#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 -5.15 -4.91 1.61 7.64 -1.26 -5.00 113.62 106.55 1ugk n SER 2 Ca 0.00 1.40 -0.27 0.00 1.01 0.00 0.00 58.87 61.01 1ugk n SER 2 Cb 0.00 -5.30 0.04 0.00 -1.01 0.00 0.00 64.21 57.94 1ugk n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ugk s SER 3 N -1.27 5.39 0.00 6.43 0.01 -1.26 -4.96 113.70 118.04 1ugk s SER 3 Ca -0.11 0.78 0.00 0.00 1.31 0.00 0.00 55.95 57.94 1ugk s SER 3 Cb 0.01 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.58 1ugk s SER 3 CO 0.79 -1.25 0.00 0.61 0.41 0.00 0.00 173.24 173.80 1ugk n GLY 4 N -2.78 -0.46 3.29 3.44 0.00 -1.26 -5.12 105.19 102.30 1ugk n GLY 4 Ca 0.06 -1.33 -0.16 0.00 0.00 0.00 0.00 46.02 44.59 1ugk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ugk s SER 5 N -0.86 0.99 -0.02 1.61 1.04 -1.26 -5.10 113.70 110.10 1ugk s SER 5 Ca 0.00 -1.42 -0.07 0.00 0.48 0.00 0.00 55.95 54.94 1ugk s SER 5 Cb 0.00 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 1ugk s SER 5 CO 0.00 -0.79 -0.14 -0.24 0.98 0.00 0.00 173.24 173.05 1ugk n SER 6 N -0.52 1.28 -3.65 7.02 2.88 -1.26 -5.11 113.62 114.27 1ugk n SER 6 Ca 0.01 0.19 0.01 0.00 -1.33 0.00 0.00 58.87 57.75 1ugk n SER 6 Cb 0.66 -0.48 -0.06 0.00 -0.75 0.00 0.00 64.21 63.58 1ugk n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ugk s GLY 7 N -4.21 0.58 0.00 0.46 0.00 -1.26 -5.14 107.32 97.75 1ugk s GLY 7 Ca -0.11 3.78 0.00 0.00 0.00 0.00 0.00 44.72 48.39 1ugk s GLY 7 CO 0.17 2.59 0.00 1.04 0.00 0.00 0.00 173.10 176.90 1ugk n LEU 8 N 2.76 0.00 0.00 0.66 4.77 -1.25 -4.94 117.00 119.00 1ugk n LEU 8 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1ugk n LEU 8 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1ugk n LEU 8 CO 0.05 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 1ugk n GLY 9 N 3.90 2.19 3.43 -0.72 0.00 0.32 -4.29 105.19 110.02 1ugk n GLY 9 Ca 0.00 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.00 1.88 -0.02 2.61 2.01 0.43 0.18 115.64 119.73 1ugk s THR 10 Ca 0.00 -2.20 0.06 0.00 0.31 0.00 0.00 61.69 59.86 1ugk s THR 10 Cb 0.00 -2.36 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 1ugk s THR 10 CO 0.00 -0.37 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.14 1ugk s LEU 11 N -3.45 2.03 0.01 4.42 2.96 0.33 -1.90 118.68 123.08 1ugk s LEU 11 Ca 0.28 -0.36 0.07 0.00 -0.22 0.00 0.00 54.13 53.90 1ugk s LEU 11 Cb 0.01 -1.03 -0.02 0.00 0.50 0.00 0.00 46.19 45.65 1ugk s LEU 11 CO 0.12 0.24 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.80 1ugk s PHE 12 N -0.41 1.97 -0.13 5.38 0.08 -0.84 -0.18 117.98 123.85 1ugk s PHE 12 Ca 0.06 -0.38 -0.31 0.00 0.12 0.00 0.00 56.93 56.42 1ugk s PHE 12 Cb -0.08 -1.23 0.13 0.00 -0.57 0.00 0.00 43.02 41.27 1ugk s PHE 12 CO -0.00 0.02 1.06 -0.59 -0.10 0.00 0.00 175.22 175.61 1ugk s PHE 13 N -0.63 -0.25 -0.06 0.36 -0.71 -0.13 -1.85 117.98 114.71 1ugk s PHE 13 Ca 0.09 0.26 0.02 0.00 -1.04 0.00 0.00 56.93 56.26 1ugk s PHE 13 Cb -0.09 0.50 0.01 0.00 -1.21 0.00 0.00 43.02 42.24 1ugk s PHE 13 CO 0.00 -0.34 -0.11 0.45 -1.34 0.00 0.00 175.22 173.89 1ugk s SER 14 N -1.92 1.60 0.13 1.98 0.15 -1.02 0.22 113.70 114.84 1ugk s SER 14 Ca 0.05 -0.26 -0.14 0.00 0.70 0.00 0.00 55.95 56.30 1ugk s SER 14 Cb -0.01 -0.74 -0.07 0.00 -1.71 0.00 0.00 66.02 63.49 1ugk s SER 14 CO -0.05 0.02 0.52 -0.76 1.20 0.00 0.00 173.24 174.17 1ugk s LEU 15 N 0.70 4.35 -0.18 3.45 1.43 -0.88 -2.13 118.68 125.41 1ugk s LEU 15 Ca -0.14 1.03 -0.16 0.00 -1.03 0.00 0.00 54.13 53.83 1ugk s LEU 15 Cb -0.15 -3.20 0.05 0.00 0.03 0.00 0.00 46.19 42.91 1ugk s LEU 15 CO 0.03 0.12 0.47 -0.70 0.23 0.00 0.00 176.35 176.50 1ugk s GLU 16 N -1.92 0.54 -0.14 1.70 2.56 0.69 -2.31 118.70 119.83 1ugk s GLU 16 Ca 0.37 0.66 0.02 0.00 0.00 0.00 0.00 54.97 56.01 1ugk s GLU 16 Cb -0.15 0.25 0.00 0.00 2.00 0.00 0.00 34.13 36.23 1ugk s GLU 16 CO 0.19 -0.07 -0.19 -0.47 -0.56 0.00 0.00 175.26 174.16 1ugk s TYR 17 N 0.32 2.70 -0.99 5.30 5.04 -1.26 0.12 117.35 128.58 1ugk s TYR 17 Ca -0.01 -1.09 -0.07 0.00 -2.44 0.00 0.00 57.07 53.46 1ugk s TYR 17 Cb -0.04 -1.83 -0.08 0.00 0.35 0.00 0.00 41.96 40.37 1ugk s TYR 17 CO -0.00 -0.48 2.40 -1.71 -1.34 0.00 0.00 175.55 174.42 1ugk n ASN 18 N 3.90 5.78 -0.28 4.32 2.85 0.39 -4.67 115.26 127.56 1ugk n ASN 18 Ca -0.19 -2.37 0.11 0.00 -0.11 0.00 0.00 54.58 52.02 1ugk n ASN 18 Cb 0.52 -1.20 0.21 0.00 1.24 0.00 0.00 39.78 40.55 1ugk n ASN 18 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1ugk n PHE 19 N 3.84 0.47 -0.23 1.20 3.72 -1.26 0.22 117.46 125.43 1ugk n PHE 19 Ca 0.52 0.96 0.03 0.00 -0.05 0.00 0.00 57.45 58.90 1ugk n PHE 19 Cb 0.22 -1.07 0.12 0.00 -0.94 0.00 0.00 39.48 37.81 1ugk n PHE 19 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1ugk h GLU 20 N 0.00 0.10 -0.29 -1.08 4.57 -1.96 0.48 114.58 116.39 1ugk h GLU 20 Ca 0.46 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.60 1ugk h GLU 20 Cb 0.93 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.48 1ugk h GLU 20 CO -0.75 0.06 0.00 0.54 -1.18 0.00 0.00 179.01 177.68 1ugk n ARG 21 N -5.33 2.80 -3.50 1.92 1.74 0.54 -4.99 116.66 109.84 1ugk n ARG 21 Ca 0.11 -2.90 -0.22 0.00 -0.77 0.00 0.00 57.85 54.07 1ugk n ARG 21 Cb 0.40 -1.86 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 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 -0.59 -1.30 -4.10 5.56 4.01 0.60 -4.81 118.16 117.55 1ugk n LYS 22 Ca 0.24 0.67 -0.11 0.00 -0.51 0.00 0.00 58.31 58.60 1ugk n LYS 22 Cb 0.94 -1.77 -0.11 0.00 -0.51 0.00 0.00 35.03 33.58 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 -2.61 0.66 -0.21 7.82 0.00 -1.02 -3.86 121.76 122.54 1ugk s ALA 23 Ca 0.04 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.85 1ugk s ALA 23 Cb -0.00 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 1ugk s ALA 23 CO 0.73 -0.17 0.17 0.12 0.00 0.00 0.00 175.76 176.60 1ugk s PHE 24 N -2.65 3.38 -0.22 0.00 5.36 -1.26 0.15 117.98 122.74 1ugk s PHE 24 Ca 0.00 0.33 0.01 0.00 -0.96 0.00 0.00 56.93 56.32 1ugk s PHE 24 Cb -0.01 -2.23 0.05 0.00 -0.34 0.00 0.00 43.02 40.49 1ugk s PHE 24 CO -0.03 0.19 -0.08 0.08 -1.46 0.00 0.00 175.22 173.92 1ugk s VAL 25 N 0.66 1.65 -0.59 3.12 1.01 0.32 -2.87 120.40 123.70 1ugk s VAL 25 Ca 0.09 -1.17 -0.06 0.00 0.00 0.00 0.00 61.98 60.83 1ugk s VAL 25 Cb -0.12 -1.81 0.15 0.00 0.00 0.00 0.00 36.38 34.60 1ugk s VAL 25 CO 0.01 0.02 0.44 -0.69 0.00 0.00 0.00 175.10 174.88 1ugk s VAL 26 N 1.36 4.10 0.04 2.92 1.01 -1.01 -0.22 120.40 128.60 1ugk s VAL 26 Ca -0.04 -2.45 -0.30 0.00 0.00 0.00 0.00 61.98 59.19 1ugk s VAL 26 Cb -0.18 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1ugk s VAL 26 CO -0.07 -0.85 1.00 0.21 0.00 0.00 0.00 175.10 175.39 1ugk s ASN 27 N 1.62 7.37 -0.45 3.32 3.84 -0.91 -3.61 114.94 126.13 1ugk s ASN 27 Ca 0.13 1.74 -0.09 0.00 0.21 0.00 0.00 52.86 54.85 1ugk s ASN 27 Cb -0.21 -2.58 0.11 0.00 -0.55 0.00 0.00 41.25 38.02 1ugk s ASN 27 CO -0.04 -0.23 0.31 -0.63 -2.79 0.00 0.00 177.10 173.72 1ugk s ILE 28 N 0.72 4.12 0.00 -5.21 1.01 -0.21 -2.44 121.20 119.19 1ugk s ILE 28 Ca 0.51 -1.70 0.00 0.00 0.00 0.00 0.00 60.65 59.46 1ugk s ILE 28 Cb -0.23 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.58 1ugk s ILE 28 CO 0.29 -0.69 0.00 1.17 0.00 0.00 0.00 174.94 175.71 1ugk n LYS 29 N 4.88 2.44 -4.18 2.79 4.81 -0.77 0.41 118.16 128.55 1ugk n LYS 29 Ca -0.08 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.10 1ugk n LYS 29 Cb 0.41 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.40 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 2.22 -0.03 1.64 -1.05 -1.23 -1.63 118.70 118.62 1ugk s GLU 30 Ca 0.00 -1.94 0.05 0.00 -0.15 0.00 0.00 54.97 52.93 1ugk s GLU 30 Cb 0.00 -1.94 -0.01 0.00 -0.44 0.00 0.00 34.13 31.74 1ugk s GLU 30 CO 0.00 -0.22 -0.18 0.00 0.95 0.00 0.00 175.26 175.80 1ugk s ALA 31 N -2.66 1.57 -0.04 -0.84 0.00 -0.65 -1.99 121.76 117.14 1ugk s ALA 31 Ca 0.36 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.58 1ugk s ALA 31 Cb 0.03 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.69 1ugk s ALA 31 CO 0.20 0.33 -0.10 1.03 0.00 0.00 0.00 175.76 177.22 1ugk s ARG 32 N -0.19 1.21 0.00 0.00 1.81 -0.80 -3.50 118.95 117.48 1ugk s ARG 32 Ca 0.01 -0.34 0.00 0.00 -1.72 0.00 0.00 55.73 53.68 1ugk s ARG 32 Cb -0.10 -1.08 0.00 0.00 -0.45 0.00 0.00 34.95 33.32 1ugk s ARG 32 CO 0.01 0.09 0.00 0.41 -0.68 0.00 0.00 175.30 175.13 1ugk n GLY 33 N 3.47 0.94 3.50 -3.53 0.00 -1.26 0.16 105.19 108.46 1ugk n GLY 33 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 4.52 -0.00 0.99 1.43 -1.25 -0.52 118.68 123.85 1ugk s LEU 34 Ca 0.00 -0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 52.27 1ugk s LEU 34 Cb 0.00 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1ugk s LEU 34 CO 0.00 -0.26 1.20 -2.16 0.23 0.00 0.00 176.35 175.36 1ugk s PRO 35 N 1.69 4.39 0.39 1.29 0.04 -1.26 -4.80 135.00 136.73 1ugk s PRO 35 Ca 0.05 1.71 -0.23 0.00 0.04 0.00 0.00 61.00 62.57 1ugk s PRO 35 Cb -0.18 -3.47 -0.13 0.00 0.04 0.00 0.00 34.50 30.77 1ugk s PRO 35 CO 0.09 -0.36 0.60 0.00 0.04 0.00 0.00 177.00 177.38 1ugk n ALA 36 N 4.63 -1.42 -0.12 8.56 0.00 -1.26 -4.93 120.51 125.96 1ugk n ALA 36 Ca 0.10 0.21 -0.24 0.00 0.00 0.00 0.00 53.44 53.51 1ugk n ALA 36 Cb 0.46 -1.79 -0.09 0.00 0.00 0.00 0.00 19.45 18.03 1ugk n ALA 36 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ugk n MET 37 N 0.63 0.53 -3.22 0.00 2.81 -1.26 -5.01 117.12 111.60 1ugk n MET 37 Ca 0.12 0.20 -0.22 0.00 -1.81 0.00 0.00 57.70 55.99 1ugk n MET 37 Cb 0.38 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 1ugk n MET 37 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1ugk s ASP 38 N -6.95 5.98 -0.66 7.83 1.11 -1.26 -5.04 116.67 117.68 1ugk s ASP 38 Ca -0.33 0.21 0.05 0.00 0.18 0.00 0.00 52.55 52.65 1ugk s ASP 38 Cb 0.12 -1.59 0.30 0.00 1.07 0.00 0.00 42.92 42.82 1ugk s ASP 38 CO 0.45 -0.53 0.95 -0.62 1.18 0.00 0.00 175.17 176.60 1ugk n GLU 39 N -1.89 3.16 0.00 8.23 -0.58 -1.26 -4.42 120.64 123.88 1ugk n GLU 39 Ca -0.01 -4.77 -0.01 0.00 -0.42 0.00 0.00 57.16 51.96 1ugk n GLU 39 Cb 0.57 -2.27 -0.00 0.00 -0.57 0.00 0.00 31.44 29.17 1ugk n GLU 39 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1ugk n GLN 40 N 0.27 0.05 -0.05 3.49 6.02 -1.26 -4.86 117.38 121.03 1ugk n GLN 40 Ca 0.31 0.02 0.05 0.00 -0.01 0.00 0.00 57.00 57.37 1ugk n GLN 40 Cb 0.39 -0.34 0.07 0.00 1.02 0.00 0.00 30.24 31.38 1ugk n GLN 40 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1ugk n SER 41 N -2.86 2.03 -2.72 1.08 3.41 -1.26 -4.99 113.62 108.31 1ugk n SER 41 Ca -0.01 -2.50 -0.12 0.00 -0.26 0.00 0.00 58.87 55.99 1ugk n SER 41 Cb 0.05 -0.22 0.06 0.00 -0.26 0.00 0.00 64.21 63.84 1ugk n SER 41 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1ugk n MET 42 N -0.92 -3.72 -3.84 4.33 1.56 -1.26 -5.02 117.12 108.24 1ugk n MET 42 Ca 0.08 0.60 -0.06 0.00 -0.27 0.00 0.00 57.70 58.05 1ugk n MET 42 Cb 0.46 -4.77 0.02 0.00 2.15 0.00 0.00 33.22 31.08 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 -3.26 0.00 0.26 1.12 -1.32 -1.26 -4.94 115.64 106.23 1ugk s THR 43 Ca 0.10 -0.82 -0.21 0.00 -1.21 0.00 0.00 61.69 59.55 1ugk s THR 43 Cb -0.01 -2.95 0.06 0.00 -1.51 0.00 0.00 72.50 68.08 1ugk s THR 43 CO 0.52 0.00 0.89 -0.44 -2.21 0.00 0.00 174.62 173.38 1ugk s SER 44 N -3.24 -0.08 -0.65 8.08 0.01 -1.26 -4.19 113.70 112.37 1ugk s SER 44 Ca 0.19 -0.75 0.06 0.00 1.31 0.00 0.00 55.95 56.75 1ugk s SER 44 Cb -0.04 0.64 0.22 0.00 0.21 0.00 0.00 66.02 67.06 1ugk s SER 44 CO 0.09 -1.25 0.66 -0.90 0.41 0.00 0.00 173.24 172.25 1ugk n ASP 45 N -0.98 3.40 -4.80 2.44 5.75 -1.26 -1.26 116.55 119.83 1ugk n ASP 45 Ca -0.06 -3.34 -0.30 0.00 -0.01 0.00 0.00 54.79 51.09 1ugk n ASP 45 Cb 0.60 -0.70 0.11 0.00 -1.03 0.00 0.00 41.12 40.10 1ugk n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1ugk s PRO 46 N -2.09 1.77 -0.27 0.11 0.04 -1.26 -3.52 135.00 129.76 1ugk s PRO 46 Ca 0.35 0.52 -0.25 0.00 0.04 0.00 0.00 61.00 61.66 1ugk s PRO 46 Cb 0.09 -1.89 0.09 0.00 0.04 0.00 0.00 34.50 32.82 1ugk s PRO 46 CO -0.07 -1.82 0.83 1.52 0.04 0.00 0.00 177.00 177.50 1ugk s TYR 47 N -3.20 -0.69 -0.04 0.56 1.13 0.09 -4.21 117.35 110.99 1ugk s TYR 47 Ca 0.62 1.66 -0.17 0.00 -1.41 0.00 0.00 57.07 57.77 1ugk s TYR 47 Cb -0.15 0.31 -0.05 0.00 -1.10 0.00 0.00 41.96 40.97 1ugk s TYR 47 CO 0.54 -0.33 0.47 0.42 -2.51 0.00 0.00 175.55 174.14 1ugk s ILE 48 N 0.37 5.04 -0.21 -3.49 1.01 -1.26 -2.62 121.20 120.04 1ugk s ILE 48 Ca 0.01 0.97 -0.06 0.00 0.00 0.00 0.00 60.65 61.57 1ugk s ILE 48 Cb -0.05 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1ugk s ILE 48 CO -0.02 0.46 0.04 -0.54 0.00 0.00 0.00 174.94 174.88 1ugk s LYS 49 N -0.32 3.73 0.13 2.79 1.02 -1.05 -2.82 119.74 123.22 1ugk s LYS 49 Ca 0.26 -0.46 -0.04 0.00 0.02 0.00 0.00 55.97 55.75 1ugk s LYS 49 Cb -0.17 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 33.91 1ugk s LYS 49 CO 0.13 0.03 0.35 1.41 -0.92 0.00 0.00 175.35 176.36 1ugk s MET 50 N 0.99 3.59 -0.23 1.68 1.75 0.89 -2.47 119.30 125.49 1ugk s MET 50 Ca 0.03 -0.15 -0.13 0.00 -1.25 0.00 0.00 55.69 54.19 1ugk s MET 50 Cb -0.14 -2.88 0.07 0.00 2.84 0.00 0.00 34.83 34.73 1ugk s MET 50 CO 0.02 0.49 0.57 0.99 -0.65 0.00 0.00 175.02 176.44 1ugk s THR 51 N -1.64 -0.07 -0.96 10.11 2.01 -1.22 -2.67 115.64 121.20 1ugk s THR 51 Ca 0.40 0.04 -0.20 0.00 0.31 0.00 0.00 61.69 62.24 1ugk s THR 51 Cb -0.12 -0.83 0.10 0.00 0.01 0.00 0.00 72.50 71.66 1ugk s THR 51 CO 0.25 0.02 1.23 -0.63 -0.69 0.00 0.00 174.62 174.80 1ugk s ILE 52 N 1.63 4.47 0.51 1.82 1.01 -1.22 -2.03 121.20 127.39 1ugk s ILE 52 Ca -0.09 -1.30 -0.11 0.00 0.00 0.00 0.00 60.65 59.14 1ugk s ILE 52 Cb -0.07 -4.87 -0.06 0.00 0.01 0.00 0.00 42.46 37.48 1ugk s ILE 52 CO -0.17 -1.65 0.91 -0.76 0.00 0.00 0.00 174.94 173.28 1ugk s LEU 53 N 3.43 3.56 0.43 2.97 2.01 0.56 0.22 118.68 131.86 1ugk s LEU 53 Ca 0.37 1.31 0.24 0.00 0.01 0.00 0.00 54.13 56.05 1ugk s LEU 53 Cb -0.03 -4.27 0.68 0.00 0.01 0.00 0.00 46.19 42.58 1ugk s LEU 53 CO -0.09 -0.62 1.72 1.55 1.01 0.00 0.00 176.35 179.92 1ugk h PRO 54 N 0.52 0.00 -0.11 1.29 0.13 -1.82 0.72 132.00 132.72 1ugk h PRO 54 Ca -0.46 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1ugk h PRO 54 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1ugk h PRO 54 CO 0.62 0.19 -0.07 0.39 -0.23 0.00 0.00 178.00 178.91 1ugk n GLU 55 N -3.24 -0.05 -0.93 0.86 4.71 -0.94 -4.70 120.64 116.37 1ugk n GLU 55 Ca 0.01 0.46 0.00 0.00 -0.01 0.00 0.00 57.16 57.62 1ugk n GLU 55 Cb 0.50 -0.68 0.00 0.00 -1.01 0.00 0.00 31.44 30.24 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 -2.99 -0.19 0.00 3.49 4.81 0.61 -4.92 118.16 118.96 1ugk n LYS 56 Ca 0.00 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1ugk n LYS 56 Cb 0.03 -3.18 0.00 0.00 0.02 0.00 0.00 35.03 31.90 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 -2.01 0.00 -1.53 1.64 4.76 -1.26 -4.48 118.16 115.28 1ugk n LYS 57 Ca 0.00 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.20 1ugk n LYS 57 Cb 0.05 -0.49 -0.12 0.00 -1.84 0.00 0.00 35.03 32.62 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 -0.25 0.76 -4.01 2.13 8.25 -1.26 -4.86 115.22 115.99 1ugk n HIS 58 Ca 0.00 0.07 -0.35 0.00 -0.26 0.00 0.00 57.72 57.17 1ugk n HIS 58 Cb 0.00 -1.93 -0.11 0.00 1.12 0.00 0.00 29.99 29.06 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 8.24 3.78 0.05 -0.41 1.02 -1.26 -3.39 119.74 127.76 1ugk s LYS 59 Ca 1.12 -0.44 0.04 0.00 0.02 0.00 0.00 55.97 56.72 1ugk s LYS 59 Cb -0.52 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 33.59 1ugk s LYS 59 CO 0.32 0.09 -0.12 0.14 -0.92 0.00 0.00 175.35 174.86 1ugk s VAL 60 N 0.84 0.97 0.12 3.17 -7.23 -1.09 -5.03 120.40 112.15 1ugk s VAL 60 Ca 0.02 -1.09 0.06 0.00 -1.81 0.00 0.00 61.98 59.16 1ugk s VAL 60 Cb -0.14 -0.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.84 1ugk s VAL 60 CO 0.02 -0.15 -0.13 -1.59 -0.31 0.00 0.00 175.10 172.94 1ugk s LYS 61 N -1.39 1.02 0.47 4.82 -2.85 -1.26 -0.08 119.74 120.47 1ugk s LYS 61 Ca -0.02 -1.25 -0.04 0.00 -1.00 0.00 0.00 55.97 53.65 1ugk s LYS 61 Cb -0.09 -0.86 -0.03 0.00 -2.06 0.00 0.00 37.83 34.79 1ugk s LYS 61 CO 0.01 0.16 0.76 0.95 0.10 0.00 0.00 175.35 177.33 1ugk s THR 62 N -2.26 4.81 0.13 3.79 -4.23 -1.13 -4.99 115.64 111.77 1ugk s THR 62 Ca 0.09 0.07 -0.32 0.00 -1.18 0.00 0.00 61.69 60.35 1ugk s THR 62 Cb -0.04 -3.82 -0.12 0.00 1.34 0.00 0.00 72.50 69.86 1ugk s THR 62 CO 0.03 -0.77 1.74 -2.11 -0.54 0.00 0.00 174.62 172.98 1ugk n ARG 63 N -2.22 2.55 -2.41 3.99 1.85 -1.26 -4.81 116.66 114.36 1ugk n ARG 63 Ca 0.00 0.93 -0.38 0.00 -1.00 0.00 0.00 57.85 57.40 1ugk n ARG 63 Cb 0.56 -2.77 -0.03 0.00 -1.05 0.00 0.00 32.46 29.16 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 1.98 3.75 0.97 8.89 1.01 -1.26 -4.91 120.40 130.82 1ugk s VAL 64 Ca 0.80 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 62.24 1ugk s VAL 64 Cb -0.56 -4.73 0.17 0.00 0.00 0.00 0.00 36.38 31.27 1ugk s VAL 64 CO 0.38 -1.63 1.10 -0.76 0.00 0.00 0.00 175.10 174.18 1ugk s LEU 65 N 6.53 2.24 -0.09 3.92 1.43 -1.26 -5.02 118.68 126.43 1ugk s LEU 65 Ca 0.51 1.89 0.02 0.00 -1.03 0.00 0.00 54.13 55.53 1ugk s LEU 65 Cb -0.04 -4.17 -0.01 0.00 0.03 0.00 0.00 46.19 42.00 1ugk s LEU 65 CO -0.02 -3.26 -0.17 -0.13 0.23 0.00 0.00 176.35 172.99 1ugk s ARG 66 N -4.65 2.99 -0.29 1.70 1.81 -1.26 -4.32 118.95 114.92 1ugk s ARG 66 Ca 0.66 -0.76 -0.15 0.00 -1.72 0.00 0.00 55.73 53.76 1ugk s ARG 66 Cb -0.22 -2.44 0.02 0.00 -0.45 0.00 0.00 34.95 31.86 1ugk s ARG 66 CO 0.59 0.33 0.33 1.63 -0.68 0.00 0.00 175.30 177.50 1ugk n LYS 67 N 3.15 -1.87 -3.15 3.54 4.76 -1.19 -4.97 118.16 118.43 1ugk n LYS 67 Ca -0.18 1.66 0.06 0.00 -2.87 0.00 0.00 58.31 56.98 1ugk n LYS 67 Cb 0.52 -3.17 -0.01 0.00 -1.84 0.00 0.00 35.03 30.54 1ugk n LYS 67 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1ugk s THR 68 N -1.60 -0.17 0.38 -0.18 -1.32 -0.39 -4.90 115.64 107.45 1ugk s THR 68 Ca 0.17 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.78 1ugk s THR 68 Cb -0.03 -0.52 0.11 0.00 -1.51 0.00 0.00 72.50 70.55 1ugk s THR 68 CO 0.59 0.00 1.85 -0.07 -2.21 0.00 0.00 174.62 174.77 1ugk h LEU 69 N 7.52 0.00 -7.17 9.08 -0.00 -1.87 -3.31 115.31 119.55 1ugk h LEU 69 Ca -0.11 0.00 -0.65 0.00 -0.00 0.00 0.00 57.88 57.13 1ugk h LEU 69 Cb 1.17 0.00 -0.40 0.00 -0.00 0.00 0.00 40.66 41.44 1ugk h LEU 69 CO -0.15 0.35 -0.43 -0.62 -0.00 0.00 0.00 178.44 177.59 1ugk s ASP 70 N -6.91 5.18 0.30 -0.43 2.15 -1.26 -3.84 116.67 111.85 1ugk s ASP 70 Ca -0.03 -3.77 -0.28 0.00 0.43 0.00 0.00 52.55 48.89 1ugk s ASP 70 Cb 0.14 -1.72 -0.09 0.00 -0.30 0.00 0.00 42.92 40.95 1ugk s ASP 70 CO 0.72 -0.12 1.08 -2.16 -0.17 0.00 0.00 175.17 174.51 1ugk s PRO 71 N -1.37 4.56 -0.44 4.34 0.04 -1.23 -4.85 135.00 136.05 1ugk s PRO 71 Ca 0.25 1.72 0.04 0.00 0.04 0.00 0.00 61.00 63.05 1ugk s PRO 71 Cb -0.06 -3.06 0.12 0.00 0.04 0.00 0.00 34.50 31.53 1ugk s PRO 71 CO -0.15 0.17 0.18 0.00 0.04 0.00 0.00 177.00 177.24 1ugk s ALA 72 N -1.27 2.99 -0.06 8.56 0.00 -1.26 -1.64 121.76 129.09 1ugk s ALA 72 Ca 0.47 -2.90 -0.21 0.00 0.00 0.00 0.00 51.96 49.31 1ugk s ALA 72 Cb -0.29 -2.05 -0.30 0.00 0.00 0.00 0.00 23.12 20.47 1ugk s ALA 72 CO 0.38 -1.90 0.82 0.74 0.00 0.00 0.00 175.76 175.80 1ugk h PHE 73 N 6.95 0.51 -6.79 0.00 0.04 -1.76 -3.47 116.94 112.41 1ugk h PHE 73 Ca -0.06 -0.37 -0.56 0.00 2.80 0.00 0.00 57.97 59.78 1ugk h PHE 73 Cb 0.94 -0.02 -0.28 0.00 2.20 0.00 0.00 35.95 38.79 1ugk h PHE 73 CO 0.49 1.35 -0.83 -0.25 -0.60 0.00 0.00 178.31 178.47 1ugk n ASP 74 N -4.10 -0.59 -4.61 2.17 9.92 0.17 -4.88 116.55 114.63 1ugk n ASP 74 Ca -0.16 -1.12 -0.24 0.00 -0.53 0.00 0.00 54.79 52.74 1ugk n ASP 74 Cb 0.83 -1.42 0.12 0.00 -0.64 0.00 0.00 41.12 40.01 1ugk n ASP 74 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1ugk s GLU 75 N -6.70 1.51 0.01 -1.24 2.02 -0.66 -4.82 118.70 108.81 1ugk s GLU 75 Ca 0.43 -1.14 -0.05 0.00 0.02 0.00 0.00 54.97 54.23 1ugk s GLU 75 Cb -0.25 -2.29 -0.00 0.00 0.10 0.00 0.00 34.13 31.68 1ugk s GLU 75 CO 0.90 -1.59 0.09 0.99 0.02 0.00 0.00 175.26 175.67 1ugk s THR 76 N -3.22 0.09 -0.01 3.63 2.01 -1.26 -1.05 115.64 115.83 1ugk s THR 76 Ca 0.68 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.92 1ugk s THR 76 Cb -0.04 -0.38 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1ugk s THR 76 CO 0.45 -0.41 0.03 -0.36 -0.69 0.00 0.00 174.62 173.65 1ugk s PHE 77 N -1.39 -0.03 -0.10 4.92 0.08 -1.24 -5.00 117.98 115.23 1ugk s PHE 77 Ca -0.15 0.09 0.02 0.00 0.12 0.00 0.00 56.93 57.01 1ugk s PHE 77 Cb -0.08 0.00 0.01 0.00 -0.57 0.00 0.00 43.02 42.38 1ugk s PHE 77 CO 0.01 -0.02 -0.17 0.99 -0.10 0.00 0.00 175.22 175.93 1ugk s THR 78 N 0.06 1.57 -0.30 0.64 2.01 -1.26 -2.40 115.64 115.96 1ugk s THR 78 Ca -0.00 -0.71 0.08 0.00 0.31 0.00 0.00 61.69 61.37 1ugk s THR 78 Cb -0.01 -1.41 -0.10 0.00 0.01 0.00 0.00 72.50 70.99 1ugk s THR 78 CO -0.00 0.45 0.32 0.49 -0.69 0.00 0.00 174.62 175.19 1ugk n PHE 79 N 3.92 0.00 -1.00 4.92 3.72 -1.14 -5.01 117.46 122.86 1ugk n PHE 79 Ca -0.20 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.20 1ugk n PHE 79 Cb 0.52 -0.05 -0.00 0.00 -0.94 0.00 0.00 39.48 39.01 1ugk n PHE 79 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1ugk n TYR 80 N -1.35 -1.37 0.00 1.38 4.01 -1.26 -4.60 117.16 113.97 1ugk n TYR 80 Ca 0.01 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1ugk n TYR 80 Cb 0.15 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 1ugk n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ugk n GLY 81 N -0.18 0.89 2.24 2.72 0.00 -1.25 -4.65 105.19 104.95 1ugk n GLY 81 Ca 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 0.84 -0.61 -0.00 -1.26 -4.67 119.36 113.66 1ugk n ILE 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1ugk n ILE 82 Cb 0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 39.64 39.31 1ugk n ILE 82 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 1ugk n PRO 83 N 4.13 0.75 0.00 0.38 -0.04 -1.26 -4.49 135.00 134.46 1ugk n PRO 83 Ca 0.31 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1ugk n PRO 83 Cb -0.03 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1ugk n PRO 83 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1ugk n TYR 84 N 0.05 0.00 0.25 0.54 9.36 -1.26 -4.26 117.16 121.84 1ugk n TYR 84 Ca 0.00 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.35 1ugk n TYR 84 Cb 0.17 0.00 0.72 0.00 -0.63 0.00 0.00 39.34 39.59 1ugk n TYR 84 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 1ugk h THR 85 N 0.00 0.00 -0.01 2.97 1.35 -1.99 1.36 112.91 116.60 1ugk h THR 85 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1ugk h THR 85 Cb 0.00 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 1ugk h THR 85 CO 0.00 0.00 -0.22 1.67 -0.25 0.00 0.00 175.52 176.72 1ugk n GLN 86 N -2.55 1.04 0.13 4.72 7.27 -1.26 -4.10 117.38 122.63 1ugk n GLN 86 Ca -0.02 -0.64 -0.14 0.00 0.07 0.00 0.00 57.00 56.28 1ugk n GLN 86 Cb 0.22 -1.49 -0.08 0.00 2.41 0.00 0.00 30.24 31.30 1ugk n GLN 86 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1ugk h ILE 87 N 1.56 0.84 -1.03 1.69 1.08 0.15 -0.76 117.51 121.03 1ugk h ILE 87 Ca 0.00 -0.34 0.26 0.00 -0.39 0.00 0.00 64.86 64.39 1ugk h ILE 87 Cb 0.53 1.04 -0.11 0.00 -3.07 0.00 0.00 36.82 35.21 1ugk h ILE 87 CO 0.00 0.08 0.65 1.56 -0.69 0.00 0.00 178.15 179.74 1ugk h GLN 88 N -0.47 0.45 -0.01 2.37 4.20 -1.70 0.94 115.11 120.89 1ugk h GLN 88 Ca -0.03 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.50 1ugk h GLN 88 Cb 0.35 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1ugk h GLN 88 CO 0.05 0.30 -0.68 0.93 -0.67 0.00 0.00 178.83 178.75 1ugk h GLU 89 N 0.46 0.08 0.00 1.46 4.39 -1.68 -1.43 114.58 117.86 1ugk h GLU 89 Ca 0.62 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 60.22 1ugk h GLU 89 Cb 1.42 0.01 0.02 0.00 -0.10 0.00 0.00 28.75 30.10 1ugk h GLU 89 CO -0.37 0.73 -0.00 1.28 -1.16 0.00 0.00 179.01 179.49 1ugk n LEU 90 N -3.76 0.00 0.00 1.33 4.32 0.33 -4.25 117.00 114.97 1ugk n LEU 90 Ca -0.02 -0.09 0.00 0.00 -0.02 0.00 0.00 56.01 55.88 1ugk n LEU 90 Cb 0.67 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 42.38 1ugk n LEU 90 CO 0.44 -1.40 0.00 0.00 -1.22 0.00 0.00 177.39 175.21 1ugk n ALA 91 N -3.22 0.00 -2.04 -1.18 0.00 0.25 -3.89 120.51 110.43 1ugk n ALA 91 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 1ugk n ALA 91 Cb 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.44 1ugk n ALA 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ugk s LEU 92 N 0.00 4.27 -0.28 0.00 1.43 -0.94 0.21 118.68 123.37 1ugk s LEU 92 Ca 0.00 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.58 1ugk s LEU 92 Cb 0.00 -3.81 0.08 0.00 0.03 0.00 0.00 46.19 42.49 1ugk s LEU 92 CO 0.00 -0.05 0.03 -2.28 0.23 0.00 0.00 176.35 174.28 1ugk s HIS 93 N -1.66 2.22 -0.27 0.29 2.46 -0.86 -1.42 115.29 116.04 1ugk s HIS 93 Ca 0.47 -1.87 -0.16 0.00 0.47 0.00 0.00 55.06 53.98 1ugk s HIS 93 Cb -0.15 -1.81 -0.03 0.00 -0.13 0.00 0.00 32.58 30.46 1ugk s HIS 93 CO 0.20 -0.83 0.42 -0.06 -2.47 0.00 0.00 174.74 172.00 1ugk s PHE 94 N 1.44 3.25 -0.38 3.88 0.08 0.65 -3.38 117.98 123.52 1ugk s PHE 94 Ca 0.04 0.44 -0.00 0.00 0.12 0.00 0.00 56.93 57.52 1ugk s PHE 94 Cb -0.18 -2.63 0.11 0.00 -0.57 0.00 0.00 43.02 39.74 1ugk s PHE 94 CO -0.14 -0.27 0.14 0.99 -0.10 0.00 0.00 175.22 175.85 1ugk s THR 95 N 2.15 2.91 -1.19 0.64 2.01 -1.03 0.23 115.64 121.35 1ugk s THR 95 Ca 0.17 -2.16 -0.20 0.00 0.31 0.00 0.00 61.69 59.81 1ugk s THR 95 Cb -0.16 -3.04 0.04 0.00 0.01 0.00 0.00 72.50 69.36 1ugk s THR 95 CO 0.10 -0.65 1.69 -0.63 -0.69 0.00 0.00 174.62 174.45 1ugk s ILE 96 N 1.05 3.97 0.42 1.82 1.09 -0.63 -2.54 121.20 126.38 1ugk s ILE 96 Ca 0.09 -1.43 0.07 0.00 -1.10 0.00 0.00 60.65 58.28 1ugk s ILE 96 Cb -0.21 -5.04 -0.05 0.00 -1.06 0.00 0.00 42.46 36.09 1ugk s ILE 96 CO -0.06 -1.84 0.14 -1.48 -0.10 0.00 0.00 174.94 171.61 1ugk s LEU 97 N 5.46 3.02 -0.07 2.97 2.34 -1.08 -1.22 118.68 130.10 1ugk s LEU 97 Ca 0.54 -1.18 0.04 0.00 0.06 0.00 0.00 54.13 53.59 1ugk s LEU 97 Cb 0.02 -1.28 -0.02 0.00 -0.56 0.00 0.00 46.19 44.36 1ugk s LEU 97 CO 0.03 -0.55 -0.18 -0.55 -1.06 0.00 0.00 176.35 174.04 1ugk s SER 98 N -3.87 3.68 0.37 1.48 0.15 0.25 -0.73 113.70 115.02 1ugk s SER 98 Ca 0.38 -0.34 -0.25 0.00 0.70 0.00 0.00 55.95 56.44 1ugk s SER 98 Cb 0.05 -1.03 -0.09 0.00 -1.71 0.00 0.00 66.02 63.24 1ugk s SER 98 CO 0.21 0.27 1.03 0.12 1.20 0.00 0.00 173.24 176.06 1ugk s PHE 99 N -0.26 3.41 0.45 3.44 2.19 -1.23 -3.28 117.98 122.70 1ugk s PHE 99 Ca 0.01 1.68 0.03 0.00 0.33 0.00 0.00 56.93 58.98 1ugk s PHE 99 Cb -0.13 -3.09 -0.03 0.00 -1.31 0.00 0.00 43.02 38.46 1ugk s PHE 99 CO 0.03 -0.40 0.05 -0.51 1.83 0.00 0.00 175.22 176.21 1ugk s ASP 100 N -1.51 3.54 -0.24 6.13 1.11 -1.26 -4.87 116.67 119.57 1ugk s ASP 100 Ca 0.54 -1.60 0.12 0.00 0.18 0.00 0.00 52.55 51.79 1ugk s ASP 100 Cb -0.22 0.34 0.46 0.00 1.07 0.00 0.00 42.92 44.56 1ugk s ASP 100 CO 0.28 -0.80 1.18 -2.11 1.18 0.00 0.00 175.17 174.90 1ugk n ARG 101 N -1.07 2.57 0.07 8.23 1.85 -1.26 -4.81 116.66 122.24 1ugk n ARG 101 Ca -0.12 -3.70 0.00 0.00 -1.00 0.00 0.00 57.85 53.03 1ugk n ARG 101 Cb 0.66 -1.85 0.00 0.00 -1.05 0.00 0.00 32.46 30.22 1ugk n ARG 101 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1ugk n PHE 102 N -0.71 -1.05 0.00 2.89 3.01 -1.26 -5.09 117.46 115.25 1ugk n PHE 102 Ca 0.29 0.19 0.00 0.00 1.01 0.00 0.00 57.45 58.94 1ugk n PHE 102 Cb 0.89 0.39 0.00 0.00 -0.01 0.00 0.00 39.48 40.74 1ugk n PHE 102 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1ugk n SER 103 N -3.07 0.00 -4.43 4.37 3.41 -1.26 -5.15 113.62 107.49 1ugk n SER 103 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 1ugk n SER 103 Cb 0.00 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.13 1ugk n SER 103 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1ugk n ARG 104 N 0.00 -1.33 -3.94 4.33 1.85 -1.26 -5.00 116.66 111.31 1ugk n ARG 104 Ca 0.00 -0.35 -0.29 0.00 -1.00 0.00 0.00 57.85 56.21 1ugk n ARG 104 Cb 0.00 -1.98 -0.16 0.00 -1.05 0.00 0.00 32.46 29.27 1ugk n ARG 104 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1ugk s ASP 105 N -2.17 2.84 -1.14 2.89 1.01 -1.26 -4.54 116.67 114.31 1ugk s ASP 105 Ca 0.61 -0.63 -0.16 0.00 0.71 0.00 0.00 52.55 53.09 1ugk s ASP 105 Cb -0.20 -1.03 0.15 0.00 1.01 0.00 0.00 42.92 42.85 1ugk s ASP 105 CO 0.65 -0.14 1.38 -1.81 0.21 0.00 0.00 175.17 175.46 1ugk s ASP 106 N 1.56 6.93 0.17 0.27 1.01 -1.20 -4.97 116.67 120.44 1ugk s ASP 106 Ca 0.02 -2.68 -0.30 0.00 0.71 0.00 0.00 52.55 50.30 1ugk s ASP 106 Cb -0.15 -2.42 -0.07 0.00 1.01 0.00 0.00 42.92 41.29 1ugk s ASP 106 CO -0.08 -0.88 0.96 -0.63 0.21 0.00 0.00 175.17 174.75 1ugk s ILE 107 N 2.15 4.25 -0.14 0.77 1.01 -1.26 -0.58 121.20 127.40 1ugk s ILE 107 Ca 0.41 2.04 -0.07 0.00 0.00 0.00 0.00 60.65 63.04 1ugk s ILE 107 Cb -0.03 -4.30 -0.25 0.00 0.01 0.00 0.00 42.46 37.89 1ugk s ILE 107 CO -0.02 0.40 0.31 -0.38 0.00 0.00 0.00 174.94 175.24 1ugk n ILE 108 N 2.16 1.75 -3.63 2.92 5.41 -0.36 -4.91 119.36 122.71 1ugk n ILE 108 Ca 0.00 -0.61 0.01 0.00 1.00 0.00 0.00 62.75 63.15 1ugk n ILE 108 Cb 0.48 -1.73 -0.01 0.00 -0.71 0.00 0.00 39.64 37.68 1ugk n ILE 108 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1ugk s GLY 109 N -5.62 -0.40 0.05 7.39 0.00 -0.93 -4.74 107.32 103.07 1ugk s GLY 109 Ca -0.24 0.68 0.09 0.00 0.00 0.00 0.00 44.72 45.25 1ugk s GLY 109 CO 0.74 0.13 -0.24 -0.54 0.00 0.00 0.00 173.10 173.19 1ugk s GLU 110 N -2.50 1.60 0.07 2.90 2.02 -1.22 -1.61 118.70 119.96 1ugk s GLU 110 Ca 0.14 -1.06 0.03 0.00 0.02 0.00 0.00 54.97 54.10 1ugk s GLU 110 Cb 0.04 -1.77 -0.03 0.00 0.10 0.00 0.00 34.13 32.47 1ugk s GLU 110 CO -0.03 0.45 -0.09 0.08 0.02 0.00 0.00 175.26 175.69 1ugk s VAL 111 N -0.82 0.76 -0.13 2.63 1.01 0.62 -4.43 120.40 120.04 1ugk s VAL 111 Ca 0.10 -1.42 -0.11 0.00 0.00 0.00 0.00 61.98 60.54 1ugk s VAL 111 Cb -0.10 -1.07 0.03 0.00 0.00 0.00 0.00 36.38 35.24 1ugk s VAL 111 CO 0.02 -0.50 0.34 -0.22 0.00 0.00 0.00 175.10 174.74 1ugk s LEU 112 N -2.11 0.66 -0.30 3.92 2.96 -1.26 -0.25 118.68 122.30 1ugk s LEU 112 Ca -0.01 0.68 -0.03 0.00 -0.22 0.00 0.00 54.13 54.56 1ugk s LEU 112 Cb -0.05 1.15 0.10 0.00 0.50 0.00 0.00 46.19 47.89 1ugk s LEU 112 CO -0.00 -0.12 0.12 -0.51 -1.32 0.00 0.00 176.35 174.52 1ugk s ILE 113 N 0.27 0.29 -0.15 6.68 1.10 -0.51 -4.97 121.20 123.91 1ugk s ILE 113 Ca -0.01 -1.04 -0.29 0.00 -0.51 0.00 0.00 60.65 58.80 1ugk s ILE 113 Cb -0.03 -1.24 -0.02 0.00 0.15 0.00 0.00 42.46 41.32 1ugk s ILE 113 CO -0.00 -0.72 1.27 -2.16 -2.11 0.00 0.00 174.94 171.21 1ugk s PRO 114 N 1.87 4.25 0.00 3.50 0.04 -1.26 -2.21 135.00 141.19 1ugk s PRO 114 Ca 0.10 1.68 0.22 0.00 0.04 0.00 0.00 61.00 63.04 1ugk s PRO 114 Cb -0.17 -3.74 1.27 0.00 0.04 0.00 0.00 34.50 31.90 1ugk s PRO 114 CO -0.31 -0.68 1.72 1.28 0.04 0.00 0.00 177.00 179.05 1ugk n LEU 115 N 6.44 0.00 -4.55 -3.56 4.77 -1.25 -4.62 117.00 114.23 1ugk n LEU 115 Ca 0.14 0.09 -0.26 0.00 -0.03 0.00 0.00 56.01 55.94 1ugk n LEU 115 Cb 0.45 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.40 1ugk n LEU 115 CO 0.56 -0.03 1.60 -0.55 -1.33 0.00 0.00 177.39 177.64 1ugk s SER 116 N -2.18 4.37 0.00 -1.43 0.15 -0.54 -0.79 113.70 113.28 1ugk s SER 116 Ca 0.30 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.37 1ugk s SER 116 Cb 0.15 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1ugk s SER 116 CO 0.28 -3.21 0.00 0.61 1.20 0.00 0.00 173.24 172.12 1ugk n GLY 117 N 6.38 1.18 3.64 9.45 0.00 -1.26 -5.02 105.19 119.55 1ugk n GLY 117 Ca 0.39 -0.23 -0.47 0.00 0.00 0.00 0.00 46.02 45.70 1ugk n GLY 117 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ugk n ILE 118 N 0.00 0.35 -4.08 -0.61 2.08 0.03 -4.96 119.36 112.18 1ugk n ILE 118 Ca 0.00 -0.09 -0.33 0.00 0.56 0.00 0.00 62.75 62.90 1ugk n ILE 118 Cb 0.00 -1.28 -0.15 0.00 -0.75 0.00 0.00 39.64 37.46 1ugk n ILE 118 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1ugk s GLU 119 N 0.32 2.56 0.00 0.38 -1.05 -1.26 -4.84 118.70 114.82 1ugk s GLU 119 Ca 0.77 -1.13 0.23 0.00 -0.15 0.00 0.00 54.97 54.69 1ugk s GLU 119 Cb -0.75 -2.79 0.28 0.00 -0.44 0.00 0.00 34.13 30.43 1ugk s GLU 119 CO 0.45 -0.43 1.30 1.28 0.95 0.00 0.00 175.26 178.81 1ugk n LEU 120 N 4.52 3.14 -0.53 1.83 4.77 -1.26 -4.45 117.00 125.02 1ugk n LEU 120 Ca -0.17 -1.21 0.43 0.00 -0.03 0.00 0.00 56.01 55.04 1ugk n LEU 120 Cb 0.45 -0.10 0.71 0.00 -2.33 0.00 0.00 43.42 42.16 1ugk n LEU 120 CO 0.23 0.59 1.29 0.77 -1.33 0.00 0.00 177.39 178.95 1ugk h SER 121 N 4.49 0.15 -0.08 -1.43 4.64 -2.01 1.52 113.55 120.84 1ugk h SER 121 Ca 0.00 0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.39 1ugk h SER 121 Cb 0.97 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1ugk h SER 121 CO 0.00 -0.19 -0.14 -0.33 -0.87 0.00 0.00 176.83 175.30 1ugk h GLU 122 N 0.01 0.23 0.00 4.77 5.08 -2.03 -3.50 114.58 119.14 1ugk h GLU 122 Ca 0.89 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 59.11 1ugk h GLU 122 Cb 3.04 0.02 0.00 0.00 0.50 0.00 0.00 28.75 32.31 1ugk h GLU 122 CO -0.36 0.73 0.00 0.41 -1.00 0.00 0.00 179.01 178.79 1ugk n GLY 123 N 0.41 -0.31 3.68 -3.84 0.00 0.52 -5.09 105.19 100.56 1ugk n GLY 123 Ca -0.08 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.55 4.28 -0.04 1.61 2.20 -1.26 -4.61 119.74 120.38 1ugk s LYS 124 Ca 0.00 0.67 0.06 0.00 -0.36 0.00 0.00 55.97 56.34 1ugk s LYS 124 Cb 0.00 -3.53 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 1ugk s LYS 124 CO 0.00 -0.12 -0.22 0.00 -0.36 0.00 0.00 175.35 174.64 1ugk s MET 125 N 1.50 2.36 0.15 4.03 0.23 -0.98 -4.97 119.30 121.62 1ugk s MET 125 Ca 0.31 -0.86 -0.25 0.00 -1.03 0.00 0.00 55.69 53.86 1ugk s MET 125 Cb -0.16 -2.18 -0.08 0.00 -1.53 0.00 0.00 34.83 30.89 1ugk s MET 125 CO 0.12 0.52 0.77 -1.17 -2.03 0.00 0.00 175.02 173.24 1ugk s LEU 126 N -0.50 4.58 0.04 0.18 1.98 -1.26 -2.08 118.68 121.61 1ugk s LEU 126 Ca 0.06 1.62 -0.03 0.00 -2.89 0.00 0.00 54.13 52.90 1ugk s LEU 126 Cb -0.11 -3.28 -0.02 0.00 0.66 0.00 0.00 46.19 43.43 1ugk s LEU 126 CO 0.01 0.18 0.03 -0.04 -1.89 0.00 0.00 176.35 174.64 1ugk s MET 127 N -1.00 0.52 0.11 1.98 -1.94 0.13 -4.98 119.30 114.13 1ugk s MET 127 Ca 0.36 -0.83 0.01 0.00 -1.71 0.00 0.00 55.69 53.52 1ugk s MET 127 Cb -0.23 0.19 -0.04 0.00 2.01 0.00 0.00 34.83 36.76 1ugk s MET 127 CO 0.26 -0.11 -0.03 0.54 -0.01 0.00 0.00 175.02 175.66 1ugk s ASN 128 N -2.14 0.99 -0.04 3.03 2.20 -1.26 -0.96 114.94 116.76 1ugk s ASN 128 Ca -0.05 -1.06 -0.12 0.00 -0.94 0.00 0.00 52.86 50.68 1ugk s ASN 128 Cb -0.01 0.13 0.02 0.00 -2.00 0.00 0.00 41.25 39.39 1ugk s ASN 128 CO -0.05 -0.53 0.28 -0.13 -2.94 0.00 0.00 177.10 173.73 1ugk s ARG 129 N -3.89 0.54 0.20 3.55 1.81 0.75 -4.96 118.95 116.95 1ugk s ARG 129 Ca 0.15 -0.02 -0.14 0.00 -1.72 0.00 0.00 55.73 54.00 1ugk s ARG 129 Cb 0.06 0.24 -0.07 0.00 -0.45 0.00 0.00 34.95 34.73 1ugk s ARG 129 CO -0.03 -0.13 0.60 -1.83 -0.68 0.00 0.00 175.30 173.24 1ugk s GLU 130 N -0.84 3.99 -0.23 3.54 -1.05 -1.26 0.12 118.70 122.98 1ugk s GLU 130 Ca -0.09 0.53 -0.08 0.00 -0.15 0.00 0.00 54.97 55.18 1ugk s GLU 130 Cb -0.05 -2.80 -0.04 0.00 -0.44 0.00 0.00 34.13 30.81 1ugk s GLU 130 CO 0.03 0.39 0.08 0.42 0.95 0.00 0.00 175.26 177.13 1ugk s ILE 131 N -1.61 4.64 0.05 1.83 1.01 0.13 -4.85 121.20 122.39 1ugk s ILE 131 Ca 0.43 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 61.02 1ugk s ILE 131 Cb -0.14 -3.14 -0.00 0.00 0.01 0.00 0.00 42.46 39.18 1ugk s ILE 131 CO 0.20 0.37 0.03 2.30 0.00 0.00 0.00 174.94 177.84 1ugk n ILE 132 N 4.41 0.00 -2.96 2.92 -6.64 -1.26 -3.89 119.36 111.93 1ugk n ILE 132 Ca -0.16 -0.34 -0.44 0.00 -1.77 0.00 0.00 62.75 60.04 1ugk n ILE 132 Cb 0.52 0.15 0.00 0.00 -1.44 0.00 0.00 39.64 38.87 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 -2.56 5.35 -1.49 7.28 2.88 -1.26 -3.43 113.62 120.38 1ugk n SER 133 Ca 0.00 -3.03 0.05 0.00 -1.33 0.00 0.00 58.87 54.56 1ugk n SER 133 Cb 0.08 -1.50 -0.03 0.00 -0.75 0.00 0.00 64.21 62.02 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 3.44 -3.85 3.58 0.46 0.00 -1.26 -4.44 105.19 103.11 1ugk n GLY 134 Ca 0.34 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 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 -5.05 3.22 0.27 1.61 0.04 -1.26 -4.90 135.00 128.93 1ugk s PRO 135 Ca 0.00 -1.48 0.08 0.00 0.04 0.00 0.00 61.00 59.64 1ugk s PRO 135 Cb 0.00 -5.37 -0.06 0.00 0.04 0.00 0.00 34.50 29.11 1ugk s PRO 135 CO 0.00 -3.08 -0.10 0.45 0.04 0.00 0.00 177.00 174.31 1ugk s SER 136 N 5.49 2.97 -0.63 6.66 0.15 -1.26 -5.10 113.70 121.98 1ugk s SER 136 Ca 0.61 -1.14 0.05 0.00 0.70 0.00 0.00 55.95 56.16 1ugk s SER 136 Cb 0.01 -0.20 0.15 0.00 -1.71 0.00 0.00 66.02 64.27 1ugk s SER 136 CO 0.09 -0.24 0.40 -0.55 1.20 0.00 0.00 173.24 174.13 1ugk s SER 137 N -3.45 4.61 0.00 5.45 0.15 -1.26 -5.10 113.70 114.10 1ugk s SER 137 Ca 0.29 -3.52 0.00 0.00 0.70 0.00 0.00 55.95 53.42 1ugk s SER 137 Cb 0.02 -1.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.69 1ugk s SER 137 CO 0.12 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.03