#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 5.08 -0.16 1.61 1.04 -1.26 -5.11 113.70 114.90 1uez s SER 2 Ca 0.00 -0.18 -0.04 0.00 0.48 0.00 0.00 55.95 56.21 1uez s SER 2 Cb 0.00 -1.22 0.07 0.00 0.10 0.00 0.00 66.02 64.97 1uez s SER 2 CO 0.00 0.16 0.15 -0.55 0.98 0.00 0.00 173.24 173.99 1uez s SER 3 N -2.41 1.61 -0.40 7.02 0.15 -1.26 -5.08 113.70 113.34 1uez s SER 3 Ca 0.26 -0.25 0.03 0.00 0.70 0.00 0.00 55.95 56.69 1uez s SER 3 Cb -0.11 0.11 0.16 0.00 -1.71 0.00 0.00 66.02 64.46 1uez s SER 3 CO 0.19 -0.32 0.36 -0.83 1.20 0.00 0.00 173.24 173.84 1uez s GLY 4 N 2.24 0.59 -0.13 9.45 0.00 -1.26 -4.98 107.32 113.24 1uez s GLY 4 Ca 0.04 -1.78 -0.14 0.00 0.00 0.00 0.00 44.72 42.84 1uez s GLY 4 CO -0.09 2.41 -0.27 -1.26 0.00 0.00 0.00 173.10 173.88 1uez n SER 5 N 3.44 1.72 -4.64 1.64 2.88 -1.26 -4.93 113.62 112.48 1uez n SER 5 Ca 0.20 0.28 -0.42 0.00 -1.33 0.00 0.00 58.87 57.60 1uez n SER 5 Cb 0.45 -0.65 -0.03 0.00 -0.75 0.00 0.00 64.21 63.24 1uez n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uez s SER 6 N -6.08 6.23 0.00 -3.46 0.15 -1.26 -4.55 113.70 104.73 1uez s SER 6 Ca -0.24 2.15 0.00 0.00 0.70 0.00 0.00 55.95 58.56 1uez s SER 6 Cb 0.04 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1uez s SER 6 CO 0.34 -1.30 0.00 0.61 1.20 0.00 0.00 173.24 174.09 1uez n GLY 7 N 4.80 -0.00 3.19 9.45 0.00 -1.26 -5.03 105.19 116.34 1uez n GLY 7 Ca 0.21 -1.19 0.04 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.06 0.29 -0.04 1.61 2.02 -1.02 -5.04 118.70 112.45 1uez s GLU 8 Ca 0.00 0.55 -0.30 0.00 0.02 0.00 0.00 54.97 55.24 1uez s GLU 8 Cb 0.00 0.31 -0.04 0.00 0.10 0.00 0.00 34.13 34.50 1uez s GLU 8 CO 0.00 -0.27 1.24 0.08 0.02 0.00 0.00 175.26 176.32 1uez s VAL 9 N 2.85 4.15 0.44 2.63 1.01 -1.26 -3.12 120.40 127.08 1uez s VAL 9 Ca 0.03 1.49 0.02 0.00 0.00 0.00 0.00 61.98 63.52 1uez s VAL 9 Cb -0.11 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.32 1uez s VAL 9 CO -0.14 0.00 0.64 0.00 0.00 0.00 0.00 175.10 175.60 1uez s ARG 10 N 2.19 3.03 -0.27 2.72 1.70 0.42 -4.97 118.95 123.77 1uez s ARG 10 Ca 0.57 -0.62 0.03 0.00 -0.47 0.00 0.00 55.73 55.24 1uez s ARG 10 Cb -0.26 -2.61 0.06 0.00 -0.57 0.00 0.00 34.95 31.58 1uez s ARG 10 CO 0.23 -0.24 -0.08 -0.51 -1.08 0.00 0.00 175.30 173.62 1uez s LEU 11 N -4.50 3.63 -0.10 -1.89 1.43 -1.26 -2.78 118.68 113.21 1uez s LEU 11 Ca 0.48 -1.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.07 1uez s LEU 11 Cb -0.10 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1uez s LEU 11 CO 0.37 -0.22 0.10 -0.69 0.23 0.00 0.00 176.35 176.14 1uez s VAL 12 N 1.10 5.13 -0.09 -1.59 1.01 0.12 -4.94 120.40 121.13 1uez s VAL 12 Ca -0.07 0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1uez s VAL 12 Cb -0.20 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 32.97 1uez s VAL 12 CO -0.05 0.58 -0.10 -0.55 0.00 0.00 0.00 175.10 174.98 1uez s SER 13 N -1.08 1.96 -0.07 3.32 0.15 -1.26 0.23 113.70 116.95 1uez s SER 13 Ca 0.16 -0.31 0.04 0.00 0.70 0.00 0.00 55.95 56.54 1uez s SER 13 Cb -0.12 -0.84 0.00 0.00 -1.71 0.00 0.00 66.02 63.35 1uez s SER 13 CO 0.05 -0.03 -0.19 -0.76 1.20 0.00 0.00 173.24 173.50 1uez s LEU 14 N 1.12 1.92 0.04 3.45 2.01 -1.25 -4.79 118.68 121.18 1uez s LEU 14 Ca -0.06 -0.44 0.04 0.00 0.01 0.00 0.00 54.13 53.68 1uez s LEU 14 Cb -0.14 -1.15 -0.02 0.00 0.01 0.00 0.00 46.19 44.89 1uez s LEU 14 CO -0.02 0.13 -0.11 -0.60 1.01 0.00 0.00 176.35 176.76 1uez s ARG 15 N 0.31 0.74 0.00 1.70 3.52 -1.26 -4.28 118.95 119.68 1uez s ARG 15 Ca -0.13 -0.70 0.00 0.00 -0.13 0.00 0.00 55.73 54.77 1uez s ARG 15 Cb -0.16 -0.68 0.00 0.00 -1.56 0.00 0.00 34.95 32.56 1uez s ARG 15 CO 0.05 0.16 0.00 -2.13 -0.81 0.00 0.00 175.30 172.57 1uez n ARG 16 N 1.85 0.00 -3.18 5.12 0.63 -1.26 -5.04 116.66 114.77 1uez n ARG 16 Ca -0.19 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.64 1uez n ARG 16 Cb 0.55 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.47 1uez n ARG 16 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1uez n ALA 17 N -1.77 -2.67 -3.18 5.13 0.00 -1.26 -5.02 120.51 111.74 1uez n ALA 17 Ca 0.00 0.28 0.05 0.00 0.00 0.00 0.00 53.44 53.77 1uez n ALA 17 Cb 0.00 -2.01 -0.03 0.00 0.00 0.00 0.00 19.45 17.42 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 -3.20 0.11 -0.67 0.00 2.20 -1.26 -5.05 119.74 111.86 1uez s LYS 18 Ca 0.10 0.21 -0.19 0.00 -0.36 0.00 0.00 55.97 55.74 1uez s LYS 18 Cb -0.02 0.12 -0.15 0.00 -1.51 0.00 0.00 37.83 36.27 1uez s LYS 18 CO 0.79 -0.09 1.88 0.00 -0.36 0.00 0.00 175.35 177.57 1uez n ALA 19 N 5.22 3.19 -0.03 3.13 0.00 -1.26 -3.90 120.51 126.86 1uez n ALA 19 Ca -0.08 -2.81 -0.05 0.00 0.00 0.00 0.00 53.44 50.49 1uez n ALA 19 Cb 0.54 -3.47 -0.02 0.00 0.00 0.00 0.00 19.45 16.51 1uez n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1uez n HIS 20 N 6.88 0.00 0.00 0.00 -0.00 -1.26 -4.97 115.22 115.87 1uez n HIS 20 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.18 1uez n HIS 20 Cb 0.33 -0.20 0.00 0.00 -0.00 0.00 0.00 29.99 30.12 1uez n HIS 20 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1uez n GLU 21 N -3.05 0.00 0.00 -0.41 0.28 -1.25 -5.15 120.64 111.05 1uez n GLU 21 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 1uez n GLU 21 Cb 0.59 -0.22 0.00 0.00 1.43 0.00 0.00 31.44 33.24 1uez n GLU 21 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1uez n GLY 22 N 1.91 0.71 0.35 -1.84 0.00 -1.26 -4.75 105.19 100.30 1uez n GLY 22 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 46.02 45.40 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 2.03 0.00 0.99 4.77 -1.26 -4.79 117.00 118.75 1uez n LEU 23 Ca 0.00 -1.43 0.00 0.00 -0.03 0.00 0.00 56.01 54.55 1uez n LEU 23 Cb 0.00 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1uez n LEU 23 CO 0.00 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1uez n GLY 24 N 0.30 3.32 3.11 -0.72 0.00 -1.26 -4.34 105.19 105.60 1uez n GLY 24 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.89 1.51 0.24 1.61 -0.12 -1.26 -1.87 117.98 115.20 1uez s PHE 25 Ca 0.00 -0.40 -0.05 0.00 -0.05 0.00 0.00 56.93 56.43 1uez s PHE 25 Cb 0.00 -1.02 -0.05 0.00 -0.63 0.00 0.00 43.02 41.32 1uez s PHE 25 CO 0.00 -0.13 0.49 -1.12 -0.05 0.00 0.00 175.22 174.41 1uez s SER 26 N 0.00 6.46 0.37 1.98 0.01 0.72 -4.95 113.70 118.30 1uez s SER 26 Ca -0.02 0.66 0.08 0.00 1.31 0.00 0.00 55.95 57.98 1uez s SER 26 Cb -0.10 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 1uez s SER 26 CO 0.01 -0.11 0.16 0.27 0.41 0.00 0.00 173.24 173.99 1uez s ILE 27 N -1.94 2.71 0.22 1.44 -4.36 -1.26 -0.28 121.20 117.73 1uez s ILE 27 Ca 0.43 -1.69 -0.12 0.00 -0.26 0.00 0.00 60.65 59.01 1uez s ILE 27 Cb -0.11 -2.97 -0.00 0.00 1.25 0.00 0.00 42.46 40.63 1uez s ILE 27 CO 0.28 -0.11 0.41 0.00 0.24 0.00 0.00 174.94 175.76 1uez s ARG 28 N -3.88 1.41 0.79 0.37 1.70 -0.05 -4.62 118.95 114.67 1uez s ARG 28 Ca 0.39 -1.22 0.00 0.00 -0.47 0.00 0.00 55.73 54.44 1uez s ARG 28 Cb -0.00 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.82 1uez s ARG 28 CO 0.23 -0.57 0.00 0.41 -1.08 0.00 0.00 175.30 174.29 1uez n GLY 29 N -0.33 0.93 0.00 3.88 0.00 -1.26 -2.77 105.19 105.64 1uez n GLY 29 Ca -0.04 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 3.09 0.34 -0.02 0.00 0.10 -4.62 105.19 104.08 1uez n GLY 30 Ca 0.00 -1.68 0.18 0.00 0.00 0.00 0.00 46.02 44.52 1uez n GLY 30 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1uez h SER 31 N 0.00 0.00 0.54 1.61 0.87 0.32 0.44 113.55 117.33 1uez h SER 31 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1uez h SER 31 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1uez h SER 31 CO 0.00 0.00 -0.01 1.05 -0.53 0.00 0.00 176.83 177.34 1uez h GLU 32 N 0.00 0.00 -0.00 2.24 4.11 -1.83 -1.20 114.58 117.90 1uez h GLU 32 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 1uez h GLU 32 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1uez h GLU 32 CO -0.00 0.01 -0.56 0.72 0.07 0.00 0.00 179.01 179.25 1uez n HIS 33 N -3.11 0.00 -0.29 2.06 8.25 0.15 -4.96 115.22 117.32 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 0.20 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 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 1.26 0.69 3.73 -1.41 0.00 -0.45 -5.01 105.19 104.00 1uez n GLY 34 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.45 2.81 0.00 1.61 -7.23 -0.97 -4.92 120.40 109.25 1uez s VAL 35 Ca 0.00 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 1uez s VAL 35 Cb 0.00 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.98 1uez s VAL 35 CO 0.00 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 1uez n GLY 36 N -1.17 0.78 3.10 2.32 0.00 -1.26 -1.62 105.19 107.34 1uez n GLY 36 Ca -0.02 0.00 -0.18 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 0.81 0.90 0.00 -0.61 -1.09 -1.26 0.01 121.20 119.96 1uez s ILE 37 Ca 0.00 -0.84 -0.29 0.00 -2.23 0.00 0.00 60.65 57.29 1uez s ILE 37 Cb 0.00 -0.82 0.07 0.00 -1.58 0.00 0.00 42.46 40.13 1uez s ILE 37 CO 0.00 -0.00 0.67 -0.31 -1.23 0.00 0.00 174.94 174.07 1uez s TYR 38 N -0.75 -0.61 0.16 3.97 1.51 -1.11 -2.26 117.35 118.25 1uez s TYR 38 Ca 0.00 0.89 -0.31 0.00 -1.01 0.00 0.00 57.07 56.64 1uez s TYR 38 Cb -0.07 0.45 -0.09 0.00 -0.11 0.00 0.00 41.96 42.14 1uez s TYR 38 CO 0.01 -0.66 1.49 0.08 -1.11 0.00 0.00 175.55 175.35 1uez s VAL 39 N -1.88 2.85 -0.15 0.71 1.01 -0.69 -0.87 120.40 121.38 1uez s VAL 39 Ca -0.07 0.62 0.04 0.00 0.00 0.00 0.00 61.98 62.57 1uez s VAL 39 Cb -0.00 -3.40 -0.12 0.00 0.00 0.00 0.00 36.38 32.86 1uez s VAL 39 CO 0.03 0.06 -0.08 -1.54 0.00 0.00 0.00 175.10 173.57 1uez n SER 40 N 3.70 2.54 -3.83 3.32 3.41 0.62 -2.98 113.62 120.40 1uez n SER 40 Ca 0.12 -0.06 -0.12 0.00 -0.26 0.00 0.00 58.87 58.55 1uez n SER 40 Cb 0.40 0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 64.32 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 -5.60 1.38 -0.10 1.04 0.20 -1.17 -4.87 118.68 109.57 1uez s LEU 41 Ca -0.16 0.17 -0.02 0.00 0.69 0.00 0.00 54.13 54.81 1uez s LEU 41 Cb 0.05 0.65 0.04 0.00 -0.43 0.00 0.00 46.19 46.50 1uez s LEU 41 CO 0.40 -0.17 0.03 -0.69 -0.29 0.00 0.00 176.35 175.63 1uez s VAL 42 N -0.42 0.26 0.34 1.68 1.01 -1.26 -0.20 120.40 121.80 1uez s VAL 42 Ca -0.05 0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.68 1uez s VAL 42 Cb -0.03 -0.54 -0.10 0.00 0.00 0.00 0.00 36.38 35.70 1uez s VAL 42 CO 0.01 0.11 1.30 -1.61 0.00 0.00 0.00 175.10 174.91 1uez s GLU 43 N 2.01 4.32 0.83 2.72 2.02 -0.78 -4.94 118.70 124.87 1uez s GLU 43 Ca 0.04 2.20 -0.12 0.00 0.02 0.00 0.00 54.97 57.11 1uez s GLU 43 Cb -0.13 -3.03 0.09 0.00 0.10 0.00 0.00 34.13 31.15 1uez s GLU 43 CO -0.06 -0.21 1.11 -1.25 0.02 0.00 0.00 175.26 174.87 1uez s PRO 44 N -1.85 1.83 -0.04 0.39 0.04 -1.26 -3.53 135.00 130.58 1uez s PRO 44 Ca 0.50 0.55 -0.01 0.00 0.04 0.00 0.00 61.00 62.08 1uez s PRO 44 Cb -0.39 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.26 1uez s PRO 44 CO 0.52 -1.78 0.01 0.41 0.04 0.00 0.00 177.00 176.21 1uez n GLY 45 N -2.13 -0.45 4.02 0.56 0.00 -1.26 -4.85 105.19 101.08 1uez n GLY 45 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.83 5.14 -0.04 1.61 1.04 -1.23 -5.01 113.70 113.37 1uez s SER 46 Ca 0.02 -0.82 -0.25 0.00 0.48 0.00 0.00 55.95 55.38 1uez s SER 46 Cb -0.01 0.15 -0.19 0.00 0.10 0.00 0.00 66.02 66.07 1uez s SER 46 CO 0.02 -1.22 1.09 0.25 0.98 0.00 0.00 173.24 174.36 1uez h LEU 47 N 0.32 -0.09 -0.09 2.42 5.85 -1.88 -2.28 115.31 119.56 1uez h LEU 47 Ca -0.32 -0.46 0.02 0.00 0.84 0.00 0.00 57.88 57.95 1uez h LEU 47 Cb 1.29 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 1uez h LEU 47 CO 0.43 0.46 -0.32 0.00 -0.34 0.00 0.00 178.44 178.67 1uez h ALA 48 N 0.13 -0.70 -0.77 1.25 0.00 -1.87 0.67 119.26 117.96 1uez h ALA 48 Ca -0.01 -0.03 0.22 0.00 0.00 0.00 0.00 54.91 55.09 1uez h ALA 48 Cb 0.55 0.84 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1uez h ALA 48 CO 0.02 -0.82 0.63 1.49 0.00 0.00 0.00 179.25 180.57 1uez h GLU 49 N -0.34 0.00 -0.04 0.00 4.57 -1.74 1.08 114.58 118.11 1uez h GLU 49 Ca 0.02 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.01 1uez h GLU 49 Cb 0.40 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1uez h GLU 49 CO -0.26 0.00 -0.80 -0.22 -1.18 0.00 0.00 179.01 176.55 1uez h LYS 50 N 0.00 0.36 0.00 1.92 3.64 0.38 -2.83 116.57 120.03 1uez h LYS 50 Ca 0.37 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1uez h LYS 50 Cb 1.63 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.52 1uez h LYS 50 CO -0.00 0.98 0.00 0.93 -2.27 0.00 0.00 179.45 179.09 1uez h GLU 51 N 0.23 0.00 0.00 1.90 4.39 0.66 -3.46 114.58 118.29 1uez h GLU 51 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1uez h GLU 51 Cb 1.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1uez h GLU 51 CO 0.13 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.39 1uez n GLY 52 N 0.14 0.91 3.13 -3.84 0.00 -0.66 -4.86 105.19 100.01 1uez n GLY 52 Ca 0.02 0.00 -0.38 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 -4.45 -3.60 0.99 7.94 -1.07 -4.89 117.00 111.92 1uez n LEU 53 Ca 0.00 0.49 -0.08 0.00 -1.11 0.00 0.00 56.01 55.30 1uez n LEU 53 Cb 0.00 -0.81 -0.05 0.00 0.53 0.00 0.00 43.42 43.08 1uez n LEU 53 CO 0.00 -5.18 0.86 0.00 -1.11 0.00 0.00 177.39 171.95 1uez s ARG 54 N -1.34 0.45 -0.55 1.96 3.03 -1.26 -4.23 118.95 117.01 1uez s ARG 54 Ca 0.51 0.20 -0.29 0.00 2.03 0.00 0.00 55.73 58.18 1uez s ARG 54 Cb -0.38 0.22 -0.11 0.00 -1.03 0.00 0.00 34.95 33.64 1uez s ARG 54 CO 0.71 -0.12 2.42 0.28 -1.13 0.00 0.00 175.30 177.46 1uez n VAL 55 N 1.03 0.02 0.00 4.99 0.31 -1.26 -2.94 118.33 120.48 1uez n VAL 55 Ca -0.09 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 1uez n VAL 55 Cb 0.58 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 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 6.22 0.46 3.69 2.92 0.00 -1.16 -5.01 105.19 112.31 1uez n GLY 56 Ca 0.44 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 1uez n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uez s ASP 57 N -0.90 4.06 -0.21 1.61 1.01 -1.15 -4.91 116.67 116.17 1uez s ASP 57 Ca 0.00 -1.42 -0.02 0.00 0.71 0.00 0.00 52.55 51.83 1uez s ASP 57 Cb 0.00 -0.09 0.06 0.00 1.01 0.00 0.00 42.92 43.90 1uez s ASP 57 CO 0.00 -0.61 0.02 -1.58 0.21 0.00 0.00 175.17 173.21 1uez s GLN 58 N -3.81 0.87 -0.90 8.23 0.74 -1.26 -1.70 119.66 121.83 1uez s GLN 58 Ca 0.27 -0.61 -0.25 0.00 0.05 0.00 0.00 55.36 54.82 1uez s GLN 58 Cb 0.06 -2.20 -0.04 0.00 1.10 0.00 0.00 33.01 31.93 1uez s GLN 58 CO 0.14 -0.67 1.91 0.42 -0.55 0.00 0.00 175.29 176.54 1uez s ILE 59 N 1.74 3.48 0.03 -2.34 -1.09 -0.96 -2.93 121.20 119.13 1uez s ILE 59 Ca -0.01 -0.37 -0.22 0.00 -2.23 0.00 0.00 60.65 57.82 1uez s ILE 59 Cb -0.17 -4.08 -0.15 0.00 -1.58 0.00 0.00 42.46 36.48 1uez s ILE 59 CO -0.09 -1.02 1.38 -0.07 -1.23 0.00 0.00 174.94 173.91 1uez h LEU 60 N 17.44 0.25 -8.42 2.97 3.38 0.21 -3.41 115.31 127.73 1uez h LEU 60 Ca 0.09 -0.42 -0.22 0.00 0.09 0.00 0.00 57.88 57.42 1uez h LEU 60 Cb 1.01 -0.07 -0.15 0.00 0.09 0.00 0.00 40.66 41.54 1uez h LEU 60 CO 1.23 0.61 -0.70 -0.13 0.09 0.00 0.00 178.44 179.54 1uez s ARG 61 N -4.55 0.81 -0.17 1.13 0.52 -1.16 -2.75 118.95 112.78 1uez s ARG 61 Ca -0.15 -1.30 -0.04 0.00 -0.52 0.00 0.00 55.73 53.73 1uez s ARG 61 Cb 0.05 -0.19 0.08 0.00 0.52 0.00 0.00 34.95 35.40 1uez s ARG 61 CO 0.72 -0.02 0.18 0.54 0.02 0.00 0.00 175.30 176.74 1uez s VAL 62 N -3.50 -0.25 0.00 3.52 0.11 -0.57 -0.00 120.40 119.71 1uez s VAL 62 Ca 0.10 -0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 1uez s VAL 62 Cb 0.04 -0.57 0.00 0.00 -1.53 0.00 0.00 36.38 34.32 1uez s VAL 62 CO -0.05 -0.15 0.00 -3.20 -3.33 0.00 0.00 175.10 168.37 1uez n ASN 63 N 5.31 0.00 0.00 3.54 2.85 0.67 -3.12 115.26 124.52 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 3.66 0.00 -4.77 1.20 2.03 -1.26 -4.59 116.55 112.82 1uez n ASP 64 Ca 0.00 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.93 1uez n ASP 64 Cb 0.00 0.06 -0.01 0.00 -0.72 0.00 0.00 41.12 40.45 1uez n ASP 64 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1uez s LYS 65 N -1.29 3.82 -0.29 -0.67 2.20 -1.18 -5.00 119.74 117.33 1uez s LYS 65 Ca 0.00 1.91 -0.12 0.00 -0.36 0.00 0.00 55.97 57.40 1uez s LYS 65 Cb 0.00 -2.53 -0.04 0.00 -1.51 0.00 0.00 37.83 33.75 1uez s LYS 65 CO 0.00 -0.54 0.24 -1.54 -0.36 0.00 0.00 175.35 173.15 1uez s SER 66 N -1.14 6.08 -0.00 1.43 1.04 -1.26 -1.51 113.70 118.33 1uez s SER 66 Ca 0.61 -0.01 -0.15 0.00 0.48 0.00 0.00 55.95 56.89 1uez s SER 66 Cb -0.32 -2.14 -0.08 0.00 0.10 0.00 0.00 66.02 63.58 1uez s SER 66 CO 0.40 -0.11 0.81 -0.07 0.98 0.00 0.00 173.24 175.25 1uez h LEU 67 N 8.44 -0.45 0.00 2.42 3.38 -1.79 -3.45 115.31 123.87 1uez h LEU 67 Ca -0.34 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1uez h LEU 67 Cb 1.18 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1uez h LEU 67 CO 0.58 -0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.92 1uez n ALA 68 N -2.47 0.00 -3.34 1.53 0.00 -1.25 -3.79 120.51 111.21 1uez n ALA 68 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.22 1uez n ALA 68 Cb 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.59 1uez n ALA 68 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1uez s ARG 69 N 0.00 0.68 0.08 0.00 0.52 -1.26 -4.11 118.95 114.86 1uez s ARG 69 Ca 0.00 -0.89 0.03 0.00 -0.52 0.00 0.00 55.73 54.35 1uez s ARG 69 Cb 0.00 -0.68 -0.03 0.00 0.52 0.00 0.00 34.95 34.76 1uez s ARG 69 CO 0.00 -1.21 -0.09 0.14 0.02 0.00 0.00 175.30 174.16 1uez s VAL 70 N 1.37 0.80 0.65 3.52 -7.23 -1.25 -4.72 120.40 113.55 1uez s VAL 70 Ca 0.18 -1.50 -0.17 0.00 -1.81 0.00 0.00 61.98 58.68 1uez s VAL 70 Cb -0.14 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 1uez s VAL 70 CO -0.03 -0.53 0.83 0.35 -0.31 0.00 0.00 175.10 175.41 1uez n THR 71 N 0.79 2.99 0.11 5.32 -2.24 -1.26 -0.30 114.28 119.68 1uez n THR 71 Ca -0.18 -0.45 0.20 0.00 -2.27 0.00 0.00 64.05 61.35 1uez n THR 71 Cb 0.57 -1.00 0.76 0.00 -2.10 0.00 0.00 70.33 68.56 1uez n THR 71 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1uez h HIS 72 N 0.08 0.00 0.00 4.78 2.76 -1.88 0.99 115.15 121.88 1uez h HIS 72 Ca -0.47 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.52 1uez h HIS 72 Cb 1.36 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.30 1uez h HIS 72 CO 0.36 0.00 -0.83 0.00 -1.30 0.00 0.00 177.93 176.16 1uez h ALA 73 N 1.55 0.61 0.33 5.26 0.00 -1.97 -2.31 119.26 122.73 1uez h ALA 73 Ca 0.18 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1uez h ALA 73 Cb 0.98 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1uez h ALA 73 CO -0.00 0.96 -0.16 0.93 0.00 0.00 0.00 179.25 180.98 1uez h GLU 74 N 0.05 -0.43 -0.24 0.00 4.39 0.68 0.55 114.58 119.58 1uez h GLU 74 Ca -0.02 0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.76 1uez h GLU 74 Cb 1.45 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 30.14 1uez h GLU 74 CO 0.12 -0.11 -0.14 0.00 -1.16 0.00 0.00 179.01 177.72 1uez h ALA 75 N -0.60 0.05 -0.02 3.43 0.00 -1.37 -0.00 119.26 120.75 1uez h ALA 75 Ca -0.05 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1uez h ALA 75 Cb 0.52 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1uez h ALA 75 CO 0.07 -0.55 -0.14 0.28 0.00 0.00 0.00 179.25 178.91 1uez h VAL 76 N -0.12 0.64 -0.04 0.00 2.07 -1.48 0.48 116.25 117.80 1uez h VAL 76 Ca 0.13 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.67 1uez h VAL 76 Cb 0.32 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1uez h VAL 76 CO -0.32 0.00 0.33 0.11 0.02 0.00 0.00 177.57 177.71 1uez h LYS 77 N -0.23 0.00 0.06 1.57 1.79 -0.01 0.67 116.57 120.42 1uez h LYS 77 Ca 0.06 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.20 1uez h LYS 77 Cb 0.30 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.92 1uez h LYS 77 CO -0.16 0.00 -1.84 0.00 -1.08 0.00 0.00 179.45 176.38 1uez n ALA 78 N -1.95 1.20 -1.53 3.86 0.00 0.91 -4.93 120.51 118.08 1uez n ALA 78 Ca -0.01 -0.67 -0.04 0.00 0.00 0.00 0.00 53.44 52.72 1uez n ALA 78 Cb 0.39 -0.78 0.03 0.00 0.00 0.00 0.00 19.45 19.09 1uez n ALA 78 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1uez n LEU 79 N -3.26 0.00 -0.13 0.00 4.77 0.23 -4.89 117.00 113.72 1uez n LEU 79 Ca -0.24 -0.31 0.02 0.00 -0.03 0.00 0.00 56.01 55.45 1uez n LEU 79 Cb 1.05 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1uez n LEU 79 CO 0.44 -0.65 -0.03 0.29 -1.33 0.00 0.00 177.39 176.12 1uez n LYS 80 N -1.47 -0.27 -1.48 3.23 5.02 -1.26 -4.86 118.16 117.07 1uez n LYS 80 Ca 0.03 0.18 -0.51 0.00 -2.02 0.00 0.00 58.31 55.99 1uez n LYS 80 Cb 0.11 -0.33 -0.05 0.00 -0.02 0.00 0.00 35.03 34.74 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 -1.47 -0.84 0.00 0.72 0.00 -1.26 -4.83 105.19 97.50 1uez n GLY 81 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1uez n GLY 81 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uez n SER 82 N 1.81 0.00 -1.36 1.61 2.88 -1.26 -5.09 113.62 112.20 1uez n SER 82 Ca 0.17 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.89 1uez n SER 82 Cb 0.21 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.62 1uez n SER 82 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1uez n LYS 83 N 0.00 -2.77 -1.50 -1.46 5.02 -1.26 -4.36 118.16 111.83 1uez n LYS 83 Ca 0.00 1.89 -0.37 0.00 -2.02 0.00 0.00 58.31 57.82 1uez n LYS 83 Cb 0.00 -3.37 -0.16 0.00 -0.02 0.00 0.00 35.03 31.47 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 -4.03 0.02 -3.30 1.97 3.00 -1.26 -4.84 118.16 109.72 1uez n LYS 84 Ca -0.00 -0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.95 1uez n LYS 84 Cb 0.66 -1.43 -0.06 0.00 0.00 0.00 0.00 35.03 34.20 1uez n LYS 84 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1uez s LEU 85 N 7.14 4.31 -0.29 3.14 2.96 -1.26 -4.96 118.68 129.72 1uez s LEU 85 Ca 1.34 1.14 0.03 0.00 -0.22 0.00 0.00 54.13 56.42 1uez s LEU 85 Cb -1.15 -3.41 0.07 0.00 0.50 0.00 0.00 46.19 42.21 1uez s LEU 85 CO 0.50 0.06 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.84 1uez s VAL 86 N -1.53 2.22 -0.26 1.68 1.01 -1.26 -3.83 120.40 118.42 1uez s VAL 86 Ca 0.40 -1.86 -0.24 0.00 0.00 0.00 0.00 61.98 60.28 1uez s VAL 86 Cb -0.15 -2.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 1uez s VAL 86 CO 0.20 -0.21 0.81 -0.76 0.00 0.00 0.00 175.10 175.13 1uez s LEU 87 N 1.04 4.08 -0.40 3.92 2.01 0.62 -0.24 118.68 129.71 1uez s LEU 87 Ca -0.03 0.92 -0.16 0.00 0.01 0.00 0.00 54.13 54.87 1uez s LEU 87 Cb -0.20 -3.14 0.01 0.00 0.01 0.00 0.00 46.19 42.88 1uez s LEU 87 CO -0.06 -0.54 0.36 -0.44 1.01 0.00 0.00 176.35 176.68 1uez s SER 88 N 1.43 6.15 0.01 2.29 0.01 0.99 0.11 113.70 124.69 1uez s SER 88 Ca 0.34 -0.70 0.07 0.00 1.31 0.00 0.00 55.95 56.97 1uez s SER 88 Cb -0.15 -2.19 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 1uez s SER 88 CO 0.09 -0.48 -0.21 0.68 0.41 0.00 0.00 173.24 173.74 1uez s VAL 89 N 1.91 1.64 -0.00 3.43 -7.23 -1.12 0.90 120.40 119.93 1uez s VAL 89 Ca 0.09 -1.03 -0.04 0.00 -1.81 0.00 0.00 61.98 59.19 1uez s VAL 89 Cb -0.18 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 1uez s VAL 89 CO 0.12 0.34 0.21 -0.47 -0.31 0.00 0.00 175.10 174.98 1uez s TYR 90 N -0.63 3.55 0.05 2.82 5.04 -1.15 -0.43 117.35 126.60 1uez s TYR 90 Ca 0.08 0.41 0.05 0.00 -2.44 0.00 0.00 57.07 55.17 1uez s TYR 90 Cb -0.08 -1.87 -0.02 0.00 0.35 0.00 0.00 41.96 40.33 1uez s TYR 90 CO 0.00 0.63 -0.15 -1.54 -1.34 0.00 0.00 175.55 173.16 1uez s SER 91 N -1.90 1.78 -0.36 4.32 1.04 -1.18 -4.36 113.70 113.04 1uez s SER 91 Ca 0.28 -0.51 -0.00 0.00 0.48 0.00 0.00 55.95 56.19 1uez s SER 91 Cb -0.13 -0.10 0.13 0.00 0.10 0.00 0.00 66.02 66.02 1uez s SER 91 CO 0.18 0.02 0.19 0.00 0.98 0.00 0.00 173.24 174.61 1uez s ALA 92 N -0.96 1.24 0.00 5.32 0.00 -1.26 -2.42 121.76 123.68 1uez s ALA 92 Ca 0.02 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.09 1uez s ALA 92 Cb -0.09 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.40 1uez s ALA 92 CO 0.02 -1.97 0.00 0.41 0.00 0.00 0.00 175.76 174.21 1uez n GLY 93 N 4.22 4.20 3.26 0.00 0.00 -1.26 -4.97 105.19 110.63 1uez n GLY 93 Ca 0.07 -1.50 -0.20 0.00 0.00 0.00 0.00 46.02 44.38 1uez n GLY 93 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1uez s ARG 94 N -3.52 1.06 0.40 1.61 1.70 -1.26 -4.94 118.95 114.00 1uez s ARG 94 Ca 0.00 -1.20 0.08 0.00 -0.47 0.00 0.00 55.73 54.14 1uez s ARG 94 Cb 0.00 -1.11 -0.02 0.00 -0.57 0.00 0.00 34.95 33.25 1uez s ARG 94 CO 0.00 0.24 0.34 0.96 -1.08 0.00 0.00 175.30 175.76 1uez s ILE 95 N -1.69 2.76 0.04 4.99 -4.36 -1.26 -5.10 121.20 116.59 1uez s ILE 95 Ca 0.07 -1.39 -0.26 0.00 -0.26 0.00 0.00 60.65 58.82 1uez s ILE 95 Cb -0.07 -3.02 -0.05 0.00 1.25 0.00 0.00 42.46 40.56 1uez s ILE 95 CO 0.04 -0.03 0.82 -0.94 0.24 0.00 0.00 174.94 175.07 1uez s SER 96 N -4.08 7.25 0.00 4.36 1.04 -1.26 -4.85 113.70 116.16 1uez s SER 96 Ca 0.46 1.50 0.00 0.00 0.48 0.00 0.00 55.95 58.39 1uez s SER 96 Cb -0.03 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.60 1uez s SER 96 CO 0.27 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.05 1uez n GLY 97 N 2.53 0.36 3.66 7.32 0.00 -1.26 -5.04 105.19 112.76 1uez n GLY 97 Ca -0.00 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.09 4.23 0.00 1.61 0.04 -1.26 -4.65 135.00 133.87 1uez s PRO 98 Ca 0.00 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1uez s PRO 98 Cb 0.00 -3.77 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1uez s PRO 98 CO 0.00 -0.72 0.00 0.45 0.04 0.00 0.00 177.00 176.77 1uez n SER 99 N 6.64 0.00 -0.03 6.66 2.88 -1.26 -5.01 113.62 123.50 1uez n SER 99 Ca 0.14 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.60 1uez n SER 99 Cb 0.45 0.31 -0.03 0.00 -0.75 0.00 0.00 64.21 64.19 1uez n SER 99 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uez n SER 100 N -2.32 1.11 0.00 -3.46 7.64 -1.26 -5.20 113.62 110.13 1uez n SER 100 Ca 0.00 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1uez n SER 100 Cb 0.00 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 1uez n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64