#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udl n SER 2 N 0.00 -1.34 -4.57 1.61 3.41 -1.26 -4.73 113.62 106.74 1udl n SER 2 Ca 0.00 -1.24 -0.26 0.00 -0.26 0.00 0.00 58.87 57.11 1udl n SER 2 Cb 0.00 -1.70 -0.06 0.00 -0.26 0.00 0.00 64.21 62.19 1udl n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1udl s SER 3 N -3.51 4.97 0.00 4.04 0.15 -1.26 -4.32 113.70 113.77 1udl s SER 3 Ca 0.65 -1.17 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1udl s SER 3 Cb -0.38 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.36 1udl s SER 3 CO 1.01 -3.05 0.00 0.61 1.20 0.00 0.00 173.24 173.02 1udl n GLY 4 N 6.29 -0.35 3.18 9.45 0.00 -1.26 -5.08 105.19 117.41 1udl n GLY 4 Ca 0.43 0.09 -0.34 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.00 3.48 -0.22 1.61 1.04 -1.26 -5.00 113.70 109.34 1udl s SER 5 Ca 0.00 -0.57 -0.16 0.00 0.48 0.00 0.00 55.95 55.70 1udl s SER 5 Cb 0.00 -1.55 -0.11 0.00 0.10 0.00 0.00 66.02 64.46 1udl s SER 5 CO 0.00 -0.00 -0.21 -0.24 0.98 0.00 0.00 173.24 173.77 1udl n SER 6 N 4.63 1.91 0.00 7.02 2.88 -1.26 -5.05 113.62 123.75 1udl n SER 6 Ca -0.20 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1udl n SER 6 Cb 0.50 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 1udl n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1udl n GLY 7 N 1.40 0.92 3.43 0.46 0.00 -1.26 -5.08 105.19 105.06 1udl n GLY 7 Ca -0.32 -0.58 -0.44 0.00 0.00 0.00 0.00 46.02 44.68 1udl n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1udl s GLN 8 N -0.12 3.11 0.38 1.61 -1.52 -1.26 -5.04 119.66 116.82 1udl s GLN 8 Ca 0.00 -0.99 -0.12 0.00 -1.95 0.00 0.00 55.36 52.29 1udl s GLN 8 Cb 0.00 -4.19 -0.07 0.00 -0.22 0.00 0.00 33.01 28.53 1udl s GLN 8 CO 0.00 -1.51 0.77 0.15 -0.25 0.00 0.00 175.29 174.45 1udl s LYS 9 N 3.09 3.86 0.00 2.91 -0.14 -1.26 -4.95 119.74 123.26 1udl s LYS 9 Ca 0.17 0.56 -0.04 0.00 -1.36 0.00 0.00 55.97 55.30 1udl s LYS 9 Cb -0.20 -2.39 -0.16 0.00 -1.68 0.00 0.00 37.83 33.40 1udl s LYS 9 CO 0.10 0.02 2.76 0.41 -0.76 0.00 0.00 175.35 177.88 1udl n GLY 10 N -0.99 2.59 3.17 -3.33 0.00 -1.26 -4.79 105.19 100.57 1udl n GLY 10 Ca 0.03 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 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 0.93 2.71 -0.35 1.61 -0.11 -1.26 -5.09 118.94 117.39 1udl s TRP 11 Ca 0.40 -1.40 0.03 0.00 1.22 0.00 0.00 56.10 56.35 1udl s TRP 11 Cb 0.19 -1.85 0.10 0.00 -1.50 0.00 0.00 33.47 30.41 1udl s TRP 11 CO 0.00 -0.65 0.08 0.12 -4.62 0.00 0.00 176.95 171.88 1udl s PHE 12 N 0.96 3.20 0.18 5.86 5.36 -1.26 -5.12 117.98 127.15 1udl s PHE 12 Ca -0.03 -2.71 -0.03 0.00 -0.96 0.00 0.00 56.93 53.19 1udl s PHE 12 Cb -0.15 -2.61 0.04 0.00 -0.34 0.00 0.00 43.02 39.96 1udl s PHE 12 CO -0.05 -0.91 0.16 -0.35 -1.46 0.00 0.00 175.22 172.60 1udl n PRO 13 N 4.29 -1.32 -0.87 10.12 -0.04 -1.26 -4.90 135.00 141.02 1udl n PRO 13 Ca 0.03 -0.25 -0.16 0.00 -0.04 0.00 0.00 63.50 63.08 1udl n PRO 13 Cb 0.41 -0.23 0.04 0.00 -0.04 0.00 0.00 33.50 33.68 1udl n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1udl n ALA 14 N -3.27 5.03 -2.43 0.55 0.00 -1.26 -4.89 120.51 114.25 1udl n ALA 14 Ca -0.03 -1.64 -0.31 0.00 0.00 0.00 0.00 53.44 51.47 1udl n ALA 14 Cb 0.08 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.04 1udl n ALA 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1udl s SER 15 N 0.15 3.63 -0.27 0.00 0.15 -1.26 -5.09 113.70 111.01 1udl s SER 15 Ca 0.31 -0.47 -0.29 0.00 0.70 0.00 0.00 55.95 56.20 1udl s SER 15 Cb 0.24 -0.52 -0.00 0.00 -1.71 0.00 0.00 66.02 64.03 1udl s SER 15 CO -0.00 0.26 1.30 -2.28 1.20 0.00 0.00 173.24 173.71 1udl s HIS 16 N -0.89 2.71 -0.03 3.44 2.46 -1.26 -5.01 115.29 116.71 1udl s HIS 16 Ca 0.14 0.90 0.00 0.00 0.47 0.00 0.00 55.06 56.57 1udl s HIS 16 Cb -0.10 -3.81 -0.04 0.00 -0.13 0.00 0.00 32.58 28.51 1udl s HIS 16 CO 0.04 -1.73 0.01 0.08 -2.47 0.00 0.00 174.74 170.68 1udl s VAL 17 N 4.18 4.26 -0.30 0.89 1.01 -1.26 -5.03 120.40 124.15 1udl s VAL 17 Ca 0.56 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 62.16 1udl s VAL 17 Cb -0.18 -2.87 0.46 0.00 0.00 0.00 0.00 36.38 33.79 1udl s VAL 17 CO 0.21 0.45 1.17 0.29 0.00 0.00 0.00 175.10 177.22 1udl n LYS 18 N 1.61 3.41 -2.91 2.72 4.01 -1.26 -5.00 118.16 120.74 1udl n LYS 18 Ca -0.16 -4.13 -0.43 0.00 -0.51 0.00 0.00 58.31 53.08 1udl n LYS 18 Cb 0.53 -2.21 -0.04 0.00 -0.51 0.00 0.00 35.03 32.80 1udl n LYS 18 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1udl s LEU 19 N -3.61 4.55 -0.24 -0.35 1.98 -1.26 -5.02 118.68 114.73 1udl s LEU 19 Ca 0.48 -1.02 -0.23 0.00 -2.89 0.00 0.00 54.13 50.47 1udl s LEU 19 Cb 0.40 -2.43 -0.01 0.00 0.66 0.00 0.00 46.19 44.81 1udl s LEU 19 CO 0.01 -1.36 0.77 -1.48 -1.89 0.00 0.00 176.35 172.41 1udl s LEU 20 N 3.79 4.08 0.00 -0.68 2.34 -1.26 -4.98 118.68 121.97 1udl s LEU 20 Ca 0.21 0.94 0.00 0.00 0.06 0.00 0.00 54.13 55.34 1udl s LEU 20 Cb -0.18 -3.09 0.00 0.00 -0.56 0.00 0.00 46.19 42.36 1udl s LEU 20 CO 0.10 -0.47 0.00 0.61 -1.06 0.00 0.00 176.35 175.54 1udl n GLY 21 N 3.86 2.84 3.56 -3.48 0.00 -1.26 -5.09 105.19 105.62 1udl n GLY 21 Ca 0.04 -0.73 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 1udl n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1udl s PRO 22 N -2.00 2.73 -0.54 1.61 0.04 -1.26 -4.93 135.00 130.66 1udl s PRO 22 Ca 0.00 0.71 -0.27 0.00 0.04 0.00 0.00 61.00 61.49 1udl s PRO 22 Cb 0.00 -4.36 -0.02 0.00 0.04 0.00 0.00 34.50 30.16 1udl s PRO 22 CO 0.00 -2.60 1.88 0.45 0.04 0.00 0.00 177.00 176.77 1udl s SER 23 N 7.76 5.36 -0.32 6.66 0.15 -1.26 -4.94 113.70 127.11 1udl s SER 23 Ca 0.69 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.94 1udl s SER 23 Cb -0.14 -2.53 0.07 0.00 -1.71 0.00 0.00 66.02 61.72 1udl s SER 23 CO 0.23 -2.26 0.02 -0.44 1.20 0.00 0.00 173.24 171.99 1udl s SER 24 N 7.89 4.84 -0.12 5.45 0.01 -1.26 -5.09 113.70 125.43 1udl s SER 24 Ca 0.72 -1.57 0.03 0.00 1.31 0.00 0.00 55.95 56.44 1udl s SER 24 Cb -0.15 -1.68 0.00 0.00 0.21 0.00 0.00 66.02 64.40 1udl s SER 24 CO 0.24 -0.31 -0.22 -1.83 0.41 0.00 0.00 173.24 171.53 1udl s GLU 25 N 1.14 3.08 -0.01 12.44 -1.05 -1.26 -5.12 118.70 127.92 1udl s GLU 25 Ca -0.01 -0.85 -0.01 0.00 -0.15 0.00 0.00 54.97 53.95 1udl s GLU 25 Cb -0.20 -2.38 -0.04 0.00 -0.44 0.00 0.00 34.13 31.07 1udl s GLU 25 CO -0.04 0.12 0.10 -0.98 0.95 0.00 0.00 175.26 175.42 1udl s ARG 26 N 0.50 3.16 0.37 -4.83 1.70 -1.26 -5.11 118.95 113.48 1udl s ARG 26 Ca -0.14 -0.44 -0.14 0.00 -0.47 0.00 0.00 55.73 54.54 1udl s ARG 26 Cb -0.17 -2.92 -0.08 0.00 -0.57 0.00 0.00 34.95 31.21 1udl s ARG 26 CO 0.05 0.66 0.78 0.00 -1.08 0.00 0.00 175.30 175.71 1udl s ALA 27 N -1.21 3.29 -0.04 7.88 0.00 -1.26 -5.09 121.76 125.33 1udl s ALA 27 Ca 0.23 0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.24 1udl s ALA 27 Cb -0.12 -2.81 -0.00 0.00 0.00 0.00 0.00 23.12 20.19 1udl s ALA 27 CO 0.14 0.17 -0.17 0.95 0.00 0.00 0.00 175.76 176.85 1udl s THR 28 N -2.17 1.40 0.21 0.00 -4.23 -1.26 -5.02 115.64 104.57 1udl s THR 28 Ca 0.54 -0.70 0.25 0.00 -1.18 0.00 0.00 61.69 60.60 1udl s THR 28 Cb -0.10 -1.21 0.24 0.00 1.34 0.00 0.00 72.50 72.78 1udl s THR 28 CO 0.22 0.41 1.89 1.55 -0.54 0.00 0.00 174.62 178.15 1udl h PRO 29 N 6.26 0.00 -3.58 3.99 0.13 -2.05 -3.36 132.00 133.40 1udl h PRO 29 Ca -0.33 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 64.04 1udl h PRO 29 Cb 1.17 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.00 1udl h PRO 29 CO 0.48 0.21 0.12 0.00 -0.23 0.00 0.00 178.00 178.58 1udl s ALA 30 N -3.79 4.30 0.13 -0.56 0.00 -1.26 -5.04 121.76 115.55 1udl s ALA 30 Ca -0.00 -3.64 0.07 0.00 0.00 0.00 0.00 51.96 48.39 1udl s ALA 30 Cb 0.11 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1udl s ALA 30 CO 0.62 -2.20 -0.04 -0.59 0.00 0.00 0.00 175.76 173.55 1udl s PHE 31 N -0.76 2.82 -0.26 0.00 -0.12 -1.26 -5.11 117.98 113.28 1udl s PHE 31 Ca 0.25 -0.13 0.01 0.00 -0.05 0.00 0.00 56.93 57.01 1udl s PHE 31 Cb -0.11 -1.42 0.07 0.00 -0.63 0.00 0.00 43.02 40.94 1udl s PHE 31 CO -0.09 0.48 -0.01 -1.01 -0.05 0.00 0.00 175.22 174.54 1udl s HIS 32 N -1.46 2.49 0.98 3.49 3.76 -1.26 -5.13 115.29 118.16 1udl s HIS 32 Ca 0.25 -1.94 -0.12 0.00 -0.15 0.00 0.00 55.06 53.10 1udl s HIS 32 Cb -0.10 -1.81 0.18 0.00 1.11 0.00 0.00 32.58 31.96 1udl s HIS 32 CO 0.17 -0.82 1.09 -1.25 -0.85 0.00 0.00 174.74 173.08 1udl s PRO 33 N 1.36 0.56 -0.10 8.40 0.04 -1.26 -4.99 135.00 139.01 1udl s PRO 33 Ca -0.01 0.58 0.06 0.00 0.04 0.00 0.00 61.00 61.68 1udl s PRO 33 Cb -0.19 -1.75 -0.24 0.00 0.04 0.00 0.00 34.50 32.37 1udl s PRO 33 CO -0.09 -2.66 0.43 1.55 0.04 0.00 0.00 177.00 176.27 1udl n VAL 34 N -4.13 1.63 -3.82 -0.36 3.14 -0.00 -4.99 118.33 109.80 1udl n VAL 34 Ca 0.06 -0.74 -0.04 0.00 -2.96 0.00 0.00 64.34 60.65 1udl n VAL 34 Cb 0.57 -1.22 0.00 0.00 -1.06 0.00 0.00 33.84 32.14 1udl n VAL 34 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1udl s GLN 36 N -2.72 2.80 0.37 0.00 0.74 -1.26 -1.72 119.66 117.86 1udl s GLN 36 Ca 0.17 -0.77 0.08 0.00 0.05 0.00 0.00 55.36 54.88 1udl s GLN 36 Cb -0.03 -2.28 -0.07 0.00 1.10 0.00 0.00 33.01 31.74 1udl s GLN 36 CO 0.05 -0.02 -0.03 0.14 -0.55 0.00 0.00 175.29 174.88 1udl s VAL 37 N 0.85 1.98 -0.03 1.34 -7.23 -0.92 -2.66 120.40 113.73 1udl s VAL 37 Ca -0.07 -2.08 0.05 0.00 -1.81 0.00 0.00 61.98 58.07 1udl s VAL 37 Cb -0.15 -2.81 -0.01 0.00 0.56 0.00 0.00 36.38 33.96 1udl s VAL 37 CO -0.01 -0.10 -0.19 -0.51 -0.31 0.00 0.00 175.10 173.98 1udl s ILE 38 N -2.75 1.57 0.13 -0.62 2.07 -0.12 -3.73 121.20 117.74 1udl s ILE 38 Ca 0.34 -0.82 -0.31 0.00 -1.41 0.00 0.00 60.65 58.45 1udl s ILE 38 Cb 0.07 -1.32 -0.09 0.00 0.13 0.00 0.00 42.46 41.24 1udl s ILE 38 CO 0.17 0.45 1.54 0.00 -1.91 0.00 0.00 174.94 175.18 1udl s ALA 39 N -0.21 3.71 0.01 1.50 0.00 -1.26 -0.49 121.76 125.03 1udl s ALA 39 Ca 0.01 1.26 0.06 0.00 0.00 0.00 0.00 51.96 53.29 1udl s ALA 39 Cb -0.10 -3.62 -0.24 0.00 0.00 0.00 0.00 23.12 19.16 1udl s ALA 39 CO 0.01 -0.82 0.87 0.52 0.00 0.00 0.00 175.76 176.34 1udl h MET 40 N 7.17 0.08 -3.62 0.00 0.00 -1.50 -2.06 114.93 115.01 1udl h MET 40 Ca -0.42 -0.14 -0.23 0.00 0.00 0.00 0.00 59.70 58.91 1udl h MET 40 Cb 1.20 0.05 -0.28 0.00 0.00 0.00 0.00 31.60 32.57 1udl h MET 40 CO 0.91 0.84 -0.68 0.71 0.00 0.00 0.00 176.91 178.69 1udl s TYR 41 N -2.63 -0.04 0.03 -0.22 2.02 -1.26 -4.86 117.35 110.38 1udl s TYR 41 Ca -0.05 0.12 -0.37 0.00 -0.37 0.00 0.00 57.07 56.39 1udl s TYR 41 Cb 0.08 -0.01 -0.16 0.00 -0.40 0.00 0.00 41.96 41.47 1udl s TYR 41 CO 0.83 -0.03 1.44 -3.47 -1.57 0.00 0.00 175.55 172.75 1udl n ASP 42 N 3.18 1.93 -4.50 2.29 -0.08 -1.26 -4.50 116.55 113.61 1udl n ASP 42 Ca -0.14 1.11 -0.33 0.00 -1.51 0.00 0.00 54.79 53.91 1udl n ASP 42 Cb 0.59 -1.21 -0.12 0.00 2.34 0.00 0.00 41.12 42.72 1udl n ASP 42 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1udl s TYR 43 N 1.11 2.85 -0.31 -0.67 6.14 0.11 -4.87 117.35 121.72 1udl s TYR 43 Ca 0.86 -0.20 0.03 0.00 0.64 0.00 0.00 57.07 58.40 1udl s TYR 43 Cb -0.94 -1.74 0.09 0.00 0.42 0.00 0.00 41.96 39.78 1udl s TYR 43 CO 0.49 0.14 0.01 0.00 0.64 0.00 0.00 175.55 176.83 1udl s ALA 44 N -0.41 2.51 -0.12 3.97 0.00 -1.26 -0.48 121.76 125.97 1udl s ALA 44 Ca 0.05 -2.10 -0.29 0.00 0.00 0.00 0.00 51.96 49.62 1udl s ALA 44 Cb -0.12 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1udl s ALA 44 CO 0.02 -1.52 1.65 0.00 0.00 0.00 0.00 175.76 175.91 1udl s ALA 45 N 1.11 3.47 0.46 0.00 0.00 -1.25 -4.86 121.76 120.69 1udl s ALA 45 Ca 0.05 0.76 0.34 0.00 0.00 0.00 0.00 51.96 53.11 1udl s ALA 45 Cb -0.19 -3.79 1.79 0.00 0.00 0.00 0.00 23.12 20.93 1udl s ALA 45 CO -0.10 -1.62 2.17 -0.91 0.00 0.00 0.00 175.76 175.31 1udl h ASN 46 N 10.07 0.00 -3.36 0.00 2.35 -1.93 -3.45 115.58 119.26 1udl h ASN 46 Ca -0.37 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.22 1udl h ASN 46 Cb 1.17 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.51 1udl h ASN 46 CO 0.97 0.05 0.03 -0.46 -1.65 0.00 0.00 177.43 176.37 1udl n ASN 47 N -3.39 -1.61 0.01 5.81 0.23 -1.26 -5.04 115.26 110.01 1udl n ASN 47 Ca -0.02 -2.61 0.02 0.00 -0.53 0.00 0.00 54.58 51.44 1udl n ASN 47 Cb 0.18 2.83 0.37 0.00 -2.08 0.00 0.00 39.78 41.09 1udl n ASN 47 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1udl h GLU 48 N 0.00 0.52 -0.94 -3.83 5.08 -2.01 -2.22 114.58 111.17 1udl h GLU 48 Ca -0.27 -0.06 0.20 0.00 -1.00 0.00 0.00 59.36 58.23 1udl h GLU 48 Cb 1.10 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 30.18 1udl h GLU 48 CO 0.36 0.43 0.61 -0.44 -1.00 0.00 0.00 179.01 178.97 1udl h ASP 49 N 0.52 0.52 -1.55 1.42 5.19 -1.96 -3.42 116.42 117.15 1udl h ASP 49 Ca 0.13 0.06 -0.43 0.00 -0.62 0.00 0.00 57.03 56.16 1udl h ASP 49 Cb 0.11 -0.04 0.03 0.00 0.18 0.00 0.00 39.33 39.61 1udl h ASP 49 CO -0.01 0.20 -0.19 -1.61 -3.12 0.00 0.00 179.24 174.51 1udl s GLU 50 N -5.56 2.68 -0.17 3.56 2.02 -0.84 -3.22 118.70 117.17 1udl s GLU 50 Ca -0.09 -1.22 -0.03 0.00 0.02 0.00 0.00 54.97 53.66 1udl s GLU 50 Cb 0.23 -2.69 -0.02 0.00 0.10 0.00 0.00 34.13 31.76 1udl s GLU 50 CO 0.79 -0.46 -0.07 -1.17 0.02 0.00 0.00 175.26 174.37 1udl s LEU 51 N -4.48 2.96 -0.34 1.80 0.20 -1.16 -4.52 118.68 113.13 1udl s LEU 51 Ca 0.57 -0.28 -0.15 0.00 0.69 0.00 0.00 54.13 54.95 1udl s LEU 51 Cb -0.09 -1.71 -0.01 0.00 -0.43 0.00 0.00 46.19 43.94 1udl s LEU 51 CO 0.35 0.10 0.35 -0.94 -0.29 0.00 0.00 176.35 175.92 1udl s SER 52 N 0.76 6.16 0.25 3.68 1.04 -1.26 -3.74 113.70 120.59 1udl s SER 52 Ca -0.03 -0.27 -0.02 0.00 0.48 0.00 0.00 55.95 56.11 1udl s SER 52 Cb -0.15 -2.19 -0.02 0.00 0.10 0.00 0.00 66.02 63.76 1udl s SER 52 CO 0.02 -0.33 0.28 0.72 0.98 0.00 0.00 173.24 174.91 1udl s PHE 53 N 1.98 1.09 0.40 5.02 -0.71 0.37 -4.89 117.98 121.24 1udl s PHE 53 Ca 0.11 -1.28 0.08 0.00 -1.04 0.00 0.00 56.93 54.79 1udl s PHE 53 Cb -0.17 -0.36 -0.05 0.00 -1.21 0.00 0.00 43.02 41.23 1udl s PHE 53 CO 0.11 -0.83 0.15 -1.54 -1.34 0.00 0.00 175.22 171.77 1udl s SER 54 N -3.18 4.39 -0.10 1.98 1.04 -1.26 0.09 113.70 116.66 1udl s SER 54 Ca 0.35 -1.05 -0.30 0.00 0.48 0.00 0.00 55.95 55.43 1udl s SER 54 Cb 0.04 -0.51 -0.07 0.00 0.10 0.00 0.00 66.02 65.58 1udl s SER 54 CO 0.15 -0.47 2.09 1.17 0.98 0.00 0.00 173.24 177.16 1udl n LYS 55 N -1.18 2.38 -0.44 4.02 4.81 -1.26 -1.61 118.16 124.88 1udl n LYS 55 Ca -0.02 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 1udl n LYS 55 Cb 0.64 -3.08 0.00 0.00 0.02 0.00 0.00 35.03 32.61 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 5.16 1.19 3.86 3.14 0.00 -0.77 -4.94 105.19 112.82 1udl n GLY 56 Ca 0.25 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.26 3.32 -0.59 1.61 2.00 -0.63 -4.83 119.66 119.28 1udl s GLN 57 Ca 0.00 0.76 -0.26 0.00 -2.00 0.00 0.00 55.36 53.86 1udl s GLN 57 Cb 0.00 -2.05 0.04 0.00 0.80 0.00 0.00 33.01 31.80 1udl s GLN 57 CO 0.00 -0.77 1.09 -1.17 -0.50 0.00 0.00 175.29 173.94 1udl s LEU 58 N -5.30 3.73 -0.05 3.68 2.96 -1.26 -4.03 118.68 118.40 1udl s LEU 58 Ca 0.56 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 54.31 1udl s LEU 58 Cb -0.12 -2.92 -0.00 0.00 0.50 0.00 0.00 46.19 43.66 1udl s LEU 58 CO 0.54 -1.42 -0.17 -0.63 -1.32 0.00 0.00 176.35 173.35 1udl s ILE 59 N 4.60 1.46 -0.32 6.68 1.01 -1.24 -3.82 121.20 129.56 1udl s ILE 59 Ca 0.36 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.32 1udl s ILE 59 Cb -0.10 -1.26 0.09 0.00 0.01 0.00 0.00 42.46 41.20 1udl s ILE 59 CO 0.21 0.42 0.03 0.20 0.00 0.00 0.00 174.94 175.80 1udl s ASN 60 N 0.15 4.55 -0.04 3.58 0.01 -1.21 -2.17 114.94 119.82 1udl s ASN 60 Ca -0.07 -1.91 -0.33 0.00 -0.71 0.00 0.00 52.86 49.85 1udl s ASN 60 Cb -0.13 -1.48 -0.11 0.00 0.41 0.00 0.00 41.25 39.95 1udl s ASN 60 CO 0.03 -0.35 1.92 0.52 -1.51 0.00 0.00 177.10 177.72 1udl n VAL 61 N 4.39 0.66 -0.10 1.60 0.31 -0.70 -3.65 118.33 120.84 1udl n VAL 61 Ca -0.01 -0.12 -0.13 0.00 -0.01 0.00 0.00 64.34 64.07 1udl n VAL 61 Cb 0.42 -2.05 -0.12 0.00 -0.91 0.00 0.00 33.84 31.18 1udl n VAL 61 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1udl n MET 62 N 7.03 0.78 -3.53 5.55 2.81 0.76 -0.82 117.12 129.69 1udl n MET 62 Ca 0.22 0.08 -0.24 0.00 -1.81 0.00 0.00 57.70 55.94 1udl n MET 62 Cb 0.34 -1.45 -0.14 0.00 -0.71 0.00 0.00 33.22 31.25 1udl n MET 62 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1udl s ASN 63 N -5.80 2.51 -0.53 7.83 2.47 -1.24 -4.40 114.94 115.77 1udl s ASN 63 Ca -0.22 -0.81 0.03 0.00 0.42 0.00 0.00 52.86 52.28 1udl s ASN 63 Cb 0.07 -0.06 0.42 0.00 -1.45 0.00 0.00 41.25 40.23 1udl s ASN 63 CO 0.60 -0.38 1.53 2.29 -3.72 0.00 0.00 177.10 177.41 1udl n LYS 64 N 5.28 3.18 -0.13 0.43 2.85 -1.26 -2.69 118.16 125.81 1udl n LYS 64 Ca -0.06 -3.94 -0.04 0.00 -1.05 0.00 0.00 58.31 53.23 1udl n LYS 64 Cb 0.46 -2.27 0.04 0.00 -0.65 0.00 0.00 35.03 32.61 1udl n LYS 64 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1udl h ASP 65 N 2.43 -0.01 -3.42 -5.58 1.82 -1.95 -3.39 116.42 106.31 1udl h ASP 65 Ca 0.44 0.08 -0.60 0.00 -0.39 0.00 0.00 57.03 56.56 1udl h ASP 65 Cb 0.89 0.11 -0.12 0.00 0.68 0.00 0.00 39.33 40.89 1udl h ASP 65 CO 1.11 0.03 -0.34 -1.81 -1.61 0.00 0.00 179.24 176.62 1udl s ASP 66 N -5.31 6.35 0.00 2.28 1.01 -1.26 -4.95 116.67 114.79 1udl s ASP 66 Ca -0.13 0.40 0.16 0.00 0.71 0.00 0.00 52.55 53.68 1udl s ASP 66 Cb 0.14 -2.17 0.91 0.00 1.01 0.00 0.00 42.92 42.81 1udl s ASP 66 CO 0.72 0.04 1.35 -0.81 0.21 0.00 0.00 175.17 176.68 1udl n PRO 67 N 4.02 0.45 -0.09 8.23 -0.04 -1.26 -2.81 135.00 143.50 1udl n PRO 67 Ca -0.12 0.02 -0.22 0.00 -0.04 0.00 0.00 63.50 63.14 1udl n PRO 67 Cb 0.52 -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 -1.04 2.00 -4.09 3.54 8.00 -1.26 -4.68 116.55 119.01 1udl n ASP 68 Ca 0.11 0.17 -0.19 0.00 0.71 0.00 0.00 54.79 55.59 1udl n ASP 68 Cb 0.06 -0.73 -0.14 0.00 -0.02 0.00 0.00 41.12 40.29 1udl n ASP 68 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1udl s TRP 69 N -2.50 1.04 0.24 1.24 0.52 -1.12 -1.13 118.94 117.23 1udl s TRP 69 Ca -0.31 -0.27 0.07 0.00 0.02 0.00 0.00 56.10 55.60 1udl s TRP 69 Cb 0.09 -0.64 -0.05 0.00 -1.15 0.00 0.00 33.47 31.71 1udl s TRP 69 CO 0.62 -0.00 -0.09 -1.58 0.02 0.00 0.00 176.95 175.92 1udl s TRP 70 N -0.57 1.80 -0.17 -1.98 0.51 0.26 -4.16 118.94 114.63 1udl s TRP 70 Ca 0.02 -0.67 -0.01 0.00 -2.12 0.00 0.00 56.10 53.31 1udl s TRP 70 Cb -0.06 -0.96 -0.01 0.00 -0.81 0.00 0.00 33.47 31.63 1udl s TRP 70 CO 0.00 0.27 -0.11 -1.14 -0.51 0.00 0.00 176.95 175.46 1udl s GLN 71 N -3.71 3.32 0.14 4.98 0.74 -1.10 -2.72 119.66 121.31 1udl s GLN 71 Ca 0.26 -0.69 0.02 0.00 0.05 0.00 0.00 55.36 55.00 1udl s GLN 71 Cb 0.02 -2.75 -0.01 0.00 1.10 0.00 0.00 33.01 31.38 1udl s GLN 71 CO 0.09 0.01 0.05 0.41 -0.55 0.00 0.00 175.29 175.31 1udl n GLY 72 N 4.13 3.79 2.98 2.59 0.00 -1.26 -0.17 105.19 117.25 1udl n GLY 72 Ca -0.19 -1.97 -0.11 0.00 0.00 0.00 0.00 46.02 43.76 1udl n GLY 72 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1udl s GLU 73 N -2.54 0.24 -0.18 1.61 4.04 -1.24 -3.59 118.70 117.04 1udl s GLU 73 Ca 0.08 -0.30 -0.05 0.00 0.04 0.00 0.00 54.97 54.74 1udl s GLU 73 Cb 0.00 0.09 0.07 0.00 0.02 0.00 0.00 34.13 34.32 1udl s GLU 73 CO 0.05 -0.04 0.13 0.42 -1.84 0.00 0.00 175.26 173.98 1udl s ILE 74 N -0.84 -0.15 -1.01 1.83 1.01 0.58 -3.31 121.20 119.31 1udl s ILE 74 Ca -0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 60.65 60.36 1udl s ILE 74 Cb -0.06 -0.60 0.01 0.00 0.01 0.00 0.00 42.46 41.82 1udl s ILE 74 CO -0.00 -0.26 0.87 0.59 0.00 0.00 0.00 174.94 176.14 1udl n ASN 75 N 5.29 -4.24 0.00 3.58 3.02 -1.26 -2.00 115.26 119.65 1udl n ASN 75 Ca -0.07 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 1udl n ASN 75 Cb 0.49 -4.04 0.00 0.00 -0.61 0.00 0.00 39.78 35.62 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 -1.48 0.61 3.88 7.41 0.00 -1.26 -5.00 105.19 109.35 1udl n GLY 76 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.66 5.16 0.08 1.61 0.11 -0.85 -5.12 120.40 118.74 1udl s VAL 77 Ca 0.00 -0.46 0.06 0.00 -2.93 0.00 0.00 61.98 58.65 1udl s VAL 77 Cb 0.00 -3.50 -0.03 0.00 -1.53 0.00 0.00 36.38 31.32 1udl s VAL 77 CO 0.00 0.16 -0.16 0.42 -3.33 0.00 0.00 175.10 172.19 1udl s THR 78 N -1.45 1.29 0.00 5.04 -4.23 -1.26 -0.30 115.64 114.72 1udl s THR 78 Ca 0.32 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 1udl s THR 78 Cb -0.13 -1.21 0.00 0.00 1.34 0.00 0.00 72.50 72.51 1udl s THR 78 CO 0.25 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1udl n GLY 79 N 1.29 3.05 2.82 3.99 0.00 -1.24 -4.88 105.19 110.22 1udl n GLY 79 Ca -0.20 -0.33 -0.15 0.00 0.00 0.00 0.00 46.02 45.34 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 1.43 0.04 0.99 1.43 -1.20 -4.41 118.68 116.96 1udl s LEU 80 Ca 0.00 0.01 -0.16 0.00 -1.03 0.00 0.00 54.13 52.95 1udl s LEU 80 Cb 0.00 -0.09 0.03 0.00 0.03 0.00 0.00 46.19 46.15 1udl s LEU 80 CO 0.00 -0.07 0.35 0.72 0.23 0.00 0.00 176.35 177.58 1udl s PHE 81 N 0.67 -0.18 0.43 0.29 -0.12 -1.10 -2.96 117.98 114.99 1udl s PHE 81 Ca -0.06 0.11 -0.24 0.00 -0.05 0.00 0.00 56.93 56.69 1udl s PHE 81 Cb -0.09 0.15 -0.08 0.00 -0.63 0.00 0.00 43.02 42.38 1udl s PHE 81 CO -0.02 -0.53 1.18 -1.25 -0.05 0.00 0.00 175.22 174.55 1udl s PRO 82 N -2.43 3.91 0.00 1.99 0.04 -1.26 -0.58 135.00 136.66 1udl s PRO 82 Ca -0.06 1.83 0.11 0.00 0.04 0.00 0.00 61.00 62.93 1udl s PRO 82 Cb -0.01 -2.56 0.68 0.00 0.04 0.00 0.00 34.50 32.65 1udl s PRO 82 CO -0.02 -0.44 1.24 -1.13 0.04 0.00 0.00 177.00 176.69 1udl n SER 83 N -0.19 0.00 -0.00 6.66 3.41 -0.29 -2.31 113.62 120.90 1udl n SER 83 Ca 0.06 -1.14 0.10 0.00 -0.26 0.00 0.00 58.87 57.63 1udl n SER 83 Cb 0.47 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.29 1udl n SER 83 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1udl n ASN 84 N -0.74 0.69 -1.31 4.04 3.02 -1.26 -4.16 115.26 115.54 1udl n ASN 84 Ca 0.09 -0.66 0.09 0.00 -0.03 0.00 0.00 54.58 54.06 1udl n ASN 84 Cb 0.04 1.33 0.29 0.00 -0.61 0.00 0.00 39.78 40.83 1udl n ASN 84 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1udl n TYR 85 N -1.74 1.11 -3.86 3.10 4.02 -0.98 -4.90 117.16 113.92 1udl n TYR 85 Ca 0.01 -0.47 -0.11 0.00 -0.01 0.00 0.00 57.90 57.32 1udl n TYR 85 Cb 0.40 -0.14 -0.11 0.00 -0.02 0.00 0.00 39.34 39.47 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 -1.58 0.05 -0.04 -0.72 -7.23 -1.26 -1.20 120.40 108.42 1udl s VAL 86 Ca 0.43 -0.44 0.04 0.00 -1.81 0.00 0.00 61.98 60.19 1udl s VAL 86 Cb 0.26 -0.34 -0.00 0.00 0.56 0.00 0.00 36.38 36.85 1udl s VAL 86 CO 0.23 -0.24 -0.15 -0.75 -0.31 0.00 0.00 175.10 173.88 1udl s LYS 87 N -0.84 1.61 -0.25 4.82 2.20 0.36 -4.88 119.74 122.76 1udl s LYS 87 Ca -0.09 -0.53 -0.33 0.00 -0.36 0.00 0.00 55.97 54.66 1udl s LYS 87 Cb -0.05 -1.40 -0.10 0.00 -1.51 0.00 0.00 37.83 34.77 1udl s LYS 87 CO 0.01 0.20 2.13 -1.33 -0.36 0.00 0.00 175.35 175.99 1udl n MET 88 N 3.24 1.58 -0.26 4.03 2.81 -1.26 -0.94 117.12 126.31 1udl n MET 88 Ca -0.19 0.47 0.02 0.00 -1.81 0.00 0.00 57.70 56.20 1udl n MET 88 Cb 0.53 -2.73 0.15 0.00 -0.71 0.00 0.00 33.22 30.47 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 6.73 0.87 -3.04 2.03 1.35 -1.82 -3.45 112.91 115.57 1udl h THR 89 Ca -0.36 -0.23 -0.22 0.00 -0.55 0.00 0.00 66.41 65.05 1udl h THR 89 Cb 1.29 0.13 -0.04 0.00 -1.73 0.00 0.00 68.15 67.80 1udl h THR 89 CO 0.99 0.12 -0.25 1.07 -0.25 0.00 0.00 175.52 177.20 1udl n THR 90 N -4.81 -0.32 -1.59 6.82 5.66 -1.26 -4.81 114.28 113.96 1udl n THR 90 Ca 0.12 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.79 1udl n THR 90 Cb 0.28 -1.35 0.06 0.00 -1.55 0.00 0.00 70.33 67.76 1udl n THR 90 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1udl n ASP 91 N -1.19 6.99 -4.87 1.09 8.00 -1.26 -4.99 116.55 120.31 1udl n ASP 91 Ca -0.12 -3.78 -0.36 0.00 0.71 0.00 0.00 54.79 51.24 1udl n ASP 91 Cb 0.51 -0.83 -0.06 0.00 -0.02 0.00 0.00 41.12 40.72 1udl n ASP 91 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1udl s SER 92 N -2.18 6.60 -0.25 -2.24 1.04 -1.26 -5.09 113.70 110.32 1udl s SER 92 Ca 0.60 0.71 -0.26 0.00 0.48 0.00 0.00 55.95 57.48 1udl s SER 92 Cb 0.48 -2.15 0.12 0.00 0.10 0.00 0.00 66.02 64.56 1udl s SER 92 CO -0.06 0.27 0.98 -0.44 0.98 0.00 0.00 173.24 174.97 1udl s SER 93 N -1.47 -0.47 0.00 7.02 0.01 -1.26 -5.13 113.70 112.40 1udl s SER 93 Ca 0.26 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.35 1udl s SER 93 Cb -0.14 0.81 0.00 0.00 0.21 0.00 0.00 66.02 66.90 1udl s SER 93 CO 0.14 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1udl n GLY 94 N 1.92 0.30 3.60 3.44 0.00 -1.26 -4.90 105.19 108.29 1udl n GLY 94 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 3.45 0.14 1.61 0.04 -1.26 -4.96 135.00 134.03 1udl s PRO 95 Ca 0.00 1.35 -0.31 0.00 0.04 0.00 0.00 61.00 62.08 1udl s PRO 95 Cb 0.00 -4.14 -0.10 0.00 0.04 0.00 0.00 34.50 30.30 1udl s PRO 95 CO 0.00 -1.71 1.65 0.45 0.04 0.00 0.00 177.00 177.43 1udl s SER 96 N 5.34 6.53 -0.45 6.66 0.15 -1.26 -4.97 113.70 125.70 1udl s SER 96 Ca 0.75 2.65 -0.09 0.00 0.70 0.00 0.00 55.95 59.96 1udl s SER 96 Cb -0.21 -2.58 0.11 0.00 -1.71 0.00 0.00 66.02 61.63 1udl s SER 96 CO 0.33 -0.89 0.31 -0.94 1.20 0.00 0.00 173.24 173.25 1udl s SER 97 N 1.69 5.64 0.00 5.45 1.04 -1.26 -5.29 113.70 120.97 1udl s SER 97 Ca 0.73 -1.83 0.00 0.00 0.48 0.00 0.00 55.95 55.33 1udl s SER 97 Cb -0.44 -1.99 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1udl s SER 97 CO 0.32 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.51