#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugk s SER 2 N 0.00 6.81 0.93 1.61 0.01 -1.26 -5.03 113.70 116.77 1ugk s SER 2 Ca 0.00 -2.57 -0.11 0.00 1.31 0.00 0.00 55.95 54.59 1ugk s SER 2 Cb 0.00 -2.31 0.15 0.00 0.21 0.00 0.00 66.02 64.07 1ugk s SER 2 CO 0.00 -0.77 1.11 -0.94 0.41 0.00 0.00 173.24 173.06 1ugk s SER 3 N 2.76 2.95 0.00 2.44 1.04 -1.26 -5.05 113.70 116.58 1ugk s SER 3 Ca 0.29 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.66 1ugk s SER 3 Cb -0.07 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1ugk s SER 3 CO -0.08 -3.04 0.00 0.61 0.98 0.00 0.00 173.24 171.71 1ugk n GLY 4 N -0.10 1.16 2.01 7.32 0.00 -1.26 -5.09 105.19 109.23 1ugk n GLY 4 Ca 0.09 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1ugk n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ugk n SER 5 N 0.00 -0.25 0.03 1.61 2.88 -1.26 -5.07 113.62 111.56 1ugk n SER 5 Ca 0.00 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1ugk n SER 5 Cb 0.00 0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 1ugk n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ugk n SER 6 N -2.88 -0.50 -3.71 -3.46 3.41 -1.26 -5.13 113.62 100.10 1ugk n SER 6 Ca 0.00 0.15 -0.13 0.00 -0.26 0.00 0.00 58.87 58.63 1ugk n SER 6 Cb 0.00 0.73 -0.13 0.00 -0.26 0.00 0.00 64.21 64.55 1ugk n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ugk s GLY 7 N -2.00 -0.14 0.00 5.00 0.00 -1.26 -5.04 107.32 103.88 1ugk s GLY 7 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 44.72 45.72 1ugk s GLY 7 CO 0.00 1.47 0.00 1.04 0.00 0.00 0.00 173.10 175.61 1ugk n LEU 8 N 4.54 1.30 0.00 0.66 4.77 -1.16 -4.97 117.00 122.15 1ugk n LEU 8 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1ugk n LEU 8 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1ugk n LEU 8 CO 0.11 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1ugk n GLY 9 N 2.77 2.05 3.38 -0.72 0.00 -0.99 -4.34 105.19 107.35 1ugk n GLY 9 Ca 0.00 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.70 1.65 -0.09 2.61 2.01 -0.17 0.22 115.64 119.17 1ugk s THR 10 Ca 0.00 -2.16 0.00 0.00 0.31 0.00 0.00 61.69 59.84 1ugk s THR 10 Cb 0.00 -2.26 0.02 0.00 0.01 0.00 0.00 72.50 70.27 1ugk s THR 10 CO 0.00 -0.44 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.20 1ugk s LEU 11 N -3.38 1.20 -0.09 4.42 1.98 -0.29 -3.07 118.68 119.44 1ugk s LEU 11 Ca 0.26 -0.26 -0.02 0.00 -2.89 0.00 0.00 54.13 51.22 1ugk s LEU 11 Cb 0.02 -0.76 -0.03 0.00 0.66 0.00 0.00 46.19 46.07 1ugk s LEU 11 CO 0.09 -0.10 0.00 -0.36 -1.89 0.00 0.00 176.35 174.10 1ugk s PHE 12 N 1.51 3.16 0.13 5.38 0.08 -0.83 -1.70 117.98 125.71 1ugk s PHE 12 Ca 0.01 0.16 -0.26 0.00 0.12 0.00 0.00 56.93 56.96 1ugk s PHE 12 Cb -0.13 -1.81 0.07 0.00 -0.57 0.00 0.00 43.02 40.57 1ugk s PHE 12 CO -0.05 0.42 0.97 -0.59 -0.10 0.00 0.00 175.22 175.87 1ugk s PHE 13 N -0.75 -0.14 -0.08 0.36 -0.71 -0.43 -1.20 117.98 115.03 1ugk s PHE 13 Ca 0.12 -0.14 -0.04 0.00 -1.04 0.00 0.00 56.93 55.82 1ugk s PHE 13 Cb -0.12 0.63 0.04 0.00 -1.21 0.00 0.00 43.02 42.36 1ugk s PHE 13 CO 0.02 -0.78 0.19 -1.54 -1.34 0.00 0.00 175.22 171.78 1ugk s SER 14 N -2.91 -0.18 0.25 1.98 1.04 -0.40 0.03 113.70 113.51 1ugk s SER 14 Ca 0.12 0.40 -0.14 0.00 0.48 0.00 0.00 55.95 56.81 1ugk s SER 14 Cb -0.01 0.29 -0.08 0.00 0.10 0.00 0.00 66.02 66.32 1ugk s SER 14 CO 0.01 -0.15 0.65 -0.76 0.98 0.00 0.00 173.24 173.97 1ugk s LEU 15 N 1.15 4.17 -0.28 2.42 2.01 -1.03 -1.94 118.68 125.18 1ugk s LEU 15 Ca -0.09 1.15 -0.12 0.00 0.01 0.00 0.00 54.13 55.09 1ugk s LEU 15 Cb -0.10 -3.77 0.11 0.00 0.01 0.00 0.00 46.19 42.43 1ugk s LEU 15 CO -0.07 -0.09 0.65 -0.70 1.01 0.00 0.00 176.35 177.15 1ugk s GLU 16 N -2.65 0.61 -0.15 1.70 2.12 0.12 -2.79 118.70 117.66 1ugk s GLU 16 Ca 0.48 1.34 -0.06 0.00 0.36 0.00 0.00 54.97 57.09 1ugk s GLU 16 Cb -0.12 0.56 -0.04 0.00 0.26 0.00 0.00 34.13 34.79 1ugk s GLU 16 CO 0.19 -0.18 0.05 -0.47 -0.54 0.00 0.00 175.26 174.32 1ugk s TYR 17 N 2.38 3.27 -1.35 5.30 5.04 -1.26 0.20 117.35 130.92 1ugk s TYR 17 Ca -0.07 0.14 -0.15 0.00 -2.44 0.00 0.00 57.07 54.55 1ugk s TYR 17 Cb -0.09 -1.99 0.08 0.00 0.35 0.00 0.00 41.96 40.30 1ugk s TYR 17 CO -0.19 0.29 1.92 -1.71 -1.34 0.00 0.00 175.55 174.52 1ugk n ASN 18 N 3.03 4.56 -0.17 4.32 2.85 0.49 -4.78 115.26 125.56 1ugk n ASN 18 Ca -0.17 -2.91 -0.03 0.00 -0.11 0.00 0.00 54.58 51.35 1ugk n ASN 18 Cb 0.53 -1.67 0.03 0.00 1.24 0.00 0.00 39.78 39.91 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 6.73 -0.46 -0.85 1.20 -1.00 -1.93 1.76 116.94 122.38 1ugk h PHE 19 Ca 0.48 0.05 0.10 0.00 2.81 0.00 0.00 57.97 61.42 1ugk h PHE 19 Cb 0.76 0.29 -0.13 0.00 3.61 0.00 0.00 35.95 40.48 1ugk h PHE 19 CO 1.39 -0.28 -0.49 1.49 -1.61 0.00 0.00 178.31 178.80 1ugk h GLU 20 N -0.07 -0.08 -0.72 1.51 4.57 -1.95 0.57 114.58 118.42 1ugk h GLU 20 Ca 0.25 0.01 -0.21 0.00 -1.18 0.00 0.00 59.36 58.22 1ugk h GLU 20 Cb 0.45 0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 28.94 1ugk h GLU 20 CO -0.58 -0.06 0.26 0.54 -1.18 0.00 0.00 179.01 177.99 1ugk n ARG 21 N -5.36 3.62 -3.38 1.92 1.74 -0.56 -4.96 116.66 109.68 1ugk n ARG 21 Ca 0.04 -3.09 -0.20 0.00 -0.77 0.00 0.00 57.85 53.83 1ugk n ARG 21 Cb 0.33 -2.19 0.00 0.00 -1.02 0.00 0.00 32.46 29.58 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 -0.22 -1.18 -4.26 5.56 5.02 0.56 -4.80 118.16 118.84 1ugk n LYS 22 Ca 0.41 0.61 -0.16 0.00 -2.02 0.00 0.00 58.31 57.14 1ugk n LYS 22 Cb 1.37 -1.60 -0.09 0.00 -0.02 0.00 0.00 35.03 34.69 1ugk n LYS 22 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ugk s ALA 23 N -2.50 1.62 0.05 7.82 0.00 0.13 -3.99 121.76 124.89 1ugk s ALA 23 Ca 0.04 -1.88 0.09 0.00 0.00 0.00 0.00 51.96 50.21 1ugk s ALA 23 Cb -0.00 1.40 -0.03 0.00 0.00 0.00 0.00 23.12 24.49 1ugk s ALA 23 CO 0.66 -0.61 -0.25 0.12 0.00 0.00 0.00 175.76 175.67 1ugk s PHE 24 N -3.74 2.19 -0.07 0.00 5.36 -0.62 0.18 117.98 121.29 1ugk s PHE 24 Ca 0.39 -0.40 -0.01 0.00 -0.96 0.00 0.00 56.93 55.95 1ugk s PHE 24 Cb 0.04 -1.30 0.03 0.00 -0.34 0.00 0.00 43.02 41.45 1ugk s PHE 24 CO 0.20 0.14 0.00 0.08 -1.46 0.00 0.00 175.22 174.18 1ugk s VAL 25 N -0.84 0.37 -0.58 3.12 1.01 0.53 -1.38 120.40 122.63 1ugk s VAL 25 Ca 0.11 0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.15 1ugk s VAL 25 Cb -0.10 -0.52 0.15 0.00 0.00 0.00 0.00 36.38 35.91 1ugk s VAL 25 CO 0.02 0.26 0.42 -0.69 0.00 0.00 0.00 175.10 175.11 1ugk s VAL 26 N 1.91 4.01 -0.32 2.92 1.01 -1.10 -0.71 120.40 128.12 1ugk s VAL 26 Ca 0.04 -2.45 -0.28 0.00 0.00 0.00 0.00 61.98 59.29 1ugk s VAL 26 Cb -0.12 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1ugk s VAL 26 CO -0.05 -0.84 1.01 0.21 0.00 0.00 0.00 175.10 175.43 1ugk s ASN 27 N 1.57 6.86 -0.52 3.32 3.84 -0.82 -3.60 114.94 125.60 1ugk s ASN 27 Ca 0.13 0.94 -0.16 0.00 0.21 0.00 0.00 52.86 53.97 1ugk s ASN 27 Cb -0.21 -2.51 0.10 0.00 -0.55 0.00 0.00 41.25 38.08 1ugk s ASN 27 CO -0.04 -0.83 0.48 -0.63 -2.79 0.00 0.00 177.10 173.29 1ugk s ILE 28 N 3.52 5.16 0.00 -5.21 1.01 -0.69 -1.28 121.20 123.72 1ugk s ILE 28 Ca 0.42 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1ugk s ILE 28 Cb -0.12 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.08 1ugk s ILE 28 CO 0.15 -0.77 0.00 1.17 0.00 0.00 0.00 174.94 175.49 1ugk n LYS 29 N 5.38 2.14 -4.16 2.79 4.81 -0.34 -0.61 118.16 128.17 1ugk n LYS 29 Ca -0.13 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.05 1ugk n LYS 29 Cb 0.42 0.00 -0.05 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 -0.11 1.64 -1.05 -1.23 -1.79 118.70 118.39 1ugk s GLU 30 Ca 0.00 -2.02 0.01 0.00 -0.15 0.00 0.00 54.97 52.81 1ugk s GLU 30 Cb 0.00 -1.94 0.02 0.00 -0.44 0.00 0.00 34.13 31.77 1ugk s GLU 30 CO 0.00 -0.35 -0.11 0.00 0.95 0.00 0.00 175.26 175.75 1ugk s ALA 31 N -2.72 1.48 -0.06 -0.84 0.00 -0.88 -1.97 121.76 116.77 1ugk s ALA 31 Ca 0.31 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.68 1ugk s ALA 31 Cb 0.01 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 1ugk s ALA 31 CO 0.18 -0.24 -0.14 1.03 0.00 0.00 0.00 175.76 176.59 1ugk s ARG 32 N 1.32 2.65 0.00 0.00 0.52 -1.17 -3.70 118.95 118.57 1ugk s ARG 32 Ca -0.01 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 1ugk s ARG 32 Cb -0.14 -2.42 0.00 0.00 0.52 0.00 0.00 34.95 32.91 1ugk s ARG 32 CO -0.05 0.56 0.00 0.41 0.02 0.00 0.00 175.30 176.24 1ugk n GLY 33 N 2.50 0.48 3.57 -3.53 0.00 -1.26 -1.00 105.19 105.95 1ugk n GLY 33 Ca -0.17 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.66 4.16 0.01 0.99 1.43 -1.24 -2.34 118.68 121.03 1ugk s LEU 34 Ca 0.00 -0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.68 1ugk s LEU 34 Cb 0.00 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 1ugk s LEU 34 CO 0.00 -0.11 1.19 -2.16 0.23 0.00 0.00 176.35 175.50 1ugk s PRO 35 N 1.76 4.41 0.56 1.29 0.04 -1.26 -4.88 135.00 136.92 1ugk s PRO 35 Ca 0.07 1.71 -0.18 0.00 0.04 0.00 0.00 61.00 62.64 1ugk s PRO 35 Cb -0.16 -3.44 -0.09 0.00 0.04 0.00 0.00 34.50 30.84 1ugk s PRO 35 CO 0.11 -0.32 0.44 0.00 0.04 0.00 0.00 177.00 177.28 1ugk n ALA 36 N 4.42 -1.39 -0.08 8.56 0.00 -1.26 -4.94 120.51 125.83 1ugk n ALA 36 Ca 0.10 -0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 1ugk n ALA 36 Cb 0.47 -1.78 -0.07 0.00 0.00 0.00 0.00 19.45 18.07 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 0.12 0.39 -3.42 0.00 2.81 -1.26 -5.04 117.12 110.72 1ugk n MET 37 Ca 0.11 0.11 -0.22 0.00 -1.81 0.00 0.00 57.70 55.89 1ugk n MET 37 Cb 0.47 -1.26 0.01 0.00 -0.71 0.00 0.00 33.22 31.74 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 -5.78 5.01 -0.34 7.83 1.11 -1.26 -5.05 116.67 118.19 1ugk s ASP 38 Ca -0.22 -0.89 0.06 0.00 0.18 0.00 0.00 52.55 51.68 1ugk s ASP 38 Cb 0.06 0.01 0.45 0.00 1.07 0.00 0.00 42.92 44.51 1ugk s ASP 38 CO 0.35 -1.03 1.19 -0.62 1.18 0.00 0.00 175.17 176.23 1ugk n GLU 39 N -1.88 3.55 0.00 8.23 -0.58 -1.26 -4.65 120.64 124.04 1ugk n GLU 39 Ca 0.07 -4.24 0.00 0.00 -0.42 0.00 0.00 57.16 52.57 1ugk n GLU 39 Cb 0.62 -2.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.22 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 -0.65 0.00 -2.54 3.49 1.13 -1.26 -4.79 117.38 112.75 1ugk n GLN 40 Ca 0.43 0.07 -0.19 0.00 -1.94 0.00 0.00 57.00 55.37 1ugk n GLN 40 Cb 0.88 -0.43 0.02 0.00 0.11 0.00 0.00 30.24 30.81 1ugk n GLN 40 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1ugk n SER 41 N -1.13 3.31 -4.29 1.08 7.64 -1.26 -4.95 113.62 114.02 1ugk n SER 41 Ca 0.00 -3.25 -0.32 0.00 1.01 0.00 0.00 58.87 56.31 1ugk n SER 41 Cb 0.00 -0.48 -0.09 0.00 -1.01 0.00 0.00 64.21 62.63 1ugk n SER 41 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1ugk n MET 42 N -0.34 -0.97 -3.92 1.43 1.56 -1.26 -4.90 117.12 108.72 1ugk n MET 42 Ca 0.26 0.10 -0.09 0.00 -0.27 0.00 0.00 57.70 57.70 1ugk n MET 42 Cb 0.75 -3.53 -0.02 0.00 2.15 0.00 0.00 33.22 32.56 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 -4.31 0.00 0.24 1.12 -1.32 -1.26 -4.89 115.64 105.22 1ugk s THR 43 Ca 0.04 -1.21 -0.21 0.00 -1.21 0.00 0.00 61.69 59.10 1ugk s THR 43 Cb -0.02 -2.37 0.07 0.00 -1.51 0.00 0.00 72.50 68.66 1ugk s THR 43 CO 0.99 0.00 0.94 -0.94 -2.21 0.00 0.00 174.62 173.40 1ugk s SER 44 N -3.03 -0.04 -0.64 8.08 1.04 -1.26 -4.36 113.70 113.48 1ugk s SER 44 Ca 0.18 -0.75 0.06 0.00 0.48 0.00 0.00 55.95 55.92 1ugk s SER 44 Cb -0.03 0.61 0.24 0.00 0.10 0.00 0.00 66.02 66.93 1ugk s SER 44 CO 0.11 -1.19 0.71 0.47 0.98 0.00 0.00 173.24 174.32 1ugk n ASP 45 N -1.09 3.59 -4.79 7.02 8.00 -1.26 -1.81 116.55 126.20 1ugk n ASP 45 Ca -0.05 -3.40 -0.29 0.00 0.71 0.00 0.00 54.79 51.76 1ugk n ASP 45 Cb 0.60 -0.68 0.12 0.00 -0.02 0.00 0.00 41.12 41.14 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 -2.33 1.45 -0.29 -0.24 0.04 -1.26 -2.48 135.00 129.88 1ugk s PRO 46 Ca 0.38 0.40 -0.23 0.00 0.04 0.00 0.00 61.00 61.59 1ugk s PRO 46 Cb 0.13 -1.87 0.16 0.00 0.04 0.00 0.00 34.50 32.96 1ugk s PRO 46 CO -0.03 -2.01 1.20 1.52 0.04 0.00 0.00 177.00 177.72 1ugk s TYR 47 N -3.24 -0.29 0.11 0.56 -0.85 -1.20 -3.92 117.35 108.52 1ugk s TYR 47 Ca 0.63 0.66 -0.14 0.00 -0.52 0.00 0.00 57.07 57.70 1ugk s TYR 47 Cb -0.15 0.37 -0.07 0.00 0.38 0.00 0.00 41.96 42.50 1ugk s TYR 47 CO 0.54 -0.14 0.51 0.42 -1.52 0.00 0.00 175.55 175.36 1ugk s ILE 48 N 0.39 4.90 -0.19 -3.49 1.01 -1.26 -2.65 121.20 119.91 1ugk s ILE 48 Ca 0.02 0.83 -0.05 0.00 0.00 0.00 0.00 60.65 61.44 1ugk s ILE 48 Cb -0.05 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 1ugk s ILE 48 CO -0.11 0.34 0.01 -0.54 0.00 0.00 0.00 174.94 174.64 1ugk s LYS 49 N -1.71 3.69 -0.15 2.79 1.02 -0.53 -1.95 119.74 122.90 1ugk s LYS 49 Ca 0.34 -0.49 -0.14 0.00 0.02 0.00 0.00 55.97 55.71 1ugk s LYS 49 Cb -0.16 -3.10 -0.05 0.00 -0.52 0.00 0.00 37.83 34.01 1ugk s LYS 49 CO 0.18 0.08 0.29 1.41 -0.92 0.00 0.00 175.35 176.39 1ugk s MET 50 N 0.84 4.22 -0.03 1.68 1.75 0.66 -2.44 119.30 125.98 1ugk s MET 50 Ca 0.01 0.10 -0.01 0.00 -1.25 0.00 0.00 55.69 54.55 1ugk s MET 50 Cb -0.14 -3.41 0.03 0.00 2.84 0.00 0.00 34.83 34.15 1ugk s MET 50 CO 0.02 0.27 0.04 0.99 -0.65 0.00 0.00 175.02 175.70 1ugk s THR 51 N 0.36 -0.07 -1.20 10.11 2.01 -1.18 -0.59 115.64 125.08 1ugk s THR 51 Ca 0.17 0.25 -0.17 0.00 0.31 0.00 0.00 61.69 62.25 1ugk s THR 51 Cb -0.13 -0.10 0.12 0.00 0.01 0.00 0.00 72.50 72.40 1ugk s THR 51 CO 0.04 0.10 1.52 -0.63 -0.69 0.00 0.00 174.62 174.96 1ugk s ILE 52 N 1.27 4.57 0.72 1.82 1.01 -1.17 -1.06 121.20 128.37 1ugk s ILE 52 Ca -0.07 -2.11 -0.14 0.00 0.00 0.00 0.00 60.65 58.33 1ugk s ILE 52 Cb -0.13 -5.02 0.03 0.00 0.01 0.00 0.00 42.46 37.36 1ugk s ILE 52 CO -0.03 -1.79 1.15 -0.76 0.00 0.00 0.00 174.94 173.51 1ugk s LEU 53 N 2.95 3.28 0.09 2.97 2.01 0.50 -2.99 118.68 127.48 1ugk s LEU 53 Ca 0.46 2.15 -0.13 0.00 0.01 0.00 0.00 54.13 56.63 1ugk s LEU 53 Cb -0.00 -4.57 -0.19 0.00 0.01 0.00 0.00 46.19 41.44 1ugk s LEU 53 CO 0.01 -2.07 1.24 1.55 1.01 0.00 0.00 176.35 178.10 1ugk h PRO 54 N -0.39 0.72 -5.29 1.29 0.13 -1.83 0.11 132.00 126.74 1ugk h PRO 54 Ca -0.46 -0.70 -0.07 0.00 -0.87 0.00 0.00 66.00 63.90 1ugk h PRO 54 Cb 1.27 0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.56 1ugk h PRO 54 CO 0.51 1.29 0.35 0.39 -0.23 0.00 0.00 178.00 180.30 1ugk n GLU 55 N -3.88 0.48 0.00 0.86 1.02 -1.16 -4.67 120.64 113.29 1ugk n GLU 55 Ca -0.09 -0.71 0.01 0.00 -0.02 0.00 0.00 57.16 56.34 1ugk n GLU 55 Cb 0.83 -3.28 0.03 0.00 -0.02 0.00 0.00 31.44 29.00 1ugk n GLU 55 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ugk n LYS 56 N 8.31 0.01 0.00 3.49 5.02 -1.24 -3.78 118.16 129.96 1ugk n LYS 56 Ca 0.50 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 57.20 1ugk n LYS 56 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1ugk n LYS 56 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ugk n LYS 57 N -1.42 0.00 -1.58 1.97 4.76 -1.26 -2.31 118.16 118.32 1ugk n LYS 57 Ca 0.00 0.28 -0.14 0.00 -2.87 0.00 0.00 58.31 55.58 1ugk n LYS 57 Cb 0.01 -0.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.60 1ugk n LYS 57 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1ugk s HIS 58 N -1.57 1.16 -0.18 2.13 3.76 -1.25 -4.87 115.29 114.47 1ugk s HIS 58 Ca 0.00 2.34 -0.10 0.00 -0.15 0.00 0.00 55.06 57.15 1ugk s HIS 58 Cb 0.00 -3.31 -0.05 0.00 1.11 0.00 0.00 32.58 30.33 1ugk s HIS 58 CO 0.00 -0.85 0.16 0.15 -0.85 0.00 0.00 174.74 173.35 1ugk s LYS 59 N 8.66 4.11 -0.10 1.40 -0.14 -0.98 -3.02 119.74 129.68 1ugk s LYS 59 Ca 0.85 -0.15 -0.15 0.00 -1.36 0.00 0.00 55.97 55.16 1ugk s LYS 59 Cb -0.07 -3.39 0.04 0.00 -1.68 0.00 0.00 37.83 32.72 1ugk s LYS 59 CO 0.16 0.35 0.38 0.14 -0.76 0.00 0.00 175.35 175.62 1ugk s VAL 60 N 0.20 0.02 0.22 3.17 -7.23 0.24 -5.04 120.40 111.98 1ugk s VAL 60 Ca 0.10 -0.15 0.08 0.00 -1.81 0.00 0.00 61.98 60.20 1ugk s VAL 60 Cb -0.11 -0.59 -0.05 0.00 0.56 0.00 0.00 36.38 36.18 1ugk s VAL 60 CO -0.00 -0.08 -0.13 -1.59 -0.31 0.00 0.00 175.10 172.99 1ugk s LYS 61 N -0.34 1.38 -0.10 4.82 -2.85 -1.26 0.24 119.74 121.63 1ugk s LYS 61 Ca -0.05 -1.63 -0.15 0.00 -1.00 0.00 0.00 55.97 53.14 1ugk s LYS 61 Cb -0.03 -1.15 -0.05 0.00 -2.06 0.00 0.00 37.83 34.54 1ugk s LYS 61 CO 0.02 0.16 0.39 0.95 0.10 0.00 0.00 175.35 176.97 1ugk s THR 62 N -2.97 5.19 -0.44 3.79 -4.23 -0.82 -4.91 115.64 111.26 1ugk s THR 62 Ca 0.24 0.76 -0.40 0.00 -1.18 0.00 0.00 61.69 61.12 1ugk s THR 62 Cb -0.00 -3.71 -0.17 0.00 1.34 0.00 0.00 72.50 69.95 1ugk s THR 62 CO 0.08 0.42 1.58 -2.11 -0.54 0.00 0.00 174.62 174.06 1ugk n ARG 63 N 3.10 0.00 -2.34 3.99 -4.01 -1.26 -4.57 116.66 111.57 1ugk n ARG 63 Ca -0.11 0.00 -0.41 0.00 -1.04 0.00 0.00 57.85 56.29 1ugk n ARG 63 Cb 0.52 -1.31 -0.03 0.00 -3.04 0.00 0.00 32.46 28.61 1ugk n ARG 63 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 1ugk s VAL 64 N 3.68 3.67 0.80 8.89 0.11 -1.26 -4.81 120.40 131.47 1ugk s VAL 64 Ca 0.97 0.50 -0.12 0.00 -2.93 0.00 0.00 61.98 60.40 1ugk s VAL 64 Cb -1.31 -4.42 0.08 0.00 -1.53 0.00 0.00 36.38 29.21 1ugk s VAL 64 CO 0.66 -1.25 1.14 -0.76 -3.33 0.00 0.00 175.10 171.56 1ugk s LEU 65 N 6.68 3.08 -0.02 2.54 1.43 -1.25 -4.95 118.68 126.18 1ugk s LEU 65 Ca 0.52 2.12 -0.00 0.00 -1.03 0.00 0.00 54.13 55.74 1ugk s LEU 65 Cb -0.11 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.52 1ugk s LEU 65 CO 0.22 -2.45 0.04 -0.13 0.23 0.00 0.00 176.35 174.26 1ugk s ARG 66 N -4.46 2.96 -0.34 1.70 1.81 -1.26 -4.26 118.95 115.11 1ugk s ARG 66 Ca 0.67 -0.51 -0.27 0.00 -1.72 0.00 0.00 55.73 53.91 1ugk s ARG 66 Cb -0.23 -2.79 0.04 0.00 -0.45 0.00 0.00 34.95 31.52 1ugk s ARG 66 CO 0.52 0.65 0.48 1.63 -0.68 0.00 0.00 175.30 177.91 1ugk n LYS 67 N 1.45 -1.63 -3.24 3.54 5.02 -1.20 -4.97 118.16 117.13 1ugk n LYS 67 Ca -0.15 1.37 0.03 0.00 -2.02 0.00 0.00 58.31 57.55 1ugk n LYS 67 Cb 0.53 -2.20 -0.04 0.00 -0.02 0.00 0.00 35.03 33.30 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 -1.45 -0.19 -0.03 -0.18 -1.32 -0.75 -4.92 115.64 106.80 1ugk s THR 68 Ca 0.27 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.88 1ugk s THR 68 Cb -0.03 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.93 1ugk s THR 68 CO 0.66 0.00 1.41 -0.07 -2.21 0.00 0.00 174.62 174.41 1ugk h LEU 69 N 7.26 0.00 -6.91 9.08 3.38 -1.90 -3.37 115.31 122.84 1ugk h LEU 69 Ca -0.14 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.22 1ugk h LEU 69 Cb 1.13 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.46 1ugk h LEU 69 CO 0.05 0.67 -0.60 -0.90 0.09 0.00 0.00 178.44 177.74 1ugk n ASP 70 N -3.31 2.91 -4.76 -0.43 5.68 -1.26 -3.70 116.55 111.69 1ugk n ASP 70 Ca 0.01 -3.20 -0.40 0.00 -0.50 0.00 0.00 54.79 50.70 1ugk n ASP 70 Cb 0.79 -0.73 -0.04 0.00 -1.14 0.00 0.00 41.12 39.99 1ugk n ASP 70 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 1ugk s PRO 71 N -1.53 4.64 -0.38 0.11 0.04 -1.24 -4.89 135.00 131.75 1ugk s PRO 71 Ca 0.28 1.76 0.03 0.00 0.04 0.00 0.00 61.00 63.11 1ugk s PRO 71 Cb -0.01 -3.17 0.11 0.00 0.04 0.00 0.00 34.50 31.47 1ugk s PRO 71 CO -0.15 0.23 0.12 0.00 0.04 0.00 0.00 177.00 177.24 1ugk s ALA 72 N -1.18 2.75 -0.07 8.56 0.00 -1.26 -2.08 121.76 128.48 1ugk s ALA 72 Ca 0.45 -2.59 -0.19 0.00 0.00 0.00 0.00 51.96 49.63 1ugk s ALA 72 Cb -0.31 -1.96 -0.30 0.00 0.00 0.00 0.00 23.12 20.55 1ugk s ALA 72 CO 0.40 -1.79 0.75 0.74 0.00 0.00 0.00 175.76 175.85 1ugk h PHE 73 N 7.36 0.54 -7.02 0.00 0.04 -1.79 -3.48 116.94 112.59 1ugk h PHE 73 Ca -0.06 -0.39 -0.60 0.00 2.80 0.00 0.00 57.97 59.72 1ugk h PHE 73 Cb 0.98 -0.02 -0.28 0.00 2.20 0.00 0.00 35.95 38.84 1ugk h PHE 73 CO 0.46 1.45 -0.91 -0.25 -0.60 0.00 0.00 178.31 178.46 1ugk n ASP 74 N -3.99 -0.23 -4.29 2.17 8.00 0.22 -4.89 116.55 113.54 1ugk n ASP 74 Ca -0.19 -1.22 -0.26 0.00 0.71 0.00 0.00 54.79 53.83 1ugk n ASP 74 Cb 0.89 -1.53 0.16 0.00 -0.02 0.00 0.00 41.12 40.62 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 -0.66 -3.65 -1.24 1.02 -0.68 -4.83 120.64 106.37 1ugk n GLU 75 Ca -0.13 -2.45 -0.08 0.00 -0.02 0.00 0.00 57.16 54.48 1ugk n GLU 75 Cb 0.57 -1.00 -0.08 0.00 -0.02 0.00 0.00 31.44 30.92 1ugk n GLU 75 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1ugk s THR 76 N -3.51 -0.01 -0.13 2.62 2.01 -1.26 -1.70 115.64 113.67 1ugk s THR 76 Ca 0.71 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.75 1ugk s THR 76 Cb -0.03 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.55 1ugk s THR 76 CO 0.49 0.01 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.86 1ugk s PHE 77 N 1.60 2.50 -0.09 4.92 0.08 -1.24 -4.98 117.98 120.78 1ugk s PHE 77 Ca -0.10 -1.24 -0.05 0.00 0.12 0.00 0.00 56.93 55.65 1ugk s PHE 77 Cb -0.06 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 1ugk s PHE 77 CO -0.19 -0.58 0.13 0.99 -0.10 0.00 0.00 175.22 175.47 1ugk s THR 78 N 0.85 5.34 -0.04 0.64 2.01 -1.26 -2.69 115.64 120.49 1ugk s THR 78 Ca -0.07 0.07 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 1ugk s THR 78 Cb -0.15 -3.36 0.03 0.00 0.01 0.00 0.00 72.50 69.03 1ugk s THR 78 CO -0.02 0.55 0.05 -0.36 -0.69 0.00 0.00 174.62 174.16 1ugk s PHE 79 N -1.07 0.11 -0.21 4.92 0.08 -0.48 -4.98 117.98 116.34 1ugk s PHE 79 Ca 0.17 0.21 -0.10 0.00 0.12 0.00 0.00 56.93 57.33 1ugk s PHE 79 Cb -0.12 -0.48 -0.05 0.00 -0.57 0.00 0.00 43.02 41.80 1ugk s PHE 79 CO 0.07 -0.19 0.15 0.71 -0.10 0.00 0.00 175.22 175.86 1ugk s TYR 80 N 2.00 3.37 0.00 0.36 2.02 -1.26 -1.59 117.35 122.26 1ugk s TYR 80 Ca 0.03 0.30 0.00 0.00 -0.37 0.00 0.00 57.07 57.03 1ugk s TYR 80 Cb -0.12 -2.21 0.00 0.00 -0.40 0.00 0.00 41.96 39.23 1ugk s TYR 80 CO -0.03 0.20 0.00 0.41 -1.57 0.00 0.00 175.55 174.56 1ugk n GLY 81 N 3.82 2.19 3.64 0.71 0.00 -1.26 -5.07 105.19 109.23 1ugk n GLY 81 Ca -0.15 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1ugk n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ugk s ILE 82 N 0.00 3.08 -1.25 -0.61 1.09 -1.26 -4.81 121.20 117.45 1ugk s ILE 82 Ca 0.00 0.09 0.00 0.00 -1.10 0.00 0.00 60.65 59.64 1ugk s ILE 82 Cb 0.00 -3.07 0.00 0.00 -1.06 0.00 0.00 42.46 38.33 1ugk s ILE 82 CO 0.00 -0.02 0.47 -0.81 -0.10 0.00 0.00 174.94 174.47 1ugk n PRO 83 N 7.91 0.75 0.00 2.79 -0.04 -1.26 -4.44 135.00 140.71 1ugk n PRO 83 Ca 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1ugk n PRO 83 Cb 0.43 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.03 0.00 0.23 0.54 9.36 -1.26 -4.22 117.16 121.78 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 0.14 0.00 0.68 0.00 -0.63 0.00 0.00 39.34 39.53 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 0.00 2.97 1.35 -2.00 1.23 112.91 116.45 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 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 66.98 1ugk h THR 85 CO 0.00 0.00 -0.52 1.67 -0.25 0.00 0.00 175.52 176.42 1ugk n GLN 86 N -2.48 0.02 -0.34 4.72 7.27 -1.26 -3.92 117.38 121.39 1ugk n GLN 86 Ca -0.02 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.07 1ugk n GLN 86 Cb 0.21 -1.51 0.18 0.00 2.41 0.00 0.00 30.24 31.53 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 0.00 1.15 0.00 1.69 1.08 0.12 0.36 117.51 121.91 1ugk h ILE 87 Ca 0.00 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 64.07 1ugk h ILE 87 Cb 0.52 -0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.13 1ugk h ILE 87 CO 0.00 0.21 0.00 0.00 -0.69 0.00 0.00 178.15 177.67 1ugk n GLN 88 N -4.45 0.02 -0.33 2.37 6.02 -1.24 -0.57 117.38 119.20 1ugk n GLN 88 Ca 0.13 0.33 0.08 0.00 -0.01 0.00 0.00 57.00 57.53 1ugk n GLN 88 Cb 0.12 -1.50 0.24 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 -1.47 3.01 -2.90 -1.09 -0.58 0.12 -3.78 120.64 113.95 1ugk n GLU 89 Ca 0.02 -2.42 -0.15 0.00 -0.42 0.00 0.00 57.16 54.19 1ugk n GLU 89 Cb 0.09 -1.51 -0.00 0.00 -0.57 0.00 0.00 31.44 29.45 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 0.68 0.00 -3.25 -4.62 4.77 0.26 -4.29 117.00 110.55 1ugk n LEU 90 Ca 0.18 -1.66 0.03 0.00 -0.03 0.00 0.00 56.01 54.54 1ugk n LEU 90 Cb 0.61 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.66 1ugk n LEU 90 CO 0.13 -0.42 0.92 0.00 -1.33 0.00 0.00 177.39 176.69 1ugk s ALA 91 N -2.46 -3.19 -0.15 -1.18 0.00 0.38 -3.32 121.76 111.84 1ugk s ALA 91 Ca 0.16 1.82 -0.25 0.00 0.00 0.00 0.00 51.96 53.69 1ugk s ALA 91 Cb -0.01 -2.25 -0.02 0.00 0.00 0.00 0.00 23.12 20.84 1ugk s ALA 91 CO 0.10 -0.89 0.83 -0.51 0.00 0.00 0.00 175.76 175.30 1ugk s LEU 92 N 1.93 4.19 -0.42 0.00 1.43 -0.76 0.19 118.68 125.24 1ugk s LEU 92 Ca -0.01 1.20 -0.10 0.00 -1.03 0.00 0.00 54.13 54.19 1ugk s LEU 92 Cb -0.01 -3.25 0.07 0.00 0.03 0.00 0.00 46.19 43.04 1ugk s LEU 92 CO -0.15 -0.38 0.27 -2.28 0.23 0.00 0.00 176.35 174.04 1ugk s HIS 93 N 2.01 3.31 -0.56 0.29 2.46 -0.22 -0.77 115.29 121.81 1ugk s HIS 93 Ca 0.39 -1.39 -0.19 0.00 0.47 0.00 0.00 55.06 54.34 1ugk s HIS 93 Cb -0.17 -2.94 0.08 0.00 -0.13 0.00 0.00 32.58 29.43 1ugk s HIS 93 CO 0.13 -0.82 0.69 -0.06 -2.47 0.00 0.00 174.74 172.22 1ugk s PHE 94 N 1.47 2.99 -0.30 3.88 0.08 0.16 -3.09 117.98 123.17 1ugk s PHE 94 Ca 0.03 -0.76 -0.13 0.00 0.12 0.00 0.00 56.93 56.19 1ugk s PHE 94 Cb -0.23 -3.85 -0.03 0.00 -0.57 0.00 0.00 43.02 38.34 1ugk s PHE 94 CO 0.03 -1.22 0.29 0.99 -0.10 0.00 0.00 175.22 175.21 1ugk s THR 95 N 2.77 5.24 -1.07 0.64 2.01 -1.02 0.42 115.64 124.62 1ugk s THR 95 Ca 0.14 0.20 -0.18 0.00 0.31 0.00 0.00 61.69 62.16 1ugk s THR 95 Cb -0.22 -3.67 0.13 0.00 0.01 0.00 0.00 72.50 68.76 1ugk s THR 95 CO 0.09 0.11 1.32 -0.63 -0.69 0.00 0.00 174.62 174.82 1ugk s ILE 96 N 1.90 4.68 0.00 1.82 1.09 0.26 -1.46 121.20 129.49 1ugk s ILE 96 Ca 0.10 -1.86 0.00 0.00 -1.10 0.00 0.00 60.65 57.79 1ugk s ILE 96 Cb -0.16 -4.90 0.00 0.00 -1.06 0.00 0.00 42.46 36.34 1ugk s ILE 96 CO 0.11 -1.64 0.00 0.18 -0.10 0.00 0.00 174.94 173.48 1ugk n LEU 97 N 6.70 0.00 -3.69 2.97 4.32 -1.09 0.16 117.00 126.38 1ugk n LEU 97 Ca 0.32 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 56.16 1ugk n LEU 97 Cb 0.47 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.19 1ugk n LEU 97 CO 0.59 -0.25 0.16 -0.55 -1.22 0.00 0.00 177.39 176.11 1ugk s SER 98 N -1.00 -0.36 -0.53 -1.43 0.15 -0.43 -3.23 113.70 106.88 1ugk s SER 98 Ca 0.00 0.35 -0.28 0.00 0.70 0.00 0.00 55.95 56.73 1ugk s SER 98 Cb 0.00 0.44 0.01 0.00 -1.71 0.00 0.00 66.02 64.76 1ugk s SER 98 CO 0.00 -0.47 1.52 0.12 1.20 0.00 0.00 173.24 175.61 1ugk s PHE 99 N -1.13 2.16 -0.26 3.44 5.36 -1.03 -3.43 117.98 123.08 1ugk s PHE 99 Ca -0.11 0.55 -0.09 0.00 -0.96 0.00 0.00 56.93 56.31 1ugk s PHE 99 Cb -0.03 -4.32 -0.04 0.00 -0.34 0.00 0.00 43.02 38.29 1ugk s PHE 99 CO 0.06 -2.13 0.12 0.34 -1.46 0.00 0.00 175.22 172.14 1ugk s ASP 100 N 5.06 5.51 -0.72 6.13 -1.08 -1.26 -4.82 116.67 125.49 1ugk s ASP 100 Ca 0.58 -0.11 -0.06 0.00 -0.52 0.00 0.00 52.55 52.44 1ugk s ASP 100 Cb -0.13 -2.00 -0.09 0.00 -1.46 0.00 0.00 42.92 39.24 1ugk s ASP 100 CO 0.26 -0.03 2.35 -2.11 0.52 0.00 0.00 175.17 176.17 1ugk n ARG 101 N 4.88 2.05 -0.81 4.34 1.85 -1.26 -2.88 116.66 124.83 1ugk n ARG 101 Ca -0.15 -1.30 -0.04 0.00 -1.00 0.00 0.00 57.85 55.35 1ugk n ARG 101 Cb 0.52 -2.30 -0.04 0.00 -1.05 0.00 0.00 32.46 29.58 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 3.64 0.00 0.00 2.89 3.72 -1.26 -5.02 117.46 121.43 1ugk n PHE 102 Ca 0.44 -0.32 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 1ugk n PHE 102 Cb 0.29 0.41 0.00 0.00 -0.94 0.00 0.00 39.48 39.24 1ugk n PHE 102 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1ugk n SER 103 N 0.00 0.00 -4.12 4.37 7.64 -1.14 -4.90 113.62 115.48 1ugk n SER 103 Ca -0.18 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.34 1ugk n SER 103 Cb 0.54 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.83 1ugk n SER 103 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ugk n ARG 104 N 0.00 -0.60 -3.92 1.43 1.74 -1.26 -4.87 116.66 109.18 1ugk n ARG 104 Ca 0.00 -0.17 -0.21 0.00 -0.77 0.00 0.00 57.85 56.70 1ugk n ARG 104 Cb 0.00 -1.29 -0.17 0.00 -1.02 0.00 0.00 32.46 29.98 1ugk n ARG 104 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1ugk s ASP 105 N -1.35 1.21 -0.63 0.55 1.47 -1.26 -4.07 116.67 112.60 1ugk s ASP 105 Ca 0.44 -0.09 -0.24 0.00 1.18 0.00 0.00 52.55 53.84 1ugk s ASP 105 Cb -0.01 -0.41 0.05 0.00 -0.34 0.00 0.00 42.92 42.21 1ugk s ASP 105 CO 0.67 -0.14 1.03 -1.81 0.68 0.00 0.00 175.17 175.60 1ugk s ASP 106 N 1.49 6.25 -0.14 2.11 1.01 -1.22 -4.88 116.67 121.29 1ugk s ASP 106 Ca -0.02 -0.58 -0.29 0.00 0.71 0.00 0.00 52.55 52.36 1ugk s ASP 106 Cb -0.13 -2.46 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 1ugk s ASP 106 CO -0.03 -1.44 1.14 -0.63 0.21 0.00 0.00 175.17 174.43 1ugk s ILE 107 N 4.38 4.47 -0.14 0.77 1.01 -1.26 -1.31 121.20 129.12 1ugk s ILE 107 Ca 0.29 1.77 -0.14 0.00 0.00 0.00 0.00 60.65 62.57 1ugk s ILE 107 Cb -0.13 -4.14 -0.25 0.00 0.01 0.00 0.00 42.46 37.95 1ugk s ILE 107 CO 0.15 -0.08 0.39 0.40 0.00 0.00 0.00 174.94 175.80 1ugk h ILE 108 N 5.28 0.84 -2.39 2.92 2.04 0.13 -3.48 117.51 122.84 1ugk h ILE 108 Ca -0.28 -2.32 0.15 0.00 1.00 0.00 0.00 64.86 63.42 1ugk h ILE 108 Cb 1.12 2.50 -0.10 0.00 -0.74 0.00 0.00 36.82 39.60 1ugk h ILE 108 CO 0.93 0.67 0.46 -0.83 0.00 0.00 0.00 178.15 179.38 1ugk s GLY 109 N -5.17 -0.30 -0.08 5.37 0.00 -0.94 -4.72 107.32 101.48 1ugk s GLY 109 Ca -0.23 0.33 0.04 0.00 0.00 0.00 0.00 44.72 44.85 1ugk s GLY 109 CO 0.72 0.08 -0.20 -0.54 0.00 0.00 0.00 173.10 173.17 1ugk s GLU 110 N -3.30 2.50 0.04 2.90 2.02 -1.23 -0.57 118.70 121.06 1ugk s GLU 110 Ca 0.10 -0.72 0.07 0.00 0.02 0.00 0.00 54.97 54.44 1ugk s GLU 110 Cb -0.02 -1.96 -0.02 0.00 0.10 0.00 0.00 34.13 32.24 1ugk s GLU 110 CO -0.01 0.15 -0.19 0.08 0.02 0.00 0.00 175.26 175.32 1ugk s VAL 111 N 0.38 1.51 -0.01 2.63 1.01 0.17 -4.60 120.40 121.49 1ugk s VAL 111 Ca -0.15 -1.15 -0.01 0.00 0.00 0.00 0.00 61.98 60.66 1ugk s VAL 111 Cb -0.17 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.89 1ugk s VAL 111 CO 0.06 0.14 0.03 -0.22 0.00 0.00 0.00 175.10 175.12 1ugk s LEU 112 N -1.19 1.84 -0.32 3.92 2.96 -1.26 0.36 118.68 124.98 1ugk s LEU 112 Ca 0.06 0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 54.01 1ugk s LEU 112 Cb -0.09 0.10 0.11 0.00 0.50 0.00 0.00 46.19 46.82 1ugk s LEU 112 CO 0.02 -0.02 0.15 -0.51 -1.32 0.00 0.00 176.35 174.67 1ugk s ILE 113 N 0.07 0.29 -0.06 6.68 1.10 0.05 -4.98 121.20 124.35 1ugk s ILE 113 Ca -0.00 -1.23 -0.30 0.00 -0.51 0.00 0.00 60.65 58.60 1ugk s ILE 113 Cb -0.01 -1.24 -0.03 0.00 0.15 0.00 0.00 42.46 41.33 1ugk s ILE 113 CO -0.00 -0.78 1.22 -2.16 -2.11 0.00 0.00 174.94 171.11 1ugk s PRO 114 N 1.65 4.33 -0.07 3.50 0.04 -1.26 -1.82 135.00 141.37 1ugk s PRO 114 Ca 0.12 1.70 0.05 0.00 0.04 0.00 0.00 61.00 62.90 1ugk s PRO 114 Cb -0.18 -3.58 0.27 0.00 0.04 0.00 0.00 34.50 31.05 1ugk s PRO 114 CO -0.24 -0.48 0.95 1.28 0.04 0.00 0.00 177.00 178.55 1ugk n LEU 115 N 5.35 2.45 -3.06 -3.56 4.77 -1.21 -4.61 117.00 117.13 1ugk n LEU 115 Ca 0.11 -1.24 -0.18 0.00 -0.03 0.00 0.00 56.01 54.67 1ugk n LEU 115 Cb 0.46 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 1ugk n LEU 115 CO 0.56 0.37 2.11 -0.24 -1.33 0.00 0.00 177.39 178.86 1ugk n SER 116 N 0.21 4.30 0.00 -1.43 2.88 -1.25 -1.94 113.62 116.40 1ugk n SER 116 Ca 0.09 -2.26 0.00 0.00 -1.33 0.00 0.00 58.87 55.37 1ugk n SER 116 Cb 0.53 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 1ugk n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugk n GLY 117 N 3.67 0.50 3.58 0.46 0.00 -1.26 -5.01 105.19 107.13 1ugk n GLY 117 Ca 0.38 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 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 2.45 -3.70 -0.61 2.08 -0.82 -4.98 119.36 113.79 1ugk n ILE 118 Ca 0.00 -0.50 -0.29 0.00 0.56 0.00 0.00 62.75 62.52 1ugk n ILE 118 Cb 0.00 -1.03 -0.16 0.00 -0.75 0.00 0.00 39.64 37.70 1ugk n ILE 118 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1ugk s GLU 119 N -2.01 0.58 -0.03 0.38 2.02 -1.26 -4.91 118.70 113.46 1ugk s GLU 119 Ca 0.65 -0.67 0.18 0.00 0.02 0.00 0.00 54.97 55.15 1ugk s GLU 119 Cb -0.55 -1.90 0.57 0.00 0.10 0.00 0.00 34.13 32.36 1ugk s GLU 119 CO 0.56 -0.83 1.47 1.28 0.02 0.00 0.00 175.26 177.76 1ugk n LEU 120 N 5.02 3.60 0.26 1.80 7.99 -1.26 -4.42 117.00 129.98 1ugk n LEU 120 Ca -0.06 -1.81 -0.16 0.00 -0.01 0.00 0.00 56.01 53.97 1ugk n LEU 120 Cb 0.44 -0.46 -0.08 0.00 -0.11 0.00 0.00 43.42 43.22 1ugk n LEU 120 CO 0.11 0.79 0.61 -1.28 -1.51 0.00 0.00 177.39 176.11 1ugk h SER 121 N 3.61 -1.02 -0.42 -1.43 0.87 -1.93 -2.74 113.55 110.49 1ugk h SER 121 Ca 0.00 0.08 0.09 0.00 -1.23 0.00 0.00 61.79 60.73 1ugk h SER 121 Cb 0.98 0.33 -0.09 0.00 -0.44 0.00 0.00 62.40 63.18 1ugk h SER 121 CO 0.07 -0.54 -0.21 -0.33 -0.53 0.00 0.00 176.83 175.29 1ugk h GLU 122 N -0.81 -0.12 0.00 2.24 5.08 -2.01 -3.48 114.58 115.47 1ugk h GLU 122 Ca -0.04 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ugk h GLU 122 Cb 0.71 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1ugk h GLU 122 CO -0.04 -0.08 0.00 0.41 -1.00 0.00 0.00 179.01 178.30 1ugk n GLY 123 N -1.38 -0.74 3.64 -3.84 0.00 -1.03 -5.11 105.19 96.72 1ugk n GLY 123 Ca 0.03 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.93 4.13 -0.00 1.61 2.20 -1.26 -4.52 119.74 120.96 1ugk s LYS 124 Ca 0.00 0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.99 1ugk s LYS 124 Cb 0.00 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 1ugk s LYS 124 CO 0.00 -0.26 0.02 0.00 -0.36 0.00 0.00 175.35 174.75 1ugk s MET 125 N 1.99 2.85 -0.01 4.03 0.23 -1.12 -4.98 119.30 122.29 1ugk s MET 125 Ca 0.23 -0.58 -0.16 0.00 -1.03 0.00 0.00 55.69 54.15 1ugk s MET 125 Cb -0.15 -2.71 -0.06 0.00 -1.53 0.00 0.00 34.83 30.37 1ugk s MET 125 CO 0.09 0.63 0.43 -1.17 -2.03 0.00 0.00 175.02 172.97 1ugk s LEU 126 N -1.60 4.45 -0.02 0.18 1.98 -1.26 -2.47 118.68 119.94 1ugk s LEU 126 Ca 0.20 0.96 -0.05 0.00 -2.89 0.00 0.00 54.13 52.35 1ugk s LEU 126 Cb -0.12 -2.63 0.00 0.00 0.66 0.00 0.00 46.19 44.11 1ugk s LEU 126 CO 0.11 0.27 0.11 -0.04 -1.89 0.00 0.00 176.35 174.91 1ugk s MET 127 N -0.80 0.32 0.04 1.98 -1.94 0.10 -4.98 119.30 114.02 1ugk s MET 127 Ca 0.24 -0.18 0.02 0.00 -1.71 0.00 0.00 55.69 54.07 1ugk s MET 127 Cb -0.17 0.13 -0.02 0.00 2.01 0.00 0.00 34.83 36.78 1ugk s MET 127 CO 0.13 -0.06 -0.08 0.54 -0.01 0.00 0.00 175.02 175.54 1ugk s ASN 128 N -0.78 0.91 0.01 3.03 2.20 -1.26 -1.31 114.94 117.74 1ugk s ASN 128 Ca -0.09 -0.52 0.00 0.00 -0.94 0.00 0.00 52.86 51.31 1ugk s ASN 128 Cb -0.05 0.02 -0.01 0.00 -2.00 0.00 0.00 41.25 39.21 1ugk s ASN 128 CO 0.01 -0.17 -0.02 -0.13 -2.94 0.00 0.00 177.10 173.84 1ugk s ARG 129 N -1.49 0.19 0.38 3.55 1.81 -0.69 -4.98 118.95 117.72 1ugk s ARG 129 Ca -0.08 -0.28 -0.23 0.00 -1.72 0.00 0.00 55.73 53.41 1ugk s ARG 129 Cb -0.09 -0.03 -0.10 0.00 -0.45 0.00 0.00 34.95 34.27 1ugk s ARG 129 CO 0.01 -0.00 0.94 -1.83 -0.68 0.00 0.00 175.30 173.74 1ugk s GLU 130 N -0.62 4.39 -0.23 3.54 -1.05 -1.26 -1.14 118.70 122.33 1ugk s GLU 130 Ca -0.06 1.21 -0.06 0.00 -0.15 0.00 0.00 54.97 55.90 1ugk s GLU 130 Cb -0.04 -2.47 -0.03 0.00 -0.44 0.00 0.00 34.13 31.15 1ugk s GLU 130 CO -0.00 0.12 0.04 0.42 0.95 0.00 0.00 175.26 176.79 1ugk s ILE 131 N -1.91 4.22 0.07 1.83 1.01 0.13 -4.88 121.20 121.67 1ugk s ILE 131 Ca 0.56 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 61.01 1ugk s ILE 131 Cb -0.13 -2.94 -0.00 0.00 0.01 0.00 0.00 42.46 39.39 1ugk s ILE 131 CO 0.18 0.38 0.04 2.30 0.00 0.00 0.00 174.94 177.85 1ugk n ILE 132 N 4.55 0.00 -2.97 2.92 -6.64 -1.26 -2.99 119.36 112.98 1ugk n ILE 132 Ca -0.17 -0.45 -0.44 0.00 -1.77 0.00 0.00 62.75 59.92 1ugk n ILE 132 Cb 0.52 0.20 -0.00 0.00 -1.44 0.00 0.00 39.64 38.92 1ugk n ILE 132 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 1ugk s SER 133 N -1.45 7.06 0.63 7.28 0.15 -1.26 -3.48 113.70 122.63 1ugk s SER 133 Ca 0.06 -2.98 0.00 0.00 0.70 0.00 0.00 55.95 53.73 1ugk s SER 133 Cb 0.00 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1ugk s SER 133 CO 0.04 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.36 1ugk n GLY 134 N 4.10 -3.66 3.57 9.45 0.00 -1.26 -4.40 105.19 112.99 1ugk n GLY 134 Ca 0.35 -0.94 -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 -4.80 3.22 -1.13 1.61 0.04 -1.26 -4.88 135.00 127.79 1ugk s PRO 135 Ca 0.00 -1.38 -0.22 0.00 0.04 0.00 0.00 61.00 59.44 1ugk s PRO 135 Cb 0.00 -5.35 -0.05 0.00 0.04 0.00 0.00 34.50 29.14 1ugk s PRO 135 CO 0.00 -3.03 1.88 0.45 0.04 0.00 0.00 177.00 176.35 1ugk s SER 136 N 5.61 5.39 0.93 6.66 0.15 -1.26 -4.93 113.70 126.25 1ugk s SER 136 Ca 0.60 -1.54 -0.15 0.00 0.70 0.00 0.00 55.95 55.56 1ugk s SER 136 Cb 0.00 -2.58 -0.06 0.00 -1.71 0.00 0.00 66.02 61.67 1ugk s SER 136 CO 0.07 -2.65 -0.14 -0.24 1.20 0.00 0.00 173.24 171.48 1ugk n SER 137 N 13.13 -3.83 0.00 5.45 2.88 -1.26 -5.21 113.62 124.78 1ugk n SER 137 Ca 0.44 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 1ugk n SER 137 Cb 0.47 -1.00 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 1ugk n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42