#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 -0.65 0.59 1.61 1.04 -1.26 -5.14 113.70 109.89 1ugk s SER 2 Ca 0.00 1.03 0.00 0.00 0.48 0.00 0.00 55.95 57.46 1ugk s SER 2 Cb 0.00 1.30 0.00 0.00 0.10 0.00 0.00 66.02 67.42 1ugk s SER 2 CO 0.00 -0.16 0.00 -0.24 0.98 0.00 0.00 173.24 173.82 1ugk n SER 3 N 3.97 -8.48 -3.21 7.02 2.88 -1.26 -5.00 113.62 109.54 1ugk n SER 3 Ca -0.18 1.84 -0.00 0.00 -1.33 0.00 0.00 58.87 59.20 1ugk n SER 3 Cb 0.58 -5.07 -0.02 0.00 -0.75 0.00 0.00 64.21 58.95 1ugk n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ugk s GLY 4 N -5.27 -1.13 -0.09 0.46 0.00 -1.26 -5.15 107.32 94.88 1ugk s GLY 4 Ca 0.00 0.35 -0.03 0.00 0.00 0.00 0.00 44.72 45.05 1ugk s GLY 4 CO 0.00 3.57 0.03 -0.56 0.00 0.00 0.00 173.10 176.13 1ugk s SER 5 N 2.12 5.45 0.32 1.64 0.01 -1.26 -5.09 113.70 116.89 1ugk s SER 5 Ca 0.14 0.20 -0.28 0.00 1.31 0.00 0.00 55.95 57.33 1ugk s SER 5 Cb -0.07 -1.59 -0.09 0.00 0.21 0.00 0.00 66.02 64.48 1ugk s SER 5 CO -0.13 0.38 1.07 -0.44 0.41 0.00 0.00 173.24 174.53 1ugk s SER 6 N -0.90 7.13 0.11 2.44 0.01 -1.26 -4.81 113.70 116.42 1ugk s SER 6 Ca 0.13 2.16 0.00 0.00 1.31 0.00 0.00 55.95 59.55 1ugk s SER 6 Cb -0.11 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.50 1ugk s SER 6 CO 0.03 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.05 1ugk n GLY 7 N 0.92 -3.19 0.12 3.44 0.00 -1.26 -4.94 105.19 100.28 1ugk n GLY 7 Ca 0.01 -1.14 -0.16 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.30 2.69 0.00 0.99 4.77 -1.26 -4.83 117.00 118.06 1ugk n LEU 8 Ca 0.00 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1ugk n LEU 8 Cb 0.04 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 1ugk n LEU 8 CO 0.00 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1ugk n GLY 9 N 2.27 3.31 3.52 -0.72 0.00 -1.13 -4.16 105.19 108.27 1ugk n GLY 9 Ca -0.43 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.48 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 -2.07 3.21 -0.08 2.61 2.01 -0.63 0.82 115.64 121.50 1ugk s THR 10 Ca 0.00 -0.89 -0.02 0.00 0.31 0.00 0.00 61.69 61.09 1ugk s THR 10 Cb 0.00 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 1ugk s THR 10 CO 0.00 0.43 0.03 -0.22 -0.69 0.00 0.00 174.62 174.17 1ugk s LEU 11 N -1.23 3.71 -0.04 4.42 2.96 0.46 -2.37 118.68 126.60 1ugk s LEU 11 Ca 0.15 0.18 0.07 0.00 -0.22 0.00 0.00 54.13 54.31 1ugk s LEU 11 Cb -0.11 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 1ugk s LEU 11 CO 0.05 0.37 -0.25 -0.36 -1.32 0.00 0.00 176.35 174.84 1ugk s PHE 12 N -0.94 2.31 0.12 5.38 0.08 -0.90 0.14 117.98 124.17 1ugk s PHE 12 Ca 0.15 -0.55 -0.26 0.00 0.12 0.00 0.00 56.93 56.39 1ugk s PHE 12 Cb -0.11 -1.50 0.07 0.00 -0.57 0.00 0.00 43.02 40.91 1ugk s PHE 12 CO 0.04 -0.11 0.98 -0.59 -0.10 0.00 0.00 175.22 175.44 1ugk s PHE 13 N -0.40 -0.15 -0.10 0.36 -0.71 0.32 -0.89 117.98 116.41 1ugk s PHE 13 Ca 0.04 -0.12 -0.04 0.00 -1.04 0.00 0.00 56.93 55.78 1ugk s PHE 13 Cb -0.11 0.62 0.05 0.00 -1.21 0.00 0.00 43.02 42.37 1ugk s PHE 13 CO 0.01 -0.74 0.18 -1.54 -1.34 0.00 0.00 175.22 171.78 1ugk s SER 14 N -2.89 0.79 0.42 1.98 1.04 -0.77 0.12 113.70 114.39 1ugk s SER 14 Ca 0.12 0.30 -0.23 0.00 0.48 0.00 0.00 55.95 56.62 1ugk s SER 14 Cb -0.01 0.33 -0.10 0.00 0.10 0.00 0.00 66.02 66.34 1ugk s SER 14 CO 0.00 -0.25 1.00 -0.76 0.98 0.00 0.00 173.24 174.21 1ugk s LEU 15 N 2.31 4.05 -0.28 2.42 2.01 -1.16 -2.64 118.68 125.37 1ugk s LEU 15 Ca 0.03 1.87 -0.11 0.00 0.01 0.00 0.00 54.13 55.94 1ugk s LEU 15 Cb -0.12 -4.35 0.12 0.00 0.01 0.00 0.00 46.19 41.84 1ugk s LEU 15 CO -0.07 -0.45 0.63 -0.70 1.01 0.00 0.00 176.35 176.78 1ugk s GLU 16 N -2.80 0.57 -0.27 1.70 2.12 0.10 -3.14 118.70 116.99 1ugk s GLU 16 Ca 0.60 1.37 -0.10 0.00 0.36 0.00 0.00 54.97 57.20 1ugk s GLU 16 Cb -0.16 0.69 -0.05 0.00 0.26 0.00 0.00 34.13 34.87 1ugk s GLU 16 CO 0.21 -0.20 0.16 -0.47 -0.54 0.00 0.00 175.26 174.43 1ugk s TYR 17 N 2.64 3.22 -0.98 5.30 5.04 -1.26 0.20 117.35 131.50 1ugk s TYR 17 Ca -0.06 0.06 -0.24 0.00 -2.44 0.00 0.00 57.07 54.39 1ugk s TYR 17 Cb -0.11 -2.33 -0.07 0.00 0.35 0.00 0.00 41.96 39.80 1ugk s TYR 17 CO -0.18 -0.14 1.99 1.21 -1.34 0.00 0.00 175.55 177.08 1ugk s ASN 18 N 1.57 4.94 0.13 4.32 2.47 0.49 -4.77 114.94 124.10 1ugk s ASN 18 Ca 0.07 -0.93 -0.19 0.00 0.42 0.00 0.00 52.86 52.23 1ugk s ASN 18 Cb -0.15 -2.57 -0.01 0.00 -1.45 0.00 0.00 41.25 37.07 1ugk s ASN 18 CO 0.09 -3.02 1.72 -0.26 -3.72 0.00 0.00 177.10 171.91 1ugk h PHE 19 N 10.94 0.01 -0.70 0.43 -1.00 -1.93 2.08 116.94 126.77 1ugk h PHE 19 Ca 0.12 0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.99 1ugk h PHE 19 Cb 0.98 0.03 -0.10 0.00 3.61 0.00 0.00 35.95 40.47 1ugk h PHE 19 CO 1.20 -0.02 -0.55 1.05 -1.61 0.00 0.00 178.31 178.39 1ugk h GLU 20 N 0.09 -0.16 -0.69 1.51 4.11 -1.96 0.30 114.58 117.78 1ugk h GLU 20 Ca 0.11 0.01 -0.13 0.00 0.07 0.00 0.00 59.36 59.42 1ugk h GLU 20 Cb 0.13 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.34 1ugk h GLU 20 CO -0.17 -0.11 0.17 0.54 0.07 0.00 0.00 179.01 179.51 1ugk n ARG 21 N -5.17 4.21 -3.65 1.06 1.74 -1.09 -4.95 116.66 108.81 1ugk n ARG 21 Ca -0.00 -3.09 -0.24 0.00 -0.77 0.00 0.00 57.85 53.75 1ugk n ARG 21 Cb 0.28 -2.24 0.00 0.00 -1.02 0.00 0.00 32.46 29.48 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 0.17 -1.03 -4.46 5.56 5.02 0.58 -4.69 118.16 119.32 1ugk n LYS 22 Ca 0.36 0.43 -0.22 0.00 -2.02 0.00 0.00 58.31 56.86 1ugk n LYS 22 Cb 1.32 -1.74 -0.10 0.00 -0.02 0.00 0.00 35.03 34.48 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 -3.03 2.43 -0.20 7.82 0.00 0.50 -3.86 121.76 125.43 1ugk s ALA 23 Ca 0.09 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.18 1ugk s ALA 23 Cb -0.05 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.79 1ugk s ALA 23 CO 0.73 -0.32 -0.16 0.12 0.00 0.00 0.00 175.76 176.12 1ugk s PHE 24 N -3.31 2.86 -0.15 0.00 5.36 -0.66 0.19 117.98 122.26 1ugk s PHE 24 Ca 0.34 -1.59 -0.03 0.00 -0.96 0.00 0.00 56.93 54.69 1ugk s PHE 24 Cb 0.08 -1.96 -0.02 0.00 -0.34 0.00 0.00 43.02 40.77 1ugk s PHE 24 CO 0.15 -0.77 -0.06 0.08 -1.46 0.00 0.00 175.22 173.16 1ugk s VAL 25 N 1.31 3.71 -0.49 3.12 1.01 0.53 -1.63 120.40 127.95 1ugk s VAL 25 Ca 0.04 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.63 1ugk s VAL 25 Cb -0.14 -2.61 0.13 0.00 0.00 0.00 0.00 36.38 33.75 1ugk s VAL 25 CO -0.10 0.50 0.23 -0.69 0.00 0.00 0.00 175.10 175.03 1ugk s VAL 26 N 0.38 2.56 -0.15 2.92 1.01 -0.45 -0.72 120.40 125.95 1ugk s VAL 26 Ca -0.05 -3.18 -0.29 0.00 0.00 0.00 0.00 61.98 58.45 1ugk s VAL 26 Cb -0.15 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 1ugk s VAL 26 CO 0.03 -0.77 1.12 0.21 0.00 0.00 0.00 175.10 175.69 1ugk s ASN 27 N -0.11 7.09 -0.48 3.32 3.04 -1.08 -3.11 114.94 123.61 1ugk s ASN 27 Ca 0.16 1.58 -0.12 0.00 0.04 0.00 0.00 52.86 54.52 1ugk s ASN 27 Cb -0.25 -2.55 0.11 0.00 -1.54 0.00 0.00 41.25 37.02 1ugk s ASN 27 CO -0.01 -0.62 0.37 -0.63 -3.04 0.00 0.00 177.10 173.17 1ugk s ILE 28 N 2.79 4.60 0.00 -5.21 1.01 0.11 -1.85 121.20 122.65 1ugk s ILE 28 Ca 0.50 -1.53 0.00 0.00 0.00 0.00 0.00 60.65 59.62 1ugk s ILE 28 Cb -0.19 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1ugk s ILE 28 CO 0.14 -0.71 0.00 1.17 0.00 0.00 0.00 174.94 175.54 1ugk n LYS 29 N 5.03 2.92 -4.20 2.79 3.00 -0.06 -0.93 118.16 126.71 1ugk n LYS 29 Ca -0.10 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 57.92 1ugk n LYS 29 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.41 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 2.23 -0.06 1.64 -1.05 -1.24 -1.55 118.70 118.68 1ugk s GLU 30 Ca 0.00 -2.12 0.04 0.00 -0.15 0.00 0.00 54.97 52.74 1ugk s GLU 30 Cb 0.00 -1.90 -0.00 0.00 -0.44 0.00 0.00 34.13 31.79 1ugk s GLU 30 CO 0.00 -0.47 -0.18 0.00 0.95 0.00 0.00 175.26 175.56 1ugk s ALA 31 N -2.78 1.63 -0.05 -0.84 0.00 -1.24 -2.12 121.76 116.36 1ugk s ALA 31 Ca 0.26 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.56 1ugk s ALA 31 Cb -0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 1ugk s ALA 31 CO 0.15 0.26 -0.22 1.03 0.00 0.00 0.00 175.76 176.98 1ugk s ARG 32 N 0.18 2.48 0.00 0.00 1.81 -1.00 -3.81 118.95 118.61 1ugk s ARG 32 Ca -0.08 -0.85 0.00 0.00 -1.72 0.00 0.00 55.73 53.08 1ugk s ARG 32 Cb -0.13 -2.21 0.00 0.00 -0.45 0.00 0.00 34.95 32.16 1ugk s ARG 32 CO 0.04 0.47 0.00 0.41 -0.68 0.00 0.00 175.30 175.53 1ugk n GLY 33 N 2.72 -0.06 3.36 -3.53 0.00 -1.26 -1.61 105.19 104.80 1ugk n GLY 33 Ca -0.17 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.49 2.81 -0.03 0.99 1.43 -0.92 -2.82 118.68 118.65 1ugk s LEU 34 Ca 0.00 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 52.47 1ugk s LEU 34 Cb 0.00 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 1ugk s LEU 34 CO 0.00 0.11 1.21 -2.16 0.23 0.00 0.00 176.35 175.73 1ugk s PRO 35 N 0.71 4.36 0.38 1.29 0.04 -1.26 -4.73 135.00 135.81 1ugk s PRO 35 Ca -0.05 1.70 -0.27 0.00 0.04 0.00 0.00 61.00 62.43 1ugk s PRO 35 Cb -0.15 -3.52 -0.09 0.00 0.04 0.00 0.00 34.50 30.77 1ugk s PRO 35 CO 0.02 -0.42 1.35 0.00 0.04 0.00 0.00 177.00 177.99 1ugk s ALA 36 N 2.02 3.38 0.08 8.56 0.00 -1.26 -4.93 121.76 129.60 1ugk s ALA 36 Ca 0.57 1.32 0.03 0.00 0.00 0.00 0.00 51.96 53.88 1ugk s ALA 36 Cb -0.26 -3.52 -0.24 0.00 0.00 0.00 0.00 23.12 19.11 1ugk s ALA 36 CO 0.24 -0.85 1.13 0.52 0.00 0.00 0.00 175.76 176.80 1ugk h MET 37 N 2.89 0.10 -5.90 0.00 2.86 -1.95 -3.47 114.93 109.47 1ugk h MET 37 Ca -0.50 -0.17 -0.61 0.00 -2.06 0.00 0.00 59.70 56.36 1ugk h MET 37 Cb 1.24 0.06 -0.14 0.00 0.06 0.00 0.00 31.60 32.83 1ugk h MET 37 CO 0.63 1.02 -0.68 0.34 1.06 0.00 0.00 176.91 179.29 1ugk s ASP 38 N -6.79 3.65 -0.16 1.22 2.15 -1.26 -5.07 116.67 110.41 1ugk s ASP 38 Ca -0.02 -1.20 -0.13 0.00 0.43 0.00 0.00 52.55 51.63 1ugk s ASP 38 Cb 0.09 -0.33 -0.06 0.00 -0.30 0.00 0.00 42.92 42.31 1ugk s ASP 38 CO 0.84 -0.21 -0.29 -0.62 -0.17 0.00 0.00 175.17 174.72 1ugk n GLU 39 N -0.78 0.45 -0.39 4.34 -0.58 -1.26 -3.13 120.64 119.28 1ugk n GLU 39 Ca -0.05 0.18 -0.04 0.00 -0.42 0.00 0.00 57.16 56.83 1ugk n GLU 39 Cb 0.63 -1.27 -0.00 0.00 -0.57 0.00 0.00 31.44 30.24 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 -4.19 -0.29 0.08 3.49 6.02 -1.26 -0.91 117.38 120.32 1ugk n GLN 40 Ca -0.23 1.53 -0.22 0.00 -0.01 0.00 0.00 57.00 58.08 1ugk n GLN 40 Cb 0.55 -2.26 -0.14 0.00 1.02 0.00 0.00 30.24 29.41 1ugk n GLN 40 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1ugk h SER 41 N 0.00 0.68 -4.26 1.08 0.02 -2.02 -3.48 113.55 105.56 1ugk h SER 41 Ca 0.29 -0.89 -0.22 0.00 -0.84 0.00 0.00 61.79 60.13 1ugk h SER 41 Cb 0.54 -0.22 0.10 0.00 0.14 0.00 0.00 62.40 62.97 1ugk h SER 41 CO -0.98 1.51 -0.47 0.80 -1.14 0.00 0.00 176.83 176.55 1ugk n MET 42 N -3.96 -4.51 -3.71 3.45 1.56 -0.08 -5.01 117.12 104.85 1ugk n MET 42 Ca -0.14 0.54 -0.02 0.00 -0.27 0.00 0.00 57.70 57.81 1ugk n MET 42 Cb 0.91 -4.66 -0.01 0.00 2.15 0.00 0.00 33.22 31.61 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 -3.22 0.00 0.23 1.12 -1.32 -1.26 -4.87 115.64 106.32 1ugk s THR 43 Ca 0.12 -0.53 -0.21 0.00 -1.21 0.00 0.00 61.69 59.85 1ugk s THR 43 Cb -0.05 -1.98 0.07 0.00 -1.51 0.00 0.00 72.50 69.03 1ugk s THR 43 CO 0.47 0.00 0.95 -0.94 -2.21 0.00 0.00 174.62 172.89 1ugk s SER 44 N -2.94 -0.03 -0.74 8.08 1.04 -1.26 -4.25 113.70 113.60 1ugk s SER 44 Ca 0.13 -0.76 0.04 0.00 0.48 0.00 0.00 55.95 55.84 1ugk s SER 44 Cb 0.00 0.60 0.23 0.00 0.10 0.00 0.00 66.02 66.95 1ugk s SER 44 CO 0.00 -1.17 0.77 0.47 0.98 0.00 0.00 173.24 174.30 1ugk n ASP 45 N -1.14 3.94 -4.74 7.02 9.92 -1.23 -1.09 116.55 129.23 1ugk n ASP 45 Ca -0.05 -3.35 -0.41 0.00 -0.53 0.00 0.00 54.79 50.45 1ugk n ASP 45 Cb 0.60 -0.80 -0.04 0.00 -0.64 0.00 0.00 41.12 40.23 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 -2.15 4.60 -0.00 -0.24 0.04 -1.26 -1.27 135.00 134.72 1ugk s PRO 46 Ca 0.34 1.75 0.02 0.00 0.04 0.00 0.00 61.00 63.15 1ugk s PRO 46 Cb 0.07 -3.25 -0.00 0.00 0.04 0.00 0.00 34.50 31.35 1ugk s PRO 46 CO -0.05 0.10 -0.06 1.52 0.04 0.00 0.00 177.00 178.56 1ugk s TYR 47 N -0.47 0.50 -0.10 0.56 1.13 -1.18 -4.01 117.35 113.78 1ugk s TYR 47 Ca 0.48 -0.11 -0.18 0.00 -1.41 0.00 0.00 57.07 55.86 1ugk s TYR 47 Cb -0.30 -0.32 -0.04 0.00 -1.10 0.00 0.00 41.96 40.20 1ugk s TYR 47 CO 0.36 -0.01 0.48 0.42 -2.51 0.00 0.00 175.55 174.29 1ugk s ILE 48 N -0.17 5.16 -0.27 -3.49 1.01 -1.26 -2.04 121.20 120.14 1ugk s ILE 48 Ca 0.02 0.96 -0.09 0.00 0.00 0.00 0.00 60.65 61.53 1ugk s ILE 48 Cb -0.02 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1ugk s ILE 48 CO -0.00 0.36 0.13 -0.54 0.00 0.00 0.00 174.94 174.88 1ugk s LYS 49 N 0.41 3.75 0.10 2.79 1.02 -0.32 -1.38 119.74 126.12 1ugk s LYS 49 Ca 0.26 -0.43 -0.04 0.00 0.02 0.00 0.00 55.97 55.78 1ugk s LYS 49 Cb -0.15 -3.48 -0.05 0.00 -0.52 0.00 0.00 37.83 33.62 1ugk s LYS 49 CO 0.11 -0.20 0.33 1.41 -0.92 0.00 0.00 175.35 176.07 1ugk s MET 50 N 1.68 3.58 -0.23 1.68 1.75 0.19 -2.66 119.30 125.29 1ugk s MET 50 Ca 0.07 -0.15 -0.12 0.00 -1.25 0.00 0.00 55.69 54.23 1ugk s MET 50 Cb -0.16 -2.93 0.08 0.00 2.84 0.00 0.00 34.83 34.66 1ugk s MET 50 CO 0.07 0.53 0.56 0.99 -0.65 0.00 0.00 175.02 176.52 1ugk s THR 51 N -1.57 -0.11 -0.97 10.11 2.01 -1.21 -2.01 115.64 121.89 1ugk s THR 51 Ca 0.38 0.05 -0.23 0.00 0.31 0.00 0.00 61.69 62.19 1ugk s THR 51 Cb -0.13 -0.83 0.05 0.00 0.01 0.00 0.00 72.50 71.61 1ugk s THR 51 CO 0.24 0.02 1.40 -0.63 -0.69 0.00 0.00 174.62 174.96 1ugk s ILE 52 N 1.69 3.95 0.45 1.82 1.01 -1.14 -1.55 121.20 127.42 1ugk s ILE 52 Ca -0.09 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 1ugk s ILE 52 Cb -0.07 -5.02 -0.04 0.00 0.01 0.00 0.00 42.46 37.34 1ugk s ILE 52 CO -0.17 -1.89 0.77 -0.76 0.00 0.00 0.00 174.94 172.89 1ugk s LEU 53 N 4.92 3.70 0.49 2.97 1.43 0.47 0.20 118.68 132.87 1ugk s LEU 53 Ca 0.43 0.96 0.28 0.00 -1.03 0.00 0.00 54.13 54.78 1ugk s LEU 53 Cb -0.02 -3.89 0.87 0.00 0.03 0.00 0.00 46.19 43.18 1ugk s LEU 53 CO -0.06 -0.51 1.80 1.55 0.23 0.00 0.00 176.35 179.36 1ugk h PRO 54 N 0.56 0.00 -0.15 1.29 0.13 -1.81 1.58 132.00 133.60 1ugk h PRO 54 Ca -0.47 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1ugk h PRO 54 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1ugk h PRO 54 CO 0.62 0.00 -0.09 0.39 -0.23 0.00 0.00 178.00 178.70 1ugk n GLU 55 N -3.07 -0.06 -0.95 0.86 1.02 -0.98 -4.70 120.64 112.77 1ugk n GLU 55 Ca 0.02 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1ugk n GLU 55 Cb 0.41 -0.66 0.00 0.00 -0.02 0.00 0.00 31.44 31.17 1ugk n GLU 55 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1ugk n LYS 56 N -3.19 -0.02 0.00 3.49 4.81 0.55 -4.92 118.16 118.87 1ugk n LYS 56 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1ugk n LYS 56 Cb 0.04 -2.77 0.00 0.00 0.02 0.00 0.00 35.03 32.32 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 -2.05 0.00 -1.53 1.64 4.76 -1.26 -4.43 118.16 115.29 1ugk n LYS 57 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 1ugk n LYS 57 Cb 0.00 -0.54 -0.13 0.00 -1.84 0.00 0.00 35.03 32.52 1ugk n LYS 57 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1ugk n HIS 58 N -0.25 0.74 -3.68 2.13 8.25 -1.26 -4.85 115.22 116.29 1ugk n HIS 58 Ca 0.00 0.05 -0.38 0.00 -0.26 0.00 0.00 57.72 57.13 1ugk n HIS 58 Cb 0.00 -1.88 -0.12 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 8.20 3.57 0.06 -0.41 1.02 -1.26 -2.90 119.74 128.01 1ugk s LYS 59 Ca 1.12 -0.55 0.05 0.00 0.02 0.00 0.00 55.97 56.60 1ugk s LYS 59 Cb -0.50 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 33.30 1ugk s LYS 59 CO 0.31 -0.28 -0.14 0.14 -0.92 0.00 0.00 175.35 174.46 1ugk s VAL 60 N 1.64 1.10 0.08 3.17 -7.23 -0.85 -5.03 120.40 113.28 1ugk s VAL 60 Ca 0.06 -1.18 0.06 0.00 -1.81 0.00 0.00 61.98 59.11 1ugk s VAL 60 Cb -0.16 -1.04 -0.03 0.00 0.56 0.00 0.00 36.38 35.71 1ugk s VAL 60 CO 0.06 -0.14 -0.17 -1.59 -0.31 0.00 0.00 175.10 172.96 1ugk s LYS 61 N -1.49 0.94 -0.04 4.82 -2.85 -1.26 0.57 119.74 120.42 1ugk s LYS 61 Ca -0.01 -1.03 -0.20 0.00 -1.00 0.00 0.00 55.97 53.72 1ugk s LYS 61 Cb -0.09 -1.04 -0.05 0.00 -2.06 0.00 0.00 37.83 34.59 1ugk s LYS 61 CO 0.02 0.24 0.59 0.95 0.10 0.00 0.00 175.35 177.24 1ugk s THR 62 N -1.23 4.99 -0.19 3.79 -4.23 -0.48 -4.95 115.64 113.34 1ugk s THR 62 Ca 0.01 1.22 -0.42 0.00 -1.18 0.00 0.00 61.69 61.33 1ugk s THR 62 Cb -0.10 -3.93 -0.18 0.00 1.34 0.00 0.00 72.50 69.63 1ugk s THR 62 CO 0.03 0.37 1.42 -2.11 -0.54 0.00 0.00 174.62 173.79 1ugk n ARG 63 N 3.10 0.45 -2.50 3.99 -4.01 -1.26 -4.37 116.66 112.07 1ugk n ARG 63 Ca -0.06 0.16 -0.42 0.00 -1.04 0.00 0.00 57.85 56.50 1ugk n ARG 63 Cb 0.51 -1.73 -0.03 0.00 -3.04 0.00 0.00 32.46 28.17 1ugk n ARG 63 CO 0.00 0.00 0.00 0.14 -3.04 0.00 0.00 177.63 174.73 1ugk s VAL 64 N 1.72 4.26 1.07 8.89 -7.23 -1.26 -4.83 120.40 123.03 1ugk s VAL 64 Ca 0.95 1.62 -0.16 0.00 -1.81 0.00 0.00 61.98 62.59 1ugk s VAL 64 Cb -1.24 -4.04 0.23 0.00 0.56 0.00 0.00 36.38 31.89 1ugk s VAL 64 CO 0.64 0.12 1.13 -0.76 -0.31 0.00 0.00 175.10 175.92 1ugk s LEU 65 N 1.12 1.38 -0.38 1.32 2.01 -1.26 -5.00 118.68 117.87 1ugk s LEU 65 Ca 0.57 0.80 -0.01 0.00 0.01 0.00 0.00 54.13 55.50 1ugk s LEU 65 Cb -0.27 -2.79 0.10 0.00 0.01 0.00 0.00 46.19 43.24 1ugk s LEU 65 CO 0.28 -3.44 0.14 -0.13 1.01 0.00 0.00 176.35 174.22 1ugk s ARG 66 N -5.31 1.87 -0.18 1.70 1.81 -1.26 -4.32 118.95 113.26 1ugk s ARG 66 Ca 0.68 -1.79 -0.10 0.00 -1.72 0.00 0.00 55.73 52.80 1ugk s ARG 66 Cb -0.13 -3.43 0.04 0.00 -0.45 0.00 0.00 34.95 30.98 1ugk s ARG 66 CO 0.56 -0.99 0.19 1.63 -0.68 0.00 0.00 175.30 176.00 1ugk n LYS 67 N 4.49 -4.08 0.00 3.54 5.02 -0.97 -4.99 118.16 121.17 1ugk n LYS 67 Ca -0.01 3.12 0.00 0.00 -2.02 0.00 0.00 58.31 59.40 1ugk n LYS 67 Cb 0.42 -4.62 0.00 0.00 -0.02 0.00 0.00 35.03 30.81 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 1.67 0.00 1.54 -0.18 5.66 -0.25 -4.81 114.28 117.91 1ugk n THR 68 Ca -0.32 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 60.81 1ugk n THR 68 Cb 0.51 0.00 0.75 0.00 -1.55 0.00 0.00 70.33 70.04 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 -3.22 1.09 7.99 -1.26 -3.77 117.00 117.83 1ugk n LEU 69 Ca 0.00 0.08 -0.24 0.00 -0.01 0.00 0.00 56.01 55.84 1ugk n LEU 69 Cb 0.00 -0.08 -0.07 0.00 -0.11 0.00 0.00 43.42 43.15 1ugk n LEU 69 CO 0.00 -0.01 -0.29 -0.90 -1.51 0.00 0.00 177.39 174.67 1ugk n ASP 70 N -1.08 -0.00 -3.50 -1.43 5.75 -1.26 -2.16 116.55 112.86 1ugk n ASP 70 Ca 0.18 -2.65 -0.25 0.00 -0.01 0.00 0.00 54.79 52.06 1ugk n ASP 70 Cb 0.12 -0.58 0.19 0.00 -1.03 0.00 0.00 41.12 39.83 1ugk n ASP 70 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1ugk n PRO 71 N 1.66 -1.95 -3.15 0.11 -0.04 -1.25 -4.97 135.00 125.41 1ugk n PRO 71 Ca 0.22 -1.61 0.04 0.00 -0.04 0.00 0.00 63.50 62.11 1ugk n PRO 71 Cb 0.52 -1.27 -0.00 0.00 -0.04 0.00 0.00 33.50 32.71 1ugk n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ugk s ALA 72 N -3.50 -2.54 -0.10 0.55 0.00 -1.26 -3.60 121.76 111.30 1ugk s ALA 72 Ca 0.62 0.96 -0.20 0.00 0.00 0.00 0.00 51.96 53.34 1ugk s ALA 72 Cb -0.04 -2.60 -0.27 0.00 0.00 0.00 0.00 23.12 20.21 1ugk s ALA 72 CO 0.45 -1.91 0.65 0.74 0.00 0.00 0.00 175.76 175.69 1ugk h PHE 73 N 7.77 0.36 -7.01 0.00 0.04 -1.81 -3.48 116.94 112.81 1ugk h PHE 73 Ca -0.01 -0.26 -0.60 0.00 2.80 0.00 0.00 57.97 59.90 1ugk h PHE 73 Cb 1.19 -0.01 -0.27 0.00 2.20 0.00 0.00 35.95 39.05 1ugk h PHE 73 CO 0.21 1.40 -0.90 -3.47 -0.60 0.00 0.00 178.31 174.95 1ugk n ASP 74 N -4.13 -1.39 -4.49 2.17 -0.08 -0.10 -4.90 116.55 103.62 1ugk n ASP 74 Ca -0.20 -1.18 -0.27 0.00 -1.51 0.00 0.00 54.79 51.63 1ugk n ASP 74 Cb 0.79 -2.00 0.13 0.00 2.34 0.00 0.00 41.12 42.39 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 -7.15 1.33 -0.20 -0.67 2.02 -0.17 -4.83 118.70 109.04 1ugk s GLU 75 Ca 0.55 -0.66 -0.09 0.00 0.02 0.00 0.00 54.97 54.78 1ugk s GLU 75 Cb -0.31 -2.10 0.08 0.00 0.10 0.00 0.00 34.13 31.90 1ugk s GLU 75 CO 0.99 -1.82 0.46 0.99 0.02 0.00 0.00 175.26 175.90 1ugk s THR 76 N -3.48 -0.39 -0.06 3.63 2.01 -1.26 -0.71 115.64 115.38 1ugk s THR 76 Ca 0.68 0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.84 1ugk s THR 76 Cb -0.06 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 71.73 1ugk s THR 76 CO 0.48 0.05 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.93 1ugk s PHE 77 N 2.11 2.64 0.16 4.92 0.08 -1.18 -4.97 117.98 121.74 1ugk s PHE 77 Ca -0.06 -0.31 0.07 0.00 0.12 0.00 0.00 56.93 56.75 1ugk s PHE 77 Cb -0.10 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.67 1ugk s PHE 77 CO -0.14 0.07 -0.03 0.99 -0.10 0.00 0.00 175.22 176.01 1ugk s THR 78 N -0.52 3.60 -0.28 0.64 2.01 -1.26 -1.33 115.64 118.50 1ugk s THR 78 Ca 0.07 -1.42 0.01 0.00 0.31 0.00 0.00 61.69 60.65 1ugk s THR 78 Cb -0.12 -2.79 0.15 0.00 0.01 0.00 0.00 72.50 69.76 1ugk s THR 78 CO 0.01 -0.07 0.40 -0.36 -0.69 0.00 0.00 174.62 173.91 1ugk s PHE 79 N -1.64 -0.96 0.50 4.92 0.08 -0.65 -4.97 117.98 115.26 1ugk s PHE 79 Ca 0.26 0.45 -0.17 0.00 0.12 0.00 0.00 56.93 57.59 1ugk s PHE 79 Cb -0.10 -0.11 -0.08 0.00 -0.57 0.00 0.00 43.02 42.16 1ugk s PHE 79 CO 0.17 -0.92 0.98 0.71 -0.10 0.00 0.00 175.22 176.06 1ugk s TYR 80 N 2.54 3.43 0.00 0.36 2.02 -1.26 -1.66 117.35 122.78 1ugk s TYR 80 Ca 0.11 1.49 0.00 0.00 -0.37 0.00 0.00 57.07 58.29 1ugk s TYR 80 Cb -0.13 -2.80 0.00 0.00 -0.40 0.00 0.00 41.96 38.63 1ugk s TYR 80 CO -0.27 -0.32 0.00 0.41 -1.57 0.00 0.00 175.55 173.81 1ugk n GLY 81 N -1.40 2.70 3.39 0.71 0.00 -1.25 -4.98 105.19 104.37 1ugk n GLY 81 Ca 0.07 -0.65 -0.59 0.00 0.00 0.00 0.00 46.02 44.85 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 0.07 -2.49 -0.61 5.41 -1.26 -4.84 119.36 115.63 1ugk n ILE 82 Ca 0.00 -0.06 -0.41 0.00 1.00 0.00 0.00 62.75 63.28 1ugk n ILE 82 Cb 0.00 -0.81 -0.04 0.00 -0.71 0.00 0.00 39.64 38.07 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 5.48 4.60 0.64 0.38 0.04 -1.26 -4.56 135.00 140.31 1ugk s PRO 83 Ca 1.14 1.75 0.25 0.00 0.04 0.00 0.00 61.00 64.18 1ugk s PRO 83 Cb -1.32 -3.25 1.36 0.00 0.04 0.00 0.00 34.50 31.33 1ugk s PRO 83 CO 0.64 0.10 1.76 -0.92 0.04 0.00 0.00 177.00 178.62 1ugk h TYR 84 N 4.78 0.00 0.00 0.56 3.20 -1.89 1.58 116.97 125.19 1ugk h TYR 84 Ca -0.45 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.42 1ugk h TYR 84 Cb 1.21 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.48 1ugk h TYR 84 CO 0.62 0.00 0.00 1.79 -1.64 0.00 0.00 178.16 178.93 1ugk h THR 85 N 0.00 0.00 0.00 1.81 1.35 -1.99 -3.04 112.91 111.04 1ugk h THR 85 Ca 0.00 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1ugk h THR 85 Cb 0.82 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1ugk h THR 85 CO 0.00 0.00 -0.87 1.67 -0.25 0.00 0.00 175.52 176.07 1ugk n GLN 86 N -2.95 0.34 -0.32 4.72 7.27 0.54 -4.03 117.38 122.95 1ugk n GLN 86 Ca 0.04 0.05 0.09 0.00 0.07 0.00 0.00 57.00 57.25 1ugk n GLN 86 Cb 0.49 -1.66 0.25 0.00 2.41 0.00 0.00 30.24 31.73 1ugk n GLN 86 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1ugk h ILE 87 N 0.00 0.74 0.00 1.69 1.08 -1.36 1.36 117.51 121.02 1ugk h ILE 87 Ca 0.00 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1ugk h ILE 87 Cb 0.78 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.51 1ugk h ILE 87 CO 0.00 0.13 0.00 0.00 -0.69 0.00 0.00 178.15 177.59 1ugk n GLN 88 N -4.82 0.01 -0.21 2.37 6.02 -1.25 -0.62 117.38 118.90 1ugk n GLN 88 Ca 0.19 0.33 0.06 0.00 -0.01 0.00 0.00 57.00 57.57 1ugk n GLN 88 Cb 0.46 -1.50 0.17 0.00 1.02 0.00 0.00 30.24 30.39 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 -1.48 2.88 -2.21 -1.09 -0.58 0.46 -3.52 120.64 115.10 1ugk n GLU 89 Ca 0.02 -2.14 -0.08 0.00 -0.42 0.00 0.00 57.16 54.54 1ugk n GLU 89 Cb 0.10 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 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 0.51 0.00 0.00 -4.62 4.77 0.21 -4.07 117.00 113.80 1ugk n LEU 90 Ca 0.13 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 1ugk n LEU 90 Cb 0.47 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1ugk n LEU 90 CO 0.09 -0.38 0.00 0.00 -1.33 0.00 0.00 177.39 175.77 1ugk n ALA 91 N -2.64 0.00 -2.65 -1.18 0.00 0.54 -3.31 120.51 111.27 1ugk n ALA 91 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.97 1ugk n ALA 91 Cb 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.60 1ugk n ALA 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ugk s LEU 92 N 0.00 4.11 -0.48 0.00 1.43 -0.89 0.18 118.68 123.04 1ugk s LEU 92 Ca 0.00 0.93 -0.17 0.00 -1.03 0.00 0.00 54.13 53.86 1ugk s LEU 92 Cb 0.00 -3.03 0.06 0.00 0.03 0.00 0.00 46.19 43.25 1ugk s LEU 92 CO 0.00 -0.39 0.46 -2.28 0.23 0.00 0.00 176.35 174.37 1ugk s HIS 93 N 2.34 3.19 -0.08 0.29 2.46 -0.60 -1.23 115.29 121.66 1ugk s HIS 93 Ca 0.32 -0.78 -0.19 0.00 0.47 0.00 0.00 55.06 54.88 1ugk s HIS 93 Cb -0.16 -3.24 -0.05 0.00 -0.13 0.00 0.00 32.58 29.01 1ugk s HIS 93 CO 0.09 -0.85 0.51 -0.06 -2.47 0.00 0.00 174.74 171.96 1ugk s PHE 94 N 1.95 3.58 -0.12 3.88 0.08 0.59 -3.32 117.98 124.61 1ugk s PHE 94 Ca 0.08 0.99 -0.02 0.00 0.12 0.00 0.00 56.93 58.09 1ugk s PHE 94 Cb -0.22 -2.55 0.04 0.00 -0.57 0.00 0.00 43.02 39.72 1ugk s PHE 94 CO 0.09 0.25 0.01 0.99 -0.10 0.00 0.00 175.22 176.46 1ugk s THR 95 N 0.28 0.43 -0.73 0.64 2.01 -1.09 0.17 115.64 117.36 1ugk s THR 95 Ca 0.27 -0.14 -0.19 0.00 0.31 0.00 0.00 61.69 61.95 1ugk s THR 95 Cb -0.16 -0.73 0.12 0.00 0.01 0.00 0.00 72.50 71.74 1ugk s THR 95 CO 0.13 0.08 0.87 -0.63 -0.69 0.00 0.00 174.62 174.38 1ugk s ILE 96 N 1.93 4.81 0.00 1.82 1.09 -0.88 -1.17 121.20 128.80 1ugk s ILE 96 Ca 0.03 -1.24 0.00 0.00 -1.10 0.00 0.00 60.65 58.34 1ugk s ILE 96 Cb -0.14 -4.60 0.00 0.00 -1.06 0.00 0.00 42.46 36.66 1ugk s ILE 96 CO -0.06 -1.28 0.00 0.18 -0.10 0.00 0.00 174.94 173.68 1ugk n LEU 97 N 6.33 0.00 -3.26 2.97 4.32 -0.87 0.72 117.00 127.22 1ugk n LEU 97 Ca 0.04 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 56.01 1ugk n LEU 97 Cb 0.45 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.21 1ugk n LEU 97 CO 0.54 -0.23 0.08 -0.55 -1.22 0.00 0.00 177.39 176.01 1ugk s SER 98 N -1.00 -0.74 0.15 -1.43 0.15 -0.94 -3.10 113.70 106.79 1ugk s SER 98 Ca 0.00 0.67 -0.15 0.00 0.70 0.00 0.00 55.95 57.17 1ugk s SER 98 Cb 0.00 1.76 -0.07 0.00 -1.71 0.00 0.00 66.02 66.00 1ugk s SER 98 CO 0.00 -0.27 0.56 0.12 1.20 0.00 0.00 173.24 174.85 1ugk s PHE 99 N 2.74 3.61 -0.45 3.44 5.36 -0.40 -2.94 117.98 129.35 1ugk s PHE 99 Ca 0.16 1.09 0.09 0.00 -0.96 0.00 0.00 56.93 57.31 1ugk s PHE 99 Cb -0.15 -2.39 0.32 0.00 -0.34 0.00 0.00 43.02 40.46 1ugk s PHE 99 CO -0.19 0.42 0.75 -0.25 -1.46 0.00 0.00 175.22 174.50 1ugk n ASP 100 N 0.81 1.87 -2.84 6.13 9.92 -1.26 -3.47 116.55 127.71 1ugk n ASP 100 Ca -0.05 -3.16 -0.12 0.00 -0.53 0.00 0.00 54.79 50.93 1ugk n ASP 100 Cb 0.52 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 1ugk n ASP 100 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1ugk n ARG 101 N 0.39 -0.68 0.00 -1.24 1.85 -1.26 -4.57 116.66 111.15 1ugk n ARG 101 Ca 0.26 0.37 0.00 0.00 -1.00 0.00 0.00 57.85 57.48 1ugk n ARG 101 Cb 0.55 -0.90 0.00 0.00 -1.05 0.00 0.00 32.46 31.06 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 -1.13 0.00 0.00 2.89 3.72 -1.26 -5.04 117.46 116.64 1ugk n PHE 102 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1ugk n PHE 102 Cb 0.29 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 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 -0.32 0.00 -4.52 4.37 7.64 -1.26 -5.09 113.62 114.44 1ugk n SER 103 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1ugk n SER 103 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 1ugk n SER 103 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ugk n ARG 104 N 0.00 0.35 -3.04 1.43 1.74 -1.26 -4.83 116.66 111.05 1ugk n ARG 104 Ca 0.00 -0.05 -0.44 0.00 -0.77 0.00 0.00 57.85 56.58 1ugk n ARG 104 Cb 0.00 -2.17 -0.04 0.00 -1.02 0.00 0.00 32.46 29.23 1ugk n ARG 104 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ugk s ASP 105 N 9.17 6.31 -0.68 0.55 1.01 -1.26 -4.33 116.67 127.44 1ugk s ASP 105 Ca 1.22 -1.54 -0.24 0.00 0.71 0.00 0.00 52.55 52.70 1ugk s ASP 105 Cb -0.82 -2.34 0.06 0.00 1.01 0.00 0.00 42.92 40.83 1ugk s ASP 105 CO 0.40 -1.14 1.04 -1.81 0.21 0.00 0.00 175.17 173.87 1ugk s ASP 106 N 3.53 6.17 -0.25 0.27 1.11 -1.15 -4.86 116.67 121.50 1ugk s ASP 106 Ca 0.18 -0.84 -0.28 0.00 0.18 0.00 0.00 52.55 51.79 1ugk s ASP 106 Cb -0.18 -2.45 -0.05 0.00 1.07 0.00 0.00 42.92 41.31 1ugk s ASP 106 CO 0.03 -1.53 2.16 -0.63 1.18 0.00 0.00 175.17 176.38 1ugk s ILE 107 N 4.47 3.08 -0.00 0.77 1.01 -1.26 -2.22 121.20 127.05 1ugk s ILE 107 Ca 0.25 0.08 -0.21 0.00 0.00 0.00 0.00 60.65 60.78 1ugk s ILE 107 Cb -0.15 -3.11 -0.22 0.00 0.01 0.00 0.00 42.46 39.00 1ugk s ILE 107 CO 0.12 -0.07 1.13 0.40 0.00 0.00 0.00 174.94 176.51 1ugk h ILE 108 N 7.12 1.44 -1.74 2.92 2.04 0.07 -3.48 117.51 125.89 1ugk h ILE 108 Ca -0.39 -1.91 0.00 0.00 1.00 0.00 0.00 64.86 63.56 1ugk h ILE 108 Cb 1.23 2.50 0.00 0.00 -0.74 0.00 0.00 36.82 39.81 1ugk h ILE 108 CO 0.98 0.55 0.00 0.61 0.00 0.00 0.00 178.15 180.29 1ugk n GLY 109 N 0.90 2.27 3.41 5.37 0.00 0.37 -4.90 105.19 112.62 1ugk n GLY 109 Ca -0.09 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.21 1.06 0.03 1.61 2.02 0.48 -2.08 118.70 120.61 1ugk s GLU 110 Ca 0.00 -0.19 -0.22 0.00 0.02 0.00 0.00 54.97 54.58 1ugk s GLU 110 Cb 0.00 0.49 0.05 0.00 0.10 0.00 0.00 34.13 34.76 1ugk s GLU 110 CO 0.00 -0.38 0.50 0.54 0.02 0.00 0.00 175.26 175.93 1ugk s VAL 111 N -2.39 0.03 0.03 2.63 0.11 0.46 -1.10 120.40 120.18 1ugk s VAL 111 Ca -0.06 -0.28 -0.02 0.00 -2.93 0.00 0.00 61.98 58.69 1ugk s VAL 111 Cb -0.01 -0.94 -0.02 0.00 -1.53 0.00 0.00 36.38 33.88 1ugk s VAL 111 CO -0.01 -0.16 0.01 -0.22 -3.33 0.00 0.00 175.10 171.39 1ugk s LEU 112 N -1.84 2.15 -0.33 2.54 2.96 -1.26 0.22 118.68 123.12 1ugk s LEU 112 Ca -0.07 -0.60 0.01 0.00 -0.22 0.00 0.00 54.13 53.25 1ugk s LEU 112 Cb -0.01 0.27 0.14 0.00 0.50 0.00 0.00 46.19 47.09 1ugk s LEU 112 CO -0.00 -0.42 0.30 -0.51 -1.32 0.00 0.00 176.35 174.40 1ugk s ILE 113 N -2.24 -0.27 -0.08 6.68 1.10 -0.36 -4.94 121.20 121.08 1ugk s ILE 113 Ca -0.08 -0.85 -0.30 0.00 -0.51 0.00 0.00 60.65 58.91 1ugk s ILE 113 Cb -0.04 -0.89 -0.03 0.00 0.15 0.00 0.00 42.46 41.65 1ugk s ILE 113 CO -0.04 -0.60 1.23 -2.16 -2.11 0.00 0.00 174.94 171.26 1ugk s PRO 114 N 1.84 4.32 -0.01 3.50 0.04 -1.26 -2.09 135.00 141.34 1ugk s PRO 114 Ca 0.13 1.69 0.06 0.00 0.04 0.00 0.00 61.00 62.93 1ugk s PRO 114 Cb -0.16 -3.61 0.20 0.00 0.04 0.00 0.00 34.50 30.97 1ugk s PRO 114 CO -0.19 -0.52 1.13 1.28 0.04 0.00 0.00 177.00 178.74 1ugk n LEU 115 N 5.54 1.33 -2.95 -3.56 4.77 -1.21 -4.52 117.00 116.40 1ugk n LEU 115 Ca 0.12 -0.67 -0.20 0.00 -0.03 0.00 0.00 56.01 55.23 1ugk n LEU 115 Cb 0.46 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1ugk n LEU 115 CO 0.56 0.30 2.20 -0.24 -1.33 0.00 0.00 177.39 178.88 1ugk n SER 116 N 0.15 5.00 0.00 -1.43 2.88 -1.23 -2.24 113.62 116.75 1ugk n SER 116 Ca 0.07 -2.30 0.00 0.00 -1.33 0.00 0.00 58.87 55.31 1ugk n SER 116 Cb 0.23 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 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 3.48 0.32 3.76 0.46 0.00 -1.26 -5.02 105.19 106.92 1ugk n GLY 117 Ca 0.44 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.05 1ugk n GLY 117 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ugk s ILE 118 N 0.00 2.56 -0.20 -0.61 -1.09 -0.95 -5.00 121.20 115.91 1ugk s ILE 118 Ca 0.00 0.53 0.01 0.00 -2.23 0.00 0.00 60.65 58.96 1ugk s ILE 118 Cb 0.00 -3.33 0.04 0.00 -1.58 0.00 0.00 42.46 37.58 1ugk s ILE 118 CO 0.00 0.11 -0.13 -1.83 -1.23 0.00 0.00 174.94 171.86 1ugk s GLU 119 N -1.25 2.35 0.00 2.79 -1.05 -1.26 -4.88 118.70 115.40 1ugk s GLU 119 Ca 0.54 -0.94 0.13 0.00 -0.15 0.00 0.00 54.97 54.56 1ugk s GLU 119 Cb -0.42 -2.54 0.34 0.00 -0.44 0.00 0.00 34.13 31.07 1ugk s GLU 119 CO 0.51 -0.39 1.26 1.28 0.95 0.00 0.00 175.26 178.87 1ugk n LEU 120 N 4.61 3.00 0.20 1.83 4.77 -1.26 -4.49 117.00 125.67 1ugk n LEU 120 Ca -0.16 -1.86 0.18 0.00 -0.03 0.00 0.00 56.01 54.13 1ugk n LEU 120 Cb 0.47 -0.25 0.82 0.00 -2.33 0.00 0.00 43.42 42.13 1ugk n LEU 120 CO 0.22 0.73 1.15 -1.28 -1.33 0.00 0.00 177.39 176.88 1ugk h SER 121 N 2.54 0.00 0.03 -1.43 0.87 -1.98 -2.87 113.55 110.72 1ugk h SER 121 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ugk h SER 121 Cb 0.76 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1ugk h SER 121 CO 0.00 0.00 -0.02 -0.33 -0.53 0.00 0.00 176.83 175.95 1ugk h GLU 122 N 0.00 -0.04 -1.08 2.24 5.08 -2.03 -3.50 114.58 115.25 1ugk h GLU 122 Ca 0.10 0.00 0.30 0.00 -1.00 0.00 0.00 59.36 58.76 1ugk h GLU 122 Cb 0.56 0.01 -0.23 0.00 0.50 0.00 0.00 28.75 29.59 1ugk h GLU 122 CO -0.00 -0.03 0.96 0.20 -1.00 0.00 0.00 179.01 179.14 1ugk s GLY 123 N -2.23 -0.11 -0.22 -3.84 0.00 -1.08 -5.12 107.32 94.72 1ugk s GLY 123 Ca -0.01 2.20 -0.43 0.00 0.00 0.00 0.00 44.72 46.48 1ugk s GLY 123 CO 0.02 0.78 1.29 1.17 0.00 0.00 0.00 173.10 176.36 1ugk n LYS 124 N 0.16 0.00 -5.23 2.90 4.81 -1.26 -4.86 118.16 114.68 1ugk n LYS 124 Ca 0.03 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.16 1ugk n LYS 124 Cb 0.57 -1.48 -0.16 0.00 0.02 0.00 0.00 35.03 33.98 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 1.33 2.59 0.35 1.64 0.23 -1.19 -5.02 119.30 119.24 1ugk s MET 125 Ca 0.96 -0.89 -0.26 0.00 -1.03 0.00 0.00 55.69 54.47 1ugk s MET 125 Cb -1.36 -2.19 -0.09 0.00 -1.53 0.00 0.00 34.83 29.66 1ugk s MET 125 CO 0.67 0.38 1.05 -1.17 -2.03 0.00 0.00 175.02 173.93 1ugk s LEU 126 N -0.16 4.29 0.01 0.18 1.98 -1.26 -3.00 118.68 120.71 1ugk s LEU 126 Ca -0.03 2.08 -0.05 0.00 -2.89 0.00 0.00 54.13 53.24 1ugk s LEU 126 Cb -0.14 -3.99 -0.01 0.00 0.66 0.00 0.00 46.19 42.71 1ugk s LEU 126 CO 0.04 -0.34 0.08 -0.04 -1.89 0.00 0.00 176.35 174.20 1ugk s MET 127 N -2.12 0.41 -0.02 1.98 -1.94 0.33 -4.96 119.30 112.98 1ugk s MET 127 Ca 0.53 -0.44 0.01 0.00 -1.71 0.00 0.00 55.69 54.08 1ugk s MET 127 Cb -0.25 0.16 0.01 0.00 2.01 0.00 0.00 34.83 36.77 1ugk s MET 127 CO 0.31 -0.09 -0.03 0.54 -0.01 0.00 0.00 175.02 175.74 1ugk s ASN 128 N -1.33 0.61 0.17 3.03 4.22 -1.26 -0.52 114.94 119.86 1ugk s ASN 128 Ca -0.14 -0.08 0.09 0.00 -2.14 0.00 0.00 52.86 50.59 1ugk s ASN 128 Cb -0.08 -0.22 -0.04 0.00 1.28 0.00 0.00 41.25 42.19 1ugk s ASN 128 CO 0.01 -0.02 -0.19 -0.13 -2.04 0.00 0.00 177.10 174.72 1ugk s ARG 129 N 0.53 1.33 -0.21 3.55 1.81 0.12 -4.95 118.95 121.12 1ugk s ARG 129 Ca -0.06 -1.44 -0.12 0.00 -1.72 0.00 0.00 55.73 52.39 1ugk s ARG 129 Cb -0.09 -1.43 -0.05 0.00 -0.45 0.00 0.00 34.95 32.93 1ugk s ARG 129 CO -0.01 0.29 0.23 -1.83 -0.68 0.00 0.00 175.30 173.30 1ugk s GLU 130 N -2.81 4.14 -0.07 3.54 -1.05 -1.26 0.17 118.70 121.36 1ugk s GLU 130 Ca 0.17 -0.11 -0.30 0.00 -0.15 0.00 0.00 54.97 54.59 1ugk s GLU 130 Cb -0.06 -3.50 -0.02 0.00 -0.44 0.00 0.00 34.13 30.10 1ugk s GLU 130 CO 0.07 0.10 1.10 0.42 0.95 0.00 0.00 175.26 177.91 1ugk s ILE 131 N 0.93 4.51 0.08 1.83 1.01 0.24 -4.76 121.20 125.04 1ugk s ILE 131 Ca 0.11 1.80 0.01 0.00 0.00 0.00 0.00 60.65 62.58 1ugk s ILE 131 Cb -0.13 -4.16 -0.01 0.00 0.01 0.00 0.00 42.46 38.17 1ugk s ILE 131 CO 0.04 0.01 0.08 2.30 0.00 0.00 0.00 174.94 177.38 1ugk n ILE 132 N 4.52 0.00 -2.52 2.92 -6.64 -0.26 -4.01 119.36 113.38 1ugk n ILE 132 Ca 0.10 -0.58 -0.43 0.00 -1.77 0.00 0.00 62.75 60.07 1ugk n ILE 132 Cb 0.48 0.30 0.00 0.00 -1.44 0.00 0.00 39.64 38.98 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 -2.54 5.08 -0.53 7.28 2.88 -1.26 0.18 113.62 124.72 1ugk n SER 133 Ca 0.02 -3.05 0.05 0.00 -1.33 0.00 0.00 58.87 54.55 1ugk n SER 133 Cb 0.15 -1.52 -0.03 0.00 -0.75 0.00 0.00 64.21 62.06 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 3.34 -2.97 1.96 0.46 0.00 -1.26 -4.98 105.19 101.74 1ugk n GLY 134 Ca 0.40 -1.27 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.67 -1.41 -3.15 1.61 -0.04 -1.26 -4.99 135.00 123.08 1ugk n PRO 135 Ca -0.03 -1.01 0.06 0.00 -0.04 0.00 0.00 63.50 62.48 1ugk n PRO 135 Cb 0.23 -0.80 -0.02 0.00 -0.04 0.00 0.00 33.50 32.87 1ugk n PRO 135 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ugk s SER 136 N -3.33 -0.03 0.32 3.54 0.15 -1.26 -5.08 113.70 108.01 1ugk s SER 136 Ca 0.39 0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.06 1ugk s SER 136 Cb -0.02 1.03 0.00 0.00 -1.71 0.00 0.00 66.02 65.31 1ugk s SER 136 CO 0.28 -0.01 0.00 -0.24 1.20 0.00 0.00 173.24 174.48 1ugk n SER 137 N 5.32 -1.73 0.00 5.45 2.88 -1.26 -5.28 113.62 119.00 1ugk n SER 137 Ca -0.09 0.58 0.10 0.00 -1.33 0.00 0.00 58.87 58.12 1ugk n SER 137 Cb 0.55 1.75 0.57 0.00 -0.75 0.00 0.00 64.21 66.33 1ugk n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42