#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 4.13 0.10 -0.89 2.96 -1.26 -0.63 118.68 123.09 1ulg s LEU 2 Ca 0.00 0.16 0.07 0.00 -0.22 0.00 0.00 54.13 54.15 1ulg s LEU 2 Cb 0.00 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1ulg s LEU 2 CO 0.00 0.13 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.66 1ulg s TYR 3 N 0.67 1.62 -0.48 5.38 1.51 0.17 -4.98 117.35 121.24 1ulg s TYR 3 Ca 0.07 -0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 55.67 1ulg s TYR 3 Cb -0.12 -0.88 0.13 0.00 -0.11 0.00 0.00 41.96 40.97 1ulg s TYR 3 CO 0.01 0.17 0.27 -1.01 -1.11 0.00 0.00 175.55 173.88 1ulg s HIS 4 N -1.31 3.52 -0.40 2.71 3.76 -1.26 -0.29 115.29 122.01 1ulg s HIS 4 Ca 0.05 -2.61 -0.28 0.00 -0.15 0.00 0.00 55.06 52.07 1ulg s HIS 4 Cb -0.09 -3.17 0.02 0.00 1.11 0.00 0.00 32.58 30.45 1ulg s HIS 4 CO 0.04 -0.92 1.06 -1.17 -0.85 0.00 0.00 174.74 172.90 1ulg s LEU 5 N 0.66 3.83 0.16 0.89 2.96 -0.84 -4.85 118.68 121.50 1ulg s LEU 5 Ca 0.12 0.67 -0.16 0.00 -0.22 0.00 0.00 54.13 54.54 1ulg s LEU 5 Cb -0.22 -3.47 -0.07 0.00 0.50 0.00 0.00 46.19 42.93 1ulg s LEU 5 CO -0.04 -1.04 0.59 -0.36 -1.32 0.00 0.00 176.35 174.18 1ulg s PHE 6 N 3.95 3.62 0.38 5.38 0.40 -1.26 -1.22 117.98 129.23 1ulg s PHE 6 Ca 0.44 1.13 -0.27 0.00 -0.60 0.00 0.00 56.93 57.64 1ulg s PHE 6 Cb -0.10 -2.42 -0.11 0.00 0.51 0.00 0.00 43.02 40.90 1ulg s PHE 6 CO 0.23 0.41 1.37 1.55 0.70 0.00 0.00 175.22 179.48 1ulg n VAL 7 N 0.81 2.18 -2.94 -0.44 3.14 -1.26 -2.04 118.33 117.78 1ulg n VAL 7 Ca -0.05 -0.50 -0.21 0.00 -2.96 0.00 0.00 64.34 60.62 1ulg n VAL 7 Cb 0.52 -1.74 0.02 0.00 -1.06 0.00 0.00 33.84 31.57 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 0.46 -5.38 -1.83 6.55 3.02 0.74 -4.92 115.26 113.89 1ulg n ASN 8 Ca 0.04 -0.22 -0.06 0.00 -0.03 0.00 0.00 54.58 54.31 1ulg n ASN 8 Cb 0.38 -4.40 -0.00 0.00 -0.61 0.00 0.00 39.78 35.14 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 -2.33 -0.72 -3.83 6.41 4.05 -0.86 -5.00 115.26 112.97 1ulg n ASN 9 Ca -0.12 -1.78 -0.10 0.00 0.45 0.00 0.00 54.58 53.04 1ulg n ASN 9 Cb 0.61 1.28 -0.05 0.00 1.23 0.00 0.00 39.78 42.86 1ulg n ASN 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ulg s GLN 10 N -2.24 1.65 -0.02 1.20 -2.07 -1.26 -1.93 119.66 114.98 1ulg s GLN 10 Ca 0.11 -1.32 0.05 0.00 -1.82 0.00 0.00 55.36 52.38 1ulg s GLN 10 Cb -0.01 0.48 -0.01 0.00 -1.09 0.00 0.00 33.01 32.38 1ulg s GLN 10 CO 0.08 -0.69 -0.18 0.14 -1.32 0.00 0.00 175.29 173.31 1ulg s VAL 11 N -3.78 1.44 -0.15 3.63 -7.23 -0.82 -4.85 120.40 108.63 1ulg s VAL 11 Ca 0.23 -0.77 -0.19 0.00 -1.81 0.00 0.00 61.98 59.43 1ulg s VAL 11 Cb -0.01 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 1ulg s VAL 11 CO 0.11 0.41 0.54 -0.75 -0.31 0.00 0.00 175.10 175.10 1ulg s LYS 12 N -0.39 4.29 0.18 4.82 2.36 -1.26 -2.24 119.74 127.50 1ulg s LYS 12 Ca 0.06 0.52 -0.30 0.00 -2.55 0.00 0.00 55.97 53.71 1ulg s LYS 12 Cb -0.07 -3.50 -0.08 0.00 -1.05 0.00 0.00 37.83 33.13 1ulg s LYS 12 CO -0.00 -0.00 1.17 -0.51 1.55 0.00 0.00 175.35 177.55 1ulg s LEU 13 N 1.14 4.46 0.29 5.43 1.43 -0.69 -4.89 118.68 125.85 1ulg s LEU 13 Ca 0.27 2.19 0.25 0.00 -1.03 0.00 0.00 54.13 55.82 1ulg s LEU 13 Cb -0.16 -3.61 0.98 0.00 0.03 0.00 0.00 46.19 43.44 1ulg s LEU 13 CO 0.11 -0.34 1.75 -0.61 0.23 0.00 0.00 176.35 177.50 1ulg h GLN 14 N 5.26 0.00 -3.70 1.70 5.75 -1.96 -3.43 115.11 118.73 1ulg h GLN 14 Ca -0.44 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 57.88 1ulg h GLN 14 Cb 1.21 0.00 -0.23 0.00 1.07 0.00 0.00 27.48 29.53 1ulg h GLN 14 CO 0.74 0.00 -0.62 -0.80 -2.65 0.00 0.00 178.83 175.50 1ulg s ASN 15 N -4.52 0.06 0.20 -0.69 0.02 -1.26 -5.13 114.94 103.62 1ulg s ASN 15 Ca 0.05 -0.17 -0.32 0.00 -1.02 0.00 0.00 52.86 51.40 1ulg s ASN 15 Cb 0.10 0.14 -0.11 0.00 0.02 0.00 0.00 41.25 41.39 1ulg s ASN 15 CO 0.45 -0.21 1.69 -1.81 0.02 0.00 0.00 177.10 177.24 1ulg s ASP 16 N -0.84 6.43 -0.31 -1.22 1.01 -1.26 -4.89 116.67 115.59 1ulg s ASP 16 Ca -0.09 2.81 -0.29 0.00 0.71 0.00 0.00 52.55 55.69 1ulg s ASP 16 Cb -0.06 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1ulg s ASP 16 CO 0.00 -0.94 1.31 0.12 0.21 0.00 0.00 175.17 175.87 1ulg s PHE 17 N 1.18 2.67 0.15 4.23 5.36 0.79 -4.90 117.98 127.45 1ulg s PHE 17 Ca 0.74 0.86 0.03 0.00 -0.96 0.00 0.00 56.93 57.59 1ulg s PHE 17 Cb -0.48 -3.93 -0.01 0.00 -0.34 0.00 0.00 43.02 38.25 1ulg s PHE 17 CO 0.32 -1.73 0.12 0.36 -1.46 0.00 0.00 175.22 172.82 1ulg n LYS 18 N 7.36 0.23 -1.62 10.12 2.85 -1.26 -2.18 118.16 133.65 1ulg n LYS 18 Ca 0.15 -1.45 -0.49 0.00 -1.05 0.00 0.00 58.31 55.46 1ulg n LYS 18 Cb 0.47 1.16 -0.05 0.00 -0.65 0.00 0.00 35.03 35.95 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 -0.28 1.53 0.00 -1.58 -0.02 -1.26 -0.14 135.00 133.24 1ulg n PRO 19 Ca 0.03 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1ulg n PRO 19 Cb 0.26 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 2.73 0.00 -1.76 -0.52 -0.58 0.22 -4.96 120.64 115.77 1ulg n GLU 20 Ca 0.17 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.50 1ulg n GLU 20 Cb 0.23 -0.14 -0.01 0.00 -0.57 0.00 0.00 31.44 30.96 1ulg n GLU 20 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1ulg n SER 21 N 0.15 3.68 -4.09 1.62 7.64 0.80 -3.83 113.62 119.59 1ulg n SER 21 Ca 0.00 1.20 -0.28 0.00 1.01 0.00 0.00 58.87 60.80 1ulg n SER 21 Cb 0.00 -1.59 -0.17 0.00 -1.01 0.00 0.00 64.21 61.44 1ulg n SER 21 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ulg s VAL 22 N -0.77 1.52 -0.21 0.44 1.01 -0.22 -1.90 120.40 120.27 1ulg s VAL 22 Ca 0.57 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1ulg s VAL 22 Cb -0.50 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 34.55 1ulg s VAL 22 CO 0.59 0.44 -0.15 0.00 0.00 0.00 0.00 175.10 175.99 1ulg s ALA 23 N 0.70 2.48 -0.37 5.51 0.00 0.43 0.62 121.76 131.12 1ulg s ALA 23 Ca -0.13 -1.36 -0.06 0.00 0.00 0.00 0.00 51.96 50.41 1ulg s ALA 23 Cb -0.16 -1.39 0.07 0.00 0.00 0.00 0.00 23.12 21.64 1ulg s ALA 23 CO 0.03 -0.60 0.16 0.00 0.00 0.00 0.00 175.76 175.35 1ulg s ALA 24 N 1.28 3.11 -0.21 0.00 0.00 0.51 -0.53 121.76 125.90 1ulg s ALA 24 Ca 0.02 -2.06 -0.14 0.00 0.00 0.00 0.00 51.96 49.78 1ulg s ALA 24 Cb -0.15 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 1ulg s ALA 24 CO -0.09 -1.53 0.30 0.42 0.00 0.00 0.00 175.76 174.86 1ulg s ILE 25 N 1.32 5.26 -0.02 0.00 1.01 0.45 -1.74 121.20 127.49 1ulg s ILE 25 Ca 0.01 0.50 0.04 0.00 0.00 0.00 0.00 60.65 61.21 1ulg s ILE 25 Cb -0.21 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 1ulg s ILE 25 CO 0.00 0.29 -0.14 -0.13 0.00 0.00 0.00 174.94 174.97 1ulg s ARG 26 N 1.17 1.26 -0.03 2.79 0.52 0.16 -0.84 118.95 123.98 1ulg s ARG 26 Ca 0.15 -0.50 0.02 0.00 -0.52 0.00 0.00 55.73 54.88 1ulg s ARG 26 Cb -0.14 -1.18 -0.03 0.00 0.52 0.00 0.00 34.95 34.12 1ulg s ARG 26 CO 0.06 0.26 -0.05 0.45 0.02 0.00 0.00 175.30 176.04 1ulg s SER 27 N -0.15 4.75 -0.03 0.23 0.15 -0.41 -0.22 113.70 118.01 1ulg s SER 27 Ca 0.02 -0.06 0.16 0.00 0.70 0.00 0.00 55.95 56.76 1ulg s SER 27 Cb -0.07 -1.17 0.50 0.00 -1.71 0.00 0.00 66.02 63.56 1ulg s SER 27 CO 0.00 0.31 1.40 -1.54 1.20 0.00 0.00 173.24 174.62 1ulg n SER 28 N 1.78 3.20 0.00 5.45 3.41 -1.26 -3.69 113.62 122.51 1ulg n SER 28 Ca -0.16 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.32 1ulg n SER 28 Cb 0.53 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 1.91 -1.07 7.33 0.00 -0.99 -4.80 120.51 123.87 1ulg n ALA 29 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1ulg n ALA 29 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 -1.05 0.00 -3.08 0.00 7.35 -1.21 -4.45 117.46 115.02 1ulg n PHE 30 Ca 0.00 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.25 1ulg n PHE 30 Cb 0.00 -1.07 -0.06 0.00 0.35 0.00 0.00 39.48 38.70 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 0.00 6.24 0.25 -2.13 0.01 0.25 -4.95 114.94 114.61 1ulg s ASN 31 Ca 0.00 -0.86 -0.06 0.00 -0.71 0.00 0.00 52.86 51.23 1ulg s ASN 31 Cb 0.00 -2.32 0.45 0.00 0.41 0.00 0.00 41.25 39.79 1ulg s ASN 31 CO 0.00 -1.00 1.65 0.77 -1.51 0.00 0.00 177.10 177.00 1ulg h SER 32 N 9.10 -0.23 0.00 -1.22 4.64 -1.93 0.34 113.55 124.24 1ulg h SER 32 Ca -0.27 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1ulg h SER 32 Cb 1.09 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1ulg h SER 32 CO 1.01 -0.14 0.00 0.29 -0.87 0.00 0.00 176.83 177.12 1ulg n LYS 33 N -5.29 0.91 -1.60 4.77 4.01 -1.26 -4.86 118.16 114.85 1ulg n LYS 33 Ca 0.14 0.00 -0.31 0.00 -0.51 0.00 0.00 58.31 57.63 1ulg n LYS 33 Cb 0.48 -1.13 0.05 0.00 -0.51 0.00 0.00 35.03 33.92 1ulg n LYS 33 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1ulg s GLY 34 N -1.33 1.66 0.00 0.72 0.00 0.12 -5.06 107.32 103.43 1ulg s GLY 34 Ca 0.12 0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.87 1ulg s GLY 34 CO 0.09 0.35 0.00 0.61 0.00 0.00 0.00 173.10 174.15 1ulg n GLY 35 N -2.08 4.21 3.67 0.20 0.00 0.09 -4.72 105.19 106.56 1ulg n GLY 35 Ca 0.07 -1.75 -0.47 0.00 0.00 0.00 0.00 46.02 43.87 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 0.24 -4.62 2.61 -1.04 -1.25 -4.27 114.28 105.95 1ulg n THR 36 Ca 0.00 -0.04 -0.25 0.00 -2.04 0.00 0.00 64.05 61.72 1ulg n THR 36 Cb 0.00 -1.64 -0.17 0.00 -1.82 0.00 0.00 70.33 66.70 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 2.22 1.19 0.03 12.58 2.01 0.50 -4.41 115.64 129.75 1ulg s THR 37 Ca 0.85 -0.51 0.09 0.00 0.31 0.00 0.00 61.69 62.43 1ulg s THR 37 Cb -0.70 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 1ulg s THR 37 CO 0.44 0.37 -0.26 -0.69 -0.69 0.00 0.00 174.62 173.79 1ulg s VAL 38 N 0.65 2.14 -0.07 3.82 1.01 0.12 -0.05 120.40 128.03 1ulg s VAL 38 Ca -0.15 -1.30 0.02 0.00 0.00 0.00 0.00 61.98 60.55 1ulg s VAL 38 Cb -0.16 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.43 1ulg s VAL 38 CO 0.04 0.43 -0.11 -0.36 0.00 0.00 0.00 175.10 175.10 1ulg s PHE 39 N -0.75 1.39 -0.04 5.22 0.40 -0.41 -0.62 117.98 123.17 1ulg s PHE 39 Ca 0.11 -0.51 0.04 0.00 -0.60 0.00 0.00 56.93 55.97 1ulg s PHE 39 Cb -0.10 -1.04 -0.00 0.00 0.51 0.00 0.00 43.02 42.39 1ulg s PHE 39 CO 0.01 -0.28 -0.16 -0.80 0.70 0.00 0.00 175.22 174.70 1ulg s ASN 40 N 0.73 1.99 -0.28 1.36 0.01 -0.26 -0.72 114.94 117.76 1ulg s ASN 40 Ca -0.14 -0.32 -0.14 0.00 -0.71 0.00 0.00 52.86 51.55 1ulg s ASN 40 Cb -0.16 -0.57 -0.04 0.00 0.41 0.00 0.00 41.25 40.90 1ulg s ASN 40 CO 0.03 0.13 0.32 -0.36 -1.51 0.00 0.00 177.10 175.71 1ulg s PHE 41 N 0.10 3.23 -0.12 2.20 0.40 -0.23 -0.49 117.98 123.07 1ulg s PHE 41 Ca -0.04 0.27 -0.05 0.00 -0.60 0.00 0.00 56.93 56.51 1ulg s PHE 41 Cb -0.11 -2.53 -0.04 0.00 0.51 0.00 0.00 43.02 40.85 1ulg s PHE 41 CO 0.02 -0.24 0.06 -0.51 0.70 0.00 0.00 175.22 175.25 1ulg s LEU 42 N 1.98 3.87 1.05 -0.37 1.43 0.12 -1.65 118.68 125.10 1ulg s LEU 42 Ca 0.12 0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 53.27 1ulg s LEU 42 Cb -0.16 -1.93 0.22 0.00 0.03 0.00 0.00 46.19 44.35 1ulg s LEU 42 CO 0.10 0.33 1.19 -0.94 0.23 0.00 0.00 176.35 177.26 1ulg s SER 43 N -0.55 2.34 0.32 2.29 1.04 -0.88 0.23 113.70 118.48 1ulg s SER 43 Ca 0.10 0.59 0.05 0.00 0.48 0.00 0.00 55.95 57.18 1ulg s SER 43 Cb -0.12 -0.85 0.55 0.00 0.10 0.00 0.00 66.02 65.70 1ulg s SER 43 CO 0.02 -3.24 1.81 0.00 0.98 0.00 0.00 173.24 172.80 1ulg h ALA 44 N -1.98 1.27 -0.01 5.32 0.00 -1.92 -0.93 119.26 121.00 1ulg h ALA 44 Ca -0.46 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1ulg h ALA 44 Cb 1.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ulg h ALA 44 CO 0.43 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.57 1ulg n GLY 45 N -0.61 -0.91 2.46 0.00 0.00 -1.26 -4.89 105.19 99.99 1ulg n GLY 45 Ca -0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.66 -2.52 -3.32 1.61 1.02 -0.35 -4.83 120.64 111.59 1ulg n GLU 46 Ca 0.12 0.61 -0.35 0.00 -0.02 0.00 0.00 57.16 57.52 1ulg n GLU 46 Cb 0.07 -4.81 -0.06 0.00 -0.02 0.00 0.00 31.44 26.62 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 -2.68 6.82 -0.95 1.62 0.01 -1.26 -3.92 114.94 114.58 1ulg s ASN 47 Ca 0.13 1.11 -0.22 0.00 -0.71 0.00 0.00 52.86 53.17 1ulg s ASN 47 Cb -0.06 -2.30 0.07 0.00 0.41 0.00 0.00 41.25 39.37 1ulg s ASN 47 CO 0.17 0.05 1.34 -0.63 -1.51 0.00 0.00 177.10 176.51 1ulg s ILE 48 N -1.56 4.10 0.16 0.60 1.09 0.03 -2.08 121.20 123.54 1ulg s ILE 48 Ca 0.41 -0.79 -0.11 0.00 -1.10 0.00 0.00 60.65 59.06 1ulg s ILE 48 Cb -0.14 -4.96 0.04 0.00 -1.06 0.00 0.00 42.46 36.33 1ulg s ILE 48 CO 0.20 -1.81 1.62 -0.07 -0.10 0.00 0.00 174.94 174.78 1ulg h LEU 49 N 12.23 0.91 -7.24 2.97 3.38 -1.58 -1.83 115.31 124.15 1ulg h LEU 49 Ca 0.11 -0.30 -0.39 0.00 0.09 0.00 0.00 57.88 57.40 1ulg h LEU 49 Cb 1.02 -0.24 -0.39 0.00 0.09 0.00 0.00 40.66 41.13 1ulg h LEU 49 CO 1.33 0.98 -0.74 -0.22 0.09 0.00 0.00 178.44 179.89 1ulg s LEU 50 N -9.40 0.18 -0.18 1.67 2.96 -1.20 -4.63 118.68 108.08 1ulg s LEU 50 Ca -0.12 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 53.68 1ulg s LEU 50 Cb 0.12 -0.14 -0.01 0.00 0.50 0.00 0.00 46.19 46.66 1ulg s LEU 50 CO 0.83 -0.28 -0.08 -2.28 -1.32 0.00 0.00 176.35 173.22 1ulg s HIS 51 N 2.17 2.90 -0.29 5.38 5.65 0.99 -1.07 115.29 131.02 1ulg s HIS 51 Ca 0.04 -0.78 0.03 0.00 0.25 0.00 0.00 55.06 54.61 1ulg s HIS 51 Cb -0.13 -1.98 0.08 0.00 -1.18 0.00 0.00 32.58 29.37 1ulg s HIS 51 CO -0.05 -0.37 -0.04 0.42 -0.65 0.00 0.00 174.74 174.05 1ulg s ILE 52 N 0.89 2.24 -0.50 0.89 1.01 0.10 -1.94 121.20 123.89 1ulg s ILE 52 Ca -0.02 -1.91 -0.09 0.00 0.00 0.00 0.00 60.65 58.63 1ulg s ILE 52 Cb -0.15 -2.46 0.13 0.00 0.01 0.00 0.00 42.46 39.99 1ulg s ILE 52 CO 0.00 -0.26 0.37 -0.55 0.00 0.00 0.00 174.94 174.51 1ulg s SER 53 N 1.03 5.71 -0.32 3.58 0.15 0.13 -1.29 113.70 122.70 1ulg s SER 53 Ca -0.01 -2.04 -0.27 0.00 0.70 0.00 0.00 55.95 54.33 1ulg s SER 53 Cb -0.20 -2.00 0.01 0.00 -1.71 0.00 0.00 66.02 62.12 1ulg s SER 53 CO -0.06 -0.66 0.98 -0.63 1.20 0.00 0.00 173.24 174.07 1ulg s ILE 54 N 1.17 4.59 -0.66 6.45 1.01 0.93 -1.30 121.20 133.41 1ulg s ILE 54 Ca 0.07 1.52 0.04 0.00 0.00 0.00 0.00 60.65 62.28 1ulg s ILE 54 Cb -0.25 -4.33 0.16 0.00 0.01 0.00 0.00 42.46 38.05 1ulg s ILE 54 CO -0.02 -0.43 0.44 -0.13 0.00 0.00 0.00 174.94 174.81 1ulg s ARG 55 N 3.44 2.38 0.08 2.79 0.52 -0.31 -0.37 118.95 127.50 1ulg s ARG 55 Ca 0.41 -3.06 -0.30 0.00 -0.52 0.00 0.00 55.73 52.26 1ulg s ARG 55 Cb -0.13 -3.46 -0.14 0.00 0.52 0.00 0.00 34.95 31.75 1ulg s ARG 55 CO 0.15 -1.22 1.47 -1.00 0.02 0.00 0.00 175.30 174.72 1ulg h PRO 56 N 5.91 -0.73 -3.17 3.54 0.13 -1.79 -2.50 132.00 133.39 1ulg h PRO 56 Ca 0.06 0.05 -0.23 0.00 -0.87 0.00 0.00 66.00 65.01 1ulg h PRO 56 Cb 0.82 0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 1ulg h PRO 56 CO 0.72 -0.48 1.50 0.41 -0.23 0.00 0.00 178.00 179.92 1ulg n GLY 57 N -1.45 2.51 0.00 1.56 0.00 -1.26 -0.28 105.19 106.28 1ulg n GLY 57 Ca -0.09 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1ulg n GLY 57 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ulg n GLU 58 N 3.76 0.00 -4.18 1.61 2.13 -1.09 -5.02 120.64 117.85 1ulg n GLU 58 Ca 0.30 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.78 1ulg n GLU 58 Cb 0.22 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.87 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 0.00 -0.54 -3.68 4.31 5.15 0.62 -4.94 115.26 116.19 1ulg n ASN 59 Ca 0.00 -1.22 -0.14 0.00 -0.60 0.00 0.00 54.58 52.62 1ulg n ASN 59 Cb 0.00 -1.50 -0.07 0.00 -0.53 0.00 0.00 39.78 37.68 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 -4.10 0.05 -0.16 3.44 0.11 -1.07 -3.07 120.40 115.59 1ulg s VAL 60 Ca 0.14 -0.39 -0.00 0.00 -2.93 0.00 0.00 61.98 58.80 1ulg s VAL 60 Cb -0.08 -0.83 0.04 0.00 -1.53 0.00 0.00 36.38 33.98 1ulg s VAL 60 CO 0.94 -0.21 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.80 1ulg s ILE 61 N -1.81 1.20 -0.15 7.04 1.01 -0.12 -1.16 121.20 127.21 1ulg s ILE 61 Ca -0.09 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 59.86 1ulg s ILE 61 Cb -0.02 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 1ulg s ILE 61 CO 0.02 0.20 0.10 -0.69 0.00 0.00 0.00 174.94 174.57 1ulg s VAL 62 N 1.60 5.11 -0.12 2.92 1.01 -0.42 -1.98 120.40 128.52 1ulg s VAL 62 Ca 0.01 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1ulg s VAL 62 Cb -0.15 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 1ulg s VAL 62 CO -0.08 0.53 -0.18 -0.36 0.00 0.00 0.00 175.10 175.00 1ulg s PHE 63 N -0.26 2.69 0.35 5.22 0.40 -0.11 -0.69 117.98 125.58 1ulg s PHE 63 Ca 0.09 -0.87 -0.13 0.00 -0.60 0.00 0.00 56.93 55.43 1ulg s PHE 63 Cb -0.12 -1.79 0.03 0.00 0.51 0.00 0.00 43.02 41.66 1ulg s PHE 63 CO 0.01 -0.33 0.69 1.21 0.70 0.00 0.00 175.22 177.50 1ulg s ASN 64 N 0.39 0.18 0.12 1.36 3.84 -0.82 -1.88 114.94 118.13 1ulg s ASN 64 Ca -0.14 -1.14 -0.04 0.00 0.21 0.00 0.00 52.86 51.75 1ulg s ASN 64 Cb -0.17 0.77 -0.03 0.00 -0.55 0.00 0.00 41.25 41.28 1ulg s ASN 64 CO 0.07 -1.52 0.12 -0.44 -2.79 0.00 0.00 177.10 172.53 1ulg s SER 65 N -3.09 0.25 0.00 -4.21 0.01 -1.26 -0.01 113.70 105.39 1ulg s SER 65 Ca 0.19 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.42 1ulg s SER 65 Cb -0.04 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.51 1ulg s SER 65 CO 0.13 -0.75 0.00 -2.11 0.41 0.00 0.00 173.24 170.92 1ulg n ARG 66 N -0.09 0.00 -1.87 12.44 1.85 -0.69 -3.37 116.66 124.93 1ulg n ARG 66 Ca -0.08 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.39 1ulg n ARG 66 Cb 0.63 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 32.07 1ulg n ARG 66 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1ulg s LEU 67 N 0.00 3.84 0.32 2.89 1.43 -1.26 -0.79 118.68 125.10 1ulg s LEU 67 Ca 0.00 2.66 0.06 0.00 -1.03 0.00 0.00 54.13 55.81 1ulg s LEU 67 Cb 0.00 -4.32 0.86 0.00 0.03 0.00 0.00 46.19 42.76 1ulg s LEU 67 CO 0.00 -1.52 1.59 0.50 0.23 0.00 0.00 176.35 177.16 1ulg h LYS 68 N 1.42 0.05 0.05 1.70 3.64 -1.88 -1.69 116.57 119.87 1ulg h LYS 68 Ca -0.51 -0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.70 1ulg h LYS 68 Cb 1.30 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 1ulg h LYS 68 CO 0.57 0.04 -0.89 -0.91 -2.27 0.00 0.00 179.45 175.98 1ulg h ASN 69 N 0.06 0.17 -1.81 4.20 2.35 -1.89 -3.49 115.58 115.16 1ulg h ASN 69 Ca 0.64 -0.81 -0.18 0.00 -0.55 0.00 0.00 56.30 55.39 1ulg h ASN 69 Cb 1.40 -0.06 0.11 0.00 0.05 0.00 0.00 38.32 39.82 1ulg h ASN 69 CO -0.83 1.38 -0.22 0.61 -1.65 0.00 0.00 177.43 176.73 1ulg n GLY 70 N 1.61 -2.28 4.02 2.83 0.00 -0.64 -5.04 105.19 105.69 1ulg n GLY 70 Ca -0.21 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.06 4.32 0.08 4.61 0.00 -1.26 -4.68 121.76 122.77 1ulg s ALA 71 Ca 0.30 -1.96 -0.23 0.00 0.00 0.00 0.00 51.96 50.07 1ulg s ALA 71 Cb -0.05 -1.68 -0.06 0.00 0.00 0.00 0.00 23.12 21.33 1ulg s ALA 71 CO 0.28 -1.05 0.69 -1.58 0.00 0.00 0.00 175.76 174.10 1ulg s TRP 72 N -2.83 3.79 0.00 0.00 0.52 -1.26 -4.54 118.94 114.62 1ulg s TRP 72 Ca 0.63 1.43 0.00 0.00 0.02 0.00 0.00 56.10 58.18 1ulg s TRP 72 Cb -0.06 -2.70 0.00 0.00 -1.15 0.00 0.00 33.47 29.56 1ulg s TRP 72 CO 0.41 0.43 0.00 0.41 0.02 0.00 0.00 176.95 178.21 1ulg n GLY 73 N 2.03 -1.01 3.77 0.98 0.00 -1.22 -4.98 105.19 104.76 1ulg n GLY 73 Ca -0.06 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.42 4.13 0.45 1.61 0.04 -1.26 -4.91 135.00 132.64 1ulg s PRO 74 Ca 0.00 2.54 -0.17 0.00 0.04 0.00 0.00 61.00 63.41 1ulg s PRO 74 Cb 0.00 -3.00 -0.09 0.00 0.04 0.00 0.00 34.50 31.45 1ulg s PRO 74 CO 0.00 -0.55 0.92 -1.21 0.04 0.00 0.00 177.00 176.20 1ulg s GLU 75 N -1.40 4.04 -0.33 4.56 2.02 -1.26 -4.81 118.70 121.51 1ulg s GLU 75 Ca 0.57 0.93 0.01 0.00 0.02 0.00 0.00 54.97 56.49 1ulg s GLU 75 Cb -0.46 -2.22 0.10 0.00 0.10 0.00 0.00 34.13 31.65 1ulg s GLU 75 CO 0.56 -0.10 0.09 -1.21 0.02 0.00 0.00 175.26 174.62 1ulg s GLU 76 N -3.58 0.96 0.32 1.61 2.02 -0.79 -4.98 118.70 114.26 1ulg s GLU 76 Ca 0.59 -1.35 0.08 0.00 0.02 0.00 0.00 54.97 54.30 1ulg s GLU 76 Cb -0.10 -2.35 -0.03 0.00 0.10 0.00 0.00 34.13 31.75 1ulg s GLU 76 CO 0.23 -0.98 0.21 -0.98 0.02 0.00 0.00 175.26 173.76 1ulg s ARG 77 N 1.34 2.62 0.01 1.61 1.70 -1.26 -0.94 118.95 124.04 1ulg s ARG 77 Ca 0.11 -1.34 -0.20 0.00 -0.47 0.00 0.00 55.73 53.83 1ulg s ARG 77 Cb -0.18 -2.38 0.04 0.00 -0.57 0.00 0.00 34.95 31.86 1ulg s ARG 77 CO -0.19 0.17 0.43 0.96 -1.08 0.00 0.00 175.30 175.59 1ulg s ILE 78 N -2.31 0.04 0.48 4.99 -4.36 -0.84 -4.97 121.20 114.23 1ulg s ILE 78 Ca 0.38 -0.37 -0.23 0.00 -0.26 0.00 0.00 60.65 60.17 1ulg s ILE 78 Cb -0.05 -0.85 -0.08 0.00 1.25 0.00 0.00 42.46 42.73 1ulg s ILE 78 CO 0.25 -0.20 1.20 -2.65 0.24 0.00 0.00 174.94 173.77 1ulg n PRO 79 N 0.83 1.61 0.12 0.37 -0.02 -1.26 -0.94 135.00 135.70 1ulg n PRO 79 Ca -0.20 0.58 -0.21 0.00 -2.02 0.00 0.00 63.50 61.66 1ulg n PRO 79 Cb 0.58 -2.34 -0.15 0.00 -0.02 0.00 0.00 33.50 31.57 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 1.58 0.75 -2.80 6.00 3.20 -1.80 -3.43 116.97 120.46 1ulg h TYR 80 Ca -0.48 -0.55 -0.59 0.00 3.14 0.00 0.00 58.73 60.25 1ulg h TYR 80 Cb 1.32 -0.03 0.14 0.00 1.54 0.00 0.00 36.73 39.70 1ulg h TYR 80 CO 0.45 1.48 -0.09 0.00 -1.64 0.00 0.00 178.16 178.35 1ulg n ALA 81 N -2.68 -0.56 -4.12 1.82 0.00 -1.26 -3.06 120.51 110.65 1ulg n ALA 81 Ca -0.15 0.18 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 1ulg n ALA 81 Cb 1.07 -1.95 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 1ulg n ALA 81 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ulg n GLU 82 N 0.21 -3.79 -0.09 0.00 0.28 -1.26 -4.87 120.64 111.12 1ulg n GLU 82 Ca 0.11 0.43 -0.18 0.00 -0.16 0.00 0.00 57.16 57.36 1ulg n GLU 82 Cb 0.40 -5.15 -0.06 0.00 1.43 0.00 0.00 31.44 28.06 1ulg n GLU 82 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1ulg n LYS 83 N -4.46 0.37 -3.67 3.44 4.76 -1.17 -4.52 118.16 112.90 1ulg n LYS 83 Ca 0.03 0.16 -0.28 0.00 -2.87 0.00 0.00 58.31 55.35 1ulg n LYS 83 Cb 0.52 -1.12 -0.03 0.00 -1.84 0.00 0.00 35.03 32.55 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 -2.32 3.48 -0.26 2.13 0.40 -1.26 -1.24 117.98 118.91 1ulg s PHE 84 Ca -0.24 0.40 0.03 0.00 -0.60 0.00 0.00 56.93 56.51 1ulg s PHE 84 Cb 0.09 -1.89 0.06 0.00 0.51 0.00 0.00 43.02 41.78 1ulg s PHE 84 CO 0.31 0.38 -0.11 0.50 0.70 0.00 0.00 175.22 177.00 1ulg s ARG 85 N -3.18 2.31 0.66 0.44 3.52 -1.26 -4.91 118.95 116.52 1ulg s ARG 85 Ca 0.39 -1.31 -0.12 0.00 -0.13 0.00 0.00 55.73 54.56 1ulg s ARG 85 Cb -0.11 -2.88 -0.01 0.00 -1.56 0.00 0.00 34.95 30.39 1ulg s ARG 85 CO 0.28 -0.55 1.05 -1.25 -0.81 0.00 0.00 175.30 174.03 1ulg s PRO 86 N 1.12 3.11 0.12 5.12 0.04 -1.26 -1.96 135.00 141.29 1ulg s PRO 86 Ca -0.08 1.00 0.25 0.00 0.04 0.00 0.00 61.00 62.22 1ulg s PRO 86 Cb -0.19 -2.01 0.55 0.00 0.04 0.00 0.00 34.50 32.88 1ulg s PRO 86 CO -0.05 -0.96 1.49 -0.35 0.04 0.00 0.00 177.00 177.17 1ulg n PRO 87 N -2.77 0.23 -3.39 0.56 -0.04 -1.26 -4.88 135.00 123.45 1ulg n PRO 87 Ca 0.08 0.10 -0.33 0.00 -0.04 0.00 0.00 63.50 63.31 1ulg n PRO 87 Cb 0.53 -1.68 -0.06 0.00 -0.04 0.00 0.00 33.50 32.26 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 -2.03 4.51 -4.71 3.54 5.03 -1.19 -2.35 115.26 118.06 1ulg n ASN 88 Ca 0.04 -3.36 -0.30 0.00 0.87 0.00 0.00 54.58 51.84 1ulg n ASN 88 Cb 0.42 -0.91 0.14 0.00 -1.02 0.00 0.00 39.78 38.40 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 -2.27 1.27 0.18 3.52 0.04 -0.83 -4.71 135.00 132.20 1ulg s PRO 89 Ca 0.34 0.94 -0.15 0.00 0.04 0.00 0.00 61.00 62.17 1ulg s PRO 89 Cb 0.06 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.82 1ulg s PRO 89 CO -0.02 -2.26 0.44 -1.54 0.04 0.00 0.00 177.00 173.66 1ulg s SER 90 N -3.30 -0.17 -0.03 6.66 1.04 -1.26 -1.29 113.70 115.35 1ulg s SER 90 Ca 0.64 -0.58 -0.00 0.00 0.48 0.00 0.00 55.95 56.48 1ulg s SER 90 Cb -0.19 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.49 1ulg s SER 90 CO 0.57 -0.99 0.02 -0.63 0.98 0.00 0.00 173.24 173.19 1ulg s ILE 91 N -3.89 0.04 -0.14 -1.02 1.01 -0.02 -3.99 121.20 113.19 1ulg s ILE 91 Ca 0.11 0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.96 1ulg s ILE 91 Cb 0.00 -0.17 0.01 0.00 0.01 0.00 0.00 42.46 42.31 1ulg s ILE 91 CO -0.03 0.12 -0.21 -0.89 0.00 0.00 0.00 174.94 173.93 1ulg s THR 92 N 1.15 2.00 -0.08 2.92 2.01 0.39 -0.41 115.64 123.61 1ulg s THR 92 Ca -0.08 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.02 1ulg s THR 92 Cb -0.13 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.59 1ulg s THR 92 CO -0.03 0.54 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.55 1ulg s VAL 93 N 0.85 2.45 -0.05 3.82 1.01 0.30 -0.80 120.40 127.99 1ulg s VAL 93 Ca -0.07 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.04 1ulg s VAL 93 Cb -0.15 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.28 1ulg s VAL 93 CO -0.02 0.56 -0.13 -0.63 0.00 0.00 0.00 175.10 174.88 1ulg s ILE 94 N -0.01 1.12 -0.51 2.22 1.01 -0.28 -0.43 121.20 124.32 1ulg s ILE 94 Ca -0.06 -0.51 -0.20 0.00 0.00 0.00 0.00 60.65 59.87 1ulg s ILE 94 Cb -0.15 -1.00 0.05 0.00 0.01 0.00 0.00 42.46 41.37 1ulg s ILE 94 CO 0.05 0.34 0.71 -0.62 0.00 0.00 0.00 174.94 175.42 1ulg s ASP 95 N 0.37 6.26 -0.13 3.58 -1.08 -0.80 -0.82 116.67 124.05 1ulg s ASP 95 Ca -0.09 -0.75 0.12 0.00 -0.52 0.00 0.00 52.55 51.31 1ulg s ASP 95 Cb -0.13 -2.33 0.58 0.00 -1.46 0.00 0.00 42.92 39.58 1ulg s ASP 95 CO 0.02 -0.97 1.42 1.41 0.52 0.00 0.00 175.17 177.57 1ulg n HIS 96 N 6.50 1.35 0.00 -5.34 8.25 -0.33 0.71 115.22 126.35 1ulg n HIS 96 Ca -0.04 -0.49 0.00 0.00 -0.26 0.00 0.00 57.72 56.92 1ulg n HIS 96 Cb 0.46 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.26 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 0.69 2.12 0.12 -1.41 0.00 -1.26 -4.37 105.19 101.09 1ulg n GLY 97 Ca 0.20 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 3.38 1.04 -3.50 1.61 5.68 -1.26 -4.95 116.55 118.56 1ulg n ASP 98 Ca 0.00 -1.02 -0.09 0.00 -0.50 0.00 0.00 54.79 53.18 1ulg n ASP 98 Cb 0.00 0.83 -0.02 0.00 -1.14 0.00 0.00 41.12 40.79 1ulg n ASP 98 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ulg s ARG 99 N -2.31 1.03 -0.06 0.11 1.70 -1.26 -1.75 118.95 116.41 1ulg s ARG 99 Ca 0.08 -0.40 -0.05 0.00 -0.47 0.00 0.00 55.73 54.89 1ulg s ARG 99 Cb 0.12 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.92 1ulg s ARG 99 CO 0.57 -0.45 0.17 -0.06 -1.08 0.00 0.00 175.30 174.46 1ulg s PHE 100 N -3.38 3.58 -0.22 5.89 0.40 0.30 -1.19 117.98 123.36 1ulg s PHE 100 Ca 0.04 0.47 -0.05 0.00 -0.60 0.00 0.00 56.93 56.79 1ulg s PHE 100 Cb -0.01 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 1ulg s PHE 100 CO -0.09 0.69 0.00 -1.14 0.70 0.00 0.00 175.22 175.38 1ulg s GLN 101 N -1.46 3.53 -0.12 0.44 0.74 -0.00 0.08 119.66 122.86 1ulg s GLN 101 Ca 0.21 -0.55 0.03 0.00 0.05 0.00 0.00 55.36 55.10 1ulg s GLN 101 Cb -0.12 -3.13 0.00 0.00 1.10 0.00 0.00 33.01 30.86 1ulg s GLN 101 CO 0.11 -0.13 -0.21 0.42 -0.55 0.00 0.00 175.29 174.92 1ulg s ILE 102 N 1.38 2.20 -0.03 -2.34 1.09 0.11 -1.12 121.20 122.48 1ulg s ILE 102 Ca 0.05 -0.95 0.06 0.00 -1.10 0.00 0.00 60.65 58.70 1ulg s ILE 102 Cb -0.15 -1.87 -0.01 0.00 -1.06 0.00 0.00 42.46 39.37 1ulg s ILE 102 CO 0.00 0.55 -0.21 -0.13 -0.10 0.00 0.00 174.94 175.05 1ulg s ARG 103 N 0.59 1.88 0.00 2.79 0.52 0.02 -0.12 118.95 124.62 1ulg s ARG 103 Ca -0.12 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 54.35 1ulg s ARG 103 Cb -0.17 -1.72 0.00 0.00 0.52 0.00 0.00 34.95 33.59 1ulg s ARG 103 CO 0.03 0.39 0.00 1.19 0.02 0.00 0.00 175.30 176.93 1ulg n PHE 104 N 2.78 0.00 0.10 -0.53 0.99 -1.26 -0.47 117.46 119.06 1ulg n PHE 104 Ca -0.16 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.32 1ulg n PHE 104 Cb 0.53 0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 38.99 1ulg n PHE 104 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1ulg h ASP 105 N 0.00 0.00 -4.28 4.37 3.32 -1.30 -3.46 116.42 115.06 1ulg h ASP 105 Ca 0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 1ulg h ASP 105 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 1ulg h ASP 105 CO 0.00 0.42 -0.64 -0.31 -1.72 0.00 0.00 179.24 176.98 1ulg s TYR 106 N -3.03 1.45 0.00 4.55 4.12 -0.52 -4.94 117.35 118.98 1ulg s TYR 106 Ca 0.01 -1.05 0.00 0.00 0.02 0.00 0.00 57.07 56.05 1ulg s TYR 106 Cb 0.08 -0.84 0.00 0.00 -1.52 0.00 0.00 41.96 39.68 1ulg s TYR 106 CO 0.77 -0.20 0.00 0.41 0.02 0.00 0.00 175.55 176.55 1ulg n GLY 107 N -0.38 -2.27 3.86 0.71 0.00 -1.26 -4.79 105.19 101.05 1ulg n GLY 107 Ca -0.04 -1.53 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 1ulg n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ulg s THR 108 N -0.90 4.74 0.62 2.61 -4.23 -1.26 -4.91 115.64 112.32 1ulg s THR 108 Ca 0.00 0.76 -0.19 0.00 -1.18 0.00 0.00 61.69 61.08 1ulg s THR 108 Cb 0.00 -3.68 -0.02 0.00 1.34 0.00 0.00 72.50 70.14 1ulg s THR 108 CO 0.00 -0.37 1.30 -0.44 -0.54 0.00 0.00 174.62 174.57 1ulg s SER 109 N -2.77 4.77 -0.17 3.99 0.01 -1.26 -4.89 113.70 113.38 1ulg s SER 109 Ca 0.52 2.64 -0.07 0.00 1.31 0.00 0.00 55.95 60.35 1ulg s SER 109 Cb -0.10 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 1ulg s SER 109 CO 0.25 -1.90 0.07 -0.63 0.41 0.00 0.00 173.24 171.45 1ulg s ILE 110 N -1.39 4.88 -0.21 1.44 1.09 0.82 -4.92 121.20 122.92 1ulg s ILE 110 Ca 0.80 -0.00 -0.06 0.00 -1.10 0.00 0.00 60.65 60.29 1ulg s ILE 110 Cb -0.38 -3.18 -0.03 0.00 -1.06 0.00 0.00 42.46 37.81 1ulg s ILE 110 CO 0.41 0.49 0.03 -0.31 -0.10 0.00 0.00 174.94 175.45 1ulg s TYR 111 N 0.12 3.08 -0.27 3.97 1.51 -1.26 0.06 117.35 124.56 1ulg s TYR 111 Ca 0.06 -0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 55.72 1ulg s TYR 111 Cb -0.12 -2.13 0.04 0.00 -0.11 0.00 0.00 41.96 39.64 1ulg s TYR 111 CO 0.00 -0.23 -0.06 -0.47 -1.11 0.00 0.00 175.55 173.68 1ulg s TYR 112 N 1.12 3.16 0.26 2.71 5.04 0.11 -4.94 117.35 124.82 1ulg s TYR 112 Ca 0.03 -1.83 -0.30 0.00 -2.44 0.00 0.00 57.07 52.53 1ulg s TYR 112 Cb -0.14 -2.04 -0.10 0.00 0.35 0.00 0.00 41.96 40.03 1ulg s TYR 112 CO 0.02 -0.79 1.36 -0.80 -1.34 0.00 0.00 175.55 174.00 1ulg s ASN 113 N 1.25 6.77 0.43 4.32 0.02 -1.26 0.11 114.94 126.58 1ulg s ASN 113 Ca -0.03 2.59 -0.25 0.00 -1.02 0.00 0.00 52.86 54.15 1ulg s ASN 113 Cb -0.18 -2.63 -0.08 0.00 0.02 0.00 0.00 41.25 38.38 1ulg s ASN 113 CO -0.04 -0.59 1.34 -0.54 0.02 0.00 0.00 177.10 177.28 1ulg s LYS 114 N -0.74 3.80 -0.00 -0.60 1.02 -0.72 -4.85 119.74 117.64 1ulg s LYS 114 Ca 0.55 2.22 0.01 0.00 0.02 0.00 0.00 55.97 58.76 1ulg s LYS 114 Cb -0.40 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.25 1ulg s LYS 114 CO 0.45 -0.65 0.01 0.54 -0.92 0.00 0.00 175.35 174.77 1ulg n ARG 115 N -0.11 2.27 -4.29 1.68 1.74 -1.26 -4.97 116.66 111.72 1ulg n ARG 115 Ca 0.05 -0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.79 1ulg n ARG 115 Cb 0.43 -1.02 -0.16 0.00 -1.02 0.00 0.00 32.46 30.70 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 -2.03 2.31 -1.28 0.55 1.01 -1.26 -5.06 121.20 115.43 1ulg s ILE 116 Ca -0.00 -0.87 -0.18 0.00 0.00 0.00 0.00 60.65 59.59 1ulg s ILE 116 Cb 0.00 -1.97 0.07 0.00 0.01 0.00 0.00 42.46 40.57 1ulg s ILE 116 CO 0.03 0.52 1.72 -0.75 0.00 0.00 0.00 174.94 176.47 1ulg s LYS 117 N 1.12 3.94 -0.11 2.79 2.20 -1.26 -4.88 119.74 123.54 1ulg s LYS 117 Ca 0.01 -1.92 -0.26 0.00 -0.36 0.00 0.00 55.97 53.43 1ulg s LYS 117 Cb -0.14 -5.52 0.06 0.00 -1.51 0.00 0.00 37.83 30.72 1ulg s LYS 117 CO -0.07 -2.29 0.63 -1.21 -0.36 0.00 0.00 175.35 172.05 1ulg s GLU 118 N 4.32 0.92 0.39 4.03 2.02 -1.26 -5.17 118.70 123.95 1ulg s GLU 118 Ca 0.54 0.44 -0.10 0.00 0.02 0.00 0.00 54.97 55.86 1ulg s GLU 118 Cb 0.04 0.43 -0.06 0.00 0.10 0.00 0.00 34.13 34.64 1ulg s GLU 118 CO 0.07 -0.23 0.74 -0.80 0.02 0.00 0.00 175.26 175.06 1ulg s ASN 119 N -0.67 6.52 0.12 -0.19 0.01 -1.26 -4.94 114.94 114.53 1ulg s ASN 119 Ca -0.07 1.09 -0.30 0.00 -0.71 0.00 0.00 52.86 52.87 1ulg s ASN 119 Cb -0.02 -2.30 -0.06 0.00 0.41 0.00 0.00 41.25 39.27 1ulg s ASN 119 CO 0.06 -0.37 1.01 0.00 -1.51 0.00 0.00 177.10 176.30 1ulg s ALA 120 N -2.32 3.28 -0.62 0.60 0.00 -0.93 -4.19 121.76 117.58 1ulg s ALA 120 Ca 0.50 0.65 0.05 0.00 0.00 0.00 0.00 51.96 53.17 1ulg s ALA 120 Cb -0.10 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 19.73 1ulg s ALA 120 CO 0.30 -0.11 0.61 0.00 0.00 0.00 0.00 175.76 176.56 1ulg n ALA 121 N 2.84 2.51 -3.51 0.00 0.00 0.61 -0.15 120.51 122.81 1ulg n ALA 121 Ca 0.03 -0.49 -0.08 0.00 0.00 0.00 0.00 53.44 52.90 1ulg n ALA 121 Cb 0.48 -0.18 -0.02 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.58 -1.85 -0.09 0.00 0.00 -1.07 -1.70 121.76 116.47 1ulg s ALA 122 Ca 0.06 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.11 1ulg s ALA 122 Cb 0.04 0.34 0.02 0.00 0.00 0.00 0.00 23.12 23.52 1ulg s ALA 122 CO 0.08 -0.67 -0.12 0.42 0.00 0.00 0.00 175.76 175.47 1ulg s ILE 123 N -3.02 1.22 0.16 0.00 1.01 -0.95 0.13 121.20 119.75 1ulg s ILE 123 Ca 0.05 -0.48 0.06 0.00 0.00 0.00 0.00 60.65 60.28 1ulg s ILE 123 Cb -0.01 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 1ulg s ILE 123 CO -0.08 0.39 0.05 0.00 0.00 0.00 0.00 174.94 175.29 1ulg s ALA 124 N 1.04 3.36 -0.12 9.38 0.00 0.35 -1.94 121.76 133.83 1ulg s ALA 124 Ca -0.07 -1.26 -0.02 0.00 0.00 0.00 0.00 51.96 50.61 1ulg s ALA 124 Cb -0.15 -1.17 0.04 0.00 0.00 0.00 0.00 23.12 21.84 1ulg s ALA 124 CO -0.01 0.53 0.02 -0.47 0.00 0.00 0.00 175.76 175.83 1ulg s TYR 125 N -1.67 0.73 0.00 0.00 5.04 -0.81 -1.10 117.35 119.54 1ulg s TYR 125 Ca 0.29 -0.38 0.08 0.00 -2.44 0.00 0.00 57.07 54.61 1ulg s TYR 125 Cb -0.10 -0.86 -0.02 0.00 0.35 0.00 0.00 41.96 41.33 1ulg s TYR 125 CO 0.20 -0.43 -0.24 -0.80 -1.34 0.00 0.00 175.55 172.95 1ulg s ASN 126 N 1.96 2.81 -0.30 4.32 0.01 0.21 0.26 114.94 124.21 1ulg s ASN 126 Ca 0.03 -0.47 -0.23 0.00 -0.71 0.00 0.00 52.86 51.47 1ulg s ASN 126 Cb -0.14 -0.29 0.19 0.00 0.41 0.00 0.00 41.25 41.42 1ulg s ASN 126 CO -0.06 0.27 1.37 0.00 -1.51 0.00 0.00 177.10 177.16 1ulg s ALA 127 N -0.64 -2.27 -0.13 0.60 0.00 -1.26 -0.70 121.76 117.36 1ulg s ALA 127 Ca 0.09 1.75 0.18 0.00 0.00 0.00 0.00 51.96 53.98 1ulg s ALA 127 Cb -0.09 -1.78 -0.18 0.00 0.00 0.00 0.00 23.12 21.06 1ulg s ALA 127 CO 0.00 -0.15 0.63 0.39 0.00 0.00 0.00 175.76 176.64 1ulg n GLU 128 N 1.91 0.64 -2.92 0.00 -0.58 -1.26 -4.48 120.64 113.94 1ulg n GLU 128 Ca -0.12 0.11 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 1ulg n GLU 128 Cb 0.57 -1.71 0.03 0.00 -0.57 0.00 0.00 31.44 29.76 1ulg n GLU 128 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1ulg n ASN 129 N -2.76 -1.19 -4.37 1.62 5.15 -1.26 -5.07 115.26 107.38 1ulg n ASN 129 Ca -0.13 -3.34 -0.43 0.00 -0.60 0.00 0.00 54.58 50.09 1ulg n ASN 129 Cb 0.85 0.87 -0.00 0.00 -0.53 0.00 0.00 39.78 40.97 1ulg n ASN 129 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1ulg n SER 130 N 0.62 -1.91 -0.05 1.20 2.88 -1.26 -0.73 113.62 114.37 1ulg n SER 130 Ca 0.14 0.90 0.13 0.00 -1.33 0.00 0.00 58.87 58.71 1ulg n SER 130 Cb 0.66 -0.97 0.45 0.00 -0.75 0.00 0.00 64.21 63.60 1ulg n SER 130 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1ulg n LEU 131 N 1.93 0.41 0.00 2.46 7.94 -1.26 -4.54 117.00 123.94 1ulg n LEU 131 Ca 0.12 0.11 -0.17 0.00 -1.11 0.00 0.00 56.01 54.96 1ulg n LEU 131 Cb 0.37 -0.29 -0.03 0.00 0.53 0.00 0.00 43.42 44.00 1ulg n LEU 131 CO 0.55 0.09 -0.12 0.49 -1.11 0.00 0.00 177.39 177.29 1ulg n PHE 132 N -1.29 0.53 -2.68 1.96 0.99 -1.26 0.85 117.46 116.56 1ulg n PHE 132 Ca 0.09 -1.35 -0.26 0.00 -0.00 0.00 0.00 57.45 55.92 1ulg n PHE 132 Cb 0.32 -0.19 0.01 0.00 -1.00 0.00 0.00 39.48 38.63 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 -2.53 6.04 -0.18 4.37 1.04 -1.26 -4.72 113.70 116.46 1ulg s SER 133 Ca 0.01 0.75 -0.00 0.00 0.48 0.00 0.00 55.95 57.19 1ulg s SER 133 Cb -0.00 -2.00 0.05 0.00 0.10 0.00 0.00 66.02 64.17 1ulg s SER 133 CO 0.01 -0.69 -0.06 -0.55 0.98 0.00 0.00 173.24 172.92 1ulg s SER 134 N -4.17 3.12 0.82 7.02 0.15 -1.26 -3.70 113.70 115.67 1ulg s SER 134 Ca 0.48 -0.80 -0.02 0.00 0.70 0.00 0.00 55.95 56.31 1ulg s SER 134 Cb -0.10 -1.01 0.04 0.00 -1.71 0.00 0.00 66.02 63.24 1ulg s SER 134 CO 0.43 -0.19 0.26 -0.81 1.20 0.00 0.00 173.24 174.13 1ulg n PRO 135 N 4.81 -0.02 -4.82 5.44 -0.04 -1.26 -4.94 135.00 134.16 1ulg n PRO 135 Ca -0.12 -0.48 -0.31 0.00 -0.04 0.00 0.00 63.50 62.55 1ulg n PRO 135 Cb 0.47 -0.24 -0.14 0.00 -0.04 0.00 0.00 33.50 33.55 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 -1.22 2.45 0.31 0.52 -7.23 -0.35 -4.75 120.40 110.12 1ulg s VAL 136 Ca 0.15 -1.26 -0.28 0.00 -1.81 0.00 0.00 61.98 58.79 1ulg s VAL 136 Cb -0.01 -1.98 -0.09 0.00 0.56 0.00 0.00 36.38 34.86 1ulg s VAL 136 CO 0.10 0.38 1.04 -0.89 -0.31 0.00 0.00 175.10 175.42 1ulg s THR 137 N -0.84 3.72 -0.12 5.32 2.01 0.69 -1.98 115.64 124.44 1ulg s THR 137 Ca 0.13 1.59 -0.04 0.00 0.31 0.00 0.00 61.69 63.68 1ulg s THR 137 Cb -0.10 -3.95 0.05 0.00 0.01 0.00 0.00 72.50 68.50 1ulg s THR 137 CO 0.03 0.27 0.08 -0.69 -0.69 0.00 0.00 174.62 173.62 1ulg s VAL 138 N -1.34 -0.08 -0.21 3.82 1.01 0.60 -0.67 120.40 123.52 1ulg s VAL 138 Ca 0.48 0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.44 1ulg s VAL 138 Cb -0.27 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1ulg s VAL 138 CO 0.34 -0.11 0.04 -1.81 0.00 0.00 0.00 175.10 173.56 1ulg s ASP 139 N 2.14 5.12 -0.14 3.32 1.11 -0.71 0.43 116.67 127.95 1ulg s ASP 139 Ca 0.03 -0.14 0.01 0.00 0.18 0.00 0.00 52.55 52.63 1ulg s ASP 139 Cb -0.15 -1.89 -0.00 0.00 1.07 0.00 0.00 42.92 41.95 1ulg s ASP 139 CO -0.07 0.05 -0.17 -0.69 1.18 0.00 0.00 175.17 175.48 1ulg s VAL 140 N 1.08 2.58 0.07 -1.27 1.01 0.19 -0.36 120.40 123.70 1ulg s VAL 140 Ca 0.03 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.25 1ulg s VAL 140 Cb -0.14 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1ulg s VAL 140 CO 0.02 0.53 -0.05 -1.00 0.00 0.00 0.00 175.10 174.61 1ulg s HIS 141 N 0.63 2.89 0.14 5.22 3.76 0.20 -1.36 115.29 126.76 1ulg s HIS 141 Ca -0.09 -0.07 0.10 0.00 -0.15 0.00 0.00 55.06 54.85 1ulg s HIS 141 Cb -0.16 -1.52 0.07 0.00 1.11 0.00 0.00 32.58 32.08 1ulg s HIS 141 CO 0.03 0.44 1.44 0.78 -0.85 0.00 0.00 174.74 176.57 1ulg h GLY 142 N 3.76 0.00 -2.52 -2.22 0.00 -1.87 -0.58 103.07 99.65 1ulg h GLY 142 Ca -0.48 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 1ulg h GLY 142 CO 0.56 0.00 -0.29 0.48 0.00 0.00 0.00 176.54 177.29 1ulg s LEU 143 N -6.99 0.73 -0.02 3.11 2.34 -1.25 -3.12 118.68 113.48 1ulg s LEU 143 Ca 0.01 -0.98 -0.30 0.00 0.06 0.00 0.00 54.13 52.92 1ulg s LEU 143 Cb 0.11 1.28 -0.06 0.00 -0.56 0.00 0.00 46.19 46.96 1ulg s LEU 143 CO 0.78 -0.98 1.61 -0.22 -1.06 0.00 0.00 176.35 176.48 1ulg s LEU 144 N -3.02 4.33 0.60 1.48 1.98 -1.25 -4.75 118.68 118.05 1ulg s LEU 144 Ca 0.23 2.26 -0.13 0.00 -2.89 0.00 0.00 54.13 53.60 1ulg s LEU 144 Cb 0.02 -3.54 -0.04 0.00 0.66 0.00 0.00 46.19 43.29 1ulg s LEU 144 CO 0.06 -0.89 1.02 -2.16 -1.89 0.00 0.00 176.35 172.49 1ulg s PRO 145 N 3.52 3.59 0.25 0.98 0.04 -1.26 -4.97 135.00 137.16 1ulg s PRO 145 Ca 0.72 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 62.32 1ulg s PRO 145 Cb -0.34 -2.08 -0.14 0.00 0.04 0.00 0.00 34.50 31.98 1ulg s PRO 145 CO 0.29 -0.57 1.12 -2.30 0.04 0.00 0.00 177.00 175.58 1ulg n PRO 146 N -2.43 1.43 -3.71 0.56 -0.02 -1.26 -4.93 135.00 124.63 1ulg n PRO 146 Ca 0.07 0.50 -0.34 0.00 -2.02 0.00 0.00 63.50 61.70 1ulg n PRO 146 Cb 0.54 -1.96 -0.05 0.00 -0.02 0.00 0.00 33.50 32.01 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 0.40 4.36 0.71 2.45 1.43 -1.26 -5.10 118.68 121.67 1ulg s LEU 147 Ca 0.64 0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 54.25 1ulg s LEU 147 Cb -0.73 -2.78 0.04 0.00 0.03 0.00 0.00 46.19 42.74 1ulg s LEU 147 CO 0.56 0.22 1.08 -2.16 0.23 0.00 0.00 176.35 176.28 1ulg s PRO 148 N -1.85 2.54 0.57 1.29 0.04 -1.26 -4.95 135.00 131.38 1ulg s PRO 148 Ca 0.30 0.20 0.26 0.00 0.04 0.00 0.00 61.00 61.80 1ulg s PRO 148 Cb -0.13 -2.06 1.69 0.00 0.04 0.00 0.00 34.50 34.03 1ulg s PRO 148 CO 0.17 -1.16 2.23 -1.35 0.04 0.00 0.00 177.00 176.93 1ulg h PRO 149 N -0.68 0.00 0.00 0.56 0.11 -2.06 -3.56 132.00 126.37 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 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1ulg h PRO 149 CO 0.63 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.43