#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udl s SER 2 N 0.00 4.25 -0.06 1.61 0.01 -1.26 -5.05 113.70 113.19 1udl s SER 2 Ca 0.00 -0.19 -0.08 0.00 1.31 0.00 0.00 55.95 57.00 1udl s SER 2 Cb 0.00 -0.93 -0.04 0.00 0.21 0.00 0.00 66.02 65.26 1udl s SER 2 CO 0.00 0.32 0.33 -1.28 0.41 0.00 0.00 173.24 173.02 1udl h SER 3 N 5.01 -0.23 -3.56 2.44 0.87 -2.12 -3.48 113.55 112.47 1udl h SER 3 Ca -0.48 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.06 1udl h SER 3 Cb 1.16 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1udl h SER 3 CO 0.51 0.21 -0.01 0.61 -0.53 0.00 0.00 176.83 177.61 1udl n GLY 4 N 1.06 3.18 3.10 5.77 0.00 -1.26 -5.14 105.19 111.90 1udl n GLY 4 Ca -0.03 -2.18 -0.28 0.00 0.00 0.00 0.00 46.02 43.52 1udl n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1udl s SER 5 N -1.16 2.40 -0.73 1.61 1.04 -1.26 -5.09 113.70 110.52 1udl s SER 5 Ca 0.01 -0.42 -0.09 0.00 0.48 0.00 0.00 55.95 55.93 1udl s SER 5 Cb -0.00 -1.10 0.19 0.00 0.10 0.00 0.00 66.02 65.21 1udl s SER 5 CO 0.01 0.07 0.61 -0.44 0.98 0.00 0.00 173.24 174.47 1udl s SER 6 N 0.66 6.05 -0.71 7.02 0.01 -1.26 -4.75 113.70 120.72 1udl s SER 6 Ca -0.13 -2.75 -0.03 0.00 1.31 0.00 0.00 55.95 54.34 1udl s SER 6 Cb -0.16 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.03 1udl s SER 6 CO 0.04 -0.48 0.67 0.61 0.41 0.00 0.00 173.24 174.48 1udl n GLY 7 N 3.77 -1.22 3.16 3.44 0.00 -1.26 -5.01 105.19 108.07 1udl n GLY 7 Ca 0.10 0.61 -0.33 0.00 0.00 0.00 0.00 46.02 46.41 1udl n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1udl s GLN 8 N -3.25 3.04 -0.45 1.61 2.00 -1.26 -5.06 119.66 116.30 1udl s GLN 8 Ca 0.04 -0.82 -0.41 0.00 -2.00 0.00 0.00 55.36 52.16 1udl s GLN 8 Cb -0.01 -2.54 -0.17 0.00 0.80 0.00 0.00 33.01 31.10 1udl s GLN 8 CO 0.78 -0.10 2.13 1.63 -0.50 0.00 0.00 175.29 179.22 1udl n LYS 9 N 4.34 0.34 0.00 1.67 5.02 -1.26 -4.62 118.16 123.64 1udl n LYS 9 Ca -0.20 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1udl n LYS 9 Cb 0.51 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1udl n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1udl n GLY 10 N 7.03 -1.34 3.71 0.72 0.00 -1.26 -5.15 105.19 108.91 1udl n GLY 10 Ca 0.50 0.52 -0.41 0.00 0.00 0.00 0.00 46.02 46.63 1udl n GLY 10 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1udl s TRP 11 N 0.00 3.61 -0.53 1.61 -0.11 -1.26 -5.02 118.94 117.23 1udl s TRP 11 Ca 0.00 1.43 -0.12 0.00 1.22 0.00 0.00 56.10 58.63 1udl s TRP 11 Cb 0.00 -2.94 0.13 0.00 -1.50 0.00 0.00 33.47 29.17 1udl s TRP 11 CO 0.00 0.04 0.44 -0.06 -4.62 0.00 0.00 176.95 172.76 1udl s PHE 12 N 0.90 3.38 1.13 5.86 0.40 -1.26 -5.07 117.98 123.31 1udl s PHE 12 Ca 0.43 -1.66 -0.17 0.00 -0.60 0.00 0.00 56.93 54.94 1udl s PHE 12 Cb -0.19 -3.64 0.25 0.00 0.51 0.00 0.00 43.02 39.95 1udl s PHE 12 CO 0.22 -1.00 1.10 -1.25 0.70 0.00 0.00 175.22 174.99 1udl s PRO 13 N 1.33 -0.64 -0.25 0.24 0.04 -1.26 -4.88 135.00 129.58 1udl s PRO 13 Ca 0.06 0.15 -0.28 0.00 0.04 0.00 0.00 61.00 60.97 1udl s PRO 13 Cb -0.26 -1.65 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 1udl s PRO 13 CO 0.00 -3.37 2.23 0.00 0.04 0.00 0.00 177.00 175.91 1udl s ALA 14 N -2.99 2.62 0.44 8.56 0.00 -1.26 -4.92 121.76 124.21 1udl s ALA 14 Ca 0.69 0.69 -0.25 0.00 0.00 0.00 0.00 51.96 53.09 1udl s ALA 14 Cb -0.13 -4.10 -0.08 0.00 0.00 0.00 0.00 23.12 18.80 1udl s ALA 14 CO 0.57 -2.96 1.41 -1.54 0.00 0.00 0.00 175.76 173.23 1udl s SER 15 N 8.65 5.96 0.45 0.00 1.04 -1.26 -5.01 113.70 123.54 1udl s SER 15 Ca 1.00 2.87 -0.04 0.00 0.48 0.00 0.00 55.95 60.27 1udl s SER 15 Cb -0.31 -2.65 -0.03 0.00 0.10 0.00 0.00 66.02 63.12 1udl s SER 15 CO 0.34 -1.12 0.73 -2.28 0.98 0.00 0.00 173.24 171.90 1udl s HIS 16 N -1.21 3.52 -0.42 5.02 5.04 -1.26 -5.06 115.29 120.92 1udl s HIS 16 Ca 0.60 0.68 -0.12 0.00 -1.54 0.00 0.00 55.06 54.67 1udl s HIS 16 Cb -0.43 -2.22 0.05 0.00 0.04 0.00 0.00 32.58 30.02 1udl s HIS 16 CO 0.55 -0.21 0.29 0.08 -2.34 0.00 0.00 174.74 173.10 1udl s VAL 17 N -2.65 4.79 -1.17 0.89 1.01 -1.26 -5.02 120.40 117.00 1udl s VAL 17 Ca 0.46 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 1udl s VAL 17 Cb -0.10 -3.78 0.12 0.00 0.00 0.00 0.00 36.38 32.62 1udl s VAL 17 CO 0.43 -0.40 1.48 -0.54 0.00 0.00 0.00 175.10 176.06 1udl s LYS 18 N 1.57 3.92 -0.14 2.72 1.02 -1.26 -4.98 119.74 122.60 1udl s LYS 18 Ca 0.03 -2.11 -0.09 0.00 0.02 0.00 0.00 55.97 53.83 1udl s LYS 18 Cb -0.21 -5.22 -0.04 0.00 -0.52 0.00 0.00 37.83 31.83 1udl s LYS 18 CO 0.06 -1.97 0.17 -1.17 -0.92 0.00 0.00 175.35 171.52 1udl s LEU 19 N 2.96 4.34 -0.47 3.17 2.96 -1.26 -5.01 118.68 125.36 1udl s LEU 19 Ca 0.45 0.44 -0.26 0.00 -0.22 0.00 0.00 54.13 54.54 1udl s LEU 19 Cb -0.01 -2.14 -0.07 0.00 0.50 0.00 0.00 46.19 44.47 1udl s LEU 19 CO -0.00 0.32 2.40 0.18 -1.32 0.00 0.00 176.35 177.93 1udl n LEU 20 N 2.51 2.38 -3.91 -0.68 4.77 -1.26 -4.90 117.00 115.92 1udl n LEU 20 Ca -0.18 -0.43 -0.09 0.00 -0.03 0.00 0.00 56.01 55.28 1udl n LEU 20 Cb 0.54 -1.58 -0.07 0.00 -2.33 0.00 0.00 43.42 39.98 1udl n LEU 20 CO 0.34 -1.48 -0.11 -0.83 -1.33 0.00 0.00 177.39 173.98 1udl s GLY 21 N 11.83 0.23 1.17 -0.72 0.00 -1.26 -5.17 107.32 113.40 1udl s GLY 21 Ca 0.99 -0.75 -0.18 0.00 0.00 0.00 0.00 44.72 44.78 1udl s GLY 21 CO 0.27 -0.87 1.11 2.56 0.00 0.00 0.00 173.10 176.17 1udl s PRO 22 N -3.89 -0.99 -0.47 2.90 0.04 -1.26 -4.98 135.00 126.35 1udl s PRO 22 Ca 0.08 0.02 0.04 0.00 0.04 0.00 0.00 61.00 61.18 1udl s PRO 22 Cb 0.05 -1.62 0.44 0.00 0.04 0.00 0.00 34.50 33.41 1udl s PRO 22 CO -0.08 -3.57 1.47 -1.13 0.04 0.00 0.00 177.00 173.73 1udl n SER 23 N -4.68 5.85 -0.06 6.66 3.41 -1.26 -4.61 113.62 118.93 1udl n SER 23 Ca 0.12 -3.76 -0.11 0.00 -0.26 0.00 0.00 58.87 54.85 1udl n SER 23 Cb 0.59 -0.59 -0.05 0.00 -0.26 0.00 0.00 64.21 63.89 1udl n SER 23 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1udl n SER 24 N -0.71 2.09 -4.95 4.04 2.88 -1.26 -5.03 113.62 110.68 1udl n SER 24 Ca 0.49 0.04 -0.25 0.00 -1.33 0.00 0.00 58.87 57.82 1udl n SER 24 Cb 0.77 -0.29 -0.02 0.00 -0.75 0.00 0.00 64.21 63.92 1udl n SER 24 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1udl s GLU 25 N -2.25 3.47 -0.10 -1.46 8.01 -1.26 -5.10 118.70 120.01 1udl s GLU 25 Ca -0.18 -0.52 -0.06 0.00 0.01 0.00 0.00 54.97 54.23 1udl s GLU 25 Cb 0.06 -2.85 -0.04 0.00 -4.31 0.00 0.00 34.13 26.98 1udl s GLU 25 CO 0.27 0.40 0.13 1.03 0.01 0.00 0.00 175.26 177.09 1udl s ARG 26 N -3.65 3.37 0.37 1.61 0.52 -1.26 -5.02 118.95 114.89 1udl s ARG 26 Ca 0.36 -0.20 -0.27 0.00 -0.52 0.00 0.00 55.73 55.10 1udl s ARG 26 Cb -0.10 -3.12 -0.10 0.00 0.52 0.00 0.00 34.95 32.15 1udl s ARG 26 CO 0.30 0.75 1.31 0.00 0.02 0.00 0.00 175.30 177.68 1udl s ALA 27 N -1.05 3.39 0.07 2.13 0.00 -1.26 -4.99 121.76 120.05 1udl s ALA 27 Ca 0.17 1.26 -0.24 0.00 0.00 0.00 0.00 51.96 53.14 1udl s ALA 27 Cb -0.12 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.45 1udl s ALA 27 CO 0.06 -0.73 0.72 0.99 0.00 0.00 0.00 175.76 176.79 1udl s THR 28 N -1.20 4.66 -1.03 0.00 2.01 -1.26 -4.97 115.64 113.85 1udl s THR 28 Ca 0.53 1.54 -0.24 0.00 0.31 0.00 0.00 61.69 63.83 1udl s THR 28 Cb -0.39 -4.07 -0.06 0.00 0.01 0.00 0.00 72.50 67.99 1udl s THR 28 CO 0.51 0.44 1.94 -2.16 -0.69 0.00 0.00 174.62 174.66 1udl s PRO 29 N -0.51 2.54 -1.16 4.92 0.04 -1.26 -4.88 135.00 134.69 1udl s PRO 29 Ca 0.35 -0.69 -0.10 0.00 0.04 0.00 0.00 61.00 60.61 1udl s PRO 29 Cb -0.21 -5.15 0.24 0.00 0.04 0.00 0.00 34.50 29.43 1udl s PRO 29 CO 0.23 -3.64 1.35 0.00 0.04 0.00 0.00 177.00 174.98 1udl n ALA 30 N 14.12 4.38 -2.69 8.56 0.00 -1.26 -4.98 120.51 138.64 1udl n ALA 30 Ca 0.42 -4.52 -0.18 0.00 0.00 0.00 0.00 53.44 49.16 1udl n ALA 30 Cb 0.47 -2.68 -0.14 0.00 0.00 0.00 0.00 19.45 17.10 1udl n ALA 30 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1udl s PHE 31 N -0.45 0.97 -0.40 0.00 -0.71 -1.26 -5.12 117.98 111.01 1udl s PHE 31 Ca 0.36 -0.29 0.03 0.00 -1.04 0.00 0.00 56.93 55.98 1udl s PHE 31 Cb -0.04 -0.59 0.11 0.00 -1.21 0.00 0.00 43.02 41.30 1udl s PHE 31 CO -0.02 -0.00 0.14 -3.38 -1.34 0.00 0.00 175.22 170.62 1udl s HIS 32 N -0.67 2.98 1.17 3.49 -3.43 -1.26 -5.12 115.29 112.45 1udl s HIS 32 Ca 0.01 -2.74 -0.18 0.00 -0.80 0.00 0.00 55.06 51.35 1udl s HIS 32 Cb -0.06 -2.53 0.27 0.00 -1.43 0.00 0.00 32.58 28.83 1udl s HIS 32 CO 0.00 -0.86 1.11 -1.25 -2.00 0.00 0.00 174.74 171.74 1udl s PRO 33 N 0.63 -0.97 -0.14 -0.38 0.04 -1.26 -4.98 135.00 127.93 1udl s PRO 33 Ca 0.13 0.03 -0.01 0.00 0.04 0.00 0.00 61.00 61.19 1udl s PRO 33 Cb -0.21 -1.62 -0.24 0.00 0.04 0.00 0.00 34.50 32.47 1udl s PRO 33 CO -0.08 -3.56 0.26 1.33 0.04 0.00 0.00 177.00 174.99 1udl n VAL 34 N -4.67 1.68 -3.69 -0.36 0.24 -0.19 -4.97 118.33 106.37 1udl n VAL 34 Ca 0.12 -0.66 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 1udl n VAL 34 Cb 0.59 -1.53 -0.00 0.00 -1.47 0.00 0.00 33.84 31.43 1udl n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1udl s GLN 36 N -2.55 3.58 0.55 0.00 0.74 -1.26 -1.13 119.66 119.58 1udl s GLN 36 Ca 0.15 -0.55 0.04 0.00 0.05 0.00 0.00 55.36 55.06 1udl s GLN 36 Cb 0.03 -3.00 0.03 0.00 1.10 0.00 0.00 33.01 31.17 1udl s GLN 36 CO -0.02 0.05 0.30 0.14 -0.55 0.00 0.00 175.29 175.21 1udl s VAL 37 N 0.89 1.44 -0.02 1.34 -7.23 0.36 -2.69 120.40 114.49 1udl s VAL 37 Ca 0.00 -1.63 0.03 0.00 -1.81 0.00 0.00 61.98 58.57 1udl s VAL 37 Cb -0.14 -2.07 -0.00 0.00 0.56 0.00 0.00 36.38 34.72 1udl s VAL 37 CO 0.02 0.00 -0.10 -0.51 -0.31 0.00 0.00 175.10 174.19 1udl s ILE 38 N -2.82 0.86 -0.06 -0.62 2.07 -0.57 -3.47 121.20 116.58 1udl s ILE 38 Ca 0.25 -0.43 -0.30 0.00 -1.41 0.00 0.00 60.65 58.76 1udl s ILE 38 Cb -0.02 -0.74 -0.05 0.00 0.13 0.00 0.00 42.46 41.78 1udl s ILE 38 CO 0.16 0.26 1.66 0.00 -1.91 0.00 0.00 174.94 175.10 1udl s ALA 39 N -0.01 3.59 0.14 1.50 0.00 -1.24 -1.59 121.76 124.14 1udl s ALA 39 Ca 0.00 0.91 0.03 0.00 0.00 0.00 0.00 51.96 52.90 1udl s ALA 39 Cb -0.07 -3.76 -0.10 0.00 0.00 0.00 0.00 23.12 19.20 1udl s ALA 39 CO 0.00 -1.44 1.32 0.52 0.00 0.00 0.00 175.76 176.16 1udl h MET 40 N 9.66 0.15 -4.27 0.00 0.00 -1.06 -0.12 114.93 119.29 1udl h MET 40 Ca -0.39 -0.20 -0.21 0.00 0.00 0.00 0.00 59.70 58.90 1udl h MET 40 Cb 1.18 0.06 -0.21 0.00 0.00 0.00 0.00 31.60 32.64 1udl h MET 40 CO 0.96 1.00 -0.71 0.71 0.00 0.00 0.00 176.91 178.87 1udl s TYR 41 N -2.99 0.48 -0.47 -0.22 1.51 -1.26 -4.84 117.35 109.57 1udl s TYR 41 Ca -0.02 -0.56 -0.26 0.00 -1.01 0.00 0.00 57.07 55.22 1udl s TYR 41 Cb 0.10 -0.31 -0.06 0.00 -0.11 0.00 0.00 41.96 41.58 1udl s TYR 41 CO 0.83 -0.15 2.31 0.16 -1.11 0.00 0.00 175.55 177.59 1udl s ASP 42 N -1.65 4.67 -0.14 2.29 -4.77 -1.26 -4.23 116.67 111.58 1udl s ASP 42 Ca -0.11 1.09 -0.19 0.00 -3.30 0.00 0.00 52.55 50.04 1udl s ASP 42 Cb -0.08 -2.51 -0.04 0.00 -1.09 0.00 0.00 42.92 39.20 1udl s ASP 42 CO -0.01 -2.70 0.51 -0.47 0.70 0.00 0.00 175.17 173.20 1udl s TYR 43 N 11.30 3.47 -0.32 2.11 6.14 -0.13 -4.88 117.35 135.04 1udl s TYR 43 Ca 0.94 0.88 0.03 0.00 0.64 0.00 0.00 57.07 59.57 1udl s TYR 43 Cb -0.18 -2.61 0.09 0.00 0.42 0.00 0.00 41.96 39.67 1udl s TYR 43 CO 0.27 0.08 0.01 0.00 0.64 0.00 0.00 175.55 176.54 1udl s ALA 44 N 0.96 2.82 -0.29 3.97 0.00 -1.26 0.89 121.76 128.85 1udl s ALA 44 Ca 0.26 -2.33 -0.38 0.00 0.00 0.00 0.00 51.96 49.51 1udl s ALA 44 Cb -0.15 -1.89 -0.14 0.00 0.00 0.00 0.00 23.12 20.94 1udl s ALA 44 CO 0.11 -1.56 1.92 0.00 0.00 0.00 0.00 175.76 176.23 1udl n ALA 45 N 4.32 0.36 0.28 0.00 0.00 -1.22 -4.80 120.51 119.45 1udl n ALA 45 Ca -0.01 0.22 0.16 0.00 0.00 0.00 0.00 53.44 53.81 1udl n ALA 45 Cb 0.42 -2.35 0.80 0.00 0.00 0.00 0.00 19.45 18.32 1udl n ALA 45 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1udl h ASN 46 N 9.18 0.00 -3.54 0.00 7.08 -1.92 -3.45 115.58 122.93 1udl h ASN 46 Ca -0.39 0.00 -0.26 0.00 -3.08 0.00 0.00 56.30 52.57 1udl h ASN 46 Cb 1.32 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 37.49 1udl h ASN 46 CO 0.99 0.07 -0.24 -0.46 -2.08 0.00 0.00 177.43 175.70 1udl n ASN 47 N -3.33 0.08 -0.18 6.14 2.04 -1.26 -5.03 115.26 113.71 1udl n ASN 47 Ca -0.01 -2.13 0.15 0.00 -0.44 0.00 0.00 54.58 52.15 1udl n ASN 47 Cb 0.24 0.76 0.79 0.00 -2.53 0.00 0.00 39.78 39.03 1udl n ASN 47 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1udl n GLU 48 N -0.37 1.25 -0.02 -3.83 4.71 -1.26 -3.51 120.64 117.60 1udl n GLU 48 Ca 0.02 -0.37 -0.14 0.00 -0.01 0.00 0.00 57.16 56.67 1udl n GLU 48 Cb 0.31 -1.49 -0.14 0.00 -1.01 0.00 0.00 31.44 29.11 1udl n GLU 48 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1udl n ASP 49 N -0.56 1.28 -4.72 1.62 9.92 -1.26 -4.95 116.55 117.89 1udl n ASP 49 Ca 0.22 0.28 -0.26 0.00 -0.53 0.00 0.00 54.79 54.50 1udl n ASP 49 Cb 0.20 -0.26 0.10 0.00 -0.64 0.00 0.00 41.12 40.52 1udl n ASP 49 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1udl s GLU 50 N -2.57 1.79 -0.18 -1.24 8.01 -1.23 -3.37 118.70 119.92 1udl s GLU 50 Ca -0.13 -0.52 -0.06 0.00 0.01 0.00 0.00 54.97 54.28 1udl s GLU 50 Cb 0.07 -2.16 -0.03 0.00 -4.31 0.00 0.00 34.13 27.70 1udl s GLU 50 CO 0.79 -1.48 0.02 -1.17 0.01 0.00 0.00 175.26 173.43 1udl s LEU 51 N -5.32 3.51 -0.37 1.80 0.20 -0.20 -4.22 118.68 114.08 1udl s LEU 51 Ca 0.64 -0.04 -0.11 0.00 0.69 0.00 0.00 54.13 55.31 1udl s LEU 51 Cb -0.08 -1.87 0.03 0.00 -0.43 0.00 0.00 46.19 43.83 1udl s LEU 51 CO 0.46 0.15 0.20 -0.94 -0.29 0.00 0.00 176.35 175.93 1udl s SER 52 N 0.47 5.71 0.30 3.68 1.04 -1.26 -3.42 113.70 120.22 1udl s SER 52 Ca -0.00 -0.98 0.03 0.00 0.48 0.00 0.00 55.95 55.47 1udl s SER 52 Cb -0.13 -2.02 -0.04 0.00 0.10 0.00 0.00 66.02 63.93 1udl s SER 52 CO 0.02 -0.38 0.13 0.72 0.98 0.00 0.00 173.24 174.71 1udl s PHE 53 N 1.55 1.61 0.30 5.02 -0.12 0.26 -4.85 117.98 121.75 1udl s PHE 53 Ca 0.02 -1.27 0.09 0.00 -0.05 0.00 0.00 56.93 55.71 1udl s PHE 53 Cb -0.19 -0.92 -0.04 0.00 -0.63 0.00 0.00 43.02 41.24 1udl s PHE 53 CO 0.07 -0.41 0.08 -1.54 -0.05 0.00 0.00 175.22 173.37 1udl s SER 54 N -3.38 4.70 -0.16 1.98 1.04 -1.26 -0.96 113.70 115.66 1udl s SER 54 Ca 0.36 -0.67 -0.33 0.00 0.48 0.00 0.00 55.95 55.78 1udl s SER 54 Cb 0.06 -0.84 -0.10 0.00 0.10 0.00 0.00 66.02 65.24 1udl s SER 54 CO 0.16 -0.14 2.01 1.17 0.98 0.00 0.00 173.24 177.41 1udl n LYS 55 N -1.04 1.96 -0.30 4.02 4.81 -1.26 -0.89 118.16 125.46 1udl n LYS 55 Ca -0.05 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 1udl n LYS 55 Cb 0.60 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.91 1udl n LYS 55 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1udl n GLY 56 N 5.08 0.82 3.82 3.14 0.00 -0.06 -4.95 105.19 113.04 1udl n GLY 56 Ca 0.27 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1udl n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1udl s GLN 57 N -0.62 3.28 -0.73 1.61 2.00 -0.06 -4.80 119.66 120.33 1udl s GLN 57 Ca 0.00 1.02 -0.27 0.00 -2.00 0.00 0.00 55.36 54.11 1udl s GLN 57 Cb 0.00 -2.03 0.03 0.00 0.80 0.00 0.00 33.01 31.80 1udl s GLN 57 CO 0.00 -0.83 1.30 -1.17 -0.50 0.00 0.00 175.29 174.09 1udl s LEU 58 N -4.94 3.17 -0.14 3.68 2.96 -1.26 -3.72 118.68 118.43 1udl s LEU 58 Ca 0.60 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 54.12 1udl s LEU 58 Cb -0.14 -2.56 0.01 0.00 0.50 0.00 0.00 46.19 44.00 1udl s LEU 58 CO 0.45 -1.86 -0.22 -0.63 -1.32 0.00 0.00 176.35 172.78 1udl s ILE 59 N 5.86 2.05 -0.31 6.68 1.01 -1.23 -4.13 121.20 131.13 1udl s ILE 59 Ca 0.36 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 60.03 1udl s ILE 59 Cb -0.08 -1.81 0.06 0.00 0.01 0.00 0.00 42.46 40.64 1udl s ILE 59 CO 0.15 0.55 0.02 0.21 0.00 0.00 0.00 174.94 175.87 1udl s ASN 60 N 0.81 4.86 -0.04 3.58 3.04 -1.22 -0.48 114.94 125.50 1udl s ASN 60 Ca -0.07 -1.47 -0.29 0.00 0.04 0.00 0.00 52.86 51.06 1udl s ASN 60 Cb -0.16 -1.70 -0.08 0.00 -1.54 0.00 0.00 41.25 37.78 1udl s ASN 60 CO -0.02 -0.30 2.01 -0.69 -3.04 0.00 0.00 177.10 175.06 1udl s VAL 61 N 1.18 3.06 -0.04 -5.21 1.01 -0.29 -3.21 120.40 116.91 1udl s VAL 61 Ca -0.03 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1udl s VAL 61 Cb -0.20 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1udl s VAL 61 CO -0.03 -0.01 -0.02 1.15 0.00 0.00 0.00 175.10 176.18 1udl n MET 62 N 7.83 1.02 -3.82 2.72 0.00 0.64 -1.02 117.12 124.49 1udl n MET 62 Ca 0.22 0.02 -0.29 0.00 0.00 0.00 0.00 57.70 57.65 1udl n MET 62 Cb 0.42 -1.08 -0.13 0.00 0.00 0.00 0.00 33.22 32.43 1udl n MET 62 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1udl s ASN 63 N -4.13 4.11 -0.38 3.17 2.47 -1.13 -4.57 114.94 114.48 1udl s ASN 63 Ca -0.05 -3.32 0.07 0.00 0.42 0.00 0.00 52.86 49.99 1udl s ASN 63 Cb 0.01 -1.40 0.69 0.00 -1.45 0.00 0.00 41.25 39.11 1udl s ASN 63 CO 0.11 -0.17 1.83 2.29 -3.72 0.00 0.00 177.10 177.44 1udl n LYS 64 N 2.66 2.89 -0.25 0.43 2.85 -1.26 -1.89 118.16 123.59 1udl n LYS 64 Ca 0.15 -3.06 0.07 0.00 -1.05 0.00 0.00 58.31 54.42 1udl n LYS 64 Cb 0.35 -2.16 0.15 0.00 -0.65 0.00 0.00 35.03 32.72 1udl n LYS 64 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1udl n ASP 65 N -0.70 -0.18 -4.76 -5.58 -0.08 -1.26 -3.99 116.55 100.00 1udl n ASP 65 Ca 0.49 1.22 -0.36 0.00 -1.51 0.00 0.00 54.79 54.62 1udl n ASP 65 Cb 1.49 -0.40 -0.07 0.00 2.34 0.00 0.00 41.12 44.47 1udl n ASP 65 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1udl s ASP 66 N -5.10 6.31 0.00 1.67 1.11 -1.26 -4.97 116.67 114.43 1udl s ASP 66 Ca -0.10 0.36 0.14 0.00 0.18 0.00 0.00 52.55 53.13 1udl s ASP 66 Cb 0.20 -2.11 0.65 0.00 1.07 0.00 0.00 42.92 42.73 1udl s ASP 66 CO 0.55 0.22 1.44 -0.81 1.18 0.00 0.00 175.17 177.75 1udl n PRO 67 N 3.15 0.07 -0.07 8.23 -0.04 -1.26 -2.99 135.00 142.08 1udl n PRO 67 Ca -0.16 0.22 -0.22 0.00 -0.04 0.00 0.00 63.50 63.30 1udl n PRO 67 Cb 0.53 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.36 1udl n PRO 67 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1udl n ASP 68 N -1.43 1.97 -4.31 3.54 9.92 -1.26 -4.72 116.55 120.26 1udl n ASP 68 Ca 0.05 0.30 -0.30 0.00 -0.53 0.00 0.00 54.79 54.31 1udl n ASP 68 Cb 0.15 -0.88 -0.15 0.00 -0.64 0.00 0.00 41.12 39.60 1udl n ASP 68 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1udl s TRP 69 N -2.46 2.21 0.18 1.24 0.52 -1.16 -0.27 118.94 119.21 1udl s TRP 69 Ca -0.28 -0.41 0.09 0.00 0.02 0.00 0.00 56.10 55.52 1udl s TRP 69 Cb 0.07 -1.37 -0.04 0.00 -1.15 0.00 0.00 33.47 30.98 1udl s TRP 69 CO 0.64 0.05 -0.18 -1.58 0.02 0.00 0.00 176.95 175.91 1udl s TRP 70 N -0.71 1.85 -0.16 -1.98 0.51 0.71 -4.02 118.94 115.16 1udl s TRP 70 Ca 0.10 -0.47 0.00 0.00 -2.12 0.00 0.00 56.10 53.61 1udl s TRP 70 Cb -0.10 -0.90 -0.00 0.00 -0.81 0.00 0.00 33.47 31.66 1udl s TRP 70 CO 0.01 0.38 -0.15 -1.14 -0.51 0.00 0.00 176.95 175.53 1udl s GLN 71 N -3.03 3.21 0.27 4.98 0.74 -0.79 -2.58 119.66 122.45 1udl s GLN 71 Ca 0.19 -0.75 0.02 0.00 0.05 0.00 0.00 55.36 54.87 1udl s GLN 71 Cb -0.05 -2.62 -0.05 0.00 1.10 0.00 0.00 33.01 31.39 1udl s GLN 71 CO 0.07 0.01 0.06 0.20 -0.55 0.00 0.00 175.29 175.08 1udl s GLY 72 N 0.83 1.76 0.24 2.59 0.00 -1.26 -0.26 107.32 111.22 1udl s GLY 72 Ca -0.05 -1.88 0.10 0.00 0.00 0.00 0.00 44.72 42.89 1udl s GLY 72 CO -0.00 -1.67 -0.12 -1.83 0.00 0.00 0.00 173.10 169.48 1udl s GLU 73 N -3.95 1.92 -0.27 2.90 -1.05 -1.20 -3.61 118.70 113.44 1udl s GLU 73 Ca 0.35 -1.52 0.00 0.00 -0.15 0.00 0.00 54.97 53.65 1udl s GLU 73 Cb 0.07 -1.98 0.16 0.00 -0.44 0.00 0.00 34.13 31.94 1udl s GLU 73 CO 0.13 0.37 0.44 0.42 0.95 0.00 0.00 175.26 177.57 1udl s ILE 74 N -2.15 -0.70 -1.40 1.83 1.01 0.15 -3.37 121.20 116.57 1udl s ILE 74 Ca 0.28 -0.15 -0.08 0.00 0.00 0.00 0.00 60.65 60.70 1udl s ILE 74 Cb -0.07 -0.93 0.04 0.00 0.01 0.00 0.00 42.46 41.51 1udl s ILE 74 CO 0.16 -0.16 1.01 0.59 0.00 0.00 0.00 174.94 176.53 1udl n ASN 75 N 5.37 -4.43 -0.00 3.58 3.02 -1.26 -1.02 115.26 120.52 1udl n ASN 75 Ca -0.01 -0.69 -0.00 0.00 -0.03 0.00 0.00 54.58 53.85 1udl n ASN 75 Cb 0.50 -4.44 -0.00 0.00 -0.61 0.00 0.00 39.78 35.23 1udl n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1udl n GLY 76 N -1.72 0.47 3.48 7.41 0.00 -1.26 -5.03 105.19 108.54 1udl n GLY 76 Ca -0.06 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 1udl n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1udl s VAL 77 N -2.00 3.69 0.07 1.61 0.11 -0.19 -5.11 120.40 118.58 1udl s VAL 77 Ca 0.00 -0.44 0.09 0.00 -2.93 0.00 0.00 61.98 58.71 1udl s VAL 77 Cb 0.00 -2.59 -0.03 0.00 -1.53 0.00 0.00 36.38 32.23 1udl s VAL 77 CO 0.00 0.52 -0.25 0.42 -3.33 0.00 0.00 175.10 172.45 1udl s THR 78 N 0.19 2.05 0.00 5.04 -4.23 -1.26 0.31 115.64 117.73 1udl s THR 78 Ca -0.03 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1udl s THR 78 Cb -0.14 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 71.92 1udl s THR 78 CO 0.03 0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 1udl n GLY 79 N 1.52 3.27 3.00 3.99 0.00 -1.24 -4.82 105.19 110.90 1udl n GLY 79 Ca -0.17 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 1udl n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1udl s LEU 80 N 0.00 2.16 -0.06 0.99 1.43 -1.22 -4.43 118.68 117.56 1udl s LEU 80 Ca 0.00 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.44 1udl s LEU 80 Cb 0.00 -0.11 0.10 0.00 0.03 0.00 0.00 46.19 46.21 1udl s LEU 80 CO 0.00 -0.14 0.82 0.72 0.23 0.00 0.00 176.35 177.98 1udl s PHE 81 N -0.93 -0.49 0.46 0.29 -0.12 -1.07 -1.04 117.98 115.10 1udl s PHE 81 Ca -0.07 0.70 -0.23 0.00 -0.05 0.00 0.00 56.93 57.28 1udl s PHE 81 Cb -0.07 0.46 -0.07 0.00 -0.63 0.00 0.00 43.02 42.71 1udl s PHE 81 CO -0.00 -0.53 1.16 -1.25 -0.05 0.00 0.00 175.22 174.55 1udl s PRO 82 N -1.79 3.74 0.00 1.99 0.04 -1.26 -0.20 135.00 137.51 1udl s PRO 82 Ca -0.04 1.76 0.09 0.00 0.04 0.00 0.00 61.00 62.85 1udl s PRO 82 Cb -0.00 -2.38 0.53 0.00 0.04 0.00 0.00 34.50 32.68 1udl s PRO 82 CO 0.01 -0.57 1.19 -1.13 0.04 0.00 0.00 177.00 176.54 1udl n SER 83 N -0.53 0.00 -0.35 6.66 3.41 0.63 -2.40 113.62 121.05 1udl n SER 83 Ca 0.07 -1.36 0.08 0.00 -0.26 0.00 0.00 58.87 57.41 1udl n SER 83 Cb 0.48 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.42 1udl n SER 83 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1udl n ASN 84 N -0.67 1.60 -0.96 4.04 6.94 -1.26 -4.25 115.26 120.69 1udl n ASN 84 Ca 0.07 -1.30 0.11 0.00 -0.02 0.00 0.00 54.58 53.44 1udl n ASN 84 Cb 0.03 0.52 0.14 0.00 -2.36 0.00 0.00 39.78 38.11 1udl n ASN 84 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1udl n TYR 85 N -0.22 0.23 -4.13 -2.53 4.02 -1.01 -4.95 117.16 108.57 1udl n TYR 85 Ca 0.07 -0.13 -0.16 0.00 -0.01 0.00 0.00 57.90 57.67 1udl n TYR 85 Cb 0.35 -0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.55 1udl n TYR 85 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1udl s VAL 86 N -1.60 0.87 -0.03 -0.72 -7.23 -1.26 -0.36 120.40 110.07 1udl s VAL 86 Ca 0.30 -1.23 0.01 0.00 -1.81 0.00 0.00 61.98 59.26 1udl s VAL 86 Cb 0.19 -0.90 0.01 0.00 0.56 0.00 0.00 36.38 36.25 1udl s VAL 86 CO 0.28 -0.30 -0.05 -0.75 -0.31 0.00 0.00 175.10 173.96 1udl s LYS 87 N -1.72 0.75 0.05 4.82 2.36 -0.62 -4.89 119.74 120.48 1udl s LYS 87 Ca -0.05 -0.14 -0.36 0.00 -2.55 0.00 0.00 55.97 52.86 1udl s LYS 87 Cb -0.10 -0.75 -0.16 0.00 -1.05 0.00 0.00 37.83 35.78 1udl s LYS 87 CO 0.01 -0.01 1.45 -1.33 1.55 0.00 0.00 175.35 177.02 1udl n MET 88 N 3.71 1.39 -0.08 4.03 2.81 -1.26 -1.51 117.12 126.21 1udl n MET 88 Ca -0.22 0.50 -0.10 0.00 -1.81 0.00 0.00 57.70 56.07 1udl n MET 88 Cb 0.53 -2.18 0.04 0.00 -0.71 0.00 0.00 33.22 30.89 1udl n MET 88 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1udl h THR 89 N 3.67 1.28 -1.89 2.03 1.35 -1.82 -3.46 112.91 114.08 1udl h THR 89 Ca -0.47 -1.54 -0.32 0.00 -0.55 0.00 0.00 66.41 63.53 1udl h THR 89 Cb 1.31 1.42 -0.04 0.00 -1.73 0.00 0.00 68.15 69.11 1udl h THR 89 CO 0.83 0.50 -0.38 0.41 -0.25 0.00 0.00 175.52 176.63 1udl n THR 90 N -4.05 -0.57 -2.36 6.82 -1.04 -1.26 -4.94 114.28 106.88 1udl n THR 90 Ca -0.02 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.56 1udl n THR 90 Cb 0.52 -2.19 -0.02 0.00 -1.82 0.00 0.00 70.33 66.82 1udl n THR 90 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1udl s ASP 91 N -2.42 6.62 0.23 8.00 -4.77 -1.26 -5.01 116.67 118.06 1udl s ASP 91 Ca 0.00 1.29 -0.04 0.00 -3.30 0.00 0.00 52.55 50.50 1udl s ASP 91 Cb 0.00 -2.54 -0.05 0.00 -1.09 0.00 0.00 42.92 39.24 1udl s ASP 91 CO 0.00 -1.11 0.48 -0.94 0.70 0.00 0.00 175.17 174.30 1udl s SER 92 N 3.04 6.46 0.06 2.11 1.04 -1.26 -5.01 113.70 120.15 1udl s SER 92 Ca 0.59 0.64 -0.37 0.00 0.48 0.00 0.00 55.95 57.29 1udl s SER 92 Cb -0.18 -2.11 -0.19 0.00 0.10 0.00 0.00 66.02 63.64 1udl s SER 92 CO 0.24 -0.09 1.02 -0.24 0.98 0.00 0.00 173.24 175.15 1udl n SER 93 N -0.55 0.13 0.00 7.02 2.88 -1.26 -4.93 113.62 116.91 1udl n SER 93 Ca -0.02 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1udl n SER 93 Cb 0.53 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 1udl n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1udl n GLY 94 N 1.76 -0.41 3.65 0.46 0.00 -1.26 -4.95 105.19 104.44 1udl n GLY 94 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1udl n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1udl s PRO 95 N -0.42 4.07 -0.59 1.61 0.04 -1.26 -4.91 135.00 133.54 1udl s PRO 95 Ca 0.00 1.90 0.01 0.00 0.04 0.00 0.00 61.00 62.95 1udl s PRO 95 Cb 0.00 -3.95 0.43 0.00 0.04 0.00 0.00 34.50 31.02 1udl s PRO 95 CO 0.00 -0.96 1.74 0.45 0.04 0.00 0.00 177.00 178.27 1udl n SER 96 N 7.44 6.72 -4.72 6.66 2.88 -1.26 -5.02 113.62 126.31 1udl n SER 96 Ca 0.17 -3.78 -0.42 0.00 -1.33 0.00 0.00 58.87 53.51 1udl n SER 96 Cb 0.44 -0.79 -0.03 0.00 -0.75 0.00 0.00 64.21 63.08 1udl n SER 96 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1udl s SER 97 N -2.28 6.41 0.00 -3.46 0.15 -1.26 -5.31 113.70 107.95 1udl s SER 97 Ca 0.57 2.83 0.00 0.00 0.70 0.00 0.00 55.95 60.05 1udl s SER 97 Cb 0.46 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 1udl s SER 97 CO -0.10 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.00