#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 0.00 -4.49 1.61 7.64 -1.26 -4.88 113.62 112.24 1uez n SER 2 Ca 0.00 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.43 1uez n SER 2 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1uez n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uez n SER 3 N 2.12 -0.06 -4.07 6.43 7.64 -1.26 -4.92 113.62 119.50 1uez n SER 3 Ca 0.00 1.11 -0.35 0.00 1.01 0.00 0.00 58.87 60.64 1uez n SER 3 Cb 0.00 -1.13 -0.10 0.00 -1.01 0.00 0.00 64.21 61.97 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 -0.79 2.58 1.04 0.23 0.00 -1.26 -5.09 107.32 104.04 1uez s GLY 4 Ca 0.61 -3.36 -0.13 0.00 0.00 0.00 0.00 44.72 41.84 1uez s GLY 4 CO 0.58 1.10 0.65 1.44 0.00 0.00 0.00 173.10 176.87 1uez n SER 5 N 3.23 -1.48 -3.62 1.64 7.64 -1.26 -5.02 113.62 114.74 1uez n SER 5 Ca 0.09 0.11 -0.24 0.00 1.01 0.00 0.00 58.87 59.85 1uez n SER 5 Cb 0.37 -1.23 -0.17 0.00 -1.01 0.00 0.00 64.21 62.17 1uez n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uez s SER 6 N -2.23 1.98 0.00 6.43 0.15 -1.26 -5.06 113.70 113.71 1uez s SER 6 Ca 0.62 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.87 1uez s SER 6 Cb -0.21 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 63.91 1uez s SER 6 CO 0.64 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.37 1uez n GLY 7 N 5.29 2.66 2.55 9.45 0.00 -1.26 -5.08 105.19 118.79 1uez n GLY 7 Ca -0.06 -1.08 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 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 -4.06 1.12 -0.11 1.61 2.12 -1.23 -5.07 118.70 113.08 1uez s GLU 8 Ca 0.00 -2.07 -0.30 0.00 0.36 0.00 0.00 54.97 52.97 1uez s GLU 8 Cb 0.00 -1.87 -0.01 0.00 0.26 0.00 0.00 34.13 32.51 1uez s GLU 8 CO 0.00 -1.28 1.03 0.08 -0.54 0.00 0.00 175.26 174.55 1uez s VAL 9 N 0.16 4.73 0.42 3.70 1.01 -1.26 -1.85 120.40 127.32 1uez s VAL 9 Ca 0.25 2.01 0.02 0.00 0.00 0.00 0.00 61.98 64.25 1uez s VAL 9 Cb -0.10 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 1uez s VAL 9 CO -0.10 -0.00 0.62 0.00 0.00 0.00 0.00 175.10 175.62 1uez s ARG 10 N 2.08 3.07 -0.29 2.72 1.70 0.66 -4.91 118.95 123.97 1uez s ARG 10 Ca 0.49 -0.61 0.03 0.00 -0.47 0.00 0.00 55.73 55.16 1uez s ARG 10 Cb -0.19 -2.62 0.08 0.00 -0.57 0.00 0.00 34.95 31.65 1uez s ARG 10 CO 0.18 -0.20 -0.02 -0.51 -1.08 0.00 0.00 175.30 173.67 1uez s LEU 11 N -4.47 3.85 0.06 -1.89 1.43 -1.26 -2.45 118.68 113.95 1uez s LEU 11 Ca 0.48 -1.71 -0.09 0.00 -1.03 0.00 0.00 54.13 51.77 1uez s LEU 11 Cb -0.10 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 1uez s LEU 11 CO 0.36 -0.29 0.37 -0.69 0.23 0.00 0.00 176.35 176.33 1uez s VAL 12 N 1.08 5.15 -0.10 -1.59 1.01 0.93 -4.89 120.40 121.98 1uez s VAL 12 Ca 0.01 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.37 1uez s VAL 12 Cb -0.19 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1uez s VAL 12 CO -0.08 0.31 -0.10 -0.94 0.00 0.00 0.00 175.10 174.29 1uez s SER 13 N -1.75 2.12 -0.24 3.32 1.04 -1.26 0.20 113.70 117.14 1uez s SER 13 Ca 0.32 -0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.44 1uez s SER 13 Cb -0.14 -0.88 0.05 0.00 0.10 0.00 0.00 66.02 65.15 1uez s SER 13 CO 0.18 -0.06 -0.11 -0.76 0.98 0.00 0.00 173.24 173.47 1uez s LEU 14 N 1.34 2.92 -0.18 2.42 2.01 -1.21 -4.80 118.68 121.19 1uez s LEU 14 Ca -0.01 -1.18 -0.02 0.00 0.01 0.00 0.00 54.13 52.92 1uez s LEU 14 Cb -0.14 -1.41 0.05 0.00 0.01 0.00 0.00 46.19 44.70 1uez s LEU 14 CO -0.05 -0.17 0.02 -0.13 1.01 0.00 0.00 176.35 177.03 1uez s ARG 15 N 1.23 0.79 0.00 1.70 1.81 -1.26 -4.57 118.95 118.65 1uez s ARG 15 Ca -0.05 -0.40 0.00 0.00 -1.72 0.00 0.00 55.73 53.55 1uez s ARG 15 Cb -0.18 -1.99 0.00 0.00 -0.45 0.00 0.00 34.95 32.33 1uez s ARG 15 CO -0.07 -0.58 0.00 0.54 -0.68 0.00 0.00 175.30 174.52 1uez n ARG 16 N 5.02 0.00 -3.65 3.54 1.74 -1.26 -5.13 116.66 116.92 1uez n ARG 16 Ca -0.09 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 56.99 1uez n ARG 16 Cb 0.47 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.85 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 -2.48 0.00 7.54 0.00 -1.26 -4.52 121.76 121.04 1uez s ALA 17 Ca 0.00 2.02 0.00 0.00 0.00 0.00 0.00 51.96 53.98 1uez s ALA 17 Cb 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.26 1uez s ALA 17 CO 0.00 -0.30 0.00 0.36 0.00 0.00 0.00 175.76 175.82 1uez n LYS 18 N 3.12 0.00 -1.16 0.00 2.85 -1.26 -4.94 118.16 116.77 1uez n LYS 18 Ca -0.17 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.06 1uez n LYS 18 Cb 0.57 -0.23 -0.04 0.00 -0.65 0.00 0.00 35.03 34.67 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 -2.32 3.28 0.00 0.58 0.00 -1.26 -5.10 120.51 115.68 1uez n ALA 19 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.19 1uez n ALA 19 Cb 0.09 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 0.17 0.00 -1.06 0.00 1.44 -1.26 -5.16 115.22 109.35 1uez n HIS 20 Ca -0.16 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.55 1uez n HIS 20 Cb 0.85 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.96 1uez n HIS 20 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1uez n GLU 21 N -0.12 -2.78 0.00 -1.40 4.71 -1.26 -4.61 120.64 115.18 1uez n GLU 21 Ca 0.00 2.16 0.00 0.00 -0.01 0.00 0.00 57.16 59.31 1uez n GLU 21 Cb 0.00 -2.70 0.00 0.00 -1.01 0.00 0.00 31.44 27.73 1uez n GLU 21 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1uez n GLY 22 N -2.26 3.31 0.26 0.62 0.00 -1.26 -4.56 105.19 101.29 1uez n GLY 22 Ca -0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 46.02 45.29 1uez n GLY 22 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uez h LEU 23 N 0.00 0.45 0.00 0.99 3.38 -1.90 -3.44 115.31 114.80 1uez h LEU 23 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1uez h LEU 23 Cb 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1uez h LEU 23 CO 0.00 0.58 0.00 0.61 0.09 0.00 0.00 178.44 179.72 1uez n GLY 24 N -0.75 0.83 3.01 0.83 0.00 -1.26 -4.53 105.19 103.32 1uez n GLY 24 Ca 0.01 0.00 -0.22 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 -2.00 1.12 0.33 1.61 -0.12 -1.26 -0.01 117.98 117.65 1uez s PHE 25 Ca 0.00 -0.32 -0.08 0.00 -0.05 0.00 0.00 56.93 56.48 1uez s PHE 25 Cb 0.00 -0.81 -0.06 0.00 -0.63 0.00 0.00 43.02 41.52 1uez s PHE 25 CO 0.00 -0.15 0.65 -1.12 -0.05 0.00 0.00 175.22 174.54 1uez s SER 26 N 0.35 6.50 0.35 1.98 0.01 -0.05 -4.98 113.70 117.85 1uez s SER 26 Ca -0.06 0.91 0.09 0.00 1.31 0.00 0.00 55.95 58.20 1uez s SER 26 Cb -0.11 -2.23 -0.06 0.00 0.21 0.00 0.00 66.02 63.83 1uez s SER 26 CO 0.01 -0.27 -0.04 0.27 0.41 0.00 0.00 173.24 173.62 1uez s ILE 27 N -2.18 2.36 0.08 1.44 -4.36 -1.26 -2.08 121.20 115.20 1uez s ILE 27 Ca 0.47 -2.09 -0.10 0.00 -0.26 0.00 0.00 60.65 58.67 1uez s ILE 27 Cb -0.11 -2.74 0.01 0.00 1.25 0.00 0.00 42.46 40.88 1uez s ILE 27 CO 0.30 -0.18 0.23 0.00 0.24 0.00 0.00 174.94 175.53 1uez s ARG 28 N -3.66 0.86 0.00 0.37 1.70 0.17 -4.75 118.95 113.63 1uez s ARG 28 Ca 0.34 -0.84 0.00 0.00 -0.47 0.00 0.00 55.73 54.75 1uez s ARG 28 Cb 0.02 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.76 1uez s ARG 28 CO 0.18 -0.28 0.00 0.41 -1.08 0.00 0.00 175.30 174.53 1uez n GLY 29 N 0.05 0.12 0.00 3.88 0.00 -1.26 -1.66 105.19 106.31 1uez n GLY 29 Ca -0.16 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.78 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 4.50 0.29 -0.02 0.00 -0.24 -4.42 105.19 105.30 1uez n GLY 30 Ca 0.00 -1.23 0.05 0.00 0.00 0.00 0.00 46.02 44.84 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 0.29 0.26 1.61 0.87 -0.75 0.15 113.55 115.98 1uez h SER 31 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1uez h SER 31 Cb 0.00 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1uez h SER 31 CO 0.00 0.23 0.00 1.05 -0.53 0.00 0.00 176.83 177.58 1uez h GLU 32 N 0.35 0.00 0.00 2.24 4.11 -1.87 -0.75 114.58 118.65 1uez h GLU 32 Ca 0.09 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.34 1uez h GLU 32 Cb -0.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1uez h GLU 32 CO -0.02 0.00 -2.18 0.72 0.07 0.00 0.00 179.01 177.60 1uez n HIS 33 N -2.74 0.00 0.00 2.06 8.25 0.40 -4.98 115.22 118.21 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 0.12 -0.74 0.00 0.00 1.12 0.00 0.00 29.99 30.49 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 1.52 0.92 3.50 -1.41 0.00 -0.29 -5.02 105.19 104.41 1uez n GLY 34 Ca -0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 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 2.18 0.00 1.61 -7.23 -0.97 -4.98 120.40 109.01 1uez s VAL 35 Ca 0.00 -2.24 0.00 0.00 -1.81 0.00 0.00 61.98 57.93 1uez s VAL 35 Cb 0.00 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.43 1uez s VAL 35 CO 0.00 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.12 1uez n GLY 36 N -0.70 0.85 3.16 2.32 0.00 -1.26 -2.27 105.19 107.28 1uez n GLY 36 Ca -0.05 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 1.11 0.05 -0.61 -1.09 -1.26 -1.08 121.20 118.32 1uez s ILE 37 Ca 0.00 -1.20 -0.27 0.00 -2.23 0.00 0.00 60.65 56.96 1uez s ILE 37 Cb 0.00 -1.05 0.08 0.00 -1.58 0.00 0.00 42.46 39.91 1uez s ILE 37 CO 0.00 -0.14 0.72 -0.31 -1.23 0.00 0.00 174.94 173.98 1uez s TYR 38 N -1.12 -0.51 0.03 3.97 2.02 -0.66 -2.93 117.35 118.14 1uez s TYR 38 Ca -0.01 0.51 -0.28 0.00 -0.37 0.00 0.00 57.07 56.93 1uez s TYR 38 Cb -0.09 0.51 -0.04 0.00 -0.40 0.00 0.00 41.96 41.94 1uez s TYR 38 CO 0.02 -0.68 0.88 0.08 -1.57 0.00 0.00 175.55 174.28 1uez s VAL 39 N -2.79 4.78 -0.14 0.71 1.01 -1.23 0.42 120.40 123.15 1uez s VAL 39 Ca -0.01 1.87 0.04 0.00 0.00 0.00 0.00 61.98 63.88 1uez s VAL 39 Cb -0.01 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1uez s VAL 39 CO -0.06 0.26 0.16 -1.54 0.00 0.00 0.00 175.10 173.92 1uez n SER 40 N 3.38 1.37 -3.70 3.32 3.41 -0.88 0.34 113.62 120.85 1uez n SER 40 Ca 0.02 -0.42 -0.14 0.00 -0.26 0.00 0.00 58.87 58.08 1uez n SER 40 Cb 0.50 1.06 -0.09 0.00 -0.26 0.00 0.00 64.21 65.43 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 -2.55 0.15 -0.05 1.04 1.98 -1.24 -4.81 118.68 113.21 1uez s LEU 41 Ca 0.01 0.89 -0.00 0.00 -2.89 0.00 0.00 54.13 52.13 1uez s LEU 41 Cb 0.03 1.69 0.03 0.00 0.66 0.00 0.00 46.19 48.60 1uez s LEU 41 CO 0.18 -0.22 0.00 -0.69 -1.89 0.00 0.00 176.35 173.74 1uez s VAL 42 N 0.03 0.24 0.11 1.68 1.01 -1.26 -0.87 120.40 121.33 1uez s VAL 42 Ca -0.02 0.12 -0.31 0.00 0.00 0.00 0.00 61.98 61.77 1uez s VAL 42 Cb -0.03 -0.37 -0.08 0.00 0.00 0.00 0.00 36.38 35.89 1uez s VAL 42 CO 0.02 0.19 1.49 -1.61 0.00 0.00 0.00 175.10 175.19 1uez s GLU 43 N 1.47 4.26 0.75 2.72 2.02 0.99 -4.98 118.70 125.93 1uez s GLU 43 Ca -0.03 2.20 -0.11 0.00 0.02 0.00 0.00 54.97 57.04 1uez s GLU 43 Cb -0.13 -3.32 0.04 0.00 0.10 0.00 0.00 34.13 30.82 1uez s GLU 43 CO -0.03 -0.56 1.08 -1.25 0.02 0.00 0.00 175.26 174.52 1uez s PRO 44 N 1.53 2.50 -0.76 0.39 0.04 -1.26 -3.40 135.00 134.04 1uez s PRO 44 Ca 0.68 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1uez s PRO 44 Cb -0.39 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1uez s PRO 44 CO 0.30 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 176.39 1uez n GLY 45 N -2.04 0.31 3.26 0.56 0.00 -1.26 -4.88 105.19 101.13 1uez n GLY 45 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.50 2.15 0.06 1.61 3.41 -1.22 -5.01 113.62 114.12 1uez n SER 46 Ca -0.08 -2.46 -0.12 0.00 -0.26 0.00 0.00 58.87 55.95 1uez n SER 46 Cb 0.36 -0.19 -0.08 0.00 -0.26 0.00 0.00 64.21 64.04 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 -0.18 -0.12 1.04 5.85 -1.88 -2.28 115.31 117.74 1uez h LEU 47 Ca -0.26 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.11 1uez h LEU 47 Cb 1.07 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1uez h LEU 47 CO 0.40 0.33 -0.10 0.00 -0.34 0.00 0.00 178.44 178.73 1uez h ALA 48 N -0.11 -0.25 -1.04 1.25 0.00 -1.87 1.64 119.26 118.90 1uez h ALA 48 Ca -0.02 0.01 0.28 0.00 0.00 0.00 0.00 54.91 55.18 1uez h ALA 48 Cb 0.53 0.92 -0.07 0.00 0.00 0.00 0.00 17.79 19.16 1uez h ALA 48 CO 0.04 -0.31 0.71 1.49 0.00 0.00 0.00 179.25 181.18 1uez h GLU 49 N -0.04 0.20 -0.07 0.00 4.57 -1.71 1.33 114.58 118.86 1uez h GLU 49 Ca 0.02 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.05 1uez h GLU 49 Cb 0.09 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1uez h GLU 49 CO -0.13 0.14 -0.58 0.87 -1.18 0.00 0.00 179.01 178.12 1uez h LYS 50 N 0.21 0.22 0.00 1.92 1.57 0.98 -2.50 116.57 118.97 1uez h LYS 50 Ca 0.54 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1uez h LYS 50 Cb 1.72 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.05 1uez h LYS 50 CO -0.15 0.74 0.00 0.93 -0.57 0.00 0.00 179.45 180.40 1uez h GLU 51 N 0.17 0.00 0.00 3.15 4.39 1.22 -3.46 114.58 120.05 1uez h GLU 51 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1uez h GLU 51 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1uez h GLU 51 CO 0.09 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.35 1uez n GLY 52 N 0.31 1.24 3.35 -3.84 0.00 -0.49 -4.96 105.19 100.79 1uez n GLY 52 Ca 0.02 0.00 -0.32 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 -1.47 0.00 0.99 7.94 -0.95 -4.94 117.00 118.58 1uez n LEU 53 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1uez n LEU 53 Cb 0.00 -1.08 0.00 0.00 0.53 0.00 0.00 43.42 42.87 1uez n LEU 53 CO 0.00 -3.22 0.00 0.54 -1.11 0.00 0.00 177.39 173.60 1uez n ARG 54 N -2.48 0.00 -1.26 1.96 5.12 -1.26 -4.39 116.66 114.35 1uez n ARG 54 Ca 0.03 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.54 1uez n ARG 54 Cb 0.59 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.88 1uez n ARG 54 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 1uez n VAL 55 N -0.42 0.98 0.00 1.55 3.14 -1.26 -2.40 118.33 119.93 1uez n VAL 55 Ca 0.00 -0.47 0.00 0.00 -2.96 0.00 0.00 64.34 60.91 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 2.12 2.24 2.21 7.55 0.00 0.15 -4.94 105.19 114.52 1uez n GLY 56 Ca 0.12 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 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 0.17 -3.34 -3.64 1.61 9.92 -1.01 -4.79 116.55 115.47 1uez n ASP 57 Ca 0.00 -0.55 -0.26 0.00 -0.53 0.00 0.00 54.79 53.45 1uez n ASP 57 Cb 0.00 -0.67 -0.17 0.00 -0.64 0.00 0.00 41.12 39.64 1uez n ASP 57 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1uez s GLN 58 N -4.15 0.18 -1.15 -1.24 0.74 -1.26 -3.49 119.66 109.29 1uez s GLN 58 Ca 0.42 -0.12 -0.22 0.00 0.05 0.00 0.00 55.36 55.50 1uez s GLN 58 Cb -0.07 -1.79 -0.07 0.00 1.10 0.00 0.00 33.01 32.18 1uez s GLN 58 CO 0.35 -0.64 1.91 -0.89 -0.55 0.00 0.00 175.29 175.48 1uez n ILE 59 N 5.23 2.25 0.19 -2.34 2.08 -1.15 -2.91 119.36 122.72 1uez n ILE 59 Ca -0.07 -2.29 -0.13 0.00 0.56 0.00 0.00 62.75 60.82 1uez n ILE 59 Cb 0.49 -2.23 -0.07 0.00 -0.75 0.00 0.00 39.64 37.08 1uez n ILE 59 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1uez h LEU 60 N 16.24 -1.04 -9.65 1.39 3.38 -0.39 -3.43 115.31 121.81 1uez h LEU 60 Ca 0.29 0.09 -0.60 0.00 0.09 0.00 0.00 57.88 57.75 1uez h LEU 60 Cb 0.88 0.35 -0.11 0.00 0.09 0.00 0.00 40.66 41.87 1uez h LEU 60 CO 1.38 -0.47 -0.60 -0.13 0.09 0.00 0.00 178.44 178.71 1uez s ARG 61 N -5.03 2.04 -0.18 1.13 0.52 -1.15 -2.61 118.95 113.67 1uez s ARG 61 Ca -0.13 -1.87 -0.04 0.00 -0.52 0.00 0.00 55.73 53.17 1uez s ARG 61 Cb 0.03 -1.85 0.08 0.00 0.52 0.00 0.00 34.95 33.73 1uez s ARG 61 CO 0.43 0.05 0.17 0.54 0.02 0.00 0.00 175.30 176.52 1uez s VAL 62 N -2.59 -0.24 0.00 3.52 0.11 0.04 -1.65 120.40 119.59 1uez s VAL 62 Ca 0.36 -0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 1uez s VAL 62 Cb 0.03 -0.59 0.00 0.00 -1.53 0.00 0.00 36.38 34.29 1uez s VAL 62 CO 0.19 -0.18 0.00 -3.20 -3.33 0.00 0.00 175.10 168.58 1uez n ASN 63 N 5.31 0.00 0.00 3.54 2.85 0.79 -2.85 115.26 124.89 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 2.97 0.00 -4.77 1.20 -0.08 -1.26 -4.54 116.55 110.07 1uez n ASP 64 Ca 0.00 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.96 1uez n ASP 64 Cb 0.00 0.22 0.07 0.00 2.34 0.00 0.00 41.12 43.75 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 -1.62 2.49 -0.04 -0.67 -0.14 -1.13 -4.99 119.74 113.63 1uez s LYS 65 Ca 0.00 1.30 -0.02 0.00 -1.36 0.00 0.00 55.97 55.89 1uez s LYS 65 Cb 0.00 -1.92 -0.04 0.00 -1.68 0.00 0.00 37.83 34.19 1uez s LYS 65 CO 0.00 -1.48 0.08 -1.54 -0.76 0.00 0.00 175.35 171.65 1uez s SER 66 N -2.94 5.75 -0.30 2.83 1.04 -1.26 -0.78 113.70 118.04 1uez s SER 66 Ca 0.64 0.21 -0.03 0.00 0.48 0.00 0.00 55.95 57.26 1uez s SER 66 Cb -0.19 -1.70 0.04 0.00 0.10 0.00 0.00 66.02 64.27 1uez s SER 66 CO 0.49 0.32 2.68 0.18 0.98 0.00 0.00 173.24 177.88 1uez n LEU 67 N 1.50 6.17 -4.55 2.42 4.77 -1.07 -4.89 117.00 121.34 1uez n LEU 67 Ca -0.15 -3.59 -0.17 0.00 -0.03 0.00 0.00 56.01 52.08 1uez n LEU 67 Cb 0.53 -1.21 -0.09 0.00 -2.33 0.00 0.00 43.42 40.32 1uez n LEU 67 CO 0.35 1.54 1.43 0.00 -1.33 0.00 0.00 177.39 179.38 1uez n ALA 68 N 1.08 0.49 -3.19 -1.18 0.00 -1.26 -3.68 120.51 112.77 1uez n ALA 68 Ca 0.39 -1.26 -0.08 0.00 0.00 0.00 0.00 53.44 52.50 1uez n ALA 68 Cb 0.62 -3.13 0.01 0.00 0.00 0.00 0.00 19.45 16.95 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 8.32 -0.97 -4.06 0.00 1.74 -1.26 -5.00 116.66 115.43 1uez n ARG 69 Ca 0.50 1.14 -0.12 0.00 -0.77 0.00 0.00 57.85 58.59 1uez n ARG 69 Cb 0.39 -1.76 -0.11 0.00 -1.02 0.00 0.00 32.46 29.95 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 -1.20 0.50 0.66 1.55 -7.23 -1.24 -4.74 120.40 108.70 1uez s VAL 70 Ca 0.08 -1.10 -0.17 0.00 -1.81 0.00 0.00 61.98 58.97 1uez s VAL 70 Cb -0.01 -0.62 -0.01 0.00 0.56 0.00 0.00 36.38 36.29 1uez s VAL 70 CO 0.27 -0.42 1.12 0.35 -0.31 0.00 0.00 175.10 176.11 1uez n THR 71 N 1.41 4.03 -0.16 5.32 -2.24 -1.26 -0.50 114.28 120.88 1uez n THR 71 Ca -0.22 -0.46 0.28 0.00 -2.27 0.00 0.00 64.05 61.37 1uez n THR 71 Cb 0.55 -1.29 0.72 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.27 0.00 -0.25 4.78 2.76 -1.89 1.01 115.15 121.83 1uez h HIS 72 Ca -0.49 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 57.54 1uez h HIS 72 Cb 1.35 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.30 1uez h HIS 72 CO 0.40 0.00 -0.42 0.00 -1.30 0.00 0.00 177.93 176.61 1uez h ALA 73 N 1.54 0.80 0.49 5.26 0.00 -1.94 -1.86 119.26 123.55 1uez h ALA 73 Ca 0.41 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1uez h ALA 73 Cb 1.67 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1uez h ALA 73 CO -0.00 0.65 -0.23 0.93 0.00 0.00 0.00 179.25 180.59 1uez h GLU 74 N 0.50 -0.63 -0.42 0.00 4.39 0.72 0.14 114.58 119.27 1uez h GLU 74 Ca 0.04 0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.87 1uez h GLU 74 Cb 0.93 0.14 -0.09 0.00 -0.10 0.00 0.00 28.75 29.64 1uez h GLU 74 CO 0.08 -0.33 -0.17 0.00 -1.16 0.00 0.00 179.01 177.43 1uez h ALA 75 N -0.65 0.17 0.55 3.43 0.00 -1.32 1.44 119.26 122.87 1uez h ALA 75 Ca -0.07 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1uez h ALA 75 Cb 0.60 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1uez h ALA 75 CO 0.11 -0.52 -0.44 0.28 0.00 0.00 0.00 179.25 178.67 1uez h VAL 76 N -0.08 0.00 -0.09 0.00 2.07 -1.32 1.48 116.25 118.31 1uez h VAL 76 Ca 0.21 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.75 1uez h VAL 76 Cb 0.40 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1uez h VAL 76 CO -0.48 0.00 0.24 0.11 0.02 0.00 0.00 177.57 177.46 1uez h LYS 77 N -0.97 0.00 0.01 1.57 1.57 -0.07 0.73 116.57 119.43 1uez h LYS 77 Ca -0.07 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.45 1uez h LYS 77 Cb 0.81 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.08 1uez h LYS 77 CO 0.00 0.00 -1.36 0.00 -0.57 0.00 0.00 179.45 177.52 1uez h ALA 78 N 1.60 0.52 0.27 3.86 0.00 0.40 -3.35 119.26 122.57 1uez h ALA 78 Ca 0.04 -1.17 -0.01 0.00 0.00 0.00 0.00 54.91 53.77 1uez h ALA 78 Cb 0.52 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1uez h ALA 78 CO -0.00 1.38 -0.13 -0.07 0.00 0.00 0.00 179.25 180.43 1uez h LEU 79 N 0.01 -0.31-10.42 0.00 3.38 0.83 -3.45 115.31 105.35 1uez h LEU 79 Ca -0.15 -0.21 -0.49 0.00 0.09 0.00 0.00 57.88 57.11 1uez h LEU 79 Cb 1.90 0.08 0.10 0.00 0.09 0.00 0.00 40.66 42.83 1uez h LEU 79 CO 0.11 0.09 0.36 -0.54 0.09 0.00 0.00 178.44 178.55 1uez s LYS 80 N -4.42 2.37 0.00 1.13 1.02 -0.33 -4.92 119.74 114.59 1uez s LYS 80 Ca -0.14 0.62 0.00 0.00 0.02 0.00 0.00 55.97 56.47 1uez s LYS 80 Cb 0.02 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.38 1uez s LYS 80 CO 0.53 -1.41 0.00 0.41 -0.92 0.00 0.00 175.35 173.96 1uez n GLY 81 N -2.33 -0.81 1.92 -3.33 0.00 -1.26 -4.84 105.19 94.54 1uez n GLY 81 Ca 0.07 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.78 -7.82 -3.18 1.61 2.88 -1.26 -4.95 113.62 100.12 1uez n SER 82 Ca 0.00 1.30 -0.12 0.00 -1.33 0.00 0.00 58.87 58.72 1uez n SER 82 Cb 0.00 -4.31 0.12 0.00 -0.75 0.00 0.00 64.21 59.27 1uez n SER 82 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1uez n LYS 83 N 1.49 -2.23 -3.34 -1.46 2.85 -1.26 -4.39 118.16 109.82 1uez n LYS 83 Ca 0.00 -0.58 -0.21 0.00 -1.05 0.00 0.00 58.31 56.47 1uez n LYS 83 Cb 0.00 -0.88 0.02 0.00 -0.65 0.00 0.00 35.03 33.52 1uez n LYS 83 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1uez n LYS 84 N -2.70 -1.21 -3.10 -1.58 4.81 -1.26 -4.84 118.16 108.27 1uez n LYS 84 Ca 0.05 1.16 -0.44 0.00 -0.87 0.00 0.00 58.31 58.22 1uez n LYS 84 Cb 0.24 -1.67 -0.06 0.00 0.02 0.00 0.00 35.03 33.56 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 -1.79 4.82 -0.44 3.14 2.96 -1.26 -4.87 118.68 121.25 1uez s LEU 85 Ca 0.20 -0.82 -0.18 0.00 -0.22 0.00 0.00 54.13 53.12 1uez s LEU 85 Cb -0.02 -2.51 0.03 0.00 0.50 0.00 0.00 46.19 44.19 1uez s LEU 85 CO 0.48 -0.95 0.47 -0.69 -1.32 0.00 0.00 176.35 174.34 1uez s VAL 86 N 2.85 5.05 -0.22 1.68 1.01 -1.26 -3.30 120.40 126.22 1uez s VAL 86 Ca 0.18 -0.38 -0.25 0.00 0.00 0.00 0.00 61.98 61.53 1uez s VAL 86 Cb -0.18 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 1uez s VAL 86 CO 0.13 -0.49 0.84 -0.76 0.00 0.00 0.00 175.10 174.82 1uez s LEU 87 N 2.21 4.11 -0.47 3.92 2.01 0.54 -0.15 118.68 130.85 1uez s LEU 87 Ca 0.13 1.09 -0.17 0.00 0.01 0.00 0.00 54.13 55.19 1uez s LEU 87 Cb -0.18 -3.22 0.05 0.00 0.01 0.00 0.00 46.19 42.86 1uez s LEU 87 CO 0.13 -0.49 0.46 -0.44 1.01 0.00 0.00 176.35 177.03 1uez s SER 88 N 1.27 6.18 0.02 2.29 0.01 -0.66 -0.05 113.70 122.76 1uez s SER 88 Ca 0.36 -1.03 0.08 0.00 1.31 0.00 0.00 55.95 56.68 1uez s SER 88 Cb -0.16 -2.22 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 1uez s SER 88 CO 0.09 -0.69 -0.25 0.68 0.41 0.00 0.00 173.24 173.48 1uez s VAL 89 N 2.04 1.98 -0.22 3.43 -7.23 -1.02 0.36 120.40 119.73 1uez s VAL 89 Ca 0.09 -1.22 -0.17 0.00 -1.81 0.00 0.00 61.98 58.87 1uez s VAL 89 Cb -0.21 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 1uez s VAL 89 CO 0.10 0.41 0.47 -0.47 -0.31 0.00 0.00 175.10 175.30 1uez s TYR 90 N -0.71 3.33 0.03 2.82 5.04 -1.14 -0.25 117.35 126.48 1uez s TYR 90 Ca 0.10 0.66 -0.00 0.00 -2.44 0.00 0.00 57.07 55.39 1uez s TYR 90 Cb -0.10 -2.63 -0.04 0.00 0.35 0.00 0.00 41.96 39.54 1uez s TYR 90 CO 0.01 -0.13 0.16 0.45 -1.34 0.00 0.00 175.55 174.69 1uez s SER 91 N 1.27 6.09 0.26 4.32 0.15 -0.77 -4.48 113.70 120.54 1uez s SER 91 Ca 0.21 0.22 0.06 0.00 0.70 0.00 0.00 55.95 57.13 1uez s SER 91 Cb -0.15 -1.82 -0.06 0.00 -1.71 0.00 0.00 66.02 62.28 1uez s SER 91 CO 0.09 0.21 -0.04 0.00 1.20 0.00 0.00 173.24 174.70 1uez s ALA 92 N -1.38 2.16 -0.44 5.45 0.00 -1.26 -3.47 121.76 122.81 1uez s ALA 92 Ca 0.30 -1.85 -0.27 0.00 0.00 0.00 0.00 51.96 50.14 1uez s ALA 92 Cb -0.13 0.27 -0.08 0.00 0.00 0.00 0.00 23.12 23.19 1uez s ALA 92 CO 0.22 -0.12 2.38 0.41 0.00 0.00 0.00 175.76 178.64 1uez n GLY 93 N -0.52 0.37 3.68 0.00 0.00 -1.26 -4.84 105.19 102.62 1uez n GLY 93 Ca -0.05 0.73 -0.55 0.00 0.00 0.00 0.00 46.02 46.14 1uez n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uez n ARG 94 N 8.88 1.28 -0.13 1.61 3.00 -1.26 -4.81 116.66 125.23 1uez n ARG 94 Ca 0.37 0.47 0.04 0.00 -0.01 0.00 0.00 57.85 58.72 1uez n ARG 94 Cb 0.48 -2.16 0.35 0.00 0.00 0.00 0.00 32.46 31.12 1uez n ARG 94 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 1uez h ILE 95 N 4.83 1.10 0.00 0.55 2.10 -2.07 -3.44 117.51 120.58 1uez h ILE 95 Ca -0.47 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.21 1uez h ILE 95 Cb 1.32 0.26 0.00 0.00 -1.09 0.00 0.00 36.82 37.31 1uez h ILE 95 CO 0.92 0.14 0.00 -0.24 -1.08 0.00 0.00 178.15 177.89 1uez n SER 96 N -4.46 0.00 -4.90 2.19 2.88 -1.26 -5.18 113.62 102.89 1uez n SER 96 Ca 0.07 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.39 1uez n SER 96 Cb 0.12 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.54 1uez n SER 96 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uez s GLY 97 N 0.00 1.38 0.20 0.46 0.00 -1.26 -5.08 107.32 103.02 1uez s GLY 97 Ca 0.00 -1.27 -0.30 0.00 0.00 0.00 0.00 44.72 43.16 1uez s GLY 97 CO 0.00 -1.29 1.11 2.56 0.00 0.00 0.00 173.10 175.48 1uez s PRO 98 N -3.76 4.60 -0.17 2.90 0.04 -1.26 -5.01 135.00 132.33 1uez s PRO 98 Ca 0.33 1.75 -0.23 0.00 0.04 0.00 0.00 61.00 62.90 1uez s PRO 98 Cb -0.09 -3.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 1uez s PRO 98 CO 0.27 0.10 0.73 0.45 0.04 0.00 0.00 177.00 178.59 1uez s SER 99 N -0.28 6.84 -0.10 6.66 0.15 -1.26 -5.05 113.70 120.65 1uez s SER 99 Ca 0.48 1.02 -0.01 0.00 0.70 0.00 0.00 55.95 58.14 1uez s SER 99 Cb -0.30 -2.40 -0.03 0.00 -1.71 0.00 0.00 66.02 61.57 1uez s SER 99 CO 0.37 -0.32 -0.05 -0.44 1.20 0.00 0.00 173.24 173.99 1uez s SER 100 N 1.15 4.75 0.00 5.45 0.01 -1.26 -5.37 113.70 118.43 1uez s SER 100 Ca 0.34 -0.05 0.28 0.00 1.31 0.00 0.00 55.95 57.83 1uez s SER 100 Cb -0.16 -1.45 1.01 0.00 0.21 0.00 0.00 66.02 65.62 1uez s SER 100 CO 0.12 0.29 1.72 0.61 0.41 0.00 0.00 173.24 176.39