8 Cb 0.41 -4.13 -0.00 0.00 -0.61 0.00 0.00 39.78 35.45 1ulg n ASN 8 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ulg n ASN 9 N -2.46 -0.05 -1.56 6.41 4.05 -0.93 -4.99 115.26 115.72 1ulg n ASN 9 Ca -0.06 -1.08 -0.04 0.00 0.45 0.00 0.00 54.58 53.85 1ulg n ASN 9 Cb 0.58 0.10 -0.01 0.00 1.23 0.00 0.00 39.78 41.68 1ulg n ASN 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ulg n GLN 10 N -0.02 0.22 -3.73 1.20 10.64 -1.26 -1.84 117.38 122.59 1ulg n GLN 10 Ca 0.00 -0.77 -0.12 0.00 -1.83 0.00 0.00 57.00 54.28 1ulg n GLN 10 Cb 0.02 0.77 -0.12 0.00 -0.86 0.00 0.00 30.24 30.05 1ulg n GLN 10 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 1ulg s VAL 11 N -2.58 -0.03 -0.19 -0.39 -7.23 -0.83 -4.74 120.40 104.42 1ulg s VAL 11 Ca 0.08 0.10 -0.23 0.00 -1.81 0.00 0.00 61.98 60.12 1ulg s VAL 11 Cb -0.00 -0.42 -0.02 0.00 0.56 0.00 0.00 36.38 36.49 1ulg s VAL 11 CO 0.06 0.04 0.73 -0.54 -0.31 0.00 0.00 175.10 175.08 1ulg s LYS 12 N 1.01 4.24 0.39 4.82 1.02 -1.26 -2.35 119.74 127.61 1ulg s LYS 12 Ca -0.07 0.81 -0.25 0.00 0.02 0.00 0.00 55.97 56.48 1ulg s LYS 12 Cb -0.08 -3.58 -0.09 0.00 -0.52 0.00 0.00 37.83 33.56 1ulg s LYS 12 CO -0.07 -0.30 1.08 -0.51 -0.92 0.00 0.00 175.35 174.63 1ulg s LEU 13 N 2.08 4.19 0.18 3.17 1.43 -0.85 -4.94 118.68 123.94 1ulg s LEU 13 Ca 0.33 2.12 -0.10 0.00 -1.03 0.00 0.00 54.13 55.45 1ulg s LEU 13 Cb -0.16 -4.10 0.07 0.00 0.03 0.00 0.00 46.19 42.03 1ulg s LEU 13 CO 0.11 -0.50 1.66 -0.61 0.23 0.00 0.00 176.35 177.24 1ulg h GLN 14 N 2.64 1.03 -5.67 1.70 5.75 -1.96 -3.44 115.11 115.16 1ulg h GLN 14 Ca -0.48 -0.29 -0.48 0.00 -0.15 0.00 0.00 58.65 57.25 1ulg h GLN 14 Cb 1.22 -0.11 -0.15 0.00 1.07 0.00 0.00 27.48 29.51 1ulg h GLN 14 CO 0.63 0.97 -0.74 -0.80 -2.65 0.00 0.00 178.83 176.24 1ulg s ASN 15 N -6.44 2.71 0.52 -0.69 0.02 -1.26 -5.13 114.94 104.66 1ulg s ASN 15 Ca -0.12 -1.01 -0.20 0.00 -1.02 0.00 0.00 52.86 50.51 1ulg s ASN 15 Cb 0.13 -0.16 -0.07 0.00 0.02 0.00 0.00 41.25 41.18 1ulg s ASN 15 CO 0.84 -0.13 1.13 -1.81 0.02 0.00 0.00 177.10 177.15 1ulg s ASP 16 N -3.28 5.90 -0.49 -1.22 1.01 -1.26 -4.92 116.67 112.41 1ulg s ASP 16 Ca 0.23 2.18 -0.27 0.00 0.71 0.00 0.00 52.55 55.40 1ulg s ASP 16 Cb -0.02 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.36 1ulg s ASP 16 CO 0.08 -1.09 1.06 0.12 0.21 0.00 0.00 175.17 175.54 1ulg s PHE 17 N -1.73 2.82 0.28 4.23 5.36 0.12 -4.88 117.98 124.18 1ulg s PHE 17 Ca 0.70 0.50 0.03 0.00 -0.96 0.00 0.00 56.93 57.19 1ulg s PHE 17 Cb -0.24 -4.26 -0.01 0.00 -0.34 0.00 0.00 43.02 38.16 1ulg s PHE 17 CO 0.28 -1.27 0.10 0.36 -1.46 0.00 0.00 175.22 173.23 1ulg n LYS 18 N 7.67 0.71 -1.61 10.12 2.85 -1.26 -1.78 118.16 134.86 1ulg n LYS 18 Ca 0.09 -2.37 -0.52 0.00 -1.05 0.00 0.00 58.31 54.45 1ulg n LYS 18 Cb 0.49 1.26 -0.06 0.00 -0.65 0.00 0.00 35.03 36.07 1ulg n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1ulg n PRO 19 N -0.64 1.28 0.00 -1.58 -0.02 -1.26 -0.33 135.00 132.45 1ulg n PRO 19 Ca -0.04 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1ulg n PRO 19 Cb 0.42 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1ulg n PRO 19 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ulg n GLU 20 N 2.99 0.00 -1.89 -0.52 -0.58 0.62 -4.97 120.64 116.30 1ulg n GLU 20 Ca 0.19 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.54 1ulg n GLU 20 Cb 0.20 -0.13 0.02 0.00 -0.57 0.00 0.00 31.44 30.95 1ulg n GLU 20 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1ulg s SER 21 N -0.52 5.79 -0.03 1.62 0.01 0.55 -3.48 113.70 117.64 1ulg s SER 21 Ca 0.00 2.76 0.03 0.00 1.31 0.00 0.00 55.95 60.05 1ulg s SER 21 Cb 0.00 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1ulg s SER 21 CO 0.00 -1.22 -0.12 -0.69 0.41 0.00 0.00 173.24 171.63 1ulg s VAL 22 N -1.28 0.99 -0.15 3.43 1.01 -0.68 -1.86 120.40 121.86 1ulg s VAL 22 Ca 0.64 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1ulg s VAL 22 Cb -0.40 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.12 1ulg s VAL 22 CO 0.50 0.30 -0.18 0.00 0.00 0.00 0.00 175.10 175.72 1ulg s ALA 23 N 0.17 2.06 -0.38 5.51 0.00 0.19 0.25 121.76 129.55 1ulg s ALA 23 Ca -0.04 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 50.88 1ulg s ALA 23 Cb -0.10 -1.04 0.09 0.00 0.00 0.00 0.00 23.12 22.08 1ulg s ALA 23 CO 0.01 -0.24 0.16 0.00 0.00 0.00 0.00 175.76 175.69 1ulg s ALA 24 N 1.19 3.09 -0.20 0.00 0.00 0.16 -0.95 121.76 125.05 1ulg s ALA 24 Ca 0.00 -2.32 -0.17 0.00 0.00 0.00 0.00 51.96 49.47 1ulg s ALA 24 Cb -0.14 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 1ulg s ALA 24 CO -0.08 -1.66 0.46 0.42 0.00 0.00 0.00 175.76 174.90 1ulg s ILE 25 N 1.19 5.15 -0.06 0.00 1.01 0.53 -1.74 121.20 127.29 1ulg s ILE 25 Ca 0.05 0.84 0.02 0.00 0.00 0.00 0.00 60.65 61.55 1ulg s ILE 25 Cb -0.22 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.48 1ulg s ILE 25 CO -0.03 0.21 -0.10 -0.13 0.00 0.00 0.00 174.94 174.90 1ulg s ARG 26 N 1.49 1.42 0.35 2.79 0.52 0.94 -1.23 118.95 125.23 1ulg s ARG 26 Ca 0.22 -0.31 -0.01 0.00 -0.52 0.00 0.00 55.73 55.11 1ulg s ARG 26 Cb -0.15 -1.25 -0.04 0.00 0.52 0.00 0.00 34.95 34.04 1ulg s ARG 26 CO 0.09 -0.03 0.57 0.45 0.02 0.00 0.00 175.30 176.40 1ulg s SER 27 N 0.82 6.31 0.00 0.23 0.15 -0.59 -0.95 113.70 119.67 1ulg s SER 27 Ca -0.12 0.53 0.17 0.00 0.70 0.00 0.00 55.95 57.23 1ulg s SER 27 Cb -0.15 -2.07 0.14 0.00 -1.71 0.00 0.00 66.02 62.23 1ulg s SER 27 CO 0.02 -0.31 1.05 -1.54 1.20 0.00 0.00 173.24 173.66 1ulg n SER 28 N -1.71 2.45 0.00 5.45 3.41 -1.26 -4.22 113.62 117.74 1ulg n SER 28 Ca -0.04 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 1ulg n SER 28 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1ulg n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ulg n ALA 29 N 0.98 1.62 -2.66 7.33 0.00 -0.73 -4.72 120.51 122.32 1ulg n ALA 29 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.50 1ulg n ALA 29 Cb 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 1ulg n ALA 29 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ulg n PHE 30 N -1.39 -3.60 -3.37 0.00 7.35 -1.17 -4.66 117.46 110.62 1ulg n PHE 30 Ca 0.00 2.10 -0.45 0.00 -0.76 0.00 0.00 57.45 58.35 1ulg n PHE 30 Cb 0.00 -3.31 -0.07 0.00 0.35 0.00 0.00 39.48 36.45 1ulg n PHE 30 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1ulg s ASN 31 N -0.52 6.14 0.62 -2.13 0.01 0.15 -4.96 114.94 114.25 1ulg s ASN 31 Ca -0.21 -1.49 0.26 0.00 -0.71 0.00 0.00 52.86 50.72 1ulg s ASN 31 Cb 0.01 -2.18 1.28 0.00 0.41 0.00 0.00 41.25 40.77 1ulg s ASN 31 CO 0.57 -0.71 1.71 0.77 -1.51 0.00 0.00 177.10 177.92 1ulg h SER 32 N 8.78 0.00 -0.31 -1.22 4.64 -1.91 -1.41 113.55 122.12 1ulg h SER 32 Ca -0.29 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.91 1ulg h SER 32 Cb 1.11 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.12 1ulg h SER 32 CO 0.93 0.00 -0.06 0.29 -0.87 0.00 0.00 176.83 177.12 1ulg n LYS 33 N -3.34 2.09 -2.49 4.77 5.02 -1.26 -5.03 118.16 117.93 1ulg n LYS 33 Ca 0.08 -3.06 -0.32 0.00 -2.02 0.00 0.00 58.31 53.00 1ulg n LYS 33 Cb 0.81 -1.81 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 1ulg n LYS 33 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1ulg s GLY 34 N -2.40 2.01 0.00 0.72 0.00 -0.53 -5.04 107.32 102.08 1ulg s GLY 34 Ca 0.43 0.06 0.00 0.00 0.00 0.00 0.00 44.72 45.22 1ulg s GLY 34 CO 0.02 0.32 0.00 0.61 0.00 0.00 0.00 173.10 174.05 1ulg n GLY 35 N -1.57 0.71 3.63 0.20 0.00 0.50 -4.69 105.19 103.97 1ulg n GLY 35 Ca 0.05 -1.73 -0.50 0.00 0.00 0.00 0.00 46.02 43.84 1ulg n GLY 35 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ulg n THR 36 N 0.00 0.07 -4.34 2.61 -1.04 -1.26 -4.29 114.28 106.04 1ulg n THR 36 Ca 0.00 -0.01 -0.26 0.00 -2.04 0.00 0.00 64.05 61.74 1ulg n THR 36 Cb 0.00 -1.16 -0.17 0.00 -1.82 0.00 0.00 70.33 67.18 1ulg n THR 36 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1ulg s THR 37 N 1.18 1.14 0.12 12.58 2.01 -0.07 -4.43 115.64 128.16 1ulg s THR 37 Ca 0.85 -0.43 0.10 0.00 0.31 0.00 0.00 61.69 62.51 1ulg s THR 37 Cb -0.86 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 1ulg s THR 37 CO 0.46 0.37 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.84 1ulg s VAL 38 N 1.05 2.54 -0.06 3.82 1.01 -0.09 -1.01 120.40 127.66 1ulg s VAL 38 Ca -0.07 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.30 1ulg s VAL 38 Cb -0.15 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.12 1ulg s VAL 38 CO -0.01 0.12 -0.03 -0.36 0.00 0.00 0.00 175.10 174.82 1ulg s PHE 39 N -1.08 0.73 -0.13 5.22 0.40 -0.54 -1.62 117.98 120.96 1ulg s PHE 39 Ca 0.16 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.30 1ulg s PHE 39 Cb -0.10 -0.72 0.01 0.00 0.51 0.00 0.00 43.02 42.72 1ulg s PHE 39 CO 0.08 -0.25 -0.19 -0.80 0.70 0.00 0.00 175.22 174.76 1ulg s ASN 40 N 1.31 2.88 -0.37 1.36 0.01 -0.59 -0.50 114.94 119.04 1ulg s ASN 40 Ca -0.05 -0.54 -0.19 0.00 -0.71 0.00 0.00 52.86 51.36 1ulg s ASN 40 Cb -0.13 -1.32 0.00 0.00 0.41 0.00 0.00 41.25 40.21 1ulg s ASN 40 CO -0.02 0.05 0.58 -0.36 -1.51 0.00 0.00 177.10 175.83 1ulg s PHE 41 N 0.95 3.15 -0.15 2.20 0.40 0.15 -0.29 117.98 124.39 1ulg s PHE 41 Ca -0.05 0.20 -0.05 0.00 -0.60 0.00 0.00 56.93 56.43 1ulg s PHE 41 Cb -0.15 -3.07 -0.03 0.00 0.51 0.00 0.00 43.02 40.27 1ulg s PHE 41 CO -0.03 -0.63 0.01 -0.51 0.70 0.00 0.00 175.22 174.76 1ulg s LEU 42 N 2.58 3.56 0.00 -0.37 1.43 0.91 -1.65 118.68 125.14 1ulg s LEU 42 Ca 0.21 0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 53.18 1ulg s LEU 42 Cb -0.15 -1.87 0.23 0.00 0.03 0.00 0.00 46.19 44.43 1ulg s LEU 42 CO 0.15 0.22 0.84 -1.54 0.23 0.00 0.00 176.35 176.25 1ulg n SER 43 N 3.18 -1.76 -0.20 2.29 3.41 -0.12 0.27 113.62 120.69 1ulg n SER 43 Ca -0.17 -1.02 -0.10 0.00 -0.26 0.00 0.00 58.87 57.32 1ulg n SER 43 Cb 0.53 -0.76 0.02 0.00 -0.26 0.00 0.00 64.21 63.73 1ulg n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ulg h ALA 44 N -2.54 0.79 -0.09 7.33 0.00 -1.90 -2.61 119.26 120.25 1ulg h ALA 44 Ca -0.31 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1ulg h ALA 44 Cb 0.95 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ulg h ALA 44 CO 0.20 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.54 1ulg n GLY 45 N -0.34 0.68 2.20 0.00 0.00 -1.26 -4.85 105.19 101.62 1ulg n GLY 45 Ca 0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 1ulg n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ulg n GLU 46 N -0.05 -0.45 -2.59 1.61 1.02 -0.98 -4.80 120.64 114.41 1ulg n GLU 46 Ca 0.03 0.51 -0.40 0.00 -0.02 0.00 0.00 57.16 57.28 1ulg n GLU 46 Cb 0.24 -4.13 -0.05 0.00 -0.02 0.00 0.00 31.44 27.48 1ulg n GLU 46 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1ulg s ASN 47 N -2.62 7.41 -0.85 1.62 0.01 -1.26 -4.26 114.94 114.99 1ulg s ASN 47 Ca 0.00 2.10 -0.22 0.00 -0.71 0.00 0.00 52.86 54.03 1ulg s ASN 47 Cb 0.00 -2.62 0.07 0.00 0.41 0.00 0.00 41.25 39.12 1ulg s ASN 47 CO 0.00 -0.05 1.20 -0.63 -1.51 0.00 0.00 177.10 176.11 1ulg s ILE 48 N -0.94 4.22 0.11 0.60 1.01 0.00 -0.95 121.20 125.26 1ulg s ILE 48 Ca 0.44 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 60.29 1ulg s ILE 48 Cb -0.29 -4.86 -0.11 0.00 0.01 0.00 0.00 42.46 37.21 1ulg s ILE 48 CO 0.36 -1.68 1.37 -0.07 0.00 0.00 0.00 174.94 174.93 1ulg h LEU 49 N 11.78 0.95 -7.33 2.97 3.38 -1.56 -0.25 115.31 125.26 1ulg h LEU 49 Ca -0.03 -0.56 -0.32 0.00 0.09 0.00 0.00 57.88 57.06 1ulg h LEU 49 Cb 1.04 -0.28 -0.37 0.00 0.09 0.00 0.00 40.66 41.15 1ulg h LEU 49 CO 1.25 1.34 -0.69 -0.22 0.09 0.00 0.00 178.44 180.21 1ulg s LEU 50 N -8.63 0.23 -0.17 1.67 2.96 -1.18 -4.65 118.68 108.92 1ulg s LEU 50 Ca -0.11 0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 53.98 1ulg s LEU 50 Cb 0.09 0.06 -0.00 0.00 0.50 0.00 0.00 46.19 46.84 1ulg s LEU 50 CO 0.89 -0.22 -0.12 -2.28 -1.32 0.00 0.00 176.35 173.29 1ulg s HIS 51 N 1.99 2.83 -0.32 5.38 5.65 -0.03 -0.68 115.29 130.11 1ulg s HIS 51 Ca 0.01 -0.98 0.01 0.00 0.25 0.00 0.00 55.06 54.35 1ulg s HIS 51 Cb -0.12 -1.94 0.08 0.00 -1.18 0.00 0.00 32.58 29.42 1ulg s HIS 51 CO -0.04 -0.46 0.03 0.42 -0.65 0.00 0.00 174.74 174.03 1ulg s ILE 52 N 0.92 2.61 -0.59 0.89 1.01 0.35 -2.16 121.20 124.22 1ulg s ILE 52 Ca -0.03 -1.89 -0.11 0.00 0.00 0.00 0.00 60.65 58.63 1ulg s ILE 52 Cb -0.15 -2.70 0.15 0.00 0.01 0.00 0.00 42.46 39.77 1ulg s ILE 52 CO -0.01 -0.36 0.49 -0.55 0.00 0.00 0.00 174.94 174.52 1ulg s SER 53 N 1.21 5.99 -0.33 3.58 0.15 0.13 -1.47 113.70 122.96 1ulg s SER 53 Ca 0.02 -2.21 -0.25 0.00 0.70 0.00 0.00 55.95 54.21 1ulg s SER 53 Cb -0.20 -2.08 0.01 0.00 -1.71 0.00 0.00 66.02 62.04 1ulg s SER 53 CO -0.05 -0.66 0.89 -0.63 1.20 0.00 0.00 173.24 173.99 1ulg s ILE 54 N 0.93 4.67 -0.57 6.45 1.01 -0.18 -0.71 121.20 132.79 1ulg s ILE 54 Ca 0.10 1.28 0.04 0.00 0.00 0.00 0.00 60.65 62.06 1ulg s ILE 54 Cb -0.22 -4.27 0.14 0.00 0.01 0.00 0.00 42.46 38.12 1ulg s ILE 54 CO -0.02 -0.40 0.34 -0.13 0.00 0.00 0.00 174.94 174.72 1ulg s ARG 55 N 3.27 2.05 0.42 2.79 0.52 -0.73 -0.89 118.95 126.38 1ulg s ARG 55 Ca 0.37 -2.79 0.12 0.00 -0.52 0.00 0.00 55.73 52.90 1ulg s ARG 55 Cb -0.13 -3.22 0.97 0.00 0.52 0.00 0.00 34.95 33.09 1ulg s ARG 55 CO 0.15 -1.18 1.98 -1.00 0.02 0.00 0.00 175.30 175.27 1ulg h PRO 56 N 6.14 0.46 0.00 3.54 0.13 -1.83 -1.23 132.00 139.21 1ulg h PRO 56 Ca 0.01 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1ulg h PRO 56 Cb 0.85 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1ulg h PRO 56 CO 0.67 0.30 0.00 0.78 -0.23 0.00 0.00 178.00 179.53 1ulg h GLY 57 N 0.47 0.00 -0.35 1.56 0.00 -1.92 -2.38 103.07 100.45 1ulg h GLY 57 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1ulg h GLY 57 CO -0.08 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 174.25 1ulg n GLU 58 N -2.49 2.51 -4.20 4.80 2.13 -0.54 -5.00 120.64 117.85 1ulg n GLU 58 Ca 0.01 -1.53 -0.32 0.00 0.66 0.00 0.00 57.16 55.98 1ulg n GLU 58 Cb 0.22 -1.08 -0.05 0.00 0.27 0.00 0.00 31.44 30.80 1ulg n GLU 58 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1ulg n ASN 59 N -0.16 -0.88 -3.78 4.31 5.15 -0.75 -4.95 115.26 114.19 1ulg n ASN 59 Ca 0.03 -1.11 -0.09 0.00 -0.60 0.00 0.00 54.58 52.80 1ulg n ASN 59 Cb 0.27 -2.39 -0.06 0.00 -0.53 0.00 0.00 39.78 37.07 1ulg n ASN 59 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1ulg s VAL 60 N -3.83 0.12 -0.12 3.44 0.11 -1.12 -2.40 120.40 116.60 1ulg s VAL 60 Ca 0.29 -0.98 0.01 0.00 -2.93 0.00 0.00 61.98 58.37 1ulg s VAL 60 Cb -0.16 -1.28 0.02 0.00 -1.53 0.00 0.00 36.38 33.43 1ulg s VAL 60 CO 0.95 -0.54 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.40 1ulg s ILE 61 N -3.82 1.51 -0.14 7.04 1.01 0.26 -1.77 121.20 125.29 1ulg s ILE 61 Ca 0.04 -0.63 -0.05 0.00 0.00 0.00 0.00 60.65 60.02 1ulg s ILE 61 Cb 0.04 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 1ulg s ILE 61 CO -0.11 0.45 0.01 -0.69 0.00 0.00 0.00 174.94 174.60 1ulg s VAL 62 N 1.18 4.39 -0.02 2.92 1.01 0.11 -2.66 120.40 127.32 1ulg s VAL 62 Ca -0.02 -0.19 0.06 0.00 0.00 0.00 0.00 61.98 61.83 1ulg s VAL 62 Cb -0.14 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 1ulg s VAL 62 CO -0.05 0.52 -0.20 -0.36 0.00 0.00 0.00 175.10 175.01 1ulg s PHE 63 N -0.05 2.52 0.07 5.22 0.40 -0.23 0.22 117.98 126.12 1ulg s PHE 63 Ca 0.04 -0.30 -0.06 0.00 -0.60 0.00 0.00 56.93 56.01 1ulg s PHE 63 Cb -0.13 -1.54 0.02 0.00 0.51 0.00 0.00 43.02 41.88 1ulg s PHE 63 CO 0.02 0.10 0.30 -1.71 0.70 0.00 0.00 175.22 174.64 1ulg n ASN 64 N 2.22 -0.58 -3.54 1.36 2.85 -0.92 -1.65 115.26 115.00 1ulg n ASN 64 Ca -0.17 -1.34 -0.12 0.00 -0.11 0.00 0.00 54.58 52.85 1ulg n ASN 64 Cb 0.52 0.96 -0.04 0.00 1.24 0.00 0.00 39.78 42.46 1ulg n ASN 64 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1ulg s SER 65 N -1.73 -0.40 -0.28 1.20 0.01 -1.26 -0.85 113.70 110.38 1ulg s SER 65 Ca 0.07 -0.10 -0.26 0.00 1.31 0.00 0.00 55.95 56.97 1ulg s SER 65 Cb -0.01 0.53 0.16 0.00 0.21 0.00 0.00 66.02 66.91 1ulg s SER 65 CO 0.02 -0.87 1.25 0.00 0.41 0.00 0.00 173.24 174.05 1ulg s ARG 66 N -3.51 0.26 0.35 12.44 1.70 -0.11 -2.39 118.95 127.69 1ulg s ARG 66 Ca 0.01 0.25 -0.27 0.00 -0.47 0.00 0.00 55.73 55.25 1ulg s ARG 66 Cb 0.00 0.13 -0.09 0.00 -0.57 0.00 0.00 34.95 34.42 1ulg s ARG 66 CO -0.10 -0.04 1.11 -0.51 -1.08 0.00 0.00 175.30 174.68 1ulg s LEU 67 N -0.12 4.33 0.27 -1.89 1.43 -1.26 -0.82 118.68 120.62 1ulg s LEU 67 Ca 0.05 2.24 -0.06 0.00 -1.03 0.00 0.00 54.13 55.34 1ulg s LEU 67 Cb -0.04 -3.90 0.50 0.00 0.03 0.00 0.00 46.19 42.78 1ulg s LEU 67 CO -0.10 -0.41 1.49 1.17 0.23 0.00 0.00 176.35 178.73 1ulg n LYS 68 N 0.50 -0.08 -1.25 1.70 4.81 -1.26 0.72 118.16 123.29 1ulg n LYS 68 Ca 0.02 1.48 -0.26 0.00 -0.87 0.00 0.00 58.31 58.68 1ulg n LYS 68 Cb 0.46 -2.23 0.15 0.00 0.02 0.00 0.00 35.03 33.43 1ulg n LYS 68 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ulg n ASN 69 N -5.53 4.84 -3.07 3.14 3.02 -1.26 -4.95 115.26 111.45 1ulg n ASN 69 Ca 0.17 -3.67 -0.18 0.00 -0.03 0.00 0.00 54.58 50.87 1ulg n ASN 69 Cb 0.53 -0.86 -0.06 0.00 -0.61 0.00 0.00 39.78 38.78 1ulg n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ulg n GLY 70 N -1.08 3.33 3.88 7.41 0.00 0.22 -5.17 105.19 113.79 1ulg n GLY 70 Ca 0.59 -1.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.42 1ulg n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulg s ALA 71 N -2.93 3.78 0.62 4.61 0.00 -1.26 -4.55 121.76 122.03 1ulg s ALA 71 Ca 0.22 -1.42 -0.19 0.00 0.00 0.00 0.00 51.96 50.57 1ulg s ALA 71 Cb 0.01 -1.42 -0.02 0.00 0.00 0.00 0.00 23.12 21.69 1ulg s ALA 71 CO 0.15 0.18 1.28 -1.58 0.00 0.00 0.00 175.76 175.79 1ulg s TRP 72 N -2.13 2.18 0.23 0.00 0.52 -1.26 -4.55 118.94 113.92 1ulg s TRP 72 Ca 0.36 1.48 -0.01 0.00 0.02 0.00 0.00 56.10 57.96 1ulg s TRP 72 Cb -0.08 -3.65 0.05 0.00 -1.15 0.00 0.00 33.47 28.64 1ulg s TRP 72 CO 0.27 -2.73 0.31 0.41 0.02 0.00 0.00 176.95 175.23 1ulg n GLY 73 N 0.78 0.55 3.73 0.98 0.00 -1.01 -5.03 105.19 105.20 1ulg n GLY 73 Ca 0.15 -1.95 -0.33 0.00 0.00 0.00 0.00 46.02 43.89 1ulg n GLY 73 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ulg s PRO 74 N -3.27 2.03 0.09 1.61 0.04 -1.26 -4.86 135.00 129.38 1ulg s PRO 74 Ca 0.20 1.59 -0.15 0.00 0.04 0.00 0.00 61.00 62.68 1ulg s PRO 74 Cb -0.01 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 1ulg s PRO 74 CO 0.14 -1.88 0.50 -1.21 0.04 0.00 0.00 177.00 174.59 1ulg s GLU 75 N -4.20 3.99 -0.24 4.56 2.02 -1.26 -4.78 118.70 118.78 1ulg s GLU 75 Ca 0.70 0.49 -0.08 0.00 0.02 0.00 0.00 54.97 56.11 1ulg s GLU 75 Cb -0.25 -3.08 -0.03 0.00 0.10 0.00 0.00 34.13 30.86 1ulg s GLU 75 CO 0.48 0.58 0.09 -1.21 0.02 0.00 0.00 175.26 175.22 1ulg s GLU 76 N -1.54 3.74 0.01 1.61 0.41 -0.66 -4.97 118.70 117.31 1ulg s GLU 76 Ca 0.32 -0.44 0.05 0.00 -0.41 0.00 0.00 54.97 54.49 1ulg s GLU 76 Cb -0.16 -3.36 -0.02 0.00 -1.78 0.00 0.00 34.13 28.81 1ulg s GLU 76 CO 0.18 -0.13 -0.16 1.03 -0.49 0.00 0.00 175.26 175.69 1ulg s ARG 77 N 1.47 1.20 0.00 1.61 0.52 -1.26 -1.07 118.95 121.43 1ulg s ARG 77 Ca 0.06 -0.67 -0.11 0.00 -0.52 0.00 0.00 55.73 54.49 1ulg s ARG 77 Cb -0.15 -1.20 0.01 0.00 0.52 0.00 0.00 34.95 34.13 1ulg s ARG 77 CO 0.05 0.32 0.22 0.96 0.02 0.00 0.00 175.30 176.86 1ulg s ILE 78 N -0.55 0.08 0.41 1.52 -5.25 -1.09 -4.98 121.20 111.34 1ulg s ILE 78 Ca 0.05 -0.63 -0.24 0.00 -0.99 0.00 0.00 60.65 58.84 1ulg s ILE 78 Cb -0.07 -0.57 -0.11 0.00 2.95 0.00 0.00 42.46 44.67 1ulg s ILE 78 CO 0.00 -0.34 0.98 -2.65 -1.79 0.00 0.00 174.94 171.14 1ulg n PRO 79 N 1.28 1.29 -0.09 0.37 -0.02 -1.26 -0.57 135.00 136.00 1ulg n PRO 79 Ca -0.22 0.46 -0.17 0.00 -2.02 0.00 0.00 63.50 61.55 1ulg n PRO 79 Cb 0.56 -1.99 -0.12 0.00 -0.02 0.00 0.00 33.50 31.93 1ulg n PRO 79 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1ulg h TYR 80 N 1.52 0.00 -1.49 6.00 3.20 -1.73 -3.42 116.97 121.05 1ulg h TYR 80 Ca -0.44 0.00 -0.66 0.00 3.14 0.00 0.00 58.73 60.78 1ulg h TYR 80 Cb 1.34 0.00 0.10 0.00 1.54 0.00 0.00 36.73 39.72 1ulg h TYR 80 CO 0.43 1.18 -0.24 0.00 -1.64 0.00 0.00 178.16 177.90 1ulg n ALA 81 N -2.99 -2.01 -3.62 1.82 0.00 -1.26 -2.66 120.51 109.78 1ulg n ALA 81 Ca -0.20 0.44 -0.24 0.00 0.00 0.00 0.00 53.44 53.44 1ulg n ALA 81 Cb 0.56 -1.77 0.07 0.00 0.00 0.00 0.00 19.45 18.31 1ulg n ALA 81 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ulg n GLU 82 N 1.01 -7.26 -0.03 0.00 1.02 -1.26 -4.90 120.64 109.22 1ulg n GLU 82 Ca 0.16 0.79 -0.03 0.00 -0.02 0.00 0.00 57.16 58.05 1ulg n GLU 82 Cb 0.26 -5.79 -0.04 0.00 -0.02 0.00 0.00 31.44 25.84 1ulg n GLU 82 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ulg n LYS 83 N -4.78 2.71 -4.32 3.49 4.76 -1.09 -4.51 118.16 114.43 1ulg n LYS 83 Ca -0.05 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.08 1ulg n LYS 83 Cb 0.58 -1.15 -0.10 0.00 -1.84 0.00 0.00 35.03 32.53 1ulg n LYS 83 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ulg s PHE 84 N -2.14 2.91 -0.31 2.13 0.40 -1.26 -1.13 117.98 118.58 1ulg s PHE 84 Ca -0.04 -0.04 -0.06 0.00 -0.60 0.00 0.00 56.93 56.20 1ulg s PHE 84 Cb 0.02 -1.57 0.03 0.00 0.51 0.00 0.00 43.02 42.01 1ulg s PHE 84 CO 0.23 0.42 0.07 0.50 0.70 0.00 0.00 175.22 177.13 1ulg s ARG 85 N -1.78 2.80 0.61 0.44 3.52 -1.26 -4.94 118.95 118.34 1ulg s ARG 85 Ca 0.20 -1.05 -0.13 0.00 -0.13 0.00 0.00 55.73 54.63 1ulg s ARG 85 Cb -0.11 -3.34 -0.04 0.00 -1.56 0.00 0.00 34.95 29.90 1ulg s ARG 85 CO 0.11 -0.55 1.03 -1.25 -0.81 0.00 0.00 175.30 173.84 1ulg s PRO 86 N 1.41 3.48 0.00 5.12 0.04 -1.26 -1.26 135.00 142.54 1ulg s PRO 86 Ca -0.00 0.91 0.27 0.00 0.04 0.00 0.00 61.00 62.22 1ulg s PRO 86 Cb -0.18 -2.06 0.92 0.00 0.04 0.00 0.00 34.50 33.21 1ulg s PRO 86 CO 0.01 -0.66 1.66 -0.35 0.04 0.00 0.00 177.00 177.70 1ulg n PRO 87 N -2.47 1.48 -3.31 0.56 -0.04 -1.26 -4.85 135.00 125.11 1ulg n PRO 87 Ca 0.07 -0.90 -0.26 0.00 -0.04 0.00 0.00 63.50 62.37 1ulg n PRO 87 Cb 0.54 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.44 1ulg n PRO 87 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ulg n ASN 88 N 0.02 3.11 -4.72 3.54 5.03 -1.20 -1.77 115.26 119.27 1ulg n ASN 88 Ca 0.17 -3.33 -0.33 0.00 0.87 0.00 0.00 54.58 51.97 1ulg n ASN 88 Cb 0.37 -0.65 0.11 0.00 -1.02 0.00 0.00 39.78 38.59 1ulg n ASN 88 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1ulg s PRO 89 N -2.37 1.93 0.13 3.52 0.04 -0.39 -4.67 135.00 133.20 1ulg s PRO 89 Ca 0.40 1.55 -0.02 0.00 0.04 0.00 0.00 61.00 62.98 1ulg s PRO 89 Cb 0.18 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.85 1ulg s PRO 89 CO -0.05 -1.95 0.08 -1.54 0.04 0.00 0.00 177.00 173.58 1ulg s SER 90 N -2.51 0.28 -0.09 6.66 1.04 -1.26 -1.54 113.70 116.27 1ulg s SER 90 Ca 0.69 -1.18 -0.04 0.00 0.48 0.00 0.00 55.95 55.90 1ulg s SER 90 Cb -0.24 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.23 1ulg s SER 90 CO 0.50 -0.74 0.21 -0.63 0.98 0.00 0.00 173.24 173.56 1ulg s ILE 91 N -4.04 -0.12 -0.08 -1.02 1.01 -0.37 -3.87 121.20 112.71 1ulg s ILE 91 Ca 0.24 0.20 0.04 0.00 0.00 0.00 0.00 60.65 61.13 1ulg s ILE 91 Cb 0.07 -0.34 -0.01 0.00 0.01 0.00 0.00 42.46 42.19 1ulg s ILE 91 CO 0.02 0.08 -0.22 -0.89 0.00 0.00 0.00 174.94 173.93 1ulg s THR 92 N 1.52 2.32 -0.07 2.92 2.01 0.67 -0.34 115.64 124.67 1ulg s THR 92 Ca -0.06 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.01 1ulg s THR 92 Cb -0.11 -1.88 0.01 0.00 0.01 0.00 0.00 72.50 70.52 1ulg s THR 92 CO -0.07 0.56 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.57 1ulg s VAL 93 N -0.05 1.41 -0.06 3.82 1.01 -0.12 -0.40 120.40 126.01 1ulg s VAL 93 Ca -0.06 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1ulg s VAL 93 Cb -0.15 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.00 1ulg s VAL 93 CO 0.05 0.41 -0.12 -0.63 0.00 0.00 0.00 175.10 174.81 1ulg s ILE 94 N 0.45 1.13 -0.49 2.22 1.01 -0.21 -0.64 121.20 124.67 1ulg s ILE 94 Ca -0.13 -0.49 -0.24 0.00 0.00 0.00 0.00 60.65 59.79 1ulg s ILE 94 Cb -0.15 -1.02 0.03 0.00 0.01 0.00 0.00 42.46 41.33 1ulg s ILE 94 CO 0.05 0.35 0.86 -0.62 0.00 0.00 0.00 174.94 175.57 1ulg s ASP 95 N 0.53 6.40 -0.30 3.58 -1.08 -0.78 -0.87 116.67 124.14 1ulg s ASP 95 Ca -0.12 -0.18 0.08 0.00 -0.52 0.00 0.00 52.55 51.81 1ulg s ASP 95 Cb -0.14 -2.41 0.66 0.00 -1.46 0.00 0.00 42.92 39.57 1ulg s ASP 95 CO 0.03 -1.05 1.71 1.41 0.52 0.00 0.00 175.17 177.80 1ulg n HIS 96 N 7.03 2.29 0.00 -5.34 8.25 0.14 -0.27 115.22 127.32 1ulg n HIS 96 Ca 0.03 -1.16 0.00 0.00 -0.26 0.00 0.00 57.72 56.32 1ulg n HIS 96 Cb 0.48 -0.67 0.00 0.00 1.12 0.00 0.00 29.99 30.92 1ulg n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ulg n GLY 97 N -0.19 2.02 0.01 -1.41 0.00 -1.26 -4.30 105.19 100.05 1ulg n GLY 97 Ca 0.39 -0.37 0.10 0.00 0.00 0.00 0.00 46.02 46.14 1ulg n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ulg n ASP 98 N 3.93 0.46 -3.74 1.61 5.75 -1.26 -4.95 116.55 118.35 1ulg n ASP 98 Ca 0.00 -0.43 -0.10 0.00 -0.01 0.00 0.00 54.79 54.25 1ulg n ASP 98 Cb 0.00 1.56 -0.05 0.00 -1.03 0.00 0.00 41.12 41.60 1ulg n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ulg s ARG 99 N -3.27 1.06 -0.06 0.11 1.70 -1.26 -0.85 118.95 116.37 1ulg s ARG 99 Ca -0.01 -0.84 -0.04 0.00 -0.47 0.00 0.00 55.73 54.37 1ulg s ARG 99 Cb 0.15 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.92 1ulg s ARG 99 CO 0.88 -0.40 0.13 -0.06 -1.08 0.00 0.00 175.30 174.77 1ulg s PHE 100 N -3.84 3.49 -0.17 5.89 0.40 -0.39 -0.69 117.98 122.68 1ulg s PHE 100 Ca 0.06 0.39 -0.03 0.00 -0.60 0.00 0.00 56.93 56.75 1ulg s PHE 100 Cb 0.02 -1.86 -0.02 0.00 0.51 0.00 0.00 43.02 41.68 1ulg s PHE 100 CO -0.09 0.65 -0.06 -1.14 0.70 0.00 0.00 175.22 175.28 1ulg s GLN 101 N -1.43 3.52 -0.16 0.44 0.74 -0.05 -0.60 119.66 122.12 1ulg s GLN 101 Ca 0.20 -0.59 0.01 0.00 0.05 0.00 0.00 55.36 55.03 1ulg s GLN 101 Cb -0.12 -2.87 0.01 0.00 1.10 0.00 0.00 33.01 31.13 1ulg s GLN 101 CO 0.10 0.12 -0.19 0.42 -0.55 0.00 0.00 175.29 175.19 1ulg s ILE 102 N 0.65 2.23 -0.05 -2.34 1.09 0.26 -1.05 121.20 122.00 1ulg s ILE 102 Ca -0.04 -0.90 0.06 0.00 -1.10 0.00 0.00 60.65 58.67 1ulg s ILE 102 Cb -0.15 -1.92 -0.02 0.00 -1.06 0.00 0.00 42.46 39.31 1ulg s ILE 102 CO 0.02 0.53 -0.23 -0.13 -0.10 0.00 0.00 174.94 175.04 1ulg s ARG 103 N 1.03 2.42 0.00 2.79 0.52 0.46 -0.32 118.95 125.86 1ulg s ARG 103 Ca -0.01 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.32 1ulg s ARG 103 Cb -0.14 -2.17 0.00 0.00 0.52 0.00 0.00 34.95 33.15 1ulg s ARG 103 CO -0.06 0.48 0.00 1.19 0.02 0.00 0.00 175.30 176.93 1ulg n PHE 104 N 2.69 0.00 0.09 -0.53 3.01 -1.26 -0.24 117.46 121.21 1ulg n PHE 104 Ca -0.17 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.12 1ulg n PHE 104 Cb 0.52 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.84 1ulg n PHE 104 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1ulg h ASP 105 N 0.00 0.45 -1.42 4.37 3.32 -1.24 -3.46 116.42 118.44 1ulg h ASP 105 Ca 0.00 -0.52 -0.64 0.00 0.02 0.00 0.00 57.03 55.88 1ulg h ASP 105 Cb 0.00 -0.14 -0.13 0.00 0.22 0.00 0.00 39.33 39.27 1ulg h ASP 105 CO 0.00 1.42 -0.50 -0.31 -1.72 0.00 0.00 179.24 178.13 1ulg s TYR 106 N -2.64 1.78 0.06 4.55 1.51 -0.98 -4.97 117.35 116.67 1ulg s TYR 106 Ca -0.06 -1.14 0.00 0.00 -1.01 0.00 0.00 57.07 54.86 1ulg s TYR 106 Cb 0.07 -1.40 0.00 0.00 -0.11 0.00 0.00 41.96 40.51 1ulg s TYR 106 CO 0.88 -0.03 0.00 0.41 -1.11 0.00 0.00 175.55 175.70 1ulg n GLY 107 N -1.16 -1.77 3.89 0.71 0.00 -1.26 -4.84 105.19 100.76 1ulg n GLY 107 Ca -0.15 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 1ulg n GLY 107 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ulg s THR 108 N -0.60 4.81 0.79 2.61 -1.32 -1.26 -4.94 115.64 115.73 1ulg s THR 108 Ca 0.00 0.54 -0.11 0.00 -1.21 0.00 0.00 61.69 60.90 1ulg s THR 108 Cb 0.00 -3.84 0.06 0.00 -1.51 0.00 0.00 72.50 67.21 1ulg s THR 108 CO 0.00 -0.89 1.10 -0.44 -2.21 0.00 0.00 174.62 172.17 1ulg s SER 109 N -3.94 4.59 -0.09 8.08 0.01 -1.26 -4.82 113.70 116.27 1ulg s SER 109 Ca 0.51 1.27 0.03 0.00 1.31 0.00 0.00 55.95 59.07 1ulg s SER 109 Cb -0.10 -2.01 -0.01 0.00 0.21 0.00 0.00 66.02 64.10 1ulg s SER 109 CO 0.45 -1.90 -0.19 -0.63 0.41 0.00 0.00 173.24 171.39 1ulg s ILE 110 N -3.19 2.60 -0.12 1.44 1.09 0.57 -4.92 121.20 118.67 1ulg s ILE 110 Ca 0.60 -0.85 -0.00 0.00 -1.10 0.00 0.00 60.65 59.30 1ulg s ILE 110 Cb -0.14 -2.02 -0.02 0.00 -1.06 0.00 0.00 42.46 39.22 1ulg s ILE 110 CO 0.54 0.56 -0.10 -0.31 -0.10 0.00 0.00 174.94 175.52 1ulg s TYR 111 N -0.02 2.86 -0.25 3.97 1.51 -1.26 0.92 117.35 125.09 1ulg s TYR 111 Ca -0.06 -0.42 -0.01 0.00 -1.01 0.00 0.00 57.07 55.58 1ulg s TYR 111 Cb -0.15 -1.83 0.07 0.00 -0.11 0.00 0.00 41.96 39.95 1ulg s TYR 111 CO 0.05 -0.05 0.02 -0.47 -1.11 0.00 0.00 175.55 173.98 1ulg s TYR 112 N 0.07 1.88 0.01 2.71 5.04 0.23 -4.96 117.35 122.32 1ulg s TYR 112 Ca -0.04 -1.54 -0.30 0.00 -2.44 0.00 0.00 57.07 52.75 1ulg s TYR 112 Cb -0.14 -1.52 -0.08 0.00 0.35 0.00 0.00 41.96 40.57 1ulg s TYR 112 CO 0.04 -0.76 1.94 -0.80 -1.34 0.00 0.00 175.55 174.63 1ulg s ASN 113 N 1.57 6.41 0.40 4.32 -0.87 -1.26 -1.26 114.94 124.24 1ulg s ASN 113 Ca 0.00 2.55 -0.24 0.00 -1.57 0.00 0.00 52.86 53.61 1ulg s ASN 113 Cb -0.18 -2.53 -0.12 0.00 -0.02 0.00 0.00 41.25 38.40 1ulg s ASN 113 CO -0.11 -1.10 0.72 0.29 -2.57 0.00 0.00 177.10 174.32 1ulg n LYS 114 N 7.58 0.83 -0.00 -0.60 5.02 -0.03 -4.91 118.16 126.05 1ulg n LYS 114 Ca 0.20 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1ulg n LYS 114 Cb 0.42 -1.67 -0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1ulg n LYS 114 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ulg n ARG 115 N 0.46 0.40 -4.92 1.97 1.74 -1.26 -4.96 116.66 110.09 1ulg n ARG 115 Ca 0.11 -0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.86 1ulg n ARG 115 Cb 0.38 -1.01 -0.16 0.00 -1.02 0.00 0.00 32.46 30.64 1ulg n ARG 115 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ulg s ILE 116 N -2.04 2.26 -1.23 0.55 1.01 -1.26 -5.05 121.20 115.44 1ulg s ILE 116 Ca -0.00 -0.93 -0.15 0.00 0.00 0.00 0.00 60.65 59.57 1ulg s ILE 116 Cb 0.00 -1.90 0.15 0.00 0.01 0.00 0.00 42.46 40.72 1ulg s ILE 116 CO 0.03 0.55 1.50 -1.59 0.00 0.00 0.00 174.94 175.43 1ulg s LYS 117 N 0.54 4.06 0.11 2.79 -2.85 -1.26 -4.90 119.74 118.24 1ulg s LYS 117 Ca -0.13 -2.43 -0.16 0.00 -1.00 0.00 0.00 55.97 52.25 1ulg s LYS 117 Cb -0.17 -5.17 0.04 0.00 -2.06 0.00 0.00 37.83 30.46 1ulg s LYS 117 CO 0.04 -1.88 0.40 -1.21 0.10 0.00 0.00 175.35 172.80 1ulg s GLU 118 N 2.22 1.05 0.46 1.78 2.02 -1.26 -5.18 118.70 119.79 1ulg s GLU 118 Ca 0.45 -0.67 0.04 0.00 0.02 0.00 0.00 54.97 54.82 1ulg s GLU 118 Cb -0.01 0.46 0.01 0.00 0.10 0.00 0.00 34.13 34.69 1ulg s GLU 118 CO 0.02 -0.40 0.64 -0.80 0.02 0.00 0.00 175.26 174.74 1ulg s ASN 119 N -2.70 5.61 -0.11 -0.19 0.01 -1.26 -5.02 114.94 111.27 1ulg s ASN 119 Ca 0.02 -0.11 -0.16 0.00 -0.71 0.00 0.00 52.86 51.89 1ulg s ASN 119 Cb 0.02 -0.99 -0.05 0.00 0.41 0.00 0.00 41.25 40.64 1ulg s ASN 119 CO -0.11 -0.83 0.41 0.00 -1.51 0.00 0.00 177.10 175.07 1ulg s ALA 120 N -2.50 3.54 -1.39 0.60 0.00 -0.73 -4.17 121.76 117.10 1ulg s ALA 120 Ca 0.53 -0.28 0.17 0.00 0.00 0.00 0.00 51.96 52.39 1ulg s ALA 120 Cb -0.10 -2.53 -0.05 0.00 0.00 0.00 0.00 23.12 20.44 1ulg s ALA 120 CO 0.35 0.10 0.86 0.00 0.00 0.00 0.00 175.76 177.07 1ulg n ALA 121 N 3.38 3.51 -3.60 0.00 0.00 0.14 0.13 120.51 124.07 1ulg n ALA 121 Ca -0.10 -0.54 -0.06 0.00 0.00 0.00 0.00 53.44 52.75 1ulg n ALA 121 Cb 0.52 -0.62 -0.02 0.00 0.00 0.00 0.00 19.45 19.34 1ulg n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ulg s ALA 122 N -2.18 -1.81 -0.06 0.00 0.00 -0.78 -2.00 121.76 114.93 1ulg s ALA 122 Ca 0.12 0.74 0.02 0.00 0.00 0.00 0.00 51.96 52.85 1ulg s ALA 122 Cb 0.14 0.45 0.01 0.00 0.00 0.00 0.00 23.12 23.72 1ulg s ALA 122 CO 0.51 -0.82 -0.11 0.42 0.00 0.00 0.00 175.76 175.75 1ulg s ILE 123 N -3.08 1.04 0.19 0.00 1.01 -0.99 -0.07 121.20 119.30 1ulg s ILE 123 Ca 0.08 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 60.37 1ulg s ILE 123 Cb -0.01 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 1ulg s ILE 123 CO -0.05 0.33 0.09 0.00 0.00 0.00 0.00 174.94 175.31 1ulg s ALA 124 N 0.63 3.42 -0.08 9.38 0.00 0.60 -1.97 121.76 133.74 1ulg s ALA 124 Ca -0.13 -1.33 -0.01 0.00 0.00 0.00 0.00 51.96 50.49 1ulg s ALA 124 Cb -0.15 -1.19 0.03 0.00 0.00 0.00 0.00 23.12 21.81 1ulg s ALA 124 CO 0.03 0.44 -0.01 -0.47 0.00 0.00 0.00 175.76 175.74 1ulg s TYR 125 N -1.85 0.83 -0.02 0.00 5.04 -0.76 -1.55 117.35 119.04 1ulg s TYR 125 Ca 0.30 -0.28 0.03 0.00 -2.44 0.00 0.00 57.07 54.68 1ulg s TYR 125 Cb -0.09 -0.89 0.00 0.00 0.35 0.00 0.00 41.96 41.33 1ulg s TYR 125 CO 0.22 -0.36 -0.10 -0.80 -1.34 0.00 0.00 175.55 173.16 1ulg s ASN 126 N 1.91 1.34 -0.30 4.32 0.01 -0.64 0.17 114.94 121.76 1ulg s ASN 126 Ca 0.05 -0.21 -0.18 0.00 -0.71 0.00 0.00 52.86 51.80 1ulg s ASN 126 Cb -0.12 -0.32 0.21 0.00 0.41 0.00 0.00 41.25 41.42 1ulg s ASN 126 CO -0.06 0.09 1.31 0.00 -1.51 0.00 0.00 177.10 176.93 1ulg s ALA 127 N 0.09 -2.55 0.09 0.60 0.00 -1.26 -0.91 121.76 117.82 1ulg s ALA 127 Ca -0.02 1.90 0.06 0.00 0.00 0.00 0.00 51.96 53.90 1ulg s ALA 127 Cb -0.08 -1.93 -0.22 0.00 0.00 0.00 0.00 23.12 20.88 1ulg s ALA 127 CO 0.00 -0.26 1.18 0.93 0.00 0.00 0.00 175.76 177.62 1ulg h GLU 128 N 4.59 0.04 -1.73 0.00 5.08 -1.96 -3.40 114.58 117.21 1ulg h GLU 128 Ca -0.27 -0.07 -0.44 0.00 -1.00 0.00 0.00 59.36 57.58 1ulg h GLU 128 Cb 1.17 0.03 -0.30 0.00 0.50 0.00 0.00 28.75 30.14 1ulg h GLU 128 CO 0.22 0.98 -0.83 -1.71 -1.00 0.00 0.00 179.01 176.66 1ulg n ASN 129 N -3.34 -1.37 -4.77 1.42 5.15 -1.26 -5.05 115.26 106.04 1ulg n ASN 129 Ca -0.04 -2.66 -0.39 0.00 -0.60 0.00 0.00 54.58 50.90 1ulg n ASN 129 Cb 0.97 0.25 -0.02 0.00 -0.53 0.00 0.00 39.78 40.45 1ulg n ASN 129 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1ulg s SER 130 N -0.12 6.54 0.39 1.20 0.15 -1.26 0.19 113.70 120.79 1ulg s SER 130 Ca 0.32 2.45 0.19 0.00 0.70 0.00 0.00 55.95 59.62 1ulg s SER 130 Cb 0.07 -2.62 0.78 0.00 -1.71 0.00 0.00 66.02 62.53 1ulg s SER 130 CO -0.15 -0.67 1.78 -0.07 1.20 0.00 0.00 173.24 175.33 1ulg h LEU 131 N 2.80 0.00 0.00 3.45 4.07 -1.81 -3.42 115.31 120.40 1ulg h LEU 131 Ca -0.49 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.15 1ulg h LEU 131 Cb 1.24 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.94 1ulg h LEU 131 CO 0.63 0.34 -0.16 0.49 -1.08 0.00 0.00 178.44 178.66 1ulg n PHE 132 N -3.60 -0.83 -2.71 1.13 0.99 -1.26 0.34 117.46 111.52 1ulg n PHE 132 Ca -0.01 -1.31 -0.25 0.00 -0.00 0.00 0.00 57.45 55.89 1ulg n PHE 132 Cb 0.47 -0.24 0.02 0.00 -1.00 0.00 0.00 39.48 38.72 1ulg n PHE 132 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1ulg s SER 133 N -2.77 5.85 -0.21 4.37 1.04 -1.26 -4.82 113.70 115.90 1ulg s SER 133 Ca 0.16 0.59 0.01 0.00 0.48 0.00 0.00 55.95 57.18 1ulg s SER 133 Cb -0.01 -1.77 0.05 0.00 0.10 0.00 0.00 66.02 64.38 1ulg s SER 133 CO 0.10 -0.80 -0.09 -0.55 0.98 0.00 0.00 173.24 172.88 1ulg s SER 134 N -4.22 3.57 0.64 7.02 0.15 -1.26 -3.50 113.70 116.09 1ulg s SER 134 Ca 0.50 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1ulg s SER 134 Cb -0.10 -1.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.98 1ulg s SER 134 CO 0.42 -0.17 0.00 -0.81 1.20 0.00 0.00 173.24 173.88 1ulg n PRO 135 N 4.67 0.40 -4.54 5.44 -0.04 -1.26 -4.93 135.00 134.74 1ulg n PRO 135 Ca -0.14 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.02 1ulg n PRO 135 Cb 0.46 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.79 1ulg n PRO 135 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ulg s VAL 136 N -0.29 2.82 0.13 0.52 -7.23 -0.28 -4.75 120.40 111.32 1ulg s VAL 136 Ca 0.00 -1.28 -0.30 0.00 -1.81 0.00 0.00 61.98 58.59 1ulg s VAL 136 Cb 0.00 -2.22 -0.06 0.00 0.56 0.00 0.00 36.38 34.66 1ulg s VAL 136 CO 0.00 0.26 1.01 -0.89 -0.31 0.00 0.00 175.10 175.17 1ulg s THR 137 N -1.00 4.29 -0.16 5.32 2.01 -0.12 -2.52 115.64 123.46 1ulg s THR 137 Ca 0.16 1.92 -0.02 0.00 0.31 0.00 0.00 61.69 64.06 1ulg s THR 137 Cb -0.11 -4.23 0.05 0.00 0.01 0.00 0.00 72.50 68.23 1ulg s THR 137 CO 0.07 0.31 0.00 -0.69 -0.69 0.00 0.00 174.62 173.62 1ulg s VAL 138 N -0.08 0.64 -0.28 3.82 1.01 -0.73 -0.04 120.40 124.74 1ulg s VAL 138 Ca 0.48 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.95 1ulg s VAL 138 Cb -0.25 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1ulg s VAL 138 CO 0.31 -0.01 0.13 -1.81 0.00 0.00 0.00 175.10 173.72 1ulg s ASP 139 N 1.83 5.48 -0.19 3.32 1.11 -0.71 -1.08 116.67 126.43 1ulg s ASP 139 Ca 0.01 -0.32 -0.07 0.00 0.18 0.00 0.00 52.55 52.35 1ulg s ASP 139 Cb -0.15 -1.99 -0.04 0.00 1.07 0.00 0.00 42.92 41.80 1ulg s ASP 139 CO -0.07 -0.11 0.05 -0.69 1.18 0.00 0.00 175.17 175.52 1ulg s VAL 140 N 1.64 4.58 0.13 -1.27 1.01 0.15 -0.67 120.40 125.97 1ulg s VAL 140 Ca 0.06 -0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.02 1ulg s VAL 140 Cb -0.16 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1ulg s VAL 140 CO 0.06 0.44 -0.17 -1.00 0.00 0.00 0.00 175.10 174.43 1ulg s HIS 141 N 0.58 2.55 -0.86 5.22 3.76 0.14 0.33 115.29 127.01 1ulg s HIS 141 Ca 0.02 -0.26 0.27 0.00 -0.15 0.00 0.00 55.06 54.94 1ulg s HIS 141 Cb -0.13 -1.34 0.86 0.00 1.11 0.00 0.00 32.58 33.08 1ulg s HIS 141 CO 0.01 0.41 1.71 0.41 -0.85 0.00 0.00 174.74 176.43 1ulg n GLY 142 N 0.69 -1.52 3.58 -2.22 0.00 -1.26 -1.69 105.19 102.76 1ulg n GLY 142 Ca -0.15 -0.14 -0.05 0.00 0.00 0.00 0.00 46.02 45.69 1ulg n GLY 142 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ulg s LEU 143 N -3.67 -0.18 -0.07 0.99 2.34 -1.23 -3.89 118.68 112.96 1ulg s LEU 143 Ca 0.11 0.01 -0.38 0.00 0.06 0.00 0.00 54.13 53.94 1ulg s LEU 143 Cb 0.16 1.50 -0.15 0.00 -0.56 0.00 0.00 46.19 47.14 1ulg s LEU 143 CO 0.61 -0.30 1.59 0.18 -1.06 0.00 0.00 176.35 177.37 1ulg n LEU 144 N -0.09 2.30 -4.84 1.48 4.77 -1.25 -4.82 117.00 114.54 1ulg n LEU 144 Ca -0.01 1.08 -0.30 0.00 -0.03 0.00 0.00 56.01 56.75 1ulg n LEU 144 Cb 0.59 -1.21 0.07 0.00 -2.33 0.00 0.00 43.42 40.54 1ulg n LEU 144 CO 0.09 -0.61 0.73 -2.16 -1.33 0.00 0.00 177.39 174.12 1ulg s PRO 145 N 2.19 2.41 0.12 3.23 0.04 -1.26 -4.95 135.00 136.78 1ulg s PRO 145 Ca 0.91 0.53 -0.35 0.00 0.04 0.00 0.00 61.00 62.13 1ulg s PRO 145 Cb -0.94 -1.96 -0.15 0.00 0.04 0.00 0.00 34.50 31.48 1ulg s PRO 145 CO 0.54 -1.37 1.50 -2.30 0.04 0.00 0.00 177.00 175.41 1ulg n PRO 146 N -3.25 1.76 -3.25 0.56 -0.02 -1.26 -4.92 135.00 124.62 1ulg n PRO 146 Ca 0.07 0.64 -0.38 0.00 -2.02 0.00 0.00 63.50 61.80 1ulg n PRO 146 Cb 0.57 -2.36 -0.06 0.00 -0.02 0.00 0.00 33.50 31.63 1ulg n PRO 146 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ulg s LEU 147 N 0.85 4.52 0.60 2.45 1.43 -1.26 -5.07 118.68 122.19 1ulg s LEU 147 Ca 0.81 1.29 -0.13 0.00 -1.03 0.00 0.00 54.13 55.07 1ulg s LEU 147 Cb -0.79 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 1ulg s LEU 147 CO 0.42 0.25 1.02 -2.16 0.23 0.00 0.00 176.35 176.12 1ulg s PRO 148 N -1.19 3.56 0.62 1.29 0.04 -1.26 -4.94 135.00 133.13 1ulg s PRO 148 Ca 0.30 0.88 0.39 0.00 0.04 0.00 0.00 61.00 62.61 1ulg s PRO 148 Cb -0.19 -2.08 2.08 0.00 0.04 0.00 0.00 34.50 34.35 1ulg s PRO 148 CO 0.20 -0.60 2.27 -1.35 0.04 0.00 0.00 177.00 177.56 1ulg h PRO 149 N 0.03 0.00 0.00 0.56 0.11 -2.06 -3.56 132.00 127.08 1ulg h PRO 149 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ulg h PRO 149 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ulg h PRO 149 CO 0.61 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.41