#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 -6.66 -4.54 1.61 7.64 -1.26 -4.76 113.62 105.64 1ugk n SER 2 Ca 0.00 0.65 -0.37 0.00 1.01 0.00 0.00 58.87 60.17 1ugk n SER 2 Cb 0.00 -4.41 -0.05 0.00 -1.01 0.00 0.00 64.21 58.74 1ugk n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ugk n SER 3 N -0.05 2.04 0.00 6.43 7.64 -1.26 -4.19 113.62 124.24 1ugk n SER 3 Ca 0.06 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.53 1ugk n SER 3 Cb 0.24 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 61.94 1ugk n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugk n GLY 4 N 6.08 1.36 3.11 0.23 0.00 -1.26 -4.84 105.19 109.87 1ugk n GLY 4 Ca 0.41 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 1ugk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ugk s SER 5 N -4.00 1.68 0.12 1.61 0.15 -1.26 -5.02 113.70 106.98 1ugk s SER 5 Ca 0.00 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1ugk s SER 5 Cb 0.00 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1ugk s SER 5 CO 0.00 0.17 0.00 -0.24 1.20 0.00 0.00 173.24 174.37 1ugk n SER 6 N 2.70 -0.20 -0.97 5.45 2.88 -1.26 -5.06 113.62 117.16 1ugk n SER 6 Ca -0.14 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1ugk n SER 6 Cb 0.55 0.30 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 1ugk n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugk n GLY 7 N 1.26 -3.70 0.00 0.46 0.00 -1.26 -4.99 105.19 96.96 1ugk n GLY 7 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1ugk n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ugk n LEU 8 N -1.84 0.84 0.00 0.99 4.77 -1.24 -4.96 117.00 115.57 1ugk n LEU 8 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ugk n LEU 8 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1ugk n LEU 8 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1ugk n GLY 9 N 2.56 0.93 3.36 -0.72 0.00 -1.02 -4.10 105.19 106.21 1ugk n GLY 9 Ca 0.00 -0.85 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.31 1.68 0.02 2.61 2.01 -0.25 0.34 115.64 119.74 1ugk s THR 10 Ca 0.00 -2.19 0.09 0.00 0.31 0.00 0.00 61.69 59.90 1ugk s THR 10 Cb 0.00 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 1ugk s THR 10 CO 0.00 -0.53 -0.25 -0.22 -0.69 0.00 0.00 174.62 172.93 1ugk s LEU 11 N -3.34 2.18 -0.00 4.42 2.96 0.20 -2.67 118.68 122.43 1ugk s LEU 11 Ca 0.24 -0.53 0.05 0.00 -0.22 0.00 0.00 54.13 53.67 1ugk s LEU 11 Cb 0.00 -1.33 -0.02 0.00 0.50 0.00 0.00 46.19 45.35 1ugk s LEU 11 CO 0.08 0.28 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.85 1ugk s PHE 12 N -0.76 1.54 0.09 5.38 0.08 -1.06 -1.01 117.98 122.24 1ugk s PHE 12 Ca 0.11 -0.30 -0.27 0.00 0.12 0.00 0.00 56.93 56.59 1ugk s PHE 12 Cb -0.10 -0.97 0.09 0.00 -0.57 0.00 0.00 43.02 41.46 1ugk s PHE 12 CO 0.01 -0.01 1.10 -0.59 -0.10 0.00 0.00 175.22 175.64 1ugk s PHE 13 N -0.49 -0.07 -0.12 0.36 -0.71 -0.44 -1.25 117.98 115.26 1ugk s PHE 13 Ca 0.06 -0.17 -0.04 0.00 -1.04 0.00 0.00 56.93 55.75 1ugk s PHE 13 Cb -0.07 0.61 0.06 0.00 -1.21 0.00 0.00 43.02 42.41 1ugk s PHE 13 CO -0.00 -0.62 0.19 -1.54 -1.34 0.00 0.00 175.22 171.91 1ugk s SER 14 N -3.04 0.87 0.26 1.98 1.04 -0.80 -0.17 113.70 113.85 1ugk s SER 14 Ca 0.15 0.23 -0.29 0.00 0.48 0.00 0.00 55.95 56.51 1ugk s SER 14 Cb 0.01 0.37 -0.09 0.00 0.10 0.00 0.00 66.02 66.40 1ugk s SER 14 CO 0.00 -0.27 0.94 -0.76 0.98 0.00 0.00 173.24 174.14 1ugk s LEU 15 N 2.32 4.56 -0.20 2.42 1.43 -1.02 -2.41 118.68 125.78 1ugk s LEU 15 Ca 0.04 1.92 -0.06 0.00 -1.03 0.00 0.00 54.13 54.99 1ugk s LEU 15 Cb -0.13 -3.73 0.10 0.00 0.03 0.00 0.00 46.19 42.45 1ugk s LEU 15 CO -0.08 0.09 0.40 -0.70 0.23 0.00 0.00 176.35 176.29 1ugk s GLU 16 N -1.44 0.31 -0.18 1.70 2.12 0.19 -2.72 118.70 118.68 1ugk s GLU 16 Ca 0.44 0.93 -0.11 0.00 0.36 0.00 0.00 54.97 56.59 1ugk s GLU 16 Cb -0.24 0.17 -0.05 0.00 0.26 0.00 0.00 34.13 34.27 1ugk s GLU 16 CO 0.30 -0.32 0.18 -0.47 -0.54 0.00 0.00 175.26 174.40 1ugk s TYR 17 N 2.59 3.44 -1.02 5.30 5.04 -1.26 0.20 117.35 131.63 1ugk s TYR 17 Ca 0.01 0.42 -0.22 0.00 -2.44 0.00 0.00 57.07 54.84 1ugk s TYR 17 Cb -0.13 -2.19 0.06 0.00 0.35 0.00 0.00 41.96 40.05 1ugk s TYR 17 CO -0.13 0.31 1.43 1.21 -1.34 0.00 0.00 175.55 177.03 1ugk s ASN 18 N 0.28 6.54 0.14 4.32 2.47 0.51 -4.82 114.94 124.37 1ugk s ASN 18 Ca 0.11 -1.58 -0.17 0.00 0.42 0.00 0.00 52.86 51.64 1ugk s ASN 18 Cb -0.12 -2.55 -0.01 0.00 -1.45 0.00 0.00 41.25 37.12 1ugk s ASN 18 CO 0.00 -1.44 1.77 -0.26 -3.72 0.00 0.00 177.10 173.45 1ugk h PHE 19 N 9.56 0.46 -0.72 0.43 -1.00 -1.93 2.14 116.94 125.89 1ugk h PHE 19 Ca 0.21 -0.00 0.14 0.00 2.81 0.00 0.00 57.97 61.13 1ugk h PHE 19 Cb 1.00 -0.15 -0.14 0.00 3.61 0.00 0.00 35.95 40.28 1ugk h PHE 19 CO 1.27 0.33 -0.18 1.49 -1.61 0.00 0.00 178.31 179.62 1ugk h GLU 20 N 0.45 0.00 -0.37 1.51 4.57 -1.96 0.18 114.58 118.96 1ugk h GLU 20 Ca 0.12 -0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.22 1ugk h GLU 20 Cb 0.01 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.55 1ugk h GLU 20 CO -0.02 0.00 0.03 0.54 -1.18 0.00 0.00 179.01 178.38 1ugk n ARG 21 N -5.47 2.79 -3.50 1.92 1.74 -1.05 -4.98 116.66 108.10 1ugk n ARG 21 Ca 0.10 -2.97 -0.19 0.00 -0.77 0.00 0.00 57.85 54.01 1ugk n ARG 21 Cb 0.37 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 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 -0.61 -1.13 -4.35 5.56 5.02 0.60 -4.84 118.16 118.41 1ugk n LYS 22 Ca 0.28 0.53 -0.18 0.00 -2.02 0.00 0.00 58.31 56.92 1ugk n LYS 22 Cb 1.02 -1.66 -0.10 0.00 -0.02 0.00 0.00 35.03 34.27 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 -2.79 1.91 -0.13 7.82 0.00 0.52 -4.28 121.76 124.81 1ugk s ALA 23 Ca 0.02 -1.84 0.03 0.00 0.00 0.00 0.00 51.96 50.16 1ugk s ALA 23 Cb -0.01 1.00 0.01 0.00 0.00 0.00 0.00 23.12 24.12 1ugk s ALA 23 CO 0.68 -0.44 -0.21 0.12 0.00 0.00 0.00 175.76 175.91 1ugk s PHE 24 N -3.64 2.52 -0.22 0.00 5.36 0.01 0.19 117.98 122.21 1ugk s PHE 24 Ca 0.37 -1.22 0.02 0.00 -0.96 0.00 0.00 56.93 55.14 1ugk s PHE 24 Cb 0.07 -1.72 0.04 0.00 -0.34 0.00 0.00 43.02 41.07 1ugk s PHE 24 CO 0.15 -0.55 -0.15 0.08 -1.46 0.00 0.00 175.22 173.28 1ugk s VAL 25 N 0.75 2.15 -0.59 3.12 1.01 0.52 -0.59 120.40 126.78 1ugk s VAL 25 Ca -0.09 -1.29 -0.07 0.00 0.00 0.00 0.00 61.98 60.53 1ugk s VAL 25 Cb -0.16 -2.10 0.15 0.00 0.00 0.00 0.00 36.38 34.28 1ugk s VAL 25 CO 0.00 0.24 0.44 -0.69 0.00 0.00 0.00 175.10 175.09 1ugk s VAL 26 N 1.20 4.15 -0.06 2.92 1.01 -0.71 0.56 120.40 129.46 1ugk s VAL 26 Ca -0.02 -2.40 -0.30 0.00 0.00 0.00 0.00 61.98 59.26 1ugk s VAL 26 Cb -0.17 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1ugk s VAL 26 CO -0.09 -0.85 1.04 0.21 0.00 0.00 0.00 175.10 175.42 1ugk s ASN 27 N 1.71 7.23 -0.47 3.32 3.84 -1.01 -3.18 114.94 126.39 1ugk s ASN 27 Ca 0.12 1.64 -0.12 0.00 0.21 0.00 0.00 52.86 54.71 1ugk s ASN 27 Cb -0.21 -2.56 0.10 0.00 -0.55 0.00 0.00 41.25 38.03 1ugk s ASN 27 CO -0.04 -0.43 0.37 -0.63 -2.79 0.00 0.00 177.10 173.58 1ugk s ILE 28 N 1.74 4.72 0.00 -5.21 1.01 0.23 -1.90 121.20 121.79 1ugk s ILE 28 Ca 0.51 -1.40 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1ugk s ILE 28 Cb -0.21 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.33 1ugk s ILE 28 CO 0.22 -0.66 0.00 1.17 0.00 0.00 0.00 174.94 175.67 1ugk n LYS 29 N 5.07 2.51 -4.32 2.79 3.00 -0.38 0.40 118.16 127.22 1ugk n LYS 29 Ca -0.11 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 57.93 1ugk n LYS 29 Cb 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.37 1ugk n LYS 29 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1ugk s GLU 30 N 0.00 2.15 0.00 1.64 -1.05 -1.24 -0.95 118.70 119.25 1ugk s GLU 30 Ca 0.00 -2.00 0.08 0.00 -0.15 0.00 0.00 54.97 52.90 1ugk s GLU 30 Cb 0.00 -1.84 -0.02 0.00 -0.44 0.00 0.00 34.13 31.82 1ugk s GLU 30 CO 0.00 -0.16 -0.25 0.00 0.95 0.00 0.00 175.26 175.80 1ugk s ALA 31 N -2.68 2.26 -0.01 -0.84 0.00 -1.09 -2.58 121.76 116.82 1ugk s ALA 31 Ca 0.35 -1.16 0.05 0.00 0.00 0.00 0.00 51.96 51.19 1ugk s ALA 31 Cb 0.05 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 1ugk s ALA 31 CO 0.19 0.54 -0.17 1.03 0.00 0.00 0.00 175.76 177.35 1ugk s ARG 32 N -0.88 1.37 0.00 0.00 0.52 -1.09 -3.86 118.95 115.01 1ugk s ARG 32 Ca 0.11 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.72 1ugk s ARG 32 Cb -0.10 -1.32 0.00 0.00 0.52 0.00 0.00 34.95 34.05 1ugk s ARG 32 CO 0.01 0.36 0.00 0.41 0.02 0.00 0.00 175.30 176.09 1ugk n GLY 33 N 2.68 -0.13 3.13 -3.53 0.00 -1.26 -1.09 105.19 105.00 1ugk n GLY 33 Ca -0.15 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.59 2.45 0.00 0.99 1.43 -1.00 -2.42 118.68 118.54 1ugk s LEU 34 Ca 0.00 -0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 52.05 1ugk s LEU 34 Cb 0.00 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 1ugk s LEU 34 CO 0.00 -0.04 1.19 -2.16 0.23 0.00 0.00 176.35 175.58 1ugk s PRO 35 N 1.28 4.40 0.90 1.29 0.04 -1.26 -4.69 135.00 136.95 1ugk s PRO 35 Ca 0.03 1.71 -0.15 0.00 0.04 0.00 0.00 61.00 62.62 1ugk s PRO 35 Cb -0.14 -3.46 -0.07 0.00 0.04 0.00 0.00 34.50 30.87 1ugk s PRO 35 CO -0.11 -0.34 -0.13 0.00 0.04 0.00 0.00 177.00 176.46 1ugk n ALA 36 N 4.57 -3.70 -0.02 8.56 0.00 -1.26 -4.95 120.51 123.70 1ugk n ALA 36 Ca 0.10 -0.54 -0.04 0.00 0.00 0.00 0.00 53.44 52.95 1ugk n ALA 36 Cb 0.46 -1.50 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 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 0.48 0.12 -4.09 0.00 2.81 -1.26 -5.04 117.12 110.14 1ugk n MET 37 Ca 0.04 0.04 -0.27 0.00 -1.81 0.00 0.00 57.70 55.70 1ugk n MET 37 Cb 0.53 -0.92 -0.06 0.00 -0.71 0.00 0.00 33.22 32.07 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 -4.90 5.47 -0.55 7.83 1.01 -1.26 -5.01 116.67 119.26 1ugk s ASP 38 Ca -0.07 -0.14 0.01 0.00 0.71 0.00 0.00 52.55 53.07 1ugk s ASP 38 Cb 0.02 -1.42 0.57 0.00 1.01 0.00 0.00 42.92 43.10 1ugk s ASP 38 CO 0.10 0.08 1.97 -0.62 0.21 0.00 0.00 175.17 176.91 1ugk n GLU 39 N -0.27 2.45 0.00 8.23 1.02 -1.26 -4.29 120.64 126.52 1ugk n GLU 39 Ca -0.08 -3.14 0.00 0.00 -0.02 0.00 0.00 57.16 53.91 1ugk n GLU 39 Cb 0.54 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 1ugk n GLU 39 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1ugk n GLN 40 N -1.04 0.00 -2.23 3.49 1.13 -1.26 -4.71 117.38 112.76 1ugk n GLN 40 Ca 0.61 0.06 -0.18 0.00 -1.94 0.00 0.00 57.00 55.55 1ugk n GLN 40 Cb 1.21 -0.55 0.03 0.00 0.11 0.00 0.00 30.24 31.04 1ugk n GLN 40 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1ugk n SER 41 N -0.71 4.11 -3.85 1.08 2.88 -1.26 -4.98 113.62 110.89 1ugk n SER 41 Ca 0.00 -3.33 -0.35 0.00 -1.33 0.00 0.00 58.87 53.86 1ugk n SER 41 Cb 0.00 -0.38 0.02 0.00 -0.75 0.00 0.00 64.21 63.10 1ugk n SER 41 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1ugk n MET 42 N -0.68 -0.87 -3.61 -1.46 1.56 -1.26 -4.95 117.12 105.84 1ugk n MET 42 Ca 0.35 0.42 -0.05 0.00 -0.27 0.00 0.00 57.70 58.15 1ugk n MET 42 Cb 0.92 -3.02 -0.04 0.00 2.15 0.00 0.00 33.22 33.23 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 -3.34 0.00 0.32 1.12 -1.32 -1.26 -4.89 115.64 106.27 1ugk s THR 43 Ca 0.33 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.85 1ugk s THR 43 Cb -0.16 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.81 1ugk s THR 43 CO 0.91 0.00 0.33 -0.94 -2.21 0.00 0.00 174.62 172.71 1ugk s SER 44 N -1.33 1.29 -0.74 8.08 1.04 -1.26 -4.44 113.70 116.34 1ugk s SER 44 Ca 0.06 -1.63 0.04 0.00 0.48 0.00 0.00 55.95 54.89 1ugk s SER 44 Cb -0.01 0.57 0.23 0.00 0.10 0.00 0.00 66.02 66.91 1ugk s SER 44 CO -0.04 -1.11 0.75 0.47 0.98 0.00 0.00 173.24 174.29 1ugk n ASP 45 N -1.38 3.88 -4.77 7.02 8.00 -1.26 -0.78 116.55 127.25 1ugk n ASP 45 Ca 0.05 -3.33 -0.38 0.00 0.71 0.00 0.00 54.79 51.84 1ugk n ASP 45 Cb 0.62 -0.81 -0.04 0.00 -0.02 0.00 0.00 41.12 40.87 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 -2.07 4.34 -0.11 -0.24 0.04 -1.26 -3.43 135.00 132.27 1ugk s PRO 46 Ca 0.33 1.61 -0.10 0.00 0.04 0.00 0.00 61.00 62.88 1ugk s PRO 46 Cb 0.05 -2.78 0.03 0.00 0.04 0.00 0.00 34.50 31.85 1ugk s PRO 46 CO -0.06 -0.01 0.29 1.52 0.04 0.00 0.00 177.00 178.78 1ugk s TYR 47 N -1.48 -0.32 -0.02 0.56 1.13 -0.09 -4.05 117.35 113.08 1ugk s TYR 47 Ca 0.53 0.78 -0.17 0.00 -1.41 0.00 0.00 57.07 56.80 1ugk s TYR 47 Cb -0.25 0.11 -0.05 0.00 -1.10 0.00 0.00 41.96 40.66 1ugk s TYR 47 CO 0.32 -0.16 0.46 0.42 -2.51 0.00 0.00 175.55 174.09 1ugk s ILE 48 N 0.18 5.02 -0.23 -3.49 1.01 -1.26 -2.58 121.20 119.85 1ugk s ILE 48 Ca -0.00 0.95 -0.09 0.00 0.00 0.00 0.00 60.65 61.51 1ugk s ILE 48 Cb -0.02 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 1ugk s ILE 48 CO 0.00 0.50 0.12 -0.54 0.00 0.00 0.00 174.94 175.02 1ugk s LYS 49 N -0.57 3.97 -0.01 2.79 1.02 -0.80 -3.73 119.74 122.41 1ugk s LYS 49 Ca 0.25 -0.32 -0.08 0.00 0.02 0.00 0.00 55.97 55.83 1ugk s LYS 49 Cb -0.17 -3.42 -0.05 0.00 -0.52 0.00 0.00 37.83 33.67 1ugk s LYS 49 CO 0.14 0.07 0.28 1.41 -0.92 0.00 0.00 175.35 176.33 1ugk s MET 50 N 0.99 3.63 -0.21 1.68 1.75 0.37 -2.74 119.30 124.78 1ugk s MET 50 Ca 0.06 0.03 -0.14 0.00 -1.25 0.00 0.00 55.69 54.40 1ugk s MET 50 Cb -0.14 -3.12 0.06 0.00 2.84 0.00 0.00 34.83 34.48 1ugk s MET 50 CO 0.04 0.67 0.52 0.99 -0.65 0.00 0.00 175.02 176.59 1ugk s THR 51 N -1.22 -0.01 -0.54 10.11 2.01 -1.24 -2.42 115.64 122.33 1ugk s THR 51 Ca 0.25 0.04 -0.22 0.00 0.31 0.00 0.00 61.69 62.08 1ugk s THR 51 Cb -0.14 -0.76 0.05 0.00 0.01 0.00 0.00 72.50 71.67 1ugk s THR 51 CO 0.13 0.02 0.80 -0.63 -0.69 0.00 0.00 174.62 174.25 1ugk s ILE 52 N 1.19 4.61 0.35 1.82 1.01 -0.88 -1.92 121.20 127.37 1ugk s ILE 52 Ca -0.07 -0.15 -0.05 0.00 0.00 0.00 0.00 60.65 60.37 1ugk s ILE 52 Cb -0.06 -4.45 -0.05 0.00 0.01 0.00 0.00 42.46 37.91 1ugk s ILE 52 CO -0.11 -1.01 0.63 -0.76 0.00 0.00 0.00 174.94 173.69 1ugk s LEU 53 N 3.34 3.94 -0.07 2.97 2.01 0.53 0.20 118.68 131.61 1ugk s LEU 53 Ca 0.22 0.80 -0.26 0.00 0.01 0.00 0.00 54.13 54.90 1ugk s LEU 53 Cb -0.16 -3.65 -0.23 0.00 0.01 0.00 0.00 46.19 42.15 1ugk s LEU 53 CO 0.15 -0.30 1.03 1.55 1.01 0.00 0.00 176.35 179.78 1ugk h PRO 54 N 1.27 0.05 0.00 1.29 0.13 -1.85 0.19 132.00 133.08 1ugk h PRO 54 Ca -0.48 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1ugk h PRO 54 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ugk h PRO 54 CO 0.64 0.79 0.00 -0.85 -0.23 0.00 0.00 178.00 178.35 1ugk n GLU 55 N -4.67 0.00 -0.18 0.86 0.28 -1.24 -4.62 120.64 111.07 1ugk n GLU 55 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 1ugk n GLU 55 Cb 0.40 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.27 1ugk n GLU 55 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1ugk n LYS 56 N -0.81 0.00 0.00 3.44 4.81 0.55 -4.97 118.16 121.17 1ugk n LYS 56 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ugk n LYS 56 Cb 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 35.03 34.19 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 -2.00 0.00 -1.48 1.64 4.76 -1.25 -4.37 118.16 115.46 1ugk n LYS 57 Ca 0.00 0.02 -0.37 0.00 -2.87 0.00 0.00 58.31 55.09 1ugk n LYS 57 Cb 0.00 -0.67 -0.16 0.00 -1.84 0.00 0.00 35.03 32.36 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 -0.19 0.44 -4.28 2.13 8.25 -1.26 -4.81 115.22 115.50 1ugk n HIS 58 Ca 0.00 0.30 -0.33 0.00 -0.26 0.00 0.00 57.72 57.43 1ugk n HIS 58 Cb 0.00 -1.98 -0.16 0.00 1.12 0.00 0.00 29.99 28.97 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 8.47 3.02 0.09 -0.41 1.02 -1.26 -2.07 119.74 128.61 1ugk s LYS 59 Ca 1.33 -0.83 0.05 0.00 0.02 0.00 0.00 55.97 56.54 1ugk s LYS 59 Cb -1.16 -2.55 -0.03 0.00 -0.52 0.00 0.00 37.83 33.57 1ugk s LYS 59 CO 0.50 -0.15 -0.13 0.14 -0.92 0.00 0.00 175.35 174.79 1ugk s VAL 60 N 1.14 1.12 0.25 3.17 -7.23 -1.02 -5.03 120.40 112.82 1ugk s VAL 60 Ca 0.01 -1.52 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 1ugk s VAL 60 Cb -0.14 -1.28 -0.05 0.00 0.56 0.00 0.00 36.38 35.47 1ugk s VAL 60 CO -0.09 -0.38 0.05 -1.59 -0.31 0.00 0.00 175.10 172.78 1ugk s LYS 61 N -2.30 1.40 0.84 4.82 -2.85 -1.26 -0.48 119.74 119.91 1ugk s LYS 61 Ca 0.03 -1.74 -0.09 0.00 -1.00 0.00 0.00 55.97 53.18 1ugk s LYS 61 Cb -0.07 -0.48 0.16 0.00 -2.06 0.00 0.00 37.83 35.38 1ugk s LYS 61 CO 0.02 -0.20 1.16 0.95 0.10 0.00 0.00 175.35 177.38 1ugk s THR 62 N -3.56 2.07 -2.00 3.79 -4.23 -1.24 -4.93 115.64 105.54 1ugk s THR 62 Ca 0.33 -0.28 0.20 0.00 -1.18 0.00 0.00 61.69 60.76 1ugk s THR 62 Cb 0.07 -2.79 0.56 0.00 1.34 0.00 0.00 72.50 71.68 1ugk s THR 62 CO 0.11 0.00 1.57 -1.14 -0.54 0.00 0.00 174.62 174.63 1ugk n ARG 63 N -3.30 0.63 -2.77 3.99 0.63 -1.26 -4.93 116.66 109.65 1ugk n ARG 63 Ca 0.15 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 57.04 1ugk n ARG 63 Cb 0.60 -1.49 -0.03 0.00 0.45 0.00 0.00 32.46 31.99 1ugk n ARG 63 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1ugk n VAL 64 N -0.99 -8.53 -0.78 5.15 0.31 -1.26 -4.90 118.33 107.33 1ugk n VAL 64 Ca 0.15 1.78 -0.31 0.00 -0.01 0.00 0.00 64.34 65.95 1ugk n VAL 64 Cb 0.07 -5.04 0.16 0.00 -0.91 0.00 0.00 33.84 28.12 1ugk n VAL 64 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1ugk s LEU 65 N -0.42 2.65 -0.35 7.52 2.01 -1.26 -4.99 118.68 123.85 1ugk s LEU 65 Ca -0.18 2.05 -0.02 0.00 0.01 0.00 0.00 54.13 55.99 1ugk s LEU 65 Cb 0.01 -4.42 0.08 0.00 0.01 0.00 0.00 46.19 41.87 1ugk s LEU 65 CO 0.49 -3.05 0.08 -0.13 1.01 0.00 0.00 176.35 174.75 1ugk s ARG 66 N -4.68 2.18 -0.03 1.70 1.81 -1.26 -4.51 118.95 114.15 1ugk s ARG 66 Ca 0.66 -1.53 -0.03 0.00 -1.72 0.00 0.00 55.73 53.11 1ugk s ARG 66 Cb -0.22 -3.34 0.01 0.00 -0.45 0.00 0.00 34.95 30.95 1ugk s ARG 66 CO 0.58 -0.82 0.06 1.63 -0.68 0.00 0.00 175.30 176.07 1ugk n LYS 67 N 4.58 -4.86 0.00 3.54 5.02 -1.02 -4.98 118.16 120.43 1ugk n LYS 67 Ca -0.07 3.55 0.00 0.00 -2.02 0.00 0.00 58.31 59.77 1ugk n LYS 67 Cb 0.42 -4.63 0.00 0.00 -0.02 0.00 0.00 35.03 30.80 1ugk n LYS 67 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1ugk n THR 68 N 1.85 0.00 0.92 -0.18 5.66 0.04 -4.86 114.28 117.70 1ugk n THR 68 Ca -0.10 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 60.99 1ugk n THR 68 Cb 0.16 0.00 0.49 0.00 -1.55 0.00 0.00 70.33 69.42 1ugk n THR 68 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1ugk n LEU 69 N 0.00 0.00 -3.13 1.09 7.99 -1.26 -3.53 117.00 118.15 1ugk n LEU 69 Ca 0.00 0.27 -0.22 0.00 -0.01 0.00 0.00 56.01 56.05 1ugk n LEU 69 Cb 0.00 -0.27 -0.05 0.00 -0.11 0.00 0.00 43.42 42.99 1ugk n LEU 69 CO 0.00 -0.10 -0.23 -0.90 -1.51 0.00 0.00 177.39 174.65 1ugk n ASP 70 N -1.27 -0.20 -4.80 -1.43 5.68 -1.26 -2.39 116.55 110.87 1ugk n ASP 70 Ca 0.09 -2.78 -0.30 0.00 -0.50 0.00 0.00 54.79 51.30 1ugk n ASP 70 Cb 0.15 -0.32 0.09 0.00 -1.14 0.00 0.00 41.12 39.91 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 -0.98 2.01 -0.24 0.11 0.04 -1.23 -4.92 135.00 129.78 1ugk s PRO 71 Ca 0.35 0.62 -0.04 0.00 0.04 0.00 0.00 61.00 61.96 1ugk s PRO 71 Cb 0.18 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.90 1ugk s PRO 71 CO -0.13 -1.66 0.11 0.00 0.04 0.00 0.00 177.00 175.36 1ugk s ALA 72 N -3.16 0.63 -0.17 8.56 0.00 -1.26 -2.67 121.76 123.68 1ugk s ALA 72 Ca 0.61 -0.83 -0.25 0.00 0.00 0.00 0.00 51.96 51.50 1ugk s ALA 72 Cb -0.14 -1.27 -0.23 0.00 0.00 0.00 0.00 23.12 21.48 1ugk s ALA 72 CO 0.54 -1.46 0.50 0.74 0.00 0.00 0.00 175.76 176.09 1ugk h PHE 73 N 8.39 0.04 -6.96 0.00 0.04 -1.78 -3.48 116.94 113.19 1ugk h PHE 73 Ca -0.18 -0.03 -0.59 0.00 2.80 0.00 0.00 57.97 59.98 1ugk h PHE 73 Cb 1.07 -0.00 -0.27 0.00 2.20 0.00 0.00 35.95 38.94 1ugk h PHE 73 CO 0.24 1.27 -0.89 -3.47 -0.60 0.00 0.00 178.31 174.87 1ugk n ASP 74 N -4.47 -1.96 -4.88 2.17 -0.08 0.16 -4.90 116.55 102.59 1ugk n ASP 74 Ca -0.21 -1.14 -0.24 0.00 -1.51 0.00 0.00 54.79 51.69 1ugk n ASP 74 Cb 0.61 -2.16 0.07 0.00 2.34 0.00 0.00 41.12 41.97 1ugk n ASP 74 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1ugk s GLU 75 N -7.09 2.18 -0.10 -0.67 0.41 0.15 -4.80 118.70 108.79 1ugk s GLU 75 Ca 0.64 -0.56 -0.06 0.00 -0.41 0.00 0.00 54.97 54.58 1ugk s GLU 75 Cb -0.36 -2.29 0.04 0.00 -1.78 0.00 0.00 34.13 29.74 1ugk s GLU 75 CO 0.98 -1.14 0.24 0.99 -0.49 0.00 0.00 175.26 175.84 1ugk s THR 76 N -3.09 -0.03 -0.13 3.63 2.01 -1.26 0.77 115.64 117.54 1ugk s THR 76 Ca 0.61 0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.71 1ugk s THR 76 Cb -0.10 -0.36 0.02 0.00 0.01 0.00 0.00 72.50 72.08 1ugk s THR 76 CO 0.43 0.04 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.90 1ugk s PHE 77 N 0.86 1.99 0.14 4.92 0.08 -1.19 -4.97 117.98 119.81 1ugk s PHE 77 Ca -0.06 -1.04 -0.01 0.00 0.12 0.00 0.00 56.93 55.94 1ugk s PHE 77 Cb -0.07 -1.48 -0.04 0.00 -0.57 0.00 0.00 43.02 40.86 1ugk s PHE 77 CO -0.05 -0.58 0.32 0.99 -0.10 0.00 0.00 175.22 175.79 1ugk s THR 78 N 1.35 5.27 -0.07 0.64 2.01 -1.26 -1.74 115.64 121.84 1ugk s THR 78 Ca 0.01 -0.32 -0.04 0.00 0.31 0.00 0.00 61.69 61.64 1ugk s THR 78 Cb -0.13 -3.68 0.03 0.00 0.01 0.00 0.00 72.50 68.73 1ugk s THR 78 CO -0.07 -0.02 0.17 -0.36 -0.69 0.00 0.00 174.62 173.65 1ugk s PHE 79 N -1.69 -0.20 0.20 4.92 0.08 0.24 -4.94 117.98 116.59 1ugk s PHE 79 Ca 0.37 0.51 0.09 0.00 0.12 0.00 0.00 56.93 58.03 1ugk s PHE 79 Cb -0.12 -0.00 -0.04 0.00 -0.57 0.00 0.00 43.02 42.29 1ugk s PHE 79 CO 0.28 -0.14 -0.10 0.71 -0.10 0.00 0.00 175.22 175.87 1ugk s TYR 80 N 0.74 2.60 0.00 0.36 2.02 -1.26 -0.81 117.35 121.00 1ugk s TYR 80 Ca -0.05 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 1ugk s TYR 80 Cb -0.07 -1.25 0.00 0.00 -0.40 0.00 0.00 41.96 40.24 1ugk s TYR 80 CO -0.04 0.54 0.00 0.41 -1.57 0.00 0.00 175.55 174.89 1ugk n GLY 81 N -0.13 0.42 3.65 0.71 0.00 -1.26 -5.04 105.19 103.54 1ugk n GLY 81 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 4.62 -1.32 -0.61 1.01 -1.26 -4.88 121.20 116.76 1ugk s ILE 82 Ca 0.00 1.89 0.00 0.00 0.00 0.00 0.00 60.65 62.54 1ugk s ILE 82 Cb 0.00 -4.34 0.00 0.00 0.01 0.00 0.00 42.46 38.13 1ugk s ILE 82 CO 0.00 -0.29 0.50 -0.81 0.00 0.00 0.00 174.94 174.34 1ugk n PRO 83 N 6.51 0.75 0.00 2.79 -0.04 -1.26 -4.60 135.00 139.15 1ugk n PRO 83 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1ugk n PRO 83 Cb 0.46 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.08 0.00 0.27 0.54 9.36 -1.26 -4.19 117.16 121.80 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 0.13 0.00 0.71 0.00 -0.63 0.00 0.00 39.34 39.54 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 -2.02 1.29 112.91 116.50 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 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 66.99 1ugk h THR 85 CO 0.00 0.00 -0.43 -0.61 -0.25 0.00 0.00 175.52 174.23 1ugk h GLN 86 N 0.00 0.00 -0.83 4.72 4.15 -1.94 -3.31 115.11 117.90 1ugk h GLN 86 Ca 0.00 0.00 0.16 0.00 0.77 0.00 0.00 58.65 59.58 1ugk h GLN 86 Cb 0.51 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.10 1ugk h GLN 86 CO 0.00 0.00 0.38 0.82 -1.93 0.00 0.00 178.83 178.10 1ugk h ILE 87 N 0.00 0.65 0.00 2.39 1.08 0.13 1.51 117.51 123.28 1ugk h ILE 87 Ca 0.00 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1ugk h ILE 87 Cb 0.93 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.77 1ugk h ILE 87 CO 0.00 0.09 0.00 0.00 -0.69 0.00 0.00 178.15 177.55 1ugk n GLN 88 N -4.95 0.03 -0.22 2.37 6.02 -1.23 -0.08 117.38 119.33 1ugk n GLN 88 Ca 0.17 0.45 0.07 0.00 -0.01 0.00 0.00 57.00 57.68 1ugk n GLN 88 Cb 0.48 -1.59 0.19 0.00 1.02 0.00 0.00 30.24 30.33 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 -1.66 2.74 -2.40 -1.09 -0.58 0.51 -3.96 120.64 114.20 1ugk n GLU 89 Ca 0.01 -2.17 -0.10 0.00 -0.42 0.00 0.00 57.16 54.48 1ugk n GLU 89 Cb 0.07 -1.34 -0.00 0.00 -0.57 0.00 0.00 31.44 29.59 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 0.81 0.00 0.00 -4.62 4.77 0.88 -4.25 117.00 114.60 1ugk n LEU 90 Ca 0.15 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 1ugk n LEU 90 Cb 0.47 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1ugk n LEU 90 CO 0.10 -0.37 0.00 0.00 -1.33 0.00 0.00 177.39 175.80 1ugk n ALA 91 N -2.56 0.00 -2.49 -1.18 0.00 0.66 -3.42 120.51 111.51 1ugk n ALA 91 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 1ugk n ALA 91 Cb 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.56 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 2.79 -0.30 0.00 1.43 -0.91 0.20 118.68 121.89 1ugk s LEU 92 Ca 0.00 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1ugk s LEU 92 Cb 0.00 -1.59 0.07 0.00 0.03 0.00 0.00 46.19 44.71 1ugk s LEU 92 CO 0.00 0.33 -0.01 -2.28 0.23 0.00 0.00 176.35 174.61 1ugk s HIS 93 N -0.80 3.45 -0.58 0.29 2.46 -0.81 -0.71 115.29 118.59 1ugk s HIS 93 Ca 0.13 -2.45 -0.19 0.00 0.47 0.00 0.00 55.06 53.01 1ugk s HIS 93 Cb -0.11 -2.37 0.10 0.00 -0.13 0.00 0.00 32.58 30.07 1ugk s HIS 93 CO 0.02 -0.89 0.69 -0.06 -2.47 0.00 0.00 174.74 172.02 1ugk s PHE 94 N 1.07 3.01 -0.44 3.88 0.08 0.38 -3.62 117.98 122.34 1ugk s PHE 94 Ca -0.01 -0.93 -0.15 0.00 0.12 0.00 0.00 56.93 55.96 1ugk s PHE 94 Cb -0.20 -3.95 0.05 0.00 -0.57 0.00 0.00 43.02 38.35 1ugk s PHE 94 CO -0.05 -1.26 0.35 0.99 -0.10 0.00 0.00 175.22 175.15 1ugk s THR 95 N 2.63 5.23 -1.17 0.64 2.01 -1.11 0.20 115.64 124.08 1ugk s THR 95 Ca 0.11 -0.88 -0.19 0.00 0.31 0.00 0.00 61.69 61.05 1ugk s THR 95 Cb -0.24 -4.03 0.08 0.00 0.01 0.00 0.00 72.50 68.33 1ugk s THR 95 CO 0.07 -0.45 1.55 -0.63 -0.69 0.00 0.00 174.62 174.47 1ugk s ILE 96 N 1.66 4.23 0.43 1.82 1.09 -0.40 -1.90 121.20 128.13 1ugk s ILE 96 Ca 0.04 -1.61 0.06 0.00 -1.10 0.00 0.00 60.65 58.04 1ugk s ILE 96 Cb -0.22 -5.08 -0.06 0.00 -1.06 0.00 0.00 42.46 36.05 1ugk s ILE 96 CO 0.08 -1.90 0.09 -1.48 -0.10 0.00 0.00 174.94 171.63 1ugk s LEU 97 N 3.98 2.89 -0.02 2.97 2.34 -1.06 -1.13 118.68 128.65 1ugk s LEU 97 Ca 0.48 -1.29 0.05 0.00 0.06 0.00 0.00 54.13 53.43 1ugk s LEU 97 Cb 0.01 -1.10 -0.03 0.00 -0.56 0.00 0.00 46.19 44.52 1ugk s LEU 97 CO -0.00 -0.56 -0.16 -0.55 -1.06 0.00 0.00 176.35 174.02 1ugk s SER 98 N -3.83 3.91 -0.17 1.48 0.15 0.12 -0.91 113.70 114.44 1ugk s SER 98 Ca 0.34 -0.28 -0.05 0.00 0.70 0.00 0.00 55.95 56.66 1ugk s SER 98 Cb 0.06 -0.75 -0.03 0.00 -1.71 0.00 0.00 66.02 63.59 1ugk s SER 98 CO 0.18 0.32 -0.01 0.12 1.20 0.00 0.00 173.24 175.04 1ugk s PHE 99 N -0.79 3.07 -0.37 3.44 5.36 -1.22 -2.20 117.98 125.27 1ugk s PHE 99 Ca 0.13 -0.25 0.13 0.00 -0.96 0.00 0.00 56.93 55.98 1ugk s PHE 99 Cb -0.11 -2.00 0.38 0.00 -0.34 0.00 0.00 43.02 40.95 1ugk s PHE 99 CO 0.02 -0.03 0.88 -0.25 -1.46 0.00 0.00 175.22 174.39 1ugk n ASP 100 N 3.64 0.43 -0.04 6.13 8.00 -1.25 -4.77 116.55 128.68 1ugk n ASP 100 Ca -0.17 -2.97 0.00 0.00 0.71 0.00 0.00 54.79 52.36 1ugk n ASP 100 Cb 0.52 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1ugk n ASP 100 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1ugk n ARG 101 N 0.13 0.00 -1.41 -1.24 1.85 -1.26 -4.68 116.66 110.05 1ugk n ARG 101 Ca 0.16 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.87 1ugk n ARG 101 Cb 0.72 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 32.07 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 -0.09 -0.30 0.00 2.89 3.72 -1.26 -3.35 117.46 119.07 1ugk n PHE 102 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1ugk n PHE 102 Cb 0.00 -2.71 0.00 0.00 -0.94 0.00 0.00 39.48 35.83 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 -0.64 0.00 -4.06 4.37 7.64 -1.26 -4.89 113.62 114.79 1ugk n SER 103 Ca -0.14 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.32 1ugk n SER 103 Cb 0.47 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.66 1ugk n SER 103 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1ugk n ARG 104 N 0.00 0.00 -3.52 1.43 1.85 -1.21 -4.85 116.66 110.36 1ugk n ARG 104 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 1ugk n ARG 104 Cb 0.00 -0.93 -0.11 0.00 -1.05 0.00 0.00 32.46 30.37 1ugk n ARG 104 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 1ugk s ASP 105 N -0.93 0.43 -0.40 2.89 1.47 -1.26 -3.85 116.67 115.01 1ugk s ASP 105 Ca 0.58 0.36 -0.28 0.00 1.18 0.00 0.00 52.55 54.39 1ugk s ASP 105 Cb -0.74 0.89 -0.01 0.00 -0.34 0.00 0.00 42.92 42.72 1ugk s ASP 105 CO 0.55 -0.28 1.70 -1.81 0.68 0.00 0.00 175.17 176.01 1ugk s ASP 106 N 2.48 5.92 0.15 2.11 1.11 -0.94 -4.70 116.67 122.79 1ugk s ASP 106 Ca 0.06 0.99 -0.26 0.00 0.18 0.00 0.00 52.55 53.52 1ugk s ASP 106 Cb -0.14 -2.53 -0.08 0.00 1.07 0.00 0.00 42.92 41.24 1ugk s ASP 106 CO -0.13 -1.74 0.81 -0.63 1.18 0.00 0.00 175.17 174.66 1ugk s ILE 107 N 6.82 4.40 -0.25 0.77 1.01 -1.26 0.11 121.20 132.80 1ugk s ILE 107 Ca 0.72 1.76 -0.11 0.00 0.00 0.00 0.00 60.65 63.02 1ugk s ILE 107 Cb -0.18 -4.17 -0.15 0.00 0.01 0.00 0.00 42.46 37.97 1ugk s ILE 107 CO 0.31 0.48 -0.20 -0.38 0.00 0.00 0.00 174.94 175.15 1ugk n ILE 108 N 1.87 1.54 -3.83 2.92 5.41 -0.28 -4.92 119.36 122.06 1ugk n ILE 108 Ca -0.04 -0.39 -0.06 0.00 1.00 0.00 0.00 62.75 63.26 1ugk n ILE 108 Cb 0.49 -1.80 0.01 0.00 -0.71 0.00 0.00 39.64 37.63 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 -5.63 0.16 0.04 7.39 0.00 -0.95 -4.55 107.32 103.77 1ugk s GLY 109 Ca -0.36 -0.45 0.04 0.00 0.00 0.00 0.00 44.72 43.95 1ugk s GLY 109 CO 0.55 0.69 -0.12 -0.54 0.00 0.00 0.00 173.10 173.68 1ugk s GLU 110 N -2.56 0.77 0.05 2.90 8.01 -1.22 -1.28 118.70 125.38 1ugk s GLU 110 Ca 0.17 -0.71 0.01 0.00 0.01 0.00 0.00 54.97 54.45 1ugk s GLU 110 Cb -0.04 -0.72 -0.03 0.00 -4.31 0.00 0.00 34.13 29.03 1ugk s GLU 110 CO 0.08 0.17 -0.06 0.08 0.01 0.00 0.00 175.26 175.54 1ugk s VAL 111 N -0.92 0.44 -0.05 2.63 1.01 0.52 -4.48 120.40 119.55 1ugk s VAL 111 Ca -0.01 -1.28 -0.08 0.00 0.00 0.00 0.00 61.98 60.60 1ugk s VAL 111 Cb -0.08 -0.83 0.02 0.00 0.00 0.00 0.00 36.38 35.48 1ugk s VAL 111 CO 0.01 -0.57 0.20 -0.22 0.00 0.00 0.00 175.10 174.52 1ugk s LEU 112 N -1.98 1.27 -0.30 3.92 2.96 -1.26 0.14 118.68 123.43 1ugk s LEU 112 Ca -0.05 0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 54.05 1ugk s LEU 112 Cb -0.05 0.75 0.11 0.00 0.50 0.00 0.00 46.19 47.50 1ugk s LEU 112 CO -0.02 -0.18 0.15 -0.51 -1.32 0.00 0.00 176.35 174.47 1ugk s ILE 113 N -0.40 0.01 0.09 6.68 1.10 0.11 -4.96 121.20 123.84 1ugk s ILE 113 Ca -0.05 -0.99 -0.30 0.00 -0.51 0.00 0.00 60.65 58.79 1ugk s ILE 113 Cb -0.03 -1.04 -0.06 0.00 0.15 0.00 0.00 42.46 41.48 1ugk s ILE 113 CO 0.01 -0.79 1.15 -2.16 -2.11 0.00 0.00 174.94 171.05 1ugk s PRO 114 N 1.86 4.49 -0.08 3.50 0.04 -1.26 -2.15 135.00 141.39 1ugk s PRO 114 Ca 0.11 1.73 0.06 0.00 0.04 0.00 0.00 61.00 62.94 1ugk s PRO 114 Cb -0.18 -3.33 0.32 0.00 0.04 0.00 0.00 34.50 31.35 1ugk s PRO 114 CO -0.28 -0.15 1.05 1.28 0.04 0.00 0.00 177.00 178.93 1ugk n LEU 115 N 3.46 2.65 -3.03 -3.56 4.77 -1.22 -4.58 117.00 115.50 1ugk n LEU 115 Ca 0.07 -1.34 -0.22 0.00 -0.03 0.00 0.00 56.01 54.49 1ugk n LEU 115 Cb 0.47 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 1ugk n LEU 115 CO 0.55 0.40 2.31 -0.24 -1.33 0.00 0.00 177.39 179.08 1ugk n SER 116 N 0.28 5.16 0.00 -1.43 2.88 -1.25 -2.49 113.62 116.76 1ugk n SER 116 Ca 0.11 -2.32 0.00 0.00 -1.33 0.00 0.00 58.87 55.33 1ugk n SER 116 Cb 0.56 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 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 3.57 0.76 3.61 0.46 0.00 -1.26 -5.02 105.19 107.31 1ugk n GLY 117 Ca 0.46 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 46.01 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 1.05 -3.87 -0.61 2.08 -1.04 -4.95 119.36 112.02 1ugk n ILE 118 Ca 0.00 -0.26 -0.30 0.00 0.56 0.00 0.00 62.75 62.74 1ugk n ILE 118 Cb 0.00 -1.09 -0.15 0.00 -0.75 0.00 0.00 39.64 37.65 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 -0.54 1.09 0.00 0.38 2.02 -1.26 -4.93 118.70 115.46 1ugk s GLU 119 Ca 0.70 -1.39 0.23 0.00 0.02 0.00 0.00 54.97 54.52 1ugk s GLU 119 Cb -0.76 -2.53 0.78 0.00 0.10 0.00 0.00 34.13 31.71 1ugk s GLU 119 CO 0.52 -0.94 1.57 1.28 0.02 0.00 0.00 175.26 177.72 1ugk n LEU 120 N 4.59 1.83 -0.07 1.80 7.99 -1.26 -4.07 117.00 127.80 1ugk n LEU 120 Ca -0.00 -0.72 -0.10 0.00 -0.01 0.00 0.00 56.01 55.17 1ugk n LEU 120 Cb 0.42 -0.09 -0.03 0.00 -0.11 0.00 0.00 43.42 43.61 1ugk n LEU 120 CO 0.16 0.36 0.89 -1.28 -1.51 0.00 0.00 177.39 176.01 1ugk h SER 121 N 2.55 0.33 0.24 -1.43 0.87 -1.91 -3.09 113.55 111.11 1ugk h SER 121 Ca 0.00 -0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.43 1ugk h SER 121 Cb 0.55 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 1ugk h SER 121 CO 0.00 0.37 -0.31 -0.33 -0.53 0.00 0.00 176.83 176.03 1ugk h GLU 122 N 0.26 -0.59 0.00 2.24 5.08 -2.01 -3.48 114.58 116.09 1ugk h GLU 122 Ca 0.08 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1ugk h GLU 122 Cb 0.14 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1ugk h GLU 122 CO -0.01 -0.39 0.00 0.41 -1.00 0.00 0.00 179.01 178.02 1ugk n GLY 123 N -1.42 2.34 3.46 -3.84 0.00 -1.17 -5.10 105.19 99.47 1ugk n GLY 123 Ca -0.08 -0.66 -0.60 0.00 0.00 0.00 0.00 46.02 44.68 1ugk n GLY 123 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ugk n LYS 124 N -0.62 0.36 -3.96 1.61 4.81 -1.26 -4.79 118.16 114.30 1ugk n LYS 124 Ca 0.00 0.11 -0.30 0.00 -0.87 0.00 0.00 58.31 57.25 1ugk n LYS 124 Cb 0.00 -1.76 -0.05 0.00 0.02 0.00 0.00 35.03 33.25 1ugk n LYS 124 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ugk s MET 125 N 5.02 3.28 -0.11 1.64 0.23 -1.10 -4.97 119.30 123.28 1ugk s MET 125 Ca 1.12 -0.52 -0.10 0.00 -1.03 0.00 0.00 55.69 55.16 1ugk s MET 125 Cb -1.32 -2.95 -0.05 0.00 -1.53 0.00 0.00 34.83 28.98 1ugk s MET 125 CO 0.67 0.59 0.21 -1.17 -2.03 0.00 0.00 175.02 173.28 1ugk s LEU 126 N -2.54 4.36 0.03 0.18 1.98 -1.26 -2.43 118.68 118.99 1ugk s LEU 126 Ca 0.33 0.53 -0.04 0.00 -2.89 0.00 0.00 54.13 52.07 1ugk s LEU 126 Cb -0.13 -2.20 -0.01 0.00 0.66 0.00 0.00 46.19 44.51 1ugk s LEU 126 CO 0.26 0.32 0.05 -0.04 -1.89 0.00 0.00 176.35 175.06 1ugk s MET 127 N -0.65 0.48 0.21 1.98 -1.94 0.77 -4.99 119.30 115.17 1ugk s MET 127 Ca 0.16 -0.69 0.02 0.00 -1.71 0.00 0.00 55.69 53.46 1ugk s MET 127 Cb -0.13 0.19 -0.05 0.00 2.01 0.00 0.00 34.83 36.85 1ugk s MET 127 CO 0.05 -0.11 0.03 0.54 -0.01 0.00 0.00 175.02 175.53 1ugk s ASN 128 N -1.87 1.31 -0.07 3.03 2.20 -1.26 -1.32 114.94 116.96 1ugk s ASN 128 Ca -0.09 -1.26 -0.16 0.00 -0.94 0.00 0.00 52.86 50.41 1ugk s ASN 128 Cb -0.04 0.12 0.03 0.00 -2.00 0.00 0.00 41.25 39.36 1ugk s ASN 128 CO -0.03 -0.62 0.38 -0.13 -2.94 0.00 0.00 177.10 173.76 1ugk s ARG 129 N -3.95 0.64 0.06 3.55 1.81 -0.18 -4.95 118.95 115.93 1ugk s ARG 129 Ca 0.30 0.12 -0.19 0.00 -1.72 0.00 0.00 55.73 54.23 1ugk s ARG 129 Cb 0.07 0.29 -0.06 0.00 -0.45 0.00 0.00 34.95 34.79 1ugk s ARG 129 CO 0.08 -0.15 0.57 -1.83 -0.68 0.00 0.00 175.30 173.29 1ugk s GLU 130 N -0.76 4.22 -0.28 3.54 -1.05 -1.26 0.60 118.70 123.71 1ugk s GLU 130 Ca -0.08 0.73 -0.12 0.00 -0.15 0.00 0.00 54.97 55.34 1ugk s GLU 130 Cb -0.04 -3.26 -0.05 0.00 -0.44 0.00 0.00 34.13 30.35 1ugk s GLU 130 CO 0.03 0.59 0.23 0.42 0.95 0.00 0.00 175.26 177.49 1ugk s ILE 131 N -0.94 5.28 0.09 1.83 1.01 0.15 -4.84 121.20 123.77 1ugk s ILE 131 Ca 0.29 0.26 0.01 0.00 0.00 0.00 0.00 60.65 61.22 1ugk s ILE 131 Cb -0.19 -3.57 -0.00 0.00 0.01 0.00 0.00 42.46 38.70 1ugk s ILE 131 CO 0.19 0.23 0.04 2.30 0.00 0.00 0.00 174.94 177.69 1ugk n ILE 132 N 5.07 0.00 -2.93 2.92 -6.64 -1.26 -3.71 119.36 112.81 1ugk n ILE 132 Ca -0.13 -0.53 -0.44 0.00 -1.77 0.00 0.00 62.75 59.89 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 -0.24 -1.77 0.00 0.00 176.55 174.54 1ugk n SER 133 N -2.07 5.40 -1.04 7.28 2.88 -1.26 -3.41 113.62 121.41 1ugk n SER 133 Ca -0.01 -3.07 0.03 0.00 -1.33 0.00 0.00 58.87 54.50 1ugk n SER 133 Cb 0.13 -1.47 -0.02 0.00 -0.75 0.00 0.00 64.21 62.10 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 3.19 -3.53 2.36 0.46 0.00 -1.26 -4.34 105.19 102.07 1ugk n GLY 134 Ca 0.33 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 1ugk n GLY 134 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ugk n PRO 135 N -2.60 2.32 -1.69 1.61 -0.04 -1.26 -4.91 135.00 128.43 1ugk n PRO 135 Ca -0.02 -1.41 -0.44 0.00 -0.04 0.00 0.00 63.50 61.59 1ugk n PRO 135 Cb 0.36 -2.34 -0.04 0.00 -0.04 0.00 0.00 33.50 31.44 1ugk n PRO 135 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ugk n SER 136 N 3.47 3.63 -1.96 3.54 7.64 -1.26 -4.27 113.62 124.41 1ugk n SER 136 Ca 0.50 1.04 0.00 0.00 1.01 0.00 0.00 58.87 61.42 1ugk n SER 136 Cb 0.36 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 1ugk n SER 136 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ugk n SER 137 N 4.43 -7.76 0.00 6.43 7.64 -1.26 -5.17 113.62 117.94 1ugk n SER 137 Ca 0.17 1.35 0.00 0.00 1.01 0.00 0.00 58.87 61.40 1ugk n SER 137 Cb 0.33 -4.24 0.00 0.00 -1.01 0.00 0.00 64.21 59.29 1ugk n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64