#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 4.29 0.06 -0.89 2.96 -1.26 -0.40 118.68 123.45 1ule s LEU 2 Ca 0.00 0.36 0.04 0.00 -0.22 0.00 0.00 54.13 54.31 1ule s LEU 2 Cb 0.00 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 1ule s LEU 2 CO 0.00 0.27 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.88 1ule s TYR 3 N -0.24 1.02 -0.36 5.38 1.51 0.94 -4.99 117.35 120.61 1ule s TYR 3 Ca 0.12 -0.48 -0.02 0.00 -1.01 0.00 0.00 57.07 55.67 1ule s TYR 3 Cb -0.12 -0.58 0.08 0.00 -0.11 0.00 0.00 41.96 41.23 1ule s TYR 3 CO 0.01 0.01 0.10 -1.01 -1.11 0.00 0.00 175.55 173.55 1ule s HIS 4 N -1.38 3.48 -0.44 2.71 3.76 -1.26 -0.80 115.29 121.36 1ule s HIS 4 Ca -0.04 -2.25 -0.20 0.00 -0.15 0.00 0.00 55.06 52.42 1ule s HIS 4 Cb -0.10 -2.74 0.02 0.00 1.11 0.00 0.00 32.58 30.88 1ule s HIS 4 CO 0.02 -0.90 0.58 -1.17 -0.85 0.00 0.00 174.74 172.42 1ule s LEU 5 N 1.16 4.62 0.39 0.89 2.96 -0.91 -4.89 118.68 122.90 1ule s LEU 5 Ca 0.03 -0.46 -0.17 0.00 -0.22 0.00 0.00 54.13 53.31 1ule s LEU 5 Cb -0.21 -2.62 -0.10 0.00 0.50 0.00 0.00 46.19 43.76 1ule s LEU 5 CO -0.03 -0.73 0.85 -0.36 -1.32 0.00 0.00 176.35 174.76 1ule s PHE 6 N 2.62 3.36 0.49 5.38 0.40 -1.26 -1.48 117.98 127.50 1ule s PHE 6 Ca 0.19 1.40 -0.24 0.00 -0.60 0.00 0.00 56.93 57.68 1ule s PHE 6 Cb -0.15 -2.69 -0.07 0.00 0.51 0.00 0.00 43.02 40.62 1ule s PHE 6 CO 0.17 -0.05 1.39 1.55 0.70 0.00 0.00 175.22 178.98 1ule n VAL 7 N -0.67 3.26 -3.92 -0.44 3.14 -1.26 -2.26 118.33 116.18 1ule n VAL 7 Ca 0.05 -0.50 -0.31 0.00 -2.96 0.00 0.00 64.34 60.63 1ule n VAL 7 Cb 0.54 -1.75 0.02 0.00 -1.06 0.00 0.00 33.84 31.59 1ule n VAL 7 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1ule n ASN 8 N -0.54 -4.72 -0.79 6.55 3.02 0.30 -4.93 115.26 114.15 1ule n ASN 8 Ca 0.08 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 1ule n ASN 8 Cb 0.43 -3.78 0.00 0.00 -0.61 0.00 0.00 39.78 35.82 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 -2.80 0.00 -3.54 6.41 2.85 -0.96 -5.00 115.26 112.22 1ule n ASN 9 Ca 0.05 -0.79 -0.09 0.00 -0.11 0.00 0.00 54.58 53.63 1ule n ASN 9 Cb 0.52 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.52 1ule n ASN 9 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ule s GLN 10 N -1.38 1.88 -0.04 1.20 -2.07 -1.26 -1.44 119.66 116.54 1ule s GLN 10 Ca 0.00 -1.29 0.03 0.00 -1.82 0.00 0.00 55.36 52.27 1ule s GLN 10 Cb 0.00 0.56 0.01 0.00 -1.09 0.00 0.00 33.01 32.48 1ule s GLN 10 CO 0.00 -0.84 -0.11 0.14 -1.32 0.00 0.00 175.29 173.16 1ule s VAL 11 N -3.35 0.97 -0.34 3.63 -7.23 -0.24 -4.80 120.40 109.04 1ule s VAL 11 Ca 0.18 -0.43 -0.25 0.00 -1.81 0.00 0.00 61.98 59.67 1ule s VAL 11 Cb -0.04 -0.87 0.01 0.00 0.56 0.00 0.00 36.38 36.04 1ule s VAL 11 CO 0.11 0.30 0.87 -0.75 -0.31 0.00 0.00 175.10 175.32 1ule s LYS 12 N 0.39 3.89 0.28 4.82 2.47 -1.26 -1.97 119.74 128.36 1ule s LYS 12 Ca -0.08 0.59 -0.29 0.00 -1.56 0.00 0.00 55.97 54.63 1ule s LYS 12 Cb -0.12 -3.77 -0.10 0.00 -1.46 0.00 0.00 37.83 32.38 1ule s LYS 12 CO 0.02 -0.84 1.28 -0.51 0.16 0.00 0.00 175.35 175.46 1ule s LEU 13 N 3.26 4.44 0.42 5.43 1.43 -0.46 -4.92 118.68 128.30 1ule s LEU 13 Ca 0.36 2.52 0.13 0.00 -1.03 0.00 0.00 54.13 56.11 1ule s LEU 13 Cb -0.13 -3.63 0.92 0.00 0.03 0.00 0.00 46.19 43.38 1ule s LEU 13 CO 0.16 -0.47 1.96 -0.61 0.23 0.00 0.00 176.35 177.62 1ule h GLN 14 N 4.17 0.09 -4.42 1.70 5.75 -1.95 -3.44 115.11 117.01 1ule h GLN 14 Ca -0.47 -0.02 -0.20 0.00 -0.15 0.00 0.00 58.65 57.81 1ule h GLN 14 Cb 1.22 -0.01 -0.18 0.00 1.07 0.00 0.00 27.48 29.58 1ule h GLN 14 CO 0.70 0.25 -0.70 -0.80 -2.65 0.00 0.00 178.83 175.63 1ule s ASN 15 N -6.96 0.76 0.35 -0.69 -0.87 -1.26 -5.13 114.94 101.15 1ule s ASN 15 Ca -0.04 -0.80 -0.28 0.00 -1.57 0.00 0.00 52.86 50.16 1ule s ASN 15 Cb 0.16 0.11 -0.10 0.00 -0.02 0.00 0.00 41.25 41.39 1ule s ASN 15 CO 0.71 -0.40 1.37 -1.81 -2.57 0.00 0.00 177.10 174.40 1ule s ASP 16 N -2.37 6.58 -0.44 -1.22 1.01 -1.26 -4.92 116.67 114.05 1ule s ASP 16 Ca 0.00 2.82 -0.26 0.00 0.71 0.00 0.00 52.55 55.83 1ule s ASP 16 Cb -0.01 -2.66 0.02 0.00 1.01 0.00 0.00 42.92 41.29 1ule s ASP 16 CO -0.04 -0.68 0.93 0.12 0.21 0.00 0.00 175.17 175.71 1ule s PHE 17 N -1.14 2.95 0.23 4.23 5.36 0.61 -4.92 117.98 125.30 1ule s PHE 17 Ca 0.51 0.48 0.04 0.00 -0.96 0.00 0.00 56.93 57.00 1ule s PHE 17 Cb -0.42 -3.93 -0.02 0.00 -0.34 0.00 0.00 43.02 38.31 1ule s PHE 17 CO 0.56 -1.05 0.16 0.36 -1.46 0.00 0.00 175.22 173.79 1ule n LYS 18 N 7.12 0.40 -1.55 10.12 2.85 -1.26 -1.79 118.16 134.05 1ule n LYS 18 Ca 0.07 -2.20 -0.51 0.00 -1.05 0.00 0.00 58.31 54.62 1ule n LYS 18 Cb 0.48 1.61 -0.05 0.00 -0.65 0.00 0.00 35.03 36.43 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 -0.47 0.84 0.00 -1.58 -0.02 -1.26 -0.45 135.00 132.06 1ule n PRO 19 Ca 0.02 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1ule n PRO 19 Cb 0.40 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 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 1.75 0.00 -1.85 -0.52 -0.58 0.78 -4.96 120.64 115.25 1ule n GLU 20 Ca 0.17 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.53 1ule n GLU 20 Cb 0.21 -0.27 0.04 0.00 -0.57 0.00 0.00 31.44 30.85 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 -0.46 5.14 -0.05 1.62 0.01 0.41 -3.65 113.70 116.71 1ule s SER 21 Ca 0.00 2.62 0.01 0.00 1.31 0.00 0.00 55.95 59.90 1ule s SER 21 Cb 0.00 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.63 1ule s SER 21 CO 0.00 -1.65 -0.06 -0.69 0.41 0.00 0.00 173.24 171.26 1ule s VAL 22 N -1.40 0.64 -0.20 3.43 1.01 -0.05 -1.91 120.40 121.92 1ule s VAL 22 Ca 0.75 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.55 1ule s VAL 22 Cb -0.37 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.39 1ule s VAL 22 CO 0.42 0.25 -0.15 0.00 0.00 0.00 0.00 175.10 175.61 1ule s ALA 23 N 0.88 2.46 -0.38 5.51 0.00 0.12 0.41 121.76 130.75 1ule s ALA 23 Ca -0.12 -1.33 -0.07 0.00 0.00 0.00 0.00 51.96 50.44 1ule s ALA 23 Cb -0.15 -1.36 0.06 0.00 0.00 0.00 0.00 23.12 21.68 1ule s ALA 23 CO 0.01 -0.55 0.19 0.00 0.00 0.00 0.00 175.76 175.41 1ule s ALA 24 N 1.28 3.17 -0.21 0.00 0.00 0.00 -0.85 121.76 125.16 1ule s ALA 24 Ca 0.02 -2.01 -0.13 0.00 0.00 0.00 0.00 51.96 49.84 1ule s ALA 24 Cb -0.15 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 1ule s ALA 24 CO -0.10 -1.53 0.28 0.42 0.00 0.00 0.00 175.76 174.83 1ule s ILE 25 N 1.39 5.29 -0.03 0.00 1.01 0.69 -1.70 121.20 127.86 1ule s ILE 25 Ca 0.02 0.46 0.02 0.00 0.00 0.00 0.00 60.65 61.14 1ule s ILE 25 Cb -0.21 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1ule s ILE 25 CO 0.02 0.32 -0.08 -0.13 0.00 0.00 0.00 174.94 175.07 1ule s ARG 26 N 1.02 0.91 -0.07 2.79 0.52 0.27 -0.65 118.95 123.74 1ule s ARG 26 Ca 0.14 -0.27 -0.03 0.00 -0.52 0.00 0.00 55.73 55.05 1ule s ARG 26 Cb -0.14 -0.85 -0.04 0.00 0.52 0.00 0.00 34.95 34.44 1ule s ARG 26 CO 0.05 0.09 0.06 0.45 0.02 0.00 0.00 175.30 175.96 1ule s SER 27 N 0.27 5.62 0.00 0.23 0.15 -0.47 -0.28 113.70 119.22 1ule s SER 27 Ca -0.04 0.22 0.31 0.00 0.70 0.00 0.00 55.95 57.14 1ule s SER 27 Cb -0.09 -1.65 1.75 0.00 -1.71 0.00 0.00 66.02 64.32 1ule s SER 27 CO 0.00 0.36 2.15 -1.54 1.20 0.00 0.00 173.24 175.41 1ule n SER 28 N 1.84 0.08 -3.85 5.45 3.41 -1.26 -3.85 113.62 115.44 1ule n SER 28 Ca -0.17 -0.79 -0.08 0.00 -0.26 0.00 0.00 58.87 57.57 1ule n SER 28 Cb 0.54 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 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 -2.16 -0.97 -0.16 7.33 0.00 -0.97 -4.70 121.76 120.14 1ule s ALA 29 Ca 0.42 -0.38 -0.03 0.00 0.00 0.00 0.00 51.96 51.97 1ule s ALA 29 Cb 0.21 0.90 0.05 0.00 0.00 0.00 0.00 23.12 24.29 1ule s ALA 29 CO 0.40 -0.94 0.04 0.12 0.00 0.00 0.00 175.76 175.37 1ule s PHE 30 N -3.93 0.75 -0.62 0.00 5.36 -1.20 -4.03 117.98 114.31 1ule s PHE 30 Ca 0.13 -0.55 -0.19 0.00 -0.96 0.00 0.00 56.93 55.35 1ule s PHE 30 Cb -0.04 -0.89 0.11 0.00 -0.34 0.00 0.00 43.02 41.86 1ule s PHE 30 CO 0.05 -0.51 0.74 -0.80 -1.46 0.00 0.00 175.22 173.24 1ule s ASN 31 N 1.95 6.22 0.46 6.13 0.01 0.24 -4.93 114.94 125.02 1ule s ASN 31 Ca 0.01 -1.47 0.22 0.00 -0.71 0.00 0.00 52.86 50.91 1ule s ASN 31 Cb -0.16 -2.31 1.22 0.00 0.41 0.00 0.00 41.25 40.41 1ule s ASN 31 CO -0.07 -1.12 1.86 0.28 -1.51 0.00 0.00 177.10 176.53 1ule h SER 32 N 9.16 0.27 -0.62 -1.22 0.02 -1.94 0.29 113.55 119.51 1ule h SER 32 Ca -0.26 0.03 -0.18 0.00 -0.84 0.00 0.00 61.79 60.54 1ule h SER 32 Cb 1.08 -0.02 -0.11 0.00 0.14 0.00 0.00 62.40 63.50 1ule h SER 32 CO 1.10 0.10 0.23 0.29 -1.14 0.00 0.00 176.83 177.41 1ule n LYS 33 N -4.44 3.25 -1.66 3.45 4.76 -1.26 -4.97 118.16 117.29 1ule n LYS 33 Ca 0.20 -2.53 -0.31 0.00 -2.87 0.00 0.00 58.31 52.80 1ule n LYS 33 Cb 0.81 -2.06 0.04 0.00 -1.84 0.00 0.00 35.03 31.98 1ule n LYS 33 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1ule s GLY 34 N -0.74 1.69 0.00 0.72 0.00 0.09 -5.04 107.32 104.05 1ule s GLY 34 Ca 0.45 0.06 0.00 0.00 0.00 0.00 0.00 44.72 45.24 1ule s GLY 34 CO 0.11 0.36 0.00 0.61 0.00 0.00 0.00 173.10 174.18 1ule n GLY 35 N -2.11 2.72 3.69 0.20 0.00 0.18 -4.81 105.19 105.06 1ule n GLY 35 Ca 0.07 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 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 2.18 2.71 -0.07 2.61 2.01 -1.26 -4.38 115.64 119.44 1ule s THR 36 Ca 0.00 0.14 0.04 0.00 0.31 0.00 0.00 61.69 62.18 1ule s THR 36 Cb 0.00 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 1ule s THR 36 CO 0.00 -0.00 -0.21 -0.89 -0.69 0.00 0.00 174.62 172.83 1ule s THR 37 N 2.97 2.41 -0.01 -0.82 2.01 -0.42 -4.33 115.64 117.45 1ule s THR 37 Ca 0.80 -0.93 0.06 0.00 0.31 0.00 0.00 61.69 61.93 1ule s THR 37 Cb -0.44 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 1ule s THR 37 CO 0.36 0.56 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.97 1ule s VAL 38 N -0.13 1.53 -0.09 3.82 1.01 0.12 -0.78 120.40 125.87 1ule s VAL 38 Ca -0.03 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1ule s VAL 38 Cb -0.14 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 34.98 1ule s VAL 38 CO 0.04 0.42 -0.12 -0.36 0.00 0.00 0.00 175.10 175.08 1ule s PHE 39 N -0.47 1.62 -0.04 5.22 0.40 -0.50 -0.33 117.98 123.89 1ule s PHE 39 Ca 0.07 -0.71 0.06 0.00 -0.60 0.00 0.00 56.93 55.75 1ule s PHE 39 Cb -0.07 -1.22 -0.01 0.00 0.51 0.00 0.00 43.02 42.22 1ule s PHE 39 CO -0.01 -0.40 -0.23 -0.80 0.70 0.00 0.00 175.22 174.48 1ule s ASN 40 N 1.05 2.78 -0.29 1.36 0.01 -0.30 -1.12 114.94 118.43 1ule s ASN 40 Ca -0.07 -0.45 -0.10 0.00 -0.71 0.00 0.00 52.86 51.54 1ule s ASN 40 Cb -0.15 -0.54 -0.03 0.00 0.41 0.00 0.00 41.25 40.94 1ule s ASN 40 CO -0.01 0.25 0.16 -0.36 -1.51 0.00 0.00 177.10 175.63 1ule s PHE 41 N -0.32 3.18 0.05 2.20 0.40 -0.39 -0.03 117.98 123.06 1ule s PHE 41 Ca 0.03 -0.20 0.05 0.00 -0.60 0.00 0.00 56.93 56.20 1ule s PHE 41 Cb -0.11 -2.35 -0.04 0.00 0.51 0.00 0.00 43.02 41.03 1ule s PHE 41 CO 0.01 -0.30 -0.08 -0.51 0.70 0.00 0.00 175.22 175.05 1ule s LEU 42 N 1.69 3.13 0.70 -0.37 1.43 0.35 -1.44 118.68 124.18 1ule s LEU 42 Ca 0.06 -0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 52.87 1ule s LEU 42 Cb -0.16 -1.85 0.08 0.00 0.03 0.00 0.00 46.19 44.28 1ule s LEU 42 CO 0.08 0.24 0.99 -0.94 0.23 0.00 0.00 176.35 176.95 1ule s SER 43 N -1.77 4.67 0.46 2.29 1.04 -0.70 0.78 113.70 120.47 1ule s SER 43 Ca 0.19 0.20 0.15 0.00 0.48 0.00 0.00 55.95 56.98 1ule s SER 43 Cb -0.11 -0.80 1.10 0.00 0.10 0.00 0.00 66.02 66.32 1ule s SER 43 CO 0.11 -1.66 2.01 0.00 0.98 0.00 0.00 173.24 174.67 1ule h ALA 44 N -0.55 2.07 -0.34 5.32 0.00 -1.92 0.74 119.26 124.58 1ule h ALA 44 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1ule h ALA 44 Cb 1.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ule h ALA 44 CO 0.53 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 180.00 1ule n GLY 45 N -1.54 1.28 2.31 0.00 0.00 -1.26 -4.91 105.19 101.08 1ule n GLY 45 Ca 0.08 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 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 0.48 -1.43 -3.08 1.61 1.02 0.25 -4.74 120.64 114.75 1ule n GLU 46 Ca 0.13 0.66 -0.35 0.00 -0.02 0.00 0.00 57.16 57.58 1ule n GLU 46 Cb 0.46 -4.92 -0.06 0.00 -0.02 0.00 0.00 31.44 26.90 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 -2.44 6.98 -0.79 1.62 0.01 -1.26 -3.93 114.94 115.12 1ule s ASN 47 Ca 0.03 1.41 -0.18 0.00 -0.71 0.00 0.00 52.86 53.41 1ule s ASN 47 Cb -0.01 -2.42 0.14 0.00 0.41 0.00 0.00 41.25 39.37 1ule s ASN 47 CO 0.04 -0.07 0.92 -0.63 -1.51 0.00 0.00 177.10 175.85 1ule s ILE 48 N -1.71 4.91 0.09 0.60 1.01 0.13 -1.71 121.20 124.53 1ule s ILE 48 Ca 0.48 -1.51 -0.19 0.00 0.00 0.00 0.00 60.65 59.43 1ule s ILE 48 Cb -0.14 -4.62 -0.07 0.00 0.01 0.00 0.00 42.46 37.63 1ule s ILE 48 CO 0.20 -1.29 1.57 -0.07 0.00 0.00 0.00 174.94 175.34 1ule h LEU 49 N 9.79 0.40 -7.55 2.97 3.38 -1.49 -1.70 115.31 121.11 1ule h LEU 49 Ca -0.02 -0.25 -0.41 0.00 0.09 0.00 0.00 57.88 57.29 1ule h LEU 49 Cb 1.05 -0.11 -0.37 0.00 0.09 0.00 0.00 40.66 41.33 1ule h LEU 49 CO 1.03 0.54 -0.76 -0.22 0.09 0.00 0.00 178.44 179.12 1ule s LEU 50 N -9.63 0.82 -0.18 1.67 2.96 -1.18 -4.61 118.68 108.54 1ule s LEU 50 Ca -0.14 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.69 1ule s LEU 50 Cb 0.08 -0.39 -0.00 0.00 0.50 0.00 0.00 46.19 46.37 1ule s LEU 50 CO 0.73 -0.15 -0.12 -2.28 -1.32 0.00 0.00 176.35 173.21 1ule s HIS 51 N 1.59 2.84 -0.26 5.38 5.65 0.09 -1.26 115.29 129.32 1ule s HIS 51 Ca -0.01 -1.04 0.03 0.00 0.25 0.00 0.00 55.06 54.28 1ule s HIS 51 Cb -0.13 -1.96 0.06 0.00 -1.18 0.00 0.00 32.58 29.38 1ule s HIS 51 CO -0.03 -0.51 -0.10 0.42 -0.65 0.00 0.00 174.74 173.86 1ule s ILE 52 N 1.03 2.22 -0.42 0.89 1.01 -0.28 -2.14 121.20 123.51 1ule s ILE 52 Ca -0.01 -1.63 -0.04 0.00 0.00 0.00 0.00 60.65 58.97 1ule s ILE 52 Cb -0.15 -2.31 0.11 0.00 0.01 0.00 0.00 42.46 40.12 1ule s ILE 52 CO -0.02 -0.04 0.23 -0.55 0.00 0.00 0.00 174.94 174.55 1ule s SER 53 N 1.11 5.34 -0.33 3.58 0.15 -0.02 -1.41 113.70 122.12 1ule s SER 53 Ca -0.09 -1.98 -0.25 0.00 0.70 0.00 0.00 55.95 54.34 1ule s SER 53 Cb -0.20 -1.86 0.01 0.00 -1.71 0.00 0.00 66.02 62.25 1ule s SER 53 CO -0.05 -0.57 0.87 -0.63 1.20 0.00 0.00 173.24 174.06 1ule s ILE 54 N 1.19 4.69 -0.45 6.45 1.01 0.04 -0.91 121.20 133.22 1ule s ILE 54 Ca 0.07 1.23 0.04 0.00 0.00 0.00 0.00 60.65 61.99 1ule s ILE 54 Cb -0.23 -4.24 0.12 0.00 0.01 0.00 0.00 42.46 38.11 1ule s ILE 54 CO -0.03 -0.38 0.18 -0.13 0.00 0.00 0.00 174.94 174.57 1ule s ARG 55 N 3.21 1.78 0.17 2.79 0.52 0.58 -1.31 118.95 126.69 1ule s ARG 55 Ca 0.36 -2.31 -0.14 0.00 -0.52 0.00 0.00 55.73 53.11 1ule s ARG 55 Cb -0.13 -3.28 0.06 0.00 0.52 0.00 0.00 34.95 32.12 1ule s ARG 55 CO 0.15 -1.04 1.82 -1.35 0.02 0.00 0.00 175.30 174.90 1ule h PRO 56 N 6.97 0.72 -0.75 3.54 0.11 -1.82 0.22 132.00 140.98 1ule h PRO 56 Ca -0.06 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 1ule h PRO 56 Cb 0.95 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.86 1ule h PRO 56 CO 0.62 0.50 0.45 0.78 -0.21 0.00 0.00 178.00 180.14 1ule h GLY 57 N 0.72 1.10 1.10 -0.55 0.00 -1.93 -2.10 103.07 101.41 1ule h GLY 57 Ca 0.19 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1ule h GLY 57 CO -0.04 0.45 -0.30 -2.21 0.00 0.00 0.00 176.54 174.44 1ule n GLU 58 N -4.50 0.22 -3.57 4.80 2.13 -1.13 -4.95 120.64 113.64 1ule n GLU 58 Ca 0.07 -0.10 -0.23 0.00 0.66 0.00 0.00 57.16 57.56 1ule n GLU 58 Cb 0.06 -1.50 0.08 0.00 0.27 0.00 0.00 31.44 30.36 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 -1.30 -5.72 -3.79 4.31 5.15 0.66 -4.97 115.26 109.59 1ule n ASN 59 Ca 0.08 -0.55 -0.09 0.00 -0.60 0.00 0.00 54.58 53.42 1ule n ASN 59 Cb 0.33 -5.05 -0.07 0.00 -0.53 0.00 0.00 39.78 34.46 1ule n ASN 59 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1ule s VAL 60 N -3.33 0.12 -0.14 3.44 -7.23 -0.60 -1.73 120.40 110.93 1ule s VAL 60 Ca 0.50 -0.99 0.02 0.00 -1.81 0.00 0.00 61.98 59.70 1ule s VAL 60 Cb -0.22 -1.27 0.01 0.00 0.56 0.00 0.00 36.38 35.47 1ule s VAL 60 CO 0.73 -0.55 -0.21 -0.63 -0.31 0.00 0.00 175.10 174.13 1ule s ILE 61 N -3.76 2.03 -0.13 -0.62 1.01 0.52 -0.31 121.20 119.95 1ule s ILE 61 Ca 0.04 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.71 1ule s ILE 61 Cb 0.04 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 1ule s ILE 61 CO -0.11 0.54 -0.07 -0.69 0.00 0.00 0.00 174.94 174.62 1ule s VAL 62 N 0.88 3.61 -0.10 2.92 1.01 -0.08 -1.84 120.40 126.80 1ule s VAL 62 Ca -0.06 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1ule s VAL 62 Cb -0.15 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 1ule s VAL 62 CO -0.03 0.52 -0.11 -0.36 0.00 0.00 0.00 175.10 175.12 1ule s PHE 63 N 0.13 2.83 0.39 5.22 0.40 0.93 -0.84 117.98 127.05 1ule s PHE 63 Ca -0.03 -0.30 -0.13 0.00 -0.60 0.00 0.00 56.93 55.86 1ule s PHE 63 Cb -0.14 -1.76 0.05 0.00 0.51 0.00 0.00 43.02 41.68 1ule s PHE 63 CO 0.03 0.05 0.76 1.21 0.70 0.00 0.00 175.22 177.98 1ule s ASN 64 N -0.23 0.16 0.06 1.36 3.84 -0.91 -1.92 114.94 117.30 1ule s ASN 64 Ca 0.02 -1.24 -0.07 0.00 0.21 0.00 0.00 52.86 51.77 1ule s ASN 64 Cb -0.13 0.84 -0.01 0.00 -0.55 0.00 0.00 41.25 41.41 1ule s ASN 64 CO 0.03 -1.68 0.14 -0.44 -2.79 0.00 0.00 177.10 172.36 1ule s SER 65 N -3.11 0.16 -0.23 -4.21 0.01 -1.26 -0.73 113.70 104.33 1ule s SER 65 Ca 0.18 -0.60 -0.27 0.00 1.31 0.00 0.00 55.95 56.57 1ule s SER 65 Cb -0.04 0.28 0.11 0.00 0.21 0.00 0.00 66.02 66.58 1ule s SER 65 CO 0.13 -0.62 0.94 -0.60 0.41 0.00 0.00 173.24 173.50 1ule s ARG 66 N -3.26 0.64 0.59 12.44 3.52 -0.64 -3.25 118.95 128.99 1ule s ARG 66 Ca 0.00 0.53 -0.13 0.00 -0.13 0.00 0.00 55.73 56.01 1ule s ARG 66 Cb 0.02 0.31 -0.05 0.00 -1.56 0.00 0.00 34.95 33.67 1ule s ARG 66 CO -0.08 -0.12 1.02 -0.51 -0.81 0.00 0.00 175.30 174.80 1ule s LEU 67 N -0.18 3.36 0.22 -0.88 1.43 -1.26 0.17 118.68 121.54 1ule s LEU 67 Ca 0.00 1.50 -0.19 0.00 -1.03 0.00 0.00 54.13 54.42 1ule s LEU 67 Cb -0.03 -4.49 0.20 0.00 0.03 0.00 0.00 46.19 41.90 1ule s LEU 67 CO -0.02 -0.85 1.56 0.50 0.23 0.00 0.00 176.35 177.78 1ule h LYS 68 N 0.08 -0.05 -0.60 1.70 3.64 -1.85 -0.54 116.57 118.94 1ule h LYS 68 Ca -0.45 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 58.64 1ule h LYS 68 Cb 1.19 0.01 -0.17 0.00 -0.41 0.00 0.00 32.23 32.85 1ule h LYS 68 CO 0.61 -0.03 0.21 0.09 -2.27 0.00 0.00 179.45 178.06 1ule n ASN 69 N -5.46 3.16 -4.05 4.20 5.03 -1.26 -5.00 115.26 111.88 1ule n ASN 69 Ca 0.08 -3.64 -0.19 0.00 0.87 0.00 0.00 54.58 51.70 1ule n ASN 69 Cb 0.39 -0.71 -0.00 0.00 -1.02 0.00 0.00 39.78 38.43 1ule n ASN 69 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ule n GLY 70 N -1.03 2.92 3.97 7.41 0.00 -0.21 -5.14 105.19 113.11 1ule n GLY 70 Ca 0.43 -2.27 -0.21 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.58 3.93 0.70 4.61 0.00 -1.26 -4.67 121.76 122.48 1ule s ALA 71 Ca 0.20 -1.21 -0.14 0.00 0.00 0.00 0.00 51.96 50.81 1ule s ALA 71 Cb -0.02 -1.76 0.02 0.00 0.00 0.00 0.00 23.12 21.36 1ule s ALA 71 CO 0.13 0.20 1.11 -1.58 0.00 0.00 0.00 175.76 175.62 1ule s TRP 72 N -2.03 2.55 0.00 0.00 0.52 -1.26 -4.57 118.94 114.15 1ule s TRP 72 Ca 0.35 1.56 0.00 0.00 0.02 0.00 0.00 56.10 58.03 1ule s TRP 72 Cb -0.09 -3.16 0.00 0.00 -1.15 0.00 0.00 33.47 29.07 1ule s TRP 72 CO 0.30 -1.80 0.00 0.41 0.02 0.00 0.00 176.95 175.88 1ule n GLY 73 N -0.62 2.88 3.76 0.98 0.00 -1.20 -5.05 105.19 105.93 1ule n GLY 73 Ca 0.10 -2.06 -0.38 0.00 0.00 0.00 0.00 46.02 43.68 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 1.63 3.32 0.08 1.61 0.04 -1.26 -4.93 135.00 135.49 1ule s PRO 74 Ca 0.00 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 62.96 1ule s PRO 74 Cb 0.00 -2.27 -0.06 0.00 0.04 0.00 0.00 34.50 32.21 1ule s PRO 74 CO 0.00 -0.99 0.44 -1.21 0.04 0.00 0.00 177.00 175.29 1ule s GLU 75 N -2.89 3.87 -0.20 4.56 2.02 -1.26 -4.80 118.70 119.99 1ule s GLU 75 Ca 0.70 0.33 -0.01 0.00 0.02 0.00 0.00 54.97 56.01 1ule s GLU 75 Cb -0.35 -3.04 0.02 0.00 0.10 0.00 0.00 34.13 30.85 1ule s GLU 75 CO 0.42 0.57 -0.14 -1.21 0.02 0.00 0.00 175.26 174.93 1ule s GLU 76 N -1.69 3.04 0.09 1.61 2.02 -0.81 -4.98 118.70 117.98 1ule s GLU 76 Ca 0.32 -0.82 0.04 0.00 0.02 0.00 0.00 54.97 54.53 1ule s GLU 76 Cb -0.15 -2.76 -0.03 0.00 0.10 0.00 0.00 34.13 31.29 1ule s GLU 76 CO 0.17 -0.25 -0.11 -0.98 0.02 0.00 0.00 175.26 174.11 1ule s ARG 77 N 1.34 0.84 0.06 1.61 1.70 -1.26 -0.05 118.95 123.19 1ule s ARG 77 Ca 0.04 -1.11 0.00 0.00 -0.47 0.00 0.00 55.73 54.19 1ule s ARG 77 Cb -0.14 -0.61 -0.04 0.00 -0.57 0.00 0.00 34.95 33.59 1ule s ARG 77 CO -0.09 0.11 -0.04 0.96 -1.08 0.00 0.00 175.30 175.15 1ule s ILE 78 N -2.14 0.39 0.34 4.99 -4.36 -0.76 -4.97 121.20 114.69 1ule s ILE 78 Ca 0.04 -1.73 -0.28 0.00 -0.26 0.00 0.00 60.65 58.41 1ule s ILE 78 Cb -0.05 -1.42 -0.10 0.00 1.25 0.00 0.00 42.46 42.14 1ule s ILE 78 CO 0.01 -0.88 1.34 -2.16 0.24 0.00 0.00 174.94 173.49 1ule s PRO 79 N -3.55 4.28 0.14 0.37 0.04 -1.26 -0.35 135.00 134.67 1ule s PRO 79 Ca 0.06 2.29 -0.06 0.00 0.04 0.00 0.00 61.00 63.33 1ule s PRO 79 Cb 0.05 -3.03 -0.06 0.00 0.04 0.00 0.00 34.50 31.50 1ule s PRO 79 CO -0.07 -0.28 1.35 -0.92 0.04 0.00 0.00 177.00 177.13 1ule h TYR 80 N 3.26 0.75 -3.00 0.56 3.20 -1.59 -3.43 116.97 116.73 1ule h TYR 80 Ca -0.49 -0.35 -0.58 0.00 3.14 0.00 0.00 58.73 60.44 1ule h TYR 80 Cb 1.23 -0.11 0.10 0.00 1.54 0.00 0.00 36.73 39.50 1ule h TYR 80 CO 0.55 1.15 0.44 0.00 -1.64 0.00 0.00 178.16 178.66 1ule n ALA 81 N -2.56 0.90 -3.54 1.82 0.00 -1.26 -3.38 120.51 112.49 1ule n ALA 81 Ca -0.06 0.38 -0.19 0.00 0.00 0.00 0.00 53.44 53.56 1ule n ALA 81 Cb 0.76 -2.20 0.06 0.00 0.00 0.00 0.00 19.45 18.07 1ule n ALA 81 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ule n GLU 82 N 0.86 -5.14 0.00 0.00 1.02 -1.26 -4.92 120.64 111.19 1ule n GLU 82 Ca 0.07 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 1ule n GLU 82 Cb 0.34 -5.47 0.00 0.00 -0.02 0.00 0.00 31.44 26.29 1ule n GLU 82 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ule n LYS 83 N -4.10 0.00 -3.86 3.49 4.76 -1.22 -4.55 118.16 112.69 1ule n LYS 83 Ca -0.26 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 54.84 1ule n LYS 83 Cb 0.67 -0.79 -0.05 0.00 -1.84 0.00 0.00 35.03 33.02 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 -1.99 3.55 -0.30 2.13 0.40 -1.26 -1.10 117.98 119.41 1ule s PHE 84 Ca 0.00 0.41 -0.01 0.00 -0.60 0.00 0.00 56.93 56.73 1ule s PHE 84 Cb 0.00 -1.87 0.05 0.00 0.51 0.00 0.00 43.02 41.71 1ule s PHE 84 CO 0.00 0.62 -0.02 0.50 0.70 0.00 0.00 175.22 177.02 1ule s ARG 85 N -2.01 2.38 0.72 0.44 3.52 -1.26 -4.93 118.95 117.82 1ule s ARG 85 Ca 0.29 -1.29 -0.11 0.00 -0.13 0.00 0.00 55.73 54.49 1ule s ARG 85 Cb -0.13 -3.14 0.03 0.00 -1.56 0.00 0.00 34.95 30.15 1ule s ARG 85 CO 0.20 -0.62 1.07 -1.25 -0.81 0.00 0.00 175.30 173.89 1ule s PRO 86 N 1.22 2.68 0.00 5.12 0.04 -1.26 -2.34 135.00 140.46 1ule s PRO 86 Ca -0.06 1.05 0.27 0.00 0.04 0.00 0.00 61.00 62.31 1ule s PRO 86 Cb -0.20 -1.95 0.87 0.00 0.04 0.00 0.00 34.50 33.26 1ule s PRO 86 CO -0.02 -1.30 1.64 -0.35 0.04 0.00 0.00 177.00 177.01 1ule n PRO 87 N -3.24 1.71 -3.37 0.56 -0.04 -1.26 -4.87 135.00 124.49 1ule n PRO 87 Ca 0.08 -1.09 -0.27 0.00 -0.04 0.00 0.00 63.50 62.18 1ule n PRO 87 Cb 0.53 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.31 3.83 -4.75 3.54 5.03 -1.20 -2.28 115.26 119.73 1ule n ASN 88 Ca 0.18 -3.47 -0.33 0.00 0.87 0.00 0.00 54.58 51.83 1ule n ASN 88 Cb 0.40 -0.66 0.08 0.00 -1.02 0.00 0.00 39.78 38.58 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 -2.58 2.38 0.15 3.52 0.04 -0.99 -4.69 135.00 132.83 1ule s PRO 89 Ca 0.41 1.51 -0.02 0.00 0.04 0.00 0.00 61.00 62.94 1ule s PRO 89 Cb 0.16 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 1ule s PRO 89 CO -0.02 -1.60 0.11 -1.54 0.04 0.00 0.00 177.00 173.98 1ule s SER 90 N -2.48 0.23 -0.08 6.66 1.04 -1.26 -1.37 113.70 116.44 1ule s SER 90 Ca 0.69 -1.22 -0.03 0.00 0.48 0.00 0.00 55.95 55.87 1ule s SER 90 Cb -0.23 0.34 0.04 0.00 0.10 0.00 0.00 66.02 66.27 1ule s SER 90 CO 0.45 -0.78 0.16 -0.63 0.98 0.00 0.00 173.24 173.42 1ule s ILE 91 N -4.07 -0.17 -0.12 -1.02 1.01 0.18 -3.99 121.20 113.02 1ule s ILE 91 Ca 0.27 0.27 0.01 0.00 0.00 0.00 0.00 60.65 61.21 1ule s ILE 91 Cb 0.07 -0.28 -0.01 0.00 0.01 0.00 0.00 42.46 42.25 1ule s ILE 91 CO 0.04 0.11 -0.18 -0.89 0.00 0.00 0.00 174.94 174.03 1ule s THR 92 N 1.79 2.61 -0.11 2.92 2.01 0.32 -0.22 115.64 124.96 1ule s THR 92 Ca -0.03 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.19 1ule s THR 92 Cb -0.12 -2.06 0.01 0.00 0.01 0.00 0.00 72.50 70.33 1ule s THR 92 CO -0.06 0.54 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.50 1ule s VAL 93 N 0.43 1.90 -0.07 3.82 1.01 -0.03 -0.85 120.40 126.61 1ule s VAL 93 Ca -0.13 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 60.98 1ule s VAL 93 Cb -0.17 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1ule s VAL 93 CO 0.06 0.52 -0.19 -0.63 0.00 0.00 0.00 175.10 174.86 1ule s ILE 94 N 0.57 1.60 -0.39 2.22 1.01 -0.25 -0.70 121.20 125.25 1ule s ILE 94 Ca -0.14 -0.78 -0.21 0.00 0.00 0.00 0.00 60.65 59.52 1ule s ILE 94 Cb -0.17 -1.39 0.01 0.00 0.01 0.00 0.00 42.46 40.92 1ule s ILE 94 CO 0.04 0.46 0.66 -0.62 0.00 0.00 0.00 174.94 175.48 1ule s ASP 95 N 0.26 6.39 -0.29 3.58 -1.08 -0.80 -0.75 116.67 123.99 1ule s ASP 95 Ca -0.11 -0.03 0.11 0.00 -0.52 0.00 0.00 52.55 52.00 1ule s ASP 95 Cb -0.15 -2.33 0.74 0.00 -1.46 0.00 0.00 42.92 39.72 1ule s ASP 95 CO 0.05 -0.69 1.75 1.41 0.52 0.00 0.00 175.17 178.21 1ule n HIS 96 N 6.20 2.21 0.00 -5.34 8.25 0.45 -0.16 115.22 126.83 1ule n HIS 96 Ca -0.01 -1.10 0.00 0.00 -0.26 0.00 0.00 57.72 56.36 1ule n HIS 96 Cb 0.48 -0.62 0.00 0.00 1.12 0.00 0.00 29.99 30.98 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 -0.07 2.06 0.06 -1.41 0.00 -1.26 -4.21 105.19 100.36 1ule n GLY 97 Ca 0.36 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.27 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 3.94 0.90 -3.59 1.61 5.75 -1.26 -4.92 116.55 118.98 1ule n ASP 98 Ca 0.00 -0.76 -0.09 0.00 -0.01 0.00 0.00 54.79 53.93 1ule n ASP 98 Cb 0.00 0.62 -0.02 0.00 -1.03 0.00 0.00 41.12 40.69 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 -2.93 1.30 0.01 0.11 1.70 -1.26 -1.89 118.95 116.00 1ule s ARG 99 Ca 0.11 -0.59 -0.01 0.00 -0.47 0.00 0.00 55.73 54.77 1ule s ARG 99 Cb 0.17 0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 35.04 1ule s ARG 99 CO 0.76 -0.58 0.14 -0.06 -1.08 0.00 0.00 175.30 174.48 1ule s PHE 100 N -3.61 3.41 -0.15 5.89 0.40 0.20 -0.42 117.98 123.72 1ule s PHE 100 Ca 0.06 0.26 -0.02 0.00 -0.60 0.00 0.00 56.93 56.63 1ule s PHE 100 Cb -0.02 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 41.72 1ule s PHE 100 CO -0.05 0.59 -0.09 -1.14 0.70 0.00 0.00 175.22 175.23 1ule s GLN 101 N -2.00 3.50 -0.11 0.44 0.74 0.08 -1.06 119.66 121.25 1ule s GLN 101 Ca 0.27 -0.61 0.03 0.00 0.05 0.00 0.00 55.36 55.10 1ule s GLN 101 Cb -0.12 -2.77 0.01 0.00 1.10 0.00 0.00 33.01 31.22 1ule s GLN 101 CO 0.19 0.20 -0.20 0.42 -0.55 0.00 0.00 175.29 175.35 1ule s ILE 102 N 0.42 1.77 -0.06 -2.34 1.09 0.14 -1.09 121.20 121.14 1ule s ILE 102 Ca -0.07 -0.83 0.04 0.00 -1.10 0.00 0.00 60.65 58.68 1ule s ILE 102 Cb -0.15 -1.57 0.00 0.00 -1.06 0.00 0.00 42.46 39.68 1ule s ILE 102 CO 0.04 0.50 -0.17 -0.13 -0.10 0.00 0.00 174.94 175.08 1ule s ARG 103 N 0.65 1.99 0.00 2.79 1.81 -0.03 -0.03 118.95 126.13 1ule s ARG 103 Ca -0.13 -0.60 0.00 0.00 -1.72 0.00 0.00 55.73 53.28 1ule s ARG 103 Cb -0.16 -1.65 0.00 0.00 -0.45 0.00 0.00 34.95 32.69 1ule s ARG 103 CO 0.03 0.17 0.00 1.19 -0.68 0.00 0.00 175.30 176.02 1ule n PHE 104 N 3.39 0.00 0.09 -0.53 3.01 -1.26 -0.52 117.46 121.64 1ule n PHE 104 Ca -0.20 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.13 1ule n PHE 104 Cb 0.53 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.91 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 0.39 -2.90 4.37 3.32 -1.24 -3.47 116.42 116.88 1ule h ASP 105 Ca 0.00 -0.37 -0.50 0.00 0.02 0.00 0.00 57.03 56.19 1ule h ASP 105 Cb 0.00 -0.12 -0.14 0.00 0.22 0.00 0.00 39.33 39.29 1ule h ASP 105 CO 0.00 1.23 -0.71 -0.31 -1.72 0.00 0.00 179.24 177.73 1ule s TYR 106 N -2.91 1.92 0.00 4.55 1.51 -0.39 -4.96 117.35 117.07 1ule s TYR 106 Ca -0.04 -0.59 0.00 0.00 -1.01 0.00 0.00 57.07 55.43 1ule s TYR 106 Cb 0.08 -0.99 0.00 0.00 -0.11 0.00 0.00 41.96 40.95 1ule s TYR 106 CO 0.86 0.38 0.00 0.41 -1.11 0.00 0.00 175.55 176.09 1ule n GLY 107 N -0.52 -1.71 3.81 0.71 0.00 -1.26 -4.74 105.19 101.47 1ule n GLY 107 Ca -0.06 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.72 2.50 0.77 2.61 -4.23 -1.26 -4.84 115.64 109.47 1ule s THR 108 Ca 0.00 0.16 -0.11 0.00 -1.18 0.00 0.00 61.69 60.56 1ule s THR 108 Cb 0.00 -2.94 0.05 0.00 1.34 0.00 0.00 72.50 70.95 1ule s THR 108 CO 0.00 -0.21 1.10 -0.44 -0.54 0.00 0.00 174.62 174.52 1ule s SER 109 N -4.04 4.50 -0.12 3.99 0.01 -1.26 -4.82 113.70 111.95 1ule s SER 109 Ca 0.62 1.86 -0.01 0.00 1.31 0.00 0.00 55.95 59.74 1ule s SER 109 Cb -0.14 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.54 1ule s SER 109 CO 0.53 -2.04 -0.10 -0.63 0.41 0.00 0.00 173.24 171.41 1ule s ILE 110 N -2.83 3.37 -0.15 1.44 1.09 0.95 -4.93 121.20 120.14 1ule s ILE 110 Ca 0.62 -0.56 -0.02 0.00 -1.10 0.00 0.00 60.65 59.59 1ule s ILE 110 Cb -0.18 -2.42 -0.02 0.00 -1.06 0.00 0.00 42.46 38.78 1ule s ILE 110 CO 0.54 0.53 -0.08 -0.31 -0.10 0.00 0.00 174.94 175.53 1ule s TYR 111 N 0.14 2.93 -0.23 3.97 1.51 -1.26 0.26 117.35 124.67 1ule s TYR 111 Ca -0.05 -0.52 0.01 0.00 -1.01 0.00 0.00 57.07 55.50 1ule s TYR 111 Cb -0.14 -1.93 0.05 0.00 -0.11 0.00 0.00 41.96 39.83 1ule s TYR 111 CO 0.04 -0.18 -0.08 -0.47 -1.11 0.00 0.00 175.55 173.76 1ule s TYR 112 N 0.51 2.50 0.27 2.71 5.04 -0.23 -4.97 117.35 123.19 1ule s TYR 112 Ca -0.06 -1.77 -0.30 0.00 -2.44 0.00 0.00 57.07 52.51 1ule s TYR 112 Cb -0.15 -1.64 -0.11 0.00 0.35 0.00 0.00 41.96 40.42 1ule s TYR 112 CO 0.03 -0.78 1.49 -0.80 -1.34 0.00 0.00 175.55 174.15 1ule s ASN 113 N 1.36 6.56 0.35 4.32 0.01 -1.26 -0.63 114.94 125.64 1ule s ASN 113 Ca -0.05 2.77 -0.29 0.00 -0.71 0.00 0.00 52.86 54.59 1ule s ASN 113 Cb -0.18 -2.63 -0.11 0.00 0.41 0.00 0.00 41.25 38.74 1ule s ASN 113 CO -0.07 -0.77 1.46 -0.54 -1.51 0.00 0.00 177.10 175.67 1ule s LYS 114 N -0.54 4.18 -0.08 -0.60 1.02 -0.79 -4.88 119.74 118.05 1ule s LYS 114 Ca 0.60 2.47 0.04 0.00 0.02 0.00 0.00 55.97 59.10 1ule s LYS 114 Cb -0.44 -3.01 -0.08 0.00 -0.52 0.00 0.00 37.83 33.79 1ule s LYS 114 CO 0.46 -0.46 -0.01 0.54 -0.92 0.00 0.00 175.35 174.95 1ule n ARG 115 N 0.89 1.88 -3.90 1.68 1.74 -1.26 -4.92 116.66 112.78 1ule n ARG 115 Ca 0.02 0.02 -0.35 0.00 -0.77 0.00 0.00 57.85 56.77 1ule n ARG 115 Cb 0.40 -1.18 -0.14 0.00 -1.02 0.00 0.00 32.46 30.52 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 -2.17 3.08 -1.02 0.55 1.01 -1.26 -5.03 121.20 116.35 1ule s ILE 116 Ca -0.07 -1.30 -0.19 0.00 0.00 0.00 0.00 60.65 59.09 1ule s ILE 116 Cb 0.02 -2.74 -0.09 0.00 0.01 0.00 0.00 42.46 39.67 1ule s ILE 116 CO 0.26 -0.07 2.02 0.29 0.00 0.00 0.00 174.94 177.44 1ule n LYS 117 N 4.65 1.98 -3.94 2.79 4.76 -1.26 -4.84 118.16 122.30 1ule n LYS 117 Ca -0.14 -2.13 -0.09 0.00 -2.87 0.00 0.00 58.31 53.09 1ule n LYS 117 Cb 0.44 -3.07 -0.09 0.00 -1.84 0.00 0.00 35.03 30.47 1ule n LYS 117 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1ule s GLU 118 N 4.43 0.70 0.34 1.97 2.02 -1.26 -5.16 118.70 121.74 1ule s GLU 118 Ca 0.54 -0.96 -0.08 0.00 0.02 0.00 0.00 54.97 54.50 1ule s GLU 118 Cb 0.14 0.27 -0.06 0.00 0.10 0.00 0.00 34.13 34.58 1ule s GLU 118 CO 0.05 -0.19 0.66 -0.80 0.02 0.00 0.00 175.26 175.00 1ule s ASN 119 N -2.63 6.48 0.04 -0.19 0.01 -1.26 -5.02 114.94 112.37 1ule s ASN 119 Ca 0.02 0.92 -0.24 0.00 -0.71 0.00 0.00 52.86 52.85 1ule s ASN 119 Cb 0.04 -2.23 -0.06 0.00 0.41 0.00 0.00 41.25 39.41 1ule s ASN 119 CO -0.09 -0.29 0.71 0.00 -1.51 0.00 0.00 177.10 175.92 1ule s ALA 120 N -2.22 3.41 -0.40 0.60 0.00 -0.74 -4.36 121.76 118.05 1ule s ALA 120 Ca 0.47 0.21 0.13 0.00 0.00 0.00 0.00 51.96 52.77 1ule s ALA 120 Cb -0.10 -2.91 -0.16 0.00 0.00 0.00 0.00 23.12 19.94 1ule s ALA 120 CO 0.31 0.12 0.45 0.00 0.00 0.00 0.00 175.76 176.63 1ule n ALA 121 N 2.68 3.24 -3.21 0.00 0.00 0.23 -0.28 120.51 123.18 1ule n ALA 121 Ca -0.04 -0.34 -0.11 0.00 0.00 0.00 0.00 53.44 52.95 1ule n ALA 121 Cb 0.50 -0.45 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.43 -1.23 -0.10 0.00 0.00 -0.75 -1.35 121.76 115.90 1ule s ALA 122 Ca 0.02 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.19 1ule s ALA 122 Cb 0.09 0.79 0.01 0.00 0.00 0.00 0.00 23.12 24.01 1ule s ALA 122 CO 0.52 -0.71 -0.17 0.42 0.00 0.00 0.00 175.76 175.82 1ule s ILE 123 N -3.78 1.60 0.15 0.00 1.01 -0.83 -0.49 121.20 118.85 1ule s ILE 123 Ca 0.02 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 60.01 1ule s ILE 123 Cb 0.00 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1ule s ILE 123 CO -0.12 0.46 0.03 0.00 0.00 0.00 0.00 174.94 175.31 1ule s ALA 124 N 0.69 3.30 -0.11 9.38 0.00 0.96 -1.07 121.76 134.90 1ule s ALA 124 Ca -0.13 -1.27 -0.02 0.00 0.00 0.00 0.00 51.96 50.54 1ule s ALA 124 Cb -0.16 -1.12 0.04 0.00 0.00 0.00 0.00 23.12 21.87 1ule s ALA 124 CO 0.03 0.55 0.03 -0.47 0.00 0.00 0.00 175.76 175.90 1ule s TYR 125 N -1.61 0.61 -0.02 0.00 5.04 -0.52 -1.15 117.35 119.69 1ule s TYR 125 Ca 0.28 -0.28 0.04 0.00 -2.44 0.00 0.00 57.07 54.66 1ule s TYR 125 Cb -0.10 -0.79 -0.01 0.00 0.35 0.00 0.00 41.96 41.41 1ule s TYR 125 CO 0.19 -0.40 -0.14 -0.80 -1.34 0.00 0.00 175.55 173.07 1ule s ASN 126 N 2.00 1.70 -0.24 4.32 0.01 0.56 0.11 114.94 123.39 1ule s ASN 126 Ca 0.03 -0.26 -0.28 0.00 -0.71 0.00 0.00 52.86 51.64 1ule s ASN 126 Cb -0.14 -0.26 0.15 0.00 0.41 0.00 0.00 41.25 41.42 1ule s ASN 126 CO -0.06 0.16 1.16 0.00 -1.51 0.00 0.00 177.10 176.85 1ule s ALA 127 N -0.23 -2.03 -0.19 0.60 0.00 -1.26 0.13 121.76 118.77 1ule s ALA 127 Ca 0.03 1.74 -0.21 0.00 0.00 0.00 0.00 51.96 53.53 1ule s ALA 127 Cb -0.07 -1.25 -0.21 0.00 0.00 0.00 0.00 23.12 21.60 1ule s ALA 127 CO -0.00 -0.24 0.29 1.49 0.00 0.00 0.00 175.76 177.30 1ule h GLU 128 N 2.93 0.04 -2.61 0.00 4.57 -1.96 -3.42 114.58 114.14 1ule h GLU 128 Ca -0.20 -0.06 -0.60 0.00 -1.18 0.00 0.00 59.36 57.32 1ule h GLU 128 Cb 1.18 0.02 -0.40 0.00 -0.16 0.00 0.00 28.75 29.39 1ule h GLU 128 CO 0.22 1.03 -0.80 -1.71 -1.18 0.00 0.00 179.01 176.57 1ule n ASN 129 N -4.34 1.29 -4.61 1.04 5.15 -1.26 -5.06 115.26 107.48 1ule n ASN 129 Ca -0.30 -2.82 -0.41 0.00 -0.60 0.00 0.00 54.58 50.45 1ule n ASN 129 Cb 0.71 -0.65 0.01 0.00 -0.53 0.00 0.00 39.78 39.32 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 2.22 1.18 0.20 1.20 2.88 -1.26 0.50 113.62 120.53 1ule n SER 130 Ca 0.25 1.02 0.12 0.00 -1.33 0.00 0.00 58.87 58.94 1ule n SER 130 Cb 0.43 -1.35 0.18 0.00 -0.75 0.00 0.00 64.21 62.72 1ule n SER 130 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1ule h LEU 131 N 1.48 0.00 0.00 2.46 5.85 -1.83 -3.42 115.31 119.86 1ule h LEU 131 Ca -0.44 -0.00 -0.69 0.00 0.84 0.00 0.00 57.88 57.59 1ule h LEU 131 Cb 1.34 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.24 1ule h LEU 131 CO 0.56 0.00 -0.49 0.49 -0.34 0.00 0.00 178.44 178.66 1ule n PHE 132 N -2.97 1.20 -1.79 1.25 0.99 -1.26 -0.60 117.46 114.28 1ule n PHE 132 Ca 0.04 -2.60 -0.29 0.00 -0.00 0.00 0.00 57.45 54.60 1ule n PHE 132 Cb 0.52 -0.35 0.11 0.00 -1.00 0.00 0.00 39.48 38.76 1ule n PHE 132 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1ule s SER 133 N -3.90 4.13 -0.14 4.37 1.04 -1.26 -4.86 113.70 113.08 1ule s SER 133 Ca 0.00 0.82 -0.03 0.00 0.48 0.00 0.00 55.95 57.22 1ule s SER 133 Cb -0.00 -1.32 0.05 0.00 0.10 0.00 0.00 66.02 64.85 1ule s SER 133 CO 0.00 -2.14 0.04 -0.55 0.98 0.00 0.00 173.24 171.57 1ule s SER 134 N -4.42 2.23 0.89 7.02 0.15 -1.26 -3.95 113.70 114.36 1ule s SER 134 Ca 0.63 -0.47 -0.08 0.00 0.70 0.00 0.00 55.95 56.73 1ule s SER 134 Cb -0.12 -0.43 0.13 0.00 -1.71 0.00 0.00 66.02 63.89 1ule s SER 134 CO 0.50 -0.28 0.80 -0.81 1.20 0.00 0.00 173.24 174.66 1ule n PRO 135 N 5.15 -0.56 -4.40 5.44 -0.04 -1.26 -4.92 135.00 134.40 1ule n PRO 135 Ca -0.07 -1.45 -0.31 0.00 -0.04 0.00 0.00 63.50 61.63 1ule n PRO 135 Cb 0.49 -0.76 -0.11 0.00 -0.04 0.00 0.00 33.50 33.08 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 -2.61 3.24 0.07 0.52 -7.23 -0.55 -4.71 120.40 109.14 1ule s VAL 136 Ca 0.47 -1.14 -0.28 0.00 -1.81 0.00 0.00 61.98 59.22 1ule s VAL 136 Cb -0.02 -2.45 -0.05 0.00 0.56 0.00 0.00 36.38 34.42 1ule s VAL 136 CO 0.33 0.24 0.89 -0.89 -0.31 0.00 0.00 175.10 175.35 1ule s THR 137 N -1.08 4.64 -0.17 5.32 2.01 0.61 -2.15 115.64 124.82 1ule s THR 137 Ca 0.18 1.90 -0.01 0.00 0.31 0.00 0.00 61.69 64.07 1ule s THR 137 Cb -0.11 -4.24 0.04 0.00 0.01 0.00 0.00 72.50 68.20 1ule s THR 137 CO 0.10 0.31 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.62 1ule s VAL 138 N 0.12 0.96 -0.27 3.82 1.01 0.02 -0.57 120.40 125.49 1ule s VAL 138 Ca 0.44 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 1ule s VAL 138 Cb -0.22 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1ule s VAL 138 CO 0.27 0.06 0.11 -1.81 0.00 0.00 0.00 175.10 173.73 1ule s ASP 139 N 1.69 5.38 -0.18 3.32 1.01 -0.69 -0.04 116.67 127.17 1ule s ASP 139 Ca 0.00 -0.25 -0.04 0.00 0.71 0.00 0.00 52.55 52.97 1ule s ASP 139 Cb -0.16 -1.98 -0.02 0.00 1.01 0.00 0.00 42.92 41.78 1ule s ASP 139 CO -0.07 -0.08 -0.03 -0.69 0.21 0.00 0.00 175.17 174.51 1ule s VAL 140 N 1.64 3.83 0.06 -1.27 1.01 0.47 -0.81 120.40 125.32 1ule s VAL 140 Ca 0.06 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.73 1ule s VAL 140 Cb -0.16 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1ule s VAL 140 CO 0.06 0.46 -0.08 -1.00 0.00 0.00 0.00 175.10 174.54 1ule s HIS 141 N 0.70 2.81 -0.61 5.22 3.76 0.16 -1.39 115.29 125.95 1ule s HIS 141 Ca -0.01 -0.10 0.25 0.00 -0.15 0.00 0.00 55.06 55.04 1ule s HIS 141 Cb -0.14 -1.52 0.56 0.00 1.11 0.00 0.00 32.58 32.59 1ule s HIS 141 CO 0.02 0.40 1.61 0.78 -0.85 0.00 0.00 174.74 176.70 1ule h GLY 142 N 4.02 0.00 -3.28 -2.22 0.00 -1.86 -0.10 103.07 99.64 1ule h GLY 142 Ca -0.48 0.00 0.05 0.00 0.00 0.00 0.00 47.33 46.89 1ule h GLY 142 CO 0.53 0.00 0.36 0.48 0.00 0.00 0.00 176.54 177.91 1ule s LEU 143 N -4.93 -0.47 0.13 3.11 2.34 -1.24 -3.62 118.68 114.01 1ule s LEU 143 Ca 0.08 0.05 -0.32 0.00 0.06 0.00 0.00 54.13 54.01 1ule s LEU 143 Cb 0.11 2.29 -0.11 0.00 -0.56 0.00 0.00 46.19 47.91 1ule s LEU 143 CO 0.65 -0.76 1.81 -0.11 -1.06 0.00 0.00 176.35 176.88 1ule n LEU 144 N -0.21 3.98 -4.90 1.48 7.94 -1.25 -4.82 117.00 119.22 1ule n LEU 144 Ca -0.13 1.00 -0.29 0.00 -1.11 0.00 0.00 56.01 55.48 1ule n LEU 144 Cb 0.63 -1.54 0.08 0.00 0.53 0.00 0.00 43.42 43.12 1ule n LEU 144 CO 0.12 0.15 0.78 -2.16 -1.11 0.00 0.00 177.39 175.17 1ule s PRO 145 N 2.40 2.20 0.47 1.96 0.04 -1.26 -5.00 135.00 135.81 1ule s PRO 145 Ca 0.81 0.20 -0.25 0.00 0.04 0.00 0.00 61.00 61.80 1ule s PRO 145 Cb -0.50 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 31.99 1ule s PRO 145 CO 0.37 -1.45 1.40 -2.30 0.04 0.00 0.00 177.00 175.07 1ule n PRO 146 N -3.23 2.11 -3.86 0.56 -0.02 -1.26 -4.98 135.00 124.32 1ule n PRO 146 Ca 0.08 0.76 -0.37 0.00 -2.02 0.00 0.00 63.50 61.94 1ule n PRO 146 Cb 0.60 -2.60 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 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 -2.75 4.39 0.67 2.45 1.43 -1.26 -5.09 118.68 118.52 1ule s LEU 147 Ca 0.63 0.48 -0.14 0.00 -1.03 0.00 0.00 54.13 54.07 1ule s LEU 147 Cb -0.45 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 43.69 1ule s LEU 147 CO 0.56 0.40 1.10 -2.16 0.23 0.00 0.00 176.35 176.47 1ule s PRO 148 N -0.98 2.78 0.61 1.29 0.04 -1.26 -4.88 135.00 132.60 1ule s PRO 148 Ca 0.15 1.31 0.30 0.00 0.04 0.00 0.00 61.00 62.80 1ule s PRO 148 Cb -0.12 -1.95 1.66 0.00 0.04 0.00 0.00 34.50 34.12 1ule s PRO 148 CO 0.04 -1.26 2.03 -1.00 0.04 0.00 0.00 177.00 176.85 1ule h PRO 149 N -0.15 0.00 0.00 0.56 0.13 -2.06 -3.56 132.00 126.92 1ule h PRO 149 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ule h PRO 149 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ule h PRO 149 CO 0.54 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.31