#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uez s SER 2 N 0.00 4.73 -0.30 1.61 0.15 -1.26 -5.02 113.70 113.61 1uez s SER 2 Ca 0.00 -0.37 -0.11 0.00 0.70 0.00 0.00 55.95 56.17 1uez s SER 2 Cb 0.00 -1.83 0.18 0.00 -1.71 0.00 0.00 66.02 62.67 1uez s SER 2 CO 0.00 -0.05 1.04 -0.94 1.20 0.00 0.00 173.24 174.49 1uez s SER 3 N 1.53 -0.45 0.00 5.45 1.04 -1.26 -5.15 113.70 114.87 1uez s SER 3 Ca 0.05 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1uez s SER 3 Cb -0.15 1.31 0.00 0.00 0.10 0.00 0.00 66.02 67.28 1uez s SER 3 CO 0.00 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1uez n GLY 4 N 5.22 4.12 0.00 7.32 0.00 -1.26 -5.20 105.19 115.39 1uez n GLY 4 Ca 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1uez n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uez n SER 5 N 0.00 0.00 -0.65 1.61 2.88 -1.26 -5.16 113.62 111.04 1uez n SER 5 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1uez n SER 5 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1uez n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uez n SER 6 N 0.00 -4.29 0.00 -3.46 2.88 -1.26 -5.09 113.62 102.40 1uez n SER 6 Ca 0.00 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 1uez n SER 6 Cb 0.00 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.18 1uez n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uez n GLY 7 N -0.65 1.00 2.78 0.46 0.00 -1.26 -5.13 105.19 102.39 1uez n GLY 7 Ca 0.00 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 1uez n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uez s GLU 8 N -0.32 0.73 0.30 1.61 2.02 -1.25 -5.07 118.70 116.72 1uez s GLU 8 Ca 0.00 -0.01 0.10 0.00 0.02 0.00 0.00 54.97 55.08 1uez s GLU 8 Cb 0.00 -1.21 -0.05 0.00 0.10 0.00 0.00 34.13 32.97 1uez s GLU 8 CO 0.00 -0.35 -0.04 0.08 0.02 0.00 0.00 175.26 174.97 1uez s VAL 9 N 1.92 2.91 -0.00 2.63 1.01 -1.26 0.13 120.40 127.74 1uez s VAL 9 Ca 0.04 -2.05 -0.02 0.00 0.00 0.00 0.00 61.98 59.95 1uez s VAL 9 Cb -0.13 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 1uez s VAL 9 CO -0.06 -0.31 0.04 0.00 0.00 0.00 0.00 175.10 174.76 1uez s ARG 10 N -3.65 0.22 -0.53 2.72 3.03 0.21 -4.88 118.95 116.07 1uez s ARG 10 Ca 0.32 -0.26 -0.17 0.00 2.03 0.00 0.00 55.73 57.65 1uez s ARG 10 Cb -0.04 0.09 0.09 0.00 -1.03 0.00 0.00 34.95 34.06 1uez s ARG 10 CO 0.19 -0.04 0.56 -0.51 -1.13 0.00 0.00 175.30 174.36 1uez s LEU 11 N -0.76 5.56 0.13 -1.89 2.01 -1.26 -2.08 118.68 120.40 1uez s LEU 11 Ca -0.08 -1.38 -0.08 0.00 0.01 0.00 0.00 54.13 52.60 1uez s LEU 11 Cb -0.05 -2.28 -0.06 0.00 0.01 0.00 0.00 46.19 43.81 1uez s LEU 11 CO -0.00 -0.89 0.42 -0.69 1.01 0.00 0.00 176.35 176.20 1uez s VAL 12 N 2.14 5.09 -0.09 -1.59 1.01 0.33 -4.86 120.40 122.43 1uez s VAL 12 Ca 0.08 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.37 1uez s VAL 12 Cb -0.25 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.52 1uez s VAL 12 CO 0.07 0.12 -0.11 -0.44 0.00 0.00 0.00 175.10 174.73 1uez s SER 13 N -2.15 2.00 0.37 3.32 0.01 -1.26 0.22 113.70 116.20 1uez s SER 13 Ca 0.39 -0.32 0.08 0.00 1.31 0.00 0.00 55.95 57.41 1uez s SER 13 Cb -0.13 -0.87 -0.06 0.00 0.21 0.00 0.00 66.02 65.17 1uez s SER 13 CO 0.21 -0.01 0.02 -0.76 0.41 0.00 0.00 173.24 173.11 1uez s LEU 14 N 1.02 2.93 0.67 2.44 2.01 -1.23 -4.79 118.68 121.73 1uez s LEU 14 Ca -0.08 -1.14 -0.13 0.00 0.01 0.00 0.00 54.13 52.79 1uez s LEU 14 Cb -0.15 -1.18 -0.00 0.00 0.01 0.00 0.00 46.19 44.87 1uez s LEU 14 CO -0.01 -0.34 1.07 -0.60 1.01 0.00 0.00 176.35 177.48 1uez s ARG 15 N -3.73 2.96 1.06 1.70 6.06 -1.26 -4.57 118.95 121.17 1uez s ARG 15 Ca 0.36 1.10 -0.15 0.00 -2.50 0.00 0.00 55.73 54.53 1uez s ARG 15 Cb 0.04 -1.99 0.18 0.00 0.06 0.00 0.00 34.95 33.23 1uez s ARG 15 CO 0.19 -1.09 0.31 -2.13 -2.50 0.00 0.00 175.30 170.07 1uez n ARG 16 N -2.76 -2.37 -4.40 5.12 0.63 -1.26 -3.92 116.66 107.69 1uez n ARG 16 Ca 0.08 -0.70 -0.19 0.00 -0.92 0.00 0.00 57.85 56.12 1uez n ARG 16 Cb 0.53 -1.53 -0.14 0.00 0.45 0.00 0.00 32.46 31.77 1uez n ARG 16 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1uez s ALA 17 N -2.10 0.95 -0.36 5.13 0.00 -1.26 -4.12 121.76 120.01 1uez s ALA 17 Ca 0.41 -0.59 0.05 0.00 0.00 0.00 0.00 51.96 51.83 1uez s ALA 17 Cb -0.07 -0.20 0.23 0.00 0.00 0.00 0.00 23.12 23.08 1uez s ALA 17 CO 0.40 0.20 1.21 0.36 0.00 0.00 0.00 175.76 177.93 1uez n LYS 18 N 2.46 0.67 -4.06 0.00 0.00 -1.26 -4.88 118.16 111.09 1uez n LYS 18 Ca -0.16 -1.25 -0.33 0.00 -0.00 0.00 0.00 58.31 56.57 1uez n LYS 18 Cb 0.56 -0.07 0.00 0.00 -0.00 0.00 0.00 35.03 35.52 1uez n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1uez n ALA 19 N -0.47 -1.30 0.00 0.58 0.00 -1.26 -4.80 120.51 113.26 1uez n ALA 19 Ca -0.14 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1uez n ALA 19 Cb 0.74 -3.93 0.00 0.00 0.00 0.00 0.00 19.45 16.26 1uez n ALA 19 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1uez n HIS 20 N -4.54 0.00 0.11 0.00 -0.00 -1.26 -5.02 115.22 104.51 1uez n HIS 20 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 1uez n HIS 20 Cb 0.51 0.03 0.00 0.00 -0.00 0.00 0.00 29.99 30.54 1uez n HIS 20 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1uez n GLU 21 N -2.86 0.00 -0.59 -1.40 1.02 -1.26 -5.10 120.64 110.45 1uez n GLU 21 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1uez n GLU 21 Cb 0.46 -0.10 0.00 0.00 -0.02 0.00 0.00 31.44 31.78 1uez n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uez n GLY 22 N 1.96 0.84 5.00 0.62 0.00 -1.26 -4.48 105.19 107.86 1uez n GLY 22 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1uez n GLY 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uez n LEU 23 N -0.53 0.00 0.00 0.99 4.77 -1.25 -3.45 117.00 117.53 1uez n LEU 23 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1uez n LEU 23 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1uez n LEU 23 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1uez n GLY 24 N 0.00 0.62 3.04 -0.72 0.00 -1.26 -4.45 105.19 102.41 1uez n GLY 24 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1uez n GLY 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1uez s PHE 25 N -0.47 1.37 0.09 1.61 -0.12 -1.22 -0.77 117.98 118.47 1uez s PHE 25 Ca 0.00 -0.44 -0.18 0.00 -0.05 0.00 0.00 56.93 56.26 1uez s PHE 25 Cb 0.00 -0.98 -0.07 0.00 -0.63 0.00 0.00 43.02 41.34 1uez s PHE 25 CO 0.00 -0.20 0.56 -1.12 -0.05 0.00 0.00 175.22 174.41 1uez s SER 26 N 0.40 6.99 0.26 1.98 0.01 0.83 -4.94 113.70 119.23 1uez s SER 26 Ca -0.09 1.21 0.08 0.00 1.31 0.00 0.00 55.95 58.46 1uez s SER 26 Cb -0.13 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 1uez s SER 26 CO 0.02 0.23 0.12 0.27 0.41 0.00 0.00 173.24 174.30 1uez s ILE 27 N -1.20 4.02 0.29 1.44 -4.36 -1.26 0.47 121.20 120.60 1uez s ILE 27 Ca 0.31 -1.60 -0.02 0.00 -0.26 0.00 0.00 60.65 59.07 1uez s ILE 27 Cb -0.18 -3.18 -0.01 0.00 1.25 0.00 0.00 42.46 40.34 1uez s ILE 27 CO 0.19 -0.35 0.37 0.00 0.24 0.00 0.00 174.94 175.39 1uez s ARG 28 N -3.78 1.68 0.00 0.37 1.70 0.24 -4.72 118.95 114.44 1uez s ARG 28 Ca 0.33 -1.68 0.00 0.00 -0.47 0.00 0.00 55.73 53.90 1uez s ARG 28 Cb -0.07 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 1uez s ARG 28 CO 0.23 -0.66 0.00 0.41 -1.08 0.00 0.00 175.30 174.20 1uez n GLY 29 N -0.48 -0.19 0.00 3.88 0.00 -1.26 -1.24 105.19 105.89 1uez n GLY 29 Ca 0.02 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1uez n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uez n GLY 30 N 0.00 4.57 0.32 -0.02 0.00 0.15 -4.03 105.19 106.18 1uez n GLY 30 Ca 0.00 -1.14 0.17 0.00 0.00 0.00 0.00 46.02 45.05 1uez n GLY 30 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1uez h SER 31 N 0.00 0.00 -0.75 1.61 4.64 -0.12 -0.25 113.55 118.68 1uez h SER 31 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 1uez h SER 31 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1uez h SER 31 CO 0.00 0.00 0.49 -0.08 -0.87 0.00 0.00 176.83 176.37 1uez h GLU 32 N 0.00 0.73 0.00 4.77 4.81 -1.84 0.15 114.58 123.19 1uez h GLU 32 Ca 0.03 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1uez h GLU 32 Cb 0.19 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1uez h GLU 32 CO -0.00 0.48 -0.98 0.72 -0.73 0.00 0.00 179.01 178.51 1uez n HIS 33 N -4.49 0.93 0.00 0.92 8.25 -0.16 -4.94 115.22 115.73 1uez n HIS 33 Ca 0.12 0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 1uez n HIS 33 Cb 0.26 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 30.45 1uez n HIS 33 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1uez n GLY 34 N 1.20 0.55 3.73 -1.41 0.00 0.04 -5.06 105.19 104.23 1uez n GLY 34 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1uez n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1uez s VAL 35 N -2.00 4.22 0.00 1.61 -7.23 -1.01 -4.90 120.40 111.09 1uez s VAL 35 Ca 0.00 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 1uez s VAL 35 Cb 0.00 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.88 1uez s VAL 35 CO 0.00 0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.46 1uez n GLY 36 N 0.30 -1.13 3.11 2.32 0.00 -1.26 -1.27 105.19 107.27 1uez n GLY 36 Ca -0.10 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 1uez n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uez s ILE 37 N 0.00 0.85 0.20 -0.61 -1.09 -1.26 0.31 121.20 119.60 1uez s ILE 37 Ca 0.00 -1.13 -0.20 0.00 -2.23 0.00 0.00 60.65 57.09 1uez s ILE 37 Cb 0.00 -0.85 0.04 0.00 -1.58 0.00 0.00 42.46 40.08 1uez s ILE 37 CO 0.00 -0.24 0.59 -0.31 -1.23 0.00 0.00 174.94 173.75 1uez s TYR 38 N -1.21 -0.30 0.25 3.97 1.51 -0.38 -2.58 117.35 118.61 1uez s TYR 38 Ca -0.05 -0.02 -0.30 0.00 -1.01 0.00 0.00 57.07 55.70 1uez s TYR 38 Cb -0.09 0.52 -0.09 0.00 -0.11 0.00 0.00 41.96 42.19 1uez s TYR 38 CO 0.01 -0.95 1.02 0.08 -1.11 0.00 0.00 175.55 174.60 1uez s VAL 39 N -3.83 3.82 -0.05 0.71 1.01 -1.21 0.83 120.40 121.68 1uez s VAL 39 Ca 0.06 1.80 0.02 0.00 0.00 0.00 0.00 61.98 63.86 1uez s VAL 39 Cb -0.02 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1uez s VAL 39 CO -0.05 0.41 -0.02 -1.54 0.00 0.00 0.00 175.10 173.90 1uez n SER 40 N 1.49 3.74 -3.87 3.32 3.41 0.18 -3.48 113.62 118.40 1uez n SER 40 Ca -0.01 -0.02 -0.11 0.00 -0.26 0.00 0.00 58.87 58.47 1uez n SER 40 Cb 0.46 0.20 -0.11 0.00 -0.26 0.00 0.00 64.21 64.50 1uez n SER 40 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1uez s LEU 41 N -4.90 1.61 -0.05 1.04 1.98 -1.11 -4.84 118.68 112.40 1uez s LEU 41 Ca -0.05 -0.07 -0.01 0.00 -2.89 0.00 0.00 54.13 51.11 1uez s LEU 41 Cb 0.02 0.54 0.03 0.00 0.66 0.00 0.00 46.19 47.43 1uez s LEU 41 CO 0.14 -0.25 0.01 -0.69 -1.89 0.00 0.00 176.35 173.67 1uez s VAL 42 N -0.89 0.26 0.34 1.68 1.01 -1.26 -0.12 120.40 121.42 1uez s VAL 42 Ca -0.10 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.75 1uez s VAL 42 Cb -0.06 -0.41 -0.10 0.00 0.00 0.00 0.00 36.38 35.81 1uez s VAL 42 CO 0.01 0.22 1.29 -1.61 0.00 0.00 0.00 175.10 175.01 1uez s GLU 43 N 1.70 4.30 0.66 2.72 0.41 0.05 -4.98 118.70 123.57 1uez s GLU 43 Ca 0.00 2.18 -0.12 0.00 -0.41 0.00 0.00 54.97 56.62 1uez s GLU 43 Cb -0.13 -3.02 -0.01 0.00 -1.78 0.00 0.00 34.13 29.20 1uez s GLU 43 CO -0.04 -0.22 1.06 -1.25 -0.49 0.00 0.00 175.26 174.32 1uez s PRO 44 N -1.86 3.09 -0.06 0.39 0.04 -1.26 -3.43 135.00 131.89 1uez s PRO 44 Ca 0.50 1.02 -0.01 0.00 0.04 0.00 0.00 61.00 62.56 1uez s PRO 44 Cb -0.39 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.15 1uez s PRO 44 CO 0.51 -0.98 0.02 0.41 0.04 0.00 0.00 177.00 177.00 1uez n GLY 45 N -1.70 -0.44 2.36 0.56 0.00 -1.26 -4.85 105.19 99.86 1uez n GLY 45 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 1uez n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uez n SER 46 N -1.37 1.06 0.04 1.61 3.41 -1.22 -4.98 113.62 112.17 1uez n SER 46 Ca 0.00 -1.82 -0.10 0.00 -0.26 0.00 0.00 58.87 56.69 1uez n SER 46 Cb 0.45 -0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 64.00 1uez n SER 46 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1uez h LEU 47 N 0.00 -0.16 -0.26 1.04 5.85 -1.87 -2.32 115.31 117.59 1uez h LEU 47 Ca -0.18 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.19 1uez h LEU 47 Cb 0.75 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 1uez h LEU 47 CO 0.23 0.42 -0.27 0.00 -0.34 0.00 0.00 178.44 178.48 1uez h ALA 48 N -0.31 -0.47 -1.01 1.25 0.00 -1.87 0.85 119.26 117.71 1uez h ALA 48 Ca -0.02 0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.13 1uez h ALA 48 Cb 0.53 0.97 -0.10 0.00 0.00 0.00 0.00 17.79 19.19 1uez h ALA 48 CO 0.03 -0.61 0.63 1.49 0.00 0.00 0.00 179.25 180.79 1uez h GLU 49 N -0.15 0.54 -0.36 0.00 4.22 -1.73 0.92 114.58 118.02 1uez h GLU 49 Ca 0.04 -0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.40 1uez h GLU 49 Cb 0.26 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1uez h GLU 49 CO -0.32 0.36 -0.01 0.87 -2.18 0.00 0.00 179.01 177.72 1uez h LYS 50 N 0.55 0.57 0.00 1.92 1.57 0.34 -1.47 116.57 120.06 1uez h LYS 50 Ca 0.59 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 59.17 1uez h LYS 50 Cb 1.22 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1uez h LYS 50 CO -0.35 0.61 -0.32 0.93 -0.57 0.00 0.00 179.45 179.75 1uez h GLU 51 N 0.55 0.00 0.00 3.15 4.39 0.73 -3.47 114.58 119.93 1uez h GLU 51 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1uez h GLU 51 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1uez h GLU 51 CO 0.01 0.32 0.00 0.41 -1.16 0.00 0.00 179.01 178.60 1uez n GLY 52 N 0.46 1.49 3.09 -3.84 0.00 -0.01 -4.98 105.19 101.41 1uez n GLY 52 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1uez n GLY 52 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1uez n LEU 53 N 0.00 -4.87 0.00 0.99 7.94 -0.80 -4.86 117.00 115.41 1uez n LEU 53 Ca 0.00 0.26 0.00 0.00 -1.11 0.00 0.00 56.01 55.16 1uez n LEU 53 Cb 0.00 -0.84 0.00 0.00 0.53 0.00 0.00 43.42 43.11 1uez n LEU 53 CO 0.00 -5.54 0.00 0.54 -1.11 0.00 0.00 177.39 171.28 1uez n ARG 54 N 1.76 0.00 -1.72 1.96 5.12 -1.26 -4.19 116.66 118.34 1uez n ARG 54 Ca 0.00 0.00 -0.67 0.00 -1.93 0.00 0.00 57.85 55.25 1uez n ARG 54 Cb 0.55 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.75 1uez n ARG 54 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1uez n VAL 55 N -0.11 0.01 0.00 1.55 0.31 -1.26 -1.95 118.33 116.88 1uez n VAL 55 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1uez n VAL 55 Cb 0.00 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 1uez n VAL 55 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1uez n GLY 56 N 4.24 3.66 3.04 2.92 0.00 -1.23 -5.01 105.19 112.81 1uez n GLY 56 Ca 0.32 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 1uez n GLY 56 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uez n ASP 57 N 0.00 -3.66 -3.68 1.61 8.00 -0.82 -4.79 116.55 113.21 1uez n ASP 57 Ca 0.00 -0.66 -0.23 0.00 0.71 0.00 0.00 54.79 54.61 1uez n ASP 57 Cb 0.00 -0.87 -0.17 0.00 -0.02 0.00 0.00 41.12 40.06 1uez n ASP 57 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1uez s GLN 58 N -4.31 0.17 -0.81 -1.24 0.74 -1.26 -3.30 119.66 109.64 1uez s GLN 58 Ca 0.50 0.12 -0.25 0.00 0.05 0.00 0.00 55.36 55.78 1uez s GLN 58 Cb -0.09 -1.12 -0.00 0.00 1.10 0.00 0.00 33.01 32.90 1uez s GLN 58 CO 0.42 -0.45 1.67 0.42 -0.55 0.00 0.00 175.29 176.81 1uez s ILE 59 N 2.09 3.58 -0.04 -2.34 -1.09 -1.07 -2.80 121.20 119.54 1uez s ILE 59 Ca 0.04 -0.13 -0.24 0.00 -2.23 0.00 0.00 60.65 58.08 1uez s ILE 59 Cb -0.14 -4.41 -0.19 0.00 -1.58 0.00 0.00 42.46 36.14 1uez s ILE 59 CO -0.06 -1.35 1.10 -0.07 -1.23 0.00 0.00 174.94 173.33 1uez h LEU 60 N 15.32 -0.10 -9.29 2.97 3.38 -0.79 -3.40 115.31 123.40 1uez h LEU 60 Ca -0.06 -0.44 -0.56 0.00 0.09 0.00 0.00 57.88 56.91 1uez h LEU 60 Cb 1.06 0.03 -0.14 0.00 0.09 0.00 0.00 40.66 41.70 1uez h LEU 60 CO 1.28 0.43 -0.68 -0.13 0.09 0.00 0.00 178.44 179.42 1uez s ARG 61 N -3.88 1.69 -0.17 1.13 0.52 -1.20 -2.65 118.95 114.39 1uez s ARG 61 Ca -0.15 -1.86 -0.04 0.00 -0.52 0.00 0.00 55.73 53.16 1uez s ARG 61 Cb 0.01 -1.46 0.07 0.00 0.52 0.00 0.00 34.95 34.09 1uez s ARG 61 CO 0.59 0.11 0.15 0.54 0.02 0.00 0.00 175.30 176.71 1uez s VAL 62 N -2.78 -0.21 0.00 3.52 0.11 0.82 -2.98 120.40 118.89 1uez s VAL 62 Ca 0.31 -0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 1uez s VAL 62 Cb 0.03 -0.58 0.00 0.00 -1.53 0.00 0.00 36.38 34.30 1uez s VAL 62 CO 0.14 -0.20 0.00 -3.20 -3.33 0.00 0.00 175.10 168.52 1uez n ASN 63 N 5.30 0.00 0.00 3.54 2.85 -0.93 -2.26 115.26 123.76 1uez n ASN 63 Ca -0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 1uez n ASN 63 Cb 0.49 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.51 1uez n ASN 63 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1uez n ASP 64 N 1.85 0.00 -4.77 1.20 2.03 -1.26 -4.43 116.55 111.17 1uez n ASP 64 Ca 0.00 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.98 1uez n ASP 64 Cb 0.00 0.23 0.05 0.00 -0.72 0.00 0.00 41.12 40.68 1uez n ASP 64 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1uez s LYS 65 N -1.61 2.76 -0.15 -0.67 3.01 -0.96 -5.02 119.74 117.10 1uez s LYS 65 Ca 0.00 1.41 -0.03 0.00 -1.01 0.00 0.00 55.97 56.34 1uez s LYS 65 Cb 0.00 -1.94 -0.03 0.00 -1.01 0.00 0.00 37.83 34.85 1uez s LYS 65 CO 0.00 -1.29 -0.05 -1.54 0.51 0.00 0.00 175.35 172.99 1uez s SER 66 N -2.56 4.72 -0.31 2.83 1.04 -1.26 -0.13 113.70 118.04 1uez s SER 66 Ca 0.67 -0.14 -0.04 0.00 0.48 0.00 0.00 55.95 56.92 1uez s SER 66 Cb -0.21 -1.76 0.02 0.00 0.10 0.00 0.00 66.02 64.17 1uez s SER 66 CO 0.42 0.17 2.77 0.18 0.98 0.00 0.00 173.24 177.76 1uez n LEU 67 N 3.50 6.17 -0.11 2.42 7.99 -1.08 -4.62 117.00 131.26 1uez n LEU 67 Ca -0.17 -3.66 -0.06 0.00 -0.01 0.00 0.00 56.01 52.10 1uez n LEU 67 Cb 0.52 -1.23 -0.00 0.00 -0.11 0.00 0.00 43.42 42.60 1uez n LEU 67 CO 0.33 1.59 0.68 0.00 -1.51 0.00 0.00 177.39 178.48 1uez h ALA 68 N 2.61 -0.05 -1.45 -1.18 0.00 -1.92 -3.36 119.26 113.91 1uez h ALA 68 Ca 0.31 0.12 -0.36 0.00 0.00 0.00 0.00 54.91 54.98 1uez h ALA 68 Cb 0.93 0.59 -0.26 0.00 0.00 0.00 0.00 17.79 19.05 1uez h ALA 68 CO 0.68 -0.65 -0.74 0.54 0.00 0.00 0.00 179.25 179.09 1uez n ARG 69 N -5.40 0.48 -4.18 0.00 1.74 -1.26 -4.58 116.66 103.45 1uez n ARG 69 Ca 0.02 -2.53 -0.15 0.00 -0.77 0.00 0.00 57.85 54.41 1uez n ARG 69 Cb 0.32 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.14 1uez n ARG 69 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1uez s VAL 70 N 0.30 1.00 1.03 1.55 -7.23 -1.26 -4.75 120.40 111.03 1uez s VAL 70 Ca 0.32 -1.61 -0.12 0.00 -1.81 0.00 0.00 61.98 58.76 1uez s VAL 70 Cb 0.07 -1.34 0.20 0.00 0.56 0.00 0.00 36.38 35.88 1uez s VAL 70 CO -0.14 -0.51 1.08 0.42 -0.31 0.00 0.00 175.10 175.64 1uez s THR 71 N -2.28 2.21 0.46 5.32 -4.23 -1.26 -0.04 115.64 115.82 1uez s THR 71 Ca 0.05 0.07 0.17 0.00 -1.18 0.00 0.00 61.69 60.79 1uez s THR 71 Cb -0.04 -2.27 0.21 0.00 1.34 0.00 0.00 72.50 71.74 1uez s THR 71 CO 0.01 -0.09 2.03 -0.74 -0.54 0.00 0.00 174.62 175.29 1uez h HIS 72 N -2.12 0.00 -0.11 3.99 2.76 -1.89 -0.77 115.15 117.02 1uez h HIS 72 Ca -0.54 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 57.51 1uez h HIS 72 Cb 1.31 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.25 1uez h HIS 72 CO 0.36 0.14 -0.48 0.00 -1.30 0.00 0.00 177.93 176.65 1uez h ALA 73 N 1.86 0.98 0.38 5.26 0.00 -1.91 -2.49 119.26 123.33 1uez h ALA 73 Ca -0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1uez h ALA 73 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1uez h ALA 73 CO 0.02 0.65 -0.18 0.93 0.00 0.00 0.00 179.25 180.66 1uez h GLU 74 N 0.22 -0.49 -0.75 0.00 4.39 -1.48 0.46 114.58 116.94 1uez h GLU 74 Ca 0.01 0.03 0.15 0.00 0.34 0.00 0.00 59.36 59.89 1uez h GLU 74 Cb 0.93 0.11 -0.14 0.00 -0.10 0.00 0.00 28.75 29.55 1uez h GLU 74 CO 0.08 -0.32 -0.22 0.00 -1.16 0.00 0.00 179.01 177.38 1uez h ALA 75 N -1.67 0.40 0.51 3.43 0.00 -1.54 1.46 119.26 121.86 1uez h ALA 75 Ca -0.05 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1uez h ALA 75 Cb 0.39 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1uez h ALA 75 CO 0.08 -0.46 -0.34 0.28 0.00 0.00 0.00 179.25 178.81 1uez h VAL 76 N -0.03 0.30 -0.04 0.00 2.07 -1.44 1.15 116.25 118.27 1uez h VAL 76 Ca 0.35 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.88 1uez h VAL 76 Cb 0.56 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1uez h VAL 76 CO -0.79 0.00 0.16 0.11 0.02 0.00 0.00 177.57 177.07 1uez h LYS 77 N -0.82 0.00 0.00 1.57 1.79 0.23 0.82 116.57 120.17 1uez h LYS 77 Ca -0.06 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.36 1uez h LYS 77 Cb 0.68 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.32 1uez h LYS 77 CO 0.04 0.00 -1.16 0.00 -1.08 0.00 0.00 179.45 177.25 1uez n ALA 78 N -2.07 2.33 0.00 3.86 0.00 0.48 -4.10 120.51 121.01 1uez n ALA 78 Ca -0.02 -0.34 -0.13 0.00 0.00 0.00 0.00 53.44 52.95 1uez n ALA 78 Cb 0.23 -1.05 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 1uez n ALA 78 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1uez h LEU 79 N 0.00 -0.04-10.34 0.00 3.38 0.83 -3.44 115.31 105.69 1uez h LEU 79 Ca -0.06 -0.49 -0.49 0.00 0.09 0.00 0.00 57.88 56.93 1uez h LEU 79 Cb 1.20 0.01 0.14 0.00 0.09 0.00 0.00 40.66 42.09 1uez h LEU 79 CO 0.02 0.49 0.28 -0.54 0.09 0.00 0.00 178.44 178.78 1uez s LYS 80 N -4.01 1.68 0.69 1.13 1.02 -0.65 -4.86 119.74 114.73 1uez s LYS 80 Ca -0.16 0.87 0.00 0.00 0.02 0.00 0.00 55.97 56.70 1uez s LYS 80 Cb 0.01 -1.85 0.00 0.00 -0.52 0.00 0.00 37.83 35.47 1uez s LYS 80 CO 0.64 -1.96 0.00 0.41 -0.92 0.00 0.00 175.35 173.52 1uez n GLY 81 N -1.34 -2.13 1.33 -3.33 0.00 -1.26 -4.93 105.19 93.52 1uez n GLY 81 Ca 0.07 -1.56 0.17 0.00 0.00 0.00 0.00 46.02 44.70 1uez n GLY 81 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uez n SER 82 N 0.56 -7.94 0.00 1.61 7.64 -1.26 -4.85 113.62 109.37 1uez n SER 82 Ca 0.00 0.82 0.00 0.00 1.01 0.00 0.00 58.87 60.70 1uez n SER 82 Cb 0.00 -4.21 0.00 0.00 -1.01 0.00 0.00 64.21 58.99 1uez n SER 82 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1uez n LYS 83 N -4.11 0.00 -3.60 1.43 4.81 -1.26 -4.90 118.16 110.53 1uez n LYS 83 Ca -0.02 0.04 -0.37 0.00 -0.87 0.00 0.00 58.31 57.08 1uez n LYS 83 Cb 0.61 -0.36 -0.09 0.00 0.02 0.00 0.00 35.03 35.21 1uez n LYS 83 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1uez s LYS 84 N -0.12 4.06 -0.43 1.64 0.00 -1.26 -4.87 119.74 118.76 1uez s LYS 84 Ca 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 55.97 55.59 1uez s LYS 84 Cb 0.00 -3.56 0.03 0.00 0.00 0.00 0.00 37.83 34.29 1uez s LYS 84 CO 0.00 -0.01 0.50 -1.17 0.00 0.00 0.00 175.35 174.68 1uez s LEU 85 N 1.25 4.80 -0.43 2.77 2.96 -1.26 -4.85 118.68 123.92 1uez s LEU 85 Ca 0.09 -0.62 -0.17 0.00 -0.22 0.00 0.00 54.13 53.21 1uez s LEU 85 Cb -0.14 -2.47 0.03 0.00 0.50 0.00 0.00 46.19 44.10 1uez s LEU 85 CO 0.06 -0.65 0.43 -0.69 -1.32 0.00 0.00 176.35 174.18 1uez s VAL 86 N 2.33 5.10 -0.25 1.68 1.01 -1.26 -3.54 120.40 125.48 1uez s VAL 86 Ca 0.15 -0.44 -0.24 0.00 0.00 0.00 0.00 61.98 61.45 1uez s VAL 86 Cb -0.17 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.16 1uez s VAL 86 CO 0.15 -0.44 0.82 -0.76 0.00 0.00 0.00 175.10 174.86 1uez s LEU 87 N 2.08 4.08 -0.52 3.92 2.01 0.58 -2.20 118.68 128.64 1uez s LEU 87 Ca 0.11 1.00 -0.14 0.00 0.01 0.00 0.00 54.13 55.11 1uez s LEU 87 Cb -0.18 -3.17 0.13 0.00 0.01 0.00 0.00 46.19 42.98 1uez s LEU 87 CO 0.13 -0.52 0.46 -0.44 1.01 0.00 0.00 176.35 176.98 1uez s SER 88 N 1.37 6.05 0.11 2.29 0.01 -1.16 0.12 113.70 122.49 1uez s SER 88 Ca 0.34 -1.83 0.05 0.00 1.31 0.00 0.00 55.95 55.83 1uez s SER 88 Cb -0.15 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 1uez s SER 88 CO 0.08 -0.81 -0.00 0.68 0.41 0.00 0.00 173.24 173.59 1uez s VAL 89 N 1.53 3.93 -0.28 3.43 -7.23 -0.88 -0.09 120.40 120.82 1uez s VAL 89 Ca 0.04 -1.08 -0.08 0.00 -1.81 0.00 0.00 61.98 59.05 1uez s VAL 89 Cb -0.29 -2.89 -0.01 0.00 0.56 0.00 0.00 36.38 33.75 1uez s VAL 89 CO 0.02 0.08 0.09 -0.47 -0.31 0.00 0.00 175.10 174.51 1uez s TYR 90 N -1.38 3.13 -0.11 2.82 5.04 -1.12 -0.62 117.35 125.11 1uez s TYR 90 Ca 0.26 -0.61 0.01 0.00 -2.44 0.00 0.00 57.07 54.29 1uez s TYR 90 Cb -0.11 -2.27 0.02 0.00 0.35 0.00 0.00 41.96 39.94 1uez s TYR 90 CO 0.18 -0.44 -0.14 0.45 -1.34 0.00 0.00 175.55 174.25 1uez s SER 91 N 1.58 2.43 0.39 4.32 0.15 0.34 -4.29 113.70 118.62 1uez s SER 91 Ca 0.05 -0.42 0.07 0.00 0.70 0.00 0.00 55.95 56.35 1uez s SER 91 Cb -0.16 -1.08 -0.00 0.00 -1.71 0.00 0.00 66.02 63.07 1uez s SER 91 CO 0.04 -0.00 0.51 0.00 1.20 0.00 0.00 173.24 174.99 1uez s ALA 92 N 1.09 4.37 0.00 5.45 0.00 -1.26 -3.82 121.76 127.58 1uez s ALA 92 Ca -0.05 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.30 1uez s ALA 92 Cb -0.14 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.40 1uez s ALA 92 CO -0.03 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1uez n GLY 93 N -1.73 1.06 3.60 0.00 0.00 -1.26 -4.75 105.19 102.11 1uez n GLY 93 Ca 0.04 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1uez n GLY 93 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1uez s ARG 94 N 0.00 0.23 0.30 1.61 3.52 -1.26 -5.12 118.95 118.22 1uez s ARG 94 Ca 0.00 -0.11 0.08 0.00 -0.13 0.00 0.00 55.73 55.57 1uez s ARG 94 Cb 0.00 0.09 -0.04 0.00 -1.56 0.00 0.00 34.95 33.44 1uez s ARG 94 CO 0.00 -0.10 0.10 0.96 -0.81 0.00 0.00 175.30 175.45 1uez s ILE 95 N -2.26 3.44 0.17 4.11 -4.36 -1.26 -5.14 121.20 115.89 1uez s ILE 95 Ca 0.13 -1.71 0.02 0.00 -0.26 0.00 0.00 60.65 58.82 1uez s ILE 95 Cb 0.03 -3.01 -0.05 0.00 1.25 0.00 0.00 42.46 40.69 1uez s ILE 95 CO -0.04 -0.28 0.00 -0.55 0.24 0.00 0.00 174.94 174.30 1uez s SER 96 N -3.79 1.24 0.00 4.36 0.15 -1.26 -5.15 113.70 109.25 1uez s SER 96 Ca 0.35 -1.17 0.00 0.00 0.70 0.00 0.00 55.95 55.83 1uez s SER 96 Cb -0.05 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1uez s SER 96 CO 0.22 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1uez n GLY 97 N -0.25 0.31 3.81 9.45 0.00 -1.26 -5.17 105.19 112.08 1uez n GLY 97 Ca -0.07 0.69 -0.33 0.00 0.00 0.00 0.00 46.02 46.32 1uez n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uez s PRO 98 N 0.00 3.42 0.33 1.61 0.04 -1.26 -4.80 135.00 134.34 1uez s PRO 98 Ca 0.00 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1uez s PRO 98 Cb 0.00 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1uez s PRO 98 CO 0.00 -0.73 0.00 0.45 0.04 0.00 0.00 177.00 176.76 1uez n SER 99 N -1.93 -8.20 -3.24 6.66 2.88 -1.26 -5.00 113.62 103.53 1uez n SER 99 Ca 0.08 1.13 -0.20 0.00 -1.33 0.00 0.00 58.87 58.55 1uez n SER 99 Cb 0.53 -4.07 -0.07 0.00 -0.75 0.00 0.00 64.21 59.85 1uez n SER 99 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uez s SER 100 N -1.98 0.75 0.00 -3.46 0.01 -1.26 -5.26 113.70 102.50 1uez s SER 100 Ca 0.00 -2.54 0.00 0.00 1.31 0.00 0.00 55.95 54.72 1uez s SER 100 Cb 0.00 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.48 1uez s SER 100 CO 0.00 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.10