#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 -0.33 -0.30 1.61 0.15 -1.26 -5.15 113.70 108.43 1ugk s SER 2 Ca 0.00 0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.71 1ugk s SER 2 Cb 0.00 0.33 0.19 0.00 -1.71 0.00 0.00 66.02 64.83 1ugk s SER 2 CO 0.00 -0.50 0.70 -0.44 1.20 0.00 0.00 173.24 174.20 1ugk s SER 3 N -2.17 -1.24 0.00 5.45 0.01 -1.26 -5.10 113.70 109.39 1ugk s SER 3 Ca 0.04 0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.87 1ugk s SER 3 Cb -0.01 1.96 0.00 0.00 0.21 0.00 0.00 66.02 68.18 1ugk s SER 3 CO -0.06 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1ugk n GLY 4 N 5.41 2.56 3.15 3.44 0.00 -1.26 -5.16 105.19 113.34 1ugk n GLY 4 Ca 0.00 -0.82 0.06 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.11 0.20 1.61 0.15 -1.26 -5.17 113.70 109.12 1ugk s SER 5 Ca 0.00 0.04 0.04 0.00 0.70 0.00 0.00 55.95 56.73 1ugk s SER 5 Cb 0.00 1.08 -0.03 0.00 -1.71 0.00 0.00 66.02 65.35 1ugk s SER 5 CO 0.00 -0.02 0.30 -0.44 1.20 0.00 0.00 173.24 174.28 1ugk s SER 6 N 2.99 6.19 0.00 5.45 0.01 -1.26 -4.99 113.70 122.09 1ugk s SER 6 Ca 0.12 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.45 1ugk s SER 6 Cb -0.04 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.38 1ugk s SER 6 CO -0.15 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1ugk n GLY 7 N -0.94 -0.01 3.41 3.44 0.00 -1.26 -5.03 105.19 104.80 1ugk n GLY 7 Ca -0.08 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 -3.79 0.00 0.99 4.77 -1.26 -4.95 117.00 112.77 1ugk n LEU 8 Ca 0.00 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1ugk n LEU 8 Cb 0.00 -2.10 0.00 0.00 -2.33 0.00 0.00 43.42 38.99 1ugk n LEU 8 CO 0.00 -0.47 0.00 0.61 -1.33 0.00 0.00 177.39 176.20 1ugk n GLY 9 N -0.66 -2.88 3.72 -0.72 0.00 0.66 -4.12 105.19 101.19 1ugk n GLY 9 Ca -0.09 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.72 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 0.00 2.33 -0.09 2.61 2.01 0.22 -2.59 115.64 120.13 1ugk s THR 10 Ca 0.00 -1.73 0.00 0.00 0.31 0.00 0.00 61.69 60.27 1ugk s THR 10 Cb 0.00 -2.99 0.02 0.00 0.01 0.00 0.00 72.50 69.55 1ugk s THR 10 CO 0.00 -0.02 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.63 1ugk s LEU 11 N -3.88 1.15 -0.04 4.42 1.98 -0.51 -2.51 118.68 119.29 1ugk s LEU 11 Ca 0.40 -0.23 -0.01 0.00 -2.89 0.00 0.00 54.13 51.41 1ugk s LEU 11 Cb 0.04 -0.69 -0.04 0.00 0.66 0.00 0.00 46.19 46.17 1ugk s LEU 11 CO 0.22 -0.10 0.03 -0.36 -1.89 0.00 0.00 176.35 174.25 1ugk s PHE 12 N 1.47 3.21 0.01 5.38 0.08 -0.82 -1.33 117.98 125.97 1ugk s PHE 12 Ca -0.01 0.19 -0.28 0.00 0.12 0.00 0.00 56.93 56.95 1ugk s PHE 12 Cb -0.13 -1.76 0.10 0.00 -0.57 0.00 0.00 43.02 40.66 1ugk s PHE 12 CO -0.04 0.51 0.90 -0.59 -0.10 0.00 0.00 175.22 175.90 1ugk s PHE 13 N -1.03 -0.32 -0.05 0.36 -0.71 -0.35 -1.49 117.98 114.38 1ugk s PHE 13 Ca 0.18 0.18 -0.01 0.00 -1.04 0.00 0.00 56.93 56.23 1ugk s PHE 13 Cb -0.12 0.55 0.03 0.00 -1.21 0.00 0.00 43.02 42.27 1ugk s PHE 13 CO 0.08 -0.56 0.03 -1.54 -1.34 0.00 0.00 175.22 171.88 1ugk s SER 14 N -2.52 1.09 0.48 1.98 1.04 -1.09 0.10 113.70 114.78 1ugk s SER 14 Ca 0.06 0.02 -0.19 0.00 0.48 0.00 0.00 55.95 56.31 1ugk s SER 14 Cb -0.01 -0.23 -0.09 0.00 0.10 0.00 0.00 66.02 65.79 1ugk s SER 14 CO -0.08 -0.21 0.98 -0.76 0.98 0.00 0.00 173.24 174.15 1ugk s LEU 15 N 1.88 3.78 -0.22 2.42 2.01 -1.09 -2.65 118.68 124.81 1ugk s LEU 15 Ca 0.02 1.67 -0.24 0.00 0.01 0.00 0.00 54.13 55.59 1ugk s LEU 15 Cb -0.12 -4.53 0.06 0.00 0.01 0.00 0.00 46.19 41.61 1ugk s LEU 15 CO -0.03 -0.52 0.66 -0.70 1.01 0.00 0.00 176.35 176.76 1ugk s GLU 16 N -3.58 0.80 -0.16 1.70 2.12 0.69 -3.20 118.70 117.06 1ugk s GLU 16 Ca 0.61 0.83 0.01 0.00 0.36 0.00 0.00 54.97 56.78 1ugk s GLU 16 Cb -0.10 0.39 0.02 0.00 0.26 0.00 0.00 34.13 34.70 1ugk s GLU 16 CO 0.22 -0.12 -0.17 -0.47 -0.54 0.00 0.00 175.26 174.18 1ugk s TYR 17 N 0.16 2.44 -0.62 5.30 5.04 -1.26 0.21 117.35 128.60 1ugk s TYR 17 Ca -0.01 -1.37 -0.22 0.00 -2.44 0.00 0.00 57.07 53.03 1ugk s TYR 17 Cb -0.04 -1.73 -0.18 0.00 0.35 0.00 0.00 41.96 40.36 1ugk s TYR 17 CO 0.02 -0.70 1.86 -1.71 -1.34 0.00 0.00 175.55 173.67 1ugk n ASN 18 N 4.60 2.38 -0.31 4.32 2.85 0.54 -4.66 115.26 124.98 1ugk n ASN 18 Ca -0.19 -2.60 0.14 0.00 -0.11 0.00 0.00 54.58 51.82 1ugk n ASN 18 Cb 0.50 -0.98 0.31 0.00 1.24 0.00 0.00 39.78 40.85 1ugk n ASN 18 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1ugk h PHE 19 N 8.14 0.63 -0.67 1.20 0.04 -1.93 1.67 116.94 126.01 1ugk h PHE 19 Ca 0.39 0.04 0.14 0.00 2.80 0.00 0.00 57.97 61.34 1ugk h PHE 19 Cb 0.61 -0.14 -0.12 0.00 2.20 0.00 0.00 35.95 38.51 1ugk h PHE 19 CO 1.28 -0.07 -0.02 1.49 -0.60 0.00 0.00 178.31 180.39 1ugk h GLU 20 N 0.38 0.09 -0.30 1.51 4.81 -1.95 0.26 114.58 119.38 1ugk h GLU 20 Ca 0.56 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.72 1ugk h GLU 20 Cb 1.09 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 1ugk h GLU 20 CO -0.54 0.06 -0.00 0.54 -0.73 0.00 0.00 179.01 178.33 1ugk n ARG 21 N -5.33 2.55 -3.81 1.92 1.74 0.52 -4.98 116.66 109.26 1ugk n ARG 21 Ca 0.11 -2.94 -0.29 0.00 -0.77 0.00 0.00 57.85 53.96 1ugk n ARG 21 Cb 0.40 -1.84 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 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 -0.73 -1.11 -4.22 5.56 4.01 0.54 -4.95 118.16 117.25 1ugk n LYS 22 Ca 0.26 0.50 -0.13 0.00 -0.51 0.00 0.00 58.31 58.43 1ugk n LYS 22 Cb 0.95 -2.08 -0.10 0.00 -0.51 0.00 0.00 35.03 33.29 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 -3.11 1.25 -0.10 7.82 0.00 0.10 -4.46 121.76 123.26 1ugk s ALA 23 Ca 0.12 -1.53 -0.04 0.00 0.00 0.00 0.00 51.96 50.52 1ugk s ALA 23 Cb -0.07 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 1ugk s ALA 23 CO 0.85 -0.30 0.05 0.12 0.00 0.00 0.00 175.76 176.49 1ugk s PHE 24 N -3.65 3.32 -0.07 0.00 5.36 0.53 0.20 117.98 123.67 1ugk s PHE 24 Ca 0.21 0.32 -0.01 0.00 -0.96 0.00 0.00 56.93 56.49 1ugk s PHE 24 Cb 0.06 -1.84 0.03 0.00 -0.34 0.00 0.00 43.02 40.92 1ugk s PHE 24 CO 0.02 0.57 -0.03 0.08 -1.46 0.00 0.00 175.22 174.40 1ugk s VAL 25 N -0.94 0.56 -0.43 3.12 1.01 0.56 -0.84 120.40 123.43 1ugk s VAL 25 Ca 0.14 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.10 1ugk s VAL 25 Cb -0.12 -0.66 0.12 0.00 0.00 0.00 0.00 36.38 35.72 1ugk s VAL 25 CO 0.03 0.28 0.19 -0.69 0.00 0.00 0.00 175.10 174.91 1ugk s VAL 26 N 1.67 2.87 0.09 2.92 1.01 -0.97 -0.23 120.40 127.77 1ugk s VAL 26 Ca 0.01 -2.51 -0.26 0.00 0.00 0.00 0.00 61.98 59.22 1ugk s VAL 26 Cb -0.13 -3.00 -0.06 0.00 0.00 0.00 0.00 36.38 33.19 1ugk s VAL 26 CO -0.05 -0.70 0.79 0.21 0.00 0.00 0.00 175.10 175.35 1ugk s ASN 27 N 0.96 7.30 -0.37 3.32 3.84 -1.08 -3.39 114.94 125.52 1ugk s ASN 27 Ca 0.12 1.54 -0.02 0.00 0.21 0.00 0.00 52.86 54.72 1ugk s ASN 27 Cb -0.22 -2.49 0.09 0.00 -0.55 0.00 0.00 41.25 38.09 1ugk s ASN 27 CO -0.05 0.07 0.13 -0.63 -2.79 0.00 0.00 177.10 173.83 1ugk s ILE 28 N -0.40 3.06 0.00 -5.21 1.01 -0.19 -2.69 121.20 116.77 1ugk s ILE 28 Ca 0.38 -1.94 0.00 0.00 0.00 0.00 0.00 60.65 59.09 1ugk s ILE 28 Cb -0.22 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.22 1ugk s ILE 28 CO 0.25 -0.54 0.00 1.17 0.00 0.00 0.00 174.94 175.82 1ugk n LYS 29 N 4.55 2.96 -4.15 2.79 3.00 -0.56 -0.54 118.16 126.20 1ugk n LYS 29 Ca -0.04 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.02 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 2.21 -0.09 1.64 -1.05 -1.24 -2.11 118.70 118.07 1ugk s GLU 30 Ca 0.00 -1.86 0.04 0.00 -0.15 0.00 0.00 54.97 53.00 1ugk s GLU 30 Cb 0.00 -1.97 0.00 0.00 -0.44 0.00 0.00 34.13 31.73 1ugk s GLU 30 CO 0.00 -0.11 -0.22 0.00 0.95 0.00 0.00 175.26 175.88 1ugk s ALA 31 N -2.60 2.00 -0.03 -0.84 0.00 -0.88 -1.95 121.76 117.45 1ugk s ALA 31 Ca 0.41 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.55 1ugk s ALA 31 Cb 0.04 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 1ugk s ALA 31 CO 0.22 0.27 -0.20 1.03 0.00 0.00 0.00 175.76 177.08 1ugk s ARG 32 N 0.34 2.31 0.00 0.00 1.81 -1.04 -3.49 118.95 118.88 1ugk s ARG 32 Ca -0.17 -0.81 0.00 0.00 -1.72 0.00 0.00 55.73 53.03 1ugk s ARG 32 Cb -0.17 -2.21 0.00 0.00 -0.45 0.00 0.00 34.95 32.12 1ugk s ARG 32 CO 0.07 0.59 0.00 0.41 -0.68 0.00 0.00 175.30 175.70 1ugk n GLY 33 N 2.37 0.90 3.71 -3.53 0.00 -1.23 0.73 105.19 108.14 1ugk n GLY 33 Ca -0.17 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.81 4.31 0.10 0.99 1.43 -0.12 0.24 118.68 124.82 1ugk s LEU 34 Ca 0.00 1.21 -0.30 0.00 -1.03 0.00 0.00 54.13 54.01 1ugk s LEU 34 Cb 0.00 -3.11 -0.06 0.00 0.03 0.00 0.00 46.19 43.04 1ugk s LEU 34 CO 0.00 -0.14 1.15 -2.16 0.23 0.00 0.00 176.35 175.43 1ugk s PRO 35 N 0.87 4.50 0.64 1.29 0.04 -1.26 -4.64 135.00 136.44 1ugk s PRO 35 Ca 0.38 1.73 -0.17 0.00 0.04 0.00 0.00 61.00 62.97 1ugk s PRO 35 Cb -0.18 -3.33 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 1ugk s PRO 35 CO 0.18 -0.12 1.22 0.00 0.04 0.00 0.00 177.00 178.33 1ugk s ALA 36 N 0.57 2.39 0.00 8.56 0.00 -1.26 -4.93 121.76 127.09 1ugk s ALA 36 Ca 0.55 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1ugk s ALA 36 Cb -0.29 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1ugk s ALA 36 CO 0.31 -1.45 0.00 -1.33 0.00 0.00 0.00 175.76 173.29 1ugk n MET 37 N -1.99 0.00 -2.73 0.00 2.81 -1.25 -5.00 117.12 108.96 1ugk n MET 37 Ca 0.14 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.66 1ugk n MET 37 Cb 0.50 -0.84 -0.06 0.00 -0.71 0.00 0.00 33.22 32.11 1ugk n MET 37 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1ugk s ASP 38 N -3.99 7.23 -0.86 7.83 -1.08 -1.00 -4.98 116.67 119.81 1ugk s ASP 38 Ca 0.00 1.89 0.01 0.00 -0.52 0.00 0.00 52.55 53.93 1ugk s ASP 38 Cb 0.00 -2.58 0.32 0.00 -1.46 0.00 0.00 42.92 39.20 1ugk s ASP 38 CO 0.00 -0.15 1.47 -0.62 0.52 0.00 0.00 175.17 176.39 1ugk n GLU 39 N 0.46 4.54 0.01 4.34 1.02 -1.26 -3.94 120.64 125.81 1ugk n GLU 39 Ca 0.02 -4.74 0.00 0.00 -0.02 0.00 0.00 57.16 52.43 1ugk n GLU 39 Cb 0.50 -2.38 0.00 0.00 -0.02 0.00 0.00 31.44 29.53 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 -0.04 0.00 -1.71 3.49 6.02 -1.26 -4.91 117.38 118.97 1ugk n GLN 40 Ca 0.40 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 57.30 1ugk n GLN 40 Cb 0.31 -0.05 0.08 0.00 1.02 0.00 0.00 30.24 31.60 1ugk n GLN 40 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ugk n SER 41 N -2.62 3.04 -3.62 1.08 2.88 -1.26 -4.97 113.62 108.14 1ugk n SER 41 Ca 0.00 -3.31 -0.28 0.00 -1.33 0.00 0.00 58.87 53.95 1ugk n SER 41 Cb 0.00 -0.41 0.04 0.00 -0.75 0.00 0.00 64.21 63.09 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 -1.84 -3.83 -1.46 1.56 -1.26 -4.98 117.12 104.63 1ugk n MET 42 Ca 0.27 0.54 -0.09 0.00 -0.27 0.00 0.00 57.70 58.15 1ugk n MET 42 Cb 0.88 -4.53 0.01 0.00 2.15 0.00 0.00 33.22 31.73 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 -3.50 0.00 0.24 1.12 -1.32 -1.25 -4.91 115.64 106.02 1ugk s THR 43 Ca 0.41 -1.03 -0.21 0.00 -1.21 0.00 0.00 61.69 59.65 1ugk s THR 43 Cb -0.13 -2.73 0.06 0.00 -1.51 0.00 0.00 72.50 68.20 1ugk s THR 43 CO 0.84 0.00 0.93 -0.94 -2.21 0.00 0.00 174.62 173.24 1ugk s SER 44 N -3.05 -0.05 -0.70 8.08 1.04 -1.26 -2.38 113.70 115.38 1ugk s SER 44 Ca 0.16 -0.75 0.05 0.00 0.48 0.00 0.00 55.95 55.89 1ugk s SER 44 Cb -0.05 0.61 0.23 0.00 0.10 0.00 0.00 66.02 66.91 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 -1.07 3.70 -4.82 7.02 8.00 -1.25 -1.01 116.55 127.12 1ugk n ASP 45 Ca -0.05 -3.36 -0.31 0.00 0.71 0.00 0.00 54.79 51.78 1ugk n ASP 45 Cb 0.60 -0.75 0.05 0.00 -0.02 0.00 0.00 41.12 41.00 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 -2.13 2.95 -0.24 -0.24 0.04 -1.26 -2.00 135.00 132.11 1ugk s PRO 46 Ca 0.34 0.96 -0.19 0.00 0.04 0.00 0.00 61.00 62.15 1ugk s PRO 46 Cb 0.07 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.69 1ugk s PRO 46 CO -0.06 -1.09 0.62 1.52 0.04 0.00 0.00 177.00 178.03 1ugk s TYR 47 N -3.04 -0.77 -0.11 0.56 1.13 -1.20 -3.80 117.35 110.12 1ugk s TYR 47 Ca 0.58 1.76 -0.18 0.00 -1.41 0.00 0.00 57.07 57.82 1ugk s TYR 47 Cb -0.14 0.33 -0.04 0.00 -1.10 0.00 0.00 41.96 41.01 1ugk s TYR 47 CO 0.55 -0.38 0.48 0.42 -2.51 0.00 0.00 175.55 174.11 1ugk s ILE 48 N 0.74 5.17 -0.08 -3.49 1.01 -1.26 -2.47 121.20 120.82 1ugk s ILE 48 Ca -0.03 0.96 -0.13 0.00 0.00 0.00 0.00 60.65 61.45 1ugk s ILE 48 Cb -0.05 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 1ugk s ILE 48 CO -0.05 0.34 0.33 -0.54 0.00 0.00 0.00 174.94 175.01 1ugk s LYS 49 N 0.53 3.98 -0.09 2.79 1.02 -0.09 -1.75 119.74 126.14 1ugk s LYS 49 Ca 0.26 0.21 -0.03 0.00 0.02 0.00 0.00 55.97 56.43 1ugk s LYS 49 Cb -0.15 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 1ugk s LYS 49 CO 0.11 0.51 0.06 1.41 -0.92 0.00 0.00 175.35 176.52 1ugk s MET 50 N -0.41 3.16 -0.20 1.68 -2.45 0.52 -2.07 119.30 119.51 1ugk s MET 50 Ca 0.20 -0.32 -0.15 0.00 -1.25 0.00 0.00 55.69 54.17 1ugk s MET 50 Cb -0.14 -2.94 0.06 0.00 1.25 0.00 0.00 34.83 33.05 1ugk s MET 50 CO 0.08 0.72 0.52 0.99 1.05 0.00 0.00 175.02 178.39 1ugk s THR 51 N -0.97 -0.01 -0.71 10.11 2.01 -1.17 -1.68 115.64 123.21 1ugk s THR 51 Ca 0.15 0.03 -0.17 0.00 0.31 0.00 0.00 61.69 62.00 1ugk s THR 51 Cb -0.12 -0.74 0.14 0.00 0.01 0.00 0.00 72.50 71.79 1ugk s THR 51 CO 0.04 0.01 0.79 -0.63 -0.69 0.00 0.00 174.62 174.15 1ugk s ILE 52 N 0.81 5.02 0.44 1.82 1.01 -1.19 -1.05 121.20 128.06 1ugk s ILE 52 Ca -0.04 -1.51 -0.08 0.00 0.00 0.00 0.00 60.65 59.02 1ugk s ILE 52 Cb -0.05 -4.53 -0.05 0.00 0.01 0.00 0.00 42.46 37.83 1ugk s ILE 52 CO -0.06 -1.16 0.77 -0.76 0.00 0.00 0.00 174.94 173.73 1ugk s LEU 53 N 1.99 3.73 0.02 2.97 2.01 0.35 0.26 118.68 130.01 1ugk s LEU 53 Ca 0.17 1.03 -0.19 0.00 0.01 0.00 0.00 54.13 55.15 1ugk s LEU 53 Cb -0.17 -3.95 -0.22 0.00 0.01 0.00 0.00 46.19 41.86 1ugk s LEU 53 CO -0.01 -0.48 1.15 1.55 1.01 0.00 0.00 176.35 179.57 1ugk h PRO 54 N 0.78 0.46 0.00 1.29 0.13 -1.84 0.60 132.00 133.42 1ugk h PRO 54 Ca -0.47 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.22 1ugk h PRO 54 Cb 1.20 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1ugk h PRO 54 CO 0.63 1.09 0.00 -0.85 -0.23 0.00 0.00 178.00 178.64 1ugk n GLU 55 N -4.21 0.00 -1.06 0.86 0.00 -1.22 -4.60 120.64 110.41 1ugk n GLU 55 Ca -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.04 1ugk n GLU 55 Cb 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 32.09 1ugk n GLU 55 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1ugk n LYS 56 N -2.86 -0.72 0.00 3.44 4.81 0.72 -4.93 118.16 118.62 1ugk n LYS 56 Ca 0.00 0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1ugk n LYS 56 Cb 0.00 -4.00 0.00 0.00 0.02 0.00 0.00 35.03 31.05 1ugk n LYS 56 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1ugk n LYS 57 N -1.80 0.00 -1.53 1.64 0.00 -1.25 -4.41 118.16 110.82 1ugk n LYS 57 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 58.07 1ugk n LYS 57 Cb 0.21 -0.78 -0.13 0.00 0.00 0.00 0.00 35.03 34.33 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 -0.46 0.75 -3.77 5.64 8.25 -1.26 -4.86 115.22 119.51 1ugk n HIS 58 Ca 0.00 0.05 -0.36 0.00 -0.26 0.00 0.00 57.72 57.15 1ugk n HIS 58 Cb 0.00 -1.89 -0.10 0.00 1.12 0.00 0.00 29.99 29.11 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 8.21 3.95 0.03 -0.41 1.02 -1.26 -3.17 119.74 128.11 1ugk s LYS 59 Ca 1.11 -0.33 -0.12 0.00 0.02 0.00 0.00 55.97 56.65 1ugk s LYS 59 Cb -0.49 -3.42 0.01 0.00 -0.52 0.00 0.00 37.83 33.41 1ugk s LYS 59 CO 0.31 0.05 0.25 0.14 -0.92 0.00 0.00 175.35 175.18 1ugk s VAL 60 N 1.03 0.09 0.11 3.17 -7.23 -0.68 -5.04 120.40 111.86 1ugk s VAL 60 Ca 0.06 -0.74 0.03 0.00 -1.81 0.00 0.00 61.98 59.52 1ugk s VAL 60 Cb -0.14 -0.85 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 1ugk s VAL 60 CO 0.04 -0.41 -0.09 -1.59 -0.31 0.00 0.00 175.10 172.74 1ugk s LYS 61 N -2.33 0.89 0.15 4.82 0.00 -1.26 0.20 119.74 122.21 1ugk s LYS 61 Ca -0.07 -1.26 -0.15 0.00 0.00 0.00 0.00 55.97 54.49 1ugk s LYS 61 Cb -0.02 -0.48 -0.07 0.00 0.00 0.00 0.00 37.83 37.26 1ugk s LYS 61 CO -0.02 0.06 0.57 0.95 0.00 0.00 0.00 175.35 176.91 1ugk s THR 62 N -2.90 4.81 0.37 3.79 -4.23 -0.72 -4.90 115.64 111.87 1ugk s THR 62 Ca 0.09 0.92 -0.19 0.00 -1.18 0.00 0.00 61.69 61.33 1ugk s THR 62 Cb 0.00 -3.76 -0.14 0.00 1.34 0.00 0.00 72.50 69.94 1ugk s THR 62 CO -0.01 0.26 0.06 -2.11 -0.54 0.00 0.00 174.62 172.29 1ugk n ARG 63 N 0.86 0.00 -3.16 3.99 1.85 -1.26 -4.56 116.66 114.38 1ugk n ARG 63 Ca -0.05 0.00 -0.44 0.00 -1.00 0.00 0.00 57.85 56.35 1ugk n ARG 63 Cb 0.52 -0.91 -0.05 0.00 -1.05 0.00 0.00 32.46 30.96 1ugk n ARG 63 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1ugk s VAL 64 N -1.55 4.89 1.30 8.89 1.01 -1.26 -4.79 120.40 128.88 1ugk s VAL 64 Ca 0.54 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 61.50 1ugk s VAL 64 Cb -0.57 -4.38 0.30 0.00 0.00 0.00 0.00 36.38 31.73 1ugk s VAL 64 CO 0.57 -0.95 0.69 0.18 0.00 0.00 0.00 175.10 175.60 1ugk n LEU 65 N 6.14 -0.79 -3.85 3.92 7.99 -1.25 -5.01 117.00 124.15 1ugk n LEU 65 Ca -0.09 -0.65 -0.28 0.00 -0.01 0.00 0.00 56.01 54.98 1ugk n LEU 65 Cb 0.44 -0.94 -0.16 0.00 -0.11 0.00 0.00 43.42 42.64 1ugk n LEU 65 CO 0.56 -4.05 -0.41 -0.13 -1.51 0.00 0.00 177.39 171.85 1ugk s ARG 66 N -4.45 1.21 -0.10 3.23 1.81 -1.26 -4.59 118.95 114.80 1ugk s ARG 66 Ca 0.56 -0.52 -0.04 0.00 -1.72 0.00 0.00 55.73 54.01 1ugk s ARG 66 Cb -0.11 -2.05 0.02 0.00 -0.45 0.00 0.00 34.95 32.36 1ugk s ARG 66 CO 0.49 -0.50 0.08 1.63 -0.68 0.00 0.00 175.30 176.32 1ugk n LYS 67 N 4.91 -2.45 0.00 3.54 5.02 -0.79 -4.96 118.16 123.42 1ugk n LYS 67 Ca -0.11 2.06 0.00 0.00 -2.02 0.00 0.00 58.31 58.24 1ugk n LYS 67 Cb 0.47 -2.72 0.00 0.00 -0.02 0.00 0.00 35.03 32.76 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 1.87 0.00 1.73 -0.18 5.66 -0.18 -4.83 114.28 118.35 1ugk n THR 68 Ca -0.14 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 60.99 1ugk n THR 68 Cb 0.29 0.00 0.78 0.00 -1.55 0.00 0.00 70.33 69.85 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 -3.59 117.00 118.10 1ugk n LEU 69 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 56.01 55.81 1ugk n LEU 69 Cb 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.28 1ugk n LEU 69 CO 0.00 0.00 -0.18 -0.67 -1.51 0.00 0.00 177.39 175.03 1ugk n ASP 70 N -0.97 0.10 -4.80 -1.43 2.03 -1.26 -0.95 116.55 109.28 1ugk n ASP 70 Ca 0.20 -2.96 -0.34 0.00 0.52 0.00 0.00 54.79 52.21 1ugk n ASP 70 Cb 0.09 -0.28 -0.03 0.00 -0.72 0.00 0.00 41.12 40.19 1ugk n ASP 70 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1ugk s PRO 71 N -1.56 3.72 -0.25 -0.67 0.04 -1.23 -4.87 135.00 130.19 1ugk s PRO 71 Ca 0.36 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1ugk s PRO 71 Cb 0.27 -2.09 0.07 0.00 0.04 0.00 0.00 34.50 32.80 1ugk s PRO 71 CO -0.10 -0.49 0.00 0.00 0.04 0.00 0.00 177.00 176.45 1ugk s ALA 72 N -2.09 1.80 -0.15 8.56 0.00 -1.26 -2.08 121.76 126.55 1ugk s ALA 72 Ca 0.66 -1.42 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 1ugk s ALA 72 Cb -0.16 -1.48 -0.24 0.00 0.00 0.00 0.00 23.12 21.24 1ugk s ALA 72 CO 0.23 -1.34 0.27 1.19 0.00 0.00 0.00 175.76 176.12 1ugk n PHE 73 N 4.73 1.09 -4.28 0.00 3.72 -1.23 -4.97 117.46 116.52 1ugk n PHE 73 Ca -0.08 0.26 -0.32 0.00 -0.05 0.00 0.00 57.45 57.26 1ugk n PHE 73 Cb 0.44 -1.14 -0.09 0.00 -0.94 0.00 0.00 39.48 37.75 1ugk n PHE 73 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ugk n ASP 74 N -3.60 0.53 -4.63 4.37 2.03 0.29 -4.90 116.55 110.64 1ugk n ASP 74 Ca -0.34 -1.26 -0.25 0.00 0.52 0.00 0.00 54.79 53.46 1ugk n ASP 74 Cb 0.99 -1.57 0.11 0.00 -0.72 0.00 0.00 41.12 39.94 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 -7.34 1.61 -0.26 -0.67 2.02 -0.47 -4.83 118.70 108.76 1ugk s GLU 75 Ca 0.04 -0.86 -0.16 0.00 0.02 0.00 0.00 54.97 54.01 1ugk s GLU 75 Cb -0.02 -2.23 0.08 0.00 0.10 0.00 0.00 34.13 32.05 1ugk s GLU 75 CO 0.98 -1.55 0.66 0.99 0.02 0.00 0.00 175.26 176.37 1ugk s THR 76 N -3.26 -0.00 -0.06 3.63 2.01 -1.26 -1.02 115.64 115.67 1ugk s THR 76 Ca 0.66 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.71 1ugk s THR 76 Cb -0.06 -0.95 -0.00 0.00 0.01 0.00 0.00 72.50 71.50 1ugk s THR 76 CO 0.45 0.00 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.85 1ugk s PHE 77 N 1.45 1.88 0.18 4.92 0.08 -1.22 -4.99 117.98 120.28 1ugk s PHE 77 Ca -0.09 -0.60 0.04 0.00 0.12 0.00 0.00 56.93 56.40 1ugk s PHE 77 Cb -0.05 -1.27 -0.04 0.00 -0.57 0.00 0.00 43.02 41.09 1ugk s PHE 77 CO -0.16 -0.22 0.25 0.99 -0.10 0.00 0.00 175.22 175.97 1ugk s THR 78 N 0.15 5.02 -0.19 0.64 2.01 -1.26 -2.29 115.64 119.73 1ugk s THR 78 Ca -0.08 -0.90 -0.16 0.00 0.31 0.00 0.00 61.69 60.86 1ugk s THR 78 Cb -0.13 -3.62 0.05 0.00 0.01 0.00 0.00 72.50 68.81 1ugk s THR 78 CO 0.04 -0.16 0.49 -0.36 -0.69 0.00 0.00 174.62 173.94 1ugk s PHE 79 N -1.82 -0.58 0.07 4.92 0.08 -0.02 -4.96 117.98 115.67 1ugk s PHE 79 Ca 0.33 1.37 0.09 0.00 0.12 0.00 0.00 56.93 58.85 1ugk s PHE 79 Cb -0.10 0.22 -0.03 0.00 -0.57 0.00 0.00 43.02 42.54 1ugk s PHE 79 CO 0.27 -0.29 -0.26 0.71 -0.10 0.00 0.00 175.22 175.55 1ugk s TYR 80 N 0.52 2.25 0.00 0.36 1.51 -1.26 -0.35 117.35 120.38 1ugk s TYR 80 Ca -0.02 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 1ugk s TYR 80 Cb -0.04 -1.31 0.00 0.00 -0.11 0.00 0.00 41.96 40.49 1ugk s TYR 80 CO -0.03 0.17 0.00 0.41 -1.11 0.00 0.00 175.55 175.00 1ugk n GLY 81 N 1.56 1.22 3.68 0.71 0.00 -1.26 -5.04 105.19 106.05 1ugk n GLY 81 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.17 3.23 -1.55 -0.61 1.09 -1.26 -4.84 121.20 116.09 1ugk s ILE 82 Ca 0.00 0.57 0.00 0.00 -1.10 0.00 0.00 60.65 60.12 1ugk s ILE 82 Cb 0.00 -3.36 0.00 0.00 -1.06 0.00 0.00 42.46 38.04 1ugk s ILE 82 CO 0.00 -0.02 0.58 -0.81 -0.10 0.00 0.00 174.94 174.60 1ugk n PRO 83 N 6.10 0.75 0.00 2.79 -0.04 -1.26 -4.80 135.00 138.54 1ugk n PRO 83 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1ugk n PRO 83 Cb 0.41 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.22 0.00 0.25 0.54 9.36 -1.26 -4.25 117.16 121.58 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 0.08 0.00 0.72 0.00 -0.63 0.00 0.00 39.34 39.51 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 -2.01 1.13 112.91 116.35 1ugk h THR 85 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1ugk h THR 85 Cb 0.00 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 1ugk h THR 85 CO 0.00 0.00 -0.40 -0.61 -0.25 0.00 0.00 175.52 174.26 1ugk h GLN 86 N 0.00 0.00 -0.98 4.72 4.15 -1.94 -3.31 115.11 117.75 1ugk h GLN 86 Ca 0.00 0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.59 1ugk h GLN 86 Cb 0.39 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.99 1ugk h GLN 86 CO 0.00 0.00 0.61 0.82 -1.93 0.00 0.00 178.83 178.33 1ugk h ILE 87 N 0.00 0.76 0.00 2.39 1.08 0.99 1.43 117.51 124.16 1ugk h ILE 87 Ca 0.00 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1ugk h ILE 87 Cb 0.80 -0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 1ugk h ILE 87 CO 0.00 0.14 0.00 0.00 -0.69 0.00 0.00 178.15 177.60 1ugk n GLN 88 N -4.67 0.03 -0.21 2.37 6.02 -1.24 -0.76 117.38 118.92 1ugk n GLN 88 Ca 0.21 0.30 0.06 0.00 -0.01 0.00 0.00 57.00 57.56 1ugk n GLN 88 Cb 0.53 -1.50 0.15 0.00 1.02 0.00 0.00 30.24 30.45 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 -1.45 2.79 -3.61 -1.09 -0.58 0.48 -3.12 120.64 114.07 1ugk n GLU 89 Ca 0.03 -2.19 -0.24 0.00 -0.42 0.00 0.00 57.16 54.33 1ugk n GLU 89 Cb 0.10 -1.38 0.02 0.00 -0.57 0.00 0.00 31.44 29.61 1ugk n GLU 89 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1ugk s LEU 90 N -1.59 2.81 -0.29 -4.62 1.43 0.06 -4.05 118.68 112.41 1ugk s LEU 90 Ca 0.25 -1.13 -0.16 0.00 -1.03 0.00 0.00 54.13 52.05 1ugk s LEU 90 Cb 0.17 -1.30 0.17 0.00 0.03 0.00 0.00 46.19 45.26 1ugk s LEU 90 CO 0.10 -1.21 1.08 0.00 0.23 0.00 0.00 176.35 176.56 1ugk s ALA 91 N -2.75 -2.48 -0.38 4.21 0.00 0.21 -2.20 121.76 118.38 1ugk s ALA 91 Ca 0.43 2.10 -0.21 0.00 0.00 0.00 0.00 51.96 54.29 1ugk s ALA 91 Cb -0.03 -1.85 0.01 0.00 0.00 0.00 0.00 23.12 21.25 1ugk s ALA 91 CO 0.27 -0.40 0.65 -0.51 0.00 0.00 0.00 175.76 175.78 1ugk s LEU 92 N 1.33 4.29 -0.49 0.00 2.01 -0.53 0.13 118.68 125.42 1ugk s LEU 92 Ca -0.08 0.05 -0.18 0.00 0.01 0.00 0.00 54.13 53.93 1ugk s LEU 92 Cb -0.03 -2.80 0.06 0.00 0.01 0.00 0.00 46.19 43.43 1ugk s LEU 92 CO -0.13 -0.65 0.57 -2.28 1.01 0.00 0.00 176.35 174.86 1ugk s HIS 93 N 2.78 3.10 -0.45 0.29 2.46 -0.22 -1.52 115.29 121.74 1ugk s HIS 93 Ca 0.25 -0.61 -0.17 0.00 0.47 0.00 0.00 55.06 54.99 1ugk s HIS 93 Cb -0.14 -3.43 0.04 0.00 -0.13 0.00 0.00 32.58 28.92 1ugk s HIS 93 CO 0.16 -0.97 0.45 -0.06 -2.47 0.00 0.00 174.74 171.85 1ugk s PHE 94 N 2.39 3.17 -0.31 3.88 0.08 0.55 -3.07 117.98 124.67 1ugk s PHE 94 Ca 0.13 -0.56 -0.13 0.00 0.12 0.00 0.00 56.93 56.49 1ugk s PHE 94 Cb -0.20 -3.05 -0.03 0.00 -0.57 0.00 0.00 43.02 39.17 1ugk s PHE 94 CO 0.11 -0.78 0.26 0.99 -0.10 0.00 0.00 175.22 175.70 1ugk s THR 95 N 2.07 5.26 -0.98 0.64 2.01 -0.88 -0.13 115.64 123.63 1ugk s THR 95 Ca 0.10 0.06 -0.18 0.00 0.31 0.00 0.00 61.69 61.99 1ugk s THR 95 Cb -0.19 -3.66 0.14 0.00 0.01 0.00 0.00 72.50 68.80 1ugk s THR 95 CO 0.11 0.10 1.17 -0.63 -0.69 0.00 0.00 174.62 174.68 1ugk s ILE 96 N 1.82 4.83 0.00 1.82 1.09 -0.61 -0.91 121.20 129.24 1ugk s ILE 96 Ca 0.08 -1.83 0.00 0.00 -1.10 0.00 0.00 60.65 57.81 1ugk s ILE 96 Cb -0.17 -4.79 0.00 0.00 -1.06 0.00 0.00 42.46 36.45 1ugk s ILE 96 CO 0.11 -1.51 0.00 0.18 -0.10 0.00 0.00 174.94 173.62 1ugk n LEU 97 N 6.24 0.00 -3.31 2.97 4.32 -1.03 0.12 117.00 126.31 1ugk n LEU 97 Ca 0.26 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 56.19 1ugk n LEU 97 Cb 0.48 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.21 1ugk n LEU 97 CO 0.52 -0.27 -0.00 -0.55 -1.22 0.00 0.00 177.39 175.86 1ugk s SER 98 N -1.00 -0.14 -0.04 -1.43 0.15 -1.18 -3.22 113.70 106.84 1ugk s SER 98 Ca 0.00 0.38 -0.10 0.00 0.70 0.00 0.00 55.95 56.93 1ugk s SER 98 Cb 0.00 1.36 -0.05 0.00 -1.71 0.00 0.00 66.02 65.62 1ugk s SER 98 CO 0.00 -0.29 0.29 0.12 1.20 0.00 0.00 173.24 174.56 1ugk s PHE 99 N 2.62 3.65 -0.43 3.44 5.36 -0.85 -4.06 117.98 127.71 1ugk s PHE 99 Ca 0.14 0.75 0.04 0.00 -0.96 0.00 0.00 56.93 56.91 1ugk s PHE 99 Cb -0.15 -2.11 0.29 0.00 -0.34 0.00 0.00 43.02 40.71 1ugk s PHE 99 CO -0.17 0.67 1.11 -0.25 -1.46 0.00 0.00 175.22 175.12 1ugk n ASP 100 N 1.71 -2.19 -0.25 6.13 8.00 -1.26 -3.76 116.55 124.93 1ugk n ASP 100 Ca -0.15 -2.99 0.00 0.00 0.71 0.00 0.00 54.79 52.36 1ugk n ASP 100 Cb 0.53 1.59 -0.00 0.00 -0.02 0.00 0.00 41.12 43.23 1ugk n ASP 100 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1ugk n ARG 101 N 0.98 -0.00 -1.84 -1.24 0.63 -1.26 -4.63 116.66 109.29 1ugk n ARG 101 Ca 0.04 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.92 1ugk n ARG 101 Cb 0.69 -0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.58 1ugk n ARG 101 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1ugk n PHE 102 N -0.51 -1.27 -3.40 -0.14 3.01 -1.26 -2.72 117.46 111.17 1ugk n PHE 102 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.20 1ugk n PHE 102 Cb 0.00 -1.69 0.03 0.00 -0.01 0.00 0.00 39.48 37.81 1ugk n PHE 102 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1ugk n SER 103 N -0.65 -5.86 -4.25 4.37 7.64 -1.26 -4.94 113.62 108.66 1ugk n SER 103 Ca -0.06 0.04 -0.34 0.00 1.01 0.00 0.00 58.87 59.52 1ugk n SER 103 Cb 0.37 -1.61 -0.15 0.00 -1.01 0.00 0.00 64.21 61.81 1ugk n SER 103 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ugk s ARG 104 N -1.94 3.25 -0.51 1.43 1.81 -1.10 -5.06 118.95 116.83 1ugk s ARG 104 Ca 0.25 -0.70 -0.05 0.00 -1.72 0.00 0.00 55.73 53.52 1ugk s ARG 104 Cb -0.03 -2.84 0.13 0.00 -0.45 0.00 0.00 34.95 31.77 1ugk s ARG 104 CO 0.57 -0.17 0.34 0.16 -0.68 0.00 0.00 175.30 175.52 1ugk s ASP 105 N 1.33 5.42 -0.58 0.23 1.47 -1.26 -4.39 116.67 118.89 1ugk s ASP 105 Ca 0.04 -2.30 0.04 0.00 1.18 0.00 0.00 52.55 51.52 1ugk s ASP 105 Cb -0.14 -1.89 0.15 0.00 -0.34 0.00 0.00 42.92 40.69 1ugk s ASP 105 CO -0.06 -0.52 0.36 -1.81 0.68 0.00 0.00 175.17 173.82 1ugk s ASP 106 N 1.67 4.27 -0.42 2.11 1.01 -1.26 -5.01 116.67 119.05 1ugk s ASP 106 Ca 0.11 -3.31 -0.27 0.00 0.71 0.00 0.00 52.55 49.79 1ugk s ASP 106 Cb -0.22 -1.49 -0.05 0.00 1.01 0.00 0.00 42.92 42.17 1ugk s ASP 106 CO -0.03 -0.17 2.14 -0.63 0.21 0.00 0.00 175.17 176.69 1ugk s ILE 107 N -0.66 3.16 0.41 0.77 1.01 -1.26 -3.08 121.20 121.55 1ugk s ILE 107 Ca 0.21 0.13 0.14 0.00 0.00 0.00 0.00 60.65 61.13 1ugk s ILE 107 Cb -0.15 -3.31 0.14 0.00 0.01 0.00 0.00 42.46 39.15 1ugk s ILE 107 CO -0.08 -0.26 1.91 0.40 0.00 0.00 0.00 174.94 176.92 1ugk h ILE 108 N 7.24 1.20 0.00 2.92 2.04 0.65 -3.47 117.51 128.08 1ugk h ILE 108 Ca -0.30 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1ugk h ILE 108 Cb 1.22 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1ugk h ILE 108 CO 1.10 0.27 0.00 0.61 0.00 0.00 0.00 178.15 180.12 1ugk n GLY 109 N -0.76 0.50 3.19 5.37 0.00 -1.02 -4.80 105.19 107.68 1ugk n GLY 109 Ca -0.02 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 1ugk n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ugk s GLU 110 N -2.00 2.14 0.04 1.61 2.02 -1.25 -1.58 118.70 119.68 1ugk s GLU 110 Ca 0.00 -0.74 0.07 0.00 0.02 0.00 0.00 54.97 54.31 1ugk s GLU 110 Cb 0.00 -1.83 -0.02 0.00 0.10 0.00 0.00 34.13 32.37 1ugk s GLU 110 CO 0.00 0.30 -0.19 0.08 0.02 0.00 0.00 175.26 175.48 1ugk s VAL 111 N -0.05 1.51 0.00 2.63 1.01 0.81 -4.55 120.40 121.76 1ugk s VAL 111 Ca -0.04 -1.11 -0.00 0.00 0.00 0.00 0.00 61.98 60.83 1ugk s VAL 111 Cb -0.13 -1.32 -0.00 0.00 0.00 0.00 0.00 36.38 34.94 1ugk s VAL 111 CO 0.03 0.18 0.00 -0.22 0.00 0.00 0.00 175.10 175.09 1ugk s LEU 112 N -1.09 2.01 -0.33 3.92 2.96 -1.26 -0.33 118.68 124.56 1ugk s LEU 112 Ca 0.06 -0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.92 1ugk s LEU 112 Cb -0.08 0.02 0.12 0.00 0.50 0.00 0.00 46.19 46.75 1ugk s LEU 112 CO 0.01 -0.02 0.17 -0.51 -1.32 0.00 0.00 176.35 174.68 1ugk s ILE 113 N -0.11 0.11 -0.16 6.68 1.10 -0.57 -4.99 121.20 123.26 1ugk s ILE 113 Ca -0.01 -1.32 -0.29 0.00 -0.51 0.00 0.00 60.65 58.51 1ugk s ILE 113 Cb -0.01 -1.10 -0.02 0.00 0.15 0.00 0.00 42.46 41.48 1ugk s ILE 113 CO -0.00 -0.87 1.28 -2.16 -2.11 0.00 0.00 174.94 171.08 1ugk s PRO 114 N 1.51 4.23 0.00 3.50 0.04 -1.26 -1.46 135.00 141.56 1ugk s PRO 114 Ca 0.14 1.68 0.24 0.00 0.04 0.00 0.00 61.00 63.10 1ugk s PRO 114 Cb -0.20 -3.77 1.37 0.00 0.04 0.00 0.00 34.50 31.95 1ugk s PRO 114 CO -0.16 -0.71 1.78 1.28 0.04 0.00 0.00 177.00 179.24 1ugk n LEU 115 N 6.59 0.00 -4.56 -3.56 4.77 -0.93 -4.60 117.00 114.71 1ugk n LEU 115 Ca 0.14 0.05 -0.21 0.00 -0.03 0.00 0.00 56.01 55.96 1ugk n LEU 115 Cb 0.45 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 1ugk n LEU 115 CO 0.56 -0.01 1.34 -0.55 -1.33 0.00 0.00 177.39 177.40 1ugk s SER 116 N -2.11 4.46 0.00 -1.43 0.15 -1.18 -1.00 113.70 112.59 1ugk s SER 116 Ca 0.33 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.85 1ugk s SER 116 Cb 0.16 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1ugk s SER 116 CO 0.29 -3.32 0.00 0.61 1.20 0.00 0.00 173.24 172.02 1ugk n GLY 117 N 6.71 0.66 3.69 9.45 0.00 -1.26 -5.05 105.19 119.39 1ugk n GLY 117 Ca 0.42 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 46.02 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 3.92 -3.99 -0.61 2.08 -0.17 -4.98 119.36 115.61 1ugk n ILE 118 Ca 0.00 -0.50 -0.31 0.00 0.56 0.00 0.00 62.75 62.50 1ugk n ILE 118 Cb 0.00 -1.44 -0.15 0.00 -0.75 0.00 0.00 39.64 37.30 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 -2.88 1.54 0.08 0.38 2.02 -1.26 -4.92 118.70 113.67 1ugk s GLU 119 Ca 0.74 -1.58 0.23 0.00 0.02 0.00 0.00 54.97 54.38 1ugk s GLU 119 Cb -0.42 -2.93 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 1ugk s GLU 119 CO 0.47 -0.84 0.93 1.28 0.02 0.00 0.00 175.26 177.12 1ugk n LEU 120 N 4.40 0.57 -0.35 1.80 4.77 -1.26 -4.37 117.00 122.55 1ugk n LEU 120 Ca -0.02 0.10 -0.06 0.00 -0.03 0.00 0.00 56.01 55.99 1ugk n LEU 120 Cb 0.42 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 1ugk n LEU 120 CO 0.20 -0.04 0.45 -1.54 -1.33 0.00 0.00 177.39 175.13 1ugk n SER 121 N -2.25 -0.79 -0.30 -1.43 3.41 -1.26 0.16 113.62 111.16 1ugk n SER 121 Ca 0.00 1.53 0.10 0.00 -0.26 0.00 0.00 58.87 60.25 1ugk n SER 121 Cb 0.50 -0.25 0.23 0.00 -0.26 0.00 0.00 64.21 64.42 1ugk n SER 121 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1ugk h GLU 122 N 0.00 0.07 0.00 4.33 5.08 -2.02 -3.47 114.58 118.57 1ugk h GLU 122 Ca 0.20 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1ugk h GLU 122 Cb 0.41 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1ugk h GLU 122 CO -0.83 0.05 0.00 0.41 -1.00 0.00 0.00 179.01 177.64 1ugk n GLY 123 N -1.45 -0.47 3.83 -3.84 0.00 0.44 -5.12 105.19 98.56 1ugk n GLY 123 Ca 0.18 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.00 4.06 -0.00 1.61 2.20 -1.26 -4.56 119.74 119.79 1ugk s LYS 124 Ca 0.00 0.58 0.02 0.00 -0.36 0.00 0.00 55.97 56.21 1ugk s LYS 124 Cb 0.00 -3.17 -0.01 0.00 -1.51 0.00 0.00 37.83 33.14 1ugk s LYS 124 CO 0.00 0.63 -0.07 0.00 -0.36 0.00 0.00 175.35 175.54 1ugk s MET 125 N -1.28 0.59 0.11 4.03 0.23 -1.19 -5.04 119.30 116.76 1ugk s MET 125 Ca 0.29 -0.29 -0.21 0.00 -1.03 0.00 0.00 55.69 54.45 1ugk s MET 125 Cb -0.18 -0.57 -0.07 0.00 -1.53 0.00 0.00 34.83 32.48 1ugk s MET 125 CO 0.17 0.15 0.64 -1.17 -2.03 0.00 0.00 175.02 172.78 1ugk s LEU 126 N -0.24 4.54 0.04 0.18 1.98 -1.26 -2.68 118.68 121.24 1ugk s LEU 126 Ca 0.02 1.38 -0.05 0.00 -2.89 0.00 0.00 54.13 52.59 1ugk s LEU 126 Cb -0.03 -3.05 -0.01 0.00 0.66 0.00 0.00 46.19 43.75 1ugk s LEU 126 CO -0.00 0.24 0.09 -0.04 -1.89 0.00 0.00 176.35 174.75 1ugk s MET 127 N -1.18 0.61 0.10 1.98 -1.94 0.12 -4.98 119.30 114.00 1ugk s MET 127 Ca 0.32 -0.81 0.02 0.00 -1.71 0.00 0.00 55.69 53.50 1ugk s MET 127 Cb -0.20 0.24 -0.04 0.00 2.01 0.00 0.00 34.83 36.83 1ugk s MET 127 CO 0.21 -0.16 -0.07 0.54 -0.01 0.00 0.00 175.02 175.54 1ugk s ASN 128 N -2.26 1.12 -0.04 3.03 4.22 -1.26 -1.21 114.94 118.53 1ugk s ASN 128 Ca -0.03 -0.99 -0.07 0.00 -2.14 0.00 0.00 52.86 49.63 1ugk s ASN 128 Cb 0.00 0.09 0.01 0.00 1.28 0.00 0.00 41.25 42.64 1ugk s ASN 128 CO -0.06 -0.46 0.17 -0.13 -2.04 0.00 0.00 177.10 174.58 1ugk s ARG 129 N -3.76 0.30 0.12 3.55 1.81 -0.44 -4.99 118.95 115.54 1ugk s ARG 129 Ca 0.11 0.03 -0.20 0.00 -1.72 0.00 0.00 55.73 53.94 1ugk s ARG 129 Cb 0.05 0.14 -0.07 0.00 -0.45 0.00 0.00 34.95 34.61 1ugk s ARG 129 CO -0.05 -0.06 0.63 -1.83 -0.68 0.00 0.00 175.30 173.32 1ugk s GLU 130 N -0.41 4.27 -0.27 3.54 -1.05 -1.26 -1.42 118.70 122.10 1ugk s GLU 130 Ca -0.05 0.82 -0.12 0.00 -0.15 0.00 0.00 54.97 55.47 1ugk s GLU 130 Cb -0.03 -3.17 -0.05 0.00 -0.44 0.00 0.00 34.13 30.44 1ugk s GLU 130 CO 0.01 0.58 0.22 0.42 0.95 0.00 0.00 175.26 177.44 1ugk s ILE 131 N -1.20 5.29 0.09 1.83 1.01 -1.07 -4.86 121.20 122.30 1ugk s ILE 131 Ca 0.33 0.26 0.01 0.00 0.00 0.00 0.00 60.65 61.26 1ugk s ILE 131 Cb -0.20 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 1ugk s ILE 131 CO 0.21 0.26 0.05 2.30 0.00 0.00 0.00 174.94 177.75 1ugk n ILE 132 N 4.86 0.00 -2.79 2.92 -6.64 -1.26 -4.59 119.36 111.85 1ugk n ILE 132 Ca -0.13 -0.59 -0.44 0.00 -1.77 0.00 0.00 62.75 59.82 1ugk n ILE 132 Cb 0.52 0.24 0.00 0.00 -1.44 0.00 0.00 39.64 38.96 1ugk n ILE 132 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 1ugk n SER 133 N -2.21 5.11 -1.52 7.28 2.88 -1.26 -3.74 113.62 120.15 1ugk n SER 133 Ca -0.00 -2.96 0.12 0.00 -1.33 0.00 0.00 58.87 54.70 1ugk n SER 133 Cb 0.15 -1.63 -0.07 0.00 -0.75 0.00 0.00 64.21 61.91 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 4.48 -3.61 2.75 0.46 0.00 -1.26 -4.24 105.19 103.78 1ugk n GLY 134 Ca 0.41 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.84 2.39 -3.93 1.61 -0.04 -1.26 -4.79 135.00 125.14 1ugk n PRO 135 Ca -0.07 -2.04 -0.31 0.00 -0.04 0.00 0.00 63.50 61.05 1ugk n PRO 135 Cb 0.63 -2.91 -0.15 0.00 -0.04 0.00 0.00 33.50 31.04 1ugk n PRO 135 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ugk s SER 136 N 3.66 4.21 -0.09 3.54 0.01 -1.26 -4.93 113.70 118.84 1ugk s SER 136 Ca 0.53 -1.60 -0.01 0.00 1.31 0.00 0.00 55.95 56.18 1ugk s SER 136 Cb 0.14 -1.27 0.00 0.00 0.21 0.00 0.00 66.02 65.10 1ugk s SER 136 CO -0.01 -0.32 0.02 -1.20 0.41 0.00 0.00 173.24 172.15 1ugk n SER 137 N 4.57 -6.61 0.00 2.44 7.64 -1.26 -5.02 113.62 115.37 1ugk n SER 137 Ca -0.05 0.82 0.00 0.00 1.01 0.00 0.00 58.87 60.65 1ugk n SER 137 Cb 0.43 -2.75 0.00 0.00 -1.01 0.00 0.00 64.21 60.88 1ugk n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64