#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ule s LEU 2 N 0.00 4.37 0.05 -0.89 2.96 -1.26 -0.69 118.68 123.22 1ule s LEU 2 Ca 0.00 0.68 0.03 0.00 -0.22 0.00 0.00 54.13 54.62 1ule s LEU 2 Cb 0.00 -2.39 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 1ule s LEU 2 CO 0.00 0.26 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.89 1ule s TYR 3 N -0.49 0.75 -0.36 5.38 1.51 0.15 -5.00 117.35 119.29 1ule s TYR 3 Ca 0.19 -0.51 -0.03 0.00 -1.01 0.00 0.00 57.07 55.71 1ule s TYR 3 Cb -0.14 -0.44 0.08 0.00 -0.11 0.00 0.00 41.96 41.35 1ule s TYR 3 CO 0.08 -0.07 0.12 -1.01 -1.11 0.00 0.00 175.55 173.55 1ule s HIS 4 N -1.47 3.45 -0.46 2.71 3.76 -1.26 -1.22 115.29 120.80 1ule s HIS 4 Ca -0.08 -2.15 -0.20 0.00 -0.15 0.00 0.00 55.06 52.48 1ule s HIS 4 Cb -0.09 -2.72 0.03 0.00 1.11 0.00 0.00 32.58 30.90 1ule s HIS 4 CO 0.00 -0.89 0.64 -1.17 -0.85 0.00 0.00 174.74 172.48 1ule s LEU 5 N 1.20 4.60 0.37 0.89 2.96 -0.79 -4.89 118.68 123.02 1ule s LEU 5 Ca 0.03 -0.48 -0.18 0.00 -0.22 0.00 0.00 54.13 53.28 1ule s LEU 5 Cb -0.21 -2.65 -0.10 0.00 0.50 0.00 0.00 46.19 43.73 1ule s LEU 5 CO -0.03 -0.81 0.83 -0.36 -1.32 0.00 0.00 176.35 174.66 1ule s PHE 6 N 2.80 3.35 0.47 5.38 0.40 -1.26 -1.02 117.98 128.10 1ule s PHE 6 Ca 0.21 1.38 -0.24 0.00 -0.60 0.00 0.00 56.93 57.68 1ule s PHE 6 Cb -0.15 -2.67 -0.07 0.00 0.51 0.00 0.00 43.02 40.64 1ule s PHE 6 CO 0.17 0.01 1.38 0.54 0.70 0.00 0.00 175.22 178.02 1ule s VAL 7 N -2.06 2.19 -1.42 -0.44 0.11 -1.26 -2.50 120.40 115.02 1ule s VAL 7 Ca 0.57 0.16 -0.09 0.00 -2.93 0.00 0.00 61.98 59.70 1ule s VAL 7 Cb -0.10 -3.09 0.04 0.00 -1.53 0.00 0.00 36.38 31.70 1ule s VAL 7 CO 0.16 0.02 0.99 0.59 -3.33 0.00 0.00 175.10 173.52 1ule n ASN 8 N -0.39 -4.31 -0.70 3.54 3.02 0.39 -4.94 115.26 111.87 1ule n ASN 8 Ca 0.06 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 1ule n ASN 8 Cb 0.43 -4.31 0.00 0.00 -0.61 0.00 0.00 39.78 35.29 1ule n ASN 8 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ule n ASN 9 N -2.95 0.00 -3.53 6.41 4.05 -1.03 -5.01 115.26 113.20 1ule n ASN 9 Ca -0.06 -0.70 -0.09 0.00 0.45 0.00 0.00 54.58 54.19 1ule n ASN 9 Cb 0.57 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.57 1ule n ASN 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ule s GLN 10 N -1.09 1.91 -0.03 1.20 -2.07 -1.26 -1.62 119.66 116.69 1ule s GLN 10 Ca 0.00 -1.25 0.03 0.00 -1.82 0.00 0.00 55.36 52.32 1ule s GLN 10 Cb 0.00 0.58 0.00 0.00 -1.09 0.00 0.00 33.01 32.50 1ule s GLN 10 CO 0.00 -0.86 -0.11 0.14 -1.32 0.00 0.00 175.29 173.14 1ule s VAL 11 N -3.34 0.91 -0.21 3.63 -7.23 -0.51 -4.82 120.40 108.83 1ule s VAL 11 Ca 0.16 -0.42 -0.20 0.00 -1.81 0.00 0.00 61.98 59.71 1ule s VAL 11 Cb -0.04 -0.81 -0.03 0.00 0.56 0.00 0.00 36.38 36.06 1ule s VAL 11 CO 0.10 0.28 0.59 -0.75 -0.31 0.00 0.00 175.10 175.01 1ule s LYS 12 N 0.21 4.18 0.32 4.82 2.20 -1.26 -2.12 119.74 128.08 1ule s LYS 12 Ca -0.04 0.53 -0.28 0.00 -0.36 0.00 0.00 55.97 55.82 1ule s LYS 12 Cb -0.10 -3.59 -0.09 0.00 -1.51 0.00 0.00 37.83 32.54 1ule s LYS 12 CO 0.01 -0.25 1.12 -0.51 -0.36 0.00 0.00 175.35 175.36 1ule s LEU 13 N 1.96 4.44 0.35 5.43 1.43 -0.11 -4.93 118.68 127.25 1ule s LEU 13 Ca 0.26 2.28 0.11 0.00 -1.03 0.00 0.00 54.13 55.75 1ule s LEU 13 Cb -0.16 -3.76 0.65 0.00 0.03 0.00 0.00 46.19 42.95 1ule s LEU 13 CO 0.10 -0.29 1.79 -0.61 0.23 0.00 0.00 176.35 177.57 1ule h GLN 14 N 3.44 0.07 -5.27 1.70 5.75 -1.96 -3.44 115.11 115.41 1ule h GLN 14 Ca -0.47 -0.03 -0.38 0.00 -0.15 0.00 0.00 58.65 57.62 1ule h GLN 14 Cb 1.22 -0.00 -0.17 0.00 1.07 0.00 0.00 27.48 29.59 1ule h GLN 14 CO 0.66 0.44 -0.74 -0.80 -2.65 0.00 0.00 178.83 175.73 1ule s ASN 15 N -6.91 1.90 0.27 -0.69 -0.87 -1.26 -5.13 114.94 102.26 1ule s ASN 15 Ca -0.03 -0.88 -0.29 0.00 -1.57 0.00 0.00 52.86 50.08 1ule s ASN 15 Cb 0.14 -0.05 -0.10 0.00 -0.02 0.00 0.00 41.25 41.23 1ule s ASN 15 CO 0.74 -0.21 1.32 -1.81 -2.57 0.00 0.00 177.10 174.56 1ule s ASP 16 N -2.70 6.82 -0.45 -1.22 1.01 -1.26 -4.89 116.67 113.97 1ule s ASP 16 Ca 0.11 2.57 -0.29 0.00 0.71 0.00 0.00 52.55 55.65 1ule s ASP 16 Cb -0.02 -2.63 0.03 0.00 1.01 0.00 0.00 42.92 41.30 1ule s ASP 16 CO 0.02 -0.54 1.12 0.12 0.21 0.00 0.00 175.17 176.11 1ule s PHE 17 N -0.54 2.88 0.27 4.23 5.36 0.72 -4.90 117.98 125.99 1ule s PHE 17 Ca 0.53 0.78 0.05 0.00 -0.96 0.00 0.00 56.93 57.33 1ule s PHE 17 Cb -0.39 -4.29 -0.02 0.00 -0.34 0.00 0.00 43.02 37.98 1ule s PHE 17 CO 0.46 -1.18 0.18 0.36 -1.46 0.00 0.00 175.22 173.57 1ule n LYS 18 N 7.65 0.43 -1.52 10.12 2.85 -1.26 -1.91 118.16 134.53 1ule n LYS 18 Ca 0.12 -2.54 -0.50 0.00 -1.05 0.00 0.00 58.31 54.33 1ule n LYS 18 Cb 0.49 1.83 -0.04 0.00 -0.65 0.00 0.00 35.03 36.66 1ule n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1ule n PRO 19 N -0.55 0.63 0.00 -1.58 -0.02 -1.26 -0.04 135.00 132.19 1ule n PRO 19 Ca 0.02 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1ule n PRO 19 Cb 0.46 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 1ule n PRO 19 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ule n GLU 20 N 1.44 0.00 -2.05 -0.52 -0.58 0.72 -4.97 120.64 114.67 1ule n GLU 20 Ca 0.16 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.54 1ule n GLU 20 Cb 0.22 -0.75 0.02 0.00 -0.57 0.00 0.00 31.44 30.36 1ule n GLU 20 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1ule s SER 21 N -1.55 5.42 -0.03 1.62 0.01 0.95 -3.52 113.70 116.59 1ule s SER 21 Ca 0.00 2.40 0.01 0.00 1.31 0.00 0.00 55.95 59.67 1ule s SER 21 Cb 0.00 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.65 1ule s SER 21 CO 0.00 -1.44 -0.03 -0.69 0.41 0.00 0.00 173.24 171.49 1ule s VAL 22 N -1.57 0.40 -0.19 3.43 1.01 -0.45 -1.56 120.40 121.48 1ule s VAL 22 Ca 0.74 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.66 1ule s VAL 22 Cb -0.31 -0.43 0.04 0.00 0.00 0.00 0.00 36.38 35.67 1ule s VAL 22 CO 0.34 0.18 -0.13 0.00 0.00 0.00 0.00 175.10 175.50 1ule s ALA 23 N 0.78 2.07 -0.37 5.51 0.00 0.38 -0.02 121.76 130.12 1ule s ALA 23 Ca -0.09 -1.18 -0.10 0.00 0.00 0.00 0.00 51.96 50.59 1ule s ALA 23 Cb -0.13 -1.23 0.03 0.00 0.00 0.00 0.00 23.12 21.79 1ule s ALA 23 CO -0.00 -0.66 0.18 0.00 0.00 0.00 0.00 175.76 175.28 1ule s ALA 24 N 1.38 3.21 -0.20 0.00 0.00 0.01 -0.96 121.76 125.20 1ule s ALA 24 Ca 0.01 -1.73 -0.11 0.00 0.00 0.00 0.00 51.96 50.12 1ule s ALA 24 Cb -0.15 -2.51 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 1ule s ALA 24 CO -0.09 -1.38 0.17 0.42 0.00 0.00 0.00 175.76 174.88 1ule s ILE 25 N 1.51 5.37 -0.02 0.00 1.01 0.64 -1.46 121.20 128.25 1ule s ILE 25 Ca 0.01 0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.96 1ule s ILE 25 Cb -0.19 -3.51 -0.00 0.00 0.01 0.00 0.00 42.46 38.76 1ule s ILE 25 CO 0.06 0.41 -0.09 -0.13 0.00 0.00 0.00 174.94 175.18 1ule s ARG 26 N 0.54 0.85 -0.04 2.79 0.52 0.84 -0.92 118.95 123.53 1ule s ARG 26 Ca 0.10 -0.31 -0.01 0.00 -0.52 0.00 0.00 55.73 54.99 1ule s ARG 26 Cb -0.12 -0.81 -0.04 0.00 0.52 0.00 0.00 34.95 34.51 1ule s ARG 26 CO 0.01 0.15 0.04 0.45 0.02 0.00 0.00 175.30 175.96 1ule s SER 27 N 0.00 5.43 0.00 0.23 0.15 -0.48 -0.47 113.70 118.55 1ule s SER 27 Ca 0.00 0.13 0.23 0.00 0.70 0.00 0.00 55.95 57.01 1ule s SER 27 Cb -0.06 -1.53 0.97 0.00 -1.71 0.00 0.00 66.02 63.69 1ule s SER 27 CO 0.00 0.32 1.68 -1.54 1.20 0.00 0.00 173.24 174.90 1ule n SER 28 N 1.63 1.22 -3.67 5.45 3.41 -1.26 -3.96 113.62 116.44 1ule n SER 28 Ca -0.16 -1.55 -0.10 0.00 -0.26 0.00 0.00 58.87 56.80 1ule n SER 28 Cb 0.53 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 1ule n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ule s ALA 29 N -1.89 -1.21 -0.23 7.33 0.00 -1.09 -4.78 121.76 119.88 1ule s ALA 29 Ca 0.34 -0.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.25 1ule s ALA 29 Cb 0.18 0.86 0.08 0.00 0.00 0.00 0.00 23.12 24.24 1ule s ALA 29 CO 0.28 -0.85 0.08 0.12 0.00 0.00 0.00 175.76 175.39 1ule s PHE 30 N -3.85 0.86 -1.05 0.00 5.36 -1.21 -3.95 117.98 114.14 1ule s PHE 30 Ca 0.07 -0.94 -0.15 0.00 -0.96 0.00 0.00 56.93 54.95 1ule s PHE 30 Cb -0.02 -1.08 0.18 0.00 -0.34 0.00 0.00 43.02 41.76 1ule s PHE 30 CO -0.03 -0.70 1.21 -0.80 -1.46 0.00 0.00 175.22 173.44 1ule s ASN 31 N 1.91 6.92 0.59 6.13 0.01 0.06 -4.88 114.94 125.67 1ule s ASN 31 Ca 0.04 -2.72 0.32 0.00 -0.71 0.00 0.00 52.86 49.79 1ule s ASN 31 Cb -0.17 -2.35 1.30 0.00 0.41 0.00 0.00 41.25 40.44 1ule s ASN 31 CO -0.18 -0.77 1.60 0.77 -1.51 0.00 0.00 177.10 177.01 1ule h SER 32 N 7.73 0.00 -0.60 -1.22 4.64 -1.94 0.36 113.55 122.53 1ule h SER 32 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1ule h SER 32 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1ule h SER 32 CO 1.11 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 177.36 1ule n LYS 33 N -3.62 3.57 -1.60 4.77 5.02 -1.26 -4.97 118.16 120.06 1ule n LYS 33 Ca 0.22 -2.65 -0.29 0.00 -2.02 0.00 0.00 58.31 53.57 1ule n LYS 33 Cb 1.29 -1.87 0.14 0.00 -0.02 0.00 0.00 35.03 34.57 1ule n LYS 33 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1ule s GLY 34 N -0.85 1.60 0.00 0.72 0.00 0.13 -5.07 107.32 103.85 1ule s GLY 34 Ca 0.47 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.56 1ule s GLY 34 CO 0.22 -0.05 0.00 0.61 0.00 0.00 0.00 173.10 173.89 1ule n GLY 35 N -2.45 2.49 3.72 0.20 0.00 0.34 -4.83 105.19 104.65 1ule n GLY 35 Ca 0.08 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1ule n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ule s THR 36 N 2.30 2.25 -0.09 2.61 2.01 -1.26 -4.35 115.64 119.12 1ule s THR 36 Ca 0.00 0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.21 1ule s THR 36 Cb 0.00 -3.11 0.01 0.00 0.01 0.00 0.00 72.50 69.40 1ule s THR 36 CO 0.00 0.01 -0.19 -0.89 -0.69 0.00 0.00 174.62 172.87 1ule s THR 37 N 1.18 1.66 0.02 -0.82 2.01 0.08 -4.49 115.64 115.28 1ule s THR 37 Ca 0.73 -0.78 0.08 0.00 0.31 0.00 0.00 61.69 62.03 1ule s THR 37 Cb -0.47 -1.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 1ule s THR 37 CO 0.32 0.47 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.80 1ule s VAL 38 N 0.57 2.39 -0.06 3.82 1.01 -0.09 -0.57 120.40 127.47 1ule s VAL 38 Ca -0.15 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 60.63 1ule s VAL 38 Cb -0.17 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.30 1ule s VAL 38 CO 0.05 0.43 -0.08 -0.36 0.00 0.00 0.00 175.10 175.14 1ule s PHE 39 N -0.79 1.12 -0.01 5.22 0.40 -0.78 -0.70 117.98 122.45 1ule s PHE 39 Ca 0.12 -0.40 0.07 0.00 -0.60 0.00 0.00 56.93 56.12 1ule s PHE 39 Cb -0.10 -0.90 -0.02 0.00 0.51 0.00 0.00 43.02 42.51 1ule s PHE 39 CO 0.02 -0.26 -0.22 -0.80 0.70 0.00 0.00 175.22 174.67 1ule s ASN 40 N 0.90 2.54 -0.27 1.36 0.01 -0.06 -1.17 114.94 118.25 1ule s ASN 40 Ca -0.11 -0.41 -0.08 0.00 -0.71 0.00 0.00 52.86 51.55 1ule s ASN 40 Cb -0.15 -0.27 -0.02 0.00 0.41 0.00 0.00 41.25 41.22 1ule s ASN 40 CO 0.01 0.25 0.10 -0.36 -1.51 0.00 0.00 177.10 175.59 1ule s PHE 41 N -0.55 3.12 0.08 2.20 0.40 -0.08 -0.35 117.98 122.81 1ule s PHE 41 Ca 0.08 -0.47 0.05 0.00 -0.60 0.00 0.00 56.93 55.99 1ule s PHE 41 Cb -0.08 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1ule s PHE 41 CO -0.00 -0.39 -0.01 -0.51 0.70 0.00 0.00 175.22 175.01 1ule s LEU 42 N 1.62 3.43 0.70 -0.37 1.43 0.28 -1.14 118.68 124.62 1ule s LEU 42 Ca 0.06 -0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 52.93 1ule s LEU 42 Cb -0.16 -2.15 0.09 0.00 0.03 0.00 0.00 46.19 44.00 1ule s LEU 42 CO 0.05 0.18 0.98 -0.94 0.23 0.00 0.00 176.35 176.86 1ule s SER 43 N -2.24 4.61 0.38 2.29 1.04 -0.66 0.45 113.70 119.58 1ule s SER 43 Ca 0.25 0.09 0.06 0.00 0.48 0.00 0.00 55.95 56.82 1ule s SER 43 Cb -0.12 -0.65 0.76 0.00 0.10 0.00 0.00 66.02 66.12 1ule s SER 43 CO 0.17 -1.69 2.00 0.00 0.98 0.00 0.00 173.24 174.71 1ule h ALA 44 N -0.53 1.59 -0.12 5.32 0.00 -1.92 0.91 119.26 124.52 1ule h ALA 44 Ca -0.41 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1ule h ALA 44 Cb 1.29 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ule h ALA 44 CO 0.50 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.50 1ule n GLY 45 N -1.30 -0.42 2.29 0.00 0.00 -1.26 -4.89 105.19 99.60 1ule n GLY 45 Ca 0.03 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 1ule n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ule n GLU 46 N -0.14 -1.27 -3.07 1.61 1.02 0.32 -4.76 120.64 114.35 1ule n GLU 46 Ca 0.04 0.65 -0.36 0.00 -0.02 0.00 0.00 57.16 57.48 1ule n GLU 46 Cb 0.11 -4.90 -0.06 0.00 -0.02 0.00 0.00 31.44 26.56 1ule n GLU 46 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1ule s ASN 47 N -2.43 7.07 -0.72 1.62 0.01 -1.26 -4.00 114.94 115.24 1ule s ASN 47 Ca 0.02 1.46 -0.20 0.00 -0.71 0.00 0.00 52.86 53.42 1ule s ASN 47 Cb -0.01 -2.44 0.10 0.00 0.41 0.00 0.00 41.25 39.32 1ule s ASN 47 CO 0.02 0.01 0.94 -0.63 -1.51 0.00 0.00 177.10 175.93 1ule s ILE 48 N -1.56 4.58 0.13 0.60 1.01 0.14 -1.65 121.20 124.45 1ule s ILE 48 Ca 0.44 -0.90 -0.13 0.00 0.00 0.00 0.00 60.65 60.07 1ule s ILE 48 Cb -0.17 -4.66 -0.04 0.00 0.01 0.00 0.00 42.46 37.60 1ule s ILE 48 CO 0.21 -1.38 1.48 -0.07 0.00 0.00 0.00 174.94 175.18 1ule h LEU 49 N 10.68 0.89 -7.28 2.97 3.38 -1.39 -2.03 115.31 122.54 1ule h LEU 49 Ca -0.16 -0.43 -0.32 0.00 0.09 0.00 0.00 57.88 57.06 1ule h LEU 49 Cb 1.06 -0.25 -0.37 0.00 0.09 0.00 0.00 40.66 41.20 1ule h LEU 49 CO 1.13 1.13 -0.67 -0.22 0.09 0.00 0.00 178.44 179.91 1ule s LEU 50 N -9.03 -0.00 -0.19 1.67 2.96 -1.17 -4.66 118.68 108.26 1ule s LEU 50 Ca -0.12 0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 54.02 1ule s LEU 50 Cb 0.10 0.15 -0.01 0.00 0.50 0.00 0.00 46.19 46.93 1ule s LEU 50 CO 0.85 -0.25 -0.07 -2.28 -1.32 0.00 0.00 176.35 173.28 1ule s HIS 51 N 2.24 2.92 -0.30 5.38 5.65 -0.09 -0.90 115.29 130.19 1ule s HIS 51 Ca 0.04 -0.81 0.03 0.00 0.25 0.00 0.00 55.06 54.56 1ule s HIS 51 Cb -0.12 -2.01 0.08 0.00 -1.18 0.00 0.00 32.58 29.35 1ule s HIS 51 CO -0.05 -0.41 -0.04 0.42 -0.65 0.00 0.00 174.74 174.02 1ule s ILE 52 N 1.03 2.28 -0.44 0.89 1.01 -0.32 -2.16 121.20 123.49 1ule s ILE 52 Ca 0.00 -1.91 -0.11 0.00 0.00 0.00 0.00 60.65 58.63 1ule s ILE 52 Cb -0.15 -2.48 0.08 0.00 0.01 0.00 0.00 42.46 39.92 1ule s ILE 52 CO -0.01 -0.27 0.32 -0.55 0.00 0.00 0.00 174.94 174.43 1ule s SER 53 N 1.05 5.82 -0.42 3.58 0.15 0.93 -1.87 113.70 122.94 1ule s SER 53 Ca -0.01 -1.50 -0.21 0.00 0.70 0.00 0.00 55.95 54.94 1ule s SER 53 Cb -0.20 -2.06 0.02 0.00 -1.71 0.00 0.00 66.02 62.07 1ule s SER 53 CO -0.06 -0.60 0.68 -0.63 1.20 0.00 0.00 173.24 173.83 1ule s ILE 54 N 1.49 4.80 -0.44 6.45 1.01 0.27 -0.04 121.20 134.74 1ule s ILE 54 Ca 0.04 0.31 0.02 0.00 0.00 0.00 0.00 60.65 61.01 1ule s ILE 54 Cb -0.24 -4.20 0.12 0.00 0.01 0.00 0.00 42.46 38.14 1ule s ILE 54 CO 0.03 -0.56 0.18 -0.13 0.00 0.00 0.00 174.94 174.47 1ule s ARG 55 N 2.91 1.84 0.28 2.79 0.52 0.25 -0.74 118.95 126.80 1ule s ARG 55 Ca 0.25 -2.16 0.01 0.00 -0.52 0.00 0.00 55.73 53.31 1ule s ARG 55 Cb -0.14 -3.37 0.42 0.00 0.52 0.00 0.00 34.95 32.38 1ule s ARG 55 CO 0.19 -1.04 1.77 -1.00 0.02 0.00 0.00 175.30 175.24 1ule h PRO 56 N 7.30 0.64 0.00 3.54 0.13 -1.82 -1.24 132.00 140.56 1ule h PRO 56 Ca -0.06 -0.18 -0.08 0.00 -0.87 0.00 0.00 66.00 64.81 1ule h PRO 56 Cb 0.98 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 1ule h PRO 56 CO 0.62 0.71 -0.36 0.78 -0.23 0.00 0.00 178.00 179.53 1ule h GLY 57 N 0.95 0.00 -2.04 1.56 0.00 -1.93 -2.25 103.07 99.36 1ule h GLY 57 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1ule h GLY 57 CO 0.03 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 174.36 1ule n GLU 58 N -4.11 2.38 -3.92 4.80 2.13 -1.13 -4.97 120.64 115.83 1ule n GLU 58 Ca -0.02 -2.05 -0.26 0.00 0.66 0.00 0.00 57.16 55.49 1ule n GLU 58 Cb 0.40 -1.48 -0.00 0.00 0.27 0.00 0.00 31.44 30.62 1ule n GLU 58 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1ule n ASN 59 N 1.37 -1.32 -3.64 4.31 5.15 -0.57 -4.96 115.26 115.60 1ule n ASN 59 Ca 0.16 -0.94 -0.12 0.00 -0.60 0.00 0.00 54.58 53.08 1ule n ASN 59 Cb 0.59 -3.35 -0.06 0.00 -0.53 0.00 0.00 39.78 36.44 1ule n ASN 59 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1ule s VAL 60 N -3.75 0.06 -0.13 3.44 0.11 -0.59 -2.43 120.40 117.11 1ule s VAL 60 Ca 0.16 -0.46 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 1ule s VAL 60 Cb -0.08 -1.02 0.01 0.00 -1.53 0.00 0.00 36.38 33.76 1ule s VAL 60 CO 0.87 -0.26 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.56 1ule s ILE 61 N -2.89 1.83 -0.09 7.04 1.01 -0.07 -0.59 121.20 127.45 1ule s ILE 61 Ca -0.03 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1ule s ILE 61 Cb 0.00 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 1ule s ILE 61 CO -0.05 0.50 -0.08 -0.69 0.00 0.00 0.00 174.94 174.62 1ule s VAL 62 N 0.96 3.58 -0.05 2.92 1.01 0.94 -2.56 120.40 127.20 1ule s VAL 62 Ca -0.05 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.47 1ule s VAL 62 Cb -0.15 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1ule s VAL 62 CO -0.03 0.57 -0.19 -0.36 0.00 0.00 0.00 175.10 175.09 1ule s PHE 63 N -0.49 2.56 0.20 5.22 0.40 -0.07 -0.05 117.98 125.74 1ule s PHE 63 Ca 0.07 -0.36 -0.13 0.00 -0.60 0.00 0.00 56.93 55.91 1ule s PHE 63 Cb -0.12 -1.60 0.05 0.00 0.51 0.00 0.00 43.02 41.86 1ule s PHE 63 CO 0.02 0.03 0.64 -1.71 0.70 0.00 0.00 175.22 174.90 1ule n ASN 64 N 2.53 -1.39 -3.86 1.36 2.85 -0.92 -2.05 115.26 113.78 1ule n ASN 64 Ca -0.17 -1.85 -0.10 0.00 -0.11 0.00 0.00 54.58 52.35 1ule n ASN 64 Cb 0.52 2.29 -0.06 0.00 1.24 0.00 0.00 39.78 43.77 1ule n ASN 64 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1ule s SER 65 N -2.58 -0.06 -0.25 1.20 0.01 -1.26 -0.91 113.70 109.84 1ule s SER 65 Ca 0.14 -0.69 -0.28 0.00 1.31 0.00 0.00 55.95 56.43 1ule s SER 65 Cb -0.03 0.47 0.16 0.00 0.21 0.00 0.00 66.02 66.84 1ule s SER 65 CO 0.06 -0.92 1.22 0.00 0.41 0.00 0.00 173.24 174.01 1ule s ARG 66 N -3.92 0.29 0.66 12.44 1.70 -0.76 -2.77 118.95 126.59 1ule s ARG 66 Ca 0.12 0.17 -0.14 0.00 -0.47 0.00 0.00 55.73 55.41 1ule s ARG 66 Cb 0.02 0.14 -0.00 0.00 -0.57 0.00 0.00 34.95 34.54 1ule s ARG 66 CO -0.03 -0.07 1.09 -0.51 -1.08 0.00 0.00 175.30 174.71 1ule s LEU 67 N -0.55 3.36 0.23 -1.89 1.43 -1.26 -0.69 118.68 119.31 1ule s LEU 67 Ca 0.05 1.91 -0.15 0.00 -1.03 0.00 0.00 54.13 54.91 1ule s LEU 67 Cb -0.03 -4.54 0.27 0.00 0.03 0.00 0.00 46.19 41.93 1ule s LEU 67 CO -0.07 -1.55 1.49 1.17 0.23 0.00 0.00 176.35 177.61 1ule n LYS 68 N -2.49 -0.20 -1.98 1.70 4.81 -1.26 -0.77 118.16 117.98 1ule n LYS 68 Ca 0.10 1.48 -0.25 0.00 -0.87 0.00 0.00 58.31 58.76 1ule n LYS 68 Cb 0.52 -2.20 0.02 0.00 0.02 0.00 0.00 35.03 33.40 1ule n LYS 68 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ule n ASN 69 N -5.44 5.14 -3.06 3.14 3.02 -1.26 -5.02 115.26 111.78 1ule n ASN 69 Ca 0.11 -3.75 -0.11 0.00 -0.03 0.00 0.00 54.58 50.79 1ule n ASN 69 Cb 0.40 -0.40 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1ule n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ule n GLY 70 N -0.72 3.43 3.89 7.41 0.00 0.05 -5.15 105.19 114.11 1ule n GLY 70 Ca 0.45 -2.25 -0.28 0.00 0.00 0.00 0.00 46.02 43.95 1ule n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ule s ALA 71 N -2.32 3.86 0.68 4.61 0.00 -1.26 -4.68 121.76 122.66 1ule s ALA 71 Ca 0.06 -1.02 -0.17 0.00 0.00 0.00 0.00 51.96 50.84 1ule s ALA 71 Cb -0.00 -1.68 0.01 0.00 0.00 0.00 0.00 23.12 21.44 1ule s ALA 71 CO 0.04 0.63 1.26 0.91 0.00 0.00 0.00 175.76 178.60 1ule n TRP 72 N -0.20 1.74 -1.84 0.00 7.02 -1.26 -4.58 117.44 118.33 1ule n TRP 72 Ca -0.07 0.42 0.00 0.00 -1.02 0.00 0.00 57.50 56.83 1ule n TRP 72 Cb 0.53 -2.23 0.00 0.00 -2.42 0.00 0.00 31.31 27.19 1ule n TRP 72 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ule n GLY 73 N 0.86 1.46 3.77 6.99 0.00 -1.11 -5.03 105.19 112.13 1ule n GLY 73 Ca 0.15 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 1ule n GLY 73 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ule s PRO 74 N 1.70 4.07 0.37 1.61 0.04 -1.26 -4.91 135.00 136.63 1ule s PRO 74 Ca 0.00 1.72 -0.14 0.00 0.04 0.00 0.00 61.00 62.62 1ule s PRO 74 Cb 0.00 -2.62 -0.08 0.00 0.04 0.00 0.00 34.50 31.84 1ule s PRO 74 CO 0.00 -0.27 0.78 -1.21 0.04 0.00 0.00 177.00 176.34 1ule s GLU 75 N -2.38 3.93 -0.13 4.56 2.02 -1.26 -4.80 118.70 120.64 1ule s GLU 75 Ca 0.58 0.64 0.01 0.00 0.02 0.00 0.00 54.97 56.22 1ule s GLU 75 Cb -0.28 -2.38 0.02 0.00 0.10 0.00 0.00 34.13 31.59 1ule s GLU 75 CO 0.34 0.05 -0.13 -1.21 0.02 0.00 0.00 175.26 174.33 1ule s GLU 76 N -3.38 2.14 0.28 1.61 2.02 -0.87 -5.00 118.70 115.51 1ule s GLU 76 Ca 0.54 -0.51 0.11 0.00 0.02 0.00 0.00 54.97 55.13 1ule s GLU 76 Cb -0.10 -1.95 -0.05 0.00 0.10 0.00 0.00 34.13 32.12 1ule s GLU 76 CO 0.23 -0.19 -0.18 1.03 0.02 0.00 0.00 175.26 176.17 1ule s ARG 77 N 1.38 1.65 -0.07 1.61 0.52 -1.26 -0.89 118.95 121.89 1ule s ARG 77 Ca 0.02 -1.77 -0.20 0.00 -0.52 0.00 0.00 55.73 53.26 1ule s ARG 77 Cb -0.13 -1.67 0.04 0.00 0.52 0.00 0.00 34.95 33.71 1ule s ARG 77 CO -0.08 0.28 0.46 0.96 0.02 0.00 0.00 175.30 176.95 1ule s ILE 78 N -2.59 0.03 0.57 1.52 -4.36 -1.06 -5.01 121.20 110.30 1ule s ILE 78 Ca 0.29 -0.22 -0.21 0.00 -0.26 0.00 0.00 60.65 60.26 1ule s ILE 78 Cb -0.03 -0.74 -0.04 0.00 1.25 0.00 0.00 42.46 42.89 1ule s ILE 78 CO 0.14 -0.12 1.33 -2.84 0.24 0.00 0.00 174.94 173.69 1ule s PRO 79 N -0.88 3.02 0.01 0.37 0.02 -1.26 -0.89 135.00 135.38 1ule s PRO 79 Ca -0.09 2.15 -0.15 0.00 0.02 0.00 0.00 61.00 62.93 1ule s PRO 79 Cb -0.03 -2.15 -0.35 0.00 0.02 0.00 0.00 34.50 32.00 1ule s PRO 79 CO 0.05 -1.26 0.92 -0.92 -0.33 0.00 0.00 177.00 175.46 1ule h TYR 80 N 1.23 0.92 -1.62 6.54 3.20 -1.74 -3.42 116.97 122.08 1ule h TYR 80 Ca -0.51 -0.67 -0.66 0.00 3.14 0.00 0.00 58.73 60.02 1ule h TYR 80 Cb 1.31 -0.04 0.09 0.00 1.54 0.00 0.00 36.73 39.63 1ule h TYR 80 CO 0.45 1.59 -0.07 0.00 -1.64 0.00 0.00 178.16 178.49 1ule n ALA 81 N -2.75 -1.74 -3.92 1.82 0.00 -1.26 -3.17 120.51 109.49 1ule n ALA 81 Ca -0.19 0.45 -0.32 0.00 0.00 0.00 0.00 53.44 53.39 1ule n ALA 81 Cb 1.09 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1ule n ALA 81 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ule n GLU 82 N 1.21 -1.84 -0.01 0.00 0.28 -1.26 -4.89 120.64 114.13 1ule n GLU 82 Ca 0.15 0.33 -0.02 0.00 -0.16 0.00 0.00 57.16 57.47 1ule n GLU 82 Cb 0.24 -3.95 -0.01 0.00 1.43 0.00 0.00 31.44 29.16 1ule n GLU 82 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1ule n LYS 83 N -4.46 0.48 -3.96 3.44 4.76 -1.19 -4.56 118.16 112.65 1ule n LYS 83 Ca -0.21 0.01 -0.34 0.00 -2.87 0.00 0.00 58.31 54.90 1ule n LYS 83 Cb 0.63 -1.05 -0.06 0.00 -1.84 0.00 0.00 35.03 32.72 1ule n LYS 83 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ule s PHE 84 N -2.05 3.49 -0.29 2.13 0.40 -1.26 -1.12 117.98 119.28 1ule s PHE 84 Ca -0.03 0.36 -0.02 0.00 -0.60 0.00 0.00 56.93 56.64 1ule s PHE 84 Cb 0.01 -1.84 0.04 0.00 0.51 0.00 0.00 43.02 41.74 1ule s PHE 84 CO 0.06 0.64 -0.01 0.50 0.70 0.00 0.00 175.22 177.11 1ule s ARG 85 N -1.61 2.60 0.77 0.44 3.52 -1.26 -4.93 118.95 118.47 1ule s ARG 85 Ca 0.23 -1.15 -0.11 0.00 -0.13 0.00 0.00 55.73 54.56 1ule s ARG 85 Cb -0.12 -3.15 0.05 0.00 -1.56 0.00 0.00 34.95 30.17 1ule s ARG 85 CO 0.13 -0.55 1.08 -1.25 -0.81 0.00 0.00 175.30 173.91 1ule s PRO 86 N 1.30 2.30 0.00 5.12 0.04 -1.26 -2.53 135.00 139.96 1ule s PRO 86 Ca -0.03 0.82 0.25 0.00 0.04 0.00 0.00 61.00 62.08 1ule s PRO 86 Cb -0.19 -1.93 0.82 0.00 0.04 0.00 0.00 34.50 33.25 1ule s PRO 86 CO -0.02 -1.51 1.61 -0.35 0.04 0.00 0.00 177.00 176.77 1ule n PRO 87 N -3.39 1.81 -3.43 0.56 -0.04 -1.26 -4.87 135.00 124.39 1ule n PRO 87 Ca 0.07 -1.20 -0.26 0.00 -0.04 0.00 0.00 63.50 62.07 1ule n PRO 87 Cb 0.55 -1.46 -0.08 0.00 -0.04 0.00 0.00 33.50 32.47 1ule n PRO 87 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ule n ASN 88 N 0.44 2.69 -4.76 3.54 5.03 -1.22 -2.69 115.26 118.29 1ule n ASN 88 Ca 0.18 -3.20 -0.33 0.00 0.87 0.00 0.00 54.58 52.10 1ule n ASN 88 Cb 0.39 -0.67 0.06 0.00 -1.02 0.00 0.00 39.78 38.55 1ule n ASN 88 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1ule s PRO 89 N -1.96 2.56 0.08 3.52 0.04 -1.05 -4.70 135.00 133.49 1ule s PRO 89 Ca 0.37 1.41 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 1ule s PRO 89 Cb 0.13 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 1ule s PRO 89 CO -0.06 -1.44 0.01 -1.54 0.04 0.00 0.00 177.00 174.01 1ule s SER 90 N -2.65 0.40 -0.04 6.66 1.04 -1.26 -1.39 113.70 116.47 1ule s SER 90 Ca 0.67 -1.07 -0.01 0.00 0.48 0.00 0.00 55.95 56.02 1ule s SER 90 Cb -0.21 0.24 0.03 0.00 0.10 0.00 0.00 66.02 66.18 1ule s SER 90 CO 0.45 -0.66 0.04 -0.63 0.98 0.00 0.00 173.24 173.42 1ule s ILE 91 N -3.97 0.00 -0.11 -1.02 1.01 -0.10 -3.92 121.20 113.09 1ule s ILE 91 Ca 0.14 0.30 0.03 0.00 0.00 0.00 0.00 60.65 61.11 1ule s ILE 91 Cb 0.08 -0.20 -0.00 0.00 0.01 0.00 0.00 42.46 42.34 1ule s ILE 91 CO -0.05 0.17 -0.21 -0.89 0.00 0.00 0.00 174.94 173.96 1ule s THR 92 N 1.74 2.34 -0.09 2.92 2.01 0.39 -0.26 115.64 124.68 1ule s THR 92 Ca -0.00 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 61.12 1ule s THR 92 Cb -0.12 -1.93 -0.00 0.00 0.01 0.00 0.00 72.50 70.46 1ule s THR 92 CO -0.03 0.55 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.53 1ule s VAL 93 N 0.40 1.92 -0.06 3.82 1.01 -0.13 -0.37 120.40 126.98 1ule s VAL 93 Ca -0.15 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 60.91 1ule s VAL 93 Cb -0.17 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.56 1ule s VAL 93 CO 0.07 0.53 -0.16 -0.63 0.00 0.00 0.00 175.10 174.91 1ule s ILE 94 N 0.29 1.41 -0.40 2.22 1.01 -0.03 -0.47 121.20 125.24 1ule s ILE 94 Ca -0.15 -0.66 -0.22 0.00 0.00 0.00 0.00 60.65 59.62 1ule s ILE 94 Cb -0.17 -1.24 0.01 0.00 0.01 0.00 0.00 42.46 41.07 1ule s ILE 94 CO 0.07 0.41 0.71 -0.62 0.00 0.00 0.00 174.94 175.52 1ule s ASP 95 N 0.39 6.43 -0.30 3.58 -1.08 -0.60 -0.81 116.67 124.28 1ule s ASP 95 Ca -0.12 0.04 0.11 0.00 -0.52 0.00 0.00 52.55 52.07 1ule s ASP 95 Cb -0.15 -2.36 0.72 0.00 -1.46 0.00 0.00 42.92 39.67 1ule s ASP 95 CO 0.04 -0.74 1.74 1.41 0.52 0.00 0.00 175.17 178.14 1ule n HIS 96 N 6.35 2.18 0.00 -5.34 8.25 0.12 -0.20 115.22 126.57 1ule n HIS 96 Ca 0.01 -1.16 0.00 0.00 -0.26 0.00 0.00 57.72 56.31 1ule n HIS 96 Cb 0.48 -0.62 0.00 0.00 1.12 0.00 0.00 29.99 30.97 1ule n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ule n GLY 97 N -0.19 2.08 0.31 -1.41 0.00 -1.26 -4.20 105.19 100.52 1ule n GLY 97 Ca 0.37 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.37 1ule n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ule n ASP 98 N 3.96 1.39 -3.63 1.61 5.75 -1.26 -4.91 116.55 119.45 1ule n ASP 98 Ca 0.00 -1.10 -0.06 0.00 -0.01 0.00 0.00 54.79 53.62 1ule n ASP 98 Cb 0.00 0.33 -0.02 0.00 -1.03 0.00 0.00 41.12 40.41 1ule n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ule s ARG 99 N -2.55 1.05 0.05 0.11 1.70 -1.26 -2.01 118.95 116.05 1ule s ARG 99 Ca 0.20 -0.51 0.02 0.00 -0.47 0.00 0.00 55.73 54.97 1ule s ARG 99 Cb 0.18 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.93 1ule s ARG 99 CO 0.57 -0.47 0.10 -0.06 -1.08 0.00 0.00 175.30 174.36 1ule s PHE 100 N -3.25 3.26 -0.12 5.89 0.40 0.37 -0.70 117.98 123.82 1ule s PHE 100 Ca 0.09 0.13 0.01 0.00 -0.60 0.00 0.00 56.93 56.56 1ule s PHE 100 Cb -0.01 -1.67 -0.01 0.00 0.51 0.00 0.00 43.02 41.83 1ule s PHE 100 CO -0.03 0.54 -0.15 -1.14 0.70 0.00 0.00 175.22 175.14 1ule s GLN 101 N -2.23 3.28 -0.12 0.44 0.74 0.01 -0.75 119.66 121.02 1ule s GLN 101 Ca 0.28 -0.72 0.02 0.00 0.05 0.00 0.00 55.36 54.99 1ule s GLN 101 Cb -0.12 -2.56 0.01 0.00 1.10 0.00 0.00 33.01 31.44 1ule s GLN 101 CO 0.21 0.23 -0.18 0.42 -0.55 0.00 0.00 175.29 175.42 1ule s ILE 102 N 0.28 1.72 -0.05 -2.34 1.09 0.75 -0.85 121.20 121.81 1ule s ILE 102 Ca -0.11 -0.77 0.05 0.00 -1.10 0.00 0.00 60.65 58.72 1ule s ILE 102 Cb -0.16 -1.55 -0.01 0.00 -1.06 0.00 0.00 42.46 39.68 1ule s ILE 102 CO 0.06 0.48 -0.20 -0.13 -0.10 0.00 0.00 174.94 175.05 1ule s ARG 103 N 0.95 2.05 0.00 2.79 0.52 0.50 -1.05 118.95 124.72 1ule s ARG 103 Ca -0.06 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 54.42 1ule s ARG 103 Cb -0.15 -1.78 0.00 0.00 0.52 0.00 0.00 34.95 33.54 1ule s ARG 103 CO -0.02 0.31 0.00 1.19 0.02 0.00 0.00 175.30 176.79 1ule n PHE 104 N 3.03 0.00 0.12 -0.53 3.01 -1.26 -0.47 117.46 121.36 1ule n PHE 104 Ca -0.18 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.06 1ule n PHE 104 Cb 0.53 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.85 1ule n PHE 104 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1ule h ASP 105 N 0.00 0.80 -2.17 4.37 3.32 -1.24 -3.46 116.42 118.04 1ule h ASP 105 Ca 0.00 -0.80 -0.58 0.00 0.02 0.00 0.00 57.03 55.66 1ule h ASP 105 Cb 0.00 -0.26 -0.13 0.00 0.22 0.00 0.00 39.33 39.16 1ule h ASP 105 CO 0.00 1.62 -0.63 -0.31 -1.72 0.00 0.00 179.24 178.20 1ule s TYR 106 N -2.78 2.32 0.05 4.55 1.51 -0.50 -4.97 117.35 117.53 1ule s TYR 106 Ca -0.08 -0.69 0.00 0.00 -1.01 0.00 0.00 57.07 55.28 1ule s TYR 106 Cb 0.05 -1.53 0.00 0.00 -0.11 0.00 0.00 41.96 40.38 1ule s TYR 106 CO 0.93 0.38 0.00 0.41 -1.11 0.00 0.00 175.55 176.16 1ule n GLY 107 N -0.83 -1.53 3.87 0.71 0.00 -1.26 -4.77 105.19 101.37 1ule n GLY 107 Ca -0.05 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 1ule n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ule s THR 108 N -1.42 2.39 0.65 2.61 -4.23 -1.26 -4.88 115.64 109.49 1ule s THR 108 Ca 0.00 0.13 -0.12 0.00 -1.18 0.00 0.00 61.69 60.52 1ule s THR 108 Cb 0.00 -3.06 -0.02 0.00 1.34 0.00 0.00 72.50 70.77 1ule s THR 108 CO 0.00 -0.17 1.05 -0.44 -0.54 0.00 0.00 174.62 174.52 1ule s SER 109 N -4.37 5.75 -0.12 3.99 0.01 -1.26 -4.80 113.70 112.90 1ule s SER 109 Ca 0.61 1.59 -0.01 0.00 1.31 0.00 0.00 55.95 59.45 1ule s SER 109 Cb -0.12 -2.50 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 1ule s SER 109 CO 0.51 -1.19 -0.07 -0.63 0.41 0.00 0.00 173.24 172.27 1ule s ILE 110 N -2.96 3.64 -0.12 1.44 1.09 -0.21 -4.95 121.20 119.13 1ule s ILE 110 Ca 0.58 -0.47 -0.00 0.00 -1.10 0.00 0.00 60.65 59.66 1ule s ILE 110 Cb -0.13 -2.54 -0.02 0.00 -1.06 0.00 0.00 42.46 38.70 1ule s ILE 110 CO 0.50 0.53 -0.11 -0.31 -0.10 0.00 0.00 174.94 175.46 1ule s TYR 111 N -0.02 2.85 -0.21 3.97 1.51 -1.26 -0.17 117.35 124.02 1ule s TYR 111 Ca -0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.61 1ule s TYR 111 Cb -0.14 -1.83 0.05 0.00 -0.11 0.00 0.00 41.96 39.94 1ule s TYR 111 CO 0.03 -0.07 -0.05 -0.47 -1.11 0.00 0.00 175.55 173.88 1ule s TYR 112 N 0.10 2.12 0.29 2.71 5.04 0.07 -4.97 117.35 122.71 1ule s TYR 112 Ca -0.05 -1.51 -0.30 0.00 -2.44 0.00 0.00 57.07 52.78 1ule s TYR 112 Cb -0.14 -1.48 -0.11 0.00 0.35 0.00 0.00 41.96 40.58 1ule s TYR 112 CO 0.04 -0.72 1.47 -0.80 -1.34 0.00 0.00 175.55 174.20 1ule s ASN 113 N 1.49 6.54 0.36 4.32 0.02 -1.26 -0.48 114.94 125.93 1ule s ASN 113 Ca -0.03 2.81 -0.28 0.00 -1.02 0.00 0.00 52.86 54.33 1ule s ASN 113 Cb -0.18 -2.64 -0.10 0.00 0.02 0.00 0.00 41.25 38.35 1ule s ASN 113 CO -0.07 -0.77 1.37 -0.54 0.02 0.00 0.00 177.10 177.12 1ule s LYS 114 N -0.87 4.22 -0.03 -0.60 1.02 -0.85 -4.88 119.74 117.75 1ule s LYS 114 Ca 0.58 2.34 0.05 0.00 0.02 0.00 0.00 55.97 58.96 1ule s LYS 114 Cb -0.44 -3.00 -0.07 0.00 -0.52 0.00 0.00 37.83 33.80 1ule s LYS 114 CO 0.49 -0.35 0.07 0.54 -0.92 0.00 0.00 175.35 175.18 1ule n ARG 115 N 0.60 1.82 -4.26 1.68 1.74 -1.26 -4.96 116.66 112.02 1ule n ARG 115 Ca 0.01 -0.02 -0.32 0.00 -0.77 0.00 0.00 57.85 56.74 1ule n ARG 115 Cb 0.41 -1.13 -0.16 0.00 -1.02 0.00 0.00 32.46 30.55 1ule n ARG 115 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ule s ILE 116 N -2.24 1.94 -1.18 0.55 1.01 -1.26 -5.07 121.20 114.94 1ule s ILE 116 Ca -0.02 -0.88 -0.14 0.00 0.00 0.00 0.00 60.65 59.61 1ule s ILE 116 Cb 0.02 -1.75 0.16 0.00 0.01 0.00 0.00 42.46 40.91 1ule s ILE 116 CO 0.22 0.52 1.41 -1.59 0.00 0.00 0.00 174.94 175.51 1ule s LYS 117 N 1.19 4.04 0.09 2.79 -2.85 -1.26 -4.89 119.74 118.85 1ule s LYS 117 Ca 0.01 -2.49 -0.13 0.00 -1.00 0.00 0.00 55.97 52.37 1ule s LYS 117 Cb -0.14 -5.06 0.02 0.00 -2.06 0.00 0.00 37.83 30.59 1ule s LYS 117 CO -0.09 -1.78 0.30 -1.21 0.10 0.00 0.00 175.35 172.67 1ule s GLU 118 N 1.76 0.92 0.46 1.78 2.02 -1.26 -5.17 118.70 119.21 1ule s GLU 118 Ca 0.42 -0.74 -0.02 0.00 0.02 0.00 0.00 54.97 54.65 1ule s GLU 118 Cb -0.03 0.39 -0.02 0.00 0.10 0.00 0.00 34.13 34.58 1ule s GLU 118 CO -0.01 -0.32 0.72 -0.80 0.02 0.00 0.00 175.26 174.87 1ule s ASN 119 N -2.62 6.01 0.05 -0.19 0.01 -1.26 -5.01 114.94 111.92 1ule s ASN 119 Ca 0.01 0.58 -0.21 0.00 -0.71 0.00 0.00 52.86 52.54 1ule s ASN 119 Cb 0.02 -1.87 -0.06 0.00 0.41 0.00 0.00 41.25 39.75 1ule s ASN 119 CO -0.09 -0.65 0.61 0.00 -1.51 0.00 0.00 177.10 175.46 1ule s ALA 120 N -2.64 3.52 -0.24 0.60 0.00 -0.80 -4.38 121.76 117.81 1ule s ALA 120 Ca 0.47 0.08 0.11 0.00 0.00 0.00 0.00 51.96 52.62 1ule s ALA 120 Cb -0.10 -2.74 -0.14 0.00 0.00 0.00 0.00 23.12 20.14 1ule s ALA 120 CO 0.41 0.27 0.34 0.00 0.00 0.00 0.00 175.76 176.77 1ule n ALA 121 N 2.22 2.86 -3.09 0.00 0.00 0.17 -0.20 120.51 122.47 1ule n ALA 121 Ca -0.08 -0.28 -0.11 0.00 0.00 0.00 0.00 53.44 52.98 1ule n ALA 121 Cb 0.51 -0.38 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 1ule n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ule s ALA 122 N -2.40 -1.05 -0.08 0.00 0.00 -0.99 -0.93 121.76 116.32 1ule s ALA 122 Ca -0.00 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.02 1ule s ALA 122 Cb 0.07 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.95 1ule s ALA 122 CO 0.44 -0.68 -0.15 0.42 0.00 0.00 0.00 175.76 175.79 1ule s ILE 123 N -3.80 1.37 0.17 0.00 1.01 -0.90 -0.56 121.20 118.49 1ule s ILE 123 Ca 0.03 -0.61 0.08 0.00 0.00 0.00 0.00 60.65 60.15 1ule s ILE 123 Cb 0.01 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 1ule s ILE 123 CO -0.12 0.41 -0.09 0.00 0.00 0.00 0.00 174.94 175.14 1ule s ALA 124 N 0.62 2.95 -0.12 9.38 0.00 0.53 -1.43 121.76 133.69 1ule s ALA 124 Ca -0.15 -1.42 -0.03 0.00 0.00 0.00 0.00 51.96 50.36 1ule s ALA 124 Cb -0.16 -0.78 0.04 0.00 0.00 0.00 0.00 23.12 22.23 1ule s ALA 124 CO 0.04 0.50 0.04 -0.47 0.00 0.00 0.00 175.76 175.88 1ule s TYR 125 N -1.60 0.55 0.01 0.00 5.04 -0.64 -0.88 117.35 119.82 1ule s TYR 125 Ca 0.24 -0.30 0.06 0.00 -2.44 0.00 0.00 57.07 54.63 1ule s TYR 125 Cb -0.09 -0.78 -0.02 0.00 0.35 0.00 0.00 41.96 41.42 1ule s TYR 125 CO 0.15 -0.42 -0.18 -0.80 -1.34 0.00 0.00 175.55 172.96 1ule s ASN 126 N 2.02 2.16 0.00 4.32 0.01 0.12 0.15 114.94 123.71 1ule s ASN 126 Ca 0.03 -0.39 0.00 0.00 -0.71 0.00 0.00 52.86 51.79 1ule s ASN 126 Cb -0.14 -0.21 0.00 0.00 0.41 0.00 0.00 41.25 41.30 1ule s ASN 126 CO -0.06 0.18 0.00 0.00 -1.51 0.00 0.00 177.10 175.71 1ule n ALA 127 N 2.34 0.00 -0.04 0.60 0.00 -1.26 -0.92 120.51 121.24 1ule n ALA 127 Ca -0.16 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.17 1ule n ALA 127 Cb 0.54 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.84 1ule n ALA 127 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ule n GLU 128 N -0.05 0.67 -3.15 0.00 1.02 -1.26 -4.56 120.64 113.29 1ule n GLU 128 Ca 0.00 0.23 -0.22 0.00 -0.02 0.00 0.00 57.16 57.14 1ule n GLU 128 Cb 0.00 -1.71 -0.06 0.00 -0.02 0.00 0.00 31.44 29.65 1ule n GLU 128 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1ule n ASN 129 N -3.07 -0.18 -4.65 1.62 5.15 -1.26 -5.04 115.26 107.82 1ule n ASN 129 Ca -0.24 -2.74 -0.40 0.00 -0.60 0.00 0.00 54.58 50.61 1ule n ASN 129 Cb 1.07 -0.39 0.03 0.00 -0.53 0.00 0.00 39.78 39.96 1ule n ASN 129 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1ule n SER 130 N 1.51 1.62 0.17 1.20 2.88 -1.26 0.13 113.62 119.86 1ule n SER 130 Ca 0.20 0.97 0.13 0.00 -1.33 0.00 0.00 58.87 58.85 1ule n SER 130 Cb 0.54 -1.43 0.38 0.00 -0.75 0.00 0.00 64.21 62.95 1ule n SER 130 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1ule h LEU 131 N 1.34 0.00 -9.89 2.46 4.07 -1.81 -3.42 115.31 108.05 1ule h LEU 131 Ca -0.47 0.00 -0.65 0.00 0.08 0.00 0.00 57.88 56.83 1ule h LEU 131 Cb 1.33 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.94 1ule h LEU 131 CO 0.56 0.00 -0.54 -0.36 -1.08 0.00 0.00 178.44 177.02 1ule s PHE 132 N -3.24 2.14 0.86 1.13 2.99 -1.26 -0.76 117.98 119.83 1ule s PHE 132 Ca 0.07 -0.83 -0.12 0.00 0.00 0.00 0.00 56.93 56.06 1ule s PHE 132 Cb 0.09 -1.70 0.10 0.00 0.00 0.00 0.00 43.02 41.52 1ule s PHE 132 CO 0.58 0.30 1.13 -1.54 -0.00 0.00 0.00 175.22 175.68 1ule s SER 133 N -3.82 4.01 -0.13 1.36 1.04 -1.25 -4.89 113.70 110.01 1ule s SER 133 Ca 0.19 1.06 -0.01 0.00 0.48 0.00 0.00 55.95 57.68 1ule s SER 133 Cb 0.05 -1.69 0.04 0.00 0.10 0.00 0.00 66.02 64.51 1ule s SER 133 CO 0.10 -2.25 -0.02 -0.55 0.98 0.00 0.00 173.24 171.50 1ule s SER 134 N -4.05 2.36 0.84 7.02 0.15 -1.26 -3.92 113.70 114.84 1ule s SER 134 Ca 0.62 -0.46 -0.06 0.00 0.70 0.00 0.00 55.95 56.76 1ule s SER 134 Cb -0.14 -0.70 0.11 0.00 -1.71 0.00 0.00 66.02 63.58 1ule s SER 134 CO 0.53 -0.20 0.67 -0.81 1.20 0.00 0.00 173.24 174.63 1ule n PRO 135 N 5.00 -0.37 -4.23 5.44 -0.04 -1.26 -4.92 135.00 134.62 1ule n PRO 135 Ca -0.10 -1.28 -0.30 0.00 -0.04 0.00 0.00 63.50 61.78 1ule n PRO 135 Cb 0.49 -0.61 -0.10 0.00 -0.04 0.00 0.00 33.50 33.24 1ule n PRO 135 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ule s VAL 136 N -2.23 3.44 0.04 0.52 -7.23 -0.19 -4.72 120.40 110.03 1ule s VAL 136 Ca 0.40 -1.23 -0.26 0.00 -1.81 0.00 0.00 61.98 59.08 1ule s VAL 136 Cb -0.01 -2.61 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 1ule s VAL 136 CO 0.27 0.12 0.81 -0.89 -0.31 0.00 0.00 175.10 175.11 1ule s THR 137 N -1.22 4.75 -0.17 5.32 2.01 0.38 -1.88 115.64 124.83 1ule s THR 137 Ca 0.22 1.72 -0.01 0.00 0.31 0.00 0.00 61.69 63.93 1ule s THR 137 Cb -0.11 -4.16 0.04 0.00 0.01 0.00 0.00 72.50 68.28 1ule s THR 137 CO 0.14 0.32 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.66 1ule s VAL 138 N 0.17 1.06 -0.24 3.82 1.01 -0.36 -0.11 120.40 125.75 1ule s VAL 138 Ca 0.41 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.67 1ule s VAL 138 Cb -0.21 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1ule s VAL 138 CO 0.24 0.08 0.09 -1.81 0.00 0.00 0.00 175.10 173.70 1ule s ASP 139 N 1.65 5.40 -0.18 3.32 1.11 -0.54 -0.68 116.67 126.75 1ule s ASP 139 Ca 0.00 -0.10 -0.03 0.00 0.18 0.00 0.00 52.55 52.61 1ule s ASP 139 Cb -0.16 -1.96 -0.01 0.00 1.07 0.00 0.00 42.92 41.86 1ule s ASP 139 CO -0.08 0.02 -0.07 -0.69 1.18 0.00 0.00 175.17 175.53 1ule s VAL 140 N 1.30 3.33 0.09 -1.27 1.01 0.14 -0.81 120.40 124.19 1ule s VAL 140 Ca 0.05 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.56 1ule s VAL 140 Cb -0.15 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1ule s VAL 140 CO 0.04 0.47 -0.05 -1.00 0.00 0.00 0.00 175.10 174.56 1ule s HIS 141 N 0.96 2.88 -0.45 5.22 3.76 0.98 -1.11 115.29 127.52 1ule s HIS 141 Ca -0.01 -0.08 0.25 0.00 -0.15 0.00 0.00 55.06 55.07 1ule s HIS 141 Cb -0.15 -1.50 0.60 0.00 1.11 0.00 0.00 32.58 32.64 1ule s HIS 141 CO 0.00 0.45 1.70 0.78 -0.85 0.00 0.00 174.74 176.82 1ule h GLY 142 N 3.63 0.00 -3.35 -2.22 0.00 -1.87 -1.18 103.07 98.08 1ule h GLY 142 Ca -0.48 0.00 0.07 0.00 0.00 0.00 0.00 47.33 46.92 1ule h GLY 142 CO 0.56 0.00 0.41 0.48 0.00 0.00 0.00 176.54 177.99 1ule s LEU 143 N -5.72 -0.43 0.14 3.11 2.34 -1.23 -3.70 118.68 113.19 1ule s LEU 143 Ca 0.07 0.05 -0.34 0.00 0.06 0.00 0.00 54.13 53.97 1ule s LEU 143 Cb 0.07 2.18 -0.14 0.00 -0.56 0.00 0.00 46.19 47.74 1ule s LEU 143 CO 0.62 -0.70 1.54 -0.11 -1.06 0.00 0.00 176.35 176.65 1ule n LEU 144 N -0.18 2.84 -4.91 1.48 0.00 -1.25 -4.86 117.00 110.10 1ule n LEU 144 Ca -0.11 1.09 -0.27 0.00 0.00 0.00 0.00 56.01 56.72 1ule n LEU 144 Cb 0.62 -1.38 0.03 0.00 0.00 0.00 0.00 43.42 42.69 1ule n LEU 144 CO 0.12 -0.42 0.55 -2.16 0.00 0.00 0.00 177.39 175.48 1ule s PRO 145 N 0.89 2.92 0.41 1.96 0.04 -1.26 -5.01 135.00 134.95 1ule s PRO 145 Ca 0.80 0.04 -0.25 0.00 0.04 0.00 0.00 61.00 61.63 1ule s PRO 145 Cb -0.73 -2.25 -0.10 0.00 0.04 0.00 0.00 34.50 31.46 1ule s PRO 145 CO 0.40 -0.73 1.09 -2.30 0.04 0.00 0.00 177.00 175.50 1ule n PRO 146 N -2.62 1.52 -3.96 0.56 -0.02 -1.26 -4.95 135.00 124.27 1ule n PRO 146 Ca 0.05 0.54 -0.36 0.00 -2.02 0.00 0.00 63.50 61.71 1ule n PRO 146 Cb 0.57 -2.14 -0.08 0.00 -0.02 0.00 0.00 33.50 31.84 1ule n PRO 146 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ule s LEU 147 N -0.85 4.12 0.75 2.45 1.43 -1.26 -5.09 118.68 120.22 1ule s LEU 147 Ca 0.62 0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 53.92 1ule s LEU 147 Cb -0.55 -2.01 0.04 0.00 0.03 0.00 0.00 46.19 43.70 1ule s LEU 147 CO 0.57 0.33 1.09 -2.16 0.23 0.00 0.00 176.35 176.41 1ule s PRO 148 N -0.53 2.41 0.51 1.29 0.04 -1.26 -4.89 135.00 132.57 1ule s PRO 148 Ca 0.11 1.18 0.30 0.00 0.04 0.00 0.00 61.00 62.64 1ule s PRO 148 Cb -0.12 -1.91 1.41 0.00 0.04 0.00 0.00 34.50 33.92 1ule s PRO 148 CO 0.02 -1.53 1.86 -1.35 0.04 0.00 0.00 177.00 176.05 1ule h PRO 149 N -0.89 0.08 0.00 0.56 0.11 -2.06 -3.56 132.00 126.23 1ule h PRO 149 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ule h PRO 149 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ule h PRO 149 CO 0.52 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 178.36