#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 3.59 0.02 1.61 0.01 -1.26 -5.09 113.70 112.58 1uez s SER 2 Ca 0.00 -2.84 -0.05 0.00 1.31 0.00 0.00 55.95 54.37 1uez s SER 2 Cb 0.00 -1.07 -0.01 0.00 0.21 0.00 0.00 66.02 65.15 1uez s SER 2 CO 0.00 -0.23 0.09 -0.44 0.41 0.00 0.00 173.24 173.07 1uez s SER 3 N 0.08 0.14 0.56 2.44 0.01 -1.26 -5.17 113.70 110.50 1uez s SER 3 Ca 0.20 -0.42 0.08 0.00 1.31 0.00 0.00 55.95 57.13 1uez s SER 3 Cb -0.19 0.20 0.07 0.00 0.21 0.00 0.00 66.02 66.31 1uez s SER 3 CO -0.04 -0.43 0.67 -0.83 0.41 0.00 0.00 173.24 173.02 1uez s GLY 4 N -1.76 1.93 0.20 3.44 0.00 -1.26 -5.14 107.32 104.72 1uez s GLY 4 Ca -0.10 -1.87 -0.23 0.00 0.00 0.00 0.00 44.72 42.52 1uez s GLY 4 CO -0.02 -1.77 0.81 -0.45 0.00 0.00 0.00 173.10 171.68 1uez s SER 5 N -4.54 -0.26 1.09 1.64 0.15 -1.26 -5.16 113.70 105.35 1uez s SER 5 Ca 0.53 -0.44 -0.15 0.00 0.70 0.00 0.00 55.95 56.60 1uez s SER 5 Cb -0.05 0.60 0.17 0.00 -1.71 0.00 0.00 66.02 65.03 1uez s SER 5 CO 0.33 -1.10 0.57 -1.54 1.20 0.00 0.00 173.24 172.70 1uez n SER 6 N -0.44 -1.78 0.00 5.45 3.41 -1.26 -5.03 113.62 113.97 1uez n SER 6 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1uez n SER 6 Cb 0.60 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 1uez n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uez n GLY 7 N 1.37 0.18 2.67 5.00 0.00 -1.26 -5.07 105.19 108.08 1uez n GLY 7 Ca 0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 1uez n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1uez n GLU 8 N 0.00 0.31 -1.44 1.61 0.28 -1.26 -5.09 120.64 115.05 1uez n GLU 8 Ca 0.00 -0.87 -0.30 0.00 -0.16 0.00 0.00 57.16 55.82 1uez n GLU 8 Cb 0.00 -0.12 0.10 0.00 1.43 0.00 0.00 31.44 32.84 1uez n GLU 8 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1uez s VAL 9 N 0.06 3.15 0.07 3.84 -7.23 -1.26 -3.38 120.40 115.66 1uez s VAL 9 Ca 0.12 0.37 0.07 0.00 -1.81 0.00 0.00 61.98 60.73 1uez s VAL 9 Cb 0.19 -3.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 1uez s VAL 9 CO -0.09 -0.49 -0.18 0.00 -0.31 0.00 0.00 175.10 174.03 1uez s ARG 10 N -5.05 1.08 -0.53 4.82 3.03 0.13 -4.86 118.95 117.57 1uez s ARG 10 Ca 0.61 -0.98 -0.18 0.00 2.03 0.00 0.00 55.73 57.21 1uez s ARG 10 Cb -0.16 -1.20 0.08 0.00 -1.03 0.00 0.00 34.95 32.65 1uez s ARG 10 CO 0.55 0.29 0.59 -0.51 -1.13 0.00 0.00 175.30 175.09 1uez s LEU 11 N -1.53 5.38 0.13 -1.89 2.01 -1.26 -1.99 118.68 119.53 1uez s LEU 11 Ca 0.04 -1.27 -0.08 0.00 0.01 0.00 0.00 54.13 52.83 1uez s LEU 11 Cb -0.09 -2.32 -0.06 0.00 0.01 0.00 0.00 46.19 43.73 1uez s LEU 11 CO 0.03 -0.91 0.42 -0.69 1.01 0.00 0.00 176.35 176.21 1uez s VAL 12 N 2.33 5.08 -0.07 -1.59 1.01 0.25 -4.86 120.40 122.54 1uez s VAL 12 Ca 0.10 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.42 1uez s VAL 12 Cb -0.23 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.53 1uez s VAL 12 CO 0.08 0.14 -0.12 -0.44 0.00 0.00 0.00 175.10 174.75 1uez s SER 13 N -2.10 1.89 -0.19 3.32 0.01 -1.26 0.22 113.70 115.59 1uez s SER 13 Ca 0.38 -0.31 -0.01 0.00 1.31 0.00 0.00 55.95 57.33 1uez s SER 13 Cb -0.13 -0.86 0.05 0.00 0.21 0.00 0.00 66.02 65.30 1uez s SER 13 CO 0.21 0.02 -0.03 -0.76 0.41 0.00 0.00 173.24 173.08 1uez s LEU 14 N 0.80 1.78 0.15 2.44 2.01 -1.25 -4.75 118.68 119.85 1uez s LEU 14 Ca -0.12 -0.84 0.05 0.00 0.01 0.00 0.00 54.13 53.23 1uez s LEU 14 Cb -0.15 -0.91 -0.04 0.00 0.01 0.00 0.00 46.19 45.09 1uez s LEU 14 CO 0.02 -0.23 -0.11 -0.60 1.01 0.00 0.00 176.35 176.45 1uez s ARG 15 N 1.62 1.06 -0.08 1.70 3.52 -1.26 -4.70 118.95 120.81 1uez s ARG 15 Ca -0.01 -1.44 -0.00 0.00 -0.13 0.00 0.00 55.73 54.14 1uez s ARG 15 Cb -0.17 -0.66 0.00 0.00 -1.56 0.00 0.00 34.95 32.57 1uez s ARG 15 CO -0.07 0.09 0.01 -2.13 -0.81 0.00 0.00 175.30 172.38 1uez n ARG 16 N -0.14 -1.26 0.00 5.12 0.00 -1.26 -4.91 116.66 114.21 1uez n ARG 16 Ca -0.11 1.38 0.00 0.00 -0.00 0.00 0.00 57.85 59.12 1uez n ARG 16 Cb 0.60 -2.16 0.00 0.00 0.00 0.00 0.00 32.46 30.91 1uez n ARG 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1uez n ALA 17 N 1.26 0.00 -3.15 5.13 0.00 -1.26 -5.09 120.51 117.40 1uez n ALA 17 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.47 1uez n ALA 17 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.79 1uez n ALA 17 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1uez s LYS 18 N -1.83 0.40 0.07 0.00 2.20 -1.01 -4.99 119.74 114.58 1uez s LYS 18 Ca 0.00 0.43 -0.35 0.00 -0.36 0.00 0.00 55.97 55.68 1uez s LYS 18 Cb 0.00 0.20 -0.19 0.00 -1.51 0.00 0.00 37.83 36.34 1uez s LYS 18 CO 0.00 -0.71 1.59 0.00 -0.36 0.00 0.00 175.35 175.87 1uez h ALA 19 N 7.74 -1.13 0.00 3.13 0.00 -1.99 -3.13 119.26 123.88 1uez h ALA 19 Ca -0.06 -0.23 -0.48 0.00 0.00 0.00 0.00 54.91 54.14 1uez h ALA 19 Cb 1.18 0.53 0.03 0.00 0.00 0.00 0.00 17.79 19.54 1uez h ALA 19 CO 0.06 -1.15 2.32 -2.39 0.00 0.00 0.00 179.25 178.09 1uez n HIS 20 N -5.58 1.44 -1.48 0.00 -0.00 -1.26 -4.21 115.22 104.14 1uez n HIS 20 Ca -0.14 -1.74 0.00 0.00 -0.00 0.00 0.00 57.72 55.84 1uez n HIS 20 Cb 0.46 -1.58 0.00 0.00 -0.00 0.00 0.00 29.99 28.87 1uez n HIS 20 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1uez n GLU 21 N 5.63 -4.21 0.00 -1.40 4.07 -1.19 -5.08 120.64 118.45 1uez n GLU 21 Ca 0.44 3.12 0.00 0.00 -0.06 0.00 0.00 57.16 60.65 1uez n GLU 21 Cb 0.25 -3.49 0.00 0.00 -0.06 0.00 0.00 31.44 28.15 1uez n GLU 21 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1uez n GLY 22 N -0.59 2.11 1.18 8.31 0.00 -1.22 -4.75 105.19 110.22 1uez n GLY 22 Ca 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 4.38 0.00 0.99 4.77 -1.26 -2.40 117.00 123.47 1uez n LEU 23 Ca 0.00 -3.30 0.00 0.00 -0.03 0.00 0.00 56.01 52.68 1uez n LEU 23 Cb 0.00 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 1uez n LEU 23 CO 0.00 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1uez n GLY 24 N -0.67 2.91 3.28 -0.72 0.00 -1.26 -4.54 105.19 104.19 1uez n GLY 24 Ca 0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.77 2.47 0.37 1.61 -0.12 -1.26 -1.18 117.98 118.10 1uez s PHE 25 Ca 0.00 -0.72 -0.03 0.00 -0.05 0.00 0.00 56.93 56.12 1uez s PHE 25 Cb 0.00 -1.62 -0.04 0.00 -0.63 0.00 0.00 43.02 40.73 1uez s PHE 25 CO 0.00 -0.22 0.63 -1.12 -0.05 0.00 0.00 175.22 174.46 1uez s SER 26 N -0.13 6.34 0.39 1.98 0.01 0.19 -4.91 113.70 117.58 1uez s SER 26 Ca -0.04 0.70 0.08 0.00 1.31 0.00 0.00 55.95 57.99 1uez s SER 26 Cb -0.14 -2.14 -0.07 0.00 0.21 0.00 0.00 66.02 63.88 1uez s SER 26 CO 0.04 -0.35 0.03 0.27 0.41 0.00 0.00 173.24 173.64 1uez s ILE 27 N -2.37 2.20 0.28 1.44 -4.36 -1.26 -1.49 121.20 115.64 1uez s ILE 27 Ca 0.44 -1.97 -0.10 0.00 -0.26 0.00 0.00 60.65 58.75 1uez s ILE 27 Cb -0.10 -2.91 0.00 0.00 1.25 0.00 0.00 42.46 40.71 1uez s ILE 27 CO 0.36 -0.07 0.50 0.00 0.24 0.00 0.00 174.94 175.98 1uez s ARG 28 N -3.73 1.70 4.48 0.37 1.70 -0.62 -4.67 118.95 118.18 1uez s ARG 28 Ca 0.36 -1.40 0.00 0.00 -0.47 0.00 0.00 55.73 54.21 1uez s ARG 28 Cb 0.06 0.48 0.00 0.00 -0.57 0.00 0.00 34.95 34.92 1uez s ARG 28 CO 0.19 -0.72 0.00 0.41 -1.08 0.00 0.00 175.30 174.10 1uez n GLY 29 N -0.44 0.39 0.00 3.88 0.00 -1.26 -2.95 105.19 104.80 1uez n GLY 29 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 1.50 0.31 -0.02 0.00 0.16 -4.40 105.19 102.74 1uez n GLY 30 Ca 0.00 -2.16 0.20 0.00 0.00 0.00 0.00 46.02 44.05 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 0.65 1.61 4.64 0.43 -0.10 113.55 120.79 1uez h SER 31 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1uez h SER 31 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1uez h SER 31 CO 0.00 0.02 -0.25 1.05 -0.87 0.00 0.00 176.83 176.78 1uez h GLU 32 N 0.00 0.00 -0.01 4.77 4.11 -1.83 -2.19 114.58 119.43 1uez h GLU 32 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1uez h GLU 32 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1uez h GLU 32 CO 0.00 0.25 -0.46 0.72 0.07 0.00 0.00 179.01 179.59 1uez n HIS 33 N -3.59 0.00 -0.52 2.06 8.25 -0.12 -4.94 115.22 116.35 1uez n HIS 33 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1uez n HIS 33 Cb 0.39 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.50 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 1.35 1.20 2.12 -1.41 0.00 -0.79 -4.97 105.19 102.70 1uez n GLY 34 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1uez n GLY 34 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1uez n VAL 35 N -2.00 0.00 0.00 1.61 0.24 -0.76 -4.92 118.33 112.50 1uez n VAL 35 Ca 0.00 -1.13 0.00 0.00 -2.04 0.00 0.00 64.34 61.17 1uez n VAL 35 Cb 0.00 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 31.88 1uez n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1uez n GLY 36 N 1.24 0.60 2.86 7.63 0.00 -1.26 -2.92 105.19 113.34 1uez n GLY 36 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 2.55 0.78 0.02 -0.61 -1.09 -1.26 0.40 121.20 121.99 1uez s ILE 37 Ca 0.00 -0.14 0.04 0.00 -2.23 0.00 0.00 60.65 58.32 1uez s ILE 37 Cb 0.00 -0.85 -0.02 0.00 -1.58 0.00 0.00 42.46 40.01 1uez s ILE 37 CO 0.00 0.33 -0.12 -0.31 -1.23 0.00 0.00 174.94 173.61 1uez s TYR 38 N 1.79 1.04 0.31 3.97 1.51 -1.15 -0.37 117.35 124.45 1uez s TYR 38 Ca 0.05 -0.28 -0.29 0.00 -1.01 0.00 0.00 57.07 55.53 1uez s TYR 38 Cb -0.12 -0.64 -0.12 0.00 -0.11 0.00 0.00 41.96 40.97 1uez s TYR 38 CO -0.07 0.00 1.48 0.28 -1.11 0.00 0.00 175.55 176.13 1uez n VAL 39 N 2.30 1.45 -0.04 0.71 0.31 -0.99 -1.59 118.33 120.48 1uez n VAL 39 Ca -0.16 -0.36 -0.06 0.00 -0.01 0.00 0.00 64.34 63.75 1uez n VAL 39 Cb 0.55 -1.81 -0.03 0.00 -0.91 0.00 0.00 33.84 31.64 1uez n VAL 39 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1uez n SER 40 N 1.46 2.74 -4.01 4.52 3.41 -0.56 -3.72 113.62 117.46 1uez n SER 40 Ca 0.06 -0.01 -0.11 0.00 -0.26 0.00 0.00 58.87 58.56 1uez n SER 40 Cb 0.36 -0.15 -0.11 0.00 -0.26 0.00 0.00 64.21 64.05 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 -5.67 2.23 -0.07 1.04 0.20 -1.22 -4.83 118.68 110.36 1uez s LEU 41 Ca -0.10 -0.49 -0.02 0.00 0.69 0.00 0.00 54.13 54.21 1uez s LEU 41 Cb 0.03 -0.02 0.03 0.00 -0.43 0.00 0.00 46.19 45.80 1uez s LEU 41 CO 0.17 -0.24 0.02 -0.69 -0.29 0.00 0.00 176.35 175.31 1uez s VAL 42 N -1.33 0.26 0.32 1.68 1.01 -1.26 -0.63 120.40 120.45 1uez s VAL 42 Ca -0.12 0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 1uez s VAL 42 Cb -0.09 -0.46 -0.10 0.00 0.00 0.00 0.00 36.38 35.72 1uez s VAL 42 CO -0.00 0.22 1.32 -1.61 0.00 0.00 0.00 175.10 175.02 1uez s GLU 43 N 2.02 4.35 0.82 2.72 2.02 -0.32 -4.96 118.70 125.35 1uez s GLU 43 Ca 0.05 2.21 -0.12 0.00 0.02 0.00 0.00 54.97 57.14 1uez s GLU 43 Cb -0.12 -3.08 0.09 0.00 0.10 0.00 0.00 34.13 31.11 1uez s GLU 43 CO -0.05 -0.20 1.11 -1.25 0.02 0.00 0.00 175.26 174.88 1uez s PRO 44 N -1.62 1.86 0.00 0.39 0.04 -1.26 -3.52 135.00 130.89 1uez s PRO 44 Ca 0.50 0.56 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1uez s PRO 44 Cb -0.40 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1uez s PRO 44 CO 0.52 -1.76 0.00 0.41 0.04 0.00 0.00 177.00 176.21 1uez n GLY 45 N -2.13 -0.45 4.01 0.56 0.00 -1.26 -4.85 105.19 101.08 1uez n GLY 45 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 1uez n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uez s SER 46 N -1.80 5.59 -0.01 1.61 1.04 -1.23 -5.01 113.70 113.89 1uez s SER 46 Ca 0.00 -0.41 -0.24 0.00 0.48 0.00 0.00 55.95 55.78 1uez s SER 46 Cb 0.00 -0.62 -0.19 0.00 0.10 0.00 0.00 66.02 65.32 1uez s SER 46 CO 0.00 -0.83 1.26 0.25 0.98 0.00 0.00 173.24 174.90 1uez h LEU 47 N 0.56 0.15 -0.27 2.42 5.85 -1.88 -1.93 115.31 120.20 1uez h LEU 47 Ca -0.40 -0.53 0.06 0.00 0.84 0.00 0.00 57.88 57.86 1uez h LEU 47 Cb 1.28 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.19 1uez h LEU 47 CO 0.45 0.65 -0.38 0.00 -0.34 0.00 0.00 178.44 178.82 1uez h ALA 48 N 0.51 -0.41 -0.57 1.25 0.00 -1.86 1.38 119.26 119.56 1uez h ALA 48 Ca 0.01 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1uez h ALA 48 Cb 0.61 0.77 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1uez h ALA 48 CO 0.02 -0.84 0.38 1.49 0.00 0.00 0.00 179.25 180.30 1uez h GLU 49 N -0.37 0.47 -0.04 0.00 4.22 -1.77 0.14 114.58 117.23 1uez h GLU 49 Ca 0.12 -0.03 -0.16 0.00 0.08 0.00 0.00 59.36 59.38 1uez h GLU 49 Cb 0.58 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1uez h GLU 49 CO -0.47 0.31 -0.67 0.87 -2.18 0.00 0.00 179.01 176.87 1uez h LYS 50 N 0.48 0.19 0.00 1.92 1.57 0.44 -2.72 116.57 118.45 1uez h LYS 50 Ca 0.25 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1uez h LYS 50 Cb 0.36 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1uez h LYS 50 CO -0.07 0.79 -0.08 0.93 -0.57 0.00 0.00 179.45 180.45 1uez h GLU 51 N 0.13 0.00 0.00 3.15 4.39 0.43 -3.46 114.58 119.23 1uez h GLU 51 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1uez h GLU 51 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1uez h GLU 51 CO 0.10 0.08 0.00 0.41 -1.16 0.00 0.00 179.01 178.44 1uez n GLY 52 N 0.01 1.65 3.12 -3.84 0.00 -0.58 -4.95 105.19 100.60 1uez n GLY 52 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.23 0.00 0.99 7.94 -0.46 -4.91 117.00 117.33 1uez n LEU 53 Ca 0.00 0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1uez n LEU 53 Cb 0.00 -0.76 0.00 0.00 0.53 0.00 0.00 43.42 43.19 1uez n LEU 53 CO 0.00 -3.63 0.00 0.54 -1.11 0.00 0.00 177.39 173.19 1uez n ARG 54 N 0.90 0.00 -1.35 1.96 5.12 -1.26 -4.43 116.66 117.60 1uez n ARG 54 Ca -0.00 0.00 -0.57 0.00 -1.93 0.00 0.00 57.85 55.35 1uez n ARG 54 Cb 0.65 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.85 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 -0.57 0.07 0.00 1.55 0.31 -1.26 -1.84 118.33 116.59 1uez n VAL 55 Ca 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1uez n VAL 55 Cb 0.00 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 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 6.96 4.16 3.27 2.92 0.00 -1.24 -5.02 105.19 116.24 1uez n GLY 56 Ca 0.49 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.54 -3.74 1.61 8.00 -0.77 -4.73 116.55 114.39 1uez n ASP 57 Ca 0.00 -0.25 -0.23 0.00 0.71 0.00 0.00 54.79 55.02 1uez n ASP 57 Cb 0.00 -0.98 -0.18 0.00 -0.02 0.00 0.00 41.12 39.94 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 -3.77 0.46 -0.38 -1.24 0.74 -1.26 -2.34 119.66 111.87 1uez s GLN 58 Ca 0.57 0.10 -0.29 0.00 0.05 0.00 0.00 55.36 55.79 1uez s GLN 58 Cb -0.14 -1.04 -0.00 0.00 1.10 0.00 0.00 33.01 32.93 1uez s GLN 58 CO 0.61 -0.36 1.59 0.42 -0.55 0.00 0.00 175.29 176.99 1uez s ILE 59 N 2.01 3.71 -0.09 -2.34 -1.09 0.50 -2.53 121.20 121.37 1uez s ILE 59 Ca 0.04 0.72 0.14 0.00 -2.23 0.00 0.00 60.65 59.32 1uez s ILE 59 Cb -0.13 -3.95 -0.23 0.00 -1.58 0.00 0.00 42.46 36.57 1uez s ILE 59 CO -0.05 -0.61 0.52 0.18 -1.23 0.00 0.00 174.94 173.75 1uez n LEU 60 N 9.48 0.64 -3.78 2.97 4.77 0.21 -4.26 117.00 127.04 1uez n LEU 60 Ca 0.19 0.31 -0.10 0.00 -0.03 0.00 0.00 56.01 56.38 1uez n LEU 60 Cb 0.47 0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 41.74 1uez n LEU 60 CO 0.70 0.40 -0.01 -0.13 -1.33 0.00 0.00 177.39 177.01 1uez s ARG 61 N -2.60 0.88 -0.19 3.23 0.52 -1.19 -3.00 118.95 116.59 1uez s ARG 61 Ca -0.06 -0.78 -0.04 0.00 -0.52 0.00 0.00 55.73 54.33 1uez s ARG 61 Cb 0.08 0.37 0.08 0.00 0.52 0.00 0.00 34.95 36.00 1uez s ARG 61 CO 0.83 -0.30 0.18 0.54 0.02 0.00 0.00 175.30 176.57 1uez s VAL 62 N -3.49 -0.25 0.00 3.52 0.11 -0.24 -1.60 120.40 118.45 1uez s VAL 62 Ca 0.02 -0.12 0.00 0.00 -2.93 0.00 0.00 61.98 58.95 1uez s VAL 62 Cb 0.03 -0.64 0.00 0.00 -1.53 0.00 0.00 36.38 34.24 1uez s VAL 62 CO -0.09 -0.22 0.00 -3.20 -3.33 0.00 0.00 175.10 168.26 1uez n ASN 63 N 5.31 0.00 0.00 3.54 2.85 -0.77 -3.34 115.26 122.86 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 3.62 0.00 -4.75 1.20 -0.08 -1.26 -4.51 116.55 110.77 1uez n ASP 64 Ca 0.00 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.97 1uez n ASP 64 Cb 0.00 0.19 0.11 0.00 2.34 0.00 0.00 41.12 43.76 1uez n ASP 64 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1uez s LYS 65 N -1.69 1.98 -0.09 -0.67 -0.14 -1.21 -4.99 119.74 112.93 1uez s LYS 65 Ca 0.00 1.24 -0.02 0.00 -1.36 0.00 0.00 55.97 55.82 1uez s LYS 65 Cb 0.00 -1.86 -0.03 0.00 -1.68 0.00 0.00 37.83 34.26 1uez s LYS 65 CO 0.00 -1.86 0.01 -1.54 -0.76 0.00 0.00 175.35 171.20 1uez s SER 66 N -3.25 5.33 -0.63 2.83 1.04 -1.26 -1.08 113.70 116.68 1uez s SER 66 Ca 0.62 0.17 -0.02 0.00 0.48 0.00 0.00 55.95 57.20 1uez s SER 66 Cb -0.18 -1.53 0.34 0.00 0.10 0.00 0.00 66.02 64.75 1uez s SER 66 CO 0.56 0.38 2.12 0.18 0.98 0.00 0.00 173.24 177.46 1uez n LEU 67 N 2.14 7.32 -0.36 2.42 4.77 -1.16 -4.73 117.00 127.39 1uez n LEU 67 Ca -0.19 -4.24 -0.11 0.00 -0.03 0.00 0.00 56.01 51.45 1uez n LEU 67 Cb 0.54 -1.05 -0.09 0.00 -2.33 0.00 0.00 43.42 40.49 1uez n LEU 67 CO 0.29 1.53 0.48 0.00 -1.33 0.00 0.00 177.39 178.36 1uez h ALA 68 N 2.28 -0.54 -1.54 -1.18 0.00 -1.90 -3.38 119.26 113.00 1uez h ALA 68 Ca 0.52 0.10 -0.21 0.00 0.00 0.00 0.00 54.91 55.32 1uez h ALA 68 Cb 0.61 1.32 -0.26 0.00 0.00 0.00 0.00 17.79 19.46 1uez h ALA 68 CO 1.33 -0.91 -0.56 1.03 0.00 0.00 0.00 179.25 180.14 1uez s ARG 69 N -5.34 0.64 0.06 0.00 0.52 -1.26 -4.26 118.95 109.31 1uez s ARG 69 Ca -0.11 -0.37 0.02 0.00 -0.52 0.00 0.00 55.73 54.75 1uez s ARG 69 Cb 0.10 -0.32 -0.03 0.00 0.52 0.00 0.00 34.95 35.22 1uez s ARG 69 CO 0.58 -1.15 -0.07 0.14 0.02 0.00 0.00 175.30 174.82 1uez s VAL 70 N 1.90 0.56 0.51 3.52 -7.23 -1.26 -4.72 120.40 113.68 1uez s VAL 70 Ca 0.15 -1.43 -0.23 0.00 -1.81 0.00 0.00 61.98 58.65 1uez s VAL 70 Cb -0.11 -1.05 -0.06 0.00 0.56 0.00 0.00 36.38 35.73 1uez s VAL 70 CO -0.12 -0.60 1.39 0.42 -0.31 0.00 0.00 175.10 175.87 1uez s THR 71 N -2.36 2.06 0.56 5.32 -4.23 -1.26 0.73 115.64 116.46 1uez s THR 71 Ca -0.01 0.05 0.41 0.00 -1.18 0.00 0.00 61.69 60.96 1uez s THR 71 Cb -0.03 -3.03 0.61 0.00 1.34 0.00 0.00 72.50 71.39 1uez s THR 71 CO -0.02 0.00 1.67 -0.74 -0.54 0.00 0.00 174.62 174.99 1uez h HIS 72 N 1.77 0.00 0.02 3.99 2.76 -1.91 1.03 115.15 122.82 1uez h HIS 72 Ca -0.51 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.66 1uez h HIS 72 Cb 1.29 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.25 1uez h HIS 72 CO 0.47 0.00 -0.01 0.00 -1.30 0.00 0.00 177.93 177.09 1uez h ALA 73 N 1.17 -0.03 -0.05 5.26 0.00 -1.95 -2.43 119.26 121.23 1uez h ALA 73 Ca 0.69 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 55.34 1uez h ALA 73 Cb 2.88 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 20.63 1uez h ALA 73 CO -0.01 -0.23 -0.47 0.93 0.00 0.00 0.00 179.25 179.47 1uez h GLU 74 N -0.61 -0.53 -0.44 0.00 4.39 0.76 1.01 114.58 119.17 1uez h GLU 74 Ca -0.00 0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.82 1uez h GLU 74 Cb 0.57 0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 29.24 1uez h GLU 74 CO 0.01 -0.35 -0.32 0.00 -1.16 0.00 0.00 179.01 177.18 1uez h ALA 75 N -0.52 -0.15 0.12 3.43 0.00 -1.46 0.14 119.26 120.82 1uez h ALA 75 Ca 0.02 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1uez h ALA 75 Cb 0.61 0.72 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1uez h ALA 75 CO -0.34 -0.71 -0.41 0.28 0.00 0.00 0.00 179.25 178.06 1uez h VAL 76 N -0.23 0.17 -0.37 0.00 2.07 -0.81 1.65 116.25 118.72 1uez h VAL 76 Ca 0.18 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.81 1uez h VAL 76 Cb 0.54 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1uez h VAL 76 CO -0.57 0.00 0.62 0.11 0.02 0.00 0.00 177.57 177.75 1uez h LYS 77 N -0.65 0.00 0.03 1.57 6.56 0.24 0.36 116.57 124.68 1uez h LYS 77 Ca 0.02 0.00 -0.25 0.00 -1.06 0.00 0.00 60.65 59.36 1uez h LYS 77 Cb 0.67 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.30 1uez h LYS 77 CO -0.24 0.00 -1.38 0.00 -2.06 0.00 0.00 179.45 175.77 1uez h ALA 78 N 1.12 0.29 -0.48 3.86 0.00 0.25 -3.33 119.26 120.96 1uez h ALA 78 Ca 0.18 -1.23 0.14 0.00 0.00 0.00 0.00 54.91 53.99 1uez h ALA 78 Cb 1.41 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 19.90 1uez h ALA 78 CO -0.00 0.81 0.44 -0.07 0.00 0.00 0.00 179.25 180.42 1uez h LEU 79 N -0.79 0.00 -9.81 0.00 3.38 0.58 -3.42 115.31 105.25 1uez h LEU 79 Ca -0.36 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.04 1uez h LEU 79 Cb 1.44 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.36 1uez h LEU 79 CO -0.15 0.00 0.08 0.29 0.09 0.00 0.00 178.44 178.75 1uez n LYS 80 N -3.94 0.84 -1.02 1.13 5.02 0.75 -4.86 118.16 116.09 1uez n LYS 80 Ca 0.09 0.33 -0.35 0.00 -2.02 0.00 0.00 58.31 56.36 1uez n LYS 80 Cb 0.64 -2.13 0.03 0.00 -0.02 0.00 0.00 35.03 33.54 1uez n LYS 80 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uez n GLY 81 N 1.33 -4.03 0.00 0.72 0.00 -1.26 -4.96 105.19 96.99 1uez n GLY 81 Ca 0.14 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 3.04 0.00 -3.38 1.61 7.64 -1.26 -5.03 113.62 116.24 1uez n SER 82 Ca 0.01 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.59 1uez n SER 82 Cb 0.51 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.74 1uez n SER 82 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1uez n LYS 83 N 0.00 -1.79 -1.59 1.43 5.02 -1.26 -4.56 118.16 115.40 1uez n LYS 83 Ca 0.00 1.45 0.00 0.00 -2.02 0.00 0.00 58.31 57.74 1uez n LYS 83 Cb 0.00 -2.37 0.00 0.00 -0.02 0.00 0.00 35.03 32.64 1uez n LYS 83 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1uez n LYS 84 N 0.03 -4.50 -4.71 1.97 4.81 -1.26 -5.01 118.16 109.49 1uez n LYS 84 Ca -0.05 3.29 -0.24 0.00 -0.87 0.00 0.00 58.31 60.44 1uez n LYS 84 Cb 0.62 -3.66 -0.16 0.00 0.02 0.00 0.00 35.03 31.85 1uez n LYS 84 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1uez s LEU 85 N -2.51 1.90 -0.27 3.14 2.96 -1.26 -4.91 118.68 117.73 1uez s LEU 85 Ca 0.00 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1uez s LEU 85 Cb 0.00 -0.84 0.06 0.00 0.50 0.00 0.00 46.19 45.91 1uez s LEU 85 CO 0.00 0.14 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.39 1uez s VAL 86 N 0.03 2.35 -0.25 1.68 1.01 -1.26 -3.95 120.40 120.01 1uez s VAL 86 Ca -0.02 -1.60 -0.26 0.00 0.00 0.00 0.00 61.98 60.10 1uez s VAL 86 Cb -0.10 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1uez s VAL 86 CO 0.01 -0.06 0.89 -0.76 0.00 0.00 0.00 175.10 175.18 1uez s LEU 87 N 1.13 4.08 -0.50 3.92 2.01 0.60 -1.84 118.68 128.08 1uez s LEU 87 Ca -0.08 1.07 -0.16 0.00 0.01 0.00 0.00 54.13 54.97 1uez s LEU 87 Cb -0.20 -3.28 0.08 0.00 0.01 0.00 0.00 46.19 42.80 1uez s LEU 87 CO -0.04 -0.59 0.47 -0.44 1.01 0.00 0.00 176.35 176.76 1uez s SER 88 N 1.36 6.17 -0.05 2.29 0.01 -0.63 0.85 113.70 123.70 1uez s SER 88 Ca 0.37 -1.35 0.04 0.00 1.31 0.00 0.00 55.95 56.33 1uez s SER 88 Cb -0.15 -2.21 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 1uez s SER 88 CO 0.08 -0.75 -0.17 0.68 0.41 0.00 0.00 173.24 173.50 1uez s VAL 89 N 1.84 2.87 -0.20 3.43 -7.23 -0.84 0.67 120.40 120.93 1uez s VAL 89 Ca 0.06 -0.80 -0.17 0.00 -1.81 0.00 0.00 61.98 59.26 1uez s VAL 89 Cb -0.24 -2.10 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 1uez s VAL 89 CO 0.07 0.59 0.47 -0.47 -0.31 0.00 0.00 175.10 175.44 1uez s TYR 90 N -0.67 3.37 0.15 2.82 5.04 -1.05 0.20 117.35 127.21 1uez s TYR 90 Ca 0.10 0.70 -0.06 0.00 -2.44 0.00 0.00 57.07 55.37 1uez s TYR 90 Cb -0.11 -2.61 -0.06 0.00 0.35 0.00 0.00 41.96 39.53 1uez s TYR 90 CO 0.00 -0.07 0.40 -1.54 -1.34 0.00 0.00 175.55 173.01 1uez s SER 91 N 1.12 6.53 -0.37 4.32 1.04 -1.22 -4.23 113.70 120.90 1uez s SER 91 Ca 0.22 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.31 1uez s SER 91 Cb -0.15 -2.12 0.13 0.00 0.10 0.00 0.00 66.02 63.98 1uez s SER 91 CO 0.09 0.05 0.19 0.00 0.98 0.00 0.00 173.24 174.55 1uez s ALA 92 N -1.64 1.36 0.00 5.32 0.00 -1.26 -4.45 121.76 121.09 1uez s ALA 92 Ca 0.41 -1.97 0.00 0.00 0.00 0.00 0.00 51.96 50.40 1uez s ALA 92 Cb -0.12 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1uez s ALA 92 CO 0.23 -1.98 0.00 0.41 0.00 0.00 0.00 175.76 174.42 1uez n GLY 93 N 4.15 1.23 3.85 0.00 0.00 -1.26 -5.01 105.19 108.16 1uez n GLY 93 Ca 0.07 -2.05 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 1uez n GLY 93 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uez s ARG 94 N -1.75 3.85 0.09 1.61 1.81 -1.26 -5.09 118.95 118.21 1uez s ARG 94 Ca 0.00 0.31 0.06 0.00 -1.72 0.00 0.00 55.73 54.38 1uez s ARG 94 Cb 0.00 -3.05 -0.04 0.00 -0.45 0.00 0.00 34.95 31.41 1uez s ARG 94 CO 0.00 0.58 -0.09 -1.50 -0.68 0.00 0.00 175.30 173.62 1uez s ILE 95 N -1.32 3.46 -0.13 1.52 2.07 -1.26 -5.12 121.20 120.42 1uez s ILE 95 Ca 0.31 -1.19 -0.03 0.00 -1.41 0.00 0.00 60.65 58.33 1uez s ILE 95 Cb -0.15 -2.61 -0.03 0.00 0.13 0.00 0.00 42.46 39.80 1uez s ILE 95 CO 0.17 0.14 -0.03 -0.44 -1.91 0.00 0.00 174.94 172.87 1uez s SER 96 N -2.13 4.93 0.34 4.50 0.01 -1.26 -5.10 113.70 114.99 1uez s SER 96 Ca 0.21 -0.03 -0.02 0.00 1.31 0.00 0.00 55.95 57.42 1uez s SER 96 Cb -0.11 -1.63 0.01 0.00 0.21 0.00 0.00 66.02 64.50 1uez s SER 96 CO 0.14 0.25 0.47 0.61 0.41 0.00 0.00 173.24 175.11 1uez n GLY 97 N 3.00 2.14 3.82 3.44 0.00 -1.26 -5.16 105.19 111.16 1uez n GLY 97 Ca -0.18 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.76 3.05 -0.16 1.61 0.04 -1.26 -5.02 135.00 130.50 1uez s PRO 98 Ca 0.28 1.01 -0.13 0.00 0.04 0.00 0.00 61.00 62.20 1uez s PRO 98 Cb -0.01 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 1uez s PRO 98 CO 0.20 -1.01 -0.20 0.45 0.04 0.00 0.00 177.00 176.48 1uez n SER 99 N -2.84 1.85 -4.65 6.66 2.88 -1.26 -4.91 113.62 111.36 1uez n SER 99 Ca 0.08 0.53 -0.49 0.00 -1.33 0.00 0.00 58.87 57.65 1uez n SER 99 Cb 0.53 -0.84 -0.05 0.00 -0.75 0.00 0.00 64.21 63.10 1uez n SER 99 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uez n SER 100 N -4.54 2.63 0.00 -3.46 2.88 -1.26 -5.36 113.62 104.50 1uez n SER 100 Ca -0.13 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1uez n SER 100 Cb 0.39 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 1uez n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42