#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 1.68 0.00 1.61 2.88 -1.26 -5.11 113.62 113.42 1uez n SER 2 Ca 0.00 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1uez n SER 2 Cb 0.00 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 1uez n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uez n SER 3 N -4.16 0.00 -3.67 -3.46 7.64 -1.26 -5.16 113.62 103.55 1uez n SER 3 Ca -0.11 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.68 1uez n SER 3 Cb 0.38 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.48 1uez n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uez s GLY 4 N 0.00 -0.36 0.38 0.23 0.00 -1.26 -5.03 107.32 101.29 1uez s GLY 4 Ca 0.00 1.52 0.00 0.00 0.00 0.00 0.00 44.72 46.24 1uez s GLY 4 CO 0.00 2.26 0.00 -1.26 0.00 0.00 0.00 173.10 174.10 1uez n SER 5 N 5.13 -2.21 -4.65 1.64 2.88 -1.26 -5.13 113.62 110.03 1uez n SER 5 Ca -0.12 0.70 -0.31 0.00 -1.33 0.00 0.00 58.87 57.81 1uez n SER 5 Cb 0.51 2.17 0.18 0.00 -0.75 0.00 0.00 64.21 66.32 1uez n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uez s SER 6 N -3.47 2.65 0.00 -3.46 0.01 -1.26 -5.03 113.70 103.15 1uez s SER 6 Ca 0.00 2.15 0.00 0.00 1.31 0.00 0.00 55.95 59.41 1uez s SER 6 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1uez s SER 6 CO 0.00 -3.27 0.00 0.61 0.41 0.00 0.00 173.24 170.99 1uez n GLY 7 N 0.33 -0.93 2.46 3.44 0.00 -1.26 -4.99 105.19 104.24 1uez n GLY 7 Ca 0.11 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 1uez n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uez n GLU 8 N 0.00 0.25 -2.44 1.61 1.02 -1.26 -5.07 120.64 114.75 1uez n GLU 8 Ca 0.00 -2.96 -0.42 0.00 -0.02 0.00 0.00 57.16 53.76 1uez n GLU 8 Cb 0.00 -1.63 -0.03 0.00 -0.02 0.00 0.00 31.44 29.76 1uez n GLU 8 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1uez s VAL 9 N 0.20 4.21 0.39 2.62 1.01 -1.26 -3.15 120.40 124.43 1uez s VAL 9 Ca 0.32 1.54 0.02 0.00 0.00 0.00 0.00 61.98 63.87 1uez s VAL 9 Cb 0.03 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1uez s VAL 9 CO -0.17 0.01 0.58 0.00 0.00 0.00 0.00 175.10 175.52 1uez s ARG 10 N 2.12 3.15 -0.27 2.72 1.70 0.35 -4.98 118.95 123.75 1uez s ARG 10 Ca 0.57 -0.63 0.03 0.00 -0.47 0.00 0.00 55.73 55.22 1uez s ARG 10 Cb -0.25 -2.66 0.07 0.00 -0.57 0.00 0.00 34.95 31.53 1uez s ARG 10 CO 0.23 -0.08 -0.08 -0.51 -1.08 0.00 0.00 175.30 173.77 1uez s LEU 11 N -4.39 3.57 -0.09 -1.89 1.43 -1.26 -2.80 118.68 113.26 1uez s LEU 11 Ca 0.45 -1.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.01 1uez s LEU 11 Cb -0.10 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 1uez s LEU 11 CO 0.35 -0.22 0.10 -0.69 0.23 0.00 0.00 176.35 176.12 1uez s VAL 12 N 1.10 5.11 -0.20 -1.59 1.01 0.36 -4.93 120.40 121.26 1uez s VAL 12 Ca -0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 1uez s VAL 12 Cb -0.20 -3.24 0.05 0.00 0.00 0.00 0.00 36.38 32.99 1uez s VAL 12 CO -0.06 0.56 -0.05 -0.44 0.00 0.00 0.00 175.10 175.11 1uez s SER 13 N -1.17 3.36 -0.21 3.32 0.01 -1.26 0.20 113.70 117.97 1uez s SER 13 Ca 0.17 -0.93 -0.05 0.00 1.31 0.00 0.00 55.95 56.44 1uez s SER 13 Cb -0.12 -1.05 -0.02 0.00 0.21 0.00 0.00 66.02 65.04 1uez s SER 13 CO 0.06 -0.21 -0.00 -0.76 0.41 0.00 0.00 173.24 172.74 1uez s LEU 14 N 1.52 3.21 0.44 2.44 2.01 -1.10 -4.87 118.68 122.33 1uez s LEU 14 Ca -0.03 -0.24 0.07 0.00 0.01 0.00 0.00 54.13 53.95 1uez s LEU 14 Cb -0.17 -1.82 -0.03 0.00 0.01 0.00 0.00 46.19 44.18 1uez s LEU 14 CO -0.07 0.04 0.27 -0.60 1.01 0.00 0.00 176.35 177.00 1uez s ARG 15 N 1.15 2.32 0.20 1.70 3.52 -1.26 -3.86 118.95 122.71 1uez s ARG 15 Ca 0.03 -1.80 0.00 0.00 -0.13 0.00 0.00 55.73 53.83 1uez s ARG 15 Cb -0.14 -2.10 0.00 0.00 -1.56 0.00 0.00 34.95 31.14 1uez s ARG 15 CO 0.01 -0.23 0.00 0.54 -0.81 0.00 0.00 175.30 174.81 1uez n ARG 16 N -1.42 -3.62 -1.47 5.12 1.74 -1.26 -4.76 116.66 110.99 1uez n ARG 16 Ca -0.00 2.67 0.00 0.00 -0.77 0.00 0.00 57.85 59.75 1uez n ARG 16 Cb 0.64 -2.81 0.00 0.00 -1.02 0.00 0.00 32.46 29.27 1uez n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1uez n ALA 17 N 0.74 0.00 -0.76 7.54 0.00 -1.26 -4.25 120.51 122.52 1uez n ALA 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1uez n ALA 17 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.31 0.00 0.00 0.00 3.00 -1.26 -5.02 118.16 114.57 1uez n LYS 18 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1uez n LYS 18 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1uez n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1uez n ALA 19 N -0.89 0.00 -2.73 3.14 0.00 -1.26 -5.09 120.51 113.67 1uez n ALA 19 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1uez n ALA 19 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 2.73 0.00 0.00 -3.43 -1.26 -4.64 115.29 108.69 1uez s HIS 20 Ca 0.00 -0.26 0.00 0.00 -0.80 0.00 0.00 55.06 54.00 1uez s HIS 20 Cb 0.00 -4.16 0.00 0.00 -1.43 0.00 0.00 32.58 26.99 1uez s HIS 20 CO 0.00 -1.49 0.00 0.39 -2.00 0.00 0.00 174.74 171.64 1uez n GLU 21 N 7.59 0.00 0.00 -0.38 1.02 -1.26 -4.81 120.64 122.80 1uez n GLU 21 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1uez n GLU 21 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 1uez n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uez n GLY 22 N 0.00 -0.43 5.00 0.62 0.00 -1.26 -4.84 105.19 104.27 1uez n GLY 22 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.81 0.00 0.00 0.99 4.77 -1.26 -3.31 117.00 117.39 1uez n LEU 23 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1uez n LEU 23 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1uez n LEU 23 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1uez n GLY 24 N 0.00 0.49 3.05 -0.72 0.00 -1.26 -4.49 105.19 102.26 1uez n GLY 24 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.10 1.08 0.09 1.61 -0.71 -1.21 -0.30 117.98 117.43 1uez s PHE 25 Ca 0.00 -0.24 -0.15 0.00 -1.04 0.00 0.00 56.93 55.51 1uez s PHE 25 Cb 0.00 -0.72 -0.06 0.00 -1.21 0.00 0.00 43.02 41.02 1uez s PHE 25 CO 0.00 -0.06 0.49 0.45 -1.34 0.00 0.00 175.22 174.76 1uez s SER 26 N -0.08 6.84 0.34 1.98 0.15 0.10 -4.78 113.70 118.25 1uez s SER 26 Ca 0.01 1.04 0.08 0.00 0.70 0.00 0.00 55.95 57.78 1uez s SER 26 Cb -0.07 -2.27 -0.03 0.00 -1.71 0.00 0.00 66.02 61.94 1uez s SER 26 CO 0.00 0.20 0.26 0.27 1.20 0.00 0.00 173.24 175.17 1uez s ILE 27 N -1.29 3.32 0.31 6.45 -4.36 -1.26 -0.80 121.20 123.58 1uez s ILE 27 Ca 0.32 -1.46 -0.04 0.00 -0.26 0.00 0.00 60.65 59.21 1uez s ILE 27 Cb -0.16 -3.11 -0.00 0.00 1.25 0.00 0.00 42.46 40.43 1uez s ILE 27 CO 0.18 -0.16 0.44 0.00 0.24 0.00 0.00 174.94 175.63 1uez s ARG 28 N -3.96 1.78 1.57 0.37 1.70 0.19 -4.72 118.95 115.88 1uez s ARG 28 Ca 0.40 -1.66 0.00 0.00 -0.47 0.00 0.00 55.73 54.00 1uez s ARG 28 Cb -0.05 0.43 0.00 0.00 -0.57 0.00 0.00 34.95 34.77 1uez s ARG 28 CO 0.26 -0.73 0.00 0.41 -1.08 0.00 0.00 175.30 174.16 1uez n GLY 29 N -0.51 0.08 0.00 3.88 0.00 -1.26 -2.46 105.19 104.93 1uez n GLY 29 Ca 0.01 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 3.90 0.28 -0.02 0.00 0.12 -4.49 105.19 104.99 1uez n GLY 30 Ca 0.00 -1.63 0.03 0.00 0.00 0.00 0.00 46.02 44.42 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 0.39 0.11 1.61 0.87 -0.33 -0.03 113.55 116.17 1uez h SER 31 Ca 0.00 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 1uez h SER 31 Cb 0.00 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1uez h SER 31 CO 0.00 0.36 -0.05 1.05 -0.53 0.00 0.00 176.83 177.67 1uez h GLU 32 N 0.43 0.00 0.00 2.24 4.11 -1.85 -0.41 114.58 119.11 1uez h GLU 32 Ca 0.11 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.48 1uez h GLU 32 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1uez h GLU 32 CO -0.01 0.05 -1.43 0.72 0.07 0.00 0.00 179.01 178.41 1uez n HIS 33 N -3.91 0.66 0.00 2.06 8.25 -0.17 -4.96 115.22 117.16 1uez n HIS 33 Ca -0.03 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1uez n HIS 33 Cb 0.14 -0.87 0.00 0.00 1.12 0.00 0.00 29.99 30.38 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 1.28 0.52 3.75 -1.41 0.00 -0.16 -5.00 105.19 104.17 1uez n GLY 34 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1uez n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1uez s VAL 35 N -2.00 2.54 0.00 1.61 -7.23 -0.53 -4.92 120.40 109.86 1uez s VAL 35 Ca 0.00 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 1uez s VAL 35 Cb 0.00 -2.98 0.00 0.00 0.56 0.00 0.00 36.38 33.96 1uez s VAL 35 CO 0.00 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 1uez n GLY 36 N -1.24 0.80 3.11 2.32 0.00 -1.26 -2.17 105.19 106.75 1uez n GLY 36 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 0.57 0.89 0.02 -0.61 -1.09 -1.26 0.12 121.20 119.85 1uez s ILE 37 Ca 0.00 -1.03 -0.28 0.00 -2.23 0.00 0.00 60.65 57.12 1uez s ILE 37 Cb 0.00 -0.86 0.08 0.00 -1.58 0.00 0.00 42.46 40.11 1uez s ILE 37 CO 0.00 -0.15 0.72 -0.31 -1.23 0.00 0.00 174.94 173.98 1uez s TYR 38 N -1.03 -0.53 0.02 3.97 1.51 -1.03 -2.75 117.35 117.51 1uez s TYR 38 Ca -0.02 0.62 -0.28 0.00 -1.01 0.00 0.00 57.07 56.38 1uez s TYR 38 Cb -0.08 0.49 -0.04 0.00 -0.11 0.00 0.00 41.96 42.22 1uez s TYR 38 CO 0.01 -0.66 0.89 0.08 -1.11 0.00 0.00 175.55 174.76 1uez s VAL 39 N -2.45 4.79 -0.11 0.71 1.01 -1.20 0.56 120.40 123.71 1uez s VAL 39 Ca -0.03 1.87 0.03 0.00 0.00 0.00 0.00 61.98 63.86 1uez s VAL 39 Cb -0.01 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1uez s VAL 39 CO -0.03 0.25 0.12 -1.54 0.00 0.00 0.00 175.10 173.90 1uez n SER 40 N 3.43 1.38 -3.70 3.32 3.41 0.02 0.34 113.62 121.82 1uez n SER 40 Ca 0.02 -0.40 -0.14 0.00 -0.26 0.00 0.00 58.87 58.09 1uez n SER 40 Cb 0.50 1.05 -0.09 0.00 -0.26 0.00 0.00 64.21 65.41 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 -2.48 0.14 -0.04 1.04 1.98 -1.18 -4.81 118.68 113.31 1uez s LEU 41 Ca 0.01 0.88 -0.00 0.00 -2.89 0.00 0.00 54.13 52.12 1uez s LEU 41 Cb 0.02 1.71 0.03 0.00 0.66 0.00 0.00 46.19 48.61 1uez s LEU 41 CO 0.14 -0.23 0.00 -0.69 -1.89 0.00 0.00 176.35 173.68 1uez s VAL 42 N -0.02 0.23 0.28 1.68 1.01 -1.26 0.01 120.40 122.33 1uez s VAL 42 Ca -0.02 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 1uez s VAL 42 Cb -0.03 -0.36 -0.10 0.00 0.00 0.00 0.00 36.38 35.89 1uez s VAL 42 CO 0.02 0.19 1.34 -1.61 0.00 0.00 0.00 175.10 175.04 1uez s GLU 43 N 1.39 4.34 0.78 2.72 2.02 0.59 -4.99 118.70 125.55 1uez s GLU 43 Ca -0.04 2.21 -0.11 0.00 0.02 0.00 0.00 54.97 57.04 1uez s GLU 43 Cb -0.13 -3.10 0.06 0.00 0.10 0.00 0.00 34.13 31.05 1uez s GLU 43 CO -0.03 -0.26 1.09 -1.25 0.02 0.00 0.00 175.26 174.83 1uez s PRO 44 N -1.09 2.26 -0.12 0.39 0.04 -1.26 -3.51 135.00 131.71 1uez s PRO 44 Ca 0.53 0.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.26 1uez s PRO 44 Cb -0.40 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.22 1uez s PRO 44 CO 0.47 -1.51 0.04 0.41 0.04 0.00 0.00 177.00 176.45 1uez n GLY 45 N -2.08 -0.44 3.95 0.56 0.00 -1.26 -4.85 105.19 101.08 1uez n GLY 45 Ca 0.07 0.00 -0.21 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 -1.85 5.04 -0.00 1.61 1.04 -1.23 -5.00 113.70 113.32 1uez s SER 46 Ca 0.05 -0.86 -0.25 0.00 0.48 0.00 0.00 55.95 55.37 1uez s SER 46 Cb -0.03 -0.08 -0.19 0.00 0.10 0.00 0.00 66.02 65.82 1uez s SER 46 CO 0.06 -0.98 1.34 0.25 0.98 0.00 0.00 173.24 174.89 1uez h LEU 47 N 0.65 -0.04 -0.17 2.42 5.85 -1.87 -0.95 115.31 121.21 1uez h LEU 47 Ca -0.37 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.01 1uez h LEU 47 Cb 1.28 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.29 1uez h LEU 47 CO 0.51 0.35 -0.25 0.00 -0.34 0.00 0.00 178.44 178.71 1uez h ALA 48 N 0.51 -0.52 -0.90 1.25 0.00 -1.88 1.51 119.26 119.22 1uez h ALA 48 Ca -0.00 -0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.07 1uez h ALA 48 Cb 0.40 0.89 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 1uez h ALA 48 CO 0.01 -0.64 0.49 1.49 0.00 0.00 0.00 179.25 180.60 1uez h GLU 49 N -0.18 0.63 -0.27 0.00 4.81 -1.73 0.59 114.58 118.43 1uez h GLU 49 Ca 0.03 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1uez h GLU 49 Cb 0.26 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1uez h GLU 49 CO -0.26 0.42 0.02 0.87 -0.73 0.00 0.00 179.01 179.34 1uez h LYS 50 N 0.65 0.39 0.00 1.92 1.57 0.58 0.39 116.57 122.08 1uez h LYS 50 Ca 0.51 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1uez h LYS 50 Cb 0.76 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1uez h LYS 50 CO -0.38 0.40 0.00 0.93 -0.57 0.00 0.00 179.45 179.83 1uez h GLU 51 N 0.39 0.00 0.00 3.15 4.39 0.76 -3.46 114.58 119.80 1uez h GLU 51 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1uez h GLU 51 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1uez h GLU 51 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1uez n GLY 52 N 0.28 1.57 3.28 -3.84 0.00 0.13 -4.91 105.19 101.70 1uez n GLY 52 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.96 0.00 0.99 7.94 -0.75 -4.92 117.00 118.30 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 -0.98 0.00 0.00 0.53 0.00 0.00 43.42 42.97 1uez n LEU 53 CO 0.00 -3.41 0.00 0.54 -1.11 0.00 0.00 177.39 173.41 1uez n ARG 54 N -1.24 0.00 -1.26 1.96 1.74 -1.26 -4.39 116.66 112.21 1uez n ARG 54 Ca 0.02 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.69 1uez n ARG 54 Cb 0.60 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.04 1uez n ARG 54 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1uez n VAL 55 N -0.32 0.80 0.00 1.55 3.14 -1.26 -2.43 118.33 119.81 1uez n VAL 55 Ca 0.00 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 60.90 1uez n VAL 55 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1uez n VAL 55 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1uez n GLY 56 N 2.19 2.09 3.30 7.55 0.00 0.15 -4.94 105.19 115.54 1uez n GLY 56 Ca 0.12 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 0.22 -1.12 -0.20 1.61 1.11 -1.02 -4.80 116.67 112.46 1uez s ASP 57 Ca 0.00 0.82 -0.03 0.00 0.18 0.00 0.00 52.55 53.52 1uez s ASP 57 Cb 0.00 -1.14 0.06 0.00 1.07 0.00 0.00 42.92 42.91 1uez s ASP 57 CO 0.00 -5.39 0.05 -1.58 1.18 0.00 0.00 175.17 169.43 1uez s GLN 58 N -5.12 0.54 -1.17 8.23 0.74 -1.26 -3.23 119.66 118.40 1uez s GLN 58 Ca 0.69 -0.41 -0.23 0.00 0.05 0.00 0.00 55.36 55.46 1uez s GLN 58 Cb -0.12 -2.03 -0.11 0.00 1.10 0.00 0.00 33.01 31.85 1uez s GLN 58 CO 0.57 -0.68 1.96 0.42 -0.55 0.00 0.00 175.29 177.02 1uez s ILE 59 N 1.90 3.47 0.07 -2.34 -1.09 -1.11 -2.87 121.20 119.24 1uez s ILE 59 Ca 0.00 -0.80 -0.35 0.00 -2.23 0.00 0.00 60.65 57.28 1uez s ILE 59 Cb -0.17 -4.48 -0.18 0.00 -1.58 0.00 0.00 42.46 36.05 1uez s ILE 59 CO -0.10 -0.87 1.53 -0.07 -1.23 0.00 0.00 174.94 174.21 1uez h LEU 60 N 18.38 -1.23 -9.06 2.97 3.38 0.00 -3.43 115.31 126.32 1uez h LEU 60 Ca 0.19 0.08 -0.50 0.00 0.09 0.00 0.00 57.88 57.74 1uez h LEU 60 Cb 0.95 0.37 -0.14 0.00 0.09 0.00 0.00 40.66 41.93 1uez h LEU 60 CO 1.20 -0.70 -0.71 -0.13 0.09 0.00 0.00 178.44 178.19 1uez s ARG 61 N -5.75 1.49 -0.14 1.13 0.52 -1.12 -2.33 118.95 112.75 1uez s ARG 61 Ca -0.18 -1.72 -0.04 0.00 -0.52 0.00 0.00 55.73 53.28 1uez s ARG 61 Cb 0.03 -1.24 0.07 0.00 0.52 0.00 0.00 34.95 34.33 1uez s ARG 61 CO 0.57 0.13 0.17 0.54 0.02 0.00 0.00 175.30 176.73 1uez s VAL 62 N -2.92 -0.26 0.00 3.52 0.11 -0.41 0.23 120.40 120.67 1uez s VAL 62 Ca 0.27 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 1uez s VAL 62 Cb 0.01 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.37 1uez s VAL 62 CO 0.11 -0.06 0.00 -3.20 -3.33 0.00 0.00 175.10 168.62 1uez n ASN 63 N 5.32 0.00 0.00 3.54 4.05 0.44 -3.23 115.26 125.38 1uez n ASN 63 Ca -0.05 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.98 1uez n ASN 63 Cb 0.50 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.51 1uez n ASN 63 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 1uez n ASP 64 N 3.73 0.00 -4.78 1.20 2.03 -1.26 -4.55 116.55 112.92 1uez n ASP 64 Ca 0.00 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.01 1uez n ASP 64 Cb 0.00 0.04 0.10 0.00 -0.72 0.00 0.00 41.12 40.54 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 -1.19 2.03 -0.08 -0.67 -0.14 -1.20 -5.00 119.74 113.49 1uez s LYS 65 Ca 0.00 0.83 -0.02 0.00 -1.36 0.00 0.00 55.97 55.41 1uez s LYS 65 Cb 0.00 -1.90 -0.03 0.00 -1.68 0.00 0.00 37.83 34.22 1uez s LYS 65 CO 0.00 -1.71 0.02 -1.12 -0.76 0.00 0.00 175.35 171.79 1uez s SER 66 N -3.67 5.41 -0.66 2.83 0.01 -1.26 -1.28 113.70 115.07 1uez s SER 66 Ca 0.61 0.18 -0.02 0.00 1.31 0.00 0.00 55.95 58.03 1uez s SER 66 Cb -0.16 -1.55 0.36 0.00 0.21 0.00 0.00 66.02 64.88 1uez s SER 66 CO 0.55 0.37 2.10 0.18 0.41 0.00 0.00 173.24 176.85 1uez n LEU 67 N 2.04 7.40 -4.64 2.44 4.77 -0.98 -4.96 117.00 123.07 1uez n LEU 67 Ca -0.18 -4.29 -0.43 0.00 -0.03 0.00 0.00 56.01 51.08 1uez n LEU 67 Cb 0.54 -1.04 -0.03 0.00 -2.33 0.00 0.00 43.42 40.56 1uez n LEU 67 CO 0.29 1.54 1.43 0.00 -1.33 0.00 0.00 177.39 179.33 1uez s ALA 68 N -3.46 3.35 -0.20 -1.18 0.00 -1.26 -3.93 121.76 115.08 1uez s ALA 68 Ca 0.56 0.70 -0.17 0.00 0.00 0.00 0.00 51.96 53.06 1uez s ALA 68 Cb 0.44 -3.84 0.03 0.00 0.00 0.00 0.00 23.12 19.75 1uez s ALA 68 CO -0.14 -1.84 0.29 0.54 0.00 0.00 0.00 175.76 174.61 1uez n ARG 69 N 7.60 -1.04 -3.85 0.00 1.74 -1.26 -5.00 116.66 114.85 1uez n ARG 69 Ca 0.19 1.09 -0.12 0.00 -0.77 0.00 0.00 57.85 58.25 1uez n ARG 69 Cb 0.44 -1.54 -0.11 0.00 -1.02 0.00 0.00 32.46 30.23 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 -1.22 0.05 0.56 1.55 -7.23 -1.25 -4.78 120.40 108.07 1uez s VAL 70 Ca 0.17 -0.40 -0.21 0.00 -1.81 0.00 0.00 61.98 59.73 1uez s VAL 70 Cb -0.02 -0.34 -0.05 0.00 0.56 0.00 0.00 36.38 36.53 1uez s VAL 70 CO 0.39 -0.22 1.20 0.35 -0.31 0.00 0.00 175.10 176.52 1uez n THR 71 N 2.13 3.77 -0.23 5.32 -2.24 -1.26 -0.45 114.28 121.32 1uez n THR 71 Ca -0.18 -0.50 0.32 0.00 -2.27 0.00 0.00 64.05 61.41 1uez n THR 71 Cb 0.57 -1.45 0.72 0.00 -2.10 0.00 0.00 70.33 68.08 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 1.08 0.00 -0.31 4.78 2.76 -1.90 1.27 115.15 122.83 1uez h HIS 72 Ca -0.49 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.49 1uez h HIS 72 Cb 1.33 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.29 1uez h HIS 72 CO 0.42 0.00 -0.52 0.00 -1.30 0.00 0.00 177.93 176.53 1uez h ALA 73 N 1.36 0.48 0.88 5.26 0.00 -1.95 -2.25 119.26 123.03 1uez h ALA 73 Ca 0.48 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1uez h ALA 73 Cb 2.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1uez h ALA 73 CO -0.01 0.68 -0.47 0.93 0.00 0.00 0.00 179.25 180.38 1uez h GLU 74 N 0.70 -1.20 -0.47 0.00 4.39 0.13 0.55 114.58 118.68 1uez h GLU 74 Ca 0.02 0.08 0.10 0.00 0.34 0.00 0.00 59.36 59.90 1uez h GLU 74 Cb 1.13 0.27 -0.09 0.00 -0.10 0.00 0.00 28.75 29.96 1uez h GLU 74 CO 0.12 -0.80 -0.16 0.00 -1.16 0.00 0.00 179.01 177.01 1uez h ALA 75 N -1.17 0.23 0.05 3.43 0.00 -1.46 0.73 119.26 121.08 1uez h ALA 75 Ca -0.12 0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1uez h ALA 75 Cb 0.97 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1uez h ALA 75 CO 0.16 -0.50 -0.20 0.28 0.00 0.00 0.00 179.25 179.00 1uez h VAL 76 N -0.06 0.54 -0.11 0.00 2.07 -1.20 1.55 116.25 119.04 1uez h VAL 76 Ca 0.23 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.78 1uez h VAL 76 Cb 0.41 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1uez h VAL 76 CO -0.52 0.00 0.39 0.11 0.02 0.00 0.00 177.57 177.57 1uez h LYS 77 N -0.35 0.00 0.03 1.57 1.57 0.17 0.54 116.57 120.10 1uez h LYS 77 Ca 0.04 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.47 1uez h LYS 77 Cb 0.40 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.66 1uez h LYS 77 CO -0.15 0.00 -2.12 0.00 -0.57 0.00 0.00 179.45 176.61 1uez n ALA 78 N -1.99 1.32 -1.18 3.86 0.00 0.87 -4.26 120.51 119.14 1uez n ALA 78 Ca 0.01 -0.93 -0.19 0.00 0.00 0.00 0.00 53.44 52.33 1uez n ALA 78 Cb 0.47 -0.48 -0.07 0.00 0.00 0.00 0.00 19.45 19.36 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 -3.14 6.01 0.00 0.00 4.77 0.49 -4.50 117.00 120.63 1uez n LEU 79 Ca -0.31 -3.56 0.00 0.00 -0.03 0.00 0.00 56.01 52.11 1uez n LEU 79 Cb 1.06 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1uez n LEU 79 CO 0.40 1.59 0.00 0.29 -1.33 0.00 0.00 177.39 178.34 1uez n LYS 80 N 1.34 0.00 0.00 3.23 4.01 -1.08 -4.90 118.16 120.77 1uez n LYS 80 Ca 0.41 0.07 0.00 0.00 -0.51 0.00 0.00 58.31 58.27 1uez n LYS 80 Cb 0.66 -0.53 0.00 0.00 -0.51 0.00 0.00 35.03 34.65 1uez n LYS 80 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1uez n GLY 81 N 2.42 -0.37 0.00 0.72 0.00 -1.26 -4.93 105.19 101.77 1uez n GLY 81 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 0.00 -0.33 1.61 7.64 -1.26 -4.94 113.62 116.34 1uez n SER 82 Ca 0.00 0.00 0.22 0.00 1.01 0.00 0.00 58.87 60.10 1uez n SER 82 Cb 0.00 0.00 0.41 0.00 -1.01 0.00 0.00 64.21 63.61 1uez n SER 82 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1uez h LYS 83 N 0.00 0.01 -0.81 1.43 6.56 -2.03 -3.36 116.57 118.36 1uez h LYS 83 Ca 0.00 -0.00 0.12 0.00 -1.06 0.00 0.00 60.65 59.71 1uez h LYS 83 Cb 0.00 -0.00 -0.21 0.00 -0.57 0.00 0.00 32.23 31.45 1uez h LYS 83 CO 0.00 0.01 -0.19 0.21 -2.06 0.00 0.00 179.45 177.42 1uez s LYS 84 N -5.81 0.46 -0.26 3.15 2.47 -1.26 -4.99 119.74 113.49 1uez s LYS 84 Ca -0.11 0.74 -0.29 0.00 -1.56 0.00 0.00 55.97 54.75 1uez s LYS 84 Cb 0.31 0.40 0.01 0.00 -1.46 0.00 0.00 37.83 37.10 1uez s LYS 84 CO 0.78 -0.58 1.05 -1.17 0.16 0.00 0.00 175.35 175.60 1uez s LEU 85 N 2.88 4.04 -0.49 5.43 2.96 -1.25 -4.94 118.68 127.30 1uez s LEU 85 Ca 0.15 1.25 -0.19 0.00 -0.22 0.00 0.00 54.13 55.12 1uez s LEU 85 Cb -0.12 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.08 1uez s LEU 85 CO -0.20 -0.75 0.60 -0.69 -1.32 0.00 0.00 176.35 173.99 1uez s VAL 86 N 3.38 4.90 -0.27 1.68 1.01 -1.26 -2.71 120.40 127.13 1uez s VAL 86 Ca 0.45 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.79 1uez s VAL 86 Cb -0.14 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 1uez s VAL 86 CO 0.10 -0.74 0.59 -0.76 0.00 0.00 0.00 175.10 174.29 1uez s LEU 87 N 2.56 4.08 -0.41 3.92 2.01 0.55 0.17 118.68 131.55 1uez s LEU 87 Ca 0.15 0.59 -0.17 0.00 0.01 0.00 0.00 54.13 54.72 1uez s LEU 87 Cb -0.19 -2.79 0.02 0.00 0.01 0.00 0.00 46.19 43.24 1uez s LEU 87 CO 0.13 -0.37 0.40 -0.44 1.01 0.00 0.00 176.35 177.08 1uez s SER 88 N 1.53 6.18 0.01 2.29 0.01 0.13 -0.48 113.70 123.36 1uez s SER 88 Ca 0.24 -0.67 0.06 0.00 1.31 0.00 0.00 55.95 56.90 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 0.09 -0.53 -0.20 0.68 0.41 0.00 0.00 173.24 173.69 1uez s VAL 89 N 2.04 1.56 0.07 3.43 -7.23 -1.12 0.72 120.40 119.87 1uez s VAL 89 Ca 0.11 -0.96 -0.00 0.00 -1.81 0.00 0.00 61.98 59.31 1uez s VAL 89 Cb -0.17 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 1uez s VAL 89 CO 0.13 0.34 0.23 -0.47 -0.31 0.00 0.00 175.10 175.01 1uez s TYR 90 N -0.59 3.51 0.07 2.82 5.04 -1.14 -0.50 117.35 126.58 1uez s TYR 90 Ca 0.07 0.27 0.03 0.00 -2.44 0.00 0.00 57.07 55.00 1uez s TYR 90 Cb -0.08 -1.78 -0.04 0.00 0.35 0.00 0.00 41.96 40.41 1uez s TYR 90 CO 0.00 0.57 0.06 -1.54 -1.34 0.00 0.00 175.55 173.30 1uez s SER 91 N -2.54 5.39 -0.45 4.32 1.04 -1.19 -4.18 113.70 116.10 1uez s SER 91 Ca 0.35 -0.04 0.04 0.00 0.48 0.00 0.00 55.95 56.78 1uez s SER 91 Cb -0.13 -1.41 0.26 0.00 0.10 0.00 0.00 66.02 64.84 1uez s SER 91 CO 0.28 0.18 1.00 0.00 0.98 0.00 0.00 173.24 175.68 1uez n ALA 92 N 0.56 -1.80 -2.50 5.32 0.00 -1.26 -4.41 120.51 116.42 1uez n ALA 92 Ca -0.10 -1.17 -0.25 0.00 0.00 0.00 0.00 53.44 51.92 1uez n ALA 92 Cb 0.52 -1.73 -0.13 0.00 0.00 0.00 0.00 19.45 18.10 1uez n ALA 92 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1uez s GLY 93 N -1.32 1.17 0.05 0.00 0.00 -1.26 -5.14 107.32 100.81 1uez s GLY 93 Ca 0.29 -1.13 -0.12 0.00 0.00 0.00 0.00 44.72 43.76 1uez s GLY 93 CO -0.19 -1.09 0.41 0.50 0.00 0.00 0.00 173.10 172.74 1uez s ARG 94 N -1.46 3.84 -0.07 2.90 3.00 -1.26 -5.04 118.95 120.85 1uez s ARG 94 Ca 0.07 0.30 -0.30 0.00 0.00 0.00 0.00 55.73 55.80 1uez s ARG 94 Cb -0.09 -3.09 -0.03 0.00 0.00 0.00 0.00 34.95 31.74 1uez s ARG 94 CO 0.03 0.61 1.25 0.96 0.00 0.00 0.00 175.30 178.15 1uez s ILE 95 N -1.26 4.17 0.27 1.52 -4.36 -1.26 -4.76 121.20 115.51 1uez s ILE 95 Ca 0.29 1.48 0.00 0.00 -0.26 0.00 0.00 60.65 62.16 1uez s ILE 95 Cb -0.15 -3.95 0.00 0.00 1.25 0.00 0.00 42.46 39.60 1uez s ILE 95 CO 0.16 -0.04 0.00 -1.20 0.24 0.00 0.00 174.94 174.10 1uez n SER 96 N 5.61 -0.99 0.00 4.36 7.64 -1.26 -5.17 113.62 123.81 1uez n SER 96 Ca 0.12 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.48 1uez n SER 96 Cb 0.45 1.09 0.00 0.00 -1.01 0.00 0.00 64.21 64.74 1uez n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uez n GLY 97 N 0.74 2.85 3.78 0.23 0.00 -1.26 -5.17 105.19 106.36 1uez n GLY 97 Ca 0.00 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.00 0.73 0.09 1.61 0.04 -1.26 -5.04 135.00 129.17 1uez s PRO 98 Ca 0.00 0.14 -0.00 0.00 0.04 0.00 0.00 61.00 61.18 1uez s PRO 98 Cb 0.00 -1.80 -0.00 0.00 0.04 0.00 0.00 34.50 32.73 1uez s PRO 98 CO 0.00 -2.45 -0.00 0.43 0.04 0.00 0.00 177.00 175.02 1uez n SER 99 N -3.91 1.06 -1.84 6.66 7.64 -1.26 -5.14 113.62 116.83 1uez n SER 99 Ca 0.09 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1uez n SER 99 Cb 0.59 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 1uez n SER 99 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1uez n SER 100 N -3.45 -9.02 0.00 6.43 2.88 -1.26 -5.36 113.62 103.84 1uez n SER 100 Ca -0.00 1.30 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 1uez n SER 100 Cb 0.00 -4.82 0.00 0.00 -0.75 0.00 0.00 64.21 58.64 1uez n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42