#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uez n SER 2 N 0.00 2.47 -3.51 1.61 7.64 -1.26 -4.97 113.62 115.60 1uez n SER 2 Ca 0.00 1.12 -0.16 0.00 1.01 0.00 0.00 58.87 60.84 1uez n SER 2 Cb 0.00 -1.36 -0.05 0.00 -1.01 0.00 0.00 64.21 61.79 1uez n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1uez s SER 3 N 0.44 -0.61 -0.01 6.43 1.04 -1.26 -5.18 113.70 114.56 1uez s SER 3 Ca 0.74 0.51 -0.09 0.00 0.48 0.00 0.00 55.95 57.59 1uez s SER 3 Cb -0.73 0.54 0.01 0.00 0.10 0.00 0.00 66.02 65.94 1uez s SER 3 CO 0.46 -0.68 0.18 -0.83 0.98 0.00 0.00 173.24 173.35 1uez s GLY 4 N -1.57 -0.02 -0.30 7.32 0.00 -1.26 -5.13 107.32 106.36 1uez s GLY 4 Ca -0.08 0.07 0.03 0.00 0.00 0.00 0.00 44.72 44.74 1uez s GLY 4 CO 0.04 -0.07 0.67 -0.45 0.00 0.00 0.00 173.10 173.29 1uez s SER 5 N -1.11 -1.42 0.11 1.64 0.15 -1.26 -5.09 113.70 106.71 1uez s SER 5 Ca -0.12 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1uez s SER 5 Cb -0.06 1.89 0.00 0.00 -1.71 0.00 0.00 66.02 66.14 1uez s SER 5 CO 0.02 -0.25 0.00 -1.20 1.20 0.00 0.00 173.24 173.00 1uez n SER 6 N 5.29 -6.94 -0.43 5.45 7.64 -1.26 -5.02 113.62 118.35 1uez n SER 6 Ca 0.06 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1uez n SER 6 Cb 0.55 -3.85 0.00 0.00 -1.01 0.00 0.00 64.21 59.90 1uez n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uez n GLY 7 N 1.31 -1.78 3.20 0.23 0.00 -1.26 -5.06 105.19 101.82 1uez n GLY 7 Ca 0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 1uez n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1uez s GLU 8 N -2.56 0.33 -0.15 1.61 2.56 -1.22 -5.05 118.70 114.22 1uez s GLU 8 Ca 0.00 0.71 -0.24 0.00 0.00 0.00 0.00 54.97 55.44 1uez s GLU 8 Cb 0.00 -0.06 -0.02 0.00 2.00 0.00 0.00 34.13 36.05 1uez s GLU 8 CO 0.00 -0.16 0.74 0.08 -0.56 0.00 0.00 175.26 175.36 1uez s VAL 9 N 1.37 4.96 0.42 3.70 1.01 -1.26 -2.28 120.40 128.31 1uez s VAL 9 Ca -0.09 1.46 0.05 0.00 0.00 0.00 0.00 61.98 63.39 1uez s VAL 9 Cb -0.09 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.23 1uez s VAL 9 CO -0.11 0.10 0.60 0.00 0.00 0.00 0.00 175.10 175.69 1uez s ARG 10 N 1.77 2.91 -0.26 2.72 1.70 0.11 -4.97 118.95 122.93 1uez s ARG 10 Ca 0.35 -0.92 0.01 0.00 -0.47 0.00 0.00 55.73 54.71 1uez s ARG 10 Cb -0.17 -2.68 0.07 0.00 -0.57 0.00 0.00 34.95 31.60 1uez s ARG 10 CO 0.13 -0.25 -0.02 -0.51 -1.08 0.00 0.00 175.30 173.58 1uez s LEU 11 N -4.42 2.91 -0.00 -1.89 1.43 -1.26 -2.58 118.68 112.87 1uez s LEU 11 Ca 0.51 -1.41 -0.08 0.00 -1.03 0.00 0.00 54.13 52.11 1uez s LEU 11 Cb -0.10 -1.22 -0.05 0.00 0.03 0.00 0.00 46.19 44.86 1uez s LEU 11 CO 0.34 -0.28 0.29 -0.69 0.23 0.00 0.00 176.35 176.24 1uez s VAL 12 N 1.34 5.27 -0.11 -1.59 1.01 0.66 -4.90 120.40 122.07 1uez s VAL 12 Ca -0.01 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.28 1uez s VAL 12 Cb -0.19 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1uez s VAL 12 CO -0.09 0.42 -0.11 -0.55 0.00 0.00 0.00 175.10 174.77 1uez s SER 13 N -1.53 2.19 -0.19 3.32 0.15 -1.26 0.19 113.70 116.57 1uez s SER 13 Ca 0.26 -0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.57 1uez s SER 13 Cb -0.14 -0.92 0.04 0.00 -1.71 0.00 0.00 66.02 63.29 1uez s SER 13 CO 0.14 -0.05 -0.11 -0.76 1.20 0.00 0.00 173.24 173.66 1uez s LEU 14 N 1.31 2.24 -0.18 3.45 2.01 -1.21 -4.77 118.68 121.51 1uez s LEU 14 Ca -0.02 -0.85 0.00 0.00 0.01 0.00 0.00 54.13 53.28 1uez s LEU 14 Cb -0.14 -1.24 0.01 0.00 0.01 0.00 0.00 46.19 44.84 1uez s LEU 14 CO -0.05 -0.13 -0.17 -0.60 1.01 0.00 0.00 176.35 176.41 1uez s ARG 15 N 1.40 3.08 0.00 1.70 3.52 -1.26 -4.57 118.95 122.82 1uez s ARG 15 Ca -0.01 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.81 1uez s ARG 15 Cb -0.16 -2.65 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 1uez s ARG 15 CO -0.09 -0.18 0.00 0.54 -0.81 0.00 0.00 175.30 174.76 1uez n ARG 16 N 4.59 0.00 -3.29 5.12 1.74 -1.26 -5.11 116.66 118.45 1uez n ARG 16 Ca -0.20 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 56.90 1uez n ARG 16 Cb 0.50 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.90 1uez n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1uez s ALA 17 N 0.00 -3.00 0.00 7.54 0.00 -1.26 -4.87 121.76 120.17 1uez s ALA 17 Ca 0.00 1.91 0.00 0.00 0.00 0.00 0.00 51.96 53.87 1uez s ALA 17 Cb 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.94 1uez s ALA 17 CO 0.00 -0.97 0.00 0.36 0.00 0.00 0.00 175.76 175.15 1uez n LYS 18 N 4.79 0.00 -2.97 0.00 2.85 -1.26 -4.99 118.16 116.57 1uez n LYS 18 Ca -0.08 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.00 1uez n LYS 18 Cb 0.54 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.91 1uez n LYS 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1uez n ALA 19 N 0.00 2.98 0.00 0.58 0.00 -1.26 -5.07 120.51 117.74 1uez n ALA 19 Ca 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 53.44 49.84 1uez n ALA 19 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 0.06 0.00 -3.79 0.00 1.44 -1.26 -5.11 115.22 106.57 1uez n HIS 20 Ca 0.23 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.65 1uez n HIS 20 Cb 0.66 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.64 1uez n HIS 20 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 1uez s GLU 21 N -2.00 1.66 0.00 -1.40 -6.30 -1.26 -4.85 118.70 104.55 1uez s GLU 21 Ca 0.00 -2.43 0.00 0.00 -2.50 0.00 0.00 54.97 50.04 1uez s GLU 21 Cb 0.00 -2.73 0.00 0.00 0.00 0.00 0.00 34.13 31.40 1uez s GLU 21 CO 0.00 -1.19 0.00 0.41 0.02 0.00 0.00 175.26 174.50 1uez n GLY 22 N 3.07 2.96 1.72 -1.50 0.00 -1.26 -4.97 105.19 105.22 1uez n GLY 22 Ca 0.11 -0.88 0.06 0.00 0.00 0.00 0.00 46.02 45.32 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 5.45 0.00 0.99 4.77 -1.26 -4.88 117.00 122.08 1uez n LEU 23 Ca 0.00 -2.98 0.00 0.00 -0.03 0.00 0.00 56.01 53.00 1uez n LEU 23 Cb 0.00 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1uez n LEU 23 CO 0.00 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1uez n GLY 24 N 0.35 2.85 3.00 -0.72 0.00 -1.26 -4.41 105.19 105.00 1uez n GLY 24 Ca 0.28 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.19 1.33 0.28 1.61 -0.71 -1.26 -2.18 117.98 114.87 1uez s PHE 25 Ca 0.00 -0.47 -0.10 0.00 -1.04 0.00 0.00 56.93 55.32 1uez s PHE 25 Cb 0.00 -0.99 -0.07 0.00 -1.21 0.00 0.00 43.02 40.75 1uez s PHE 25 CO 0.00 -0.26 0.61 -1.12 -1.34 0.00 0.00 175.22 173.12 1uez s SER 26 N 0.68 6.59 0.27 1.98 0.01 0.31 -4.91 113.70 118.63 1uez s SER 26 Ca -0.14 0.97 0.11 0.00 1.31 0.00 0.00 55.95 58.20 1uez s SER 26 Cb -0.15 -2.25 -0.05 0.00 0.21 0.00 0.00 66.02 63.78 1uez s SER 26 CO 0.03 -0.17 -0.13 0.27 0.41 0.00 0.00 173.24 173.65 1uez s ILE 27 N -1.99 2.85 0.23 1.44 -4.36 -1.26 0.19 121.20 118.30 1uez s ILE 27 Ca 0.48 -2.19 -0.01 0.00 -0.26 0.00 0.00 60.65 58.67 1uez s ILE 27 Cb -0.11 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 41.07 1uez s ILE 27 CO 0.24 -0.37 0.21 0.00 0.24 0.00 0.00 174.94 175.26 1uez s ARG 28 N -3.52 1.36 0.33 0.37 1.70 0.31 -4.57 118.95 114.92 1uez s ARG 28 Ca 0.30 -1.64 0.00 0.00 -0.47 0.00 0.00 55.73 53.92 1uez s ARG 28 Cb -0.06 0.31 0.00 0.00 -0.57 0.00 0.00 34.95 34.64 1uez s ARG 28 CO 0.17 -0.48 0.00 0.41 -1.08 0.00 0.00 175.30 174.32 1uez n GLY 29 N -0.35 -0.84 0.00 3.88 0.00 -1.26 -1.54 105.19 105.08 1uez n GLY 29 Ca 0.02 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 2.59 2.07 -0.02 0.00 0.20 -4.18 105.19 105.85 1uez n GLY 30 Ca 0.00 -1.91 -0.19 0.00 0.00 0.00 0.00 46.02 43.92 1uez n GLY 30 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uez n SER 31 N 0.00 6.36 -0.01 1.61 2.88 0.00 -2.46 113.62 121.99 1uez n SER 31 Ca 0.00 -3.05 -0.02 0.00 -1.33 0.00 0.00 58.87 54.47 1uez n SER 31 Cb 0.00 -1.14 -0.02 0.00 -0.75 0.00 0.00 64.21 62.31 1uez n SER 31 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1uez n GLU 32 N 0.68 0.91 0.00 -1.46 0.28 -1.26 -4.60 120.64 115.18 1uez n GLU 32 Ca 0.35 0.01 0.10 0.00 -0.16 0.00 0.00 57.16 57.47 1uez n GLU 32 Cb 0.59 -1.06 -0.10 0.00 1.43 0.00 0.00 31.44 32.29 1uez n GLU 32 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1uez n HIS 33 N -2.47 0.03 -0.32 -1.84 8.25 -1.25 -4.97 115.22 112.64 1uez n HIS 33 Ca -0.05 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1uez n HIS 33 Cb 0.56 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.51 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 1.43 0.83 2.74 -1.41 0.00 -1.25 -5.12 105.19 102.42 1uez n GLY 34 Ca 0.02 -0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.28 0.00 0.00 1.61 0.24 -1.03 -5.06 118.33 113.81 1uez n VAL 35 Ca 0.00 -2.08 0.00 0.00 -2.04 0.00 0.00 64.34 60.22 1uez n VAL 35 Cb 0.07 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 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 -0.54 0.54 3.12 7.63 0.00 -1.26 -3.78 105.19 110.90 1uez n GLY 36 Ca 0.07 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 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 3.98 1.04 -0.00 -0.61 -1.09 -1.26 0.59 121.20 123.85 1uez s ILE 37 Ca 0.00 -0.86 -0.25 0.00 -2.23 0.00 0.00 60.65 57.31 1uez s ILE 37 Cb 0.00 -0.93 0.06 0.00 -1.58 0.00 0.00 42.46 40.01 1uez s ILE 37 CO 0.00 0.07 0.57 -0.31 -1.23 0.00 0.00 174.94 174.04 1uez s TYR 38 N -0.70 -0.50 0.34 3.97 2.02 -0.59 -2.20 117.35 119.69 1uez s TYR 38 Ca 0.02 0.74 -0.29 0.00 -0.37 0.00 0.00 57.07 57.17 1uez s TYR 38 Cb -0.07 0.35 -0.11 0.00 -0.40 0.00 0.00 41.96 41.73 1uez s TYR 38 CO 0.01 -0.60 1.54 0.08 -1.57 0.00 0.00 175.55 175.01 1uez s VAL 39 N -1.77 2.03 -0.15 0.71 1.01 -1.24 0.11 120.40 121.10 1uez s VAL 39 Ca -0.09 0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1uez s VAL 39 Cb -0.01 -3.02 -0.10 0.00 0.00 0.00 0.00 36.38 33.25 1uez s VAL 39 CO 0.04 0.01 -0.13 -1.54 0.00 0.00 0.00 175.10 173.48 1uez n SER 40 N 1.23 2.77 -3.76 3.32 3.41 0.49 -3.64 113.62 117.44 1uez n SER 40 Ca 0.04 -0.08 -0.13 0.00 -0.26 0.00 0.00 58.87 58.44 1uez n SER 40 Cb 0.38 -0.18 -0.10 0.00 -0.26 0.00 0.00 64.21 64.04 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 -5.84 0.71 -0.07 1.04 0.20 -1.09 -4.84 118.68 108.80 1uez s LEU 41 Ca -0.20 0.62 -0.02 0.00 0.69 0.00 0.00 54.13 55.23 1uez s LEU 41 Cb 0.05 1.19 0.03 0.00 -0.43 0.00 0.00 46.19 47.03 1uez s LEU 41 CO 0.36 -0.16 0.02 -0.69 -0.29 0.00 0.00 176.35 175.59 1uez s VAL 42 N 0.00 0.25 0.22 1.68 1.01 -1.26 0.12 120.40 122.41 1uez s VAL 42 Ca -0.02 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 1uez s VAL 42 Cb -0.03 -0.44 -0.09 0.00 0.00 0.00 0.00 36.38 35.82 1uez s VAL 42 CO 0.01 0.23 1.32 -1.61 0.00 0.00 0.00 175.10 175.05 1uez s GLU 43 N 2.02 4.38 0.47 2.72 2.02 -0.93 -4.91 118.70 124.47 1uez s GLU 43 Ca 0.05 2.09 0.26 0.00 0.02 0.00 0.00 54.97 57.40 1uez s GLU 43 Cb -0.12 -3.17 0.78 0.00 0.10 0.00 0.00 34.13 31.72 1uez s GLU 43 CO -0.05 -0.26 1.77 -1.00 0.02 0.00 0.00 175.26 175.74 1uez h PRO 44 N 5.12 0.00 -0.49 0.39 0.13 -1.99 -3.04 132.00 132.12 1uez h PRO 44 Ca -0.45 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.42 1uez h PRO 44 Cb 1.22 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.19 1uez h PRO 44 CO 0.76 0.09 0.06 0.41 -0.23 0.00 0.00 178.00 179.09 1uez n GLY 45 N 0.57 4.85 3.83 1.56 0.00 -1.26 -4.88 105.19 109.87 1uez n GLY 45 Ca 0.02 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.13 3.00 0.00 1.61 3.41 -1.15 -5.06 113.62 114.30 1uez n SER 46 Ca 0.39 -3.04 -0.18 0.00 -0.26 0.00 0.00 58.87 55.78 1uez n SER 46 Cb 1.17 0.09 -0.14 0.00 -0.26 0.00 0.00 64.21 65.06 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 0.29 -0.68 1.04 5.85 -1.87 -3.16 115.31 116.78 1uez h LEU 47 Ca -0.38 -0.96 0.12 0.00 0.84 0.00 0.00 57.88 57.50 1uez h LEU 47 Cb 1.30 -0.09 -0.13 0.00 0.37 0.00 0.00 40.66 42.11 1uez h LEU 47 CO 0.61 1.26 -0.29 0.00 -0.34 0.00 0.00 178.44 179.68 1uez h ALA 48 N 0.04 0.15 -0.40 1.25 0.00 -1.86 1.38 119.26 119.80 1uez h ALA 48 Ca -0.10 0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1uez h ALA 48 Cb 1.41 0.74 -0.02 0.00 0.00 0.00 0.00 17.79 19.92 1uez h ALA 48 CO 0.09 -0.59 0.27 1.49 0.00 0.00 0.00 179.25 180.51 1uez h GLU 49 N -0.10 0.35 0.00 0.00 4.22 -1.70 0.20 114.58 117.56 1uez h GLU 49 Ca 0.28 -0.02 -0.11 0.00 0.08 0.00 0.00 59.36 59.59 1uez h GLU 49 Cb 0.55 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1uez h GLU 49 CO -0.74 0.23 -0.55 0.87 -2.18 0.00 0.00 179.01 176.65 1uez h LYS 50 N 0.36 0.00 0.00 1.92 1.57 0.15 -2.66 116.57 117.91 1uez h LYS 50 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1uez h LYS 50 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1uez h LYS 50 CO -0.04 0.55 0.00 0.93 -0.57 0.00 0.00 179.45 180.32 1uez h GLU 51 N 0.00 0.00 0.00 3.15 4.39 0.33 -3.47 114.58 118.98 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 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1uez h GLU 51 CO 0.07 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.33 1uez n GLY 52 N 0.83 1.41 3.05 -3.84 0.00 -0.52 -4.93 105.19 101.19 1uez n GLY 52 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.49 0.00 0.99 7.94 -0.65 -4.90 117.00 114.90 1uez n LEU 53 Ca 0.00 0.23 0.00 0.00 -1.11 0.00 0.00 56.01 55.13 1uez n LEU 53 Cb 0.00 -0.80 0.00 0.00 0.53 0.00 0.00 43.42 43.15 1uez n LEU 53 CO 0.00 -5.80 0.00 -1.14 -1.11 0.00 0.00 177.39 169.34 1uez n ARG 54 N 2.16 0.00 -1.72 1.96 0.00 -1.26 -4.38 116.66 113.42 1uez n ARG 54 Ca -0.01 0.00 -0.64 0.00 -0.00 0.00 0.00 57.85 57.20 1uez n ARG 54 Cb 0.55 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.92 1uez n ARG 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1uez n VAL 55 N -0.30 0.11 0.00 5.15 0.31 -1.26 -1.98 118.33 120.36 1uez n VAL 55 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1uez n VAL 55 Cb 0.00 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 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 4.22 3.23 2.21 2.92 0.00 -1.24 -5.00 105.19 111.53 1uez n GLY 56 Ca 0.30 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.79 -3.59 1.61 8.00 -0.84 -4.78 116.55 114.16 1uez n ASP 57 Ca 0.00 -0.40 -0.22 0.00 0.71 0.00 0.00 54.79 54.88 1uez n ASP 57 Cb 0.00 -0.59 -0.16 0.00 -0.02 0.00 0.00 41.12 40.35 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 -3.33 0.08 -0.93 -1.24 0.74 -1.26 -3.61 119.66 110.10 1uez s GLN 58 Ca 0.30 0.12 -0.24 0.00 0.05 0.00 0.00 55.36 55.59 1uez s GLN 58 Cb -0.05 -1.34 -0.04 0.00 1.10 0.00 0.00 33.01 32.68 1uez s GLN 58 CO 0.25 -0.59 1.90 0.42 -0.55 0.00 0.00 175.29 176.73 1uez s ILE 59 N 2.21 3.50 0.07 -2.34 -1.09 -0.93 -2.74 121.20 119.88 1uez s ILE 59 Ca 0.04 -0.44 -0.17 0.00 -2.23 0.00 0.00 60.65 57.85 1uez s ILE 59 Cb -0.15 -4.13 -0.11 0.00 -1.58 0.00 0.00 42.46 36.49 1uez s ILE 59 CO -0.09 -1.04 1.37 -0.07 -1.23 0.00 0.00 174.94 173.89 1uez h LEU 60 N 17.41 0.62 -8.58 2.97 3.38 -1.16 -3.41 115.31 126.54 1uez h LEU 60 Ca 0.11 -0.49 -0.24 0.00 0.09 0.00 0.00 57.88 57.35 1uez h LEU 60 Cb 1.00 -0.17 -0.15 0.00 0.09 0.00 0.00 40.66 41.43 1uez h LEU 60 CO 1.23 0.99 -0.63 -0.13 0.09 0.00 0.00 178.44 179.98 1uez s ARG 61 N -4.26 1.12 -0.14 1.13 0.52 -1.12 -2.97 118.95 113.22 1uez s ARG 61 Ca -0.13 -1.57 -0.04 0.00 -0.52 0.00 0.00 55.73 53.47 1uez s ARG 61 Cb 0.07 0.12 0.07 0.00 0.52 0.00 0.00 34.95 35.73 1uez s ARG 61 CO 0.80 -0.30 0.17 0.54 0.02 0.00 0.00 175.30 176.54 1uez s VAL 62 N -4.01 -0.26 0.00 3.52 0.11 -0.06 -1.46 120.40 118.25 1uez s VAL 62 Ca 0.32 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.49 1uez s VAL 62 Cb 0.07 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.45 1uez s VAL 62 CO 0.08 -0.04 0.00 -3.20 -3.33 0.00 0.00 175.10 168.61 1uez n ASN 63 N 5.32 0.00 0.00 3.54 2.85 -0.26 -2.82 115.26 123.88 1uez n ASN 63 Ca -0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1uez n ASN 63 Cb 0.50 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.52 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 3.00 0.00 -4.78 1.20 -0.08 -1.26 -4.56 116.55 110.06 1uez n ASP 64 Ca 0.00 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.93 1uez n ASP 64 Cb 0.00 0.15 -0.01 0.00 2.34 0.00 0.00 41.12 43.60 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 -1.47 3.51 0.08 -0.67 1.02 -1.13 -5.00 119.74 116.09 1uez s LYS 65 Ca 0.00 1.50 -0.09 0.00 0.02 0.00 0.00 55.97 57.39 1uez s LYS 65 Cb 0.00 -2.04 -0.06 0.00 -0.52 0.00 0.00 37.83 35.21 1uez s LYS 65 CO 0.00 -0.69 0.39 -1.54 -0.92 0.00 0.00 175.35 172.59 1uez s SER 66 N -1.90 6.62 -0.40 2.83 1.04 -1.26 -0.88 113.70 119.75 1uez s SER 66 Ca 0.70 0.76 -0.02 0.00 0.48 0.00 0.00 55.95 57.88 1uez s SER 66 Cb -0.21 -2.17 0.19 0.00 0.10 0.00 0.00 66.02 63.93 1uez s SER 66 CO 0.25 0.17 2.27 0.18 0.98 0.00 0.00 173.24 177.09 1uez n LEU 67 N 0.88 6.60 -4.53 2.42 4.77 -1.16 -4.92 117.00 121.07 1uez n LEU 67 Ca -0.08 -3.66 -0.28 0.00 -0.03 0.00 0.00 56.01 51.96 1uez n LEU 67 Cb 0.52 -1.11 -0.12 0.00 -2.33 0.00 0.00 43.42 40.38 1uez n LEU 67 CO 0.42 1.42 1.89 0.00 -1.33 0.00 0.00 177.39 179.80 1uez n ALA 68 N 0.40 0.63 -3.07 -1.18 0.00 -1.26 -3.35 120.51 112.68 1uez n ALA 68 Ca 0.39 -0.86 -0.00 0.00 0.00 0.00 0.00 53.44 52.98 1uez n ALA 68 Cb 0.57 -2.80 0.00 0.00 0.00 0.00 0.00 19.45 17.22 1uez n ALA 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1uez n ARG 69 N 7.99 -0.24 -4.05 0.00 1.74 -1.26 -4.99 116.66 115.85 1uez n ARG 69 Ca 0.54 0.73 -0.13 0.00 -0.77 0.00 0.00 57.85 58.22 1uez n ARG 69 Cb 0.29 -0.93 -0.13 0.00 -1.02 0.00 0.00 32.46 30.67 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 -0.96 0.31 0.50 1.55 -7.23 -1.21 -4.72 120.40 108.64 1uez s VAL 70 Ca 0.00 -0.49 -0.21 0.00 -1.81 0.00 0.00 61.98 59.47 1uez s VAL 70 Cb -0.00 -0.33 -0.10 0.00 0.56 0.00 0.00 36.38 36.51 1uez s VAL 70 CO 0.00 -0.12 0.65 0.35 -0.31 0.00 0.00 175.10 175.67 1uez n THR 71 N 2.41 2.23 -0.24 5.32 -2.24 -1.26 -0.82 114.28 119.68 1uez n THR 71 Ca -0.17 -0.50 0.30 0.00 -2.27 0.00 0.00 64.05 61.41 1uez n THR 71 Cb 0.57 -0.76 0.70 0.00 -2.10 0.00 0.00 70.33 68.74 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 0.68 0.10 -0.16 4.78 2.76 -1.89 1.28 115.15 122.71 1uez h HIS 72 Ca -0.44 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 57.58 1uez h HIS 72 Cb 1.39 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 30.31 1uez h HIS 72 CO 0.35 0.02 -0.54 0.00 -1.30 0.00 0.00 177.93 176.46 1uez h ALA 73 N 1.52 0.77 0.42 5.26 0.00 -1.92 -2.20 119.26 123.11 1uez h ALA 73 Ca 0.49 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1uez h ALA 73 Cb 1.83 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1uez h ALA 73 CO -0.05 0.69 -0.20 0.93 0.00 0.00 0.00 179.25 180.62 1uez h GLU 74 N 0.36 -0.54 -0.27 0.00 4.39 0.13 0.14 114.58 118.79 1uez h GLU 74 Ca 0.01 0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.81 1uez h GLU 74 Cb 1.06 0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 29.75 1uez h GLU 74 CO 0.10 -0.23 -0.29 0.00 -1.16 0.00 0.00 179.01 177.43 1uez h ALA 75 N -0.48 -0.19 0.02 3.43 0.00 -1.24 0.23 119.26 121.02 1uez h ALA 75 Ca -0.06 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1uez h ALA 75 Cb 0.56 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1uez h ALA 75 CO 0.09 -0.71 -0.22 0.28 0.00 0.00 0.00 179.25 178.69 1uez h VAL 76 N -0.28 0.49 -0.11 0.00 2.07 -1.41 0.74 116.25 117.76 1uez h VAL 76 Ca 0.14 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.69 1uez h VAL 76 Cb 0.51 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1uez h VAL 76 CO -0.43 0.00 0.35 0.11 0.02 0.00 0.00 177.57 177.62 1uez h LYS 77 N -0.36 0.00 0.15 1.57 1.79 0.40 0.43 116.57 120.55 1uez h LYS 77 Ca 0.05 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.17 1uez h LYS 77 Cb 0.43 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1uez h LYS 77 CO -0.18 0.00 -1.86 0.00 -1.08 0.00 0.00 179.45 176.32 1uez h ALA 78 N 1.40 0.31 0.05 3.86 0.00 0.29 -3.39 119.26 121.78 1uez h ALA 78 Ca 0.05 -1.28 -0.00 0.00 0.00 0.00 0.00 54.91 53.68 1uez h ALA 78 Cb 0.75 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1uez h ALA 78 CO -0.00 1.17 -0.03 -0.07 0.00 0.00 0.00 179.25 180.32 1uez h LEU 79 N 0.05 -0.06 0.00 0.00 3.38 0.46 -3.46 115.31 115.68 1uez h LEU 79 Ca -0.39 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.66 1uez h LEU 79 Cb 2.03 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.78 1uez h LEU 79 CO 0.12 -0.04 -0.11 0.29 0.09 0.00 0.00 178.44 178.79 1uez n LYS 80 N -2.20 -0.59 -3.74 1.13 4.76 0.08 -4.37 118.16 113.24 1uez n LYS 80 Ca -0.01 0.39 -0.31 0.00 -2.87 0.00 0.00 58.31 55.50 1uez n LYS 80 Cb 0.03 -0.72 -0.09 0.00 -1.84 0.00 0.00 35.03 32.41 1uez n LYS 80 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1uez n GLY 81 N -0.98 4.16 3.99 0.72 0.00 -1.26 -4.92 105.19 106.89 1uez n GLY 81 Ca 0.00 -2.61 -0.25 0.00 0.00 0.00 0.00 46.02 43.16 1uez n GLY 81 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uez s SER 82 N -1.04 3.89 -0.09 1.61 0.15 -1.26 -4.92 113.70 112.04 1uez s SER 82 Ca 0.27 -0.33 -0.02 0.00 0.70 0.00 0.00 55.95 56.57 1uez s SER 82 Cb -0.04 0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.39 1uez s SER 82 CO -0.13 -2.19 -0.04 0.11 1.20 0.00 0.00 173.24 172.19 1uez h LYS 83 N -0.86 0.00 -3.00 5.44 1.57 -1.97 -3.40 116.57 114.34 1uez h LYS 83 Ca -0.37 0.00 -0.80 0.00 -1.87 0.00 0.00 60.65 57.61 1uez h LYS 83 Cb 1.25 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.28 1uez h LYS 83 CO 0.36 0.00 0.72 1.17 -0.57 0.00 0.00 179.45 181.13 1uez n LYS 84 N -4.38 4.32 -3.22 3.15 4.81 -1.26 -4.69 118.16 116.90 1uez n LYS 84 Ca -0.01 -4.55 -0.42 0.00 -0.87 0.00 0.00 58.31 52.46 1uez n LYS 84 Cb 0.06 -2.51 -0.08 0.00 0.02 0.00 0.00 35.03 32.52 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 -2.58 4.54 -0.49 3.14 2.96 -1.26 -4.94 118.68 120.04 1uez s LEU 85 Ca 0.31 -0.32 -0.14 0.00 -0.22 0.00 0.00 54.13 53.76 1uez s LEU 85 Cb 0.03 -2.58 0.10 0.00 0.50 0.00 0.00 46.19 44.25 1uez s LEU 85 CO 0.08 -0.61 0.42 -0.69 -1.32 0.00 0.00 176.35 174.22 1uez s VAL 86 N 2.47 4.95 -0.17 1.68 1.01 -1.26 -3.35 120.40 125.73 1uez s VAL 86 Ca 0.18 -1.40 -0.29 0.00 0.00 0.00 0.00 61.98 60.47 1uez s VAL 86 Cb -0.15 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 1uez s VAL 86 CO 0.15 -0.72 1.17 -0.76 0.00 0.00 0.00 175.10 174.94 1uez s LEU 87 N 1.56 4.17 -0.39 3.92 2.01 0.52 -1.10 118.68 129.36 1uez s LEU 87 Ca 0.04 1.60 -0.18 0.00 0.01 0.00 0.00 54.13 55.60 1uez s LEU 87 Cb -0.27 -3.54 0.01 0.00 0.01 0.00 0.00 46.19 42.40 1uez s LEU 87 CO 0.03 -0.68 0.49 -0.44 1.01 0.00 0.00 176.35 176.76 1uez s SER 88 N 1.60 6.26 0.14 2.29 0.01 -0.53 -0.25 113.70 123.22 1uez s SER 88 Ca 0.51 -0.36 0.05 0.00 1.31 0.00 0.00 55.95 57.46 1uez s SER 88 Cb -0.20 -2.25 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 1uez s SER 88 CO 0.13 -0.57 -0.12 0.68 0.41 0.00 0.00 173.24 173.77 1uez s VAL 89 N 2.34 1.30 -0.11 3.43 -7.23 -1.06 -0.62 120.40 118.44 1uez s VAL 89 Ca 0.16 -1.94 0.03 0.00 -1.81 0.00 0.00 61.98 58.42 1uez s VAL 89 Cb -0.16 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.05 1uez s VAL 89 CO 0.14 -0.60 -0.23 -0.47 -0.31 0.00 0.00 175.10 173.64 1uez s TYR 90 N -2.81 2.60 0.24 2.82 5.04 -1.11 0.05 117.35 124.19 1uez s TYR 90 Ca 0.14 -1.08 0.07 0.00 -2.44 0.00 0.00 57.07 53.77 1uez s TYR 90 Cb -0.01 -1.74 -0.04 0.00 0.35 0.00 0.00 41.96 40.52 1uez s TYR 90 CO 0.02 -0.44 0.16 0.45 -1.34 0.00 0.00 175.55 174.40 1uez s SER 91 N 0.44 5.39 0.26 4.32 0.15 -0.97 -3.98 113.70 119.32 1uez s SER 91 Ca -0.16 -0.29 0.12 0.00 0.70 0.00 0.00 55.95 56.32 1uez s SER 91 Cb -0.17 -1.33 -0.05 0.00 -1.71 0.00 0.00 66.02 62.76 1uez s SER 91 CO 0.06 -0.02 -0.21 0.00 1.20 0.00 0.00 173.24 174.28 1uez s ALA 92 N -2.11 2.69 -0.54 5.45 0.00 -1.26 -3.38 121.76 122.61 1uez s ALA 92 Ca 0.32 -1.82 -0.37 0.00 0.00 0.00 0.00 51.96 50.09 1uez s ALA 92 Cb -0.08 -0.27 -0.16 0.00 0.00 0.00 0.00 23.12 22.61 1uez s ALA 92 CO 0.24 0.31 2.29 0.41 0.00 0.00 0.00 175.76 179.01 1uez n GLY 93 N -0.42 0.05 3.65 0.00 0.00 -1.26 -4.83 105.19 102.38 1uez n GLY 93 Ca -0.07 1.02 0.00 0.00 0.00 0.00 0.00 46.02 46.98 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 6.84 0.07 -0.04 1.61 0.52 -1.26 -5.14 118.95 121.55 1uez s ARG 94 Ca 1.18 0.11 0.05 0.00 -0.52 0.00 0.00 55.73 56.54 1uez s ARG 94 Cb -1.12 0.02 -0.02 0.00 0.52 0.00 0.00 34.95 34.35 1uez s ARG 94 CO 0.53 -0.01 -0.18 -1.50 0.02 0.00 0.00 175.30 174.16 1uez s ILE 95 N 0.73 2.75 0.40 1.52 2.07 -1.26 -4.97 121.20 122.43 1uez s ILE 95 Ca -0.03 -0.85 0.00 0.00 -1.41 0.00 0.00 60.65 58.36 1uez s ILE 95 Cb -0.03 -2.04 0.00 0.00 0.13 0.00 0.00 42.46 40.52 1uez s ILE 95 CO -0.12 0.59 0.00 -0.24 -1.91 0.00 0.00 174.94 173.26 1uez n SER 96 N 2.34 -2.33 0.00 4.50 2.88 -1.26 -5.18 113.62 114.58 1uez n SER 96 Ca -0.17 0.73 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 1uez n SER 96 Cb 0.52 2.27 0.00 0.00 -0.75 0.00 0.00 64.21 66.25 1uez n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uez n GLY 97 N -0.01 -1.10 3.79 0.46 0.00 -1.26 -4.96 105.19 102.10 1uez n GLY 97 Ca 0.00 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.22 1.36 0.16 1.61 0.04 -1.26 -5.03 135.00 130.66 1uez s PRO 98 Ca 0.00 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1uez s PRO 98 Cb 0.00 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1uez s PRO 98 CO 0.00 -2.07 0.00 0.45 0.04 0.00 0.00 177.00 175.42 1uez n SER 99 N -3.69 0.46 -4.78 6.66 2.88 -1.26 -5.07 113.62 108.82 1uez n SER 99 Ca 0.07 0.25 -0.37 0.00 -1.33 0.00 0.00 58.87 57.49 1uez n SER 99 Cb 0.59 -0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.00 1uez n SER 99 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uez s SER 100 N -5.47 6.89 0.00 -3.46 0.15 -1.26 -5.28 113.70 105.27 1uez s SER 100 Ca 0.00 2.06 0.00 0.00 0.70 0.00 0.00 55.95 58.71 1uez s SER 100 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1uez s SER 100 CO 0.00 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.65