#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ulf s LEU 2 N 0.00 4.30 0.09 -0.89 2.96 -1.26 -0.53 118.68 123.34 1ulf s LEU 2 Ca 0.00 0.64 0.05 0.00 -0.22 0.00 0.00 54.13 54.60 1ulf s LEU 2 Cb 0.00 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 1ulf s LEU 2 CO 0.00 0.14 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.72 1ulf s TYR 3 N 0.14 1.29 -0.33 5.38 1.51 0.22 -5.00 117.35 120.56 1ulf s TYR 3 Ca 0.19 -0.49 -0.02 0.00 -1.01 0.00 0.00 57.07 55.74 1ulf s TYR 3 Cb -0.14 -0.71 0.07 0.00 -0.11 0.00 0.00 41.96 41.07 1ulf s TYR 3 CO 0.07 0.09 0.06 -1.01 -1.11 0.00 0.00 175.55 173.64 1ulf s HIS 4 N -1.52 3.37 -0.41 2.71 3.76 -1.26 -0.77 115.29 121.15 1ulf s HIS 4 Ca 0.02 -2.03 -0.17 0.00 -0.15 0.00 0.00 55.06 52.73 1ulf s HIS 4 Cb -0.08 -2.44 0.02 0.00 1.11 0.00 0.00 32.58 31.18 1ulf s HIS 4 CO 0.02 -0.85 0.40 -1.17 -0.85 0.00 0.00 174.74 172.30 1ulf s LEU 5 N 1.22 4.89 0.35 0.89 2.96 -0.90 -4.90 118.68 123.18 1ulf s LEU 5 Ca -0.01 -0.70 -0.20 0.00 -0.22 0.00 0.00 54.13 53.01 1ulf s LEU 5 Cb -0.20 -2.34 -0.10 0.00 0.50 0.00 0.00 46.19 44.05 1ulf s LEU 5 CO -0.02 -0.54 0.85 -0.36 -1.32 0.00 0.00 176.35 174.96 1ulf s PHE 6 N 2.04 3.45 0.40 5.38 0.40 -1.26 -1.57 117.98 126.81 1ulf s PHE 6 Ca 0.11 1.49 -0.27 0.00 -0.60 0.00 0.00 56.93 57.66 1ulf s PHE 6 Cb -0.17 -2.74 -0.10 0.00 0.51 0.00 0.00 43.02 40.52 1ulf s PHE 6 CO 0.13 0.08 1.39 1.55 0.70 0.00 0.00 175.22 179.07 1ulf n VAL 7 N -0.13 2.34 -1.59 -0.44 3.14 -1.26 -1.38 118.33 119.01 1ulf n VAL 7 Ca 0.04 -0.50 -0.18 0.00 -2.96 0.00 0.00 64.34 60.74 1ulf n VAL 7 Cb 0.53 -1.78 -0.07 0.00 -1.06 0.00 0.00 33.84 31.45 1ulf n VAL 7 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1ulf n ASN 8 N 0.27 -5.17 -2.33 6.55 3.02 0.45 -4.94 115.26 113.10 1ulf n ASN 8 Ca 0.04 0.41 -0.11 0.00 -0.03 0.00 0.00 54.58 54.89 1ulf n ASN 8 Cb 0.39 -4.26 -0.04 0.00 -0.61 0.00 0.00 39.78 35.27 1ulf n ASN 8 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ulf n ASN 9 N -0.95 0.19 -3.79 6.41 3.02 -0.48 -4.97 115.26 114.69 1ulf n ASN 9 Ca -0.18 -2.10 -0.10 0.00 -0.03 0.00 0.00 54.58 52.18 1ulf n ASN 9 Cb 0.60 0.72 -0.06 0.00 -0.61 0.00 0.00 39.78 40.42 1ulf n ASN 9 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ulf s GLN 10 N -2.72 1.03 -0.08 3.52 -2.07 -1.26 -1.33 119.66 116.75 1ulf s GLN 10 Ca 0.16 -0.91 0.02 0.00 -1.82 0.00 0.00 55.36 52.82 1ulf s GLN 10 Cb 0.01 0.41 -0.02 0.00 -1.09 0.00 0.00 33.01 32.32 1ulf s GLN 10 CO 0.12 -0.38 -0.14 0.14 -1.32 0.00 0.00 175.29 173.71 1ulf s VAL 11 N -3.86 3.06 -0.37 3.63 -7.23 -0.46 -4.88 120.40 110.29 1ulf s VAL 11 Ca 0.07 -0.70 -0.20 0.00 -1.81 0.00 0.00 61.98 59.34 1ulf s VAL 11 Cb 0.03 -2.23 0.01 0.00 0.56 0.00 0.00 36.38 34.74 1ulf s VAL 11 CO -0.08 0.57 0.62 -0.75 -0.31 0.00 0.00 175.10 175.14 1ulf s LYS 12 N -0.31 3.60 0.40 4.82 2.47 -1.26 -2.35 119.74 127.11 1ulf s LYS 12 Ca 0.03 -0.06 -0.26 0.00 -1.56 0.00 0.00 55.97 54.11 1ulf s LYS 12 Cb -0.13 -3.83 -0.09 0.00 -1.46 0.00 0.00 37.83 32.32 1ulf s LYS 12 CO 0.03 -0.77 1.31 -0.51 0.16 0.00 0.00 175.35 175.56 1ulf s LEU 13 N 2.68 4.23 0.18 5.43 1.43 -0.18 -4.95 118.68 127.50 1ulf s LEU 13 Ca 0.23 2.66 -0.08 0.00 -1.03 0.00 0.00 54.13 55.92 1ulf s LEU 13 Cb -0.15 -3.88 0.08 0.00 0.03 0.00 0.00 46.19 42.27 1ulf s LEU 13 CO 0.15 -0.83 1.58 -0.61 0.23 0.00 0.00 176.35 176.87 1ulf h GLN 14 N 2.72 0.90 -5.31 1.70 5.75 -1.96 -3.44 115.11 115.47 1ulf h GLN 14 Ca -0.50 -0.38 -0.39 0.00 -0.15 0.00 0.00 58.65 57.23 1ulf h GLN 14 Cb 1.24 -0.03 -0.18 0.00 1.07 0.00 0.00 27.48 29.58 1ulf h GLN 14 CO 0.63 1.03 -0.75 -0.80 -2.65 0.00 0.00 178.83 176.29 1ulf s ASN 15 N -6.74 1.87 0.47 -0.69 -0.87 -1.26 -5.13 114.94 102.58 1ulf s ASN 15 Ca -0.10 -0.81 -0.24 0.00 -1.57 0.00 0.00 52.86 50.14 1ulf s ASN 15 Cb 0.13 -0.05 -0.07 0.00 -0.02 0.00 0.00 41.25 41.23 1ulf s ASN 15 CO 0.86 -0.17 1.32 -1.81 -2.57 0.00 0.00 177.10 174.73 1ulf s ASP 16 N -2.44 5.88 -0.47 -1.22 1.01 -1.26 -4.94 116.67 113.23 1ulf s ASP 16 Ca 0.08 2.69 -0.24 0.00 0.71 0.00 0.00 52.55 55.79 1ulf s ASP 16 Cb -0.04 -2.64 0.03 0.00 1.01 0.00 0.00 42.92 41.28 1ulf s ASP 16 CO 0.02 -1.15 0.87 0.12 0.21 0.00 0.00 175.17 175.24 1ulf s PHE 17 N -1.31 2.93 0.00 4.23 5.36 0.33 -4.93 117.98 124.59 1ulf s PHE 17 Ca 0.63 0.21 0.00 0.00 -0.96 0.00 0.00 56.93 56.81 1ulf s PHE 17 Cb -0.38 -3.86 0.00 0.00 -0.34 0.00 0.00 43.02 38.44 1ulf s PHE 17 CO 0.48 -1.10 0.00 0.36 -1.46 0.00 0.00 175.22 173.50 1ulf n LYS 18 N 7.02 0.42 -1.62 10.12 2.85 -1.26 -1.91 118.16 133.79 1ulf n LYS 18 Ca 0.04 0.00 -0.47 0.00 -1.05 0.00 0.00 58.31 56.83 1ulf n LYS 18 Cb 0.48 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.83 1ulf n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1ulf n PRO 19 N 0.00 1.54 0.00 -1.58 -0.02 -1.26 -0.93 135.00 132.74 1ulf n PRO 19 Ca 0.00 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1ulf n PRO 19 Cb 0.00 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1ulf n PRO 19 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ulf n GLU 20 N 1.80 0.00 -1.97 -0.52 -0.58 -0.32 -4.98 120.64 114.07 1ulf n GLU 20 Ca 0.13 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.49 1ulf n GLU 20 Cb 0.28 -0.35 0.02 0.00 -0.57 0.00 0.00 31.44 30.81 1ulf n GLU 20 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1ulf s SER 21 N -0.62 5.77 -0.06 1.62 0.01 -0.11 -3.58 113.70 116.73 1ulf s SER 21 Ca 0.00 2.62 0.01 0.00 1.31 0.00 0.00 55.95 59.89 1ulf s SER 21 Cb 0.00 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.62 1ulf s SER 21 CO 0.00 -1.22 -0.06 -0.69 0.41 0.00 0.00 173.24 171.68 1ulf s VAL 22 N -1.36 0.72 -0.25 3.43 1.01 -0.28 -1.87 120.40 121.80 1ulf s VAL 22 Ca 0.66 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.42 1ulf s VAL 22 Cb -0.37 -0.72 0.04 0.00 0.00 0.00 0.00 36.38 35.33 1ulf s VAL 22 CO 0.45 0.27 -0.08 0.00 0.00 0.00 0.00 175.10 175.74 1ulf s ALA 23 N 0.97 2.64 -0.49 5.51 0.00 0.03 0.20 121.76 130.62 1ulf s ALA 23 Ca -0.10 -1.54 -0.13 0.00 0.00 0.00 0.00 51.96 50.19 1ulf s ALA 23 Cb -0.14 -1.63 0.11 0.00 0.00 0.00 0.00 23.12 21.45 1ulf s ALA 23 CO 0.00 -0.90 0.40 0.00 0.00 0.00 0.00 175.76 175.27 1ulf s ALA 24 N 1.26 3.51 -0.16 0.00 0.00 0.02 -1.42 121.76 124.97 1ulf s ALA 24 Ca -0.02 -2.38 -0.16 0.00 0.00 0.00 0.00 51.96 49.40 1ulf s ALA 24 Cb -0.17 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1ulf s ALA 24 CO -0.05 -1.87 0.41 0.42 0.00 0.00 0.00 175.76 174.67 1ulf s ILE 25 N 1.53 5.22 -0.03 0.00 1.01 0.10 -2.05 121.20 126.98 1ulf s ILE 25 Ca 0.04 0.77 0.02 0.00 0.00 0.00 0.00 60.65 61.47 1ulf s ILE 25 Cb -0.27 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.47 1ulf s ILE 25 CO 0.03 0.31 -0.06 -0.13 0.00 0.00 0.00 174.94 175.09 1ulf s ARG 26 N 0.88 0.76 -0.07 2.79 0.52 0.91 -0.58 118.95 124.15 1ulf s ARG 26 Ca 0.21 -0.18 -0.04 0.00 -0.52 0.00 0.00 55.73 55.19 1ulf s ARG 26 Cb -0.14 -0.74 -0.04 0.00 0.52 0.00 0.00 34.95 34.55 1ulf s ARG 26 CO 0.08 0.03 0.11 0.45 0.02 0.00 0.00 175.30 175.99 1ulf s SER 27 N 0.43 6.04 0.00 0.23 0.15 -0.56 -0.05 113.70 119.94 1ulf s SER 27 Ca -0.06 0.33 0.12 0.00 0.70 0.00 0.00 55.95 57.04 1ulf s SER 27 Cb -0.10 -1.87 0.48 0.00 -1.71 0.00 0.00 66.02 62.83 1ulf s SER 27 CO 0.00 0.35 1.34 -1.54 1.20 0.00 0.00 173.24 174.60 1ulf n SER 28 N 1.69 0.96 -3.70 5.45 3.41 -1.26 -3.94 113.62 116.22 1ulf n SER 28 Ca -0.17 -1.82 -0.04 0.00 -0.26 0.00 0.00 58.87 56.58 1ulf n SER 28 Cb 0.54 -0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.38 1ulf n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ulf s ALA 29 N -1.81 -1.52 -0.23 7.33 0.00 -1.04 -4.79 121.76 119.71 1ulf s ALA 29 Ca 0.20 -0.05 -0.04 0.00 0.00 0.00 0.00 51.96 52.08 1ulf s ALA 29 Cb 0.10 0.69 0.09 0.00 0.00 0.00 0.00 23.12 24.01 1ulf s ALA 29 CO 0.15 -1.04 0.16 0.12 0.00 0.00 0.00 175.76 175.15 1ulf s PHE 30 N -3.26 0.01 -0.56 0.00 5.36 -1.17 -4.10 117.98 114.27 1ulf s PHE 30 Ca 0.13 -0.31 -0.22 0.00 -0.96 0.00 0.00 56.93 55.57 1ulf s PHE 30 Cb -0.03 -0.63 0.06 0.00 -0.34 0.00 0.00 43.02 42.08 1ulf s PHE 30 CO 0.04 -0.68 0.82 -0.80 -1.46 0.00 0.00 175.22 173.14 1ulf s ASN 31 N 2.21 6.26 0.27 6.13 0.01 0.13 -4.94 114.94 125.01 1ulf s ASN 31 Ca 0.06 -0.75 -0.00 0.00 -0.71 0.00 0.00 52.86 51.47 1ulf s ASN 31 Cb -0.16 -2.37 0.54 0.00 0.41 0.00 0.00 41.25 39.67 1ulf s ASN 31 CO -0.21 -1.15 1.80 0.28 -1.51 0.00 0.00 177.10 176.31 1ulf h SER 32 N 9.25 0.72 -0.16 -1.22 0.02 -1.93 -1.48 113.55 118.75 1ulf h SER 32 Ca -0.27 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1ulf h SER 32 Cb 1.08 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1ulf h SER 32 CO 1.07 0.35 0.00 0.29 -1.14 0.00 0.00 176.83 177.39 1ulf n LYS 33 N -4.75 1.95 -1.37 3.45 4.76 -1.26 -4.93 118.16 116.01 1ulf n LYS 33 Ca 0.18 -0.81 -0.30 0.00 -2.87 0.00 0.00 58.31 54.50 1ulf n LYS 33 Cb 0.39 -1.62 0.10 0.00 -1.84 0.00 0.00 35.03 32.06 1ulf n LYS 33 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1ulf s GLY 34 N -0.33 1.64 0.00 0.72 0.00 -0.56 -5.06 107.32 103.74 1ulf s GLY 34 Ca 0.14 0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.87 1ulf s GLY 34 CO 0.05 0.42 0.00 0.61 0.00 0.00 0.00 173.10 174.18 1ulf n GLY 35 N -1.54 4.08 3.68 0.20 0.00 0.01 -4.84 105.19 106.79 1ulf n GLY 35 Ca 0.08 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 1ulf n GLY 35 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ulf n THR 36 N 0.00 0.43 -4.78 2.61 -1.04 -1.26 -4.38 114.28 105.87 1ulf n THR 36 Ca 0.00 -0.08 -0.32 0.00 -2.04 0.00 0.00 64.05 61.62 1ulf n THR 36 Cb 0.00 -2.10 -0.17 0.00 -1.82 0.00 0.00 70.33 66.24 1ulf n THR 36 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1ulf s THR 37 N 3.01 1.97 0.11 12.58 2.01 -0.29 -4.33 115.64 130.71 1ulf s THR 37 Ca 0.84 -0.94 0.10 0.00 0.31 0.00 0.00 61.69 62.00 1ulf s THR 37 Cb -0.50 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1ulf s THR 37 CO 0.39 0.54 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.93 1ulf s VAL 38 N 0.72 2.43 -0.05 3.82 1.01 0.16 -0.81 120.40 127.68 1ulf s VAL 38 Ca -0.10 -1.63 0.01 0.00 0.00 0.00 0.00 61.98 60.26 1ulf s VAL 38 Cb -0.16 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.17 1ulf s VAL 38 CO 0.01 0.13 -0.05 -0.36 0.00 0.00 0.00 175.10 174.83 1ulf s PHE 39 N -1.05 0.79 0.02 5.22 0.40 -0.72 -0.43 117.98 122.20 1ulf s PHE 39 Ca 0.15 -0.23 0.06 0.00 -0.60 0.00 0.00 56.93 56.32 1ulf s PHE 39 Cb -0.10 -0.69 -0.02 0.00 0.51 0.00 0.00 43.02 42.71 1ulf s PHE 39 CO 0.07 -0.20 -0.20 -0.80 0.70 0.00 0.00 175.22 174.79 1ulf s ASN 40 N 0.94 2.32 -0.27 1.36 0.01 -0.37 -0.88 114.94 118.04 1ulf s ASN 40 Ca -0.11 -0.44 -0.07 0.00 -0.71 0.00 0.00 52.86 51.53 1ulf s ASN 40 Cb -0.14 -0.22 -0.01 0.00 0.41 0.00 0.00 41.25 41.28 1ulf s ASN 40 CO 0.00 0.19 0.08 -0.36 -1.51 0.00 0.00 177.10 175.50 1ulf s PHE 41 N -0.64 3.12 -0.02 2.20 0.40 0.00 -0.79 117.98 122.25 1ulf s PHE 41 Ca 0.07 -0.64 0.01 0.00 -0.60 0.00 0.00 56.93 55.77 1ulf s PHE 41 Cb -0.08 -2.26 -0.03 0.00 0.51 0.00 0.00 43.02 41.15 1ulf s PHE 41 CO 0.01 -0.45 -0.02 -0.51 0.70 0.00 0.00 175.22 174.94 1ulf s LEU 42 N 1.57 3.41 0.91 -0.37 1.43 0.06 -0.88 118.68 124.80 1ulf s LEU 42 Ca 0.05 -0.02 -0.14 0.00 -1.03 0.00 0.00 54.13 52.99 1ulf s LEU 42 Cb -0.16 -1.90 0.16 0.00 0.03 0.00 0.00 46.19 44.32 1ulf s LEU 42 CO 0.03 0.31 1.26 -0.94 0.23 0.00 0.00 176.35 177.25 1ulf s SER 43 N -1.33 3.57 0.28 2.29 1.04 -0.39 0.03 113.70 119.18 1ulf s SER 43 Ca 0.17 0.38 -0.03 0.00 0.48 0.00 0.00 55.95 56.94 1ulf s SER 43 Cb -0.11 -0.56 0.37 0.00 0.10 0.00 0.00 66.02 65.81 1ulf s SER 43 CO 0.07 -2.45 1.91 0.00 0.98 0.00 0.00 173.24 173.75 1ulf h ALA 44 N -1.42 1.30 -0.06 5.32 0.00 -1.91 -0.59 119.26 121.91 1ulf h ALA 44 Ca -0.44 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1ulf h ALA 44 Cb 1.26 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1ulf h ALA 44 CO 0.46 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.70 1ulf n GLY 45 N -1.23 -0.49 2.23 0.00 0.00 -1.26 -4.88 105.19 99.56 1ulf n GLY 45 Ca 0.08 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1ulf n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ulf n GLU 46 N -0.29 -0.79 -2.79 1.61 1.02 -0.23 -4.74 120.64 114.43 1ulf n GLU 46 Ca 0.02 0.61 -0.38 0.00 -0.02 0.00 0.00 57.16 57.39 1ulf n GLU 46 Cb 0.08 -4.64 -0.06 0.00 -0.02 0.00 0.00 31.44 26.79 1ulf n GLU 46 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1ulf s ASN 47 N -2.64 7.40 -0.80 1.62 0.01 -1.26 -3.90 114.94 115.37 1ulf s ASN 47 Ca 0.00 1.85 -0.20 0.00 -0.71 0.00 0.00 52.86 53.80 1ulf s ASN 47 Cb 0.00 -2.58 0.11 0.00 0.41 0.00 0.00 41.25 39.19 1ulf s ASN 47 CO 0.00 -0.01 1.01 -0.63 -1.51 0.00 0.00 177.10 175.95 1ulf s ILE 48 N -1.52 4.67 0.22 0.60 1.01 0.12 -1.27 121.20 125.03 1ulf s ILE 48 Ca 0.48 -1.19 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 1ulf s ILE 48 Cb -0.20 -4.70 0.14 0.00 0.01 0.00 0.00 42.46 37.71 1ulf s ILE 48 CO 0.25 -1.42 1.76 -0.07 0.00 0.00 0.00 174.94 175.46 1ulf h LEU 49 N 10.50 1.05 -7.26 2.97 3.38 -1.27 -2.41 115.31 122.28 1ulf h LEU 49 Ca -0.03 -0.19 -0.20 0.00 0.09 0.00 0.00 57.88 57.54 1ulf h LEU 49 Cb 1.05 -0.27 -0.31 0.00 0.09 0.00 0.00 40.66 41.21 1ulf h LEU 49 CO 1.11 0.97 -0.50 -0.22 0.09 0.00 0.00 178.44 179.89 1ulf s LEU 50 N -9.58 -0.03 -0.14 1.67 2.96 -1.17 -4.72 118.68 107.67 1ulf s LEU 50 Ca -0.12 0.58 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 1ulf s LEU 50 Cb 0.15 0.74 -0.00 0.00 0.50 0.00 0.00 46.19 47.59 1ulf s LEU 50 CO 0.84 -0.21 -0.17 -2.28 -1.32 0.00 0.00 176.35 173.20 1ulf s HIS 51 N 1.95 2.74 -0.31 5.38 5.65 0.20 -0.82 115.29 130.08 1ulf s HIS 51 Ca -0.03 -1.07 0.03 0.00 0.25 0.00 0.00 55.06 54.25 1ulf s HIS 51 Cb -0.11 -1.85 0.08 0.00 -1.18 0.00 0.00 32.58 29.52 1ulf s HIS 51 CO -0.09 -0.47 -0.01 0.42 -0.65 0.00 0.00 174.74 173.94 1ulf s ILE 52 N 0.72 2.17 -0.47 0.89 1.01 -0.06 -2.00 121.20 123.46 1ulf s ILE 52 Ca -0.08 -2.03 -0.11 0.00 0.00 0.00 0.00 60.65 58.44 1ulf s ILE 52 Cb -0.16 -2.48 0.10 0.00 0.01 0.00 0.00 42.46 39.94 1ulf s ILE 52 CO 0.01 -0.38 0.35 -0.55 0.00 0.00 0.00 174.94 174.37 1ulf s SER 53 N 1.01 5.82 -0.46 3.58 0.15 0.17 -1.75 113.70 122.23 1ulf s SER 53 Ca 0.03 -1.69 -0.25 0.00 0.70 0.00 0.00 55.95 54.74 1ulf s SER 53 Cb -0.19 -2.06 0.03 0.00 -1.71 0.00 0.00 66.02 62.08 1ulf s SER 53 CO -0.07 -0.67 0.90 -0.63 1.20 0.00 0.00 173.24 173.97 1ulf s ILE 54 N 1.46 4.51 -0.47 6.45 1.01 0.01 -0.74 121.20 133.42 1ulf s ILE 54 Ca 0.04 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.39 1ulf s ILE 54 Cb -0.26 -4.41 0.12 0.00 0.01 0.00 0.00 42.46 37.93 1ulf s ILE 54 CO 0.02 -0.80 0.23 -0.13 0.00 0.00 0.00 174.94 174.26 1ulf s ARG 55 N 3.66 2.00 0.21 2.79 0.52 -0.27 -1.13 118.95 126.72 1ulf s ARG 55 Ca 0.36 -2.18 -0.08 0.00 -0.52 0.00 0.00 55.73 53.31 1ulf s ARG 55 Cb -0.11 -3.47 0.15 0.00 0.52 0.00 0.00 34.95 32.04 1ulf s ARG 55 CO 0.25 -1.07 1.77 -1.35 0.02 0.00 0.00 175.30 174.92 1ulf h PRO 56 N 7.37 1.17 0.00 3.54 0.11 -1.83 -0.39 132.00 141.97 1ulf h PRO 56 Ca -0.07 -0.22 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 1ulf h PRO 56 Cb 0.98 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 1ulf h PRO 56 CO 0.65 0.95 -0.20 0.78 -0.21 0.00 0.00 178.00 179.98 1ulf h GLY 57 N 1.13 0.00 -1.34 -0.55 0.00 -1.93 -2.22 103.07 98.17 1ulf h GLY 57 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1ulf h GLY 57 CO -0.02 0.00 -0.18 -2.21 0.00 0.00 0.00 176.54 174.13 1ulf n GLU 58 N -3.72 1.70 -3.53 4.80 2.13 -1.07 -4.97 120.64 115.97 1ulf n GLU 58 Ca -0.01 -1.38 -0.26 0.00 0.66 0.00 0.00 57.16 56.16 1ulf n GLU 58 Cb 0.31 -1.40 0.02 0.00 0.27 0.00 0.00 31.44 30.64 1ulf n GLU 58 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1ulf n ASN 59 N 0.63 -4.81 -3.97 4.31 5.15 -0.22 -4.95 115.26 111.40 1ulf n ASN 59 Ca 0.10 -0.53 -0.08 0.00 -0.60 0.00 0.00 54.58 53.46 1ulf n ASN 59 Cb 0.48 -3.89 -0.08 0.00 -0.53 0.00 0.00 39.78 35.76 1ulf n ASN 59 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1ulf s VAL 60 N -3.15 0.15 -0.14 3.44 -7.23 -0.81 -1.00 120.40 111.66 1ulf s VAL 60 Ca 0.50 -1.46 0.01 0.00 -1.81 0.00 0.00 61.98 59.22 1ulf s VAL 60 Cb -0.25 -1.54 0.02 0.00 0.56 0.00 0.00 36.38 35.17 1ulf s VAL 60 CO 0.62 -0.67 -0.17 -0.63 -0.31 0.00 0.00 175.10 173.93 1ulf s ILE 61 N -3.91 1.76 -0.19 -0.62 1.01 -0.03 -1.11 121.20 118.10 1ulf s ILE 61 Ca 0.09 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 59.90 1ulf s ILE 61 Cb 0.06 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 1ulf s ILE 61 CO -0.08 0.49 0.05 -0.69 0.00 0.00 0.00 174.94 174.71 1ulf s VAL 62 N 1.14 4.62 -0.12 2.92 1.01 0.08 -2.21 120.40 127.84 1ulf s VAL 62 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 1ulf s VAL 62 Cb -0.14 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 1ulf s VAL 62 CO -0.06 0.45 -0.07 -0.36 0.00 0.00 0.00 175.10 175.06 1ulf s PHE 63 N 0.51 2.95 0.28 5.22 0.40 0.36 -0.66 117.98 127.03 1ulf s PHE 63 Ca 0.02 -0.24 -0.13 0.00 -0.60 0.00 0.00 56.93 55.99 1ulf s PHE 63 Cb -0.13 -1.84 0.05 0.00 0.51 0.00 0.00 43.02 41.61 1ulf s PHE 63 CO 0.01 0.07 0.65 -1.71 0.70 0.00 0.00 175.22 174.95 1ulf n ASN 64 N 3.02 -1.71 -3.86 1.36 2.85 -0.85 -1.48 115.26 114.59 1ulf n ASN 64 Ca -0.18 -2.14 -0.09 0.00 -0.11 0.00 0.00 54.58 52.06 1ulf n ASN 64 Cb 0.53 2.84 -0.05 0.00 1.24 0.00 0.00 39.78 44.34 1ulf n ASN 64 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1ulf s SER 65 N -2.67 -0.14 0.00 1.20 0.01 -1.26 -0.62 113.70 110.21 1ulf s SER 65 Ca 0.13 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1ulf s SER 65 Cb -0.04 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.74 1ulf s SER 65 CO 0.08 -1.04 0.00 -2.11 0.41 0.00 0.00 173.24 170.58 1ulf n ARG 66 N -0.32 0.00 -1.55 12.44 1.85 -0.91 -2.64 116.66 125.53 1ulf n ARG 66 Ca -0.07 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.45 1ulf n ARG 66 Cb 0.62 0.00 0.07 0.00 -1.05 0.00 0.00 32.46 32.10 1ulf n ARG 66 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1ulf s LEU 67 N 0.00 3.26 0.00 2.89 1.43 -1.26 -0.70 118.68 124.30 1ulf s LEU 67 Ca 0.00 1.99 -0.00 0.00 -1.03 0.00 0.00 54.13 55.08 1ulf s LEU 67 Cb 0.00 -4.55 -0.00 0.00 0.03 0.00 0.00 46.19 41.67 1ulf s LEU 67 CO 0.00 -1.85 0.02 1.17 0.23 0.00 0.00 176.35 175.92 1ulf n LYS 68 N -2.82 -0.00 -0.83 1.70 4.81 -1.25 0.47 118.16 120.24 1ulf n LYS 68 Ca 0.10 0.02 -0.01 0.00 -0.87 0.00 0.00 58.31 57.55 1ulf n LYS 68 Cb 0.52 -0.03 0.18 0.00 0.02 0.00 0.00 35.03 35.72 1ulf n LYS 68 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ulf n ASN 69 N -2.32 2.37 -2.20 3.14 4.13 -1.26 -4.91 115.26 114.20 1ulf n ASN 69 Ca 0.00 -3.86 -0.02 0.00 1.68 0.00 0.00 54.58 52.38 1ulf n ASN 69 Cb 0.00 -0.55 0.01 0.00 -1.54 0.00 0.00 39.78 37.71 1ulf n ASN 69 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ulf n GLY 70 N -1.08 0.18 3.82 7.41 0.00 0.18 -5.07 105.19 110.63 1ulf n GLY 70 Ca 0.27 -1.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 1ulf n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulf s ALA 71 N -3.15 3.57 0.53 4.61 0.00 -1.26 -4.76 121.76 121.29 1ulf s ALA 71 Ca 0.06 -0.02 -0.20 0.00 0.00 0.00 0.00 51.96 51.80 1ulf s ALA 71 Cb -0.00 -2.61 -0.06 0.00 0.00 0.00 0.00 23.12 20.45 1ulf s ALA 71 CO 0.04 0.41 1.16 -1.58 0.00 0.00 0.00 175.76 175.79 1ulf s TRP 72 N -1.26 2.68 0.00 0.00 0.52 -1.26 -4.59 118.94 115.04 1ulf s TRP 72 Ca 0.33 1.53 0.00 0.00 0.02 0.00 0.00 56.10 57.98 1ulf s TRP 72 Cb -0.18 -3.35 0.00 0.00 -1.15 0.00 0.00 33.47 28.79 1ulf s TRP 72 CO 0.19 -1.67 0.00 0.41 0.02 0.00 0.00 176.95 175.90 1ulf n GLY 73 N 0.30 0.65 3.77 0.98 0.00 -1.08 -5.01 105.19 104.81 1ulf n GLY 73 Ca 0.11 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 1ulf n GLY 73 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ulf s PRO 74 N -1.47 4.22 0.16 1.61 0.04 -1.26 -4.88 135.00 133.42 1ulf s PRO 74 Ca 0.00 2.41 -0.26 0.00 0.04 0.00 0.00 61.00 63.18 1ulf s PRO 74 Cb 0.00 -3.02 -0.08 0.00 0.04 0.00 0.00 34.50 31.45 1ulf s PRO 74 CO 0.00 -0.37 0.82 -1.21 0.04 0.00 0.00 177.00 176.27 1ulf s GLU 75 N -1.95 4.62 -0.31 4.56 2.02 -1.26 -4.80 118.70 121.58 1ulf s GLU 75 Ca 0.51 1.23 -0.02 0.00 0.02 0.00 0.00 54.97 56.70 1ulf s GLU 75 Cb -0.43 -3.29 0.05 0.00 0.10 0.00 0.00 34.13 30.56 1ulf s GLU 75 CO 0.58 0.50 0.02 -1.21 0.02 0.00 0.00 175.26 175.18 1ulf s GLU 76 N -0.94 2.43 0.27 1.61 2.02 -0.55 -4.95 118.70 118.59 1ulf s GLU 76 Ca 0.38 -1.28 0.10 0.00 0.02 0.00 0.00 54.97 54.19 1ulf s GLU 76 Cb -0.23 -3.23 -0.05 0.00 0.10 0.00 0.00 34.13 30.71 1ulf s GLU 76 CO 0.27 -0.65 -0.16 -0.98 0.02 0.00 0.00 175.26 173.77 1ulf s ARG 77 N 1.26 1.61 0.07 1.61 1.70 -1.26 -0.49 118.95 123.45 1ulf s ARG 77 Ca -0.04 -1.76 -0.03 0.00 -0.47 0.00 0.00 55.73 53.43 1ulf s ARG 77 Cb -0.20 -1.56 -0.03 0.00 -0.57 0.00 0.00 34.95 32.59 1ulf s ARG 77 CO -0.01 0.24 0.04 0.96 -1.08 0.00 0.00 175.30 175.45 1ulf s ILE 78 N -2.68 0.19 0.50 4.99 -4.36 -0.94 -4.97 121.20 113.93 1ulf s ILE 78 Ca 0.29 -1.65 -0.22 0.00 -0.26 0.00 0.00 60.65 58.81 1ulf s ILE 78 Cb -0.02 -1.51 -0.06 0.00 1.25 0.00 0.00 42.46 42.11 1ulf s ILE 78 CO 0.13 -0.86 1.19 -2.16 0.24 0.00 0.00 174.94 173.47 1ulf s PRO 79 N -3.91 3.55 0.11 0.37 0.04 -1.26 -0.85 135.00 133.03 1ulf s PRO 79 Ca 0.08 1.80 -0.00 0.00 0.04 0.00 0.00 61.00 62.92 1ulf s PRO 79 Cb 0.07 -2.28 -0.21 0.00 0.04 0.00 0.00 34.50 32.13 1ulf s PRO 79 CO -0.09 -0.74 1.23 -0.92 0.04 0.00 0.00 177.00 176.52 1ulf h TYR 80 N 1.73 0.34 -3.89 0.56 3.20 -1.32 -3.42 116.97 114.17 1ulf h TYR 80 Ca -0.50 -0.24 -0.56 0.00 3.14 0.00 0.00 58.73 60.57 1ulf h TYR 80 Cb 1.26 -0.02 0.16 0.00 1.54 0.00 0.00 36.73 39.67 1ulf h TYR 80 CO 0.51 1.15 0.35 0.00 -1.64 0.00 0.00 178.16 178.53 1ulf n ALA 81 N -2.48 0.72 -4.00 1.82 0.00 -1.26 -3.58 120.51 111.74 1ulf n ALA 81 Ca -0.05 -0.01 -0.28 0.00 0.00 0.00 0.00 53.44 53.10 1ulf n ALA 81 Cb 0.95 -2.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.16 1ulf n ALA 81 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ulf n GLU 82 N -1.57 -3.58 -0.02 0.00 1.02 -1.26 -4.87 120.64 110.36 1ulf n GLU 82 Ca 0.15 0.43 -0.03 0.00 -0.02 0.00 0.00 57.16 57.69 1ulf n GLU 82 Cb 0.48 -4.79 -0.02 0.00 -0.02 0.00 0.00 31.44 27.09 1ulf n GLU 82 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ulf n LYS 83 N -4.42 0.10 -4.08 3.49 4.76 -1.23 -4.48 118.16 112.29 1ulf n LYS 83 Ca -0.19 0.02 -0.35 0.00 -2.87 0.00 0.00 58.31 54.93 1ulf n LYS 83 Cb 0.63 -1.03 -0.07 0.00 -1.84 0.00 0.00 35.03 32.71 1ulf n LYS 83 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ulf s PHE 84 N -2.08 3.38 -0.26 2.13 0.40 -1.26 -0.60 117.98 119.68 1ulf s PHE 84 Ca -0.05 0.32 -0.05 0.00 -0.60 0.00 0.00 56.93 56.55 1ulf s PHE 84 Cb 0.01 -1.82 0.01 0.00 0.51 0.00 0.00 43.02 41.73 1ulf s PHE 84 CO 0.09 0.60 0.01 0.50 0.70 0.00 0.00 175.22 177.12 1ulf s ARG 85 N -1.33 3.10 0.67 0.44 3.52 -1.26 -4.92 118.95 119.18 1ulf s ARG 85 Ca 0.19 -0.82 -0.11 0.00 -0.13 0.00 0.00 55.73 54.85 1ulf s ARG 85 Cb -0.12 -3.18 -0.01 0.00 -1.56 0.00 0.00 34.95 30.08 1ulf s ARG 85 CO 0.08 -0.37 1.07 -1.25 -0.81 0.00 0.00 175.30 174.02 1ulf s PRO 86 N 1.45 3.16 0.00 5.12 0.04 -1.26 -2.00 135.00 141.51 1ulf s PRO 86 Ca 0.03 0.57 0.27 0.00 0.04 0.00 0.00 61.00 61.91 1ulf s PRO 86 Cb -0.16 -2.05 0.97 0.00 0.04 0.00 0.00 34.50 33.30 1ulf s PRO 86 CO -0.01 -0.84 1.70 -0.35 0.04 0.00 0.00 177.00 177.54 1ulf n PRO 87 N -2.89 0.71 -3.40 0.56 -0.04 -1.26 -4.87 135.00 123.82 1ulf n PRO 87 Ca 0.06 -0.34 -0.29 0.00 -0.04 0.00 0.00 63.50 62.89 1ulf n PRO 87 Cb 0.56 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 1ulf n PRO 87 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ulf n ASN 88 N -0.84 4.02 -4.73 3.54 5.03 -1.23 -2.49 115.26 118.56 1ulf n ASN 88 Ca 0.13 -3.44 -0.33 0.00 0.87 0.00 0.00 54.58 51.81 1ulf n ASN 88 Cb 0.32 -0.74 0.09 0.00 -1.02 0.00 0.00 39.78 38.43 1ulf n ASN 88 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1ulf s PRO 89 N -2.48 2.13 0.12 3.52 0.04 -0.84 -4.67 135.00 132.82 1ulf s PRO 89 Ca 0.38 1.64 -0.03 0.00 0.04 0.00 0.00 61.00 63.03 1ulf s PRO 89 Cb 0.13 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.80 1ulf s PRO 89 CO -0.01 -1.82 0.09 -1.54 0.04 0.00 0.00 177.00 173.77 1ulf s SER 90 N -2.27 0.28 -0.03 6.66 1.04 -1.26 -1.49 113.70 116.63 1ulf s SER 90 Ca 0.71 -1.05 -0.01 0.00 0.48 0.00 0.00 55.95 56.08 1ulf s SER 90 Cb -0.26 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.19 1ulf s SER 90 CO 0.47 -0.73 0.04 -0.63 0.98 0.00 0.00 173.24 173.36 1ulf s ILE 91 N -3.99 -0.07 -0.11 -1.02 1.01 0.25 -3.85 121.20 113.42 1ulf s ILE 91 Ca 0.17 0.29 0.04 0.00 0.00 0.00 0.00 60.65 61.16 1ulf s ILE 91 Cb 0.07 -0.12 0.00 0.00 0.01 0.00 0.00 42.46 42.42 1ulf s ILE 91 CO -0.02 0.13 -0.23 -0.89 0.00 0.00 0.00 174.94 173.92 1ulf s THR 92 N 1.49 2.05 -0.09 2.92 2.01 0.63 0.03 115.64 124.68 1ulf s THR 92 Ca -0.04 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 60.99 1ulf s THR 92 Cb -0.13 -1.78 0.01 0.00 0.01 0.00 0.00 72.50 70.61 1ulf s THR 92 CO -0.03 0.56 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.57 1ulf s VAL 93 N 0.46 1.77 -0.06 3.82 1.01 -0.51 0.34 120.40 127.23 1ulf s VAL 93 Ca -0.16 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.01 1ulf s VAL 93 Cb -0.17 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.65 1ulf s VAL 93 CO 0.06 0.50 -0.19 -0.63 0.00 0.00 0.00 175.10 174.84 1ulf s ILE 94 N 0.50 1.60 -0.31 2.22 1.01 -0.14 -0.79 121.20 125.29 1ulf s ILE 94 Ca -0.16 -0.78 -0.20 0.00 0.00 0.00 0.00 60.65 59.51 1ulf s ILE 94 Cb -0.17 -1.39 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 1ulf s ILE 94 CO 0.06 0.46 0.60 -0.62 0.00 0.00 0.00 174.94 175.44 1ulf s ASP 95 N 0.25 6.46 -0.24 3.58 -1.08 -0.78 -1.03 116.67 123.82 1ulf s ASP 95 Ca -0.10 0.37 0.14 0.00 -0.52 0.00 0.00 52.55 52.44 1ulf s ASP 95 Cb -0.15 -2.31 0.67 0.00 -1.46 0.00 0.00 42.92 39.67 1ulf s ASP 95 CO 0.04 -0.46 1.61 1.41 0.52 0.00 0.00 175.17 178.30 1ulf n HIS 96 N 5.82 1.65 0.00 -5.34 8.25 0.26 -1.17 115.22 124.69 1ulf n HIS 96 Ca -0.02 -0.96 0.00 0.00 -0.26 0.00 0.00 57.72 56.48 1ulf n HIS 96 Cb 0.49 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.12 1ulf n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ulf n GLY 97 N -0.14 2.04 0.87 -1.41 0.00 -1.26 -4.30 105.19 100.98 1ulf n GLY 97 Ca 0.29 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1ulf n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ulf n ASP 98 N 3.95 2.80 -3.63 1.61 5.68 -1.26 -4.92 116.55 120.78 1ulf n ASP 98 Ca 0.00 -1.90 -0.06 0.00 -0.50 0.00 0.00 54.79 52.33 1ulf n ASP 98 Cb 0.00 0.08 -0.02 0.00 -1.14 0.00 0.00 41.12 40.04 1ulf n ASP 98 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ulf s ARG 99 N -2.08 1.01 -0.01 0.11 1.70 -1.26 -1.82 118.95 116.59 1ulf s ARG 99 Ca 0.27 -0.49 0.01 0.00 -0.47 0.00 0.00 55.73 55.05 1ulf s ARG 99 Cb 0.20 0.39 -0.04 0.00 -0.57 0.00 0.00 34.95 34.93 1ulf s ARG 99 CO 0.35 -0.46 -0.00 -0.06 -1.08 0.00 0.00 175.30 174.05 1ulf s PHE 100 N -3.20 3.08 -0.18 5.89 0.40 0.93 -0.58 117.98 124.33 1ulf s PHE 100 Ca 0.09 0.09 -0.03 0.00 -0.60 0.00 0.00 56.93 56.48 1ulf s PHE 100 Cb -0.01 -1.69 -0.02 0.00 0.51 0.00 0.00 43.02 41.82 1ulf s PHE 100 CO -0.03 0.46 -0.06 -1.14 0.70 0.00 0.00 175.22 175.14 1ulf s GLN 101 N -1.45 3.48 -0.12 0.44 0.74 -0.20 -0.78 119.66 121.78 1ulf s GLN 101 Ca 0.19 -0.60 0.02 0.00 0.05 0.00 0.00 55.36 55.01 1ulf s GLN 101 Cb -0.11 -2.88 -0.01 0.00 1.10 0.00 0.00 33.01 31.10 1ulf s GLN 101 CO 0.09 0.05 -0.18 0.42 -0.55 0.00 0.00 175.29 175.13 1ulf s ILE 102 N 0.82 2.63 -0.07 -2.34 1.09 0.13 -0.97 121.20 122.49 1ulf s ILE 102 Ca -0.02 -0.81 0.04 0.00 -1.10 0.00 0.00 60.65 58.76 1ulf s ILE 102 Cb -0.15 -2.07 -0.00 0.00 -1.06 0.00 0.00 42.46 39.18 1ulf s ILE 102 CO 0.01 0.54 -0.21 -0.13 -0.10 0.00 0.00 174.94 175.05 1ulf s ARG 103 N 0.34 2.51 0.12 2.79 1.81 0.15 -0.48 118.95 126.20 1ulf s ARG 103 Ca -0.14 -0.77 0.01 0.00 -1.72 0.00 0.00 55.73 53.11 1ulf s ARG 103 Cb -0.17 -2.01 0.01 0.00 -0.45 0.00 0.00 34.95 32.34 1ulf s ARG 103 CO 0.07 0.22 0.11 1.19 -0.68 0.00 0.00 175.30 176.21 1ulf n PHE 104 N 3.36 -1.59 -0.15 -0.53 3.01 -1.26 -0.27 117.46 120.02 1ulf n PHE 104 Ca -0.19 -0.51 -0.12 0.00 1.01 0.00 0.00 57.45 57.64 1ulf n PHE 104 Cb 0.53 -0.10 -0.01 0.00 -0.01 0.00 0.00 39.48 39.88 1ulf n PHE 104 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1ulf h ASP 105 N 0.12 0.96 -2.17 4.37 3.32 -1.36 -3.46 116.42 118.20 1ulf h ASP 105 Ca -0.07 -0.40 -0.61 0.00 0.02 0.00 0.00 57.03 55.97 1ulf h ASP 105 Cb 0.28 -0.26 -0.13 0.00 0.22 0.00 0.00 39.33 39.43 1ulf h ASP 105 CO 0.12 1.14 -0.74 -0.31 -1.72 0.00 0.00 179.24 177.73 1ulf s TYR 106 N -4.66 2.35 0.00 4.55 4.12 0.23 -4.95 117.35 118.99 1ulf s TYR 106 Ca -0.12 -0.34 0.00 0.00 0.02 0.00 0.00 57.07 56.63 1ulf s TYR 106 Cb 0.11 -1.06 0.00 0.00 -1.52 0.00 0.00 41.96 39.49 1ulf s TYR 106 CO 0.86 0.69 0.00 0.41 0.02 0.00 0.00 175.55 177.53 1ulf n GLY 107 N -0.67 -2.41 3.96 0.71 0.00 -1.26 -4.69 105.19 100.82 1ulf n GLY 107 Ca -0.05 -1.68 -0.22 0.00 0.00 0.00 0.00 46.02 44.07 1ulf n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ulf s THR 108 N -0.44 3.10 0.83 2.61 -4.23 -1.26 -4.92 115.64 111.33 1ulf s THR 108 Ca 0.00 -0.52 -0.11 0.00 -1.18 0.00 0.00 61.69 59.88 1ulf s THR 108 Cb 0.00 -3.18 0.09 0.00 1.34 0.00 0.00 72.50 70.75 1ulf s THR 108 CO 0.00 -0.14 1.10 -0.44 -0.54 0.00 0.00 174.62 174.60 1ulf s SER 109 N -4.36 3.96 -0.11 3.99 0.01 -1.26 -4.81 113.70 111.11 1ulf s SER 109 Ca 0.55 1.81 0.00 0.00 1.31 0.00 0.00 55.95 59.62 1ulf s SER 109 Cb -0.10 -2.46 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 1ulf s SER 109 CO 0.39 -2.38 -0.11 -0.63 0.41 0.00 0.00 173.24 170.92 1ulf s ILE 110 N -2.86 3.24 -0.17 1.44 1.09 0.37 -4.93 121.20 119.38 1ulf s ILE 110 Ca 0.63 -0.62 -0.02 0.00 -1.10 0.00 0.00 60.65 59.54 1ulf s ILE 110 Cb -0.18 -2.34 -0.01 0.00 -1.06 0.00 0.00 42.46 38.86 1ulf s ILE 110 CO 0.57 0.55 -0.09 -0.31 -0.10 0.00 0.00 174.94 175.55 1ulf s TYR 111 N -0.05 2.89 -0.23 3.97 1.51 -1.26 0.20 117.35 124.38 1ulf s TYR 111 Ca -0.02 -0.75 0.02 0.00 -1.01 0.00 0.00 57.07 55.30 1ulf s TYR 111 Cb -0.14 -1.96 0.05 0.00 -0.11 0.00 0.00 41.96 39.81 1ulf s TYR 111 CO 0.04 -0.34 -0.09 -0.47 -1.11 0.00 0.00 175.55 173.58 1ulf s TYR 112 N 0.81 2.70 0.36 2.71 5.04 0.04 -4.96 117.35 124.05 1ulf s TYR 112 Ca -0.03 -1.90 -0.28 0.00 -2.44 0.00 0.00 57.07 52.42 1ulf s TYR 112 Cb -0.15 -1.72 -0.10 0.00 0.35 0.00 0.00 41.96 40.34 1ulf s TYR 112 CO 0.01 -0.80 1.34 -0.80 -1.34 0.00 0.00 175.55 173.96 1ulf s ASN 113 N 1.30 6.57 0.64 4.32 0.01 -1.26 -0.05 114.94 126.46 1ulf s ASN 113 Ca -0.05 2.76 -0.17 0.00 -0.71 0.00 0.00 52.86 54.68 1ulf s ASN 113 Cb -0.18 -2.65 -0.01 0.00 0.41 0.00 0.00 41.25 38.82 1ulf s ASN 113 CO -0.06 -0.69 1.20 -0.54 -1.51 0.00 0.00 177.10 175.50 1ulf s LYS 114 N -1.97 2.68 0.00 -0.60 1.02 -0.76 -4.85 119.74 115.26 1ulf s LYS 114 Ca 0.52 1.77 0.00 0.00 0.02 0.00 0.00 55.97 58.27 1ulf s LYS 114 Cb -0.41 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 1ulf s LYS 114 CO 0.54 -1.42 0.00 0.54 -0.92 0.00 0.00 175.35 174.09 1ulf n ARG 115 N -2.04 3.26 -3.83 1.68 1.74 -1.26 -4.98 116.66 111.23 1ulf n ARG 115 Ca 0.13 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.94 1ulf n ARG 115 Cb 0.50 -0.50 -0.17 0.00 -1.02 0.00 0.00 32.46 31.27 1ulf n ARG 115 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ulf s ILE 116 N -0.76 0.81 -1.27 0.55 1.01 -1.26 -5.07 121.20 115.21 1ulf s ILE 116 Ca 0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 60.65 60.03 1ulf s ILE 116 Cb 0.00 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.44 1ulf s ILE 116 CO 0.00 0.09 1.88 0.29 0.00 0.00 0.00 174.94 177.20 1ulf n LYS 117 N 4.98 2.70 -3.65 2.79 4.76 -1.26 -4.83 118.16 123.64 1ulf n LYS 117 Ca -0.10 -2.89 -0.12 0.00 -2.87 0.00 0.00 58.31 52.33 1ulf n LYS 117 Cb 0.48 -3.46 -0.06 0.00 -1.84 0.00 0.00 35.03 30.15 1ulf n LYS 117 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1ulf s GLU 118 N 4.53 0.95 0.37 1.97 2.02 -1.26 -5.17 118.70 122.11 1ulf s GLU 118 Ca 0.56 -0.41 0.01 0.00 0.02 0.00 0.00 54.97 55.14 1ulf s GLU 118 Cb 0.06 0.42 -0.03 0.00 0.10 0.00 0.00 34.13 34.69 1ulf s GLU 118 CO 0.06 -0.34 0.57 -0.80 0.02 0.00 0.00 175.26 174.78 1ulf s ASN 119 N -2.14 6.21 -0.03 -0.19 0.01 -1.26 -5.01 114.94 112.52 1ulf s ASN 119 Ca -0.04 0.41 -0.21 0.00 -0.71 0.00 0.00 52.86 52.32 1ulf s ASN 119 Cb -0.00 -1.93 -0.05 0.00 0.41 0.00 0.00 41.25 39.68 1ulf s ASN 119 CO -0.04 -0.38 0.60 0.00 -1.51 0.00 0.00 177.10 175.78 1ulf s ALA 120 N -2.36 3.45 -0.35 0.60 0.00 -0.80 -4.33 121.76 117.96 1ulf s ALA 120 Ca 0.42 0.03 0.21 0.00 0.00 0.00 0.00 51.96 52.61 1ulf s ALA 120 Cb -0.10 -2.78 -0.29 0.00 0.00 0.00 0.00 23.12 19.95 1ulf s ALA 120 CO 0.36 0.08 0.60 0.00 0.00 0.00 0.00 175.76 176.80 1ulf n ALA 121 N 3.09 3.42 -2.96 0.00 0.00 0.10 -0.52 120.51 123.64 1ulf n ALA 121 Ca -0.06 -0.52 -0.10 0.00 0.00 0.00 0.00 53.44 52.76 1ulf n ALA 121 Cb 0.51 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 19.19 1ulf n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ulf s ALA 122 N -3.27 -0.71 -0.11 0.00 0.00 -0.96 -1.01 121.76 115.71 1ulf s ALA 122 Ca -0.02 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.67 1ulf s ALA 122 Cb 0.14 0.72 0.02 0.00 0.00 0.00 0.00 23.12 24.00 1ulf s ALA 122 CO 0.86 -0.66 -0.13 0.42 0.00 0.00 0.00 175.76 176.25 1ulf s ILE 123 N -3.85 1.35 0.18 0.00 1.01 -0.99 -0.76 121.20 118.13 1ulf s ILE 123 Ca 0.06 -0.54 0.08 0.00 0.00 0.00 0.00 60.65 60.25 1ulf s ILE 123 Cb 0.02 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1ulf s ILE 123 CO -0.08 0.41 -0.04 0.00 0.00 0.00 0.00 174.94 175.23 1ulf s ALA 124 N 1.12 3.09 -0.11 9.38 0.00 0.03 -1.35 121.76 133.92 1ulf s ALA 124 Ca -0.05 -1.41 -0.01 0.00 0.00 0.00 0.00 51.96 50.50 1ulf s ALA 124 Cb -0.14 -0.88 0.03 0.00 0.00 0.00 0.00 23.12 22.12 1ulf s ALA 124 CO -0.03 0.48 -0.03 -0.47 0.00 0.00 0.00 175.76 175.70 1ulf s TYR 125 N -1.71 1.16 -0.02 0.00 5.04 -0.44 -1.24 117.35 120.13 1ulf s TYR 125 Ca 0.26 -0.57 0.07 0.00 -2.44 0.00 0.00 57.07 54.39 1ulf s TYR 125 Cb -0.09 -1.06 -0.02 0.00 0.35 0.00 0.00 41.96 41.14 1ulf s TYR 125 CO 0.17 -0.46 -0.22 -0.80 -1.34 0.00 0.00 175.55 172.90 1ulf s ASN 126 N 1.81 2.53 -0.30 4.32 0.01 0.42 0.17 114.94 123.91 1ulf s ASN 126 Ca 0.04 -0.39 -0.24 0.00 -0.71 0.00 0.00 52.86 51.56 1ulf s ASN 126 Cb -0.13 -0.29 0.20 0.00 0.41 0.00 0.00 41.25 41.44 1ulf s ASN 126 CO -0.07 0.26 1.47 0.00 -1.51 0.00 0.00 177.10 177.25 1ulf s ALA 127 N -0.50 -2.27 -0.04 0.60 0.00 -1.26 0.41 121.76 118.69 1ulf s ALA 127 Ca 0.08 1.68 0.06 0.00 0.00 0.00 0.00 51.96 53.78 1ulf s ALA 127 Cb -0.08 -1.82 -0.24 0.00 0.00 0.00 0.00 23.12 20.97 1ulf s ALA 127 CO -0.01 -0.10 0.69 1.49 0.00 0.00 0.00 175.76 177.83 1ulf h GLU 128 N 3.18 0.09 -1.46 0.00 4.57 -1.95 -3.41 114.58 115.60 1ulf h GLU 128 Ca -0.27 -0.16 -0.45 0.00 -1.18 0.00 0.00 59.36 57.30 1ulf h GLU 128 Cb 1.20 0.06 -0.32 0.00 -0.16 0.00 0.00 28.75 29.52 1ulf h GLU 128 CO 0.19 0.78 -0.96 -1.71 -1.18 0.00 0.00 179.01 176.13 1ulf n ASN 129 N -3.22 -0.50 -4.39 1.04 5.15 -1.26 -5.07 115.26 107.01 1ulf n ASN 129 Ca -0.18 -2.95 -0.44 0.00 -0.60 0.00 0.00 54.58 50.42 1ulf n ASN 129 Cb 1.04 0.04 -0.01 0.00 -0.53 0.00 0.00 39.78 40.32 1ulf n ASN 129 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1ulf n SER 130 N 1.17 -1.55 0.20 1.20 2.88 -1.26 -0.81 113.62 115.45 1ulf n SER 130 Ca 0.18 0.95 0.09 0.00 -1.33 0.00 0.00 58.87 58.76 1ulf n SER 130 Cb 0.59 -1.00 0.19 0.00 -0.75 0.00 0.00 64.21 63.23 1ulf n SER 130 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1ulf h LEU 131 N 0.76 0.00 0.00 2.46 5.85 -1.82 -3.43 115.31 119.13 1ulf h LEU 131 Ca -0.36 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 57.79 1ulf h LEU 131 Cb 1.42 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.37 1ulf h LEU 131 CO 0.52 0.18 -0.36 0.49 -0.34 0.00 0.00 178.44 178.94 1ulf n PHE 132 N -3.17 0.29 -1.99 1.25 0.99 -1.26 -0.69 117.46 112.88 1ulf n PHE 132 Ca 0.03 -2.24 -0.29 0.00 -0.00 0.00 0.00 57.45 54.95 1ulf n PHE 132 Cb 0.57 -0.36 0.07 0.00 -1.00 0.00 0.00 39.48 38.76 1ulf n PHE 132 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1ulf s SER 133 N -3.76 4.98 -0.14 4.37 1.04 -1.26 -4.83 113.70 114.09 1ulf s SER 133 Ca 0.13 0.84 -0.01 0.00 0.48 0.00 0.00 55.95 57.39 1ulf s SER 133 Cb -0.01 -1.51 0.04 0.00 0.10 0.00 0.00 66.02 64.64 1ulf s SER 133 CO 0.08 -1.58 -0.02 -0.55 0.98 0.00 0.00 173.24 172.14 1ulf s SER 134 N -4.47 2.45 0.81 7.02 0.15 -1.26 -3.88 113.70 114.52 1ulf s SER 134 Ca 0.60 -0.50 -0.02 0.00 0.70 0.00 0.00 55.95 56.72 1ulf s SER 134 Cb -0.11 -0.72 0.04 0.00 -1.71 0.00 0.00 66.02 63.52 1ulf s SER 134 CO 0.49 -0.20 0.26 -0.81 1.20 0.00 0.00 173.24 174.17 1ulf n PRO 135 N 4.99 -0.01 -4.28 5.44 -0.04 -1.26 -4.94 135.00 134.90 1ulf n PRO 135 Ca -0.10 -0.49 -0.29 0.00 -0.04 0.00 0.00 63.50 62.58 1ulf n PRO 135 Cb 0.48 -0.24 -0.10 0.00 -0.04 0.00 0.00 33.50 33.60 1ulf n PRO 135 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ulf s VAL 136 N -1.21 3.10 -0.04 0.52 -7.23 -0.61 -4.69 120.40 110.24 1ulf s VAL 136 Ca 0.15 -1.48 -0.24 0.00 -1.81 0.00 0.00 61.98 58.60 1ulf s VAL 136 Cb -0.01 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 1ulf s VAL 136 CO 0.11 0.04 0.72 -0.89 -0.31 0.00 0.00 175.10 174.77 1ulf s THR 137 N -1.33 4.97 -0.14 5.32 2.01 0.93 -2.12 115.64 125.28 1ulf s THR 137 Ca 0.21 1.50 -0.01 0.00 0.31 0.00 0.00 61.69 63.70 1ulf s THR 137 Cb -0.10 -4.06 0.04 0.00 0.01 0.00 0.00 72.50 68.38 1ulf s THR 137 CO 0.13 0.28 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.62 1ulf s VAL 138 N 0.58 0.78 -0.24 3.82 1.01 0.05 -0.07 120.40 126.33 1ulf s VAL 138 Ca 0.38 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 1ulf s VAL 138 Cb -0.18 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1ulf s VAL 138 CO 0.20 0.14 0.05 -1.81 0.00 0.00 0.00 175.10 173.67 1ulf s ASP 139 N 1.78 4.99 -0.21 3.32 1.01 -0.87 0.68 116.67 127.37 1ulf s ASP 139 Ca 0.02 -0.23 -0.05 0.00 0.71 0.00 0.00 52.55 53.01 1ulf s ASP 139 Cb -0.14 -1.89 -0.02 0.00 1.01 0.00 0.00 42.92 41.88 1ulf s ASP 139 CO -0.07 -0.02 -0.01 -0.69 0.21 0.00 0.00 175.17 174.59 1ulf s VAL 140 N 1.50 3.72 -0.01 -1.27 1.01 0.31 -0.80 120.40 124.87 1ulf s VAL 140 Ca 0.06 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 1ulf s VAL 140 Cb -0.15 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1ulf s VAL 140 CO 0.02 0.42 0.08 -1.00 0.00 0.00 0.00 175.10 174.62 1ulf s HIS 141 N 1.25 3.29 -0.74 5.22 3.76 0.13 -2.11 115.29 126.09 1ulf s HIS 141 Ca 0.03 0.22 0.26 0.00 -0.15 0.00 0.00 55.06 55.42 1ulf s HIS 141 Cb -0.15 -1.75 0.84 0.00 1.11 0.00 0.00 32.58 32.64 1ulf s HIS 141 CO 0.00 0.55 1.78 0.41 -0.85 0.00 0.00 174.74 176.64 1ulf n GLY 142 N 1.23 -1.69 3.55 -2.22 0.00 -1.26 -1.12 105.19 103.68 1ulf n GLY 142 Ca -0.13 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 1ulf n GLY 142 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ulf s LEU 143 N -4.45 -0.32 0.04 0.99 2.34 -1.23 -3.70 118.68 112.35 1ulf s LEU 143 Ca 0.11 0.16 -0.36 0.00 0.06 0.00 0.00 54.13 54.10 1ulf s LEU 143 Cb 0.13 1.81 -0.15 0.00 -0.56 0.00 0.00 46.19 47.42 1ulf s LEU 143 CO 0.59 -0.42 1.58 -0.11 -1.06 0.00 0.00 176.35 176.93 1ulf n LEU 144 N 0.20 2.63 -4.92 1.48 7.94 -1.25 -4.88 117.00 118.20 1ulf n LEU 144 Ca -0.07 1.07 -0.26 0.00 -1.11 0.00 0.00 56.01 55.64 1ulf n LEU 144 Cb 0.59 -1.31 0.02 0.00 0.53 0.00 0.00 43.42 43.26 1ulf n LEU 144 CO 0.12 -0.49 0.47 -2.16 -1.11 0.00 0.00 177.39 174.22 1ulf s PRO 145 N 1.70 3.02 0.26 1.96 0.04 -1.26 -5.02 135.00 135.70 1ulf s PRO 145 Ca 0.86 -0.08 -0.30 0.00 0.04 0.00 0.00 61.00 61.51 1ulf s PRO 145 Cb -0.81 -2.34 -0.14 0.00 0.04 0.00 0.00 34.50 31.25 1ulf s PRO 145 CO 0.47 -0.56 1.30 -2.30 0.04 0.00 0.00 177.00 175.95 1ulf n PRO 146 N -2.45 1.86 -3.78 0.56 -0.02 -1.26 -4.96 135.00 124.94 1ulf n PRO 146 Ca 0.03 0.66 -0.33 0.00 -2.02 0.00 0.00 63.50 61.84 1ulf n PRO 146 Cb 0.57 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.76 1ulf n PRO 146 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ulf s LEU 147 N -0.02 4.35 0.63 2.45 1.43 -1.26 -5.09 118.68 121.16 1ulf s LEU 147 Ca 0.65 0.50 -0.13 0.00 -1.03 0.00 0.00 54.13 54.12 1ulf s LEU 147 Cb -0.66 -2.86 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 1ulf s LEU 147 CO 0.54 0.19 1.04 -2.16 0.23 0.00 0.00 176.35 176.19 1ulf s PRO 148 N -2.11 3.34 0.60 1.29 0.04 -1.26 -4.92 135.00 131.97 1ulf s PRO 148 Ca 0.32 0.95 0.31 0.00 0.04 0.00 0.00 61.00 62.62 1ulf s PRO 148 Cb -0.13 -2.04 1.88 0.00 0.04 0.00 0.00 34.50 34.25 1ulf s PRO 148 CO 0.20 -0.78 2.26 -1.00 0.04 0.00 0.00 177.00 177.72 1ulf h PRO 149 N -0.14 0.00 0.00 0.56 0.13 -2.06 -3.56 132.00 126.92 1ulf h PRO 149 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ulf h PRO 149 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ulf h PRO 149 CO 0.59 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.36