#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugk n SER 2 N 0.00 -6.05 -3.78 1.61 2.88 -1.26 -5.09 113.62 101.94 1ugk n SER 2 Ca 0.00 1.17 -0.06 0.00 -1.33 0.00 0.00 58.87 58.65 1ugk n SER 2 Cb 0.00 -3.19 -0.02 0.00 -0.75 0.00 0.00 64.21 60.25 1ugk n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ugk s SER 3 N -4.14 -0.25 0.00 -3.46 1.04 -1.26 -5.09 113.70 100.54 1ugk s SER 3 Ca 0.00 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.96 1ugk s SER 3 Cb 0.00 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1ugk s SER 3 CO 0.00 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.71 1ugk n GLY 4 N -0.45 -1.81 3.45 7.32 0.00 -1.26 -5.07 105.19 107.37 1ugk n GLY 4 Ca -0.06 0.60 -0.22 0.00 0.00 0.00 0.00 46.02 46.35 1ugk n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ugk n SER 5 N 0.00 -6.01 -3.59 1.61 3.41 -1.26 -5.00 113.62 102.78 1ugk n SER 5 Ca 0.00 -0.38 -0.10 0.00 -0.26 0.00 0.00 58.87 58.13 1ugk n SER 5 Cb 0.00 -2.86 -0.02 0.00 -0.26 0.00 0.00 64.21 61.06 1ugk n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ugk s SER 6 N -2.53 -0.44 -0.27 4.04 0.15 -1.26 -5.14 113.70 108.25 1ugk s SER 6 Ca 0.14 -0.24 -0.19 0.00 0.70 0.00 0.00 55.95 56.36 1ugk s SER 6 Cb -0.02 0.65 -0.02 0.00 -1.71 0.00 0.00 66.02 64.91 1ugk s SER 6 CO 0.85 -1.11 0.56 -0.83 1.20 0.00 0.00 173.24 173.91 1ugk s GLY 7 N -2.82 1.82 0.00 9.45 0.00 -1.26 -4.83 107.32 109.68 1ugk s GLY 7 Ca 0.05 -0.58 0.00 0.00 0.00 0.00 0.00 44.72 44.19 1ugk s GLY 7 CO -0.05 1.33 0.61 1.04 0.00 0.00 0.00 173.10 176.02 1ugk n LEU 8 N 5.64 0.00 0.00 0.66 7.99 -0.99 -5.00 117.00 125.30 1ugk n LEU 8 Ca -0.03 0.61 0.00 0.00 -0.01 0.00 0.00 56.01 56.58 1ugk n LEU 8 Cb 0.49 -0.11 0.00 0.00 -0.11 0.00 0.00 43.42 43.70 1ugk n LEU 8 CO 0.42 -0.11 0.00 0.61 -1.51 0.00 0.00 177.39 176.80 1ugk n GLY 9 N -0.71 1.13 3.70 -0.72 0.00 -1.03 -4.22 105.19 103.33 1ugk n GLY 9 Ca 0.00 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 1ugk n GLY 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ugk s THR 10 N -2.00 1.62 -0.14 2.61 2.01 -0.36 0.11 115.64 119.49 1ugk s THR 10 Ca 0.00 -1.97 -0.04 0.00 0.31 0.00 0.00 61.69 59.99 1ugk s THR 10 Cb 0.00 -2.59 0.07 0.00 0.01 0.00 0.00 72.50 69.99 1ugk s THR 10 CO 0.00 0.00 0.20 -0.22 -0.69 0.00 0.00 174.62 173.91 1ugk s LEU 11 N -3.81 -0.12 -0.12 4.42 0.20 0.44 -3.52 118.68 116.17 1ugk s LEU 11 Ca 0.22 0.15 -0.08 0.00 0.69 0.00 0.00 54.13 55.10 1ugk s LEU 11 Cb 0.05 0.38 -0.04 0.00 -0.43 0.00 0.00 46.19 46.16 1ugk s LEU 11 CO 0.11 -0.28 0.16 -0.36 -0.29 0.00 0.00 176.35 175.70 1ugk s PHE 12 N 2.33 3.59 0.19 5.38 0.08 -0.85 -1.34 117.98 127.35 1ugk s PHE 12 Ca 0.04 0.54 -0.23 0.00 0.12 0.00 0.00 56.93 57.40 1ugk s PHE 12 Cb -0.14 -2.00 0.06 0.00 -0.57 0.00 0.00 43.02 40.37 1ugk s PHE 12 CO -0.09 0.67 0.92 -0.59 -0.10 0.00 0.00 175.22 176.04 1ugk s PHE 13 N -0.85 -0.10 -0.01 0.36 -0.71 -0.32 -1.72 117.98 114.64 1ugk s PHE 13 Ca 0.15 -0.27 -0.05 0.00 -1.04 0.00 0.00 56.93 55.72 1ugk s PHE 13 Cb -0.12 0.67 -0.00 0.00 -1.21 0.00 0.00 43.02 42.36 1ugk s PHE 13 CO 0.04 -0.95 0.09 -1.54 -1.34 0.00 0.00 175.22 171.52 1ugk s SER 14 N -3.01 0.03 0.04 1.98 1.04 -1.04 0.03 113.70 112.77 1ugk s SER 14 Ca 0.14 -0.15 0.04 0.00 0.48 0.00 0.00 55.95 56.46 1ugk s SER 14 Cb -0.02 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.25 1ugk s SER 14 CO 0.04 -0.26 -0.07 -0.76 0.98 0.00 0.00 173.24 173.18 1ugk s LEU 15 N -0.97 3.18 -0.24 2.42 1.43 -0.76 -1.24 118.68 122.50 1ugk s LEU 15 Ca -0.11 -0.20 -0.20 0.00 -1.03 0.00 0.00 54.13 52.60 1ugk s LEU 15 Cb -0.06 -1.87 0.06 0.00 0.03 0.00 0.00 46.19 44.35 1ugk s LEU 15 CO 0.01 0.25 0.62 -0.70 0.23 0.00 0.00 176.35 176.76 1ugk s GLU 16 N -1.70 0.70 -0.21 1.70 2.56 0.33 -2.00 118.70 120.09 1ugk s GLU 16 Ca 0.19 0.93 -0.03 0.00 0.00 0.00 0.00 54.97 56.06 1ugk s GLU 16 Cb -0.11 0.29 -0.01 0.00 2.00 0.00 0.00 34.13 36.30 1ugk s GLU 16 CO 0.10 -0.10 -0.05 -0.47 -0.56 0.00 0.00 175.26 174.18 1ugk s TYR 17 N 0.64 2.95 -0.94 5.30 5.04 -1.26 0.19 117.35 129.27 1ugk s TYR 17 Ca -0.02 -0.89 -0.23 0.00 -2.44 0.00 0.00 57.07 53.49 1ugk s TYR 17 Cb -0.05 -2.07 -0.13 0.00 0.35 0.00 0.00 41.96 40.05 1ugk s TYR 17 CO -0.04 -0.50 1.92 -1.71 -1.34 0.00 0.00 175.55 173.88 1ugk n ASN 18 N 4.63 2.73 -0.25 4.32 2.85 0.52 -4.71 115.26 125.35 1ugk n ASN 18 Ca -0.18 -2.68 0.05 0.00 -0.11 0.00 0.00 54.58 51.66 1ugk n ASN 18 Cb 0.51 -1.40 0.18 0.00 1.24 0.00 0.00 39.78 40.31 1ugk n ASN 18 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1ugk h PHE 19 N 8.85 0.27 -0.81 1.20 -1.00 -1.93 1.68 116.94 125.20 1ugk h PHE 19 Ca 0.32 0.04 0.16 0.00 2.81 0.00 0.00 57.97 61.30 1ugk h PHE 19 Cb 0.80 -0.00 -0.15 0.00 3.61 0.00 0.00 35.95 40.20 1ugk h PHE 19 CO 1.22 -0.08 -0.24 1.49 -1.61 0.00 0.00 178.31 179.09 1ugk h GLU 20 N 0.27 -0.02 -0.32 1.51 4.81 -1.95 0.21 114.58 119.08 1ugk h GLU 20 Ca 0.41 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.52 1ugk h GLU 20 Cb 0.69 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.01 1ugk h GLU 20 CO -0.50 -0.01 -0.03 0.54 -0.73 0.00 0.00 179.01 178.28 1ugk n ARG 21 N -5.52 2.22 -3.66 1.92 1.74 -0.19 -4.98 116.66 108.19 1ugk n ARG 21 Ca 0.11 -3.03 -0.24 0.00 -0.77 0.00 0.00 57.85 53.92 1ugk n ARG 21 Cb 0.41 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 1ugk n ARG 21 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ugk n LYS 22 N -0.92 -0.99 -4.34 5.56 4.01 0.54 -4.86 118.16 117.16 1ugk n LYS 22 Ca 0.29 0.40 -0.17 0.00 -0.51 0.00 0.00 58.31 58.32 1ugk n LYS 22 Cb 0.98 -1.72 -0.10 0.00 -0.51 0.00 0.00 35.03 33.68 1ugk n LYS 22 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ugk s ALA 23 N -3.06 1.86 -0.09 7.82 0.00 0.81 -4.30 121.76 124.79 1ugk s ALA 23 Ca 0.10 -1.83 0.01 0.00 0.00 0.00 0.00 51.96 50.24 1ugk s ALA 23 Cb -0.06 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 1ugk s ALA 23 CO 0.72 -0.32 -0.11 0.12 0.00 0.00 0.00 175.76 176.18 1ugk s PHE 24 N -3.50 2.84 -0.12 0.00 5.36 -0.40 0.19 117.98 122.36 1ugk s PHE 24 Ca 0.32 -0.29 0.00 0.00 -0.96 0.00 0.00 56.93 56.01 1ugk s PHE 24 Cb 0.07 -1.76 0.02 0.00 -0.34 0.00 0.00 43.02 41.01 1ugk s PHE 24 CO 0.11 0.07 -0.11 0.08 -1.46 0.00 0.00 175.22 173.90 1ugk s VAL 25 N -0.26 1.26 -0.48 3.12 1.01 0.52 -1.56 120.40 124.01 1ugk s VAL 25 Ca 0.02 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1ugk s VAL 25 Cb -0.13 -1.21 0.13 0.00 0.00 0.00 0.00 36.38 35.17 1ugk s VAL 25 CO 0.03 0.40 0.24 -0.69 0.00 0.00 0.00 175.10 175.08 1ugk s VAL 26 N 1.41 2.97 0.26 2.92 1.01 -0.95 -0.51 120.40 127.51 1ugk s VAL 26 Ca 0.01 -2.68 -0.29 0.00 0.00 0.00 0.00 61.98 59.01 1ugk s VAL 26 Cb -0.13 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 1ugk s VAL 26 CO -0.06 -0.74 0.99 0.21 0.00 0.00 0.00 175.10 175.49 1ugk s ASN 27 N 0.77 7.48 -0.36 3.32 3.84 -0.37 -3.28 114.94 126.34 1ugk s ASN 27 Ca 0.13 2.03 0.02 0.00 0.21 0.00 0.00 52.86 55.25 1ugk s ASN 27 Cb -0.22 -2.61 0.10 0.00 -0.55 0.00 0.00 41.25 37.97 1ugk s ASN 27 CO -0.04 0.03 0.10 -0.63 -2.79 0.00 0.00 177.10 173.77 1ugk s ILE 28 N -1.23 2.59 0.00 -5.21 1.01 -0.03 -2.51 121.20 115.81 1ugk s ILE 28 Ca 0.43 -2.25 0.00 0.00 0.00 0.00 0.00 60.65 58.83 1ugk s ILE 28 Cb -0.27 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.34 1ugk s ILE 28 CO 0.34 -0.62 0.00 1.17 0.00 0.00 0.00 174.94 175.82 1ugk n LYS 29 N 4.36 2.38 -4.16 2.79 4.81 -0.70 0.12 118.16 127.76 1ugk n LYS 29 Ca 0.02 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.19 1ugk n LYS 29 Cb 0.42 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.42 1ugk n LYS 29 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1ugk s GLU 30 N 0.00 2.24 -0.06 1.64 -1.05 -1.23 -1.47 118.70 118.78 1ugk s GLU 30 Ca 0.00 -2.04 0.03 0.00 -0.15 0.00 0.00 54.97 52.81 1ugk s GLU 30 Cb 0.00 -1.94 0.01 0.00 -0.44 0.00 0.00 34.13 31.76 1ugk s GLU 30 CO 0.00 -0.39 -0.13 0.00 0.95 0.00 0.00 175.26 175.69 1ugk s ALA 31 N -2.73 1.27 -0.03 -0.84 0.00 -0.24 -2.00 121.76 117.18 1ugk s ALA 31 Ca 0.30 -0.46 0.07 0.00 0.00 0.00 0.00 51.96 51.87 1ugk s ALA 31 Cb 0.01 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1ugk s ALA 31 CO 0.18 0.15 -0.24 1.03 0.00 0.00 0.00 175.76 176.88 1ugk s ARG 32 N 0.50 2.06 0.00 0.00 0.52 -1.23 -3.10 118.95 117.70 1ugk s ARG 32 Ca -0.12 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.25 1ugk s ARG 32 Cb -0.14 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.42 1ugk s ARG 32 CO 0.03 0.46 0.00 0.41 0.02 0.00 0.00 175.30 176.23 1ugk n GLY 33 N 2.64 0.83 3.27 -3.53 0.00 -1.26 -1.22 105.19 105.91 1ugk n GLY 33 Ca -0.16 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 1ugk n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ugk s LEU 34 N -1.25 2.55 0.11 0.99 1.43 -1.23 -2.46 118.68 118.82 1ugk s LEU 34 Ca 0.00 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.34 1ugk s LEU 34 Cb 0.00 -1.60 -0.06 0.00 0.03 0.00 0.00 46.19 44.56 1ugk s LEU 34 CO 0.00 0.06 1.14 -2.16 0.23 0.00 0.00 176.35 175.62 1ugk s PRO 35 N 0.97 4.51 0.35 1.29 0.04 -1.26 -4.82 135.00 136.08 1ugk s PRO 35 Ca -0.02 1.73 -0.28 0.00 0.04 0.00 0.00 61.00 62.47 1ugk s PRO 35 Cb -0.15 -3.32 -0.10 0.00 0.04 0.00 0.00 34.50 30.98 1ugk s PRO 35 CO -0.02 -0.10 1.26 0.00 0.04 0.00 0.00 177.00 178.19 1ugk s ALA 36 N 0.44 3.39 -0.15 8.56 0.00 -1.26 -4.95 121.76 127.80 1ugk s ALA 36 Ca 0.54 1.17 -0.04 0.00 0.00 0.00 0.00 51.96 53.63 1ugk s ALA 36 Cb -0.29 -3.45 -0.24 0.00 0.00 0.00 0.00 23.12 19.14 1ugk s ALA 36 CO 0.32 -0.61 0.25 -1.33 0.00 0.00 0.00 175.76 174.39 1ugk n MET 37 N 0.60 0.73 -1.91 0.00 2.81 -1.26 -4.95 117.12 113.14 1ugk n MET 37 Ca 0.01 0.24 -0.30 0.00 -1.81 0.00 0.00 57.70 55.84 1ugk n MET 37 Cb 0.43 -1.67 0.18 0.00 -0.71 0.00 0.00 33.22 31.46 1ugk n MET 37 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1ugk s ASP 38 N -6.88 3.10 0.01 7.83 2.15 -1.26 -5.04 116.67 116.57 1ugk s ASP 38 Ca -0.24 0.29 0.00 0.00 0.43 0.00 0.00 52.55 53.02 1ugk s ASP 38 Cb 0.07 -0.34 0.00 0.00 -0.30 0.00 0.00 42.92 42.35 1ugk s ASP 38 CO 0.74 -2.75 0.00 -0.62 -0.17 0.00 0.00 175.17 172.37 1ugk n GLU 39 N -3.78 0.00 -0.33 4.34 1.02 -1.26 -4.76 120.64 115.87 1ugk n GLU 39 Ca 0.15 0.00 0.24 0.00 -0.02 0.00 0.00 57.16 57.53 1ugk n GLU 39 Cb 0.59 -0.39 0.45 0.00 -0.02 0.00 0.00 31.44 32.08 1ugk n GLU 39 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1ugk h GLN 40 N 0.00 0.04 -3.98 3.49 4.20 -1.98 -3.33 115.11 113.55 1ugk h GLN 40 Ca 0.00 -0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.23 1ugk h GLN 40 Cb 0.73 -0.01 -0.37 0.00 0.30 0.00 0.00 27.48 28.13 1ugk h GLN 40 CO 0.00 0.02 -0.78 -1.12 -0.67 0.00 0.00 178.83 176.28 1ugk s SER 41 N -4.76 1.82 -0.51 1.46 0.01 -1.26 -5.04 113.70 105.42 1ugk s SER 41 Ca -0.11 -0.19 -0.25 0.00 1.31 0.00 0.00 55.95 56.71 1ugk s SER 41 Cb 0.31 -0.63 -0.23 0.00 0.21 0.00 0.00 66.02 65.68 1ugk s SER 41 CO 0.78 -0.15 1.81 0.80 0.41 0.00 0.00 173.24 176.90 1ugk n MET 42 N 4.96 0.99 -3.74 12.44 1.56 -1.25 -4.65 117.12 127.43 1ugk n MET 42 Ca -0.11 -1.56 -0.03 0.00 -0.27 0.00 0.00 57.70 55.74 1ugk n MET 42 Cb 0.50 -2.77 -0.01 0.00 2.15 0.00 0.00 33.22 33.09 1ugk n MET 42 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1ugk s THR 43 N 5.67 0.00 0.24 1.12 -1.32 -1.26 -4.92 115.64 115.17 1ugk s THR 43 Ca 0.61 -0.59 -0.21 0.00 -1.21 0.00 0.00 61.69 60.29 1ugk s THR 43 Cb 0.15 -2.02 0.07 0.00 -1.51 0.00 0.00 72.50 69.18 1ugk s THR 43 CO 0.20 0.00 0.95 -0.94 -2.21 0.00 0.00 174.62 172.61 1ugk s SER 44 N -2.96 -0.04 -0.63 8.08 1.04 -1.25 -4.30 113.70 113.64 1ugk s SER 44 Ca 0.13 -0.75 0.06 0.00 0.48 0.00 0.00 55.95 55.87 1ugk s SER 44 Cb -0.00 0.60 0.24 0.00 0.10 0.00 0.00 66.02 66.95 1ugk s SER 44 CO 0.01 -1.17 0.70 0.47 0.98 0.00 0.00 173.24 174.23 1ugk n ASP 45 N -1.10 3.44 -4.79 7.02 8.00 -0.85 -1.54 116.55 126.72 1ugk n ASP 45 Ca -0.05 -3.37 -0.34 0.00 0.71 0.00 0.00 54.79 51.74 1ugk n ASP 45 Cb 0.60 -0.68 -0.04 0.00 -0.02 0.00 0.00 41.12 40.98 1ugk n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1ugk s PRO 46 N -2.26 3.86 -0.03 -0.24 0.04 -1.26 -1.42 135.00 133.69 1ugk s PRO 46 Ca 0.38 1.39 -0.02 0.00 0.04 0.00 0.00 61.00 62.78 1ugk s PRO 46 Cb 0.13 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1ugk s PRO 46 CO -0.04 -0.38 0.07 1.52 0.04 0.00 0.00 177.00 178.21 1ugk s TYR 47 N -1.93 -0.08 0.09 0.56 1.13 -1.21 -4.20 117.35 111.72 1ugk s TYR 47 Ca 0.66 0.21 -0.13 0.00 -1.41 0.00 0.00 57.07 56.40 1ugk s TYR 47 Cb -0.17 -0.01 -0.06 0.00 -1.10 0.00 0.00 41.96 40.62 1ugk s TYR 47 CO 0.21 -0.06 0.46 0.42 -2.51 0.00 0.00 175.55 174.08 1ugk s ILE 48 N 0.25 4.98 0.26 -3.49 1.01 -1.26 -1.08 121.20 121.88 1ugk s ILE 48 Ca -0.02 0.68 0.07 0.00 0.00 0.00 0.00 60.65 61.39 1ugk s ILE 48 Cb -0.03 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 1ugk s ILE 48 CO -0.01 0.33 0.20 -0.54 0.00 0.00 0.00 174.94 174.92 1ugk s LYS 49 N -1.77 2.88 -0.04 2.79 1.02 -0.25 -1.58 119.74 122.80 1ugk s LYS 49 Ca 0.33 -1.09 0.01 0.00 0.02 0.00 0.00 55.97 55.24 1ugk s LYS 49 Cb -0.15 -2.54 0.02 0.00 -0.52 0.00 0.00 37.83 34.64 1ugk s LYS 49 CO 0.18 0.36 -0.02 1.41 -0.92 0.00 0.00 175.35 176.36 1ugk s MET 50 N -3.86 0.58 -0.03 1.68 1.75 0.28 -3.16 119.30 116.54 1ugk s MET 50 Ca 0.34 -0.02 -0.02 0.00 -1.25 0.00 0.00 55.69 54.74 1ugk s MET 50 Cb -0.08 -0.67 0.01 0.00 2.84 0.00 0.00 34.83 36.94 1ugk s MET 50 CO 0.25 -0.11 0.07 0.99 -0.65 0.00 0.00 175.02 175.57 1ugk s THR 51 N 0.97 -0.01 -0.86 10.11 2.01 -1.22 -1.13 115.64 125.50 1ugk s THR 51 Ca -0.10 0.05 -0.18 0.00 0.31 0.00 0.00 61.69 61.77 1ugk s THR 51 Cb -0.14 -0.11 0.14 0.00 0.01 0.00 0.00 72.50 72.40 1ugk s THR 51 CO -0.01 0.02 1.02 -0.63 -0.69 0.00 0.00 174.62 174.33 1ugk s ILE 52 N 0.33 4.83 0.46 1.82 1.01 -1.22 -2.11 121.20 126.32 1ugk s ILE 52 Ca -0.02 -1.54 -0.10 0.00 0.00 0.00 0.00 60.65 58.98 1ugk s ILE 52 Cb -0.04 -4.70 -0.06 0.00 0.01 0.00 0.00 42.46 37.68 1ugk s ILE 52 CO -0.01 -1.40 0.83 -0.76 0.00 0.00 0.00 174.94 173.60 1ugk s LEU 53 N 2.45 3.70 0.38 2.97 2.01 0.51 0.20 118.68 130.89 1ugk s LEU 53 Ca 0.27 1.19 0.20 0.00 0.01 0.00 0.00 54.13 55.80 1ugk s LEU 53 Cb -0.09 -4.11 0.56 0.00 0.01 0.00 0.00 46.19 42.57 1ugk s LEU 53 CO -0.06 -0.51 1.67 1.55 1.01 0.00 0.00 176.35 180.01 1ugk h PRO 54 N 0.84 0.00 -0.02 1.29 0.13 -1.81 1.22 132.00 133.65 1ugk h PRO 54 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ugk h PRO 54 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ugk h PRO 54 CO 0.63 0.33 -0.01 0.39 -0.23 0.00 0.00 178.00 179.10 1ugk n GLU 55 N -3.33 -0.01 -0.98 0.86 4.71 -0.96 -4.69 120.64 116.24 1ugk n GLU 55 Ca 0.01 0.20 0.00 0.00 -0.01 0.00 0.00 57.16 57.36 1ugk n GLU 55 Cb 0.55 -0.30 0.00 0.00 -1.01 0.00 0.00 31.44 30.68 1ugk n GLU 55 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1ugk n LYS 56 N -2.38 -0.03 0.00 3.49 4.81 0.54 -4.94 118.16 119.65 1ugk n LYS 56 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1ugk n LYS 56 Cb 0.00 -2.76 0.00 0.00 0.02 0.00 0.00 35.03 32.29 1ugk n LYS 56 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ugk n LYS 57 N -2.23 0.00 -1.51 1.64 4.76 -1.26 -4.52 118.16 115.04 1ugk n LYS 57 Ca 0.00 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.12 1ugk n LYS 57 Cb 0.01 -0.25 -0.15 0.00 -1.84 0.00 0.00 35.03 32.80 1ugk n LYS 57 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1ugk n HIS 58 N 0.00 0.57 -3.72 2.13 8.25 -1.26 -4.84 115.22 116.35 1ugk n HIS 58 Ca 0.00 0.20 -0.37 0.00 -0.26 0.00 0.00 57.72 57.29 1ugk n HIS 58 Cb 0.00 -1.89 -0.12 0.00 1.12 0.00 0.00 29.99 29.10 1ugk n HIS 58 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1ugk s LYS 59 N 8.32 3.66 0.05 -0.41 1.02 -1.26 -3.40 119.74 127.71 1ugk s LYS 59 Ca 1.26 -0.48 0.03 0.00 0.02 0.00 0.00 55.97 56.80 1ugk s LYS 59 Cb -0.90 -3.40 -0.02 0.00 -0.52 0.00 0.00 37.83 32.99 1ugk s LYS 59 CO 0.45 -0.22 -0.09 0.14 -0.92 0.00 0.00 175.35 174.71 1ugk s VAL 60 N 1.64 0.68 0.15 3.17 -7.23 -0.29 -5.03 120.40 113.49 1ugk s VAL 60 Ca 0.06 -1.12 0.03 0.00 -1.81 0.00 0.00 61.98 59.14 1ugk s VAL 60 Cb -0.15 -0.72 -0.05 0.00 0.56 0.00 0.00 36.38 36.02 1ugk s VAL 60 CO 0.05 -0.33 -0.04 -1.59 -0.31 0.00 0.00 175.10 172.88 1ugk s LYS 61 N -1.59 1.05 0.49 4.82 -2.85 -1.26 0.10 119.74 120.49 1ugk s LYS 61 Ca -0.08 -1.47 -0.01 0.00 -1.00 0.00 0.00 55.97 53.41 1ugk s LYS 61 Cb -0.10 -0.37 0.00 0.00 -2.06 0.00 0.00 37.83 35.30 1ugk s LYS 61 CO 0.01 -0.05 0.73 0.95 0.10 0.00 0.00 175.35 177.09 1ugk s THR 62 N -3.55 3.82 1.07 3.79 -4.23 -0.61 -4.95 115.64 110.99 1ugk s THR 62 Ca 0.19 -0.40 -0.12 0.00 -1.18 0.00 0.00 61.69 60.18 1ugk s THR 62 Cb 0.05 -3.44 0.22 0.00 1.34 0.00 0.00 72.50 70.68 1ugk s THR 62 CO 0.01 -0.34 1.01 -2.11 -0.54 0.00 0.00 174.62 172.66 1ugk n ARG 63 N -2.21 -1.62 -3.60 3.99 1.85 -1.26 -4.72 116.66 109.10 1ugk n ARG 63 Ca 0.03 -0.43 -0.40 0.00 -1.00 0.00 0.00 57.85 56.05 1ugk n ARG 63 Cb 0.58 -2.22 -0.09 0.00 -1.05 0.00 0.00 32.46 29.67 1ugk n ARG 63 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1ugk s VAL 64 N -2.49 4.04 1.07 8.89 1.01 -1.26 -4.71 120.40 126.95 1ugk s VAL 64 Ca 0.67 -1.82 -0.13 0.00 0.00 0.00 0.00 61.98 60.71 1ugk s VAL 64 Cb -0.24 -3.67 0.20 0.00 0.00 0.00 0.00 36.38 32.67 1ugk s VAL 64 CO 0.63 -0.75 0.87 0.18 0.00 0.00 0.00 175.10 176.03 1ugk n LEU 65 N 4.85 0.05 -4.20 3.92 7.99 -1.26 -5.01 117.00 123.34 1ugk n LEU 65 Ca -0.07 0.07 -0.32 0.00 -0.01 0.00 0.00 56.01 55.68 1ugk n LEU 65 Cb 0.41 -1.29 -0.17 0.00 -0.11 0.00 0.00 43.42 42.27 1ugk n LEU 65 CO 0.41 -2.95 -0.55 -0.13 -1.51 0.00 0.00 177.39 172.65 1ugk s ARG 66 N -4.28 3.00 -0.22 3.23 1.81 -1.26 -4.41 118.95 116.82 1ugk s ARG 66 Ca 0.65 -0.86 -0.15 0.00 -1.72 0.00 0.00 55.73 53.66 1ugk s ARG 66 Cb -0.23 -2.31 0.02 0.00 -0.45 0.00 0.00 34.95 31.99 1ugk s ARG 66 CO 0.63 0.12 0.28 1.63 -0.68 0.00 0.00 175.30 177.28 1ugk n LYS 67 N 3.69 -1.36 -3.65 3.54 5.02 -1.24 -5.00 118.16 119.16 1ugk n LYS 67 Ca -0.19 1.32 -0.03 0.00 -2.02 0.00 0.00 58.31 57.39 1ugk n LYS 67 Cb 0.53 -2.19 -0.07 0.00 -0.02 0.00 0.00 35.03 33.28 1ugk n LYS 67 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1ugk s THR 68 N -1.36 0.00 -0.15 -0.18 -1.32 -0.59 -4.89 115.64 107.16 1ugk s THR 68 Ca 0.15 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.83 1ugk s THR 68 Cb -0.02 -1.00 -0.15 0.00 -1.51 0.00 0.00 72.50 69.82 1ugk s THR 68 CO 0.45 0.00 0.75 0.18 -2.21 0.00 0.00 174.62 173.79 1ugk n LEU 69 N 1.73 0.59 -3.94 9.08 4.77 -1.26 -3.89 117.00 124.06 1ugk n LEU 69 Ca -0.11 0.24 -0.30 0.00 -0.03 0.00 0.00 56.01 55.82 1ugk n LEU 69 Cb 0.57 0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.57 1ugk n LEU 69 CO 0.01 0.03 -0.14 -1.81 -1.33 0.00 0.00 177.39 174.16 1ugk s ASP 70 N -5.33 4.47 0.19 -1.43 1.01 -1.26 -3.58 116.67 110.75 1ugk s ASP 70 Ca -0.04 -3.22 -0.30 0.00 0.71 0.00 0.00 52.55 49.70 1ugk s ASP 70 Cb 0.10 -1.65 -0.08 0.00 1.01 0.00 0.00 42.92 42.30 1ugk s ASP 70 CO 0.83 -0.20 1.11 -2.16 0.21 0.00 0.00 175.17 174.96 1ugk s PRO 71 N -0.58 4.59 -0.51 8.23 0.04 -1.18 -4.81 135.00 140.77 1ugk s PRO 71 Ca 0.19 1.75 0.01 0.00 0.04 0.00 0.00 61.00 62.99 1ugk s PRO 71 Cb -0.21 -3.26 0.13 0.00 0.04 0.00 0.00 34.50 31.21 1ugk s PRO 71 CO -0.04 0.08 0.28 0.00 0.04 0.00 0.00 177.00 177.36 1ugk s ALA 72 N -0.36 3.32 -0.09 8.56 0.00 -1.26 -1.08 121.76 130.85 1ugk s ALA 72 Ca 0.49 -3.04 -0.20 0.00 0.00 0.00 0.00 51.96 49.21 1ugk s ALA 72 Cb -0.30 -2.34 -0.28 0.00 0.00 0.00 0.00 23.12 20.19 1ugk s ALA 72 CO 0.36 -1.96 0.69 0.74 0.00 0.00 0.00 175.76 175.59 1ugk h PHE 73 N 7.10 0.41 -7.10 0.00 0.04 -1.74 -3.48 116.94 112.17 1ugk h PHE 73 Ca -0.06 -0.30 -0.61 0.00 2.80 0.00 0.00 57.97 59.80 1ugk h PHE 73 Cb 0.96 -0.02 -0.31 0.00 2.20 0.00 0.00 35.95 38.78 1ugk h PHE 73 CO 0.58 1.40 -0.92 -0.25 -0.60 0.00 0.00 178.31 178.52 1ugk n ASP 74 N -4.11 -0.64 -4.03 2.17 8.00 0.32 -4.89 116.55 113.37 1ugk n ASP 74 Ca -0.19 -1.24 -0.22 0.00 0.71 0.00 0.00 54.79 53.84 1ugk n ASP 74 Cb 0.81 -1.57 0.13 0.00 -0.02 0.00 0.00 41.12 40.48 1ugk n ASP 74 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ugk n GLU 75 N -4.22 -0.45 -3.65 -1.24 -0.58 -0.32 -4.79 120.64 105.40 1ugk n GLU 75 Ca -0.07 -2.17 -0.06 0.00 -0.42 0.00 0.00 57.16 54.44 1ugk n GLU 75 Cb 0.55 -0.82 -0.07 0.00 -0.57 0.00 0.00 31.44 30.53 1ugk n GLU 75 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1ugk s THR 76 N -3.02 -0.27 -0.08 2.62 2.01 -1.26 -0.85 115.64 114.79 1ugk s THR 76 Ca 0.61 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.66 1ugk s THR 76 Cb -0.03 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.51 1ugk s THR 76 CO 0.42 0.01 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.82 1ugk s PHE 77 N 1.96 2.66 0.20 4.92 0.08 -1.20 -4.97 117.98 121.63 1ugk s PHE 77 Ca -0.09 -0.50 0.05 0.00 0.12 0.00 0.00 56.93 56.52 1ugk s PHE 77 Cb -0.07 -1.69 -0.03 0.00 -0.57 0.00 0.00 43.02 40.65 1ugk s PHE 77 CO -0.19 -0.07 0.24 0.99 -0.10 0.00 0.00 175.22 176.09 1ugk s THR 78 N -0.19 4.86 -0.23 0.64 2.01 -1.26 -2.25 115.64 119.22 1ugk s THR 78 Ca -0.01 -1.05 -0.10 0.00 0.31 0.00 0.00 61.69 60.84 1ugk s THR 78 Cb -0.13 -3.56 0.08 0.00 0.01 0.00 0.00 72.50 68.90 1ugk s THR 78 CO 0.03 -0.22 0.52 -0.36 -0.69 0.00 0.00 174.62 173.90 1ugk s PHE 79 N -1.91 -0.89 0.12 4.92 0.08 -0.60 -4.97 117.98 114.73 1ugk s PHE 79 Ca 0.33 1.74 0.03 0.00 0.12 0.00 0.00 56.93 59.15 1ugk s PHE 79 Cb -0.09 0.46 -0.04 0.00 -0.57 0.00 0.00 43.02 42.78 1ugk s PHE 79 CO 0.26 -0.48 0.17 0.71 -0.10 0.00 0.00 175.22 175.79 1ugk s TYR 80 N 2.03 3.30 0.00 0.36 2.02 -1.26 -1.27 117.35 122.53 1ugk s TYR 80 Ca -0.07 0.08 0.00 0.00 -0.37 0.00 0.00 57.07 56.71 1ugk s TYR 80 Cb -0.09 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.85 1ugk s TYR 80 CO -0.16 0.53 0.00 0.41 -1.57 0.00 0.00 175.55 174.76 1ugk n GLY 81 N -0.11 2.68 3.35 0.71 0.00 -1.26 -5.00 105.19 105.57 1ugk n GLY 81 Ca -0.07 -0.62 -0.55 0.00 0.00 0.00 0.00 46.02 44.77 1ugk n GLY 81 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ugk n ILE 82 N 0.00 0.08 -2.48 -0.61 -0.00 -1.26 -4.85 119.36 110.24 1ugk n ILE 82 Ca 0.00 -0.12 -0.41 0.00 -0.00 0.00 0.00 62.75 62.22 1ugk n ILE 82 Cb 0.00 -1.02 -0.04 0.00 -0.00 0.00 0.00 39.64 38.58 1ugk n ILE 82 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1ugk s PRO 83 N 6.28 4.55 0.56 0.38 0.04 -1.26 -4.66 135.00 140.88 1ugk s PRO 83 Ca 1.16 1.74 0.35 0.00 0.04 0.00 0.00 61.00 64.29 1ugk s PRO 83 Cb -1.19 -3.29 1.49 0.00 0.04 0.00 0.00 34.50 31.55 1ugk s PRO 83 CO 0.57 -0.01 1.77 -0.92 0.04 0.00 0.00 177.00 178.45 1ugk h TYR 84 N 5.46 0.00 0.00 0.56 3.20 -1.91 1.97 116.97 126.25 1ugk h TYR 84 Ca -0.44 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.40 1ugk h TYR 84 Cb 1.21 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 1ugk h TYR 84 CO 0.63 0.00 -0.17 1.79 -1.64 0.00 0.00 178.16 178.77 1ugk h THR 85 N 0.00 0.48 0.00 1.81 1.35 -1.99 -2.22 112.91 112.35 1ugk h THR 85 Ca 0.51 -0.91 -0.02 0.00 -0.55 0.00 0.00 66.41 65.44 1ugk h THR 85 Cb 2.19 1.63 -0.00 0.00 -1.73 0.00 0.00 68.15 70.24 1ugk h THR 85 CO -0.01 0.17 -0.53 -0.61 -0.25 0.00 0.00 175.52 174.29 1ugk h GLN 86 N 0.00 0.00 -0.71 4.72 4.15 0.28 -3.32 115.11 120.22 1ugk h GLN 86 Ca -0.00 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.56 1ugk h GLN 86 Cb 0.62 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.21 1ugk h GLN 86 CO 0.02 0.06 0.22 0.82 -1.93 0.00 0.00 178.83 178.02 1ugk h ILE 87 N 0.00 0.60 0.00 2.39 1.08 -1.01 1.45 117.51 122.02 1ugk h ILE 87 Ca -0.01 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1ugk h ILE 87 Cb 1.07 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 35.05 1ugk h ILE 87 CO 0.01 0.06 0.00 0.00 -0.69 0.00 0.00 178.15 177.53 1ugk n GLN 88 N -5.09 0.08 -0.21 2.37 6.02 -1.25 0.30 117.38 119.61 1ugk n GLN 88 Ca 0.13 0.54 0.06 0.00 -0.01 0.00 0.00 57.00 57.73 1ugk n GLN 88 Cb 0.41 -1.74 0.18 0.00 1.02 0.00 0.00 30.24 30.11 1ugk n GLN 88 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1ugk n GLU 89 N -1.91 2.87 -3.31 -1.09 -0.58 0.49 -3.51 120.64 113.59 1ugk n GLU 89 Ca -0.00 -2.14 -0.21 0.00 -0.42 0.00 0.00 57.16 54.38 1ugk n GLU 89 Cb 0.04 -1.32 0.02 0.00 -0.57 0.00 0.00 31.44 29.61 1ugk n GLU 89 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ugk n LEU 90 N 0.63 0.00 -3.43 -4.62 4.77 0.15 -4.18 117.00 110.31 1ugk n LEU 90 Ca 0.13 -2.41 0.02 0.00 -0.03 0.00 0.00 56.01 53.72 1ugk n LEU 90 Cb 0.46 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.37 1ugk n LEU 90 CO 0.09 -0.58 0.83 0.00 -1.33 0.00 0.00 177.39 176.40 1ugk s ALA 91 N -2.67 -2.82 0.02 -1.18 0.00 0.42 -3.09 121.76 112.44 1ugk s ALA 91 Ca 0.34 1.97 -0.20 0.00 0.00 0.00 0.00 51.96 54.07 1ugk s ALA 91 Cb -0.03 -2.06 -0.06 0.00 0.00 0.00 0.00 23.12 20.97 1ugk s ALA 91 CO 0.22 -0.69 0.57 -0.51 0.00 0.00 0.00 175.76 175.35 1ugk s LEU 92 N 1.75 4.45 -0.31 0.00 1.43 -0.78 0.19 118.68 125.41 1ugk s LEU 92 Ca -0.04 1.16 0.01 0.00 -1.03 0.00 0.00 54.13 54.23 1ugk s LEU 92 Cb -0.03 -2.88 0.07 0.00 0.03 0.00 0.00 46.19 43.39 1ugk s LEU 92 CO -0.14 0.17 0.01 -2.28 0.23 0.00 0.00 176.35 174.33 1ugk s HIS 93 N -0.51 3.43 -0.35 0.29 2.46 -0.90 -0.52 115.29 119.20 1ugk s HIS 93 Ca 0.30 -2.36 -0.19 0.00 0.47 0.00 0.00 55.06 53.28 1ugk s HIS 93 Cb -0.18 -2.42 -0.00 0.00 -0.13 0.00 0.00 32.58 29.85 1ugk s HIS 93 CO 0.17 -0.89 0.54 -0.06 -2.47 0.00 0.00 174.74 172.03 1ugk s PHE 94 N 1.11 3.17 -0.26 3.88 0.08 0.20 -3.44 117.98 122.72 1ugk s PHE 94 Ca -0.01 0.21 -0.06 0.00 0.12 0.00 0.00 56.93 57.20 1ugk s PHE 94 Cb -0.20 -2.97 -0.00 0.00 -0.57 0.00 0.00 43.02 39.27 1ugk s PHE 94 CO -0.04 -0.56 0.03 0.99 -0.10 0.00 0.00 175.22 175.53 1ugk s THR 95 N 2.46 3.78 -0.72 0.64 2.01 -1.19 0.77 115.64 123.40 1ugk s THR 95 Ca 0.20 -0.54 -0.22 0.00 0.31 0.00 0.00 61.69 61.44 1ugk s THR 95 Cb -0.15 -2.84 0.08 0.00 0.01 0.00 0.00 72.50 69.59 1ugk s THR 95 CO 0.14 0.25 1.03 -0.63 -0.69 0.00 0.00 174.62 174.71 1ugk s ILE 96 N 1.51 4.33 0.12 1.82 1.09 -0.91 -1.09 121.20 128.06 1ugk s ILE 96 Ca 0.04 -0.50 -0.01 0.00 -1.10 0.00 0.00 60.65 59.08 1ugk s ILE 96 Cb -0.16 -4.73 0.02 0.00 -1.06 0.00 0.00 42.46 36.54 1ugk s ILE 96 CO 0.00 -1.51 0.16 0.18 -0.10 0.00 0.00 174.94 173.68 1ugk n LEU 97 N 7.69 0.00 -3.30 2.97 7.99 -0.24 0.21 117.00 132.33 1ugk n LEU 97 Ca 0.02 -0.29 -0.08 0.00 -0.01 0.00 0.00 56.01 55.65 1ugk n LEU 97 Cb 0.46 -0.11 -0.06 0.00 -0.11 0.00 0.00 43.42 43.60 1ugk n LEU 97 CO 0.63 -0.59 -0.05 -0.55 -1.51 0.00 0.00 177.39 175.32 1ugk s SER 98 N -1.64 0.17 0.45 -1.43 0.15 -0.97 -3.34 113.70 107.09 1ugk s SER 98 Ca 0.10 -0.21 0.08 0.00 0.70 0.00 0.00 55.95 56.63 1ugk s SER 98 Cb -0.00 1.20 0.03 0.00 -1.71 0.00 0.00 66.02 65.54 1ugk s SER 98 CO 0.07 -0.34 0.61 0.12 1.20 0.00 0.00 173.24 174.90 1ugk s PHE 99 N 2.57 2.51 0.00 3.44 5.36 -0.51 -4.26 117.98 127.09 1ugk s PHE 99 Ca 0.11 -0.47 0.00 0.00 -0.96 0.00 0.00 56.93 55.60 1ugk s PHE 99 Cb -0.13 -2.34 0.00 0.00 -0.34 0.00 0.00 43.02 40.21 1ugk s PHE 99 CO -0.27 -0.57 0.00 -3.47 -1.46 0.00 0.00 175.22 169.45 1ugk n ASP 100 N -1.93 0.00 0.01 6.13 2.03 -1.26 -2.01 116.55 119.52 1ugk n ASP 100 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1ugk n ASP 100 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 1ugk n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ugk n ARG 101 N -1.46 0.00 -2.84 -0.67 1.74 -1.26 -4.99 116.66 107.17 1ugk n ARG 101 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 1ugk n ARG 101 Cb 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.47 1ugk n ARG 101 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1ugk n PHE 102 N -2.57 -0.04 0.28 -1.55 -1.74 -1.26 -4.89 117.46 105.70 1ugk n PHE 102 Ca 0.00 -2.95 0.13 0.00 -0.56 0.00 0.00 57.45 54.08 1ugk n PHE 102 Cb 0.00 0.07 0.31 0.00 1.52 0.00 0.00 39.48 41.38 1ugk n PHE 102 CO 0.00 0.00 0.00 0.66 -0.56 0.00 0.00 176.76 176.86 1ugk h SER 103 N 2.87 0.00 -6.33 5.98 4.64 -1.93 -3.48 113.55 115.30 1ugk h SER 103 Ca -0.06 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.80 1ugk h SER 103 Cb 1.12 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.28 1ugk h SER 103 CO 0.39 0.00 -0.95 0.54 -0.87 0.00 0.00 176.83 175.94 1ugk n ARG 104 N -2.98 -1.25 -2.94 4.77 5.12 -1.26 -3.73 116.66 114.40 1ugk n ARG 104 Ca 0.03 0.40 -0.01 0.00 -1.93 0.00 0.00 57.85 56.35 1ugk n ARG 104 Cb 0.46 -3.95 -0.01 0.00 -1.16 0.00 0.00 32.46 27.80 1ugk n ARG 104 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1ugk n ASP 105 N -2.63 -5.81 -3.94 0.55 9.92 -1.26 -4.93 116.55 108.46 1ugk n ASP 105 Ca -0.11 0.99 -0.29 0.00 -0.53 0.00 0.00 54.79 54.84 1ugk n ASP 105 Cb 0.59 -3.10 -0.12 0.00 -0.64 0.00 0.00 41.12 37.86 1ugk n ASP 105 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1ugk s ASP 106 N -0.73 4.81 -0.35 -2.24 1.01 -1.24 -5.01 116.67 112.92 1ugk s ASP 106 Ca -0.07 -3.61 -0.27 0.00 0.71 0.00 0.00 52.55 49.32 1ugk s ASP 106 Cb 0.00 -1.67 -0.06 0.00 1.01 0.00 0.00 42.92 42.21 1ugk s ASP 106 CO 0.33 -0.14 2.29 -0.63 0.21 0.00 0.00 175.17 177.23 1ugk s ILE 107 N -1.12 3.02 0.15 0.77 1.01 -1.26 -2.30 121.20 121.46 1ugk s ILE 107 Ca 0.23 0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.76 1ugk s ILE 107 Cb -0.11 -3.04 0.02 0.00 0.01 0.00 0.00 42.46 39.35 1ugk s ILE 107 CO -0.12 -0.03 1.66 0.40 0.00 0.00 0.00 174.94 176.86 1ugk h ILE 108 N 7.39 1.23 -3.21 2.92 2.04 0.23 -3.47 117.51 124.64 1ugk h ILE 108 Ca -0.33 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 64.69 1ugk h ILE 108 Cb 1.25 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 1ugk h ILE 108 CO 1.05 0.29 0.18 -0.83 0.00 0.00 0.00 178.15 178.84 1ugk s GLY 109 N -3.15 0.48 -0.01 5.37 0.00 -0.96 -4.88 107.32 104.17 1ugk s GLY 109 Ca -0.13 -0.81 0.04 0.00 0.00 0.00 0.00 44.72 43.82 1ugk s GLY 109 CO 0.78 -0.40 -0.14 -0.54 0.00 0.00 0.00 173.10 172.80 1ugk s GLU 110 N -2.74 1.16 0.01 2.90 2.02 -1.22 -2.15 118.70 118.68 1ugk s GLU 110 Ca 0.17 -0.52 0.02 0.00 0.02 0.00 0.00 54.97 54.66 1ugk s GLU 110 Cb -0.04 -1.12 -0.01 0.00 0.10 0.00 0.00 34.13 33.05 1ugk s GLU 110 CO 0.12 0.31 -0.06 0.08 0.02 0.00 0.00 175.26 175.73 1ugk s VAL 111 N -0.36 0.43 0.03 2.63 1.01 0.23 -4.31 120.40 120.06 1ugk s VAL 111 Ca 0.05 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1ugk s VAL 111 Cb -0.06 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 1ugk s VAL 111 CO -0.00 -0.08 -0.06 -0.22 0.00 0.00 0.00 175.10 174.73 1ugk s LEU 112 N -0.67 2.20 -0.32 3.92 2.96 -1.26 0.59 118.68 126.10 1ugk s LEU 112 Ca -0.03 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.45 1ugk s LEU 112 Cb -0.05 -0.12 0.14 0.00 0.50 0.00 0.00 46.19 46.65 1ugk s LEU 112 CO -0.00 -0.17 0.29 -0.51 -1.32 0.00 0.00 176.35 174.64 1ugk s ILE 113 N -1.12 -0.26 -0.16 6.68 1.10 0.33 -4.96 121.20 122.81 1ugk s ILE 113 Ca -0.09 -0.85 -0.29 0.00 -0.51 0.00 0.00 60.65 58.91 1ugk s ILE 113 Cb -0.08 -0.91 -0.02 0.00 0.15 0.00 0.00 42.46 41.60 1ugk s ILE 113 CO 0.00 -0.61 1.27 -2.16 -2.11 0.00 0.00 174.94 171.33 1ugk s PRO 114 N 1.86 4.23 0.00 3.50 0.04 -1.26 -1.86 135.00 141.51 1ugk s PRO 114 Ca 0.13 1.68 0.23 0.00 0.04 0.00 0.00 61.00 63.07 1ugk s PRO 114 Cb -0.16 -3.77 1.38 0.00 0.04 0.00 0.00 34.50 31.99 1ugk s PRO 114 CO -0.20 -0.71 1.81 1.28 0.04 0.00 0.00 177.00 179.22 1ugk n LEU 115 N 6.61 0.00 -4.56 -3.56 4.77 -1.18 -4.65 117.00 114.44 1ugk n LEU 115 Ca 0.14 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.86 1ugk n LEU 115 Cb 0.45 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 1ugk n LEU 115 CO 0.56 0.00 1.54 -0.55 -1.33 0.00 0.00 177.39 177.61 1ugk s SER 116 N -1.86 4.47 0.00 -1.43 0.15 -1.23 -0.62 113.70 113.18 1ugk s SER 116 Ca 0.35 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1ugk s SER 116 Cb 0.16 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 1ugk s SER 116 CO 0.27 -3.17 0.00 0.61 1.20 0.00 0.00 173.24 172.15 1ugk n GLY 117 N 6.41 1.59 3.77 9.45 0.00 -1.26 -5.04 105.19 120.11 1ugk n GLY 117 Ca 0.39 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 1ugk n GLY 117 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ugk s ILE 118 N -1.74 2.49 -0.05 -0.61 1.01 0.21 -5.02 121.20 117.50 1ugk s ILE 118 Ca 0.00 0.48 0.05 0.00 0.00 0.00 0.00 60.65 61.18 1ugk s ILE 118 Cb 0.00 -3.30 -0.00 0.00 0.01 0.00 0.00 42.46 39.16 1ugk s ILE 118 CO 0.00 0.11 -0.20 -1.83 0.00 0.00 0.00 174.94 173.02 1ugk s GLU 119 N -1.99 2.06 -0.07 2.79 4.04 -1.26 -4.83 118.70 119.45 1ugk s GLU 119 Ca 0.52 -0.71 0.10 0.00 0.04 0.00 0.00 54.97 54.92 1ugk s GLU 119 Cb -0.41 -1.76 0.15 0.00 0.02 0.00 0.00 34.13 32.13 1ugk s GLU 119 CO 0.55 0.28 1.07 1.28 -1.84 0.00 0.00 175.26 176.60 1ugk n LEU 120 N 3.12 2.11 -0.11 1.83 4.77 -1.26 -4.73 117.00 122.72 1ugk n LEU 120 Ca -0.18 -2.53 -0.05 0.00 -0.03 0.00 0.00 56.01 53.22 1ugk n LEU 120 Cb 0.53 -0.23 0.03 0.00 -2.33 0.00 0.00 43.42 41.41 1ugk n LEU 120 CO 0.25 0.60 0.91 -1.28 -1.33 0.00 0.00 177.39 176.54 1ugk h SER 121 N 0.00 0.02 -0.01 -1.43 0.87 -1.97 -2.32 113.55 108.72 1ugk h SER 121 Ca 0.00 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1ugk h SER 121 Cb 0.79 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.82 1ugk h SER 121 CO 0.00 0.05 -0.06 -0.33 -0.53 0.00 0.00 176.83 175.96 1ugk h GLU 122 N 0.21 -0.09 0.00 2.24 5.08 -2.02 -3.49 114.58 116.51 1ugk h GLU 122 Ca 0.18 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1ugk h GLU 122 Cb 0.21 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1ugk h GLU 122 CO -0.23 -0.06 0.00 0.41 -1.00 0.00 0.00 179.01 178.12 1ugk n GLY 123 N -1.18 -0.65 3.84 -3.84 0.00 -0.87 -5.13 105.19 97.36 1ugk n GLY 123 Ca -0.06 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 1ugk n GLY 123 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ugk s LYS 124 N -1.45 4.00 0.06 1.61 2.20 -1.26 -4.58 119.74 120.33 1ugk s LYS 124 Ca 0.00 0.55 0.04 0.00 -0.36 0.00 0.00 55.97 56.19 1ugk s LYS 124 Cb 0.00 -2.82 -0.03 0.00 -1.51 0.00 0.00 37.83 33.47 1ugk s LYS 124 CO 0.00 0.40 -0.11 0.00 -0.36 0.00 0.00 175.35 175.28 1ugk s MET 125 N -2.22 0.72 -0.09 4.03 0.23 -0.85 -4.98 119.30 116.14 1ugk s MET 125 Ca 0.42 -0.91 -0.09 0.00 -1.03 0.00 0.00 55.69 54.07 1ugk s MET 125 Cb -0.14 -0.59 -0.05 0.00 -1.53 0.00 0.00 34.83 32.52 1ugk s MET 125 CO 0.20 0.12 0.22 -1.17 -2.03 0.00 0.00 175.02 172.36 1ugk s LEU 126 N -1.79 4.41 0.01 0.18 1.98 -1.26 -1.83 118.68 120.39 1ugk s LEU 126 Ca -0.04 0.61 -0.05 0.00 -2.89 0.00 0.00 54.13 51.75 1ugk s LEU 126 Cb -0.09 -2.22 -0.01 0.00 0.66 0.00 0.00 46.19 44.53 1ugk s LEU 126 CO 0.01 0.37 0.09 -0.04 -1.89 0.00 0.00 176.35 174.90 1ugk s MET 127 N -0.98 0.48 0.02 1.98 -1.94 0.10 -4.98 119.30 113.97 1ugk s MET 127 Ca 0.17 -0.53 0.02 0.00 -1.71 0.00 0.00 55.69 53.64 1ugk s MET 127 Cb -0.13 0.19 -0.01 0.00 2.01 0.00 0.00 34.83 36.88 1ugk s MET 127 CO 0.07 -0.11 -0.07 0.54 -0.01 0.00 0.00 175.02 175.44 1ugk s ASN 128 N -1.59 0.78 0.03 3.03 4.22 -1.26 -1.17 114.94 118.98 1ugk s ASN 128 Ca -0.13 -0.30 0.03 0.00 -2.14 0.00 0.00 52.86 50.32 1ugk s ASN 128 Cb -0.06 -0.03 -0.02 0.00 1.28 0.00 0.00 41.25 42.42 1ugk s ASN 128 CO -0.00 -0.05 -0.10 -0.13 -2.04 0.00 0.00 177.10 174.78 1ugk s ARG 129 N -0.78 0.69 0.15 3.55 1.81 -0.45 -4.96 118.95 118.96 1ugk s ARG 129 Ca -0.03 -0.66 -0.19 0.00 -1.72 0.00 0.00 55.73 53.14 1ugk s ARG 129 Cb -0.06 -0.62 -0.07 0.00 -0.45 0.00 0.00 34.95 33.75 1ugk s ARG 129 CO 0.00 0.15 0.64 -1.83 -0.68 0.00 0.00 175.30 173.58 1ugk s GLU 130 N -1.12 4.20 -0.27 3.54 -1.05 -1.26 -0.42 118.70 122.33 1ugk s GLU 130 Ca -0.02 0.77 -0.10 0.00 -0.15 0.00 0.00 54.97 55.46 1ugk s GLU 130 Cb -0.08 -3.04 -0.04 0.00 -0.44 0.00 0.00 34.13 30.53 1ugk s GLU 130 CO 0.01 0.51 0.16 0.42 0.95 0.00 0.00 175.26 177.30 1ugk s ILE 131 N -1.34 5.05 0.10 1.83 1.01 0.31 -4.85 121.20 123.31 1ugk s ILE 131 Ca 0.37 0.08 0.01 0.00 0.00 0.00 0.00 60.65 61.11 1ugk s ILE 131 Cb -0.18 -3.40 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 1ugk s ILE 131 CO 0.21 0.28 0.05 2.30 0.00 0.00 0.00 174.94 177.78 1ugk n ILE 132 N 4.99 0.00 -2.56 2.92 -6.64 -1.26 -2.36 119.36 114.44 1ugk n ILE 132 Ca -0.15 -0.65 -0.43 0.00 -1.77 0.00 0.00 62.75 59.75 1ugk n ILE 132 Cb 0.52 0.27 0.00 0.00 -1.44 0.00 0.00 39.64 38.99 1ugk n ILE 132 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 1ugk n SER 133 N -2.21 4.99 -1.19 7.28 2.88 -1.26 -3.46 113.62 120.65 1ugk n SER 133 Ca -0.00 -3.00 0.09 0.00 -1.33 0.00 0.00 58.87 54.63 1ugk n SER 133 Cb 0.17 -1.58 -0.05 0.00 -0.75 0.00 0.00 64.21 62.00 1ugk n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugk n GLY 134 N 3.88 -3.47 3.73 0.46 0.00 -1.26 -4.82 105.19 103.71 1ugk n GLY 134 Ca 0.41 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 1ugk n GLY 134 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugk s PRO 135 N -4.47 4.52 -1.28 1.61 0.04 -1.26 -4.95 135.00 129.21 1ugk s PRO 135 Ca 0.00 1.73 -0.15 0.00 0.04 0.00 0.00 61.00 62.62 1ugk s PRO 135 Cb 0.00 -3.31 0.12 0.00 0.04 0.00 0.00 34.50 31.34 1ugk s PRO 135 CO 0.00 -0.08 1.69 0.45 0.04 0.00 0.00 177.00 179.10 1ugk n SER 136 N 3.09 4.96 -4.75 6.66 2.88 -1.26 -4.97 113.62 120.23 1ugk n SER 136 Ca 0.05 -2.96 -0.40 0.00 -1.33 0.00 0.00 58.87 54.24 1ugk n SER 136 Cb 0.46 -1.64 -0.05 0.00 -0.75 0.00 0.00 64.21 62.23 1ugk n SER 136 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ugk s SER 137 N 3.21 7.47 0.00 -3.46 0.15 -1.26 -5.29 113.70 114.52 1ugk s SER 137 Ca 0.47 2.08 0.00 0.00 0.70 0.00 0.00 55.95 59.20 1ugk s SER 137 Cb 0.03 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1ugk s SER 137 CO 0.02 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.09