#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugk n SER 2 N 0.00 -8.65 -3.64 1.61 2.88 -1.26 -5.08 113.62 99.48 1ugk n SER 2 Ca 0.00 1.22 -0.04 0.00 -1.33 0.00 0.00 58.87 58.72 1ugk n SER 2 Cb 0.00 -4.48 -0.07 0.00 -0.75 0.00 0.00 64.21 58.91 1ugk n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ugk s SER 3 N -1.66 -0.64 0.00 -3.46 0.01 -1.26 -5.16 113.70 101.52 1ugk s SER 3 Ca 0.00 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.29 1ugk s SER 3 Cb 0.00 1.26 0.00 0.00 0.21 0.00 0.00 66.02 67.49 1ugk s SER 3 CO 0.00 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.10 1ugk n GLY 4 N 3.89 3.01 3.43 3.44 0.00 -1.26 -5.04 105.19 112.66 1ugk n GLY 4 Ca -0.19 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 1ugk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ugk s SER 5 N 0.00 5.70 -0.20 1.61 1.04 -1.26 -5.03 113.70 115.56 1ugk s SER 5 Ca 0.00 -0.69 -0.30 0.00 0.48 0.00 0.00 55.95 55.43 1ugk s SER 5 Cb 0.00 -2.03 0.15 0.00 0.10 0.00 0.00 66.02 64.24 1ugk s SER 5 CO 0.00 -0.28 1.15 -0.94 0.98 0.00 0.00 173.24 174.16 1ugk s SER 6 N 1.61 -0.21 -0.24 7.02 1.04 -1.26 -5.15 113.70 116.51 1ugk s SER 6 Ca 0.04 0.19 -0.07 0.00 0.48 0.00 0.00 55.95 56.59 1ugk s SER 6 Cb -0.18 0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 1ugk s SER 6 CO 0.07 -0.23 0.08 -0.83 0.98 0.00 0.00 173.24 173.31 1ugk s GLY 7 N -1.30 1.79 0.00 7.32 0.00 -1.26 -4.88 107.32 108.98 1ugk s GLY 7 Ca 0.04 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1ugk s GLY 7 CO -0.03 0.48 0.85 1.04 0.00 0.00 0.00 173.10 175.44 1ugk n LEU 8 N 4.77 0.00 0.00 0.66 7.99 -0.74 -4.97 117.00 124.71 1ugk n LEU 8 Ca -0.16 0.85 0.00 0.00 -0.01 0.00 0.00 56.01 56.69 1ugk n LEU 8 Cb 0.52 -0.35 0.00 0.00 -0.11 0.00 0.00 43.42 43.48 1ugk n LEU 8 CO 0.31 -0.35 0.00 0.61 -1.51 0.00 0.00 177.39 176.46 1ugk n GLY 9 N -0.94 1.32 3.64 -0.72 0.00 -1.12 -4.37 105.19 102.99 1ugk n GLY 9 Ca 0.00 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 1ugk n GLY 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ugk s THR 10 N -2.38 2.06 -0.04 2.61 2.01 -0.76 0.14 115.64 119.28 1ugk s THR 10 Ca 0.00 -1.94 -0.02 0.00 0.31 0.00 0.00 61.69 60.04 1ugk s THR 10 Cb 0.00 -3.00 0.03 0.00 0.01 0.00 0.00 72.50 69.54 1ugk s THR 10 CO 0.00 0.00 0.08 -0.22 -0.69 0.00 0.00 174.62 173.79 1ugk s LEU 11 N -3.75 0.57 -0.08 4.42 1.98 0.15 -3.44 118.68 118.53 1ugk s LEU 11 Ca 0.36 0.14 -0.01 0.00 -2.89 0.00 0.00 54.13 51.73 1ugk s LEU 11 Cb 0.09 0.04 -0.03 0.00 0.66 0.00 0.00 46.19 46.94 1ugk s LEU 11 CO 0.19 -0.18 -0.02 -0.36 -1.89 0.00 0.00 176.35 174.09 1ugk s PHE 12 N 1.59 3.11 0.19 5.38 0.08 -0.91 -0.51 117.98 126.91 1ugk s PHE 12 Ca -0.03 0.14 -0.24 0.00 0.12 0.00 0.00 56.93 56.92 1ugk s PHE 12 Cb -0.12 -1.78 0.05 0.00 -0.57 0.00 0.00 43.02 40.60 1ugk s PHE 12 CO -0.04 0.42 0.91 -0.59 -0.10 0.00 0.00 175.22 175.82 1ugk s PHE 13 N -0.81 -0.13 -0.14 0.36 -0.71 -0.47 -1.54 117.98 114.56 1ugk s PHE 13 Ca 0.12 -0.23 -0.05 0.00 -1.04 0.00 0.00 56.93 55.74 1ugk s PHE 13 Cb -0.11 0.66 0.07 0.00 -1.21 0.00 0.00 43.02 42.42 1ugk s PHE 13 CO 0.02 -0.94 0.28 -1.54 -1.34 0.00 0.00 175.22 171.71 1ugk s SER 14 N -2.96 0.21 0.48 1.98 1.04 -0.56 -0.39 113.70 113.50 1ugk s SER 14 Ca 0.13 0.64 -0.19 0.00 0.48 0.00 0.00 55.95 57.01 1ugk s SER 14 Cb -0.02 0.75 -0.09 0.00 0.10 0.00 0.00 66.02 66.75 1ugk s SER 14 CO 0.04 -0.23 0.97 -0.76 0.98 0.00 0.00 173.24 174.24 1ugk s LEU 15 N 2.32 3.78 -0.28 2.42 2.01 -1.11 -2.13 118.68 125.69 1ugk s LEU 15 Ca -0.00 1.64 -0.23 0.00 0.01 0.00 0.00 54.13 55.55 1ugk s LEU 15 Cb -0.12 -4.53 0.09 0.00 0.01 0.00 0.00 46.19 41.64 1ugk s LEU 15 CO -0.09 -0.49 0.80 -0.70 1.01 0.00 0.00 176.35 176.87 1ugk s GLU 16 N -3.63 0.71 -0.11 1.70 2.12 0.43 -3.31 118.70 116.62 1ugk s GLU 16 Ca 0.61 0.94 0.02 0.00 0.36 0.00 0.00 54.97 56.89 1ugk s GLU 16 Cb -0.10 0.30 -0.01 0.00 0.26 0.00 0.00 34.13 34.58 1ugk s GLU 16 CO 0.22 -0.10 -0.16 -0.47 -0.54 0.00 0.00 175.26 174.21 1ugk s TYR 17 N 0.65 2.72 -1.12 5.30 5.04 -1.26 0.19 117.35 128.87 1ugk s TYR 17 Ca -0.02 -0.67 -0.21 0.00 -2.44 0.00 0.00 57.07 53.73 1ugk s TYR 17 Cb -0.05 -1.78 0.06 0.00 0.35 0.00 0.00 41.96 40.54 1ugk s TYR 17 CO -0.06 -0.21 1.56 1.21 -1.34 0.00 0.00 175.55 176.72 1ugk s ASN 18 N 0.19 6.62 0.19 4.32 2.47 0.52 -4.79 114.94 124.45 1ugk s ASN 18 Ca -0.09 -1.82 -0.11 0.00 0.42 0.00 0.00 52.86 51.25 1ugk s ASN 18 Cb -0.16 -2.57 0.10 0.00 -1.45 0.00 0.00 41.25 37.17 1ugk s ASN 18 CO 0.06 -1.39 1.79 -0.26 -3.72 0.00 0.00 177.10 173.58 1ugk h PHE 19 N 8.98 0.90 -0.77 0.43 -1.00 -1.93 1.99 116.94 125.54 1ugk h PHE 19 Ca 0.29 -0.03 0.18 0.00 2.81 0.00 0.00 57.97 61.22 1ugk h PHE 19 Cb 0.96 -0.29 -0.13 0.00 3.61 0.00 0.00 35.95 40.10 1ugk h PHE 19 CO 1.34 0.66 0.02 1.49 -1.61 0.00 0.00 178.31 180.20 1ugk h GLU 20 N 0.89 0.11 -0.16 1.51 4.57 -1.95 0.29 114.58 119.83 1ugk h GLU 20 Ca 0.23 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.35 1ugk h GLU 20 Cb 0.06 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 1ugk h GLU 20 CO -0.03 0.07 -0.13 0.54 -1.18 0.00 0.00 179.01 178.28 1ugk n ARG 21 N -5.34 1.88 -3.70 1.92 1.74 -1.02 -4.99 116.66 107.15 1ugk n ARG 21 Ca 0.14 -2.97 -0.26 0.00 -0.77 0.00 0.00 57.85 54.00 1ugk n ARG 21 Cb 0.49 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 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 -1.07 -1.03 -4.40 5.56 4.01 0.54 -4.91 118.16 116.86 1ugk n LYS 22 Ca 0.23 0.43 -0.20 0.00 -0.51 0.00 0.00 58.31 58.26 1ugk n LYS 22 Cb 0.82 -1.82 -0.10 0.00 -0.51 0.00 0.00 35.03 33.43 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 -3.07 2.21 0.10 7.82 0.00 0.55 -4.35 121.76 125.02 1ugk s ALA 23 Ca 0.11 -1.79 0.06 0.00 0.00 0.00 0.00 51.96 50.34 1ugk s ALA 23 Cb -0.06 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 1ugk s ALA 23 CO 0.76 -0.39 -0.04 0.12 0.00 0.00 0.00 175.76 176.21 1ugk s PHE 24 N -3.47 2.88 -0.07 0.00 5.36 0.20 0.20 117.98 123.08 1ugk s PHE 24 Ca 0.34 -0.08 -0.03 0.00 -0.96 0.00 0.00 56.93 56.20 1ugk s PHE 24 Cb 0.07 -1.49 0.04 0.00 -0.34 0.00 0.00 43.02 41.30 1ugk s PHE 24 CO 0.15 0.46 0.15 0.08 -1.46 0.00 0.00 175.22 174.60 1ugk s VAL 25 N -1.31 -0.13 -0.50 3.12 1.01 0.50 -0.61 120.40 122.49 1ugk s VAL 25 Ca 0.24 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.51 1ugk s VAL 25 Cb -0.11 -0.26 0.13 0.00 0.00 0.00 0.00 36.38 36.14 1ugk s VAL 25 CO 0.17 0.10 0.25 -0.69 0.00 0.00 0.00 175.10 174.93 1ugk s VAL 26 N 1.59 2.40 -0.17 2.92 1.01 -1.00 -0.43 120.40 126.73 1ugk s VAL 26 Ca -0.05 -3.19 -0.29 0.00 0.00 0.00 0.00 61.98 58.45 1ugk s VAL 26 Cb -0.12 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 1ugk s VAL 26 CO -0.06 -0.81 1.22 0.21 0.00 0.00 0.00 175.10 175.66 1ugk s ASN 27 N -0.17 6.98 -0.49 3.32 3.84 -0.90 -3.54 114.94 123.98 1ugk s ASN 27 Ca 0.17 1.64 -0.14 0.00 0.21 0.00 0.00 52.86 54.74 1ugk s ASN 27 Cb -0.26 -2.54 0.10 0.00 -0.55 0.00 0.00 41.25 38.01 1ugk s ASN 27 CO -0.00 -0.74 0.40 -0.63 -2.79 0.00 0.00 177.10 173.34 1ugk s ILE 28 N 3.40 4.92 0.00 -5.21 1.01 -0.66 -1.50 121.20 123.16 1ugk s ILE 28 Ca 0.53 -1.37 0.00 0.00 0.00 0.00 0.00 60.65 59.80 1ugk s ILE 28 Cb -0.21 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.20 1ugk s ILE 28 CO 0.13 -0.70 0.00 1.17 0.00 0.00 0.00 174.94 175.55 1ugk n LYS 29 N 5.13 2.70 -4.19 2.79 3.00 -0.59 -0.74 118.16 126.26 1ugk n LYS 29 Ca -0.12 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 57.94 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 2.19 -0.10 1.64 -1.05 -1.24 -2.00 118.70 118.15 1ugk s GLU 30 Ca 0.00 -1.89 0.04 0.00 -0.15 0.00 0.00 54.97 52.97 1ugk s GLU 30 Cb 0.00 -1.94 0.00 0.00 -0.44 0.00 0.00 34.13 31.75 1ugk s GLU 30 CO 0.00 -0.12 -0.23 0.00 0.95 0.00 0.00 175.26 175.86 1ugk s ALA 31 N -2.62 2.12 -0.07 -0.84 0.00 -0.91 -2.14 121.76 117.30 1ugk s ALA 31 Ca 0.40 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.46 1ugk s ALA 31 Cb 0.04 -0.80 -0.00 0.00 0.00 0.00 0.00 23.12 22.36 1ugk s ALA 31 CO 0.22 0.27 -0.21 1.03 0.00 0.00 0.00 175.76 177.07 1ugk s ARG 32 N 0.37 2.45 0.00 0.00 0.52 -1.22 -3.78 118.95 117.28 1ugk s ARG 32 Ca -0.18 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.27 1ugk s ARG 32 Cb -0.18 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.32 1ugk s ARG 32 CO 0.08 0.22 0.00 0.41 0.02 0.00 0.00 175.30 176.04 1ugk n GLY 33 N 3.34 0.79 3.61 -3.53 0.00 -1.26 -1.83 105.19 106.31 1ugk n GLY 33 Ca -0.19 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.10 4.05 0.13 0.99 1.02 -1.24 -2.81 118.68 120.72 1ugk s LEU 34 Ca 0.00 0.10 -0.30 0.00 0.02 0.00 0.00 54.13 53.94 1ugk s LEU 34 Cb 0.00 -2.19 -0.07 0.00 0.02 0.00 0.00 46.19 43.96 1ugk s LEU 34 CO 0.00 -0.05 1.14 -2.16 0.02 0.00 0.00 176.35 175.30 1ugk s PRO 35 N 1.62 4.52 0.55 1.29 0.04 -1.26 -4.87 135.00 136.89 1ugk s PRO 35 Ca 0.09 1.74 -0.20 0.00 0.04 0.00 0.00 61.00 62.66 1ugk s PRO 35 Cb -0.15 -3.31 -0.06 0.00 0.04 0.00 0.00 34.50 31.02 1ugk s PRO 35 CO 0.09 -0.07 1.02 0.00 0.04 0.00 0.00 177.00 178.08 1ugk n ALA 36 N 3.04 0.36 -0.07 8.56 0.00 -1.26 -4.93 120.51 126.22 1ugk n ALA 36 Ca 0.05 0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.54 1ugk n ALA 36 Cb 0.46 -2.13 -0.15 0.00 0.00 0.00 0.00 19.45 17.63 1ugk n ALA 36 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ugk n MET 37 N -0.72 0.79 -3.23 0.00 2.81 -1.26 -4.99 117.12 110.53 1ugk n MET 37 Ca 0.12 -0.07 -0.21 0.00 -1.81 0.00 0.00 57.70 55.73 1ugk n MET 37 Cb 0.45 -1.49 0.05 0.00 -0.71 0.00 0.00 33.22 31.52 1ugk n MET 37 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1ugk n ASP 38 N -2.54 2.30 0.00 7.83 2.03 -1.26 -5.07 116.55 119.83 1ugk n ASP 38 Ca -0.22 -2.63 0.00 0.00 0.52 0.00 0.00 54.79 52.46 1ugk n ASP 38 Cb 0.93 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 1ugk n ASP 38 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ugk n GLU 39 N -2.09 0.00 -0.33 -0.67 -0.58 -1.26 -4.74 120.64 110.97 1ugk n GLU 39 Ca 0.10 0.00 0.23 0.00 -0.42 0.00 0.00 57.16 57.08 1ugk n GLU 39 Cb 0.60 -0.68 0.44 0.00 -0.57 0.00 0.00 31.44 31.23 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 -2.65 -0.07 -4.11 3.49 6.02 -1.26 -4.27 117.38 114.53 1ugk n GLN 40 Ca 0.00 1.44 -0.16 0.00 -0.01 0.00 0.00 57.00 58.27 1ugk n GLN 40 Cb 0.43 -2.43 -0.15 0.00 1.02 0.00 0.00 30.24 29.12 1ugk n GLN 40 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1ugk s SER 41 N -4.77 0.54 -1.36 1.08 0.01 -1.26 -5.05 113.70 102.89 1ugk s SER 41 Ca -0.11 -0.08 -0.14 0.00 1.31 0.00 0.00 55.95 56.94 1ugk s SER 41 Cb 0.32 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.43 1ugk s SER 41 CO 0.78 0.04 2.36 0.80 0.41 0.00 0.00 173.24 177.62 1ugk n MET 42 N 3.12 2.81 -3.59 12.44 1.56 -1.26 -4.63 117.12 127.56 1ugk n MET 42 Ca -0.15 -2.31 -0.06 0.00 -0.27 0.00 0.00 57.70 54.92 1ugk n MET 42 Cb 0.57 -3.05 -0.04 0.00 2.15 0.00 0.00 33.22 32.85 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 3.23 0.00 0.32 1.12 -1.32 -1.26 -4.84 115.64 112.88 1ugk s THR 43 Ca 0.54 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.96 1ugk s THR 43 Cb 0.15 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 1ugk s THR 43 CO -0.05 0.00 0.49 -0.94 -2.21 0.00 0.00 174.62 171.91 1ugk s SER 44 N -1.53 0.56 -0.66 8.08 1.04 -1.26 -4.58 113.70 115.35 1ugk s SER 44 Ca 0.05 -1.32 0.06 0.00 0.48 0.00 0.00 55.95 55.22 1ugk s SER 44 Cb -0.01 0.65 0.24 0.00 0.10 0.00 0.00 66.02 67.00 1ugk s SER 44 CO -0.04 -1.27 0.73 -0.90 0.98 0.00 0.00 173.24 172.73 1ugk n ASP 45 N -1.11 3.72 -4.81 7.02 5.75 -1.26 -0.47 116.55 125.40 1ugk n ASP 45 Ca -0.00 -3.41 -0.30 0.00 -0.01 0.00 0.00 54.79 51.06 1ugk n ASP 45 Cb 0.62 -0.70 0.08 0.00 -1.03 0.00 0.00 41.12 40.09 1ugk n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1ugk s PRO 46 N -2.34 2.32 -0.24 0.11 0.04 -1.20 -3.27 135.00 130.41 1ugk s PRO 46 Ca 0.38 0.73 -0.22 0.00 0.04 0.00 0.00 61.00 61.93 1ugk s PRO 46 Cb 0.12 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.78 1ugk s PRO 46 CO -0.03 -1.48 0.64 1.52 0.04 0.00 0.00 177.00 177.69 1ugk s TYR 47 N -3.13 -0.72 0.01 0.56 -0.85 -0.13 -4.21 117.35 108.87 1ugk s TYR 47 Ca 0.60 1.73 -0.17 0.00 -0.52 0.00 0.00 57.07 58.71 1ugk s TYR 47 Cb -0.14 0.26 -0.06 0.00 0.38 0.00 0.00 41.96 42.40 1ugk s TYR 47 CO 0.54 -0.35 0.47 0.42 -1.52 0.00 0.00 175.55 175.12 1ugk s ILE 48 N 0.43 4.95 -0.21 -3.49 1.01 -1.26 -2.92 121.20 119.72 1ugk s ILE 48 Ca -0.01 0.98 -0.06 0.00 0.00 0.00 0.00 60.65 61.56 1ugk s ILE 48 Cb -0.05 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 1ugk s ILE 48 CO -0.01 0.54 0.04 -0.54 0.00 0.00 0.00 174.94 174.97 1ugk s LYS 49 N -0.86 3.73 0.06 2.79 1.02 -0.97 -3.14 119.74 122.38 1ugk s LYS 49 Ca 0.26 -0.46 -0.08 0.00 0.02 0.00 0.00 55.97 55.72 1ugk s LYS 49 Cb -0.17 -3.20 -0.05 0.00 -0.52 0.00 0.00 37.83 33.88 1ugk s LYS 49 CO 0.15 0.02 0.34 1.41 -0.92 0.00 0.00 175.35 176.35 1ugk s MET 50 N 1.02 3.66 -0.21 1.68 1.75 0.72 -2.20 119.30 125.72 1ugk s MET 50 Ca 0.03 0.02 -0.19 0.00 -1.25 0.00 0.00 55.69 54.30 1ugk s MET 50 Cb -0.14 -3.01 0.06 0.00 2.84 0.00 0.00 34.83 34.58 1ugk s MET 50 CO 0.03 0.58 0.57 0.99 -0.65 0.00 0.00 175.02 176.53 1ugk s THR 51 N -1.40 -0.00 -0.91 10.11 2.01 -1.19 -2.54 115.64 121.72 1ugk s THR 51 Ca 0.32 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 62.16 1ugk s THR 51 Cb -0.13 -0.79 0.18 0.00 0.01 0.00 0.00 72.50 71.76 1ugk s THR 51 CO 0.19 0.00 0.99 -0.63 -0.69 0.00 0.00 174.62 174.48 1ugk s ILE 52 N 0.42 5.16 0.48 1.82 1.01 -1.18 -1.66 121.20 127.26 1ugk s ILE 52 Ca -0.01 -2.07 -0.11 0.00 0.00 0.00 0.00 60.65 58.46 1ugk s ILE 52 Cb -0.04 -4.65 -0.06 0.00 0.01 0.00 0.00 42.46 37.72 1ugk s ILE 52 CO -0.01 -1.30 0.87 -0.76 0.00 0.00 0.00 174.94 173.74 1ugk s LEU 53 N 1.44 3.64 0.35 2.97 2.01 0.22 0.16 118.68 129.47 1ugk s LEU 53 Ca 0.27 1.25 0.19 0.00 0.01 0.00 0.00 54.13 55.85 1ugk s LEU 53 Cb -0.07 -4.19 0.51 0.00 0.01 0.00 0.00 46.19 42.44 1ugk s LEU 53 CO -0.09 -0.56 1.65 1.55 1.01 0.00 0.00 176.35 179.91 1ugk h PRO 54 N 0.72 0.00 0.00 1.29 0.13 -1.83 0.76 132.00 133.07 1ugk h PRO 54 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ugk h PRO 54 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ugk h PRO 54 CO 0.63 0.39 0.00 0.39 -0.23 0.00 0.00 178.00 179.17 1ugk n GLU 55 N -3.39 0.00 -0.93 0.86 4.71 -0.98 -4.73 120.64 116.19 1ugk n GLU 55 Ca 0.01 0.14 0.00 0.00 -0.01 0.00 0.00 57.16 57.29 1ugk n GLU 55 Cb 0.58 -0.21 0.00 0.00 -1.01 0.00 0.00 31.44 30.79 1ugk n GLU 55 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1ugk n LYS 56 N -1.85 0.00 0.00 3.49 4.81 0.41 -4.97 118.16 120.06 1ugk n LYS 56 Ca 0.00 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 1ugk n LYS 56 Cb 0.00 -3.29 0.00 0.00 0.02 0.00 0.00 35.03 31.76 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 -2.93 0.00 -1.53 1.64 4.76 -1.26 -4.67 118.16 114.17 1ugk n LYS 57 Ca 0.00 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.06 1ugk n LYS 57 Cb 0.00 -0.48 -0.07 0.00 -1.84 0.00 0.00 35.03 32.64 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 -0.48 1.11 -3.90 2.13 8.25 -1.26 -4.88 115.22 116.19 1ugk n HIS 58 Ca 0.00 0.21 -0.35 0.00 -0.26 0.00 0.00 57.72 57.32 1ugk n HIS 58 Cb 0.00 -2.54 -0.14 0.00 1.12 0.00 0.00 29.99 28.43 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 8.55 3.02 0.10 -0.41 1.02 -1.26 -3.09 119.74 127.67 1ugk s LYS 59 Ca 1.12 -0.87 0.04 0.00 0.02 0.00 0.00 55.97 56.28 1ugk s LYS 59 Cb -0.56 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 33.63 1ugk s LYS 59 CO 0.34 -0.36 -0.10 0.14 -0.92 0.00 0.00 175.35 174.45 1ugk s VAL 60 N 1.40 0.98 0.01 3.17 -7.23 -1.05 -5.03 120.40 112.64 1ugk s VAL 60 Ca 0.02 -1.68 -0.01 0.00 -1.81 0.00 0.00 61.98 58.50 1ugk s VAL 60 Cb -0.16 -1.41 -0.01 0.00 0.56 0.00 0.00 36.38 35.36 1ugk s VAL 60 CO -0.03 -0.57 0.01 -1.59 -0.31 0.00 0.00 175.10 172.61 1ugk s LYS 61 N -2.87 0.18 0.75 4.82 -2.85 -1.26 -0.20 119.74 118.30 1ugk s LYS 61 Ca 0.07 -0.28 -0.03 0.00 -1.00 0.00 0.00 55.97 54.73 1ugk s LYS 61 Cb -0.02 0.07 0.13 0.00 -2.06 0.00 0.00 37.83 35.94 1ugk s LYS 61 CO 0.00 -0.03 1.03 0.95 0.10 0.00 0.00 175.35 177.40 1ugk s THR 62 N -0.71 2.12 0.39 3.79 -4.23 -1.19 -5.01 115.64 110.81 1ugk s THR 62 Ca -0.08 -0.52 -0.27 0.00 -1.18 0.00 0.00 61.69 59.65 1ugk s THR 62 Cb -0.05 -2.61 -0.09 0.00 1.34 0.00 0.00 72.50 71.09 1ugk s THR 62 CO -0.00 0.00 1.35 -0.13 -0.54 0.00 0.00 174.62 175.30 1ugk s ARG 63 N -5.23 4.02 0.24 3.99 0.52 -1.26 -4.74 118.95 116.49 1ugk s ARG 63 Ca 0.67 2.27 0.22 0.00 -0.52 0.00 0.00 55.73 58.37 1ugk s ARG 63 Cb -0.05 -2.83 0.06 0.00 0.52 0.00 0.00 34.95 32.64 1ugk s ARG 63 CO 0.45 -0.49 1.14 -0.39 0.02 0.00 0.00 175.30 176.03 1ugk h VAL 64 N 2.63 0.02 -3.74 3.52 -1.51 -1.87 -3.44 116.25 111.85 1ugk h VAL 64 Ca -0.50 -1.04 0.04 0.00 -1.23 0.00 0.00 66.70 63.97 1ugk h VAL 64 Cb 1.24 1.61 -0.02 0.00 -2.13 0.00 0.00 31.29 31.99 1ugk h VAL 64 CO 0.63 0.01 -1.00 0.18 -1.23 0.00 0.00 177.57 176.17 1ugk n LEU 65 N -2.77 -1.58 -4.73 4.19 4.77 -1.26 -3.26 117.00 112.36 1ugk n LEU 65 Ca 0.00 2.77 -0.35 0.00 -0.03 0.00 0.00 56.01 58.40 1ugk n LEU 65 Cb 0.56 -3.18 -0.08 0.00 -2.33 0.00 0.00 43.42 38.38 1ugk n LEU 65 CO 0.39 -0.97 -0.22 -0.13 -1.33 0.00 0.00 177.39 175.12 1ugk s ARG 66 N -5.28 3.70 -0.04 3.23 1.81 -1.26 -4.24 118.95 116.86 1ugk s ARG 66 Ca 0.00 -0.27 -0.00 0.00 -1.72 0.00 0.00 55.73 53.74 1ugk s ARG 66 Cb 0.00 -3.18 0.00 0.00 -0.45 0.00 0.00 34.95 31.33 1ugk s ARG 66 CO 0.00 0.50 0.01 1.63 -0.68 0.00 0.00 175.30 176.76 1ugk n LYS 67 N 2.84 -0.98 -3.22 3.54 5.02 -1.24 -4.96 118.16 119.16 1ugk n LYS 67 Ca -0.18 1.18 0.04 0.00 -2.02 0.00 0.00 58.31 57.33 1ugk n LYS 67 Cb 0.53 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 1ugk n LYS 67 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1ugk s THR 68 N -0.87 -0.34 -0.30 -0.18 -1.32 0.39 -4.87 115.64 108.15 1ugk s THR 68 Ca -0.01 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.71 1ugk s THR 68 Cb 0.00 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.30 1ugk s THR 68 CO 0.12 0.00 1.66 -0.07 -2.21 0.00 0.00 174.62 174.12 1ugk h LEU 69 N 7.73 0.00 -6.64 9.08 3.38 -1.89 -3.37 115.31 123.60 1ugk h LEU 69 Ca -0.14 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.23 1ugk h LEU 69 Cb 1.15 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.50 1ugk h LEU 69 CO -0.02 0.07 -0.79 -0.90 0.09 0.00 0.00 178.44 176.88 1ugk n ASP 70 N -3.13 1.26 -4.77 -0.43 5.75 -1.26 -3.68 116.55 110.29 1ugk n ASP 70 Ca 0.03 -2.80 -0.38 0.00 -0.01 0.00 0.00 54.79 51.63 1ugk n ASP 70 Cb 0.51 -0.65 -0.04 0.00 -1.03 0.00 0.00 41.12 39.91 1ugk n ASP 70 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1ugk s PRO 71 N -0.80 4.37 -0.38 0.11 0.04 -1.25 -4.90 135.00 132.21 1ugk s PRO 71 Ca 0.30 1.63 0.02 0.00 0.04 0.00 0.00 61.00 62.98 1ugk s PRO 71 Cb 0.02 -2.82 0.11 0.00 0.04 0.00 0.00 34.50 31.85 1ugk s PRO 71 CO -0.17 0.02 0.14 0.00 0.04 0.00 0.00 177.00 177.02 1ugk s ALA 72 N -1.45 2.29 -0.07 8.56 0.00 -1.26 -2.13 121.76 127.71 1ugk s ALA 72 Ca 0.52 -2.34 -0.20 0.00 0.00 0.00 0.00 51.96 49.94 1ugk s ALA 72 Cb -0.26 -1.85 -0.30 0.00 0.00 0.00 0.00 23.12 20.71 1ugk s ALA 72 CO 0.33 -1.81 0.78 0.74 0.00 0.00 0.00 175.76 175.80 1ugk h PHE 73 N 7.43 0.52 -7.08 0.00 0.04 -1.80 -3.48 116.94 112.57 1ugk h PHE 73 Ca -0.07 -0.38 -0.61 0.00 2.80 0.00 0.00 57.97 59.71 1ugk h PHE 73 Cb 0.98 -0.02 -0.26 0.00 2.20 0.00 0.00 35.95 38.85 1ugk h PHE 73 CO 0.44 1.40 -0.94 -3.47 -0.60 0.00 0.00 178.31 175.13 1ugk n ASP 74 N -4.05 -0.18 -3.59 2.17 -0.08 0.08 -4.90 116.55 106.00 1ugk n ASP 74 Ca -0.18 -1.25 -0.16 0.00 -1.51 0.00 0.00 54.79 51.69 1ugk n ASP 74 Cb 0.85 -1.72 0.09 0.00 2.34 0.00 0.00 41.12 42.69 1ugk n ASP 74 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1ugk n GLU 75 N -4.40 -0.12 -3.65 -0.67 -0.58 -0.64 -4.84 120.64 105.74 1ugk n GLU 75 Ca -0.17 -1.70 -0.06 0.00 -0.42 0.00 0.00 57.16 54.81 1ugk n GLU 75 Cb 0.61 -0.56 -0.07 0.00 -0.57 0.00 0.00 31.44 30.85 1ugk n GLU 75 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1ugk s THR 76 N -2.22 -0.32 -0.17 2.62 2.01 -1.26 -1.65 115.64 114.65 1ugk s THR 76 Ca 0.46 0.03 -0.01 0.00 0.31 0.00 0.00 61.69 62.48 1ugk s THR 76 Cb -0.02 -0.92 -0.00 0.00 0.01 0.00 0.00 72.50 71.57 1ugk s THR 76 CO 0.31 0.01 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.76 1ugk s PHE 77 N 2.01 2.83 0.01 4.92 0.08 -1.23 -4.97 117.98 121.64 1ugk s PHE 77 Ca -0.08 -1.01 -0.04 0.00 0.12 0.00 0.00 56.93 55.92 1ugk s PHE 77 Cb -0.08 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 1ugk s PHE 77 CO -0.18 -0.48 0.23 0.99 -0.10 0.00 0.00 175.22 175.67 1ugk s THR 78 N 0.95 5.37 -0.06 0.64 2.01 -1.26 -2.36 115.64 120.93 1ugk s THR 78 Ca -0.02 -0.06 -0.05 0.00 0.31 0.00 0.00 61.69 61.87 1ugk s THR 78 Cb -0.15 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 68.82 1ugk s THR 78 CO -0.01 0.30 0.15 -0.36 -0.69 0.00 0.00 174.62 174.01 1ugk s PHE 79 N -1.36 -0.17 -0.03 4.92 0.08 0.22 -4.95 117.98 116.69 1ugk s PHE 79 Ca 0.29 0.43 0.07 0.00 0.12 0.00 0.00 56.93 57.85 1ugk s PHE 79 Cb -0.13 0.03 -0.02 0.00 -0.57 0.00 0.00 43.02 42.33 1ugk s PHE 79 CO 0.19 -0.10 -0.25 0.71 -0.10 0.00 0.00 175.22 175.67 1ugk s TYR 80 N 0.35 2.37 0.00 0.36 2.02 -1.26 0.60 117.35 121.80 1ugk s TYR 80 Ca -0.02 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.24 1ugk s TYR 80 Cb -0.04 -1.52 0.00 0.00 -0.40 0.00 0.00 41.96 40.00 1ugk s TYR 80 CO -0.01 -0.04 0.00 0.41 -1.57 0.00 0.00 175.55 174.34 1ugk n GLY 81 N 2.47 1.73 3.67 0.71 0.00 -1.26 -5.04 105.19 107.48 1ugk n GLY 81 Ca -0.16 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 -1.26 3.84 -1.51 -0.61 1.09 -1.26 -4.86 121.20 116.63 1ugk s ILE 82 Ca 0.00 1.11 0.00 0.00 -1.10 0.00 0.00 60.65 60.66 1ugk s ILE 82 Cb 0.00 -3.72 0.00 0.00 -1.06 0.00 0.00 42.46 37.68 1ugk s ILE 82 CO 0.00 -0.06 0.56 -0.81 -0.10 0.00 0.00 174.94 174.54 1ugk n PRO 83 N 6.25 0.75 0.00 2.79 -0.04 -1.26 -4.75 135.00 138.74 1ugk n PRO 83 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1ugk n PRO 83 Cb 0.44 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 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 -0.19 0.00 0.29 0.54 9.36 -1.26 -4.23 117.16 121.67 1ugk n TYR 84 Ca 0.00 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.36 1ugk n TYR 84 Cb 0.09 0.00 0.73 0.00 -0.63 0.00 0.00 39.34 39.53 1ugk n TYR 84 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 1ugk h THR 85 N 0.00 0.00 0.00 2.97 1.35 -2.02 1.43 112.91 116.64 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 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.01 1ugk h THR 85 CO 0.00 0.00 -0.30 -0.61 -0.25 0.00 0.00 175.52 174.36 1ugk h GLN 86 N 0.00 0.00 -0.25 4.72 4.15 -1.94 -3.32 115.11 118.47 1ugk h GLN 86 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.48 1ugk h GLN 86 Cb 0.57 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.20 1ugk h GLN 86 CO 0.00 0.00 -0.13 0.82 -1.93 0.00 0.00 178.83 177.59 1ugk h ILE 87 N 0.00 0.59 0.00 2.39 1.08 0.16 0.59 117.51 122.33 1ugk h ILE 87 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1ugk h ILE 87 Cb 0.86 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 35.20 1ugk h ILE 87 CO 0.00 0.00 0.29 1.56 -0.69 0.00 0.00 178.15 179.31 1ugk h GLN 88 N -0.11 0.00 0.00 2.37 4.20 -1.69 0.89 115.11 120.78 1ugk h GLN 88 Ca 0.13 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 1ugk h GLN 88 Cb 0.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1ugk h GLN 88 CO -0.32 0.00 -1.84 0.39 -0.67 0.00 0.00 178.83 176.40 1ugk n GLU 89 N -2.77 0.65 -0.17 1.46 -0.58 0.17 -2.33 120.64 117.07 1ugk n GLU 89 Ca -0.02 -0.09 -0.05 0.00 -0.42 0.00 0.00 57.16 56.58 1ugk n GLU 89 Cb 0.34 -1.59 0.04 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 -2.44 0.00 0.00 -4.62 4.32 0.31 -4.13 117.00 110.45 1ugk n LEU 90 Ca -0.07 -0.18 0.00 0.00 -0.02 0.00 0.00 56.01 55.73 1ugk n LEU 90 Cb 0.66 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 1ugk n LEU 90 CO 0.44 -1.16 0.00 0.00 -1.22 0.00 0.00 177.39 175.45 1ugk n ALA 91 N -3.28 0.00 -2.70 -1.18 0.00 0.27 -3.50 120.51 110.11 1ugk n ALA 91 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 1ugk n ALA 91 Cb 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 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 4.30 -0.37 0.00 2.01 -0.77 0.72 118.68 124.57 1ugk s LEU 92 Ca 0.00 1.49 -0.05 0.00 0.01 0.00 0.00 54.13 55.58 1ugk s LEU 92 Cb 0.00 -3.45 0.08 0.00 0.01 0.00 0.00 46.19 42.82 1ugk s LEU 92 CO 0.00 -0.32 0.15 -2.28 1.01 0.00 0.00 176.35 174.91 1ugk s HIS 93 N 1.43 3.39 -0.39 0.29 2.46 -0.66 -0.93 115.29 120.89 1ugk s HIS 93 Ca 0.47 -1.91 -0.16 0.00 0.47 0.00 0.00 55.06 53.93 1ugk s HIS 93 Cb -0.19 -2.73 0.01 0.00 -0.13 0.00 0.00 32.58 29.54 1ugk s HIS 93 CO 0.21 -0.86 0.35 -0.06 -2.47 0.00 0.00 174.74 171.92 1ugk s PHE 94 N 1.28 3.21 -0.44 3.88 0.08 0.11 -3.14 117.98 122.96 1ugk s PHE 94 Ca 0.02 -0.35 -0.14 0.00 0.12 0.00 0.00 56.93 56.58 1ugk s PHE 94 Cb -0.22 -2.70 0.06 0.00 -0.57 0.00 0.00 43.02 39.60 1ugk s PHE 94 CO -0.01 -0.56 0.34 0.99 -0.10 0.00 0.00 175.22 175.88 1ugk s THR 95 N 1.91 5.05 -1.26 0.64 2.01 -0.93 0.20 115.64 123.25 1ugk s THR 95 Ca 0.09 -1.00 -0.18 0.00 0.31 0.00 0.00 61.69 60.91 1ugk s THR 95 Cb -0.18 -3.96 0.08 0.00 0.01 0.00 0.00 72.50 68.45 1ugk s THR 95 CO 0.12 -0.48 1.68 -0.63 -0.69 0.00 0.00 174.62 174.62 1ugk s ILE 96 N 1.61 4.17 0.41 1.82 1.09 0.90 -2.28 121.20 128.93 1ugk s ILE 96 Ca 0.04 -1.84 0.07 0.00 -1.10 0.00 0.00 60.65 57.82 1ugk s ILE 96 Cb -0.22 -5.16 -0.06 0.00 -1.06 0.00 0.00 42.46 35.96 1ugk s ILE 96 CO 0.07 -1.98 0.12 -1.48 -0.10 0.00 0.00 174.94 171.57 1ugk s LEU 97 N 4.10 3.04 0.09 2.97 2.34 -1.15 -1.10 118.68 128.97 1ugk s LEU 97 Ca 0.52 -1.18 0.08 0.00 0.06 0.00 0.00 54.13 53.61 1ugk s LEU 97 Cb 0.03 -1.25 -0.04 0.00 -0.56 0.00 0.00 46.19 44.37 1ugk s LEU 97 CO 0.05 -0.51 -0.15 -0.94 -1.06 0.00 0.00 176.35 173.74 1ugk s SER 98 N -3.84 4.06 0.36 1.48 1.04 -0.02 -0.96 113.70 115.81 1ugk s SER 98 Ca 0.39 -0.46 0.03 0.00 0.48 0.00 0.00 55.95 56.39 1ugk s SER 98 Cb 0.06 -0.67 -0.02 0.00 0.10 0.00 0.00 66.02 65.49 1ugk s SER 98 CO 0.21 0.20 0.53 0.12 0.98 0.00 0.00 173.24 175.28 1ugk s PHE 99 N -1.11 3.29 0.00 5.02 5.36 -1.20 -3.97 117.98 125.36 1ugk s PHE 99 Ca 0.18 0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.23 1ugk s PHE 99 Cb -0.11 -2.00 0.00 0.00 -0.34 0.00 0.00 43.02 40.57 1ugk s PHE 99 CO 0.10 -0.01 0.00 -0.25 -1.46 0.00 0.00 175.22 173.60 1ugk n ASP 100 N -1.77 0.00 0.00 6.13 8.00 -1.26 -4.81 116.55 122.84 1ugk n ASP 100 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1ugk n ASP 100 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 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 0.00 0.00 0.15 -1.24 0.63 -1.26 -3.14 116.66 111.79 1ugk n ARG 101 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1ugk n ARG 101 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 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 0.00 -2.64 -2.64 -0.14 3.72 -1.26 -4.99 117.46 109.51 1ugk n PHE 102 Ca 0.00 0.53 -0.05 0.00 -0.05 0.00 0.00 57.45 57.88 1ugk n PHE 102 Cb 0.00 0.88 -0.01 0.00 -0.94 0.00 0.00 39.48 39.41 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 -3.42 -1.05 -3.81 4.37 7.64 -1.19 0.20 113.62 116.37 1ugk n SER 103 Ca 0.00 0.27 -0.25 0.00 1.01 0.00 0.00 58.87 59.90 1ugk n SER 103 Cb 0.00 -1.02 0.02 0.00 -1.01 0.00 0.00 64.21 62.21 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 -2.56 -4.97 -3.08 1.43 1.74 -1.26 -3.51 116.66 104.46 1ugk n ARG 104 Ca 0.01 0.59 -0.00 0.00 -0.77 0.00 0.00 57.85 57.68 1ugk n ARG 104 Cb 0.47 -5.23 -0.00 0.00 -1.02 0.00 0.00 32.46 26.68 1ugk n ARG 104 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ugk n ASP 105 N -2.97 -6.83 -4.24 0.55 5.75 0.52 -4.73 116.55 104.61 1ugk n ASP 105 Ca -0.18 0.66 -0.43 0.00 -0.01 0.00 0.00 54.79 54.83 1ugk n ASP 105 Cb 0.62 -2.40 0.00 0.00 -1.03 0.00 0.00 41.12 38.32 1ugk n ASP 105 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1ugk n ASP 106 N 1.24 4.72 -4.78 -1.12 8.00 -1.23 -4.96 116.55 118.42 1ugk n ASP 106 Ca -0.01 -2.93 -0.38 0.00 0.71 0.00 0.00 54.79 52.18 1ugk n ASP 106 Cb 0.38 -1.66 -0.06 0.00 -0.02 0.00 0.00 41.12 39.75 1ugk n ASP 106 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ugk s ILE 107 N 2.98 4.25 -0.23 0.53 1.01 -1.26 -0.84 121.20 127.64 1ugk s ILE 107 Ca 0.48 1.79 0.02 0.00 0.00 0.00 0.00 60.65 62.94 1ugk s ILE 107 Cb 0.06 -4.08 -0.19 0.00 0.01 0.00 0.00 42.46 38.26 1ugk s ILE 107 CO 0.01 0.29 -0.10 -0.38 0.00 0.00 0.00 174.94 174.76 1ugk n ILE 108 N 0.95 1.54 -3.59 2.92 5.41 -0.26 -4.89 119.36 121.43 1ugk n ILE 108 Ca -0.01 -0.61 0.02 0.00 1.00 0.00 0.00 62.75 63.15 1ugk n ILE 108 Cb 0.49 -1.40 -0.01 0.00 -0.71 0.00 0.00 39.64 38.01 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 -6.27 -0.43 0.20 7.39 0.00 -0.52 -4.83 107.32 102.86 1ugk s GLY 109 Ca -0.31 0.96 0.11 0.00 0.00 0.00 0.00 44.72 45.49 1ugk s GLY 109 CO 0.65 0.21 -0.24 -0.54 0.00 0.00 0.00 173.10 173.18 1ugk s GLU 110 N -2.24 1.52 0.02 2.90 2.02 -1.24 -0.07 118.70 121.61 1ugk s GLU 110 Ca 0.14 -1.54 0.01 0.00 0.02 0.00 0.00 54.97 53.60 1ugk s GLU 110 Cb 0.05 -1.83 -0.02 0.00 0.10 0.00 0.00 34.13 32.43 1ugk s GLU 110 CO -0.05 0.39 -0.04 0.08 0.02 0.00 0.00 175.26 175.67 1ugk s VAL 111 N -1.71 0.21 0.01 2.63 1.01 0.52 -4.30 120.40 118.77 1ugk s VAL 111 Ca 0.21 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1ugk s VAL 111 Cb -0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.98 1ugk s VAL 111 CO 0.10 -0.37 0.00 -0.22 0.00 0.00 0.00 175.10 174.61 1ugk s LEU 112 N -1.21 2.10 -0.32 3.92 2.96 -1.26 0.06 118.68 124.92 1ugk s LEU 112 Ca -0.11 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 1ugk s LEU 112 Cb -0.08 0.17 0.15 0.00 0.50 0.00 0.00 46.19 46.92 1ugk s LEU 112 CO -0.01 -0.26 0.34 -0.51 -1.32 0.00 0.00 176.35 174.60 1ugk s ILE 113 N -1.18 -0.42 -0.14 6.68 1.10 -0.10 -4.97 121.20 122.16 1ugk s ILE 113 Ca -0.13 -0.62 -0.29 0.00 -0.51 0.00 0.00 60.65 59.09 1ugk s ILE 113 Cb -0.08 -0.87 -0.02 0.00 0.15 0.00 0.00 42.46 41.64 1ugk s ILE 113 CO -0.00 -0.47 1.27 -2.16 -2.11 0.00 0.00 174.94 171.46 1ugk s PRO 114 N 2.07 4.25 0.00 3.50 0.04 -1.26 -1.85 135.00 141.75 1ugk s PRO 114 Ca 0.12 1.68 0.18 0.00 0.04 0.00 0.00 61.00 63.03 1ugk s PRO 114 Cb -0.14 -3.74 0.95 0.00 0.04 0.00 0.00 34.50 31.61 1ugk s PRO 114 CO -0.22 -0.67 1.54 1.28 0.04 0.00 0.00 177.00 178.97 1ugk n LEU 115 N 6.38 0.00 -4.56 -3.56 4.77 -1.23 -4.63 117.00 114.17 1ugk n LEU 115 Ca 0.14 0.24 -0.41 0.00 -0.03 0.00 0.00 56.01 55.95 1ugk n LEU 115 Cb 0.45 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1ugk n LEU 115 CO 0.56 -0.10 1.94 -0.24 -1.33 0.00 0.00 177.39 178.22 1ugk n SER 116 N -1.24 2.66 0.00 -1.43 2.88 -0.99 -0.40 113.62 115.10 1ugk n SER 116 Ca 0.09 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1ugk n SER 116 Cb 0.13 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.07 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 5.97 2.52 3.76 0.46 0.00 -1.26 -5.05 105.19 111.59 1ugk n GLY 117 Ca 0.35 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.82 2.22 -0.26 -0.61 -1.09 0.46 -4.99 121.20 115.12 1ugk s ILE 118 Ca 0.00 0.20 -0.00 0.00 -2.23 0.00 0.00 60.65 58.62 1ugk s ILE 118 Cb 0.00 -3.13 0.04 0.00 -1.58 0.00 0.00 42.46 37.79 1ugk s ILE 118 CO 0.00 0.04 -0.07 -1.83 -1.23 0.00 0.00 174.94 171.85 1ugk s GLU 119 N -1.21 2.62 0.06 2.79 -1.05 -1.26 -4.86 118.70 115.79 1ugk s GLU 119 Ca 0.57 -1.11 0.23 0.00 -0.15 0.00 0.00 54.97 54.51 1ugk s GLU 119 Cb -0.46 -2.98 0.09 0.00 -0.44 0.00 0.00 34.13 30.35 1ugk s GLU 119 CO 0.53 -0.47 1.07 1.28 0.95 0.00 0.00 175.26 178.62 1ugk n LEU 120 N 4.60 0.62 -0.36 1.83 4.77 -1.26 -4.30 117.00 122.90 1ugk n LEU 120 Ca -0.16 0.03 -0.01 0.00 -0.03 0.00 0.00 56.01 55.84 1ugk n LEU 120 Cb 0.45 -0.11 0.04 0.00 -2.33 0.00 0.00 43.42 41.48 1ugk n LEU 120 CO 0.25 0.02 0.60 -1.28 -1.33 0.00 0.00 177.39 175.65 1ugk h SER 121 N 0.00 -1.38 -0.81 -1.43 0.87 -1.98 0.61 113.55 109.43 1ugk h SER 121 Ca 0.00 0.30 0.16 0.00 -1.23 0.00 0.00 61.79 61.02 1ugk h SER 121 Cb 0.74 0.73 -0.15 0.00 -0.44 0.00 0.00 62.40 63.28 1ugk h SER 121 CO 0.00 -0.29 -0.22 -0.33 -0.53 0.00 0.00 176.83 175.46 1ugk h GLU 122 N -0.02 -0.01 0.00 2.24 5.08 -2.02 -3.47 114.58 116.38 1ugk h GLU 122 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1ugk h GLU 122 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1ugk h GLU 122 CO -0.96 -0.01 0.00 0.41 -1.00 0.00 0.00 179.01 177.45 1ugk n GLY 123 N -1.52 -0.49 3.61 -3.84 0.00 0.21 -5.09 105.19 98.07 1ugk n GLY 123 Ca 0.11 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.99 4.03 -0.07 1.61 2.20 -1.26 -4.65 119.74 119.61 1ugk s LYS 124 Ca 0.00 0.32 0.02 0.00 -0.36 0.00 0.00 55.97 55.95 1ugk s LYS 124 Cb 0.00 -3.67 -0.03 0.00 -1.51 0.00 0.00 37.83 32.62 1ugk s LYS 124 CO 0.00 -0.40 -0.09 0.00 -0.36 0.00 0.00 175.35 174.50 1ugk s MET 125 N 2.37 2.71 0.03 4.03 0.23 -1.21 -5.00 119.30 122.46 1ugk s MET 125 Ca 0.22 -0.60 -0.16 0.00 -1.03 0.00 0.00 55.69 54.12 1ugk s MET 125 Cb -0.16 -2.53 -0.06 0.00 -1.53 0.00 0.00 34.83 30.55 1ugk s MET 125 CO 0.10 0.63 0.46 -1.17 -2.03 0.00 0.00 175.02 173.01 1ugk s LEU 126 N -0.73 4.49 0.01 0.18 1.98 -1.26 -2.75 118.68 120.61 1ugk s LEU 126 Ca 0.11 1.07 -0.07 0.00 -2.89 0.00 0.00 54.13 52.35 1ugk s LEU 126 Cb -0.11 -2.70 -0.00 0.00 0.66 0.00 0.00 46.19 44.04 1ugk s LEU 126 CO 0.01 0.31 0.14 -0.04 -1.89 0.00 0.00 176.35 174.88 1ugk s MET 127 N -1.09 0.53 0.03 1.98 -1.94 0.48 -4.99 119.30 114.29 1ugk s MET 127 Ca 0.26 -0.49 0.04 0.00 -1.71 0.00 0.00 55.69 53.79 1ugk s MET 127 Cb -0.18 0.22 -0.02 0.00 2.01 0.00 0.00 34.83 36.86 1ugk s MET 127 CO 0.15 -0.13 -0.12 0.54 -0.01 0.00 0.00 175.02 175.45 1ugk s ASN 128 N -1.60 1.46 0.05 3.03 2.20 -1.26 -1.36 114.94 117.45 1ugk s ASN 128 Ca -0.12 -0.39 0.05 0.00 -0.94 0.00 0.00 52.86 51.45 1ugk s ASN 128 Cb -0.06 -0.10 -0.02 0.00 -2.00 0.00 0.00 41.25 39.07 1ugk s ASN 128 CO -0.00 0.03 -0.14 -0.13 -2.94 0.00 0.00 177.10 173.93 1ugk s ARG 129 N -0.94 0.88 -0.01 3.55 1.81 0.34 -4.94 118.95 119.63 1ugk s ARG 129 Ca 0.01 -0.80 -0.15 0.00 -1.72 0.00 0.00 55.73 53.06 1ugk s ARG 129 Cb -0.07 -0.88 -0.06 0.00 -0.45 0.00 0.00 34.95 33.49 1ugk s ARG 129 CO 0.01 0.21 0.42 -1.83 -0.68 0.00 0.00 175.30 173.43 1ugk s GLU 130 N -1.31 3.99 -0.30 3.54 -1.05 -1.26 0.35 118.70 122.66 1ugk s GLU 130 Ca 0.00 0.43 -0.16 0.00 -0.15 0.00 0.00 54.97 55.09 1ugk s GLU 130 Cb -0.08 -3.25 -0.03 0.00 -0.44 0.00 0.00 34.13 30.33 1ugk s GLU 130 CO 0.01 0.62 0.40 0.42 0.95 0.00 0.00 175.26 177.66 1ugk s ILE 131 N -0.84 5.14 0.12 1.83 1.01 0.38 -4.88 121.20 123.95 1ugk s ILE 131 Ca 0.24 0.43 0.01 0.00 0.00 0.00 0.00 60.65 61.33 1ugk s ILE 131 Cb -0.17 -3.78 -0.00 0.00 0.01 0.00 0.00 42.46 38.52 1ugk s ILE 131 CO 0.13 0.03 0.04 2.30 0.00 0.00 0.00 174.94 177.44 1ugk n ILE 132 N 5.20 0.00 -2.33 2.92 -6.64 -1.26 -1.79 119.36 115.46 1ugk n ILE 132 Ca -0.08 -0.68 -0.43 0.00 -1.77 0.00 0.00 62.75 59.80 1ugk n ILE 132 Cb 0.50 0.24 0.00 0.00 -1.44 0.00 0.00 39.64 38.94 1ugk n ILE 132 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 1ugk n SER 133 N -1.88 4.89 -1.30 7.28 2.88 -1.26 -3.72 113.62 120.52 1ugk n SER 133 Ca -0.02 -3.04 0.09 0.00 -1.33 0.00 0.00 58.87 54.58 1ugk n SER 133 Cb 0.18 -1.53 -0.05 0.00 -0.75 0.00 0.00 64.21 62.05 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 3.31 -3.54 3.57 0.46 0.00 -1.26 -4.45 105.19 103.27 1ugk n GLY 134 Ca 0.42 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 1ugk n GLY 134 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugk s PRO 135 N -4.58 3.21 -0.05 1.61 0.04 -1.26 -4.87 135.00 129.11 1ugk s PRO 135 Ca 0.00 -1.35 -0.02 0.00 0.04 0.00 0.00 61.00 59.67 1ugk s PRO 135 Cb 0.00 -5.35 0.03 0.00 0.04 0.00 0.00 34.50 29.23 1ugk s PRO 135 CO 0.00 -3.02 0.06 -1.54 0.04 0.00 0.00 177.00 172.54 1ugk s SER 136 N 5.65 1.21 0.15 6.66 1.04 -1.26 -5.04 113.70 122.11 1ugk s SER 136 Ca 0.60 0.04 0.00 0.00 0.48 0.00 0.00 55.95 57.07 1ugk s SER 136 Cb 0.00 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1ugk s SER 136 CO 0.06 -0.25 0.00 -1.20 0.98 0.00 0.00 173.24 172.83 1ugk n SER 137 N 5.30 -7.80 0.00 7.02 7.64 -1.26 -5.05 113.62 119.47 1ugk n SER 137 Ca -0.03 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1ugk n SER 137 Cb 0.50 -4.37 0.00 0.00 -1.01 0.00 0.00 64.21 59.33 1ugk n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64