#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ulc s LEU 2 N 0.00 4.21 0.08 -0.89 2.96 -1.26 -0.96 118.68 122.81 1ulc s LEU 2 Ca 0.00 0.48 0.06 0.00 -0.22 0.00 0.00 54.13 54.45 1ulc s LEU 2 Cb 0.00 -2.39 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 1ulc s LEU 2 CO 0.00 0.04 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.60 1ulc s TYR 3 N 0.77 1.44 -0.35 5.38 1.51 0.41 -5.00 117.35 121.51 1ulc s TYR 3 Ca 0.17 -0.44 -0.01 0.00 -1.01 0.00 0.00 57.07 55.78 1ulc s TYR 3 Cb -0.14 -0.80 0.08 0.00 -0.11 0.00 0.00 41.96 40.99 1ulc s TYR 3 CO 0.05 0.11 0.09 -1.01 -1.11 0.00 0.00 175.55 173.68 1ulc s HIS 4 N -1.20 3.49 -0.66 2.71 3.76 -1.26 -1.03 115.29 121.10 1ulc s HIS 4 Ca 0.01 -2.31 -0.20 0.00 -0.15 0.00 0.00 55.06 52.42 1ulc s HIS 4 Cb -0.10 -2.71 0.10 0.00 1.11 0.00 0.00 32.58 30.98 1ulc s HIS 4 CO 0.03 -0.90 0.83 -1.17 -0.85 0.00 0.00 174.74 172.68 1ulc s LEU 5 N 1.14 5.12 0.51 0.89 2.96 -0.92 -4.87 118.68 123.51 1ulc s LEU 5 Ca 0.03 -1.43 -0.20 0.00 -0.22 0.00 0.00 54.13 52.31 1ulc s LEU 5 Cb -0.21 -2.34 -0.07 0.00 0.50 0.00 0.00 46.19 44.07 1ulc s LEU 5 CO -0.04 -1.18 1.07 -0.36 -1.32 0.00 0.00 176.35 174.52 1ulc s PHE 6 N 2.98 2.88 0.67 5.38 0.40 -1.26 -1.85 117.98 127.18 1ulc s PHE 6 Ca 0.17 1.56 -0.17 0.00 -0.60 0.00 0.00 56.93 57.89 1ulc s PHE 6 Cb -0.19 -3.14 0.01 0.00 0.51 0.00 0.00 43.02 40.20 1ulc s PHE 6 CO 0.05 -1.10 1.27 0.54 0.70 0.00 0.00 175.22 176.68 1ulc s VAL 7 N -1.94 2.07 -1.53 -0.44 0.11 -1.26 -2.68 120.40 114.73 1ulc s VAL 7 Ca 0.69 0.04 -0.14 0.00 -2.93 0.00 0.00 61.98 59.64 1ulc s VAL 7 Cb -0.19 -2.91 0.11 0.00 -1.53 0.00 0.00 36.38 31.87 1ulc s VAL 7 CO 0.23 -0.01 0.78 0.59 -3.33 0.00 0.00 175.10 173.36 1ulc n ASN 8 N -2.15 -4.04 -0.50 3.54 3.02 0.61 -4.89 115.26 110.85 1ulc n ASN 8 Ca 0.15 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 1ulc n ASN 8 Cb 0.49 -3.27 0.00 0.00 -0.61 0.00 0.00 39.78 36.38 1ulc n ASN 8 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ulc n ASN 9 N -2.62 0.00 -3.26 6.41 2.85 -0.93 -5.00 115.26 112.71 1ulc n ASN 9 Ca 0.04 -0.50 -0.08 0.00 -0.11 0.00 0.00 54.58 53.92 1ulc n ASN 9 Cb 0.52 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.54 1ulc n ASN 9 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ulc s GLN 10 N -0.51 2.07 -0.04 1.20 -2.07 -1.26 -1.57 119.66 117.47 1ulc s GLN 10 Ca 0.00 -1.30 0.01 0.00 -1.82 0.00 0.00 55.36 52.24 1ulc s GLN 10 Cb 0.00 0.61 0.02 0.00 -1.09 0.00 0.00 33.01 32.56 1ulc s GLN 10 CO 0.00 -0.96 -0.02 0.14 -1.32 0.00 0.00 175.29 173.13 1ulc s VAL 11 N -2.88 0.39 -0.31 3.63 -7.23 -0.77 -4.83 120.40 108.40 1ulc s VAL 11 Ca 0.15 -0.02 -0.28 0.00 -1.81 0.00 0.00 61.98 60.01 1ulc s VAL 11 Cb -0.05 -0.45 0.01 0.00 0.56 0.00 0.00 36.38 36.45 1ulc s VAL 11 CO 0.10 0.20 1.04 -0.75 -0.31 0.00 0.00 175.10 175.38 1ulc s LYS 12 N 1.07 4.07 0.39 4.82 2.47 -1.26 -2.15 119.74 129.15 1ulc s LYS 12 Ca -0.09 1.04 -0.26 0.00 -1.56 0.00 0.00 55.97 55.11 1ulc s LYS 12 Cb -0.14 -3.73 -0.09 0.00 -1.46 0.00 0.00 37.83 32.42 1ulc s LYS 12 CO -0.01 -0.85 1.18 -0.51 0.16 0.00 0.00 175.35 175.32 1ulc s LEU 13 N 3.53 4.22 0.39 5.43 1.43 -0.50 -4.93 118.68 128.25 1ulc s LEU 13 Ca 0.44 2.38 0.15 0.00 -1.03 0.00 0.00 54.13 56.07 1ulc s LEU 13 Cb -0.13 -3.98 0.82 0.00 0.03 0.00 0.00 46.19 42.93 1ulc s LEU 13 CO 0.14 -0.67 1.86 -0.61 0.23 0.00 0.00 176.35 177.31 1ulc h GLN 14 N 2.71 0.00 -3.50 1.70 5.75 -1.95 -3.44 115.11 116.38 1ulc h GLN 14 Ca -0.49 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 57.89 1ulc h GLN 14 Cb 1.23 0.00 -0.19 0.00 1.07 0.00 0.00 27.48 29.60 1ulc h GLN 14 CO 0.63 0.33 -0.43 -0.80 -2.65 0.00 0.00 178.83 175.91 1ulc s ASN 15 N -6.83 0.02 0.36 -0.69 -0.87 -1.26 -5.14 114.94 100.53 1ulc s ASN 15 Ca -0.03 -0.27 -0.28 0.00 -1.57 0.00 0.00 52.86 50.72 1ulc s ASN 15 Cb 0.14 0.25 -0.12 0.00 -0.02 0.00 0.00 41.25 41.51 1ulc s ASN 15 CO 0.71 -0.47 1.30 0.47 -2.57 0.00 0.00 177.10 176.54 1ulc n ASP 16 N 1.05 2.82 -4.51 -1.22 8.00 -1.26 -4.92 116.55 116.51 1ulc n ASP 16 Ca -0.21 1.19 -0.43 0.00 0.71 0.00 0.00 54.79 56.06 1ulc n ASP 16 Cb 0.57 -1.50 -0.04 0.00 -0.02 0.00 0.00 41.12 40.13 1ulc n ASP 16 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1ulc s PHE 17 N -1.12 2.72 0.33 1.24 5.36 -0.36 -4.93 117.98 121.22 1ulc s PHE 17 Ca 0.56 -0.11 0.02 0.00 -0.96 0.00 0.00 56.93 56.44 1ulc s PHE 17 Cb -0.55 -4.19 -0.01 0.00 -0.34 0.00 0.00 43.02 37.94 1ulc s PHE 17 CO 0.62 -1.48 0.08 0.36 -1.46 0.00 0.00 175.22 173.33 1ulc n LYS 18 N 7.71 0.78 -1.59 10.12 2.85 -1.26 -2.34 118.16 134.44 1ulc n LYS 18 Ca 0.01 -2.65 -0.46 0.00 -1.05 0.00 0.00 58.31 54.16 1ulc n LYS 18 Cb 0.47 1.23 -0.03 0.00 -0.65 0.00 0.00 35.03 36.06 1ulc n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1ulc n PRO 19 N -0.76 1.31 0.00 -1.58 -0.02 -1.26 -0.56 135.00 132.13 1ulc n PRO 19 Ca -0.08 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1ulc n PRO 19 Cb 0.47 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1ulc n PRO 19 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ulc n GLU 20 N 1.24 0.00 -2.36 -0.52 -0.58 -0.16 -4.95 120.64 113.31 1ulc n GLU 20 Ca 0.12 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.47 1ulc n GLU 20 Cb 0.29 -0.57 -0.03 0.00 -0.57 0.00 0.00 31.44 30.56 1ulc n GLU 20 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1ulc s SER 21 N -1.72 6.93 -0.07 1.62 0.01 0.28 -3.58 113.70 117.17 1ulc s SER 21 Ca 0.00 2.36 0.03 0.00 1.31 0.00 0.00 55.95 59.64 1ulc s SER 21 Cb 0.00 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.62 1ulc s SER 21 CO 0.00 -0.39 -0.14 -0.69 0.41 0.00 0.00 173.24 172.43 1ulc s VAL 22 N -1.26 1.27 -0.25 3.43 1.01 -0.90 -1.83 120.40 121.86 1ulc s VAL 22 Ca 0.50 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1ulc s VAL 22 Cb -0.32 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 34.93 1ulc s VAL 22 CO 0.42 0.38 -0.04 0.00 0.00 0.00 0.00 175.10 175.86 1ulc s ALA 23 N 0.56 2.75 -0.51 5.51 0.00 0.43 -0.29 121.76 130.21 1ulc s ALA 23 Ca -0.14 -1.43 -0.15 0.00 0.00 0.00 0.00 51.96 50.24 1ulc s ALA 23 Cb -0.16 -1.74 0.11 0.00 0.00 0.00 0.00 23.12 21.34 1ulc s ALA 23 CO 0.04 -0.79 0.45 0.00 0.00 0.00 0.00 175.76 175.46 1ulc s ALA 24 N 1.36 3.58 -0.21 0.00 0.00 0.14 -1.78 121.76 124.86 1ulc s ALA 24 Ca 0.01 -2.41 -0.13 0.00 0.00 0.00 0.00 51.96 49.42 1ulc s ALA 24 Cb -0.16 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1ulc s ALA 24 CO -0.04 -1.92 0.28 0.42 0.00 0.00 0.00 175.76 174.51 1ulc s ILE 25 N 1.58 5.29 -0.01 0.00 1.01 0.21 -1.09 121.20 128.18 1ulc s ILE 25 Ca 0.04 0.47 0.02 0.00 0.00 0.00 0.00 60.65 61.17 1ulc s ILE 25 Cb -0.28 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.58 1ulc s ILE 25 CO 0.03 0.32 -0.05 -0.13 0.00 0.00 0.00 174.94 175.11 1ulc s ARG 26 N 1.00 0.52 -0.01 2.79 0.52 0.67 -1.17 118.95 123.27 1ulc s ARG 26 Ca 0.14 -0.18 0.02 0.00 -0.52 0.00 0.00 55.73 55.20 1ulc s ARG 26 Cb -0.14 -0.52 -0.03 0.00 0.52 0.00 0.00 34.95 34.78 1ulc s ARG 26 CO 0.05 0.08 -0.05 0.45 0.02 0.00 0.00 175.30 175.85 1ulc s SER 27 N 0.10 4.74 0.00 0.23 0.15 -0.69 -0.12 113.70 118.10 1ulc s SER 27 Ca -0.01 -0.09 0.19 0.00 0.70 0.00 0.00 55.95 56.74 1ulc s SER 27 Cb -0.05 -1.15 0.80 0.00 -1.71 0.00 0.00 66.02 63.91 1ulc s SER 27 CO -0.00 0.30 1.56 -1.54 1.20 0.00 0.00 173.24 174.76 1ulc n SER 28 N 1.65 1.17 -3.55 5.45 3.41 -1.26 -3.72 113.62 116.76 1ulc n SER 28 Ca -0.16 -1.65 -0.10 0.00 -0.26 0.00 0.00 58.87 56.70 1ulc n SER 28 Cb 0.53 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.38 1ulc n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ulc s ALA 29 N -1.84 -1.58 -0.15 7.33 0.00 -0.89 -4.74 121.76 119.89 1ulc s ALA 29 Ca 0.30 0.41 -0.02 0.00 0.00 0.00 0.00 51.96 52.65 1ulc s ALA 29 Cb 0.15 0.77 0.05 0.00 0.00 0.00 0.00 23.12 24.09 1ulc s ALA 29 CO 0.24 -0.83 -0.00 0.12 0.00 0.00 0.00 175.76 175.29 1ulc s PHE 30 N -3.62 1.13 -0.66 0.00 5.36 -1.20 -3.78 117.98 115.21 1ulc s PHE 30 Ca 0.05 -0.73 -0.17 0.00 -0.96 0.00 0.00 56.93 55.12 1ulc s PHE 30 Cb -0.02 -1.05 0.15 0.00 -0.34 0.00 0.00 43.02 41.76 1ulc s PHE 30 CO -0.07 -0.53 0.68 -0.80 -1.46 0.00 0.00 175.22 173.04 1ulc s ASN 31 N 1.82 6.38 0.25 6.13 0.01 -0.28 -4.94 114.94 124.31 1ulc s ASN 31 Ca 0.01 -1.95 -0.04 0.00 -0.71 0.00 0.00 52.86 50.17 1ulc s ASN 31 Cb -0.15 -2.25 0.49 0.00 0.41 0.00 0.00 41.25 39.75 1ulc s ASN 31 CO -0.07 -0.87 1.67 0.77 -1.51 0.00 0.00 177.10 177.09 1ulc h SER 32 N 8.67 -0.03 0.00 -1.22 4.64 -1.95 0.25 113.55 123.91 1ulc h SER 32 Ca -0.15 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ulc h SER 32 Cb 1.07 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1ulc h SER 32 CO 0.99 -0.07 0.00 0.29 -0.87 0.00 0.00 176.83 177.17 1ulc n LYS 33 N -5.19 0.79 -1.54 4.77 4.76 -1.26 -4.88 118.16 115.61 1ulc n LYS 33 Ca 0.15 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.26 1ulc n LYS 33 Cb 0.49 -1.19 0.07 0.00 -1.84 0.00 0.00 35.03 32.56 1ulc n LYS 33 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1ulc s GLY 34 N -0.73 2.06 0.00 0.72 0.00 0.88 -5.06 107.32 105.20 1ulc s GLY 34 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.27 1ulc s GLY 34 CO 0.00 0.91 0.00 0.61 0.00 0.00 0.00 173.10 174.62 1ulc n GLY 35 N -0.46 1.75 3.67 0.20 0.00 0.67 -4.78 105.19 106.25 1ulc n GLY 35 Ca 0.11 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 1ulc n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ulc s THR 36 N 3.00 4.50 -0.12 2.61 2.01 -1.26 -4.45 115.64 121.93 1ulc s THR 36 Ca 0.00 1.81 -0.00 0.00 0.31 0.00 0.00 61.69 63.81 1ulc s THR 36 Cb 0.00 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.33 1ulc s THR 36 CO 0.00 -0.10 -0.11 -0.89 -0.69 0.00 0.00 174.62 172.82 1ulc s THR 37 N 2.91 3.24 -0.05 -0.82 2.01 -0.59 -4.17 115.64 118.16 1ulc s THR 37 Ca 0.50 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.95 1ulc s THR 37 Cb -0.19 -2.36 -0.01 0.00 0.01 0.00 0.00 72.50 69.95 1ulc s THR 37 CO 0.13 0.53 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.69 1ulc s VAL 38 N 0.16 1.82 -0.10 3.82 1.01 0.14 -0.88 120.40 126.35 1ulc s VAL 38 Ca -0.06 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.02 1ulc s VAL 38 Cb -0.15 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.70 1ulc s VAL 38 CO 0.04 0.51 -0.19 -0.36 0.00 0.00 0.00 175.10 175.10 1ulc s PHE 39 N -0.08 2.26 -0.01 5.22 0.40 -0.59 0.01 117.98 125.19 1ulc s PHE 39 Ca -0.04 -1.00 0.07 0.00 -0.60 0.00 0.00 56.93 55.36 1ulc s PHE 39 Cb -0.13 -1.56 -0.02 0.00 0.51 0.00 0.00 43.02 41.83 1ulc s PHE 39 CO 0.03 -0.45 -0.21 -0.80 0.70 0.00 0.00 175.22 174.49 1ulc s ASN 40 N 0.65 2.46 -0.39 1.36 0.01 -0.63 -0.78 114.94 117.62 1ulc s ASN 40 Ca -0.13 -0.39 -0.10 0.00 -0.71 0.00 0.00 52.86 51.53 1ulc s ASN 40 Cb -0.16 -0.27 0.05 0.00 0.41 0.00 0.00 41.25 41.28 1ulc s ASN 40 CO 0.03 0.25 0.22 -0.36 -1.51 0.00 0.00 177.10 175.73 1ulc s PHE 41 N -0.52 3.29 0.02 2.20 0.40 -0.52 0.21 117.98 123.05 1ulc s PHE 41 Ca 0.08 -1.28 -0.00 0.00 -0.60 0.00 0.00 56.93 55.13 1ulc s PHE 41 Cb -0.08 -2.65 -0.04 0.00 0.51 0.00 0.00 43.02 40.76 1ulc s PHE 41 CO -0.01 -0.75 0.14 -0.51 0.70 0.00 0.00 175.22 174.79 1ulc s LEU 42 N 1.48 4.12 0.55 -0.37 1.43 0.03 -1.18 118.68 124.73 1ulc s LEU 42 Ca 0.02 0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1ulc s LEU 42 Cb -0.21 -2.55 0.03 0.00 0.03 0.00 0.00 46.19 43.49 1ulc s LEU 42 CO 0.04 0.23 0.78 -0.94 0.23 0.00 0.00 176.35 176.70 1ulc s SER 43 N -2.06 5.37 0.35 2.29 1.04 -0.53 0.65 113.70 120.82 1ulc s SER 43 Ca 0.28 0.15 0.11 0.00 0.48 0.00 0.00 55.95 56.97 1ulc s SER 43 Cb -0.12 -1.10 0.90 0.00 0.10 0.00 0.00 66.02 65.80 1ulc s SER 43 CO 0.20 -1.08 1.80 0.00 0.98 0.00 0.00 173.24 175.13 1ulc h ALA 44 N 0.06 1.93 -0.18 5.32 0.00 -1.91 0.62 119.26 125.09 1ulc h ALA 44 Ca -0.43 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1ulc h ALA 44 Cb 1.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ulc h ALA 44 CO 0.55 -0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.92 1ulc n GLY 45 N -1.41 1.10 2.39 0.00 0.00 -1.26 -4.88 105.19 101.14 1ulc n GLY 45 Ca 0.23 -0.25 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 1ulc n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ulc n GLU 46 N 0.15 -1.18 -2.65 1.61 1.02 0.22 -4.68 120.64 115.13 1ulc n GLU 46 Ca 0.07 0.93 -0.36 0.00 -0.02 0.00 0.00 57.16 57.79 1ulc n GLU 46 Cb 0.37 -5.20 -0.05 0.00 -0.02 0.00 0.00 31.44 26.54 1ulc n GLU 46 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1ulc s ASN 47 N -2.59 6.94 -0.81 1.62 0.01 -1.25 -3.93 114.94 114.93 1ulc s ASN 47 Ca 0.00 1.93 -0.18 0.00 -0.71 0.00 0.00 52.86 53.90 1ulc s ASN 47 Cb 0.00 -2.58 0.13 0.00 0.41 0.00 0.00 41.25 39.22 1ulc s ASN 47 CO 0.00 -0.36 0.96 -0.63 -1.51 0.00 0.00 177.10 175.56 1ulc s ILE 48 N -1.73 4.85 0.09 0.60 1.01 0.23 -1.45 121.20 124.81 1ulc s ILE 48 Ca 0.56 -1.47 -0.20 0.00 0.00 0.00 0.00 60.65 59.55 1ulc s ILE 48 Cb -0.19 -4.66 -0.08 0.00 0.01 0.00 0.00 42.46 37.54 1ulc s ILE 48 CO 0.24 -1.34 1.60 -0.07 0.00 0.00 0.00 174.94 175.37 1ulc h LEU 49 N 9.98 0.32 -7.40 2.97 3.38 -1.39 -1.07 115.31 122.10 1ulc h LEU 49 Ca 0.00 -0.21 -0.42 0.00 0.09 0.00 0.00 57.88 57.34 1ulc h LEU 49 Cb 1.05 -0.08 -0.39 0.00 0.09 0.00 0.00 40.66 41.33 1ulc h LEU 49 CO 1.05 0.45 -0.76 -0.22 0.09 0.00 0.00 178.44 179.05 1ulc s LEU 50 N -9.73 0.47 -0.22 1.67 2.96 -1.17 -4.61 118.68 108.05 1ulc s LEU 50 Ca -0.14 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 53.64 1ulc s LEU 50 Cb 0.07 -0.35 -0.02 0.00 0.50 0.00 0.00 46.19 46.40 1ulc s LEU 50 CO 0.72 -0.22 -0.00 -2.28 -1.32 0.00 0.00 176.35 173.25 1ulc s HIS 51 N 2.03 3.01 -0.34 5.38 5.65 0.55 -1.44 115.29 130.14 1ulc s HIS 51 Ca 0.05 -0.67 -0.01 0.00 0.25 0.00 0.00 55.06 54.67 1ulc s HIS 51 Cb -0.12 -2.14 0.08 0.00 -1.18 0.00 0.00 32.58 29.22 1ulc s HIS 51 CO -0.05 -0.42 0.06 0.42 -0.65 0.00 0.00 174.74 174.10 1ulc s ILE 52 N 1.40 2.90 -0.43 0.89 1.01 0.04 -2.04 121.20 124.97 1ulc s ILE 52 Ca 0.05 -1.77 -0.09 0.00 0.00 0.00 0.00 60.65 58.84 1ulc s ILE 52 Cb -0.15 -2.84 0.09 0.00 0.01 0.00 0.00 42.46 39.57 1ulc s ILE 52 CO 0.00 -0.36 0.28 -0.55 0.00 0.00 0.00 174.94 174.31 1ulc s SER 53 N 1.36 5.67 -0.31 3.58 0.15 0.34 -1.54 113.70 122.94 1ulc s SER 53 Ca 0.01 -1.57 -0.21 0.00 0.70 0.00 0.00 55.95 54.87 1ulc s SER 53 Cb -0.21 -2.00 -0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1ulc s SER 53 CO -0.03 -0.57 0.69 -0.63 1.20 0.00 0.00 173.24 173.89 1ulc s ILE 54 N 1.42 4.87 -0.43 6.45 1.01 -0.06 -0.25 121.20 134.22 1ulc s ILE 54 Ca 0.04 0.93 0.04 0.00 0.00 0.00 0.00 60.65 61.66 1ulc s ILE 54 Cb -0.24 -4.07 0.11 0.00 0.01 0.00 0.00 42.46 38.28 1ulc s ILE 54 CO 0.02 -0.21 0.15 -0.13 0.00 0.00 0.00 174.94 174.77 1ulc s ARG 55 N 2.76 1.73 0.16 2.79 0.52 0.04 -1.54 118.95 125.40 1ulc s ARG 55 Ca 0.28 -2.24 -0.16 0.00 -0.52 0.00 0.00 55.73 53.09 1ulc s ARG 55 Cb -0.14 -3.27 0.02 0.00 0.52 0.00 0.00 34.95 32.08 1ulc s ARG 55 CO 0.13 -1.02 1.81 -1.35 0.02 0.00 0.00 175.30 174.88 1ulc h PRO 56 N 7.08 0.56 0.71 3.54 0.11 -1.81 0.58 132.00 142.77 1ulc h PRO 56 Ca -0.06 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.98 1ulc h PRO 56 Cb 0.96 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.95 1ulc h PRO 56 CO 0.60 0.38 -0.34 0.78 -0.21 0.00 0.00 178.00 179.21 1ulc h GLY 57 N 0.57 -0.99 1.52 -0.55 0.00 -1.91 -2.46 103.07 99.24 1ulc h GLY 57 Ca 0.15 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1ulc h GLY 57 CO -0.03 -0.36 0.00 -2.21 0.00 0.00 0.00 176.54 173.94 1ulc n GLU 58 N -5.46 0.17 -3.84 4.80 2.13 -1.22 -4.89 120.64 112.34 1ulc n GLU 58 Ca -0.13 0.17 -0.26 0.00 0.66 0.00 0.00 57.16 57.60 1ulc n GLU 58 Cb 0.39 -1.50 0.02 0.00 0.27 0.00 0.00 31.44 30.62 1ulc n GLU 58 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1ulc n ASN 59 N -1.26 -2.26 -3.58 4.31 5.15 0.10 -5.00 115.26 112.71 1ulc n ASN 59 Ca 0.05 -0.85 -0.11 0.00 -0.60 0.00 0.00 54.58 53.07 1ulc n ASN 59 Cb 0.08 -3.75 -0.04 0.00 -0.53 0.00 0.00 39.78 35.55 1ulc n ASN 59 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1ulc s VAL 60 N -3.59 0.05 -0.17 3.44 -7.23 -0.61 -2.44 120.40 109.86 1ulc s VAL 60 Ca 0.25 -0.42 -0.01 0.00 -1.81 0.00 0.00 61.98 60.00 1ulc s VAL 60 Cb -0.13 -1.13 -0.00 0.00 0.56 0.00 0.00 36.38 35.67 1ulc s VAL 60 CO 0.84 -0.22 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.66 1ulc s ILE 61 N -3.79 2.89 -0.17 -0.62 1.01 0.14 -0.78 121.20 119.88 1ulc s ILE 61 Ca 0.03 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 1ulc s ILE 61 Cb 0.01 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 1ulc s ILE 61 CO -0.12 0.50 -0.03 -0.69 0.00 0.00 0.00 174.94 174.60 1ulc s VAL 62 N 0.89 3.85 -0.11 2.92 1.01 0.66 -0.82 120.40 128.80 1ulc s VAL 62 Ca -0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1ulc s VAL 62 Cb -0.15 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1ulc s VAL 62 CO -0.01 0.48 -0.08 -0.36 0.00 0.00 0.00 175.10 175.13 1ulc s PHE 63 N 0.56 2.92 0.36 5.22 0.40 0.19 -0.51 117.98 127.12 1ulc s PHE 63 Ca -0.03 -0.23 -0.11 0.00 -0.60 0.00 0.00 56.93 55.96 1ulc s PHE 63 Cb -0.14 -1.81 0.03 0.00 0.51 0.00 0.00 43.02 41.61 1ulc s PHE 63 CO 0.03 0.09 0.65 1.21 0.70 0.00 0.00 175.22 177.90 1ulc s ASN 64 N -0.18 0.33 0.09 1.36 3.84 -0.86 -1.84 114.94 117.67 1ulc s ASN 64 Ca 0.02 -1.23 -0.03 0.00 0.21 0.00 0.00 52.86 51.83 1ulc s ASN 64 Cb -0.13 0.76 -0.03 0.00 -0.55 0.00 0.00 41.25 41.30 1ulc s ASN 64 CO 0.03 -1.50 0.05 -0.44 -2.79 0.00 0.00 177.10 172.45 1ulc s SER 65 N -3.12 0.36 -0.29 -4.21 0.01 -1.26 -0.33 113.70 104.85 1ulc s SER 65 Ca 0.21 -1.00 -0.25 0.00 1.31 0.00 0.00 55.95 56.22 1ulc s SER 65 Cb -0.03 0.26 0.17 0.00 0.21 0.00 0.00 66.02 66.63 1ulc s SER 65 CO 0.14 -0.68 1.31 -0.60 0.41 0.00 0.00 173.24 173.83 1ulc s ARG 66 N -3.95 0.20 0.61 12.44 3.52 -0.41 -3.46 118.95 127.89 1ulc s ARG 66 Ca 0.12 0.21 -0.14 0.00 -0.13 0.00 0.00 55.73 55.80 1ulc s ARG 66 Cb 0.07 0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 33.52 1ulc s ARG 66 CO -0.06 -0.03 1.04 -0.51 -0.81 0.00 0.00 175.30 174.93 1ulc s LEU 67 N -0.01 3.40 0.20 -0.88 1.43 -1.26 0.76 118.68 122.33 1ulc s LEU 67 Ca 0.06 1.68 -0.22 0.00 -1.03 0.00 0.00 54.13 54.63 1ulc s LEU 67 Cb -0.05 -4.51 0.14 0.00 0.03 0.00 0.00 46.19 41.80 1ulc s LEU 67 CO -0.12 -1.10 1.56 0.50 0.23 0.00 0.00 176.35 177.42 1ulc h LYS 68 N 0.16 -0.07 -0.51 1.70 3.64 -1.84 -1.54 116.57 118.12 1ulc h LYS 68 Ca -0.46 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 58.66 1ulc h LYS 68 Cb 1.21 0.02 -0.16 0.00 -0.41 0.00 0.00 32.23 32.88 1ulc h LYS 68 CO 0.58 -0.05 0.07 0.09 -2.27 0.00 0.00 179.45 177.88 1ulc n ASN 69 N -5.42 2.82 -3.07 4.20 5.03 -1.26 -5.01 115.26 112.55 1ulc n ASN 69 Ca 0.06 -3.76 -0.10 0.00 0.87 0.00 0.00 54.58 51.65 1ulc n ASN 69 Cb 0.36 -0.68 -0.00 0.00 -1.02 0.00 0.00 39.78 38.44 1ulc n ASN 69 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ulc n GLY 70 N -1.13 3.03 3.75 7.41 0.00 -0.58 -5.14 105.19 112.52 1ulc n GLY 70 Ca 0.40 -2.22 -0.29 0.00 0.00 0.00 0.00 46.02 43.90 1ulc n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulc s ALA 71 N -2.30 3.47 0.59 4.61 0.00 -1.26 -4.69 121.76 122.18 1ulc s ALA 71 Ca 0.11 -1.11 -0.20 0.00 0.00 0.00 0.00 51.96 50.76 1ulc s ALA 71 Cb -0.01 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 1ulc s ALA 71 CO 0.07 0.67 1.31 -1.58 0.00 0.00 0.00 175.76 176.22 1ulc s TRP 72 N -1.47 2.23 0.00 0.00 0.52 -1.26 -4.68 118.94 114.28 1ulc s TRP 72 Ca 0.29 1.44 0.00 0.00 0.02 0.00 0.00 56.10 57.85 1ulc s TRP 72 Cb -0.11 -3.71 0.00 0.00 -1.15 0.00 0.00 33.47 28.50 1ulc s TRP 72 CO 0.21 -2.78 0.00 0.41 0.02 0.00 0.00 176.95 174.81 1ulc n GLY 73 N 0.76 1.70 3.72 0.98 0.00 -1.22 -5.05 105.19 106.07 1ulc n GLY 73 Ca 0.13 -2.04 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 1ulc n GLY 73 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ulc n PRO 74 N -0.32 1.18 -3.67 1.61 -0.04 -1.26 -4.90 135.00 127.59 1ulc n PRO 74 Ca 0.00 0.46 -0.37 0.00 -0.04 0.00 0.00 63.50 63.54 1ulc n PRO 74 Cb 0.00 -2.49 -0.06 0.00 -0.04 0.00 0.00 33.50 30.91 1ulc n PRO 74 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ulc s GLU 75 N -3.22 3.72 -0.33 0.54 2.02 -1.26 -4.78 118.70 115.39 1ulc s GLU 75 Ca 0.80 0.15 -0.00 0.00 0.02 0.00 0.00 54.97 55.94 1ulc s GLU 75 Cb -0.39 -3.22 0.07 0.00 0.10 0.00 0.00 34.13 30.70 1ulc s GLU 75 CO 0.42 0.71 0.04 -1.21 0.02 0.00 0.00 175.26 175.24 1ulc s GLU 76 N -0.98 2.14 0.23 1.61 2.02 -0.77 -4.97 118.70 117.98 1ulc s GLU 76 Ca 0.19 -1.52 0.11 0.00 0.02 0.00 0.00 54.97 53.78 1ulc s GLU 76 Cb -0.14 -3.24 -0.05 0.00 0.10 0.00 0.00 34.13 30.80 1ulc s GLU 76 CO 0.09 -0.78 -0.17 -0.98 0.02 0.00 0.00 175.26 173.44 1ulc s ARG 77 N 1.14 1.78 0.04 1.61 1.70 -1.26 -0.64 118.95 123.32 1ulc s ARG 77 Ca 0.00 -1.54 -0.01 0.00 -0.47 0.00 0.00 55.73 53.71 1ulc s ARG 77 Cb -0.20 -1.92 -0.03 0.00 -0.57 0.00 0.00 34.95 32.22 1ulc s ARG 77 CO -0.04 0.38 -0.03 0.96 -1.08 0.00 0.00 175.30 175.49 1ulc s ILE 78 N -2.05 0.19 0.26 4.99 -4.36 -0.00 -4.96 121.20 115.27 1ulc s ILE 78 Ca 0.26 -1.53 -0.30 0.00 -0.26 0.00 0.00 60.65 58.82 1ulc s ILE 78 Cb -0.07 -1.12 -0.11 0.00 1.25 0.00 0.00 42.46 42.41 1ulc s ILE 78 CO 0.14 -0.84 1.58 -2.16 0.24 0.00 0.00 174.94 173.90 1ulc s PRO 79 N -3.14 4.16 0.11 0.37 0.04 -1.26 0.29 135.00 135.56 1ulc s PRO 79 Ca -0.00 2.51 -0.04 0.00 0.04 0.00 0.00 61.00 63.50 1ulc s PRO 79 Cb 0.02 -3.06 -0.16 0.00 0.04 0.00 0.00 34.50 31.35 1ulc s PRO 79 CO -0.07 -0.61 1.25 -0.92 0.04 0.00 0.00 177.00 176.69 1ulc h TYR 80 N 5.34 0.57 -2.29 0.56 3.20 -1.75 -3.43 116.97 119.17 1ulc h TYR 80 Ca -0.46 -0.34 -0.61 0.00 3.14 0.00 0.00 58.73 60.46 1ulc h TYR 80 Cb 1.22 -0.05 0.07 0.00 1.54 0.00 0.00 36.73 39.51 1ulc h TYR 80 CO 0.60 1.20 0.57 0.00 -1.64 0.00 0.00 178.16 178.89 1ulc n ALA 81 N -2.54 0.51 -3.49 1.82 0.00 -1.26 -3.07 120.51 112.47 1ulc n ALA 81 Ca -0.07 0.45 -0.19 0.00 0.00 0.00 0.00 53.44 53.62 1ulc n ALA 81 Cb 0.90 -2.22 0.08 0.00 0.00 0.00 0.00 19.45 18.22 1ulc n ALA 81 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ulc n GLU 82 N 2.39 -6.70 -0.05 0.00 1.02 -1.26 -4.92 120.64 111.11 1ulc n GLU 82 Ca 0.15 0.82 -0.07 0.00 -0.02 0.00 0.00 57.16 58.04 1ulc n GLU 82 Cb 0.28 -5.80 -0.05 0.00 -0.02 0.00 0.00 31.44 25.85 1ulc n GLU 82 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ulc n LYS 83 N -4.31 0.24 -3.92 3.49 4.76 -1.17 -4.52 118.16 112.73 1ulc n LYS 83 Ca -0.23 0.06 -0.27 0.00 -2.87 0.00 0.00 58.31 55.00 1ulc n LYS 83 Cb 0.65 -1.18 -0.03 0.00 -1.84 0.00 0.00 35.03 32.62 1ulc n LYS 83 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ulc s PHE 84 N -2.20 3.49 -0.25 2.13 0.40 -1.26 -1.15 117.98 119.15 1ulc s PHE 84 Ca -0.13 0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.37 1ulc s PHE 84 Cb 0.04 -1.70 0.06 0.00 0.51 0.00 0.00 43.02 41.93 1ulc s PHE 84 CO 0.22 0.52 -0.04 0.50 0.70 0.00 0.00 175.22 177.13 1ulc s ARG 85 N -3.08 1.59 0.72 0.44 3.52 -1.26 -4.88 118.95 116.00 1ulc s ARG 85 Ca 0.35 -1.06 -0.11 0.00 -0.13 0.00 0.00 55.73 54.79 1ulc s ARG 85 Cb -0.11 -2.60 0.02 0.00 -1.56 0.00 0.00 34.95 30.69 1ulc s ARG 85 CO 0.28 -0.64 1.07 -1.25 -0.81 0.00 0.00 175.30 173.96 1ulc s PRO 86 N 1.37 2.72 0.13 5.12 0.04 -1.26 -2.71 135.00 140.41 1ulc s PRO 86 Ca -0.04 1.03 0.26 0.00 0.04 0.00 0.00 61.00 62.28 1ulc s PRO 86 Cb -0.19 -1.96 0.64 0.00 0.04 0.00 0.00 34.50 33.03 1ulc s PRO 86 CO -0.07 -1.27 1.57 -0.35 0.04 0.00 0.00 177.00 176.92 1ulc n PRO 87 N -3.24 0.22 -3.42 0.56 -0.04 -1.26 -4.89 135.00 122.92 1ulc n PRO 87 Ca 0.08 0.12 -0.34 0.00 -0.04 0.00 0.00 63.50 63.32 1ulc n PRO 87 Cb 0.53 -1.69 -0.06 0.00 -0.04 0.00 0.00 33.50 32.25 1ulc n PRO 87 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ulc n ASN 88 N -2.04 4.50 -4.75 3.54 5.03 -1.23 -2.10 115.26 118.21 1ulc n ASN 88 Ca 0.05 -3.33 -0.34 0.00 0.87 0.00 0.00 54.58 51.83 1ulc n ASN 88 Cb 0.41 -0.94 0.05 0.00 -1.02 0.00 0.00 39.78 38.28 1ulc n ASN 88 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1ulc s PRO 89 N -2.15 2.74 0.13 3.52 0.04 -1.10 -4.72 135.00 133.47 1ulc s PRO 89 Ca 0.33 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1ulc s PRO 89 Cb 0.04 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1ulc s PRO 89 CO -0.03 -1.34 0.02 -1.54 0.04 0.00 0.00 177.00 174.16 1ulc s SER 90 N -2.10 0.66 -0.08 6.66 1.04 -1.26 -1.70 113.70 116.91 1ulc s SER 90 Ca 0.72 -1.17 -0.04 0.00 0.48 0.00 0.00 55.95 55.95 1ulc s SER 90 Cb -0.25 0.22 0.04 0.00 0.10 0.00 0.00 66.02 66.13 1ulc s SER 90 CO 0.38 -0.65 0.19 -0.63 0.98 0.00 0.00 173.24 173.51 1ulc s ILE 91 N -3.89 -0.08 -0.08 -1.02 1.01 -0.32 -4.02 121.20 112.81 1ulc s ILE 91 Ca 0.22 0.19 0.03 0.00 0.00 0.00 0.00 60.65 61.08 1ulc s ILE 91 Cb 0.07 -0.30 0.01 0.00 0.01 0.00 0.00 42.46 42.25 1ulc s ILE 91 CO 0.01 0.08 -0.16 -0.89 0.00 0.00 0.00 174.94 173.98 1ulc s THR 92 N 1.34 1.43 -0.11 2.92 2.01 0.00 -0.62 115.64 122.61 1ulc s THR 92 Ca -0.08 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.31 1ulc s THR 92 Cb -0.11 -1.28 0.00 0.00 0.01 0.00 0.00 72.50 71.12 1ulc s THR 92 CO -0.07 0.42 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.37 1ulc s VAL 93 N 0.63 1.98 -0.06 3.82 1.01 -0.73 -0.81 120.40 126.23 1ulc s VAL 93 Ca -0.14 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 60.91 1ulc s VAL 93 Cb -0.16 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.50 1ulc s VAL 93 CO 0.04 0.54 -0.14 -0.63 0.00 0.00 0.00 175.10 174.91 1ulc s ILE 94 N 0.54 1.29 -0.20 2.22 1.01 -0.22 -0.43 121.20 125.41 1ulc s ILE 94 Ca -0.14 -0.58 -0.23 0.00 0.00 0.00 0.00 60.65 59.69 1ulc s ILE 94 Cb -0.17 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 1ulc s ILE 94 CO 0.05 0.39 0.74 -0.62 0.00 0.00 0.00 174.94 175.50 1ulc s ASP 95 N 0.51 6.80 -0.30 3.58 -1.08 -0.76 -0.39 116.67 125.03 1ulc s ASP 95 Ca -0.13 0.98 0.08 0.00 -0.52 0.00 0.00 52.55 52.96 1ulc s ASP 95 Cb -0.15 -2.40 0.51 0.00 -1.46 0.00 0.00 42.92 39.42 1ulc s ASP 95 CO 0.04 -0.38 1.47 1.41 0.52 0.00 0.00 175.17 178.23 1ulc n HIS 96 N 5.40 1.12 0.00 -5.34 8.25 0.17 -0.99 115.22 123.83 1ulc n HIS 96 Ca 0.02 -1.63 0.00 0.00 -0.26 0.00 0.00 57.72 55.85 1ulc n HIS 96 Cb 0.49 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 31.09 1ulc n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ulc n GLY 97 N -1.13 1.96 0.00 -1.41 0.00 -1.26 -4.19 105.19 99.16 1ulc n GLY 97 Ca 0.34 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.32 1ulc n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ulc n ASP 98 N 3.91 0.90 -3.59 1.61 5.75 -1.26 -4.95 116.55 118.92 1ulc n ASP 98 Ca 0.00 -0.89 -0.10 0.00 -0.01 0.00 0.00 54.79 53.78 1ulc n ASP 98 Cb 0.00 1.09 -0.02 0.00 -1.03 0.00 0.00 41.12 41.15 1ulc n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ulc s ARG 99 N -3.05 1.44 0.06 0.11 1.70 -1.26 -1.67 118.95 116.28 1ulc s ARG 99 Ca 0.07 -0.67 0.01 0.00 -0.47 0.00 0.00 55.73 54.66 1ulc s ARG 99 Cb 0.16 0.59 -0.04 0.00 -0.57 0.00 0.00 34.95 35.08 1ulc s ARG 99 CO 0.87 -0.64 0.16 -0.06 -1.08 0.00 0.00 175.30 174.55 1ulc s PHE 100 N -3.82 3.40 -0.15 5.89 0.40 0.86 -0.66 117.98 123.91 1ulc s PHE 100 Ca 0.05 0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.58 1ulc s PHE 100 Cb -0.02 -1.71 0.01 0.00 0.51 0.00 0.00 43.02 41.80 1ulc s PHE 100 CO -0.06 0.57 -0.18 -1.14 0.70 0.00 0.00 175.22 175.10 1ulc s GLN 101 N -2.43 3.10 -0.07 0.44 0.74 0.48 -0.93 119.66 120.99 1ulc s GLN 101 Ca 0.32 -0.80 0.03 0.00 0.05 0.00 0.00 55.36 54.96 1ulc s GLN 101 Cb -0.13 -2.55 -0.02 0.00 1.10 0.00 0.00 33.01 31.41 1ulc s GLN 101 CO 0.25 -0.04 -0.14 0.42 -0.55 0.00 0.00 175.29 175.23 1ulc s ILE 102 N 0.91 3.03 -0.02 -2.34 1.09 0.13 -1.05 121.20 122.94 1ulc s ILE 102 Ca -0.04 -0.72 0.02 0.00 -1.10 0.00 0.00 60.65 58.81 1ulc s ILE 102 Cb -0.15 -2.21 0.00 0.00 -1.06 0.00 0.00 42.46 39.05 1ulc s ILE 102 CO -0.03 0.57 -0.08 -0.13 -0.10 0.00 0.00 174.94 175.17 1ulc s ARG 103 N -0.41 0.87 0.00 2.79 1.81 0.00 0.18 118.95 124.20 1ulc s ARG 103 Ca 0.05 -0.28 0.00 0.00 -1.72 0.00 0.00 55.73 53.78 1ulc s ARG 103 Cb -0.12 -0.83 0.00 0.00 -0.45 0.00 0.00 34.95 33.55 1ulc s ARG 103 CO 0.02 0.10 0.00 1.19 -0.68 0.00 0.00 175.30 175.93 1ulc n PHE 104 N 3.28 -0.06 0.08 -0.53 3.01 -1.26 -0.82 117.46 121.16 1ulc n PHE 104 Ca -0.18 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.18 1ulc n PHE 104 Cb 0.55 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.92 1ulc n PHE 104 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1ulc h ASP 105 N 0.00 0.17 -3.29 4.37 3.32 -1.44 -3.47 116.42 116.08 1ulc h ASP 105 Ca 0.00 -0.17 -0.44 0.00 0.02 0.00 0.00 57.03 56.44 1ulc h ASP 105 Cb 0.00 -0.05 -0.14 0.00 0.22 0.00 0.00 39.33 39.35 1ulc h ASP 105 CO 0.00 1.09 -0.73 -0.31 -1.72 0.00 0.00 179.24 177.57 1ulc s TYR 106 N -2.82 1.67 0.00 4.55 4.12 -0.30 -4.94 117.35 119.63 1ulc s TYR 106 Ca -0.01 -0.59 0.00 0.00 0.02 0.00 0.00 57.07 56.49 1ulc s TYR 106 Cb 0.09 -0.78 0.00 0.00 -1.52 0.00 0.00 41.96 39.75 1ulc s TYR 106 CO 0.84 0.33 0.00 0.41 0.02 0.00 0.00 175.55 177.15 1ulc n GLY 107 N -0.34 -1.28 3.94 0.71 0.00 -1.26 -4.73 105.19 102.23 1ulc n GLY 107 Ca -0.08 -1.55 -0.27 0.00 0.00 0.00 0.00 46.02 44.11 1ulc n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ulc s THR 108 N -1.10 2.11 0.56 2.61 -4.23 -1.26 -4.83 115.64 109.50 1ulc s THR 108 Ca 0.00 -0.20 -0.17 0.00 -1.18 0.00 0.00 61.69 60.14 1ulc s THR 108 Cb 0.00 -2.92 -0.05 0.00 1.34 0.00 0.00 72.50 70.87 1ulc s THR 108 CO 0.00 0.00 1.05 -0.44 -0.54 0.00 0.00 174.62 174.69 1ulc s SER 109 N -4.70 5.96 -0.09 3.99 0.01 -1.26 -4.72 113.70 112.88 1ulc s SER 109 Ca 0.67 1.85 0.01 0.00 1.31 0.00 0.00 55.95 59.79 1ulc s SER 109 Cb -0.07 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 1ulc s SER 109 CO 0.48 -1.05 -0.12 -0.63 0.41 0.00 0.00 173.24 172.34 1ulc s ILE 110 N -2.30 3.23 -0.11 1.44 1.09 0.13 -4.93 121.20 119.74 1ulc s ILE 110 Ca 0.65 -0.63 -0.00 0.00 -1.10 0.00 0.00 60.65 59.57 1ulc s ILE 110 Cb -0.16 -2.33 -0.02 0.00 -1.06 0.00 0.00 42.46 38.89 1ulc s ILE 110 CO 0.32 0.56 -0.10 -0.31 -0.10 0.00 0.00 174.94 175.30 1ulc s TYR 111 N -0.20 2.85 -0.21 3.97 1.51 -1.26 0.19 117.35 124.19 1ulc s TYR 111 Ca 0.01 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 1ulc s TYR 111 Cb -0.13 -1.82 0.05 0.00 -0.11 0.00 0.00 41.96 39.96 1ulc s TYR 111 CO 0.03 -0.04 -0.05 -0.47 -1.11 0.00 0.00 175.55 173.91 1ulc s TYR 112 N 0.03 2.10 0.36 2.71 5.04 -0.11 -4.96 117.35 122.51 1ulc s TYR 112 Ca -0.03 -1.50 -0.28 0.00 -2.44 0.00 0.00 57.07 52.82 1ulc s TYR 112 Cb -0.14 -1.47 -0.10 0.00 0.35 0.00 0.00 41.96 40.60 1ulc s TYR 112 CO 0.04 -0.72 1.35 -0.80 -1.34 0.00 0.00 175.55 174.07 1ulc s ASN 113 N 1.50 6.58 0.40 4.32 0.01 -1.26 -0.10 114.94 126.39 1ulc s ASN 113 Ca -0.04 2.76 -0.26 0.00 -0.71 0.00 0.00 52.86 54.61 1ulc s ASN 113 Cb -0.18 -2.65 -0.09 0.00 0.41 0.00 0.00 41.25 38.74 1ulc s ASN 113 CO -0.07 -0.68 1.35 -0.54 -1.51 0.00 0.00 177.10 175.66 1ulc s LYS 114 N -1.95 3.98 -0.08 -0.60 1.02 -0.67 -4.86 119.74 116.58 1ulc s LYS 114 Ca 0.51 2.28 0.01 0.00 0.02 0.00 0.00 55.97 58.79 1ulc s LYS 114 Cb -0.41 -2.80 -0.05 0.00 -0.52 0.00 0.00 37.83 34.04 1ulc s LYS 114 CO 0.54 -0.53 -0.06 0.54 -0.92 0.00 0.00 175.35 174.92 1ulc n ARG 115 N 0.19 0.44 -3.73 1.68 1.74 -1.26 -4.91 116.66 110.81 1ulc n ARG 115 Ca 0.03 0.04 -0.38 0.00 -0.77 0.00 0.00 57.85 56.77 1ulc n ARG 115 Cb 0.42 -1.16 -0.12 0.00 -1.02 0.00 0.00 32.46 30.59 1ulc n ARG 115 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ulc s ILE 116 N -2.16 3.76 -0.72 0.55 1.01 -1.26 -5.01 121.20 117.37 1ulc s ILE 116 Ca -0.10 -1.37 -0.17 0.00 0.00 0.00 0.00 60.65 59.01 1ulc s ILE 116 Cb 0.03 -3.24 -0.13 0.00 0.01 0.00 0.00 42.46 39.12 1ulc s ILE 116 CO 0.19 -0.34 1.90 0.29 0.00 0.00 0.00 174.94 176.99 1ulc n LYS 117 N 4.79 1.48 -4.06 2.79 4.76 -1.26 -4.82 118.16 121.84 1ulc n LYS 117 Ca -0.10 -1.60 -0.08 0.00 -2.87 0.00 0.00 58.31 53.66 1ulc n LYS 117 Cb 0.44 -2.70 -0.10 0.00 -1.84 0.00 0.00 35.03 30.82 1ulc n LYS 117 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1ulc s GLU 118 N 4.68 0.54 0.51 1.97 2.02 -1.26 -5.16 118.70 121.99 1ulc s GLU 118 Ca 0.50 -1.07 -0.04 0.00 0.02 0.00 0.00 54.97 54.37 1ulc s GLU 118 Cb 0.12 0.18 -0.02 0.00 0.10 0.00 0.00 34.13 34.52 1ulc s GLU 118 CO 0.08 -0.09 0.80 -0.80 0.02 0.00 0.00 175.26 175.27 1ulc s ASN 119 N -2.56 5.96 -0.04 -0.19 0.01 -1.26 -5.01 114.94 111.84 1ulc s ASN 119 Ca 0.01 0.74 -0.19 0.00 -0.71 0.00 0.00 52.86 52.72 1ulc s ASN 119 Cb 0.04 -1.94 -0.05 0.00 0.41 0.00 0.00 41.25 39.70 1ulc s ASN 119 CO -0.08 -0.76 0.52 0.00 -1.51 0.00 0.00 177.10 175.27 1ulc s ALA 120 N -2.79 3.52 -0.21 0.60 0.00 -0.99 -4.30 121.76 117.59 1ulc s ALA 120 Ca 0.50 -0.08 0.14 0.00 0.00 0.00 0.00 51.96 52.51 1ulc s ALA 120 Cb -0.10 -2.65 -0.20 0.00 0.00 0.00 0.00 23.12 20.17 1ulc s ALA 120 CO 0.44 0.17 0.40 0.00 0.00 0.00 0.00 175.76 176.76 1ulc n ALA 121 N 2.87 2.91 -3.03 0.00 0.00 0.21 -1.23 120.51 122.24 1ulc n ALA 121 Ca -0.08 -0.35 -0.11 0.00 0.00 0.00 0.00 53.44 52.89 1ulc n ALA 121 Cb 0.51 -0.49 -0.05 0.00 0.00 0.00 0.00 19.45 19.42 1ulc n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ulc s ALA 122 N -2.78 -0.92 -0.15 0.00 0.00 -0.88 -1.40 121.76 115.63 1ulc s ALA 122 Ca -0.02 0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.99 1ulc s ALA 122 Cb 0.09 0.57 0.02 0.00 0.00 0.00 0.00 23.12 23.80 1ulc s ALA 122 CO 0.58 -0.57 -0.17 0.42 0.00 0.00 0.00 175.76 176.02 1ulc s ILE 123 N -3.36 1.76 0.23 0.00 1.01 -0.92 -0.79 121.20 119.13 1ulc s ILE 123 Ca 0.00 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 59.94 1ulc s ILE 123 Cb 0.01 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 1ulc s ILE 123 CO -0.09 0.49 0.34 0.00 0.00 0.00 0.00 174.94 175.68 1ulc s ALA 124 N 1.33 3.91 -0.16 9.38 0.00 0.13 -1.84 121.76 134.52 1ulc s ALA 124 Ca 0.03 -1.22 -0.04 0.00 0.00 0.00 0.00 51.96 50.74 1ulc s ALA 124 Cb -0.13 -1.71 0.07 0.00 0.00 0.00 0.00 23.12 21.35 1ulc s ALA 124 CO -0.10 0.28 0.20 -0.47 0.00 0.00 0.00 175.76 175.67 1ulc s TYR 125 N -1.96 -0.22 0.06 0.00 5.04 -0.61 -1.61 117.35 118.06 1ulc s TYR 125 Ca 0.34 0.36 0.07 0.00 -2.44 0.00 0.00 57.07 55.40 1ulc s TYR 125 Cb -0.09 -0.33 -0.03 0.00 0.35 0.00 0.00 41.96 41.86 1ulc s TYR 125 CO 0.29 -0.47 -0.19 -0.80 -1.34 0.00 0.00 175.55 173.04 1ulc s ASN 126 N 2.31 2.22 0.00 4.32 0.01 0.10 0.22 114.94 124.12 1ulc s ASN 126 Ca 0.05 -0.57 0.00 0.00 -0.71 0.00 0.00 52.86 51.63 1ulc s ASN 126 Cb -0.14 -0.14 0.00 0.00 0.41 0.00 0.00 41.25 41.37 1ulc s ASN 126 CO -0.10 0.07 0.00 0.00 -1.51 0.00 0.00 177.10 175.57 1ulc n ALA 127 N 1.56 0.00 -0.08 0.60 0.00 -1.26 0.24 120.51 121.57 1ulc n ALA 127 Ca -0.19 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.04 1ulc n ALA 127 Cb 0.54 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.87 1ulc n ALA 127 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ulc h GLU 128 N 0.00 0.06 -2.10 0.00 4.57 -1.97 -3.41 114.58 111.72 1ulc h GLU 128 Ca 0.00 -0.10 -0.57 0.00 -1.18 0.00 0.00 59.36 57.51 1ulc h GLU 128 Cb 0.00 0.04 -0.40 0.00 -0.16 0.00 0.00 28.75 28.23 1ulc h GLU 128 CO 0.00 1.05 -0.94 -1.71 -1.18 0.00 0.00 179.01 176.22 1ulc n ASN 129 N -4.29 1.21 -4.14 1.04 5.15 -1.26 -5.06 115.26 107.91 1ulc n ASN 129 Ca -0.29 -2.90 -0.39 0.00 -0.60 0.00 0.00 54.58 50.40 1ulc n ASN 129 Cb 0.73 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 39.33 1ulc n ASN 129 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1ulc n SER 130 N 1.35 -3.13 0.11 1.20 2.88 -1.26 -0.23 113.62 114.54 1ulc n SER 130 Ca 0.24 0.72 0.12 0.00 -1.33 0.00 0.00 58.87 58.62 1ulc n SER 130 Cb 0.49 -0.84 0.11 0.00 -0.75 0.00 0.00 64.21 63.22 1ulc n SER 130 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1ulc h LEU 131 N 0.17 0.00 0.00 2.46 5.85 -1.83 -3.41 115.31 118.54 1ulc h LEU 131 Ca -0.38 -0.07 -0.31 0.00 0.84 0.00 0.00 57.88 57.97 1ulc h LEU 131 Cb 1.40 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.38 1ulc h LEU 131 CO 0.43 0.03 -0.22 0.49 -0.34 0.00 0.00 178.44 178.83 1ulc n PHE 132 N -2.56 0.47 -1.53 1.25 0.99 -1.26 -1.13 117.46 113.69 1ulc n PHE 132 Ca 0.02 -1.18 -0.29 0.00 -0.00 0.00 0.00 57.45 56.00 1ulc n PHE 132 Cb 0.51 -0.16 0.18 0.00 -1.00 0.00 0.00 39.48 39.00 1ulc n PHE 132 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1ulc s SER 133 N -2.33 2.73 -0.16 4.37 1.04 -1.25 -4.85 113.70 113.25 1ulc s SER 133 Ca 0.01 0.68 -0.04 0.00 0.48 0.00 0.00 55.95 57.08 1ulc s SER 133 Cb -0.00 -1.03 0.08 0.00 0.10 0.00 0.00 66.02 65.17 1ulc s SER 133 CO 0.01 -3.01 0.21 -0.55 0.98 0.00 0.00 173.24 170.87 1ulc s SER 134 N -4.23 1.13 1.00 7.02 0.15 -1.26 -4.21 113.70 113.30 1ulc s SER 134 Ca 0.68 0.00 -0.06 0.00 0.70 0.00 0.00 55.95 57.27 1ulc s SER 134 Cb -0.10 0.37 0.08 0.00 -1.71 0.00 0.00 66.02 64.66 1ulc s SER 134 CO 0.54 -0.30 0.50 -0.81 1.20 0.00 0.00 173.24 174.37 1ulc n PRO 135 N 5.32 -0.50 -4.61 5.44 -0.04 -1.26 -4.93 135.00 134.42 1ulc n PRO 135 Ca -0.05 -0.77 -0.32 0.00 -0.04 0.00 0.00 63.50 62.32 1ulc n PRO 135 Cb 0.50 -0.51 -0.12 0.00 -0.04 0.00 0.00 33.50 33.33 1ulc n PRO 135 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ulc s VAL 136 N -2.08 3.29 0.01 0.52 -7.23 -0.77 -4.76 120.40 109.38 1ulc s VAL 136 Ca 0.28 -0.86 -0.30 0.00 -1.81 0.00 0.00 61.98 59.29 1ulc s VAL 136 Cb -0.01 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1ulc s VAL 136 CO 0.20 0.43 1.08 -0.89 -0.31 0.00 0.00 175.10 175.60 1ulc s THR 137 N -0.91 4.51 -0.11 5.32 2.01 0.83 -2.18 115.64 125.11 1ulc s THR 137 Ca 0.15 1.81 -0.00 0.00 0.31 0.00 0.00 61.69 63.95 1ulc s THR 137 Cb -0.11 -4.16 0.02 0.00 0.01 0.00 0.00 72.50 68.27 1ulc s THR 137 CO 0.05 0.13 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.34 1ulc s VAL 138 N 1.15 1.06 -0.24 3.82 1.01 -0.20 -0.24 120.40 126.76 1ulc s VAL 138 Ca 0.55 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 62.16 1ulc s VAL 138 Cb -0.24 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 1ulc s VAL 138 CO 0.28 0.37 0.01 -1.81 0.00 0.00 0.00 175.10 173.94 1ulc s ASP 139 N 1.67 4.65 -0.14 3.32 1.01 -0.25 -0.44 116.67 126.49 1ulc s ASP 139 Ca 0.04 -0.39 -0.03 0.00 0.71 0.00 0.00 52.55 52.88 1ulc s ASP 139 Cb -0.13 -1.81 -0.03 0.00 1.01 0.00 0.00 42.92 41.96 1ulc s ASP 139 CO -0.08 -0.05 -0.02 -0.69 0.21 0.00 0.00 175.17 174.54 1ulc s VAL 140 N 1.52 4.05 0.17 -1.27 1.01 -0.14 0.27 120.40 126.01 1ulc s VAL 140 Ca 0.05 -0.32 0.10 0.00 0.00 0.00 0.00 61.98 61.82 1ulc s VAL 140 Cb -0.15 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1ulc s VAL 140 CO -0.01 0.52 -0.16 -1.00 0.00 0.00 0.00 175.10 174.46 1ulc s HIS 141 N -0.00 2.51 0.05 5.22 3.76 0.60 -0.89 115.29 126.54 1ulc s HIS 141 Ca 0.02 -0.27 0.06 0.00 -0.15 0.00 0.00 55.06 54.72 1ulc s HIS 141 Cb -0.13 -1.26 -0.23 0.00 1.11 0.00 0.00 32.58 32.07 1ulc s HIS 141 CO 0.02 0.48 1.02 0.78 -0.85 0.00 0.00 174.74 176.20 1ulc h GLY 142 N 3.18 0.07 -2.50 -2.22 0.00 -1.87 -2.40 103.07 97.32 1ulc h GLY 142 Ca -0.47 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 46.58 1ulc h GLY 142 CO 0.50 0.15 -0.29 0.48 0.00 0.00 0.00 176.54 177.38 1ulc s LEU 143 N -6.61 0.72 0.03 3.11 2.34 -1.23 -3.35 118.68 113.69 1ulc s LEU 143 Ca -0.03 -1.00 -0.30 0.00 0.06 0.00 0.00 54.13 52.86 1ulc s LEU 143 Cb 0.09 1.27 -0.07 0.00 -0.56 0.00 0.00 46.19 46.92 1ulc s LEU 143 CO 0.83 -0.99 1.58 -0.22 -1.06 0.00 0.00 176.35 176.49 1ulc s LEU 144 N -3.03 4.34 1.23 1.48 2.96 -1.25 -4.77 118.68 119.64 1ulc s LEU 144 Ca 0.24 2.33 -0.20 0.00 -0.22 0.00 0.00 54.13 56.28 1ulc s LEU 144 Cb 0.02 -3.56 0.30 0.00 0.50 0.00 0.00 46.19 43.46 1ulc s LEU 144 CO 0.06 -0.84 1.11 -2.16 -1.32 0.00 0.00 176.35 173.20 1ulc s PRO 145 N 2.78 -1.45 0.16 0.98 0.04 -1.26 -4.98 135.00 131.27 1ulc s PRO 145 Ca 0.71 -0.13 -0.30 0.00 0.04 0.00 0.00 61.00 61.32 1ulc s PRO 145 Cb -0.36 -1.57 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 1ulc s PRO 145 CO 0.30 -3.85 1.22 -2.14 0.04 0.00 0.00 177.00 172.57 1ulc s PRO 146 N -5.45 4.46 -0.02 0.56 0.02 -1.26 -5.02 135.00 128.30 1ulc s PRO 146 Ca 0.71 1.89 -0.10 0.00 0.02 0.00 0.00 61.00 63.53 1ulc s PRO 146 Cb -0.09 -3.25 -0.05 0.00 0.02 0.00 0.00 34.50 31.13 1ulc s PRO 146 CO 0.56 -0.15 0.30 -0.51 -0.33 0.00 0.00 177.00 176.87 1ulc s LEU 147 N 0.05 4.41 0.63 -5.54 1.43 -1.26 -5.09 118.68 113.30 1ulc s LEU 147 Ca 0.55 0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 54.22 1ulc s LEU 147 Cb -0.33 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.32 1ulc s LEU 147 CO 0.35 0.30 1.04 -2.16 0.23 0.00 0.00 176.35 176.11 1ulc s PRO 148 N -1.39 3.38 0.30 1.29 0.04 -1.26 -4.91 135.00 132.46 1ulc s PRO 148 Ca 0.24 0.91 0.22 0.00 0.04 0.00 0.00 61.00 62.41 1ulc s PRO 148 Cb -0.14 -2.05 1.10 0.00 0.04 0.00 0.00 34.50 33.45 1ulc s PRO 148 CO 0.13 -0.74 1.66 -0.35 0.04 0.00 0.00 177.00 177.73 1ulc n PRO 149 N -2.61 0.15 0.00 0.56 -0.04 -1.26 -5.31 135.00 126.49 1ulc n PRO 149 Ca 0.07 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 1ulc n PRO 149 Cb 0.54 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 1ulc n PRO 149 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46