#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 -0.85 -0.30 1.61 0.01 -1.26 -5.12 113.70 107.79 1ugk s SER 2 Ca 0.00 -0.15 -0.12 0.00 1.31 0.00 0.00 55.95 56.99 1ugk s SER 2 Cb 0.00 1.31 0.18 0.00 0.21 0.00 0.00 66.02 67.73 1ugk s SER 2 CO 0.00 -0.13 1.05 -0.44 0.41 0.00 0.00 173.24 174.14 1ugk s SER 3 N 2.43 -0.42 0.00 2.44 0.01 -1.26 -5.18 113.70 111.73 1ugk s SER 3 Ca 0.18 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1ugk s SER 3 Cb -0.02 1.29 0.00 0.00 0.21 0.00 0.00 66.02 67.49 1ugk s SER 3 CO -0.18 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.00 1ugk n GLY 4 N 5.23 5.94 1.91 3.44 0.00 -1.26 -4.96 105.19 115.49 1ugk n GLY 4 Ca 0.04 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1ugk n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ugk n SER 5 N 0.00 -1.46 0.00 1.61 7.64 -1.26 -5.06 113.62 115.10 1ugk n SER 5 Ca 0.00 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1ugk n SER 5 Cb 0.00 1.65 0.00 0.00 -1.01 0.00 0.00 64.21 64.85 1ugk n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ugk n SER 6 N -2.81 0.00 -1.56 6.43 7.64 -1.26 -5.15 113.62 116.91 1ugk n SER 6 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.91 1ugk n SER 6 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1ugk n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugk n GLY 7 N 0.00 -3.98 0.09 0.23 0.00 -1.26 -4.71 105.19 95.55 1ugk n GLY 7 Ca 0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 46.02 45.10 1ugk n GLY 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ugk h LEU 8 N -0.08 0.00 0.00 0.99 3.38 -1.81 -3.45 115.31 114.35 1ugk h LEU 8 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ugk h LEU 8 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1ugk h LEU 8 CO 0.01 0.81 0.00 0.61 0.09 0.00 0.00 178.44 179.96 1ugk n GLY 9 N 1.34 1.33 3.54 0.83 0.00 -0.97 -4.15 105.19 107.11 1ugk n GLY 9 Ca -0.02 -2.26 -0.24 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.26 2.88 -0.13 2.61 2.01 0.05 -0.82 115.64 120.99 1ugk s THR 10 Ca 0.00 -2.15 0.01 0.00 0.31 0.00 0.00 61.69 59.86 1ugk s THR 10 Cb 0.00 -2.51 0.02 0.00 0.01 0.00 0.00 72.50 70.02 1ugk s THR 10 CO 0.00 -0.35 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.22 1ugk s LEU 11 N -3.47 1.64 -0.12 4.42 1.98 0.83 -2.65 118.68 121.31 1ugk s LEU 11 Ca 0.30 -0.44 -0.04 0.00 -2.89 0.00 0.00 54.13 51.05 1ugk s LEU 11 Cb -0.06 -1.11 -0.04 0.00 0.66 0.00 0.00 46.19 45.65 1ugk s LEU 11 CO 0.16 -0.04 0.04 -0.36 -1.89 0.00 0.00 176.35 174.27 1ugk s PHE 12 N 1.32 3.26 0.13 5.38 0.08 -0.96 -0.66 117.98 126.53 1ugk s PHE 12 Ca 0.01 0.21 -0.25 0.00 0.12 0.00 0.00 56.93 57.01 1ugk s PHE 12 Cb -0.14 -1.89 0.07 0.00 -0.57 0.00 0.00 43.02 40.49 1ugk s PHE 12 CO -0.07 0.43 0.92 -0.59 -0.10 0.00 0.00 175.22 175.80 1ugk s PHE 13 N -0.57 -0.19 -0.00 0.36 -0.71 0.35 -1.85 117.98 115.37 1ugk s PHE 13 Ca 0.10 -0.09 -0.03 0.00 -1.04 0.00 0.00 56.93 55.87 1ugk s PHE 13 Cb -0.12 0.62 -0.00 0.00 -1.21 0.00 0.00 43.02 42.31 1ugk s PHE 13 CO 0.02 -0.80 0.06 0.45 -1.34 0.00 0.00 175.22 173.61 1ugk s SER 14 N -2.84 0.05 -0.05 1.98 0.15 -0.78 0.93 113.70 113.14 1ugk s SER 14 Ca 0.10 -0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.59 1ugk s SER 14 Cb -0.02 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.42 1ugk s SER 14 CO -0.00 -0.21 0.02 -0.76 1.20 0.00 0.00 173.24 173.49 1ugk s LEU 15 N -0.84 3.66 -0.21 3.45 1.43 -1.09 -1.05 118.68 124.03 1ugk s LEU 15 Ca -0.09 0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 53.04 1ugk s LEU 15 Cb -0.06 -1.97 0.09 0.00 0.03 0.00 0.00 46.19 44.28 1ugk s LEU 15 CO 0.00 0.33 0.46 -0.70 0.23 0.00 0.00 176.35 176.68 1ugk s GLU 16 N -1.24 0.39 -0.18 1.70 2.12 0.65 -2.78 118.70 119.35 1ugk s GLU 16 Ca 0.17 1.07 -0.10 0.00 0.36 0.00 0.00 54.97 56.47 1ugk s GLU 16 Cb -0.12 0.34 -0.05 0.00 0.26 0.00 0.00 34.13 34.57 1ugk s GLU 16 CO 0.07 -0.22 0.14 -0.47 -0.54 0.00 0.00 175.26 174.24 1ugk s TYR 17 N 2.41 3.45 -0.83 5.30 5.04 -1.26 0.12 117.35 131.58 1ugk s TYR 17 Ca -0.04 0.38 -0.25 0.00 -2.44 0.00 0.00 57.07 54.72 1ugk s TYR 17 Cb -0.11 -2.13 0.01 0.00 0.35 0.00 0.00 41.96 40.09 1ugk s TYR 17 CO -0.14 0.37 1.54 1.21 -1.34 0.00 0.00 175.55 177.20 1ugk s ASN 18 N 0.09 5.94 0.25 4.32 3.84 0.45 -4.80 114.94 125.04 1ugk s ASN 18 Ca 0.10 -0.65 0.06 0.00 0.21 0.00 0.00 52.86 52.57 1ugk s ASN 18 Cb -0.11 -2.56 0.28 0.00 -0.55 0.00 0.00 41.25 38.31 1ugk s ASN 18 CO -0.01 -1.98 1.57 -0.26 -2.79 0.00 0.00 177.10 173.64 1ugk h PHE 19 N 11.05 0.22 -0.48 0.43 -1.00 -1.94 1.97 116.94 127.19 1ugk h PHE 19 Ca -0.07 -0.09 -0.03 0.00 2.81 0.00 0.00 57.97 60.59 1ugk h PHE 19 Cb 1.05 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 40.55 1ugk h PHE 19 CO 1.18 0.74 0.17 1.49 -1.61 0.00 0.00 178.31 180.28 1ugk h GLU 20 N 0.13 0.73 -0.19 1.51 4.57 -1.96 -3.01 114.58 116.36 1ugk h GLU 20 Ca -0.01 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.01 1ugk h GLU 20 Cb 1.11 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.57 1ugk h GLU 20 CO 0.09 0.67 -0.02 0.54 -1.18 0.00 0.00 179.01 179.11 1ugk n ARG 21 N -4.55 2.28 -3.61 1.92 1.74 -1.18 -5.00 116.66 108.26 1ugk n ARG 21 Ca 0.01 -2.83 -0.21 0.00 -0.77 0.00 0.00 57.85 54.05 1ugk n ARG 21 Cb 0.17 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 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 -0.87 -1.31 -4.35 5.56 4.76 0.54 -4.88 118.16 117.61 1ugk n LYS 22 Ca 0.21 0.63 -0.21 0.00 -2.87 0.00 0.00 58.31 56.07 1ugk n LYS 22 Cb 0.83 -1.88 -0.08 0.00 -1.84 0.00 0.00 35.03 32.06 1ugk n LYS 22 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ugk s ALA 23 N -2.84 2.14 -0.03 7.82 0.00 0.52 -4.23 121.76 125.14 1ugk s ALA 23 Ca 0.00 -1.77 0.06 0.00 0.00 0.00 0.00 51.96 50.25 1ugk s ALA 23 Cb -0.00 1.24 -0.01 0.00 0.00 0.00 0.00 23.12 24.34 1ugk s ALA 23 CO 0.77 -0.55 -0.22 0.12 0.00 0.00 0.00 175.76 175.87 1ugk s PHE 24 N -3.44 2.07 -0.08 0.00 5.36 0.86 0.17 117.98 122.92 1ugk s PHE 24 Ca 0.35 -0.48 0.00 0.00 -0.96 0.00 0.00 56.93 55.85 1ugk s PHE 24 Cb 0.03 -1.35 0.02 0.00 -0.34 0.00 0.00 43.02 41.38 1ugk s PHE 24 CO 0.22 -0.10 -0.06 0.08 -1.46 0.00 0.00 175.22 173.90 1ugk s VAL 25 N -0.36 0.80 -0.64 3.12 1.01 0.33 0.81 120.40 125.47 1ugk s VAL 25 Ca 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1ugk s VAL 25 Cb -0.10 -0.83 0.16 0.00 0.00 0.00 0.00 36.38 35.61 1ugk s VAL 25 CO 0.01 0.31 0.44 -0.69 0.00 0.00 0.00 175.10 175.17 1ugk s VAL 26 N 1.41 3.48 0.14 2.92 1.01 -0.87 -0.25 120.40 128.24 1ugk s VAL 26 Ca -0.02 -3.26 -0.31 0.00 0.00 0.00 0.00 61.98 58.40 1ugk s VAL 26 Cb -0.13 -3.28 -0.08 0.00 0.00 0.00 0.00 36.38 32.88 1ugk s VAL 26 CO -0.04 -0.90 1.38 0.21 0.00 0.00 0.00 175.10 175.76 1ugk s ASN 27 N 0.19 6.82 -0.43 3.32 3.84 -0.21 -3.65 114.94 124.82 1ugk s ASN 27 Ca 0.19 2.37 -0.05 0.00 0.21 0.00 0.00 52.86 55.58 1ugk s ASN 27 Cb -0.19 -2.59 0.11 0.00 -0.55 0.00 0.00 41.25 38.03 1ugk s ASN 27 CO -0.04 -0.63 0.26 -0.63 -2.79 0.00 0.00 177.10 173.26 1ugk s ILE 28 N 0.81 3.67 0.00 -5.21 1.01 0.43 -1.87 121.20 120.04 1ugk s ILE 28 Ca 0.63 -1.93 0.00 0.00 0.00 0.00 0.00 60.65 59.34 1ugk s ILE 28 Cb -0.37 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1ugk s ILE 28 CO 0.33 -0.72 0.00 1.17 0.00 0.00 0.00 174.94 175.72 1ugk n LYS 29 N 4.73 2.96 -4.19 2.79 3.00 -0.77 0.14 118.16 126.82 1ugk n LYS 29 Ca -0.05 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.02 1ugk n LYS 29 Cb 0.41 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 2.20 -0.02 1.64 -1.05 -1.24 -1.78 118.70 118.45 1ugk s GLU 30 Ca 0.00 -1.78 0.08 0.00 -0.15 0.00 0.00 54.97 53.12 1ugk s GLU 30 Cb 0.00 -1.99 -0.02 0.00 -0.44 0.00 0.00 34.13 31.68 1ugk s GLU 30 CO 0.00 -0.01 -0.26 0.00 0.95 0.00 0.00 175.26 175.94 1ugk s ALA 31 N -2.56 2.16 0.01 -0.84 0.00 -0.73 -2.27 121.76 117.53 1ugk s ALA 31 Ca 0.39 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 51.29 1ugk s ALA 31 Cb 0.02 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 1ugk s ALA 31 CO 0.22 0.52 -0.18 1.03 0.00 0.00 0.00 175.76 177.35 1ugk s ARG 32 N -0.57 1.32 0.00 0.00 0.52 -1.08 -3.56 118.95 115.57 1ugk s ARG 32 Ca 0.09 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 1ugk s ARG 32 Cb -0.10 -1.33 0.00 0.00 0.52 0.00 0.00 34.95 34.04 1ugk s ARG 32 CO -0.01 0.35 0.00 0.41 0.02 0.00 0.00 175.30 176.08 1ugk n GLY 33 N 2.29 0.50 3.66 -3.53 0.00 -1.26 -0.77 105.19 106.08 1ugk n GLY 33 Ca -0.16 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.56 4.12 0.27 0.99 1.02 -1.09 -2.29 118.68 120.14 1ugk s LEU 34 Ca 0.00 0.18 -0.30 0.00 0.02 0.00 0.00 54.13 54.03 1ugk s LEU 34 Cb 0.00 -2.17 -0.09 0.00 0.02 0.00 0.00 46.19 43.95 1ugk s LEU 34 CO 0.00 0.05 1.08 -2.16 0.02 0.00 0.00 176.35 175.33 1ugk s PRO 35 N 1.08 4.67 0.39 1.29 0.04 -1.26 -4.81 135.00 136.40 1ugk s PRO 35 Ca 0.09 1.76 -0.25 0.00 0.04 0.00 0.00 61.00 62.65 1ugk s PRO 35 Cb -0.14 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.11 1ugk s PRO 35 CO 0.05 0.25 1.12 0.00 0.04 0.00 0.00 177.00 178.45 1ugk s ALA 36 N -1.14 3.13 -0.26 8.56 0.00 -1.26 -4.95 121.76 125.84 1ugk s ALA 36 Ca 0.44 0.86 -0.13 0.00 0.00 0.00 0.00 51.96 53.12 1ugk s ALA 36 Cb -0.31 -3.33 -0.14 0.00 0.00 0.00 0.00 23.12 19.34 1ugk s ALA 36 CO 0.40 -0.39 -0.25 -1.33 0.00 0.00 0.00 175.76 174.19 1ugk n MET 37 N 0.07 0.60 -2.55 0.00 2.81 -1.26 -4.97 117.12 111.82 1ugk n MET 37 Ca 0.04 0.29 -0.27 0.00 -1.81 0.00 0.00 57.70 55.96 1ugk n MET 37 Cb 0.48 -1.53 0.01 0.00 -0.71 0.00 0.00 33.22 31.46 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 -7.31 5.98 -0.71 7.83 -1.08 -1.26 -5.02 116.67 115.10 1ugk s ASP 38 Ca -0.37 0.82 0.04 0.00 -0.52 0.00 0.00 52.55 52.52 1ugk s ASP 38 Cb 0.13 -2.00 0.31 0.00 -1.46 0.00 0.00 42.92 39.90 1ugk s ASP 38 CO 0.52 -0.78 1.09 -0.62 0.52 0.00 0.00 175.17 175.90 1ugk n GLU 39 N -2.38 3.54 0.00 4.34 -0.58 -1.26 -4.58 120.64 119.71 1ugk n GLU 39 Ca 0.02 -4.77 -0.00 0.00 -0.42 0.00 0.00 57.16 52.00 1ugk n GLU 39 Cb 0.56 -2.30 -0.00 0.00 -0.57 0.00 0.00 31.44 29.13 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 0.18 0.00 -2.53 3.49 1.13 -1.26 -4.91 117.38 113.48 1ugk n GLN 40 Ca 0.33 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 55.27 1ugk n GLN 40 Cb 0.37 -0.16 0.03 0.00 0.11 0.00 0.00 30.24 30.59 1ugk n GLN 40 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1ugk n SER 41 N -2.50 2.91 -4.21 1.08 7.64 -1.26 -4.98 113.62 112.30 1ugk n SER 41 Ca -0.00 -2.88 -0.40 0.00 1.01 0.00 0.00 58.87 56.61 1ugk n SER 41 Cb 0.00 -0.45 -0.04 0.00 -1.01 0.00 0.00 64.21 62.71 1ugk n SER 41 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1ugk n MET 42 N -0.50 -0.55 -3.54 1.43 1.56 -1.26 -4.92 117.12 109.33 1ugk n MET 42 Ca 0.22 0.07 -0.11 0.00 -0.27 0.00 0.00 57.70 57.61 1ugk n MET 42 Cb 0.83 -2.99 -0.03 0.00 2.15 0.00 0.00 33.22 33.18 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 -3.95 0.03 0.35 1.12 -1.32 -1.26 -4.82 115.64 105.79 1ugk s THR 43 Ca 0.25 -0.32 -0.13 0.00 -1.21 0.00 0.00 61.69 60.28 1ugk s THR 43 Cb -0.14 -1.12 0.03 0.00 -1.51 0.00 0.00 72.50 69.76 1ugk s THR 43 CO 0.99 -0.15 0.68 -0.44 -2.21 0.00 0.00 174.62 173.49 1ugk s SER 44 N -2.78 0.16 -0.68 8.08 0.01 -1.25 -4.45 113.70 112.78 1ugk s SER 44 Ca 0.02 -1.12 0.05 0.00 1.31 0.00 0.00 55.95 56.22 1ugk s SER 44 Cb 0.00 0.76 0.23 0.00 0.21 0.00 0.00 66.02 67.23 1ugk s SER 44 CO -0.12 -1.50 0.73 0.47 0.41 0.00 0.00 173.24 173.24 1ugk n ASP 45 N -1.16 3.75 -4.79 2.44 8.00 -1.26 -2.09 116.55 121.45 1ugk n ASP 45 Ca -0.05 -3.39 -0.29 0.00 0.71 0.00 0.00 54.79 51.77 1ugk n ASP 45 Cb 0.60 -0.73 0.12 0.00 -0.02 0.00 0.00 41.12 41.09 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 -2.25 1.50 -0.28 -0.24 0.04 -1.26 -1.77 135.00 130.73 1ugk s PRO 46 Ca 0.36 0.42 -0.24 0.00 0.04 0.00 0.00 61.00 61.58 1ugk s PRO 46 Cb 0.10 -1.87 0.11 0.00 0.04 0.00 0.00 34.50 32.88 1ugk s PRO 46 CO -0.04 -1.98 0.93 1.52 0.04 0.00 0.00 177.00 177.46 1ugk s TYR 47 N -3.23 -0.60 0.05 0.56 1.13 -1.21 -3.66 117.35 110.39 1ugk s TYR 47 Ca 0.63 1.41 -0.15 0.00 -1.41 0.00 0.00 57.07 57.55 1ugk s TYR 47 Cb -0.15 0.35 -0.06 0.00 -1.10 0.00 0.00 41.96 41.00 1ugk s TYR 47 CO 0.54 -0.29 0.47 0.42 -2.51 0.00 0.00 175.55 174.18 1ugk s ILE 48 N 0.43 4.93 -0.16 -3.49 1.01 -1.26 -2.20 121.20 120.47 1ugk s ILE 48 Ca 0.01 0.89 -0.01 0.00 0.00 0.00 0.00 60.65 61.53 1ugk s ILE 48 Cb -0.05 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 1ugk s ILE 48 CO -0.06 0.48 -0.10 -0.54 0.00 0.00 0.00 174.94 174.72 1ugk s LYS 49 N -1.33 3.38 0.11 2.79 1.02 -0.72 -1.59 119.74 123.40 1ugk s LYS 49 Ca 0.28 -0.67 -0.05 0.00 0.02 0.00 0.00 55.97 55.56 1ugk s LYS 49 Cb -0.17 -2.76 -0.05 0.00 -0.52 0.00 0.00 37.83 34.33 1ugk s LYS 49 CO 0.16 0.07 0.34 1.41 -0.92 0.00 0.00 175.35 176.41 1ugk s MET 50 N 0.74 3.60 -0.25 1.68 1.75 0.34 -2.33 119.30 124.83 1ugk s MET 50 Ca -0.05 -0.11 -0.14 0.00 -1.25 0.00 0.00 55.69 54.15 1ugk s MET 50 Cb -0.15 -2.92 0.08 0.00 2.84 0.00 0.00 34.83 34.68 1ugk s MET 50 CO 0.02 0.52 0.62 0.99 -0.65 0.00 0.00 175.02 176.51 1ugk s THR 51 N -1.57 -0.08 -0.63 10.11 2.01 -1.19 -1.94 115.64 122.34 1ugk s THR 51 Ca 0.38 0.02 -0.23 0.00 0.31 0.00 0.00 61.69 62.17 1ugk s THR 51 Cb -0.13 -0.91 0.06 0.00 0.01 0.00 0.00 72.50 71.54 1ugk s THR 51 CO 0.23 0.01 0.97 -0.63 -0.69 0.00 0.00 174.62 174.51 1ugk s ILE 52 N 1.68 4.32 0.39 1.82 1.01 -1.16 -1.60 121.20 127.66 1ugk s ILE 52 Ca -0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 60.65 60.35 1ugk s ILE 52 Cb -0.06 -4.65 -0.04 0.00 0.01 0.00 0.00 42.46 37.71 1ugk s ILE 52 CO -0.18 -1.38 0.66 -0.76 0.00 0.00 0.00 174.94 173.28 1ugk s LEU 53 N 4.09 3.86 0.09 2.97 1.43 0.35 0.26 118.68 131.72 1ugk s LEU 53 Ca 0.25 0.76 -0.13 0.00 -1.03 0.00 0.00 54.13 53.97 1ugk s LEU 53 Cb -0.15 -3.65 -0.20 0.00 0.03 0.00 0.00 46.19 42.21 1ugk s LEU 53 CO 0.13 -0.39 1.23 1.55 0.23 0.00 0.00 176.35 179.10 1ugk h PRO 54 N 0.80 0.74 0.00 1.29 0.13 -1.85 0.35 132.00 133.45 1ugk h PRO 54 Ca -0.48 -0.72 0.00 0.00 -0.87 0.00 0.00 66.00 63.93 1ugk h PRO 54 Cb 1.20 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1ugk h PRO 54 CO 0.63 1.30 0.00 -0.85 -0.23 0.00 0.00 178.00 178.85 1ugk n GLU 55 N -3.88 0.00 -1.07 0.86 0.28 -1.22 -4.63 120.64 110.98 1ugk n GLU 55 Ca -0.10 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.88 1ugk n GLU 55 Cb 0.83 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.70 1ugk n GLU 55 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1ugk n LYS 56 N -2.73 -0.54 0.00 3.44 4.81 0.72 -4.94 118.16 118.92 1ugk n LYS 56 Ca 0.00 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 1ugk n LYS 56 Cb 0.00 -3.92 0.00 0.00 0.02 0.00 0.00 35.03 31.13 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 -2.17 0.00 -1.54 1.64 0.00 -1.25 -4.46 118.16 110.38 1ugk n LYS 57 Ca -0.02 0.05 -0.18 0.00 0.00 0.00 0.00 58.31 58.16 1ugk n LYS 57 Cb 0.17 -0.77 -0.12 0.00 0.00 0.00 0.00 35.03 34.30 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 -0.66 0.78 -3.72 5.64 8.25 -1.26 -4.85 115.22 119.40 1ugk n HIS 58 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.09 1ugk n HIS 58 Cb 0.00 -1.91 -0.12 0.00 1.12 0.00 0.00 29.99 29.08 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 8.26 3.29 0.07 -0.41 1.02 -1.26 -2.98 119.74 127.72 1ugk s LYS 59 Ca 1.07 -0.74 0.06 0.00 0.02 0.00 0.00 55.97 56.39 1ugk s LYS 59 Cb -0.40 -3.44 -0.03 0.00 -0.52 0.00 0.00 37.83 33.44 1ugk s LYS 59 CO 0.26 -0.39 -0.16 0.14 -0.92 0.00 0.00 175.35 174.28 1ugk s VAL 60 N 1.57 1.32 0.07 3.17 -7.23 -0.82 -5.02 120.40 113.46 1ugk s VAL 60 Ca 0.04 -1.27 0.06 0.00 -1.81 0.00 0.00 61.98 59.00 1ugk s VAL 60 Cb -0.17 -1.21 -0.03 0.00 0.56 0.00 0.00 36.38 35.53 1ugk s VAL 60 CO 0.04 -0.08 -0.17 -1.59 -0.31 0.00 0.00 175.10 172.99 1ugk s LYS 61 N -1.57 0.99 0.13 4.82 -2.85 -1.26 0.13 119.74 120.13 1ugk s LYS 61 Ca 0.02 -0.99 -0.18 0.00 -1.00 0.00 0.00 55.97 53.82 1ugk s LYS 61 Cb -0.09 -1.09 -0.07 0.00 -2.06 0.00 0.00 37.83 34.51 1ugk s LYS 61 CO 0.02 0.26 0.61 0.95 0.10 0.00 0.00 175.35 177.29 1ugk s THR 62 N -1.12 4.71 0.02 3.79 -4.23 -0.62 -4.96 115.64 113.23 1ugk s THR 62 Ca 0.02 1.15 -0.34 0.00 -1.18 0.00 0.00 61.69 61.34 1ugk s THR 62 Cb -0.10 -3.86 -0.13 0.00 1.34 0.00 0.00 72.50 69.76 1ugk s THR 62 CO 0.03 0.39 1.75 -2.11 -0.54 0.00 0.00 174.62 174.14 1ugk n ARG 63 N 1.25 2.16 -2.41 3.99 1.85 -1.26 -4.53 116.66 117.71 1ugk n ARG 63 Ca -0.07 0.79 -0.42 0.00 -1.00 0.00 0.00 57.85 57.15 1ugk n ARG 63 Cb 0.51 -2.60 -0.03 0.00 -1.05 0.00 0.00 32.46 29.29 1ugk n ARG 63 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1ugk s VAL 64 N 2.74 4.06 0.99 8.89 -7.23 -1.26 -4.81 120.40 123.78 1ugk s VAL 64 Ca 0.87 1.45 -0.13 0.00 -1.81 0.00 0.00 61.98 62.36 1ugk s VAL 64 Cb -0.69 -3.93 0.18 0.00 0.56 0.00 0.00 36.38 32.50 1ugk s VAL 64 CO 0.46 0.07 1.12 -0.76 -0.31 0.00 0.00 175.10 175.67 1ugk s LEU 65 N 1.55 1.65 -0.14 1.32 2.01 -1.24 -5.00 118.68 118.84 1ugk s LEU 65 Ca 0.58 1.01 -0.01 0.00 0.01 0.00 0.00 54.13 55.73 1ugk s LEU 65 Cb -0.28 -3.19 -0.02 0.00 0.01 0.00 0.00 46.19 42.71 1ugk s LEU 65 CO 0.27 -3.04 -0.10 -0.13 1.01 0.00 0.00 176.35 174.35 1ugk s ARG 66 N -5.14 3.46 -0.05 1.70 1.81 -1.26 -4.44 118.95 115.02 1ugk s ARG 66 Ca 0.66 -0.64 -0.04 0.00 -1.72 0.00 0.00 55.73 53.98 1ugk s ARG 66 Cb -0.16 -2.72 0.01 0.00 -0.45 0.00 0.00 34.95 31.63 1ugk s ARG 66 CO 0.56 0.21 0.07 1.63 -0.68 0.00 0.00 175.30 177.09 1ugk n LYS 67 N 3.56 -0.48 -3.65 3.54 5.02 -1.25 -5.00 118.16 119.91 1ugk n LYS 67 Ca -0.18 0.86 -0.03 0.00 -2.02 0.00 0.00 58.31 56.93 1ugk n LYS 67 Cb 0.53 -1.14 -0.07 0.00 -0.02 0.00 0.00 35.03 34.33 1ugk n LYS 67 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1ugk s THR 68 N -1.06 0.00 -2.19 -0.18 -1.32 -0.89 -4.91 115.64 105.10 1ugk s THR 68 Ca 0.04 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.73 1ugk s THR 68 Cb -0.00 -1.00 0.51 0.00 -1.51 0.00 0.00 72.50 70.49 1ugk s THR 68 CO 0.11 0.00 1.46 0.18 -2.21 0.00 0.00 174.62 174.15 1ugk n LEU 69 N 2.15 3.26 -3.18 9.08 4.77 -1.26 -3.87 117.00 127.96 1ugk n LEU 69 Ca -0.13 -1.54 -0.12 0.00 -0.03 0.00 0.00 56.01 54.20 1ugk n LEU 69 Cb 0.57 -0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1ugk n LEU 69 CO 0.02 0.77 -0.06 -1.81 -1.33 0.00 0.00 177.39 174.98 1ugk s ASP 70 N -1.22 -0.04 0.48 -1.43 1.11 -1.26 -2.67 116.67 111.64 1ugk s ASP 70 Ca 0.40 -1.72 -0.20 0.00 0.18 0.00 0.00 52.55 51.21 1ugk s ASP 70 Cb 0.22 1.03 -0.09 0.00 1.07 0.00 0.00 42.92 45.16 1ugk s ASP 70 CO 0.30 -0.17 1.04 -2.16 1.18 0.00 0.00 175.17 175.36 1ugk s PRO 71 N 1.12 3.83 -0.43 8.23 0.04 -1.23 -4.89 135.00 141.66 1ugk s PRO 71 Ca 0.23 1.37 0.02 0.00 0.04 0.00 0.00 61.00 62.66 1ugk s PRO 71 Cb -0.06 -2.12 0.14 0.00 0.04 0.00 0.00 34.50 32.50 1ugk s PRO 71 CO -0.07 -0.41 0.24 0.00 0.04 0.00 0.00 177.00 176.80 1ugk s ALA 72 N -1.96 2.03 -0.01 8.56 0.00 -1.26 -1.77 121.76 127.36 1ugk s ALA 72 Ca 0.67 -2.53 -0.20 0.00 0.00 0.00 0.00 51.96 49.90 1ugk s ALA 72 Cb -0.17 -1.86 -0.28 0.00 0.00 0.00 0.00 23.12 20.81 1ugk s ALA 72 CO 0.20 -2.07 1.01 0.74 0.00 0.00 0.00 175.76 175.65 1ugk h PHE 73 N 6.73 0.67 -6.72 0.00 0.04 -1.78 -3.47 116.94 112.41 1ugk h PHE 73 Ca 0.00 -0.43 -0.55 0.00 2.80 0.00 0.00 57.97 59.80 1ugk h PHE 73 Cb 0.93 -0.05 -0.30 0.00 2.20 0.00 0.00 35.95 38.73 1ugk h PHE 73 CO 0.48 1.29 -0.81 -0.40 -0.60 0.00 0.00 178.31 178.26 1ugk n ASP 74 N -4.09 -1.01 -4.53 2.17 5.75 0.12 -4.87 116.55 110.09 1ugk n ASP 74 Ca -0.13 -1.10 -0.25 0.00 -0.01 0.00 0.00 54.79 53.31 1ugk n ASP 74 Cb 0.80 -1.40 0.13 0.00 -1.03 0.00 0.00 41.12 39.63 1ugk n ASP 74 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1ugk s GLU 75 N -6.56 1.36 -0.19 0.11 0.41 -0.21 -4.82 118.70 108.80 1ugk s GLU 75 Ca 0.56 -1.08 -0.09 0.00 -0.41 0.00 0.00 54.97 53.95 1ugk s GLU 75 Cb -0.33 -2.23 0.07 0.00 -1.78 0.00 0.00 34.13 29.86 1ugk s GLU 75 CO 0.89 -1.72 0.44 0.99 -0.49 0.00 0.00 175.26 175.37 1ugk s THR 76 N -3.32 -0.22 -0.19 3.63 2.01 -1.26 -0.43 115.64 115.87 1ugk s THR 76 Ca 0.69 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.79 1ugk s THR 76 Cb -0.04 -0.66 0.01 0.00 0.01 0.00 0.00 72.50 71.82 1ugk s THR 76 CO 0.47 0.04 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.94 1ugk s PHE 77 N 1.79 2.85 -0.03 4.92 0.08 -1.24 -4.97 117.98 121.38 1ugk s PHE 77 Ca -0.07 -1.36 -0.09 0.00 0.12 0.00 0.00 56.93 55.53 1ugk s PHE 77 Cb -0.09 -1.99 -0.05 0.00 -0.57 0.00 0.00 43.02 40.32 1ugk s PHE 77 CO -0.13 -0.70 0.28 0.99 -0.10 0.00 0.00 175.22 175.56 1ugk s THR 78 N 1.35 5.27 -0.06 0.64 2.01 -1.26 -2.05 115.64 121.54 1ugk s THR 78 Ca 0.05 0.39 -0.01 0.00 0.31 0.00 0.00 61.69 62.43 1ugk s THR 78 Cb -0.14 -3.56 0.03 0.00 0.01 0.00 0.00 72.50 68.84 1ugk s THR 78 CO -0.09 0.50 0.00 -0.36 -0.69 0.00 0.00 174.62 173.98 1ugk s PHE 79 N -1.16 0.60 -0.18 4.92 0.08 0.24 -4.96 117.98 117.52 1ugk s PHE 79 Ca 0.23 -0.13 -0.08 0.00 0.12 0.00 0.00 56.93 57.07 1ugk s PHE 79 Cb -0.14 -0.74 -0.04 0.00 -0.57 0.00 0.00 43.02 41.52 1ugk s PHE 79 CO 0.12 -0.30 0.10 0.71 -0.10 0.00 0.00 175.22 175.75 1ugk s TYR 80 N 1.87 3.35 0.00 0.36 2.02 -1.26 -0.10 117.35 123.58 1ugk s TYR 80 Ca 0.03 0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.96 1ugk s TYR 80 Cb -0.12 -2.09 0.00 0.00 -0.40 0.00 0.00 41.96 39.35 1ugk s TYR 80 CO -0.04 0.28 0.00 0.41 -1.57 0.00 0.00 175.55 174.62 1ugk n GLY 81 N 3.33 4.20 3.63 0.71 0.00 -1.26 -5.04 105.19 110.77 1ugk n GLY 81 Ca -0.17 -0.77 -0.61 0.00 0.00 0.00 0.00 46.02 44.47 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 0.13 1.07 -0.61 -0.00 -1.26 -4.73 119.36 113.96 1ugk n ILE 82 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 62.75 62.71 1ugk n ILE 82 Cb 0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 39.64 38.77 1ugk n ILE 82 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 1ugk n PRO 83 N 5.45 0.75 0.00 0.38 -0.04 -1.26 -4.72 135.00 135.56 1ugk n PRO 83 Ca 0.34 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1ugk n PRO 83 Cb 0.04 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 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 -0.14 0.00 0.21 0.54 9.36 -1.26 -4.26 117.16 121.61 1ugk n TYR 84 Ca 0.00 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.34 1ugk n TYR 84 Cb 0.11 0.00 0.65 0.00 -0.63 0.00 0.00 39.34 39.47 1ugk n TYR 84 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 1ugk h THR 85 N 0.00 0.00 0.00 2.97 1.35 -2.00 1.00 112.91 116.23 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 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 66.95 1ugk h THR 85 CO 0.00 0.00 -0.52 1.67 -0.25 0.00 0.00 175.52 176.42 1ugk n GLN 86 N -2.40 0.08 0.10 4.72 7.27 -1.26 -4.07 117.38 121.81 1ugk n GLN 86 Ca -0.02 0.02 -0.12 0.00 0.07 0.00 0.00 57.00 56.95 1ugk n GLN 86 Cb 0.15 -1.55 -0.05 0.00 2.41 0.00 0.00 30.24 31.20 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 0.56 -0.46 1.69 1.08 0.70 0.31 117.51 121.39 1ugk h ILE 87 Ca 0.00 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.60 1ugk h ILE 87 Cb 0.56 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 34.85 1ugk h ILE 87 CO 0.00 0.00 0.61 1.56 -0.69 0.00 0.00 178.15 179.63 1ugk h GLN 88 N -0.36 0.00 0.00 2.37 4.20 -1.70 1.36 115.11 120.98 1ugk h GLN 88 Ca 0.03 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.59 1ugk h GLN 88 Cb 0.39 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 1ugk h GLN 88 CO -0.12 0.00 -1.52 0.39 -0.67 0.00 0.00 178.83 176.91 1ugk n GLU 89 N -3.44 0.63 -0.59 1.46 -0.58 0.24 -2.03 120.64 116.33 1ugk n GLU 89 Ca 0.09 0.14 -0.22 0.00 -0.42 0.00 0.00 57.16 56.75 1ugk n GLU 89 Cb 0.78 -1.75 0.20 0.00 -0.57 0.00 0.00 31.44 30.10 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 -2.78 0.00 0.00 -4.62 4.32 0.47 -4.15 117.00 110.23 1ugk n LEU 90 Ca -0.10 -0.80 0.00 0.00 -0.02 0.00 0.00 56.01 55.09 1ugk n LEU 90 Cb 0.81 -0.75 0.00 0.00 -1.62 0.00 0.00 43.42 41.86 1ugk n LEU 90 CO 0.43 -2.07 0.00 0.00 -1.22 0.00 0.00 177.39 174.53 1ugk n ALA 91 N -4.62 0.00 -2.68 -1.18 0.00 0.11 -3.45 120.51 108.69 1ugk n ALA 91 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.92 1ugk n ALA 91 Cb 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.83 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 4.31 -0.34 0.00 2.01 -0.97 0.13 118.68 123.82 1ugk s LEU 92 Ca 0.00 0.73 -0.01 0.00 0.01 0.00 0.00 54.13 54.86 1ugk s LEU 92 Cb 0.00 -2.54 0.08 0.00 0.01 0.00 0.00 46.19 43.74 1ugk s LEU 92 CO 0.00 0.12 0.08 -2.28 1.01 0.00 0.00 176.35 175.28 1ugk s HIS 93 N 0.13 3.48 -0.38 0.29 2.46 -0.63 -0.89 115.29 119.75 1ugk s HIS 93 Ca 0.22 -2.31 -0.16 0.00 0.47 0.00 0.00 55.06 53.28 1ugk s HIS 93 Cb -0.15 -2.65 0.00 0.00 -0.13 0.00 0.00 32.58 29.65 1ugk s HIS 93 CO 0.08 -0.90 0.37 -0.06 -2.47 0.00 0.00 174.74 171.77 1ugk s PHE 94 N 1.14 3.20 -0.23 3.88 0.08 0.84 -3.19 117.98 123.70 1ugk s PHE 94 Ca 0.02 -0.26 -0.06 0.00 0.12 0.00 0.00 56.93 56.76 1ugk s PHE 94 Cb -0.21 -2.72 -0.02 0.00 -0.57 0.00 0.00 43.02 39.50 1ugk s PHE 94 CO -0.04 -0.55 0.03 0.99 -0.10 0.00 0.00 175.22 175.55 1ugk s THR 95 N 1.98 4.03 -0.85 0.64 2.01 -0.98 0.61 115.64 123.07 1ugk s THR 95 Ca 0.10 -0.28 -0.19 0.00 0.31 0.00 0.00 61.69 61.63 1ugk s THR 95 Cb -0.17 -2.85 0.12 0.00 0.01 0.00 0.00 72.50 69.61 1ugk s THR 95 CO 0.12 0.39 1.04 -0.63 -0.69 0.00 0.00 174.62 174.85 1ugk s ILE 96 N 1.35 4.70 0.00 1.82 1.09 0.17 -1.75 121.20 128.58 1ugk s ILE 96 Ca 0.05 -1.34 0.00 0.00 -1.10 0.00 0.00 60.65 58.26 1ugk s ILE 96 Cb -0.15 -4.72 0.00 0.00 -1.06 0.00 0.00 42.46 36.53 1ugk s ILE 96 CO 0.02 -1.44 0.00 0.18 -0.10 0.00 0.00 174.94 173.59 1ugk n LEU 97 N 6.63 0.00 -3.64 2.97 4.32 -0.93 0.18 117.00 126.53 1ugk n LEU 97 Ca 0.15 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 56.10 1ugk n LEU 97 Cb 0.48 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.21 1ugk n LEU 97 CO 0.53 -0.32 0.14 -0.55 -1.22 0.00 0.00 177.39 175.97 1ugk s SER 98 N -1.00 -0.70 0.04 -1.43 0.15 -0.07 -3.32 113.70 107.38 1ugk s SER 98 Ca 0.00 1.27 -0.21 0.00 0.70 0.00 0.00 55.95 57.71 1ugk s SER 98 Cb 0.00 1.83 -0.06 0.00 -1.71 0.00 0.00 66.02 66.08 1ugk s SER 98 CO 0.00 -0.23 0.61 0.12 1.20 0.00 0.00 173.24 174.94 1ugk s PHE 99 N 2.76 3.76 -0.40 3.44 2.19 -0.73 -3.32 117.98 125.67 1ugk s PHE 99 Ca -0.03 1.28 -0.00 0.00 0.33 0.00 0.00 56.93 58.50 1ugk s PHE 99 Cb -0.12 -2.59 0.24 0.00 -1.31 0.00 0.00 43.02 39.24 1ugk s PHE 99 CO -0.16 0.46 1.04 -0.25 1.83 0.00 0.00 175.22 178.14 1ugk n ASP 100 N 2.22 -2.05 -3.24 6.13 8.00 -1.26 -4.02 116.55 122.33 1ugk n ASP 100 Ca -0.08 -2.06 -0.08 0.00 0.71 0.00 0.00 54.79 53.27 1ugk n ASP 100 Cb 0.51 1.13 0.01 0.00 -0.02 0.00 0.00 41.12 42.75 1ugk n ASP 100 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ugk n ARG 101 N 2.09 -0.75 -3.82 -1.24 5.12 -1.26 -3.01 116.66 113.78 1ugk n ARG 101 Ca 0.09 0.99 -0.29 0.00 -1.93 0.00 0.00 57.85 56.72 1ugk n ARG 101 Cb 0.65 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.54 1ugk n ARG 101 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1ugk n PHE 102 N 0.94 -1.79 -0.05 -1.55 3.72 -1.26 -4.80 117.46 112.67 1ugk n PHE 102 Ca -0.02 0.63 0.02 0.00 -0.05 0.00 0.00 57.45 58.03 1ugk n PHE 102 Cb 0.52 -2.62 0.21 0.00 -0.94 0.00 0.00 39.48 36.65 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 -2.39 3.57 -3.79 4.37 7.64 -1.17 -4.86 113.62 116.99 1ugk n SER 103 Ca -0.27 -2.54 -0.27 0.00 1.01 0.00 0.00 58.87 56.80 1ugk n SER 103 Cb 0.64 -0.61 0.04 0.00 -1.01 0.00 0.00 64.21 63.27 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 0.27 -6.25 -2.88 1.43 5.12 -1.26 -3.73 116.66 109.36 1ugk n ARG 104 Ca 0.17 0.68 -0.02 0.00 -1.93 0.00 0.00 57.85 56.75 1ugk n ARG 104 Cb 0.80 -5.59 -0.01 0.00 -1.16 0.00 0.00 32.46 26.50 1ugk n ARG 104 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1ugk n ASP 105 N -2.92 -5.62 -4.46 0.55 8.00 -1.26 -4.81 116.55 106.03 1ugk n ASP 105 Ca -0.01 1.07 -0.44 0.00 0.71 0.00 0.00 54.79 56.13 1ugk n ASP 105 Cb 0.55 -3.65 -0.02 0.00 -0.02 0.00 0.00 41.12 37.99 1ugk n ASP 105 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1ugk s ASP 106 N -0.90 6.72 -0.00 -2.24 1.01 -1.21 -4.92 116.67 115.12 1ugk s ASP 106 Ca -0.08 -2.21 -0.30 0.00 0.71 0.00 0.00 52.55 50.67 1ugk s ASP 106 Cb 0.01 -2.41 -0.06 0.00 1.01 0.00 0.00 42.92 41.47 1ugk s ASP 106 CO 0.44 -1.03 1.42 -0.63 0.21 0.00 0.00 175.17 175.59 1ugk s ILE 107 N 2.63 3.68 -0.19 0.77 1.01 -1.26 -0.89 121.20 126.95 1ugk s ILE 107 Ca 0.36 1.06 -0.09 0.00 0.00 0.00 0.00 60.65 61.97 1ugk s ILE 107 Cb -0.04 -3.68 -0.21 0.00 0.01 0.00 0.00 42.46 38.54 1ugk s ILE 107 CO -0.07 -0.01 0.12 -0.38 0.00 0.00 0.00 174.94 174.60 1ugk n ILE 108 N 4.72 1.63 -3.49 2.92 5.41 0.48 -4.96 119.36 126.08 1ugk n ILE 108 Ca 0.13 -0.46 -0.09 0.00 1.00 0.00 0.00 62.75 63.34 1ugk n ILE 108 Cb 0.43 -1.76 -0.02 0.00 -0.71 0.00 0.00 39.64 37.58 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 -5.60 -0.50 -0.05 7.39 0.00 -1.04 -4.88 107.32 102.65 1ugk s GLY 109 Ca -0.29 0.91 0.04 0.00 0.00 0.00 0.00 44.72 45.38 1ugk s GLY 109 CO 0.66 0.30 -0.15 -0.54 0.00 0.00 0.00 173.10 173.36 1ugk s GLU 110 N -3.25 2.49 0.04 2.90 2.02 -1.24 -0.65 118.70 121.02 1ugk s GLU 110 Ca 0.04 -0.72 0.03 0.00 0.02 0.00 0.00 54.97 54.34 1ugk s GLU 110 Cb -0.01 -2.35 -0.02 0.00 0.10 0.00 0.00 34.13 31.85 1ugk s GLU 110 CO -0.10 0.60 -0.09 0.08 0.02 0.00 0.00 175.26 175.78 1ugk s VAL 111 N -0.68 0.66 -0.11 2.63 1.01 0.20 -4.45 120.40 119.66 1ugk s VAL 111 Ca 0.11 -1.05 -0.14 0.00 0.00 0.00 0.00 61.98 60.89 1ugk s VAL 111 Cb -0.11 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 35.62 1ugk s VAL 111 CO 0.01 -0.30 0.38 -0.22 0.00 0.00 0.00 175.10 174.96 1ugk s LEU 112 N -1.48 0.57 -0.30 3.92 2.96 -1.26 -0.11 118.68 122.98 1ugk s LEU 112 Ca -0.07 0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 54.40 1ugk s LEU 112 Cb -0.09 1.35 0.11 0.00 0.50 0.00 0.00 46.19 48.05 1ugk s LEU 112 CO 0.01 -0.23 0.14 -0.51 -1.32 0.00 0.00 176.35 174.44 1ugk s ILE 113 N -0.24 0.04 -0.00 6.68 1.10 -0.07 -4.99 121.20 123.72 1ugk s ILE 113 Ca -0.04 -0.98 -0.30 0.00 -0.51 0.00 0.00 60.65 58.82 1ugk s ILE 113 Cb -0.03 -1.06 -0.04 0.00 0.15 0.00 0.00 42.46 41.47 1ugk s ILE 113 CO 0.02 -0.77 1.19 -2.16 -2.11 0.00 0.00 174.94 171.11 1ugk s PRO 114 N 1.88 4.39 0.00 3.50 0.04 -1.26 -2.28 135.00 141.27 1ugk s PRO 114 Ca 0.11 1.71 0.13 0.00 0.04 0.00 0.00 61.00 62.98 1ugk s PRO 114 Cb -0.17 -3.47 0.66 0.00 0.04 0.00 0.00 34.50 31.56 1ugk s PRO 114 CO -0.30 -0.35 1.44 1.28 0.04 0.00 0.00 177.00 179.11 1ugk n LEU 115 N 4.63 0.37 -2.96 -3.56 4.77 -1.22 -4.45 117.00 114.58 1ugk n LEU 115 Ca 0.10 -0.17 -0.18 0.00 -0.03 0.00 0.00 56.01 55.73 1ugk n LEU 115 Cb 0.46 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1ugk n LEU 115 CO 0.55 0.08 2.05 -0.24 -1.33 0.00 0.00 177.39 178.51 1ugk n SER 116 N -0.45 4.38 0.00 -1.43 2.88 -0.86 -2.33 113.62 115.81 1ugk n SER 116 Ca 0.10 -2.25 0.00 0.00 -1.33 0.00 0.00 58.87 55.39 1ugk n SER 116 Cb 0.10 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 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 3.53 0.99 3.75 0.46 0.00 -1.26 -5.04 105.19 107.63 1ugk n GLY 117 Ca 0.39 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.94 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 3.00 -0.14 -0.61 -1.09 -0.98 -5.02 121.20 116.36 1ugk s ILE 118 Ca 0.00 0.90 0.02 0.00 -2.23 0.00 0.00 60.65 59.34 1ugk s ILE 118 Cb 0.00 -3.57 0.01 0.00 -1.58 0.00 0.00 42.46 37.32 1ugk s ILE 118 CO 0.00 0.17 -0.20 -1.83 -1.23 0.00 0.00 174.94 171.85 1ugk s GLU 119 N -0.84 2.80 0.00 2.79 -1.05 -1.26 -4.88 118.70 116.27 1ugk s GLU 119 Ca 0.53 -0.77 0.15 0.00 -0.15 0.00 0.00 54.97 54.73 1ugk s GLU 119 Cb -0.38 -2.31 0.08 0.00 -0.44 0.00 0.00 34.13 31.08 1ugk s GLU 119 CO 0.44 -0.05 0.91 1.28 0.95 0.00 0.00 175.26 178.79 1ugk n LEU 120 N 4.18 1.99 -0.46 1.83 4.77 -1.26 -4.54 117.00 123.51 1ugk n LEU 120 Ca -0.20 -0.92 0.39 0.00 -0.03 0.00 0.00 56.01 55.25 1ugk n LEU 120 Cb 0.51 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 42.27 1ugk n LEU 120 CO 0.26 0.37 1.22 -1.28 -1.33 0.00 0.00 177.39 176.63 1ugk h SER 121 N 2.48 0.22 0.29 -1.43 0.87 -1.98 0.57 113.55 114.57 1ugk h SER 121 Ca 0.00 0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1ugk h SER 121 Cb 0.58 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1ugk h SER 121 CO 0.00 -0.24 -0.14 -0.33 -0.53 0.00 0.00 176.83 175.59 1ugk h GLU 122 N 0.04 -0.37 0.00 2.24 5.08 -2.02 -3.50 114.58 116.04 1ugk h GLU 122 Ca 0.86 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 59.24 1ugk h GLU 122 Cb 2.71 0.08 0.00 0.00 0.50 0.00 0.00 28.75 32.04 1ugk h GLU 122 CO -0.47 -0.03 0.00 0.41 -1.00 0.00 0.00 179.01 177.93 1ugk n GLY 123 N 0.07 -0.75 3.84 -3.84 0.00 0.20 -5.14 105.19 99.57 1ugk n GLY 123 Ca -0.09 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 1ugk n GLY 123 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ugk s LYS 124 N -0.90 4.00 -0.02 1.61 2.20 -1.26 -4.58 119.74 120.79 1ugk s LYS 124 Ca 0.00 0.52 -0.01 0.00 -0.36 0.00 0.00 55.97 56.12 1ugk s LYS 124 Cb 0.00 -2.89 0.01 0.00 -1.51 0.00 0.00 37.83 33.44 1ugk s LYS 124 CO 0.00 0.45 0.04 0.00 -0.36 0.00 0.00 175.35 175.48 1ugk s MET 125 N -2.05 0.03 0.28 4.03 0.23 -1.12 -5.02 119.30 115.70 1ugk s MET 125 Ca 0.39 0.08 -0.28 0.00 -1.03 0.00 0.00 55.69 54.86 1ugk s MET 125 Cb -0.15 -0.02 -0.09 0.00 -1.53 0.00 0.00 34.83 33.04 1ugk s MET 125 CO 0.19 -0.03 0.94 -1.17 -2.03 0.00 0.00 175.02 172.92 1ugk s LEU 126 N 0.20 4.49 -0.00 0.18 1.98 -1.26 -2.67 118.68 121.60 1ugk s LEU 126 Ca -0.02 1.89 -0.03 0.00 -2.89 0.00 0.00 54.13 53.08 1ugk s LEU 126 Cb -0.02 -3.82 -0.00 0.00 0.66 0.00 0.00 46.19 43.00 1ugk s LEU 126 CO -0.01 0.04 0.06 -0.04 -1.89 0.00 0.00 176.35 174.52 1ugk s MET 127 N -1.64 0.31 -0.02 1.98 -1.94 0.26 -4.97 119.30 113.29 1ugk s MET 127 Ca 0.46 -0.32 0.01 0.00 -1.71 0.00 0.00 55.69 54.13 1ugk s MET 127 Cb -0.22 0.12 0.01 0.00 2.01 0.00 0.00 34.83 36.75 1ugk s MET 127 CO 0.28 -0.06 -0.04 0.54 -0.01 0.00 0.00 175.02 175.72 1ugk s ASN 128 N -0.99 0.68 0.08 3.03 4.22 -1.26 -0.49 114.94 120.20 1ugk s ASN 128 Ca -0.11 -0.09 0.07 0.00 -2.14 0.00 0.00 52.86 50.59 1ugk s ASN 128 Cb -0.06 -0.19 -0.03 0.00 1.28 0.00 0.00 41.25 42.24 1ugk s ASN 128 CO 0.00 0.01 -0.19 -0.13 -2.04 0.00 0.00 177.10 174.75 1ugk s ARG 129 N 0.32 1.13 0.22 3.55 1.81 0.17 -4.97 118.95 121.17 1ugk s ARG 129 Ca -0.04 -1.04 -0.14 0.00 -1.72 0.00 0.00 55.73 52.80 1ugk s ARG 129 Cb -0.07 -1.30 -0.08 0.00 -0.45 0.00 0.00 34.95 33.05 1ugk s ARG 129 CO -0.00 0.31 0.62 -1.83 -0.68 0.00 0.00 175.30 173.72 1ugk s GLU 130 N -1.62 3.99 -0.19 3.54 -1.05 -1.26 -0.12 118.70 121.99 1ugk s GLU 130 Ca 0.05 0.54 -0.08 0.00 -0.15 0.00 0.00 54.97 55.34 1ugk s GLU 130 Cb -0.09 -2.74 -0.04 0.00 -0.44 0.00 0.00 34.13 30.81 1ugk s GLU 130 CO 0.03 0.35 0.07 0.42 0.95 0.00 0.00 175.26 177.09 1ugk s ILE 131 N -1.68 4.80 0.06 1.83 1.01 0.00 -4.90 121.20 122.33 1ugk s ILE 131 Ca 0.45 -0.02 0.01 0.00 0.00 0.00 0.00 60.65 61.08 1ugk s ILE 131 Cb -0.13 -3.18 -0.00 0.00 0.01 0.00 0.00 42.46 39.16 1ugk s ILE 131 CO 0.20 0.44 0.06 2.30 0.00 0.00 0.00 174.94 177.94 1ugk n ILE 132 N 3.72 0.00 -2.37 2.92 -6.64 -1.26 -3.86 119.36 111.87 1ugk n ILE 132 Ca -0.16 -0.40 -0.43 0.00 -1.77 0.00 0.00 62.75 59.99 1ugk n ILE 132 Cb 0.52 0.21 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 -2.52 4.83 -0.98 7.28 2.88 -1.26 -3.63 113.62 120.22 1ugk n SER 133 Ca 0.01 -3.00 0.02 0.00 -1.33 0.00 0.00 58.87 54.57 1ugk n SER 133 Cb 0.11 -1.57 -0.01 0.00 -0.75 0.00 0.00 64.21 61.98 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 3.71 -3.52 2.53 0.46 0.00 -1.26 -4.38 105.19 102.73 1ugk n GLY 134 Ca 0.43 -1.05 -0.30 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 -2.45 2.72 -3.47 1.61 -0.04 -1.26 -4.65 135.00 127.46 1ugk n PRO 135 Ca -0.01 -1.81 0.01 0.00 -0.04 0.00 0.00 63.50 61.64 1ugk n PRO 135 Cb 0.33 -2.65 -0.05 0.00 -0.04 0.00 0.00 33.50 31.10 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 3.00 -0.44 -0.15 3.54 0.15 -1.26 -5.18 113.70 113.36 1ugk s SER 136 Ca 0.52 0.64 -0.30 0.00 0.70 0.00 0.00 55.95 57.52 1ugk s SER 136 Cb 0.14 1.40 0.13 0.00 -1.71 0.00 0.00 66.02 65.97 1ugk s SER 136 CO -0.04 -0.09 1.01 -0.55 1.20 0.00 0.00 173.24 174.77 1ugk s SER 137 N 1.95 -0.34 0.00 5.45 0.15 -1.26 -4.94 113.70 114.71 1ugk s SER 137 Ca -0.05 0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1ugk s SER 137 Cb -0.04 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1ugk s SER 137 CO -0.16 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.53