#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 -0.09 0.27 1.61 0.15 -1.26 -5.19 113.70 109.19 1uez s SER 2 Ca 0.00 0.05 -0.12 0.00 0.70 0.00 0.00 55.95 56.58 1uez s SER 2 Cb 0.00 0.09 -0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1uez s SER 2 CO 0.00 -0.12 0.50 -0.44 1.20 0.00 0.00 173.24 174.37 1uez s SER 3 N -1.63 0.03 0.21 5.45 0.01 -1.26 -5.18 113.70 111.33 1uez s SER 3 Ca 0.09 -1.00 0.08 0.00 1.31 0.00 0.00 55.95 56.42 1uez s SER 3 Cb -0.01 0.61 -0.05 0.00 0.21 0.00 0.00 66.02 66.78 1uez s SER 3 CO -0.05 -1.19 -0.14 -0.83 0.41 0.00 0.00 173.24 171.44 1uez s GLY 4 N -3.05 1.48 0.15 3.44 0.00 -1.26 -5.16 107.32 102.93 1uez s GLY 4 Ca 0.23 -1.69 -0.22 0.00 0.00 0.00 0.00 44.72 43.03 1uez s GLY 4 CO 0.10 -1.77 0.58 -0.56 0.00 0.00 0.00 173.10 171.45 1uez s SER 5 N -3.34 -0.54 0.43 1.64 0.01 -1.26 -5.18 113.70 105.47 1uez s SER 5 Ca 0.23 -0.02 0.07 0.00 1.31 0.00 0.00 55.95 57.55 1uez s SER 5 Cb -0.01 0.58 -0.02 0.00 0.21 0.00 0.00 66.02 66.79 1uez s SER 5 CO 0.08 -0.95 0.35 -0.44 0.41 0.00 0.00 173.24 172.69 1uez s SER 6 N -2.72 4.90 0.16 2.44 0.01 -1.26 -5.02 113.70 112.22 1uez s SER 6 Ca 0.01 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.42 1uez s SER 6 Cb -0.01 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.76 1uez s SER 6 CO -0.12 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.46 1uez n GLY 7 N -1.52 -4.00 2.73 3.44 0.00 -1.26 -5.03 105.19 99.55 1uez n GLY 7 Ca 0.02 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.32 0.62 -0.04 1.61 2.02 -1.21 -5.08 118.70 113.31 1uez s GLU 8 Ca 0.00 -0.90 -0.30 0.00 0.02 0.00 0.00 54.97 53.79 1uez s GLU 8 Cb 0.00 -0.79 -0.04 0.00 0.10 0.00 0.00 34.13 33.41 1uez s GLU 8 CO 0.00 -1.19 1.26 0.08 0.02 0.00 0.00 175.26 175.42 1uez s VAL 9 N 1.41 4.09 0.42 2.63 1.01 -1.26 -2.90 120.40 125.80 1uez s VAL 9 Ca 0.17 1.44 0.03 0.00 0.00 0.00 0.00 61.98 63.61 1uez s VAL 9 Cb -0.16 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.29 1uez s VAL 9 CO -0.04 0.00 0.61 0.00 0.00 0.00 0.00 175.10 175.67 1uez s ARG 10 N 2.22 3.05 -0.32 2.72 1.70 0.36 -4.94 118.95 123.75 1uez s ARG 10 Ca 0.58 -0.70 0.04 0.00 -0.47 0.00 0.00 55.73 55.18 1uez s ARG 10 Cb -0.27 -2.65 0.09 0.00 -0.57 0.00 0.00 34.95 31.55 1uez s ARG 10 CO 0.23 -0.18 0.01 -0.51 -1.08 0.00 0.00 175.30 173.77 1uez s LEU 11 N -4.43 4.38 0.05 -1.89 1.43 -1.26 -2.76 118.68 114.21 1uez s LEU 11 Ca 0.48 -1.95 -0.10 0.00 -1.03 0.00 0.00 54.13 51.53 1uez s LEU 11 Cb -0.10 -1.60 -0.06 0.00 0.03 0.00 0.00 46.19 44.46 1uez s LEU 11 CO 0.35 -0.33 0.37 -0.69 0.23 0.00 0.00 176.35 176.29 1uez s VAL 12 N 0.96 5.13 -0.10 -1.59 1.01 0.47 -4.90 120.40 121.38 1uez s VAL 12 Ca 0.05 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1uez s VAL 12 Cb -0.19 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.57 1uez s VAL 12 CO -0.07 0.35 -0.09 -0.94 0.00 0.00 0.00 175.10 174.34 1uez s SER 13 N -1.64 2.10 0.39 3.32 1.04 -1.26 0.23 113.70 117.86 1uez s SER 13 Ca 0.30 -0.31 0.08 0.00 0.48 0.00 0.00 55.95 56.50 1uez s SER 13 Cb -0.14 -0.86 -0.06 0.00 0.10 0.00 0.00 66.02 65.06 1uez s SER 13 CO 0.17 -0.07 0.04 -0.76 0.98 0.00 0.00 173.24 173.60 1uez s LEU 14 N 1.40 2.95 0.32 2.42 2.01 -1.25 -4.88 118.68 121.64 1uez s LEU 14 Ca -0.01 -1.18 0.03 0.00 0.01 0.00 0.00 54.13 52.99 1uez s LEU 14 Cb -0.13 -1.17 -0.05 0.00 0.01 0.00 0.00 46.19 44.84 1uez s LEU 14 CO -0.05 -0.39 0.09 -0.13 1.01 0.00 0.00 176.35 176.87 1uez s ARG 15 N -3.75 1.64 0.39 1.70 0.52 -1.26 -4.24 118.95 113.94 1uez s ARG 15 Ca 0.36 -1.93 0.00 0.00 -0.52 0.00 0.00 55.73 53.65 1uez s ARG 15 Cb 0.05 -0.61 0.00 0.00 0.52 0.00 0.00 34.95 34.90 1uez s ARG 15 CO 0.19 -0.29 0.00 -2.13 0.02 0.00 0.00 175.30 173.10 1uez n ARG 16 N -0.67 -4.43 0.00 3.54 3.00 -1.26 -4.69 116.66 112.15 1uez n ARG 16 Ca -0.02 3.23 0.00 0.00 -0.00 0.00 0.00 57.85 61.06 1uez n ARG 16 Cb 0.66 -3.59 0.00 0.00 0.00 0.00 0.00 32.46 29.54 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 -0.07 0.00 -2.66 5.13 0.00 -1.26 -4.36 120.51 117.29 1uez n ALA 17 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1uez n ALA 17 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1uez n ALA 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1uez n LYS 18 N 0.00 0.12 0.00 0.00 4.81 -1.26 -4.65 118.16 117.18 1uez n LYS 18 Ca 0.00 -0.63 0.00 0.00 -0.87 0.00 0.00 58.31 56.81 1uez n LYS 18 Cb 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 35.03 35.04 1uez n LYS 18 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uez n ALA 19 N -0.48 0.00 -2.56 3.14 0.00 -1.26 -4.88 120.51 114.47 1uez n ALA 19 Ca -0.28 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.73 1uez n ALA 19 Cb 0.64 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.07 1uez n ALA 19 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1uez s HIS 20 N 0.00 2.80 -0.03 0.00 -3.43 -1.26 -4.49 115.29 108.87 1uez s HIS 20 Ca 0.00 0.79 -0.02 0.00 -0.80 0.00 0.00 55.06 55.03 1uez s HIS 20 Cb 0.00 -4.27 0.01 0.00 -1.43 0.00 0.00 32.58 26.89 1uez s HIS 20 CO 0.00 -1.33 0.05 0.39 -2.00 0.00 0.00 174.74 171.85 1uez n GLU 21 N 7.70 -3.02 0.00 -0.38 -0.58 -1.26 -4.76 120.64 118.33 1uez n GLU 21 Ca 0.13 2.41 0.00 0.00 -0.42 0.00 0.00 57.16 59.28 1uez n GLU 21 Cb 0.48 -3.18 0.00 0.00 -0.57 0.00 0.00 31.44 28.18 1uez n GLU 21 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uez n GLY 22 N 1.08 -2.22 1.64 0.62 0.00 -1.26 -4.27 105.19 100.77 1uez n GLY 22 Ca -0.08 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.54 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 5.34 0.00 0.99 4.77 -1.26 -4.25 117.00 122.59 1uez n LEU 23 Ca 0.00 -3.39 0.00 0.00 -0.03 0.00 0.00 56.01 52.59 1uez n LEU 23 Cb 0.00 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 1uez n LEU 23 CO 0.00 0.94 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1uez n GLY 24 N -0.63 3.14 3.19 -0.72 0.00 -1.26 -4.45 105.19 104.46 1uez n GLY 24 Ca 0.39 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.83 2.04 0.38 1.61 -0.12 -1.26 -1.92 117.98 116.87 1uez s PHE 25 Ca 0.00 -0.60 -0.03 0.00 -0.05 0.00 0.00 56.93 56.25 1uez s PHE 25 Cb 0.00 -1.35 -0.04 0.00 -0.63 0.00 0.00 43.02 41.00 1uez s PHE 25 CO 0.00 -0.19 0.63 -1.12 -0.05 0.00 0.00 175.22 174.48 1uez s SER 26 N -0.04 6.32 0.35 1.98 0.01 0.10 -4.89 113.70 117.53 1uez s SER 26 Ca -0.04 0.67 0.09 0.00 1.31 0.00 0.00 55.95 57.98 1uez s SER 26 Cb -0.13 -2.13 -0.06 0.00 0.21 0.00 0.00 66.02 63.91 1uez s SER 26 CO 0.03 -0.36 -0.05 0.27 0.41 0.00 0.00 173.24 173.54 1uez s ILE 27 N -2.39 2.34 0.30 1.44 -4.36 -1.26 0.19 121.20 117.45 1uez s ILE 27 Ca 0.43 -2.12 -0.00 0.00 -0.26 0.00 0.00 60.65 58.71 1uez s ILE 27 Cb -0.10 -2.72 -0.02 0.00 1.25 0.00 0.00 42.46 40.87 1uez s ILE 27 CO 0.37 -0.18 0.34 0.00 0.24 0.00 0.00 174.94 175.71 1uez s ARG 28 N -3.65 1.67 2.82 0.37 1.70 0.21 -4.48 118.95 117.58 1uez s ARG 28 Ca 0.33 -1.76 0.00 0.00 -0.47 0.00 0.00 55.73 53.84 1uez s ARG 28 Cb 0.02 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.77 1uez s ARG 28 CO 0.18 -0.65 0.00 0.41 -1.08 0.00 0.00 175.30 174.16 1uez n GLY 29 N -0.50 0.61 0.00 3.88 0.00 -1.26 -3.17 105.19 104.75 1uez n GLY 29 Ca 0.03 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 3.14 0.34 -0.02 0.00 -0.82 -4.32 105.19 103.51 1uez n GLY 30 Ca 0.00 -1.66 0.21 0.00 0.00 0.00 0.00 46.02 44.57 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 0.58 -0.87 1.61 0.87 0.24 0.44 113.55 116.43 1uez h SER 31 Ca 0.00 0.17 0.23 0.00 -1.23 0.00 0.00 61.79 60.96 1uez h SER 31 Cb 0.00 0.09 -0.14 0.00 -0.44 0.00 0.00 62.40 61.91 1uez h SER 31 CO 0.00 -0.03 0.20 -0.08 -0.53 0.00 0.00 176.83 176.39 1uez h GLU 32 N 0.43 0.18 0.00 2.24 4.81 -1.88 1.05 114.58 121.42 1uez h GLU 32 Ca 0.70 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.78 1uez h GLU 32 Cb 1.49 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.81 1uez h GLU 32 CO -0.54 0.12 -0.65 0.45 -0.73 0.00 0.00 179.01 177.66 1uez h HIS 33 N 0.19 0.00 0.00 0.92 3.86 -0.44 -3.47 115.15 116.21 1uez h HIS 33 Ca 0.54 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.75 1uez h HIS 33 Cb 1.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.55 1uez h HIS 33 CO -0.29 0.62 0.00 0.41 0.86 0.00 0.00 177.93 179.53 1uez n GLY 34 N 1.26 1.16 3.57 2.45 0.00 0.36 -5.04 105.19 108.96 1uez n GLY 34 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 1.39 0.00 1.61 -7.23 -1.11 -4.95 120.40 108.11 1uez s VAL 35 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1uez s VAL 35 Cb 0.00 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.24 1uez s VAL 35 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 1uez n GLY 36 N -0.91 0.93 3.20 2.32 0.00 -1.26 -2.88 105.19 106.60 1uez n GLY 36 Ca -0.07 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.11 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 0.17 2.19 0.16 -0.61 -1.09 -1.26 -1.94 121.20 118.82 1uez s ILE 37 Ca 0.00 -0.94 -0.02 0.00 -2.23 0.00 0.00 60.65 57.46 1uez s ILE 37 Cb 0.00 -1.88 -0.04 0.00 -1.58 0.00 0.00 42.46 38.97 1uez s ILE 37 CO 0.00 0.55 0.11 -0.31 -1.23 0.00 0.00 174.94 174.05 1uez s TYR 38 N 0.71 0.96 0.22 3.97 1.51 -1.19 0.55 117.35 124.07 1uez s TYR 38 Ca -0.09 -1.27 -0.30 0.00 -1.01 0.00 0.00 57.07 54.40 1uez s TYR 38 Cb -0.16 -0.48 -0.08 0.00 -0.11 0.00 0.00 41.96 41.12 1uez s TYR 38 CO 0.01 -0.59 1.16 0.08 -1.11 0.00 0.00 175.55 175.10 1uez s VAL 39 N -4.09 3.55 -0.21 0.71 1.01 -1.15 -0.62 120.40 119.59 1uez s VAL 39 Ca 0.30 1.38 -0.05 0.00 0.00 0.00 0.00 61.98 63.61 1uez s VAL 39 Cb 0.07 -3.88 -0.11 0.00 0.00 0.00 0.00 36.38 32.46 1uez s VAL 39 CO 0.06 0.26 -0.23 -1.54 0.00 0.00 0.00 175.10 173.64 1uez n SER 40 N 2.05 1.93 -3.93 3.32 3.41 0.51 -3.49 113.62 117.42 1uez n SER 40 Ca 0.02 0.10 -0.10 0.00 -0.26 0.00 0.00 58.87 58.64 1uez n SER 40 Cb 0.45 -0.50 -0.10 0.00 -0.26 0.00 0.00 64.21 63.80 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 -6.73 1.84 -0.09 1.04 0.20 -1.12 -4.81 118.68 109.02 1uez s LEU 41 Ca -0.29 -0.47 -0.02 0.00 0.69 0.00 0.00 54.13 54.04 1uez s LEU 41 Cb 0.10 0.52 0.03 0.00 -0.43 0.00 0.00 46.19 46.41 1uez s LEU 41 CO 0.42 -0.45 0.02 -0.69 -0.29 0.00 0.00 176.35 175.37 1uez s VAL 42 N -2.20 0.26 0.48 1.68 1.01 -1.26 0.00 120.40 120.37 1uez s VAL 42 Ca -0.09 0.09 -0.23 0.00 0.00 0.00 0.00 61.98 61.75 1uez s VAL 42 Cb -0.04 -0.51 -0.07 0.00 0.00 0.00 0.00 36.38 35.76 1uez s VAL 42 CO -0.03 0.15 1.24 -1.61 0.00 0.00 0.00 175.10 174.85 1uez s GLU 43 N 2.01 3.58 0.63 2.72 2.02 -0.81 -5.00 118.70 123.86 1uez s GLU 43 Ca 0.04 1.97 -0.14 0.00 0.02 0.00 0.00 54.97 56.86 1uez s GLU 43 Cb -0.13 -2.40 -0.02 0.00 0.10 0.00 0.00 34.13 31.68 1uez s GLU 43 CO -0.05 -0.76 1.05 -1.25 0.02 0.00 0.00 175.26 174.27 1uez s PRO 44 N -2.72 3.19 -0.74 0.39 0.04 -1.26 -3.29 135.00 130.62 1uez s PRO 44 Ca 0.65 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1uez s PRO 44 Cb -0.34 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.18 1uez s PRO 44 CO 0.41 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 176.95 1uez n GLY 45 N -1.48 0.32 3.97 0.56 0.00 -1.26 -4.89 105.19 102.41 1uez n GLY 45 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.76 5.71 0.04 1.61 1.04 -1.21 -4.99 113.70 114.14 1uez s SER 46 Ca 0.00 0.12 -0.26 0.00 0.48 0.00 0.00 55.95 56.29 1uez s SER 46 Cb 0.00 -1.29 -0.17 0.00 0.10 0.00 0.00 66.02 64.66 1uez s SER 46 CO 0.00 -0.77 1.47 0.25 0.98 0.00 0.00 173.24 175.17 1uez h LEU 47 N 0.40 -0.20 -0.99 2.42 6.46 -1.90 -1.85 115.31 119.66 1uez h LEU 47 Ca -0.45 -0.16 0.21 0.00 -0.12 0.00 0.00 57.88 57.37 1uez h LEU 47 Cb 1.26 0.05 -0.19 0.00 -0.73 0.00 0.00 40.66 41.06 1uez h LEU 47 CO 0.55 0.04 -0.19 0.00 -0.62 0.00 0.00 178.44 178.22 1uez n ALA 48 N -2.31 0.29 -0.18 1.25 0.00 -1.26 0.18 120.51 118.48 1uez n ALA 48 Ca -0.09 1.08 -0.09 0.00 0.00 0.00 0.00 53.44 54.34 1uez n ALA 48 Cb 0.19 -0.68 0.01 0.00 0.00 0.00 0.00 19.45 18.98 1uez n ALA 48 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1uez h GLU 49 N 0.00 0.78 -0.85 0.00 4.57 -1.67 0.43 114.58 117.85 1uez h GLU 49 Ca 0.50 -0.17 0.03 0.00 -1.18 0.00 0.00 59.36 58.55 1uez h GLU 49 Cb 0.82 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.25 1uez h GLU 49 CO -1.00 0.73 0.56 0.87 -1.18 0.00 0.00 179.01 178.99 1uez h LYS 50 N 0.69 1.02 0.00 1.92 1.57 0.27 0.36 116.57 122.41 1uez h LYS 50 Ca 0.16 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1uez h LYS 50 Cb 0.27 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1uez h LYS 50 CO -0.01 0.68 0.00 0.39 -0.57 0.00 0.00 179.45 179.94 1uez n GLU 51 N -4.45 0.14 0.00 3.15 -0.58 0.24 -4.85 120.64 114.29 1uez n GLU 51 Ca 0.11 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1uez n GLU 51 Cb 0.11 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 1uez n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uez n GLY 52 N 0.55 3.06 3.09 0.62 0.00 0.13 -4.94 105.19 107.71 1uez n GLY 52 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.79 0.00 0.99 7.94 0.15 -4.85 117.00 117.43 1uez n LEU 53 Ca 0.00 0.58 0.00 0.00 -1.11 0.00 0.00 56.01 55.48 1uez n LEU 53 Cb 0.00 -0.81 0.00 0.00 0.53 0.00 0.00 43.42 43.14 1uez n LEU 53 CO 0.00 -4.75 0.00 0.54 -1.11 0.00 0.00 177.39 172.07 1uez n ARG 54 N 1.56 0.00 -1.57 1.96 5.12 -1.26 -4.13 116.66 118.35 1uez n ARG 54 Ca 0.06 0.00 -0.57 0.00 -1.93 0.00 0.00 57.85 55.41 1uez n ARG 54 Cb 0.46 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.68 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 -0.02 0.19 0.00 1.55 0.31 -1.26 -2.10 118.33 117.00 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 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 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 5.37 4.39 3.10 2.92 0.00 -1.23 -5.00 105.19 114.74 1uez n GLY 56 Ca 0.36 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.68 -3.75 1.61 8.00 -0.89 -4.70 116.55 114.14 1uez n ASP 57 Ca 0.00 -0.16 -0.28 0.00 0.71 0.00 0.00 54.79 55.06 1uez n ASP 57 Cb 0.00 -0.75 -0.16 0.00 -0.02 0.00 0.00 41.12 40.19 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 -2.96 0.72 -1.05 -1.24 0.74 -1.26 -2.96 119.66 111.65 1uez s GLN 58 Ca 0.42 -0.50 -0.24 0.00 0.05 0.00 0.00 55.36 55.09 1uez s GLN 58 Cb -0.03 -2.14 -0.07 0.00 1.10 0.00 0.00 33.01 31.87 1uez s GLN 58 CO 0.53 -0.66 1.95 0.42 -0.55 0.00 0.00 175.29 176.98 1uez s ILE 59 N 1.81 3.49 0.02 -2.34 -1.09 0.19 -2.92 121.20 120.36 1uez s ILE 59 Ca -0.01 -0.65 -0.26 0.00 -2.23 0.00 0.00 60.65 57.50 1uez s ILE 59 Cb -0.17 -4.29 -0.17 0.00 -1.58 0.00 0.00 42.46 36.25 1uez s ILE 59 CO -0.09 -0.95 1.33 -0.07 -1.23 0.00 0.00 174.94 173.92 1uez h LEU 60 N 17.89 -0.40 -9.24 2.97 3.38 -0.26 -3.40 115.31 126.25 1uez h LEU 60 Ca 0.16 -0.13 -0.52 0.00 0.09 0.00 0.00 57.88 57.48 1uez h LEU 60 Cb 0.97 0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.69 1uez h LEU 60 CO 1.21 -0.08 -0.66 -0.13 0.09 0.00 0.00 178.44 178.87 1uez s ARG 61 N -4.98 1.64 -0.23 1.13 0.52 -1.19 -2.43 118.95 113.42 1uez s ARG 61 Ca -0.15 -1.86 -0.04 0.00 -0.52 0.00 0.00 55.73 53.17 1uez s ARG 61 Cb 0.03 -1.24 0.10 0.00 0.52 0.00 0.00 34.95 34.35 1uez s ARG 61 CO 0.56 0.01 0.19 0.54 0.02 0.00 0.00 175.30 176.63 1uez s VAL 62 N -2.96 -0.25 0.00 3.52 0.11 -0.51 -0.97 120.40 119.34 1uez s VAL 62 Ca 0.31 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 1uez s VAL 62 Cb 0.05 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 1uez s VAL 62 CO 0.14 -0.36 0.00 -3.20 -3.33 0.00 0.00 175.10 168.34 1uez n ASN 63 N 5.30 0.00 0.00 3.54 2.85 0.52 -3.43 115.26 124.03 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 0.48 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.50 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 2.94 0.00 -4.76 1.20 2.03 -1.26 -4.60 116.55 112.10 1uez n ASP 64 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 1uez n ASP 64 Cb 0.00 0.08 -0.03 0.00 -0.72 0.00 0.00 41.12 40.45 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 -1.75 4.38 -0.23 -0.67 1.02 -1.22 -4.97 119.74 116.31 1uez s LYS 65 Ca 0.00 2.14 -0.18 0.00 0.02 0.00 0.00 55.97 57.96 1uez s LYS 65 Cb 0.00 -3.12 -0.03 0.00 -0.52 0.00 0.00 37.83 34.16 1uez s LYS 65 CO 0.00 -0.20 0.49 -1.54 -0.92 0.00 0.00 175.35 173.18 1uez s SER 66 N -0.17 6.48 -0.02 2.83 1.04 -1.26 -1.42 113.70 121.18 1uez s SER 66 Ca 0.52 0.57 -0.07 0.00 0.48 0.00 0.00 55.95 57.46 1uez s SER 66 Cb -0.38 -2.28 -0.04 0.00 0.10 0.00 0.00 66.02 63.42 1uez s SER 66 CO 0.46 -0.21 0.49 -0.07 0.98 0.00 0.00 173.24 174.89 1uez h LEU 67 N 8.26 -0.21 0.00 2.42 3.38 -1.78 -3.47 115.31 123.92 1uez h LEU 67 Ca -0.32 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1uez h LEU 67 Cb 1.15 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1uez h LEU 67 CO 0.72 -0.01 0.00 0.00 0.09 0.00 0.00 178.44 179.25 1uez n ALA 68 N -2.34 0.00 -1.00 1.53 0.00 -1.23 -4.32 120.51 113.14 1uez n ALA 68 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1uez n ALA 68 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 0.00 0.00 -1.12 0.00 3.00 -1.26 -4.00 116.66 113.28 1uez n ARG 69 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.85 57.95 1uez n ARG 69 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 1uez n ARG 69 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1uez n VAL 70 N -0.51 -0.43 -2.59 1.55 0.24 -1.26 -3.62 118.33 111.71 1uez n VAL 70 Ca 0.00 0.53 -0.35 0.00 -2.04 0.00 0.00 64.34 62.48 1uez n VAL 70 Cb 0.00 -0.84 -0.04 0.00 -1.47 0.00 0.00 33.84 31.49 1uez n VAL 70 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1uez s THR 71 N -4.17 3.86 0.57 3.34 -4.23 -1.26 0.20 115.64 113.96 1uez s THR 71 Ca 0.00 1.25 0.34 0.00 -1.18 0.00 0.00 61.69 62.10 1uez s THR 71 Cb 0.00 -3.55 0.49 0.00 1.34 0.00 0.00 72.50 70.78 1uez s THR 71 CO 0.00 -0.17 1.68 -0.74 -0.54 0.00 0.00 174.62 174.85 1uez h HIS 72 N 1.93 0.00 0.11 3.99 2.76 -1.86 1.54 115.15 123.62 1uez h HIS 72 Ca -0.49 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 57.42 1uez h HIS 72 Cb 1.21 0.00 0.03 0.00 1.55 0.00 0.00 27.41 30.20 1uez h HIS 72 CO 0.58 0.00 -1.07 0.00 -1.30 0.00 0.00 177.93 176.14 1uez h ALA 73 N 1.15 -0.02 0.70 5.26 0.00 -1.94 -2.96 119.26 121.45 1uez h ALA 73 Ca 0.50 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1uez h ALA 73 Cb 2.33 0.10 0.01 0.00 0.00 0.00 0.00 17.79 20.23 1uez h ALA 73 CO -0.01 0.57 -0.34 0.93 0.00 0.00 0.00 179.25 180.41 1uez h GLU 74 N 0.08 -0.90 -0.82 0.00 4.39 0.18 0.58 114.58 118.08 1uez h GLU 74 Ca -0.17 0.06 0.19 0.00 0.34 0.00 0.00 59.36 59.78 1uez h GLU 74 Cb 1.78 0.21 -0.15 0.00 -0.10 0.00 0.00 28.75 30.49 1uez h GLU 74 CO 0.21 -0.60 -0.06 0.00 -1.16 0.00 0.00 179.01 177.39 1uez h ALA 75 N -1.56 0.77 0.24 3.43 0.00 -1.23 0.63 119.26 121.53 1uez h ALA 75 Ca -0.10 0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1uez h ALA 75 Cb 0.72 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1uez h ALA 75 CO 0.16 -0.44 -0.12 0.28 0.00 0.00 0.00 179.25 179.13 1uez h VAL 76 N 0.05 0.78 -0.05 0.00 2.07 -1.33 0.96 116.25 118.72 1uez h VAL 76 Ca 0.44 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.91 1uez h VAL 76 Cb 0.77 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1uez h VAL 76 CO -0.77 0.02 0.23 0.11 0.02 0.00 0.00 177.57 177.17 1uez h LYS 77 N -0.35 0.00 0.12 1.57 1.57 0.39 0.18 116.57 120.04 1uez h LYS 77 Ca -0.03 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.39 1uez h LYS 77 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1uez h LYS 77 CO 0.05 0.00 -1.95 0.00 -0.57 0.00 0.00 179.45 176.98 1uez h ALA 78 N 1.60 0.45 -0.89 3.86 0.00 0.17 -3.42 119.26 121.02 1uez h ALA 78 Ca 0.03 -1.38 -0.39 0.00 0.00 0.00 0.00 54.91 53.16 1uez h ALA 78 Cb 0.48 0.67 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1uez h ALA 78 CO -0.00 1.32 0.98 -0.51 0.00 0.00 0.00 179.25 181.05 1uez s LEU 79 N -6.97 3.26 -0.13 0.00 1.43 0.32 -4.88 118.68 111.71 1uez s LEU 79 Ca -0.20 -0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 52.00 1uez s LEU 79 Cb 0.07 -2.56 0.04 0.00 0.03 0.00 0.00 46.19 43.76 1uez s LEU 79 CO 0.78 -2.38 0.33 -0.54 0.23 0.00 0.00 176.35 174.78 1uez s LYS 80 N 6.46 0.37 0.00 1.70 3.01 -1.26 -4.87 119.74 125.15 1uez s LYS 80 Ca 0.63 0.51 0.00 0.00 -1.01 0.00 0.00 55.97 56.09 1uez s LYS 80 Cb -0.05 0.14 0.00 0.00 -1.01 0.00 0.00 37.83 36.90 1uez s LYS 80 CO -0.01 -0.07 0.48 0.41 0.51 0.00 0.00 175.35 176.67 1uez n GLY 81 N 3.18 -3.16 5.35 -3.33 0.00 -1.26 -4.71 105.19 101.27 1uez n GLY 81 Ca -0.15 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.65 0.00 -3.51 1.61 7.64 -1.26 -3.79 113.62 113.66 1uez n SER 82 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1uez n SER 82 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 1uez n SER 82 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1uez s LYS 83 N 0.00 0.30 -0.03 1.43 1.02 -1.26 -4.99 119.74 116.21 1uez s LYS 83 Ca 0.00 -0.78 -0.02 0.00 0.02 0.00 0.00 55.97 55.19 1uez s LYS 83 Cb 0.00 -1.20 0.00 0.00 -0.52 0.00 0.00 37.83 36.12 1uez s LYS 83 CO 0.00 -1.08 0.04 0.36 -0.92 0.00 0.00 175.35 173.75 1uez n LYS 84 N 4.87 -0.27 -2.51 1.68 2.85 -1.26 -4.85 118.16 118.68 1uez n LYS 84 Ca -0.00 0.56 -0.33 0.00 -1.05 0.00 0.00 58.31 57.48 1uez n LYS 84 Cb 0.40 -0.72 -0.04 0.00 -0.65 0.00 0.00 35.03 34.02 1uez n LYS 84 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1uez s LEU 85 N -0.77 3.78 -0.31 -5.58 2.96 -1.25 -5.01 118.68 112.50 1uez s LEU 85 Ca 0.02 1.80 0.02 0.00 -0.22 0.00 0.00 54.13 55.75 1uez s LEU 85 Cb -0.00 -4.54 0.09 0.00 0.50 0.00 0.00 46.19 42.24 1uez s LEU 85 CO 0.05 -0.71 0.05 -0.69 -1.32 0.00 0.00 176.35 173.73 1uez s VAL 86 N -2.21 1.69 -0.23 1.68 1.01 -1.26 -3.96 120.40 117.13 1uez s VAL 86 Ca 0.64 -1.85 -0.29 0.00 0.00 0.00 0.00 61.98 60.48 1uez s VAL 86 Cb -0.13 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1uez s VAL 86 CO 0.23 -0.54 1.14 -0.76 0.00 0.00 0.00 175.10 175.16 1uez s LEU 87 N 1.22 4.08 -0.46 3.92 2.01 0.61 -0.36 118.68 129.71 1uez s LEU 87 Ca 0.08 1.42 -0.19 0.00 0.01 0.00 0.00 54.13 55.44 1uez s LEU 87 Cb -0.18 -3.54 0.04 0.00 0.01 0.00 0.00 46.19 42.51 1uez s LEU 87 CO -0.14 -0.76 0.60 -0.44 1.01 0.00 0.00 176.35 176.62 1uez s SER 88 N 1.65 6.26 -0.03 2.29 0.01 -0.14 -0.39 113.70 123.34 1uez s SER 88 Ca 0.49 -0.62 0.06 0.00 1.31 0.00 0.00 55.95 57.19 1uez s SER 88 Cb -0.17 -2.29 -0.01 0.00 0.21 0.00 0.00 66.02 63.76 1uez s SER 88 CO 0.12 -0.79 -0.21 0.68 0.41 0.00 0.00 173.24 173.44 1uez s VAL 89 N 2.63 1.71 -0.29 3.43 -7.23 -1.11 0.42 120.40 119.95 1uez s VAL 89 Ca 0.18 -0.90 -0.14 0.00 -1.81 0.00 0.00 61.98 59.30 1uez s VAL 89 Cb -0.17 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 1uez s VAL 89 CO 0.15 0.48 0.33 -0.47 -0.31 0.00 0.00 175.10 175.28 1uez s TYR 90 N -0.34 3.23 -0.18 2.82 5.04 -1.15 -0.48 117.35 126.29 1uez s TYR 90 Ca 0.04 0.22 -0.09 0.00 -2.44 0.00 0.00 57.07 54.80 1uez s TYR 90 Cb -0.10 -2.56 -0.05 0.00 0.35 0.00 0.00 41.96 39.61 1uez s TYR 90 CO 0.00 -0.27 0.13 0.45 -1.34 0.00 0.00 175.55 174.53 1uez s SER 91 N 1.69 6.27 0.33 4.32 0.15 -1.14 -4.34 113.70 120.98 1uez s SER 91 Ca 0.12 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1uez s SER 91 Cb -0.16 -2.09 -0.01 0.00 -1.71 0.00 0.00 66.02 62.06 1uez s SER 91 CO 0.11 0.25 0.41 0.00 1.20 0.00 0.00 173.24 175.20 1uez s ALA 92 N -0.06 1.07 -0.72 5.45 0.00 -1.26 -3.29 121.76 122.95 1uez s ALA 92 Ca 0.10 -1.67 -0.31 0.00 0.00 0.00 0.00 51.96 50.09 1uez s ALA 92 Cb -0.11 1.25 -0.15 0.00 0.00 0.00 0.00 23.12 24.11 1uez s ALA 92 CO -0.00 -0.75 2.51 0.41 0.00 0.00 0.00 175.76 177.93 1uez n GLY 93 N -0.56 -0.11 3.65 0.00 0.00 -1.26 -4.81 105.19 102.09 1uez n GLY 93 Ca 0.03 0.96 -0.03 0.00 0.00 0.00 0.00 46.02 46.98 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 8.24 0.25 0.02 1.61 6.06 -1.26 -5.17 118.95 128.69 1uez s ARG 94 Ca 1.19 0.36 0.01 0.00 -2.50 0.00 0.00 55.73 54.79 1uez s ARG 94 Cb -0.85 0.08 -0.01 0.00 0.06 0.00 0.00 34.95 34.23 1uez s ARG 94 CO 0.42 -0.04 -0.04 -1.50 -2.50 0.00 0.00 175.30 171.64 1uez s ILE 95 N 0.69 0.28 -0.28 4.11 2.07 -1.26 -5.15 121.20 121.66 1uez s ILE 95 Ca -0.02 -0.67 -0.29 0.00 -1.41 0.00 0.00 60.65 58.26 1uez s ILE 95 Cb -0.04 -0.34 0.19 0.00 0.13 0.00 0.00 42.46 42.40 1uez s ILE 95 CO -0.12 -0.26 1.35 -0.94 -1.91 0.00 0.00 174.94 173.06 1uez s SER 96 N -0.98 -0.05 0.00 4.50 1.04 -1.26 -5.17 113.70 111.78 1uez s SER 96 Ca -0.08 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1uez s SER 96 Cb -0.07 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.09 1uez s SER 96 CO -0.00 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1uez n GLY 97 N 0.53 -2.70 2.31 7.32 0.00 -1.26 -5.02 105.19 106.37 1uez n GLY 97 Ca -0.00 -1.34 -0.19 0.00 0.00 0.00 0.00 46.02 44.49 1uez n GLY 97 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uez n PRO 98 N -1.60 -1.57 -3.66 1.61 -0.04 -1.26 -5.11 135.00 123.38 1uez n PRO 98 Ca 0.00 -1.19 -0.14 0.00 -0.04 0.00 0.00 63.50 62.13 1uez n PRO 98 Cb 0.00 -0.94 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 1uez n PRO 98 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1uez s SER 99 N -3.71 -0.35 -0.34 3.54 0.01 -1.26 -5.13 113.70 106.46 1uez s SER 99 Ca 0.46 0.19 -0.05 0.00 1.31 0.00 0.00 55.95 57.86 1uez s SER 99 Cb -0.03 0.42 0.05 0.00 0.21 0.00 0.00 66.02 66.67 1uez s SER 99 CO 0.34 -0.59 0.09 -0.94 0.41 0.00 0.00 173.24 172.54 1uez s SER 100 N -1.64 5.19 0.00 2.44 1.04 -1.26 -5.32 113.70 114.15 1uez s SER 100 Ca -0.09 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.05 1uez s SER 100 Cb -0.02 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.28 1uez s SER 100 CO 0.02 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.51