#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 -0.45 0.11 1.61 0.15 -1.26 -5.18 113.70 108.69 1ugk s SER 2 Ca 0.00 0.51 -0.26 0.00 0.70 0.00 0.00 55.95 56.90 1ugk s SER 2 Cb 0.00 0.53 0.07 0.00 -1.71 0.00 0.00 66.02 64.91 1ugk s SER 2 CO 0.00 -0.48 0.93 -0.55 1.20 0.00 0.00 173.24 174.34 1ugk s SER 3 N -1.03 -0.23 0.00 5.45 0.15 -1.26 -5.09 113.70 111.69 1ugk s SER 3 Ca -0.10 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1ugk s SER 3 Cb -0.03 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1ugk s SER 3 CO 0.06 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.28 1ugk n GLY 4 N -0.41 3.48 3.56 9.45 0.00 -1.26 -5.19 105.19 114.82 1ugk n GLY 4 Ca -0.07 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 -0.31 -0.57 1.61 0.15 -1.26 -5.11 113.70 108.22 1ugk s SER 5 Ca 0.00 -0.08 -0.28 0.00 0.70 0.00 0.00 55.95 56.29 1ugk s SER 5 Cb 0.00 0.39 0.01 0.00 -1.71 0.00 0.00 66.02 64.71 1ugk s SER 5 CO 0.00 -0.65 1.45 -0.44 1.20 0.00 0.00 173.24 174.80 1ugk s SER 6 N -2.57 6.07 0.26 5.45 0.01 -1.26 -4.70 113.70 116.96 1ugk s SER 6 Ca 0.07 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.61 1ugk s SER 6 Cb -0.01 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1ugk s SER 6 CO -0.06 -1.76 0.00 0.61 0.41 0.00 0.00 173.24 172.43 1ugk n GLY 7 N 5.30 -3.73 0.00 3.44 0.00 -1.26 -4.96 105.19 103.98 1ugk n GLY 7 Ca 0.13 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.12 0.00 0.00 0.99 7.99 -1.12 -5.01 117.00 118.73 1ugk n LEU 8 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1ugk n LEU 8 Cb 0.04 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.35 1ugk n LEU 8 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 1ugk n GLY 9 N 1.55 3.65 3.27 -0.72 0.00 0.42 -4.34 105.19 109.03 1ugk n GLY 9 Ca 0.00 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.12 1.16 -0.04 2.61 2.01 0.21 -0.15 115.64 119.33 1ugk s THR 10 Ca 0.00 -2.06 0.06 0.00 0.31 0.00 0.00 61.69 60.00 1ugk s THR 10 Cb 0.00 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.52 1ugk s THR 10 CO 0.00 -0.63 -0.21 -0.22 -0.69 0.00 0.00 174.62 172.87 1ugk s LEU 11 N -3.21 2.01 -0.04 4.42 2.96 0.23 -2.18 118.68 122.87 1ugk s LEU 11 Ca 0.20 -0.41 0.07 0.00 -0.22 0.00 0.00 54.13 53.77 1ugk s LEU 11 Cb 0.03 -1.15 -0.02 0.00 0.50 0.00 0.00 46.19 45.56 1ugk s LEU 11 CO 0.03 0.22 -0.25 -0.36 -1.32 0.00 0.00 176.35 174.67 1ugk s PHE 12 N -0.23 2.34 0.10 5.38 0.08 -0.93 -0.74 117.98 123.98 1ugk s PHE 12 Ca 0.01 -0.55 -0.26 0.00 0.12 0.00 0.00 56.93 56.25 1ugk s PHE 12 Cb -0.11 -1.52 0.08 0.00 -0.57 0.00 0.00 43.02 40.90 1ugk s PHE 12 CO 0.01 -0.11 0.93 -0.59 -0.10 0.00 0.00 175.22 175.36 1ugk s PHE 13 N -0.41 -0.21 -0.07 0.36 -0.71 -0.59 -1.55 117.98 114.80 1ugk s PHE 13 Ca 0.04 -0.04 -0.02 0.00 -1.04 0.00 0.00 56.93 55.87 1ugk s PHE 13 Cb -0.11 0.60 0.04 0.00 -1.21 0.00 0.00 43.02 42.33 1ugk s PHE 13 CO 0.01 -0.73 0.06 -1.54 -1.34 0.00 0.00 175.22 171.68 1ugk s SER 14 N -2.78 1.41 0.29 1.98 1.04 -1.05 -0.67 113.70 113.92 1ugk s SER 14 Ca 0.10 -0.06 -0.20 0.00 0.48 0.00 0.00 55.95 56.26 1ugk s SER 14 Cb -0.01 -0.20 -0.09 0.00 0.10 0.00 0.00 66.02 65.82 1ugk s SER 14 CO -0.02 -0.26 0.80 -0.76 0.98 0.00 0.00 173.24 173.98 1ugk s LEU 15 N 2.14 4.23 -0.23 2.42 1.43 -1.14 -2.25 118.68 125.27 1ugk s LEU 15 Ca 0.04 1.50 -0.09 0.00 -1.03 0.00 0.00 54.13 54.56 1ugk s LEU 15 Cb -0.13 -3.91 0.10 0.00 0.03 0.00 0.00 46.19 42.28 1ugk s LEU 15 CO -0.04 -0.09 0.51 -0.70 0.23 0.00 0.00 176.35 176.26 1ugk s GLU 16 N -2.38 0.44 0.01 1.70 2.12 0.13 -3.22 118.70 117.50 1ugk s GLU 16 Ca 0.49 1.16 -0.10 0.00 0.36 0.00 0.00 54.97 56.88 1ugk s GLU 16 Cb -0.15 0.45 -0.05 0.00 0.26 0.00 0.00 34.13 34.64 1ugk s GLU 16 CO 0.20 -0.22 0.33 -0.47 -0.54 0.00 0.00 175.26 174.56 1ugk s TYR 17 N 2.49 3.63 -0.30 5.30 5.04 -1.26 0.73 117.35 132.98 1ugk s TYR 17 Ca -0.05 0.76 -0.06 0.00 -2.44 0.00 0.00 57.07 55.28 1ugk s TYR 17 Cb -0.11 -2.12 0.02 0.00 0.35 0.00 0.00 41.96 40.10 1ugk s TYR 17 CO -0.15 0.62 0.06 1.21 -1.34 0.00 0.00 175.55 175.95 1ugk s ASN 18 N -1.42 5.04 0.58 4.32 2.47 0.19 -4.89 114.94 121.24 1ugk s ASN 18 Ca 0.26 -0.85 0.00 0.00 0.42 0.00 0.00 52.86 52.69 1ugk s ASN 18 Cb -0.14 -1.84 0.00 0.00 -1.45 0.00 0.00 41.25 37.82 1ugk s ASN 18 CO 0.14 -0.22 0.00 0.49 -3.72 0.00 0.00 177.10 173.79 1ugk n PHE 19 N 4.82 -2.41 0.00 0.43 3.01 -1.26 0.17 117.46 122.22 1ugk n PHE 19 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.32 1ugk n PHE 19 Cb 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 1ugk n PHE 19 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1ugk n GLU 20 N -0.61 0.00 -0.58 -1.08 4.07 -1.26 -3.56 120.64 117.62 1ugk n GLU 20 Ca 0.00 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.18 1ugk n GLU 20 Cb 0.00 0.00 0.31 0.00 -0.06 0.00 0.00 31.44 31.69 1ugk n GLU 20 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1ugk n ARG 21 N 0.00 3.66 -3.78 5.31 1.74 -1.26 -4.98 116.66 117.35 1ugk n ARG 21 Ca 0.00 -2.85 -0.28 0.00 -0.77 0.00 0.00 57.85 53.94 1ugk n ARG 21 Cb 0.00 -1.91 0.01 0.00 -1.02 0.00 0.00 32.46 29.54 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 0.32 -1.02 -4.49 5.56 4.01 -1.19 -3.90 118.16 117.44 1ugk n LYS 22 Ca 0.23 0.44 -0.25 0.00 -0.51 0.00 0.00 58.31 58.22 1ugk n LYS 22 Cb 0.92 -1.97 -0.10 0.00 -0.51 0.00 0.00 35.03 33.37 1ugk n LYS 22 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ugk s ALA 23 N -3.14 2.80 -0.00 7.82 0.00 0.46 -0.85 121.76 128.85 1ugk s ALA 23 Ca 0.14 -1.95 0.06 0.00 0.00 0.00 0.00 51.96 50.22 1ugk s ALA 23 Cb -0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 1ugk s ALA 23 CO 0.82 0.21 -0.20 0.12 0.00 0.00 0.00 175.76 176.71 1ugk s PHE 24 N -2.56 1.75 -0.12 0.00 5.36 0.29 0.56 117.98 123.26 1ugk s PHE 24 Ca 0.31 -0.34 -0.00 0.00 -0.96 0.00 0.00 56.93 55.93 1ugk s PHE 24 Cb -0.02 -1.10 0.03 0.00 -0.34 0.00 0.00 43.02 41.58 1ugk s PHE 24 CO 0.15 -0.00 -0.08 0.08 -1.46 0.00 0.00 175.22 173.91 1ugk s VAL 25 N -0.54 1.07 -0.53 3.12 1.01 0.22 -1.30 120.40 123.45 1ugk s VAL 25 Ca 0.07 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1ugk s VAL 25 Cb -0.08 -1.10 0.13 0.00 0.00 0.00 0.00 36.38 35.33 1ugk s VAL 25 CO -0.00 0.34 0.28 -0.69 0.00 0.00 0.00 175.10 175.03 1ugk s VAL 26 N 1.69 2.73 0.23 2.92 1.01 -1.10 0.20 120.40 128.08 1ugk s VAL 26 Ca 0.04 -3.28 -0.30 0.00 0.00 0.00 0.00 61.98 58.45 1ugk s VAL 26 Cb -0.13 -2.88 -0.09 0.00 0.00 0.00 0.00 36.38 33.28 1ugk s VAL 26 CO -0.08 -0.81 1.16 0.21 0.00 0.00 0.00 175.10 175.58 1ugk s ASN 27 N -0.17 7.14 -0.38 3.32 3.84 -0.96 -3.80 114.94 123.93 1ugk s ASN 27 Ca 0.17 2.27 -0.01 0.00 0.21 0.00 0.00 52.86 55.50 1ugk s ASN 27 Cb -0.25 -2.62 0.10 0.00 -0.55 0.00 0.00 41.25 37.93 1ugk s ASN 27 CO -0.01 -0.29 0.15 -0.63 -2.79 0.00 0.00 177.10 173.53 1ugk s ILE 28 N -0.55 3.03 0.00 -5.21 1.01 0.34 -2.52 121.20 117.30 1ugk s ILE 28 Ca 0.49 -2.07 0.00 0.00 0.00 0.00 0.00 60.65 59.08 1ugk s ILE 28 Cb -0.33 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.06 1ugk s ILE 28 CO 0.39 -0.62 0.00 1.17 0.00 0.00 0.00 174.94 175.88 1ugk n LYS 29 N 4.52 2.57 -4.21 2.79 3.00 -0.59 0.00 118.16 126.23 1ugk n LYS 29 Ca -0.02 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.02 1ugk n LYS 29 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.39 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 2.22 0.02 1.64 -1.05 -1.24 -1.67 118.70 118.63 1ugk s GLU 30 Ca 0.00 -2.03 0.08 0.00 -0.15 0.00 0.00 54.97 52.87 1ugk s GLU 30 Cb 0.00 -1.91 -0.02 0.00 -0.44 0.00 0.00 34.13 31.76 1ugk s GLU 30 CO 0.00 -0.32 -0.23 0.00 0.95 0.00 0.00 175.26 175.67 1ugk s ALA 31 N -2.72 1.91 -0.02 -0.84 0.00 -0.85 -2.20 121.76 117.04 1ugk s ALA 31 Ca 0.31 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1ugk s ALA 31 Cb 0.02 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.74 1ugk s ALA 31 CO 0.18 0.45 -0.00 1.03 0.00 0.00 0.00 175.76 177.41 1ugk s ARG 32 N -0.98 0.28 0.00 0.00 0.52 -0.93 -3.71 118.95 114.13 1ugk s ARG 32 Ca 0.09 0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.34 1ugk s ARG 32 Cb -0.09 -0.43 0.00 0.00 0.52 0.00 0.00 34.95 34.95 1ugk s ARG 32 CO 0.01 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.64 1ugk n GLY 33 N 3.92 0.93 3.43 -3.53 0.00 -1.26 0.65 105.19 109.33 1ugk n GLY 33 Ca -0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 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 3.69 0.08 0.99 1.02 -1.26 -0.44 118.68 122.76 1ugk s LEU 34 Ca 0.00 -0.36 -0.30 0.00 0.02 0.00 0.00 54.13 53.48 1ugk s LEU 34 Cb 0.00 -1.94 -0.06 0.00 0.02 0.00 0.00 46.19 44.21 1ugk s LEU 34 CO 0.00 -0.10 1.16 -2.16 0.02 0.00 0.00 176.35 175.27 1ugk s PRO 35 N 1.60 4.47 0.16 1.29 0.04 -1.26 -4.80 135.00 136.50 1ugk s PRO 35 Ca 0.05 1.73 -0.34 0.00 0.04 0.00 0.00 61.00 62.49 1ugk s PRO 35 Cb -0.16 -3.34 -0.16 0.00 0.04 0.00 0.00 34.50 30.88 1ugk s PRO 35 CO 0.04 -0.17 1.22 0.00 0.04 0.00 0.00 177.00 178.13 1ugk n ALA 36 N 3.60 -0.69 -0.04 8.56 0.00 -1.26 -4.90 120.51 125.79 1ugk n ALA 36 Ca 0.07 0.47 -0.21 0.00 0.00 0.00 0.00 53.44 53.78 1ugk n ALA 36 Cb 0.47 -2.05 -0.13 0.00 0.00 0.00 0.00 19.45 17.73 1ugk n ALA 36 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1ugk h MET 37 N 3.70 0.14 -6.55 0.00 2.86 -1.93 -3.48 114.93 109.68 1ugk h MET 37 Ca -0.44 -0.24 -0.44 0.00 -2.06 0.00 0.00 59.70 56.51 1ugk h MET 37 Cb 1.34 0.09 0.02 0.00 0.06 0.00 0.00 31.60 33.11 1ugk h MET 37 CO 0.72 1.12 -0.20 -0.51 1.06 0.00 0.00 176.91 179.10 1ugk s ASP 38 N -6.89 5.78 0.00 1.22 1.11 -1.26 -5.03 116.67 111.60 1ugk s ASP 38 Ca -0.23 -0.02 0.00 0.00 0.18 0.00 0.00 52.55 52.49 1ugk s ASP 38 Cb 0.04 -1.22 0.00 0.00 1.07 0.00 0.00 42.92 42.81 1ugk s ASP 38 CO 0.70 -0.67 0.00 -0.62 1.18 0.00 0.00 175.17 175.76 1ugk n GLU 39 N -1.93 1.71 0.00 8.23 -0.58 -1.26 -4.65 120.64 122.17 1ugk n GLU 39 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1ugk n GLU 39 Cb 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.45 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 -0.60 0.00 -3.74 3.49 6.02 -1.26 -4.59 117.38 116.70 1ugk n GLN 40 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 1ugk n GLN 40 Cb 0.00 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.15 1ugk n GLN 40 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ugk s SER 41 N 0.00 5.33 -0.73 1.08 0.15 -1.26 -5.00 113.70 113.26 1ugk s SER 41 Ca 0.00 -1.61 -0.27 0.00 0.70 0.00 0.00 55.95 54.77 1ugk s SER 41 Cb 0.00 -1.87 -0.25 0.00 -1.71 0.00 0.00 66.02 62.19 1ugk s SER 41 CO 0.00 -0.47 1.90 0.80 1.20 0.00 0.00 173.24 176.68 1ugk n MET 42 N 4.74 0.47 -3.61 5.44 1.56 -1.26 -4.68 117.12 119.77 1ugk n MET 42 Ca -0.08 -1.63 0.01 0.00 -0.27 0.00 0.00 57.70 55.73 1ugk n MET 42 Cb 0.43 -3.35 -0.01 0.00 2.15 0.00 0.00 33.22 32.44 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 11.82 0.00 0.25 1.12 -1.32 -1.26 -4.80 115.64 121.44 1ugk s THR 43 Ca 0.73 -0.18 -0.20 0.00 -1.21 0.00 0.00 61.69 60.83 1ugk s THR 43 Cb 0.04 -1.87 0.07 0.00 -1.51 0.00 0.00 72.50 69.23 1ugk s THR 43 CO 0.22 0.00 0.96 -0.44 -2.21 0.00 0.00 174.62 173.15 1ugk s SER 44 N -2.88 -0.00 -0.62 8.08 0.01 -1.26 -4.44 113.70 112.59 1ugk s SER 44 Ca 0.14 -0.81 0.06 0.00 1.31 0.00 0.00 55.95 56.65 1ugk s SER 44 Cb 0.04 0.61 0.27 0.00 0.21 0.00 0.00 66.02 67.15 1ugk s SER 44 CO -0.04 -1.20 0.79 0.47 0.41 0.00 0.00 173.24 173.66 1ugk n ASP 45 N -1.25 3.79 -4.77 2.44 9.92 -1.26 -0.17 116.55 125.26 1ugk n ASP 45 Ca -0.05 -3.47 -0.39 0.00 -0.53 0.00 0.00 54.79 50.35 1ugk n ASP 45 Cb 0.60 -0.64 -0.04 0.00 -0.64 0.00 0.00 41.12 40.39 1ugk n ASP 45 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1ugk s PRO 46 N -2.67 4.48 -0.00 -0.24 0.04 -1.26 -3.38 135.00 131.97 1ugk s PRO 46 Ca 0.42 1.68 0.01 0.00 0.04 0.00 0.00 61.00 63.16 1ugk s PRO 46 Cb 0.18 -2.97 -0.00 0.00 0.04 0.00 0.00 34.50 31.75 1ugk s PRO 46 CO -0.04 0.11 -0.05 1.52 0.04 0.00 0.00 177.00 178.57 1ugk s TYR 47 N -1.34 0.43 -0.07 0.56 1.13 -0.20 -4.32 117.35 113.56 1ugk s TYR 47 Ca 0.49 -0.09 -0.18 0.00 -1.41 0.00 0.00 57.07 55.88 1ugk s TYR 47 Cb -0.28 -0.28 -0.05 0.00 -1.10 0.00 0.00 41.96 40.25 1ugk s TYR 47 CO 0.36 -0.01 0.49 0.42 -2.51 0.00 0.00 175.55 174.29 1ugk s ILE 48 N -0.13 5.09 -0.33 -3.49 1.01 -1.26 -3.11 121.20 118.98 1ugk s ILE 48 Ca 0.02 0.99 -0.11 0.00 0.00 0.00 0.00 60.65 61.55 1ugk s ILE 48 Cb -0.02 -3.82 -0.00 0.00 0.01 0.00 0.00 42.46 38.63 1ugk s ILE 48 CO -0.00 0.40 0.18 -0.54 0.00 0.00 0.00 174.94 174.98 1ugk s LYS 49 N 0.06 3.29 0.04 2.79 1.02 -0.93 -2.47 119.74 123.55 1ugk s LYS 49 Ca 0.26 -0.76 -0.07 0.00 0.02 0.00 0.00 55.97 55.43 1ugk s LYS 49 Cb -0.16 -3.65 -0.05 0.00 -0.52 0.00 0.00 37.83 33.45 1ugk s LYS 49 CO 0.12 -0.47 0.31 1.41 -0.92 0.00 0.00 175.35 175.81 1ugk s MET 50 N 1.63 3.63 -0.15 1.68 -2.45 0.99 -2.21 119.30 122.42 1ugk s MET 50 Ca 0.05 -0.02 -0.07 0.00 -1.25 0.00 0.00 55.69 54.39 1ugk s MET 50 Cb -0.17 -3.03 0.06 0.00 1.25 0.00 0.00 34.83 32.93 1ugk s MET 50 CO 0.07 0.60 0.34 0.99 1.05 0.00 0.00 175.02 178.08 1ugk s THR 51 N -1.37 -0.12 -1.24 10.11 2.01 -1.07 -1.36 115.64 122.60 1ugk s THR 51 Ca 0.31 0.13 -0.18 0.00 0.31 0.00 0.00 61.69 62.26 1ugk s THR 51 Cb -0.13 -0.53 0.08 0.00 0.01 0.00 0.00 72.50 71.93 1ugk s THR 51 CO 0.18 0.06 1.65 -0.63 -0.69 0.00 0.00 174.62 175.18 1ugk s ILE 52 N 1.56 4.23 0.68 1.82 1.01 -1.19 -0.95 121.20 128.37 1ugk s ILE 52 Ca -0.08 -1.86 -0.15 0.00 0.00 0.00 0.00 60.65 58.56 1ugk s ILE 52 Cb -0.10 -5.13 0.01 0.00 0.01 0.00 0.00 42.46 37.25 1ugk s ILE 52 CO -0.11 -1.95 1.14 -0.76 0.00 0.00 0.00 174.94 173.27 1ugk s LEU 53 N 3.92 3.38 0.05 2.97 2.01 0.38 -2.99 118.68 128.40 1ugk s LEU 53 Ca 0.51 2.14 -0.17 0.00 0.01 0.00 0.00 54.13 56.62 1ugk s LEU 53 Cb 0.02 -4.57 -0.21 0.00 0.01 0.00 0.00 46.19 41.45 1ugk s LEU 53 CO 0.04 -1.83 1.19 1.55 1.01 0.00 0.00 176.35 178.30 1ugk h PRO 54 N -0.02 0.58 -5.21 1.29 0.13 -1.84 -0.52 132.00 126.40 1ugk h PRO 54 Ca -0.47 -0.56 -0.10 0.00 -0.87 0.00 0.00 66.00 64.00 1ugk h PRO 54 Cb 1.26 0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.50 1ugk h PRO 54 CO 0.53 1.18 0.61 0.39 -0.23 0.00 0.00 178.00 180.48 1ugk n GLU 55 N -4.08 0.35 0.03 0.86 1.02 -1.16 -4.65 120.64 113.00 1ugk n GLU 55 Ca -0.10 -0.65 0.04 0.00 -0.02 0.00 0.00 57.16 56.44 1ugk n GLU 55 Cb 0.73 -2.87 0.19 0.00 -0.02 0.00 0.00 31.44 29.47 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 7.68 0.03 -0.19 3.49 5.02 -1.24 -3.39 118.16 129.56 1ugk n LYS 56 Ca 0.51 0.45 -0.05 0.00 -2.02 0.00 0.00 58.31 57.20 1ugk n LYS 56 Cb 0.35 -1.58 -0.05 0.00 -0.02 0.00 0.00 35.03 33.73 1ugk n LYS 56 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ugk n LYS 57 N -1.65 -0.20 -0.70 1.97 3.00 -1.26 -0.68 118.16 118.64 1ugk n LYS 57 Ca 0.01 0.99 -0.24 0.00 -0.00 0.00 0.00 58.31 59.07 1ugk n LYS 57 Cb 0.06 -1.47 -0.03 0.00 0.00 0.00 0.00 35.03 33.59 1ugk n LYS 57 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1ugk n HIS 58 N -4.08 1.20 -3.11 5.64 -0.00 -1.22 -4.86 115.22 108.79 1ugk n HIS 58 Ca 0.01 -1.63 -0.39 0.00 -0.00 0.00 0.00 57.72 55.71 1ugk n HIS 58 Cb 0.12 -1.46 -0.06 0.00 -0.00 0.00 0.00 29.99 28.59 1ugk n HIS 58 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1ugk s LYS 59 N 4.19 4.39 -0.01 -0.41 2.20 0.15 -3.14 119.74 127.10 1ugk s LYS 59 Ca 0.39 0.90 -0.12 0.00 -0.36 0.00 0.00 55.97 56.78 1ugk s LYS 59 Cb 0.10 -3.32 0.02 0.00 -1.51 0.00 0.00 37.83 33.11 1ugk s LYS 59 CO 0.02 0.42 0.25 0.14 -0.36 0.00 0.00 175.35 175.82 1ugk s VAL 60 N -0.45 0.06 0.12 4.02 -7.23 -0.46 -5.02 120.40 111.43 1ugk s VAL 60 Ca 0.34 -0.52 0.04 0.00 -1.81 0.00 0.00 61.98 60.02 1ugk s VAL 60 Cb -0.20 -0.54 -0.04 0.00 0.56 0.00 0.00 36.38 36.16 1ugk s VAL 60 CO 0.21 -0.29 -0.10 -1.59 -0.31 0.00 0.00 175.10 173.02 1ugk s LYS 61 N -1.27 0.94 0.58 4.82 -2.85 -1.26 -0.01 119.74 120.69 1ugk s LYS 61 Ca -0.13 -1.29 -0.04 0.00 -1.00 0.00 0.00 55.97 53.51 1ugk s LYS 61 Cb -0.06 -0.56 0.02 0.00 -2.06 0.00 0.00 37.83 35.17 1ugk s LYS 61 CO 0.03 0.08 0.87 0.95 0.10 0.00 0.00 175.35 177.37 1ugk s THR 62 N -2.86 3.45 0.58 3.79 -4.23 -1.03 -4.96 115.64 110.38 1ugk s THR 62 Ca 0.10 -0.18 -0.20 0.00 -1.18 0.00 0.00 61.69 60.23 1ugk s THR 62 Cb -0.00 -3.36 -0.03 0.00 1.34 0.00 0.00 72.50 70.45 1ugk s THR 62 CO -0.00 -0.34 1.34 -0.60 -0.54 0.00 0.00 174.62 174.48 1ugk s ARG 63 N -4.93 2.91 -0.65 3.99 3.52 -1.26 -4.77 118.95 117.77 1ugk s ARG 63 Ca 0.54 2.18 -0.23 0.00 -0.13 0.00 0.00 55.73 58.09 1ugk s ARG 63 Cb -0.10 -2.10 0.07 0.00 -1.56 0.00 0.00 34.95 31.25 1ugk s ARG 63 CO 0.43 -1.35 0.96 0.08 -0.81 0.00 0.00 175.30 174.61 1ugk s VAL 64 N -1.33 4.34 1.06 7.11 1.01 -1.26 -4.82 120.40 126.50 1ugk s VAL 64 Ca 0.76 -0.30 -0.12 0.00 0.00 0.00 0.00 61.98 62.31 1ugk s VAL 64 Cb -0.40 -4.66 0.19 0.00 0.00 0.00 0.00 36.38 31.51 1ugk s VAL 64 CO 0.45 -1.42 0.89 0.18 0.00 0.00 0.00 175.10 175.21 1ugk n LEU 65 N 7.66 0.31 -4.17 3.92 7.99 -1.26 -5.00 117.00 126.45 1ugk n LEU 65 Ca -0.03 0.10 -0.34 0.00 -0.01 0.00 0.00 56.01 55.73 1ugk n LEU 65 Cb 0.46 -1.30 -0.15 0.00 -0.11 0.00 0.00 43.42 42.31 1ugk n LEU 65 CO 0.64 -2.90 -0.49 -0.13 -1.51 0.00 0.00 177.39 173.00 1ugk s ARG 66 N -4.30 3.06 -0.01 3.23 1.81 -1.26 -4.39 118.95 117.08 1ugk s ARG 66 Ca 0.65 -0.80 -0.00 0.00 -1.72 0.00 0.00 55.73 53.87 1ugk s ARG 66 Cb -0.23 -2.69 0.00 0.00 -0.45 0.00 0.00 34.95 31.58 1ugk s ARG 66 CO 0.63 -0.22 0.00 1.63 -0.68 0.00 0.00 175.30 176.66 1ugk n LYS 67 N 4.66 -0.57 -3.15 3.54 5.02 -1.11 -4.96 118.16 121.59 1ugk n LYS 67 Ca -0.20 0.94 0.06 0.00 -2.02 0.00 0.00 58.31 57.08 1ugk n LYS 67 Cb 0.50 -1.17 -0.02 0.00 -0.02 0.00 0.00 35.03 34.32 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 -0.88 -0.19 0.37 -0.18 -1.32 0.76 -4.78 115.64 109.42 1ugk s THR 68 Ca -0.00 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.52 1ugk s THR 68 Cb 0.00 -0.91 0.25 0.00 -1.51 0.00 0.00 72.50 70.33 1ugk s THR 68 CO 0.04 0.00 2.01 -0.07 -2.21 0.00 0.00 174.62 174.39 1ugk h LEU 69 N 7.91 0.58 -7.17 9.08 -0.00 -1.87 -3.23 115.31 120.61 1ugk h LEU 69 Ca -0.11 -0.03 -0.65 0.00 -0.00 0.00 0.00 57.88 57.09 1ugk h LEU 69 Cb 1.18 -0.15 -0.40 0.00 -0.00 0.00 0.00 40.66 41.29 1ugk h LEU 69 CO -0.16 0.45 -0.43 -1.81 -0.00 0.00 0.00 178.44 176.49 1ugk s ASP 70 N -6.60 5.17 0.48 -0.43 1.01 -1.26 -3.99 116.67 111.04 1ugk s ASP 70 Ca -0.09 -3.79 -0.20 0.00 0.71 0.00 0.00 52.55 49.18 1ugk s ASP 70 Cb 0.17 -1.72 -0.09 0.00 1.01 0.00 0.00 42.92 42.30 1ugk s ASP 70 CO 0.75 -0.12 1.04 -2.16 0.21 0.00 0.00 175.17 174.89 1ugk s PRO 71 N -1.38 3.82 -0.30 8.23 0.04 -1.22 -4.86 135.00 139.33 1ugk s PRO 71 Ca 0.25 1.37 0.02 0.00 0.04 0.00 0.00 61.00 62.68 1ugk s PRO 71 Cb -0.06 -2.12 0.09 0.00 0.04 0.00 0.00 34.50 32.45 1ugk s PRO 71 CO -0.15 -0.42 0.03 0.00 0.04 0.00 0.00 177.00 176.50 1ugk s ALA 72 N -1.96 2.26 -0.14 8.56 0.00 -1.26 -2.01 121.76 127.20 1ugk s ALA 72 Ca 0.67 -1.95 -0.17 0.00 0.00 0.00 0.00 51.96 50.51 1ugk s ALA 72 Cb -0.17 -1.71 -0.25 0.00 0.00 0.00 0.00 23.12 21.00 1ugk s ALA 72 CO 0.20 -1.53 0.44 0.74 0.00 0.00 0.00 175.76 175.61 1ugk h PHE 73 N 7.84 0.30 -7.04 0.00 0.04 -1.78 -3.48 116.94 112.82 1ugk h PHE 73 Ca -0.11 -0.22 -0.61 0.00 2.80 0.00 0.00 57.97 59.84 1ugk h PHE 73 Cb 1.03 -0.01 -0.24 0.00 2.20 0.00 0.00 35.95 38.93 1ugk h PHE 73 CO 0.45 1.54 -0.94 -3.47 -0.60 0.00 0.00 178.31 175.30 1ugk n ASP 74 N -4.03 -0.16 -4.56 2.17 2.03 0.10 -4.91 116.55 107.19 1ugk n ASP 74 Ca -0.27 -1.23 -0.24 0.00 0.52 0.00 0.00 54.79 53.56 1ugk n ASP 74 Cb 0.84 -1.82 0.13 0.00 -0.72 0.00 0.00 41.12 39.55 1ugk n ASP 74 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1ugk s GLU 75 N -7.24 1.42 -0.12 -0.67 0.41 -0.28 -4.81 118.70 107.40 1ugk s GLU 75 Ca 0.26 -1.12 -0.23 0.00 -0.41 0.00 0.00 54.97 53.47 1ugk s GLU 75 Cb -0.15 -2.26 0.05 0.00 -1.78 0.00 0.00 34.13 29.99 1ugk s GLU 75 CO 0.99 -1.67 0.56 0.99 -0.49 0.00 0.00 175.26 175.65 1ugk s THR 76 N -3.27 0.01 -0.03 3.63 2.01 -1.26 -0.51 115.64 116.22 1ugk s THR 76 Ca 0.69 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.61 1ugk s THR 76 Cb -0.04 -0.83 0.01 0.00 0.01 0.00 0.00 72.50 71.65 1ugk s THR 76 CO 0.46 -0.05 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.91 1ugk s PHE 77 N -0.51 0.82 -0.10 4.92 0.08 -1.25 -5.00 117.98 116.94 1ugk s PHE 77 Ca -0.06 -0.22 -0.01 0.00 0.12 0.00 0.00 56.93 56.76 1ugk s PHE 77 Cb -0.03 -0.65 -0.03 0.00 -0.57 0.00 0.00 43.02 41.74 1ugk s PHE 77 CO 0.05 -0.15 -0.07 0.99 -0.10 0.00 0.00 175.22 175.94 1ugk s THR 78 N 0.55 3.69 -0.15 0.64 2.01 -1.26 -2.71 115.64 118.41 1ugk s THR 78 Ca -0.08 -0.46 -0.03 0.00 0.31 0.00 0.00 61.69 61.43 1ugk s THR 78 Cb -0.11 -2.55 0.05 0.00 0.01 0.00 0.00 72.50 69.90 1ugk s THR 78 CO 0.01 0.56 0.04 -0.36 -0.69 0.00 0.00 174.62 174.18 1ugk s PHE 79 N -0.31 0.66 0.21 4.92 0.08 -0.42 -4.94 117.98 118.19 1ugk s PHE 79 Ca 0.04 -0.49 -0.12 0.00 0.12 0.00 0.00 56.93 56.49 1ugk s PHE 79 Cb -0.13 -0.85 -0.07 0.00 -0.57 0.00 0.00 43.02 41.40 1ugk s PHE 79 CO 0.02 -0.49 0.58 0.71 -0.10 0.00 0.00 175.22 175.94 1ugk s TYR 80 N 1.98 3.48 0.00 0.36 2.02 -1.26 -0.55 117.35 123.38 1ugk s TYR 80 Ca 0.02 0.99 0.00 0.00 -0.37 0.00 0.00 57.07 57.70 1ugk s TYR 80 Cb -0.15 -2.34 0.00 0.00 -0.40 0.00 0.00 41.96 39.07 1ugk s TYR 80 CO -0.07 0.30 0.00 0.41 -1.57 0.00 0.00 175.55 174.62 1ugk n GLY 81 N 0.17 3.15 3.50 0.71 0.00 -0.03 -4.97 105.19 107.72 1ugk n GLY 81 Ca -0.01 -0.86 -0.51 0.00 0.00 0.00 0.00 46.02 44.64 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 0.24 -2.52 -0.61 5.41 -1.22 -4.89 119.36 115.78 1ugk n ILE 82 Ca 0.00 -0.22 -0.39 0.00 1.00 0.00 0.00 62.75 63.14 1ugk n ILE 82 Cb 0.00 -1.62 -0.04 0.00 -0.71 0.00 0.00 39.64 37.27 1ugk n ILE 82 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1ugk s PRO 83 N 5.70 4.43 0.49 0.38 0.04 -1.26 -4.21 135.00 140.57 1ugk s PRO 83 Ca 1.07 1.66 0.28 0.00 0.04 0.00 0.00 61.00 64.05 1ugk s PRO 83 Cb -0.87 -2.90 1.37 0.00 0.04 0.00 0.00 34.50 32.14 1ugk s PRO 83 CO 0.51 0.07 1.83 -0.92 0.04 0.00 0.00 177.00 178.53 1ugk h TYR 84 N 3.24 0.23 0.00 0.56 3.20 -1.91 1.57 116.97 123.86 1ugk h TYR 84 Ca -0.47 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.40 1ugk h TYR 84 Cb 1.21 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.42 1ugk h TYR 84 CO 0.58 0.03 0.00 1.79 -1.64 0.00 0.00 178.16 178.92 1ugk h THR 85 N 0.14 0.00 0.00 1.81 1.35 -2.00 -2.01 112.91 112.21 1ugk h THR 85 Ca 0.52 -0.45 -0.00 0.00 -0.55 0.00 0.00 66.41 65.92 1ugk h THR 85 Cb 1.77 1.42 -0.00 0.00 -1.73 0.00 0.00 68.15 69.61 1ugk h THR 85 CO -0.10 0.00 -0.82 -0.61 -0.25 0.00 0.00 175.52 173.74 1ugk h GLN 86 N 0.00 0.00 -0.39 4.72 4.15 0.19 -3.36 115.11 120.43 1ugk h GLN 86 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.50 1ugk h GLN 86 Cb 0.46 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.07 1ugk h GLN 86 CO 0.00 0.00 -0.15 0.82 -1.93 0.00 0.00 178.83 177.57 1ugk h ILE 87 N 0.00 0.51 0.00 2.39 1.08 -0.85 1.08 117.51 121.71 1ugk h ILE 87 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1ugk h ILE 87 Cb 1.00 0.51 0.00 0.00 -3.07 0.00 0.00 36.82 35.26 1ugk h ILE 87 CO 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.46 1ugk n GLN 88 N -5.34 0.07 -0.28 2.37 6.02 -1.25 0.63 117.38 119.59 1ugk n GLN 88 Ca 0.02 0.56 0.09 0.00 -0.01 0.00 0.00 57.00 57.66 1ugk n GLN 88 Cb 0.25 -1.72 0.25 0.00 1.02 0.00 0.00 30.24 30.05 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 -1.86 2.78 -3.44 -1.09 -0.58 0.36 -3.19 120.64 113.63 1ugk n GLU 89 Ca -0.01 -2.39 -0.23 0.00 -0.42 0.00 0.00 57.16 54.11 1ugk n GLU 89 Cb 0.02 -1.44 0.03 0.00 -0.57 0.00 0.00 31.44 29.48 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 1.15 0.00 -3.18 -4.62 4.77 0.21 -4.16 117.00 111.17 1ugk n LEU 90 Ca 0.19 -2.68 0.04 0.00 -0.03 0.00 0.00 56.01 53.53 1ugk n LEU 90 Cb 0.54 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.39 1ugk n LEU 90 CO 0.13 -0.64 0.91 0.00 -1.33 0.00 0.00 177.39 176.46 1ugk s ALA 91 N -2.74 -3.31 -0.28 -1.18 0.00 -0.20 -2.87 121.76 111.18 1ugk s ALA 91 Ca 0.43 1.77 -0.25 0.00 0.00 0.00 0.00 51.96 53.91 1ugk s ALA 91 Cb -0.03 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.78 1ugk s ALA 91 CO 0.27 -0.99 0.84 -0.51 0.00 0.00 0.00 175.76 175.37 1ugk s LEU 92 N 2.09 4.07 -0.47 0.00 2.01 -0.87 0.14 118.68 125.65 1ugk s LEU 92 Ca 0.00 0.87 -0.16 0.00 0.01 0.00 0.00 54.13 54.86 1ugk s LEU 92 Cb -0.01 -3.18 0.07 0.00 0.01 0.00 0.00 46.19 43.09 1ugk s LEU 92 CO -0.16 -0.60 0.40 -2.28 1.01 0.00 0.00 176.35 174.72 1ugk s HIS 93 N 2.98 3.24 -0.11 0.29 2.46 -0.12 -1.31 115.29 122.72 1ugk s HIS 93 Ca 0.35 -0.93 -0.11 0.00 0.47 0.00 0.00 55.06 54.84 1ugk s HIS 93 Cb -0.14 -3.19 -0.05 0.00 -0.13 0.00 0.00 32.58 29.07 1ugk s HIS 93 CO 0.10 -0.80 0.23 -0.06 -2.47 0.00 0.00 174.74 171.75 1ugk s PHE 94 N 1.65 3.57 -0.19 3.88 0.08 0.46 -2.59 117.98 124.84 1ugk s PHE 94 Ca 0.04 0.62 -0.00 0.00 0.12 0.00 0.00 56.93 57.71 1ugk s PHE 94 Cb -0.24 -2.14 0.05 0.00 -0.57 0.00 0.00 43.02 40.11 1ugk s PHE 94 CO 0.07 0.54 -0.06 0.99 -0.10 0.00 0.00 175.22 176.66 1ugk s THR 95 N -0.50 1.26 -1.17 0.64 2.01 -0.94 0.20 115.64 117.14 1ugk s THR 95 Ca 0.16 -0.82 -0.17 0.00 0.31 0.00 0.00 61.69 61.17 1ugk s THR 95 Cb -0.13 -1.46 0.12 0.00 0.01 0.00 0.00 72.50 71.04 1ugk s THR 95 CO 0.05 0.06 1.47 -0.63 -0.69 0.00 0.00 174.62 174.88 1ugk s ILE 96 N 1.55 4.61 0.43 1.82 1.09 0.90 -2.20 121.20 129.41 1ugk s ILE 96 Ca -0.01 -2.07 0.06 0.00 -1.10 0.00 0.00 60.65 57.53 1ugk s ILE 96 Cb -0.16 -4.98 -0.06 0.00 -1.06 0.00 0.00 42.46 36.19 1ugk s ILE 96 CO -0.07 -1.75 0.05 -1.48 -0.10 0.00 0.00 174.94 171.58 1ugk s LEU 97 N 2.85 2.81 0.06 2.97 2.34 -1.18 -0.98 118.68 127.55 1ugk s LEU 97 Ca 0.44 -1.37 0.07 0.00 0.06 0.00 0.00 54.13 53.33 1ugk s LEU 97 Cb -0.01 -0.97 -0.04 0.00 -0.56 0.00 0.00 46.19 44.62 1ugk s LEU 97 CO -0.00 -0.56 -0.15 -0.55 -1.06 0.00 0.00 176.35 174.03 1ugk s SER 98 N -3.79 4.04 -0.33 1.48 0.15 0.11 -1.03 113.70 114.33 1ugk s SER 98 Ca 0.31 -0.41 -0.21 0.00 0.70 0.00 0.00 55.95 56.34 1ugk s SER 98 Cb 0.07 -0.70 -0.00 0.00 -1.71 0.00 0.00 66.02 63.68 1ugk s SER 98 CO 0.16 0.23 0.67 0.12 1.20 0.00 0.00 173.24 175.62 1ugk s PHE 99 N -1.03 3.17 0.09 3.44 2.19 -1.22 -3.02 117.98 121.61 1ugk s PHE 99 Ca 0.17 0.51 0.05 0.00 0.33 0.00 0.00 56.93 57.99 1ugk s PHE 99 Cb -0.11 -3.12 -0.04 0.00 -1.31 0.00 0.00 43.02 38.44 1ugk s PHE 99 CO 0.08 -0.58 -0.02 0.34 1.83 0.00 0.00 175.22 176.87 1ugk s ASP 100 N 1.72 4.88 1.29 6.13 -1.08 -0.98 -4.86 116.67 123.77 1ugk s ASP 100 Ca 0.26 -0.23 -0.18 0.00 -0.52 0.00 0.00 52.55 51.88 1ugk s ASP 100 Cb -0.14 -1.11 0.31 0.00 -1.46 0.00 0.00 42.92 40.51 1ugk s ASP 100 CO 0.14 0.18 0.79 -2.11 0.52 0.00 0.00 175.17 174.68 1ugk n ARG 101 N 0.60 -3.42 0.00 4.34 0.00 -1.26 -3.36 116.66 113.55 1ugk n ARG 101 Ca -0.11 -1.00 0.00 0.00 -0.00 0.00 0.00 57.85 56.74 1ugk n ARG 101 Cb 0.52 -1.96 0.00 0.00 -0.00 0.00 0.00 32.46 31.02 1ugk n ARG 101 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1ugk n PHE 102 N -5.27 0.00 0.00 2.89 3.72 -1.26 -3.39 117.46 114.16 1ugk n PHE 102 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1ugk n PHE 102 Cb 0.56 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 1ugk n PHE 102 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1ugk n SER 103 N 1.50 0.00 -3.82 4.37 3.41 -1.21 -5.14 113.62 112.72 1ugk n SER 103 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 1ugk n SER 103 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1ugk n SER 103 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ugk n ARG 104 N 0.00 0.00 -3.58 4.33 1.74 -1.22 -4.59 116.66 113.34 1ugk n ARG 104 Ca 0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 1ugk n ARG 104 Cb 0.00 -0.88 -0.16 0.00 -1.02 0.00 0.00 32.46 30.40 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 -0.88 2.02 -0.41 0.55 1.47 -1.26 -2.33 116.67 115.83 1ugk s ASP 105 Ca 0.54 -0.47 -0.29 0.00 1.18 0.00 0.00 52.55 53.51 1ugk s ASP 105 Cb -0.68 -0.07 0.01 0.00 -0.34 0.00 0.00 42.92 41.85 1ugk s ASP 105 CO 0.53 -0.34 1.41 -1.81 0.68 0.00 0.00 175.17 175.63 1ugk s ASP 106 N 2.19 6.35 0.32 2.11 1.01 -1.17 -4.78 116.67 122.70 1ugk s ASP 106 Ca 0.03 0.84 -0.19 0.00 0.71 0.00 0.00 52.55 53.94 1ugk s ASP 106 Cb -0.16 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.14 1ugk s ASP 106 CO -0.10 -1.42 0.81 -0.63 0.21 0.00 0.00 175.17 174.04 1ugk s ILE 107 N 5.38 4.52 -0.20 0.77 1.01 -1.26 -0.71 121.20 130.71 1ugk s ILE 107 Ca 0.61 1.29 -0.04 0.00 0.00 0.00 0.00 60.65 62.51 1ugk s ILE 107 Cb -0.14 -3.74 -0.11 0.00 0.01 0.00 0.00 42.46 38.48 1ugk s ILE 107 CO 0.32 -0.05 -0.22 -0.38 0.00 0.00 0.00 174.94 174.62 1ugk n ILE 108 N 0.03 1.13 -3.61 2.92 5.41 -0.15 -4.91 119.36 120.18 1ugk n ILE 108 Ca 0.02 -0.37 -0.04 0.00 1.00 0.00 0.00 62.75 63.37 1ugk n ILE 108 Cb 0.52 -1.46 -0.02 0.00 -0.71 0.00 0.00 39.64 37.98 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 -5.66 -0.36 0.36 7.39 0.00 -0.91 -4.69 107.32 103.46 1ugk s GLY 109 Ca -0.28 0.88 0.08 0.00 0.00 0.00 0.00 44.72 45.41 1ugk s GLY 109 CO 0.41 0.26 0.09 -0.54 0.00 0.00 0.00 173.10 173.32 1ugk s GLU 110 N -2.83 2.19 0.01 2.90 8.01 -1.24 -0.07 118.70 127.67 1ugk s GLU 110 Ca 0.10 -1.72 -0.16 0.00 0.01 0.00 0.00 54.97 53.20 1ugk s GLU 110 Cb 0.00 -2.00 0.03 0.00 -4.31 0.00 0.00 34.13 27.84 1ugk s GLU 110 CO -0.04 0.07 0.35 0.08 0.01 0.00 0.00 175.26 175.73 1ugk s VAL 111 N -2.51 0.06 -0.11 2.63 1.01 0.54 -4.32 120.40 117.70 1ugk s VAL 111 Ca 0.37 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 1ugk s VAL 111 Cb 0.00 -0.81 0.03 0.00 0.00 0.00 0.00 36.38 35.60 1ugk s VAL 111 CO 0.21 -0.28 0.28 -0.22 0.00 0.00 0.00 175.10 175.09 1ugk s LEU 112 N -1.70 0.87 -0.33 3.92 2.96 -1.26 -0.40 118.68 122.74 1ugk s LEU 112 Ca -0.09 0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 54.38 1ugk s LEU 112 Cb -0.03 0.96 0.12 0.00 0.50 0.00 0.00 46.19 47.74 1ugk s LEU 112 CO 0.01 -0.10 0.17 -0.51 -1.32 0.00 0.00 176.35 174.59 1ugk s ILE 113 N 0.24 0.39 -0.12 6.68 1.10 -0.42 -4.99 121.20 124.08 1ugk s ILE 113 Ca -0.01 -1.45 -0.30 0.00 -0.51 0.00 0.00 60.65 58.39 1ugk s ILE 113 Cb -0.03 -1.30 -0.02 0.00 0.15 0.00 0.00 42.46 41.26 1ugk s ILE 113 CO -0.00 -0.83 1.25 -2.16 -2.11 0.00 0.00 174.94 171.09 1ugk s PRO 114 N 1.42 4.28 0.00 3.50 0.04 -1.26 -2.04 135.00 140.94 1ugk s PRO 114 Ca 0.13 1.69 0.23 0.00 0.04 0.00 0.00 61.00 63.09 1ugk s PRO 114 Cb -0.20 -3.68 1.37 0.00 0.04 0.00 0.00 34.50 32.03 1ugk s PRO 114 CO -0.17 -0.61 1.85 1.28 0.04 0.00 0.00 177.00 179.39 1ugk n LEU 115 N 6.04 0.00 -4.55 -3.56 4.77 -1.14 -4.64 117.00 113.92 1ugk n LEU 115 Ca 0.13 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.75 1ugk n LEU 115 Cb 0.45 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 1ugk n LEU 115 CO 0.56 0.00 1.64 -0.55 -1.33 0.00 0.00 177.39 177.71 1ugk s SER 116 N -1.76 5.05 0.00 -1.43 0.15 -1.19 -1.68 113.70 112.83 1ugk s SER 116 Ca 0.34 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.33 1ugk s SER 116 Cb 0.16 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 1ugk s SER 116 CO 0.26 -2.57 0.00 0.61 1.20 0.00 0.00 173.24 172.74 1ugk n GLY 117 N 5.94 1.30 3.76 9.45 0.00 -1.26 -5.04 105.19 119.34 1ugk n GLY 117 Ca 0.27 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 1.97 -4.09 -0.61 2.08 -0.67 -4.99 119.36 113.06 1ugk n ILE 118 Ca 0.00 -0.49 -0.32 0.00 0.56 0.00 0.00 62.75 62.49 1ugk n ILE 118 Cb 0.00 -1.92 -0.16 0.00 -0.75 0.00 0.00 39.64 36.81 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 -2.04 2.56 -0.14 0.38 -1.05 -1.26 -4.86 118.70 112.29 1ugk s GLU 119 Ca 0.54 -1.07 0.15 0.00 -0.15 0.00 0.00 54.97 54.44 1ugk s GLU 119 Cb -0.49 -2.70 0.57 0.00 -0.44 0.00 0.00 34.13 31.07 1ugk s GLU 119 CO 0.63 -0.39 1.48 1.28 0.95 0.00 0.00 175.26 179.21 1ugk n LEU 120 N 4.54 4.17 0.11 1.83 4.77 -1.26 -4.55 117.00 126.61 1ugk n LEU 120 Ca -0.17 -2.69 -0.12 0.00 -0.03 0.00 0.00 56.01 52.99 1ugk n LEU 120 Cb 0.46 -0.51 -0.08 0.00 -2.33 0.00 0.00 43.42 40.96 1ugk n LEU 120 CO 0.23 0.71 0.49 0.77 -1.33 0.00 0.00 177.39 178.26 1ugk h SER 121 N 2.65 -0.28 -0.44 -1.43 4.64 -1.98 -3.26 113.55 113.45 1ugk h SER 121 Ca 0.00 -0.24 0.09 0.00 -0.47 0.00 0.00 61.79 61.16 1ugk h SER 121 Cb 1.39 0.07 -0.10 0.00 -0.31 0.00 0.00 62.40 63.46 1ugk h SER 121 CO 0.22 0.16 -0.26 -0.33 -0.87 0.00 0.00 176.83 175.75 1ugk h GLU 122 N -0.79 -0.17 0.00 4.77 4.39 -2.03 -3.46 114.58 117.28 1ugk h GLU 122 Ca -0.03 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1ugk h GLU 122 Cb 0.51 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1ugk h GLU 122 CO 0.06 -0.11 0.00 0.41 -1.16 0.00 0.00 179.01 178.20 1ugk n GLY 123 N -1.41 2.38 3.36 -3.84 0.00 -1.23 -5.13 105.19 99.32 1ugk n GLY 123 Ca 0.03 -0.72 -0.44 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.65 0.09 -4.16 1.61 4.81 -1.26 -4.81 118.16 113.79 1ugk n LYS 124 Ca 0.00 0.03 -0.15 0.00 -0.87 0.00 0.00 58.31 57.32 1ugk n LYS 124 Cb 0.00 -1.07 -0.13 0.00 0.02 0.00 0.00 35.03 33.85 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 -1.07 0.59 0.10 1.64 0.23 -1.20 -5.05 119.30 114.54 1ugk s MET 125 Ca 0.62 -0.58 -0.18 0.00 -1.03 0.00 0.00 55.69 54.52 1ugk s MET 125 Cb -0.76 -0.48 -0.07 0.00 -1.53 0.00 0.00 34.83 32.00 1ugk s MET 125 CO 0.59 0.11 0.57 -1.17 -2.03 0.00 0.00 175.02 173.10 1ugk s LEU 126 N -1.01 4.47 0.02 0.18 1.98 -1.26 -2.88 118.68 120.18 1ugk s LEU 126 Ca -0.04 1.23 -0.04 0.00 -2.89 0.00 0.00 54.13 52.39 1ugk s LEU 126 Cb -0.07 -3.03 -0.01 0.00 0.66 0.00 0.00 46.19 43.73 1ugk s LEU 126 CO 0.00 0.22 0.07 -0.04 -1.89 0.00 0.00 176.35 174.71 1ugk s MET 127 N -1.38 0.49 0.08 1.98 -1.94 0.16 -5.00 119.30 113.68 1ugk s MET 127 Ca 0.32 -0.65 0.01 0.00 -1.71 0.00 0.00 55.69 53.67 1ugk s MET 127 Cb -0.18 0.19 -0.04 0.00 2.01 0.00 0.00 34.83 36.81 1ugk s MET 127 CO 0.19 -0.11 -0.06 0.54 -0.01 0.00 0.00 175.02 175.57 1ugk s ASN 128 N -1.80 1.01 0.01 3.03 4.22 -1.26 -1.54 114.94 118.60 1ugk s ASN 128 Ca -0.10 -0.92 -0.02 0.00 -2.14 0.00 0.00 52.86 49.68 1ugk s ASN 128 Cb -0.05 0.10 -0.01 0.00 1.28 0.00 0.00 41.25 42.57 1ugk s ASN 128 CO -0.02 -0.43 0.03 -0.13 -2.04 0.00 0.00 177.10 174.50 1ugk s ARG 129 N -3.43 0.33 0.01 3.55 1.81 0.09 -4.95 118.95 116.35 1ugk s ARG 129 Ca 0.07 -0.47 -0.13 0.00 -1.72 0.00 0.00 55.73 53.48 1ugk s ARG 129 Cb 0.03 0.12 -0.06 0.00 -0.45 0.00 0.00 34.95 34.60 1ugk s ARG 129 CO -0.04 -0.06 0.39 -1.83 -0.68 0.00 0.00 175.30 173.08 1ugk s GLU 130 N -1.26 3.86 -0.32 3.54 -1.05 -1.26 0.75 118.70 122.96 1ugk s GLU 130 Ca -0.14 0.34 -0.13 0.00 -0.15 0.00 0.00 54.97 54.89 1ugk s GLU 130 Cb -0.08 -3.17 -0.03 0.00 -0.44 0.00 0.00 34.13 30.41 1ugk s GLU 130 CO -0.00 0.67 0.26 0.42 0.95 0.00 0.00 175.26 177.55 1ugk s ILE 131 N -1.14 5.27 0.16 1.83 1.01 0.79 -4.86 121.20 124.25 1ugk s ILE 131 Ca 0.25 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1ugk s ILE 131 Cb -0.16 -3.69 -0.00 0.00 0.01 0.00 0.00 42.46 38.62 1ugk s ILE 131 CO 0.14 0.05 0.03 2.30 0.00 0.00 0.00 174.94 177.45 1ugk n ILE 132 N 5.12 0.00 -2.64 2.92 -6.64 -1.26 -2.78 119.36 114.08 1ugk n ILE 132 Ca -0.12 -0.84 -0.43 0.00 -1.77 0.00 0.00 62.75 59.59 1ugk n ILE 132 Cb 0.50 0.24 0.00 0.00 -1.44 0.00 0.00 39.64 38.94 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 -1.52 4.98 -1.36 7.28 2.88 -1.26 -3.70 113.62 120.92 1ugk n SER 133 Ca -0.05 -2.95 0.16 0.00 -1.33 0.00 0.00 58.87 54.70 1ugk n SER 133 Cb 0.22 -1.65 -0.08 0.00 -0.75 0.00 0.00 64.21 61.95 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 4.53 -2.90 3.78 0.46 0.00 -1.26 -4.81 105.19 104.98 1ugk n GLY 134 Ca 0.43 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 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 -4.32 4.22 -0.10 1.61 0.04 -1.26 -4.99 135.00 130.20 1ugk s PRO 135 Ca 0.00 1.56 -0.32 0.00 0.04 0.00 0.00 61.00 62.28 1ugk s PRO 135 Cb 0.00 -2.63 0.12 0.00 0.04 0.00 0.00 34.50 32.03 1ugk s PRO 135 CO 0.00 -0.10 1.06 0.45 0.04 0.00 0.00 177.00 178.45 1ugk s SER 136 N -1.46 -0.24 0.58 6.66 0.15 -1.26 -5.16 113.70 112.97 1ugk s SER 136 Ca 0.56 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1ugk s SER 136 Cb -0.24 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 1ugk s SER 136 CO 0.30 -0.42 0.00 -0.24 1.20 0.00 0.00 173.24 174.08 1ugk n SER 137 N -0.17 -7.85 0.00 5.45 2.88 -1.26 -5.21 113.62 107.46 1ugk n SER 137 Ca -0.04 1.32 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 1ugk n SER 137 Cb 0.60 -4.77 0.00 0.00 -0.75 0.00 0.00 64.21 59.28 1ugk n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42