#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ett s HIS 2 N 0.00 2.76 0.00 1.61 0.00 -1.26 -4.78 115.29 113.62 2ett s HIS 2 Ca 0.00 0.54 0.08 0.00 -3.00 0.00 0.00 55.06 52.67 2ett s HIS 2 Cb 0.00 -4.38 0.13 0.00 -4.00 0.00 0.00 32.58 24.33 2ett s HIS 2 CO 0.00 -1.35 1.01 -2.39 -1.00 0.00 0.00 174.74 171.01 2ett n HIS 3 N 7.92 0.00 -1.76 0.38 -0.00 -1.26 -4.96 115.22 115.53 2ett n HIS 3 Ca 0.10 -0.18 -0.42 0.00 -0.00 0.00 0.00 57.72 57.22 2ett n HIS 3 Cb 0.49 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.99 30.44 2ett n HIS 3 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ett n HIS 4 N 0.15 3.42 -3.69 -1.40 -0.00 -1.26 -4.78 115.22 107.65 2ett n HIS 4 Ca 0.01 -2.75 -0.14 0.00 -0.00 0.00 0.00 57.72 54.84 2ett n HIS 4 Cb 0.82 -2.44 -0.09 0.00 -0.00 0.00 0.00 29.99 28.28 2ett n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ett s HIS 5 N 3.81 -0.45 -0.09 4.41 5.65 -1.26 -5.15 115.29 122.20 2ett s HIS 5 Ca 0.50 0.99 -0.00 0.00 0.25 0.00 0.00 55.06 56.80 2ett s HIS 5 Cb 0.12 0.19 0.02 0.00 -1.18 0.00 0.00 32.58 31.74 2ett s HIS 5 CO -0.03 -0.35 -0.06 -3.38 -0.65 0.00 0.00 174.74 170.27 2ett s HIS 6 N -0.40 1.22 0.35 3.88 0.00 -1.26 -5.10 115.29 113.98 2ett s HIS 6 Ca -0.05 -0.54 0.00 0.00 -3.00 0.00 0.00 55.06 51.47 2ett s HIS 6 Cb -0.03 -1.07 0.00 0.00 -4.00 0.00 0.00 32.58 27.48 2ett s HIS 6 CO 0.03 -0.42 0.00 0.72 -1.00 0.00 0.00 174.74 174.07 2ett n HIS 7 N 4.82 -3.40 0.01 0.38 -0.00 -1.26 -4.98 115.22 110.79 2ett n HIS 7 Ca -0.13 1.72 0.00 0.00 -0.00 0.00 0.00 57.72 59.31 2ett n HIS 7 Cb 0.50 -3.09 0.00 0.00 -0.00 0.00 0.00 29.99 27.41 2ett n HIS 7 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2ett n LEU 8 N -4.06 0.01 -4.29 2.41 4.77 -1.26 -5.06 117.00 109.52 2ett n LEU 8 Ca -0.00 0.03 -0.35 0.00 -0.03 0.00 0.00 56.01 55.66 2ett n LEU 8 Cb 0.62 0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 41.58 2ett n LEU 8 CO 0.01 -0.42 -0.39 -1.83 -1.33 0.00 0.00 177.39 173.43 2ett s GLU 9 N -2.00 3.28 -0.02 3.23 4.04 -1.26 -5.07 118.70 120.90 2ett s GLU 9 Ca 0.00 -0.69 0.02 0.00 0.04 0.00 0.00 54.97 54.34 2ett s GLU 9 Cb 0.00 -2.99 0.01 0.00 0.02 0.00 0.00 34.13 31.16 2ett s GLU 9 CO 0.00 -0.23 -0.06 -0.51 -1.84 0.00 0.00 175.26 172.62 2ett s LEU 10 N 1.45 1.74 0.03 1.83 2.01 -1.26 -1.42 118.68 123.05 2ett s LEU 10 Ca 0.05 -0.14 0.00 0.00 0.01 0.00 0.00 54.13 54.06 2ett s LEU 10 Cb -0.14 -0.42 -0.02 0.00 0.01 0.00 0.00 46.19 45.61 2ett s LEU 10 CO -0.04 0.03 -0.03 -1.61 1.01 0.00 0.00 176.35 175.71 2ett s GLU 11 N 0.27 0.38 -0.06 1.70 2.02 -0.24 -4.97 118.70 117.80 2ett s GLU 11 Ca -0.03 -0.71 -0.05 0.00 0.02 0.00 0.00 54.97 54.20 2ett s GLU 11 Cb -0.08 0.08 0.02 0.00 0.10 0.00 0.00 34.13 34.25 2ett s GLU 11 CO 0.00 -0.05 0.15 0.14 0.02 0.00 0.00 175.26 175.52 2ett s VAL 12 N -1.81 -0.01 -0.22 2.63 -7.23 -1.26 0.32 120.40 112.83 2ett s VAL 12 Ca -0.12 0.04 -0.27 0.00 -1.81 0.00 0.00 61.98 59.81 2ett s VAL 12 Cb -0.07 -0.22 0.12 0.00 0.56 0.00 0.00 36.38 36.76 2ett s VAL 12 CO -0.02 0.02 0.99 -1.38 -0.31 0.00 0.00 175.10 174.39 2ett s HIS 13 N 0.31 -0.45 -0.55 2.82 -3.43 -0.85 -4.95 115.29 108.19 2ett s HIS 13 Ca -0.02 0.98 -0.19 0.00 -0.80 0.00 0.00 55.06 55.03 2ett s HIS 13 Cb -0.03 0.40 0.08 0.00 -1.43 0.00 0.00 32.58 31.60 2ett s HIS 13 CO -0.01 -0.30 0.65 0.42 -2.00 0.00 0.00 174.74 173.50 2ett s ILE 14 N -0.36 4.87 0.34 -5.38 1.01 -1.26 -1.08 121.20 119.34 2ett s ILE 14 Ca 0.00 -0.78 0.11 0.00 0.00 0.00 0.00 60.65 59.98 2ett s ILE 14 Cb -0.03 -4.39 0.07 0.00 0.01 0.00 0.00 42.46 38.12 2ett s ILE 14 CO -0.02 -0.96 1.78 1.55 0.00 0.00 0.00 174.94 177.29 2ett h PRO 15 N 9.08 0.08 -2.14 2.79 0.13 -1.95 -3.47 132.00 136.53 2ett h PRO 15 Ca -0.29 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 2ett h PRO 15 Cb 1.09 -0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.04 2ett h PRO 15 CO 1.03 0.46 0.24 -1.54 -0.23 0.00 0.00 178.00 177.96 2ett s SER 16 N -6.91 -0.61 -0.07 1.44 1.04 -1.26 -5.08 113.70 102.25 2ett s SER 16 Ca -0.03 0.54 0.03 0.00 0.48 0.00 0.00 55.95 56.97 2ett s SER 16 Cb 0.14 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.79 2ett s SER 16 CO 0.74 -0.65 -0.16 -0.69 0.98 0.00 0.00 173.24 173.46 2ett s VAL 17 N -1.68 1.44 0.12 5.02 1.01 -1.26 -1.66 120.40 123.38 2ett s VAL 17 Ca -0.08 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 2ett s VAL 17 Cb -0.00 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.12 2ett s VAL 17 CO 0.05 0.42 0.32 -0.83 0.00 0.00 0.00 175.10 175.06 2ett s GLY 18 N 0.41 -0.07 -0.14 4.51 0.00 -0.33 -4.93 107.32 106.78 2ett s GLY 18 Ca -0.13 -0.33 -0.05 0.00 0.00 0.00 0.00 44.72 44.22 2ett s GLY 18 CO 0.05 -0.53 3.15 -1.55 0.00 0.00 0.00 173.10 174.22 2ett n PRO 19 N -0.17 2.00 0.08 2.90 -0.04 -1.26 0.43 135.00 138.93 2ett n PRO 19 Ca -0.15 -1.29 -0.04 0.00 -0.04 0.00 0.00 63.50 61.98 2ett n PRO 19 Cb 0.63 -1.92 0.16 0.00 -0.04 0.00 0.00 33.50 32.33 2ett n PRO 19 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2ett h GLU 20 N 2.71 0.26 -7.37 0.54 4.39 -1.79 -3.43 114.58 109.89 2ett h GLU 20 Ca 0.23 -0.15 -0.51 0.00 0.34 0.00 0.00 59.36 59.27 2ett h GLU 20 Cb 1.22 0.01 0.08 0.00 -0.10 0.00 0.00 28.75 29.96 2ett h GLU 20 CO 0.41 0.72 0.39 0.00 -1.16 0.00 0.00 179.01 179.37 2ett s ALA 21 N -3.93 2.86 -0.08 3.43 0.00 -0.51 -5.06 121.76 118.46 2ett s ALA 21 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2ett s ALA 21 Cb 0.12 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 20.15 2ett s ALA 21 CO 0.79 -1.01 -0.07 -1.83 0.00 0.00 0.00 175.76 173.64 2ett s GLU 22 N -5.15 1.29 -0.32 0.00 -1.05 -1.26 -4.71 118.70 107.50 2ett s GLU 22 Ca 0.57 -0.21 -0.01 0.00 -0.15 0.00 0.00 54.97 55.16 2ett s GLU 22 Cb -0.12 -1.29 0.00 0.00 -0.44 0.00 0.00 34.13 32.28 2ett s GLU 22 CO 0.54 -0.15 0.05 0.41 0.95 0.00 0.00 175.26 177.06 2ett n GLY 23 N 4.48 -4.05 0.74 -3.83 0.00 -1.26 -5.04 105.19 96.22 2ett n GLY 23 Ca -0.17 0.54 -0.06 0.00 0.00 0.00 0.00 46.02 46.33 2ett n GLY 23 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ett n PRO 24 N 0.62 -0.21 -1.40 1.61 -0.04 -1.26 -5.09 135.00 129.23 2ett n PRO 24 Ca 0.01 -0.40 -0.26 0.00 -0.04 0.00 0.00 63.50 62.81 2ett n PRO 24 Cb 0.04 -0.26 0.19 0.00 -0.04 0.00 0.00 33.50 33.44 2ett n PRO 24 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2ett n ARG 25 N -1.53 -1.76 -1.53 0.54 0.63 -1.26 -4.85 116.66 106.89 2ett n ARG 25 Ca 0.03 -1.71 -0.37 0.00 -0.92 0.00 0.00 57.85 54.88 2ett n ARG 25 Cb 0.11 -1.29 -0.07 0.00 0.45 0.00 0.00 32.46 31.66 2ett n ARG 25 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2ett n GLN 26 N -3.82 0.66 -5.19 -0.14 7.27 -1.26 -4.91 117.38 109.99 2ett n GLN 26 Ca 0.14 -0.01 -0.31 0.00 0.07 0.00 0.00 57.00 56.88 2ett n GLN 26 Cb 0.51 -2.75 -0.17 0.00 2.41 0.00 0.00 30.24 30.25 2ett n GLN 26 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2ett s SER 27 N 11.04 2.99 0.00 1.69 0.01 -1.26 -4.97 113.70 123.20 2ett s SER 27 Ca 1.12 -0.53 0.31 0.00 1.31 0.00 0.00 55.95 58.16 2ett s SER 27 Cb -0.56 -1.22 1.71 0.00 0.21 0.00 0.00 66.02 66.16 2ett s SER 27 CO 0.34 0.17 2.12 -0.81 0.41 0.00 0.00 173.24 175.47 2ett n PRO 28 N 3.38 1.14 -0.02 12.44 -0.04 -1.26 -3.95 135.00 146.69 2ett n PRO 28 Ca -0.19 -0.20 -0.04 0.00 -0.04 0.00 0.00 63.50 63.03 2ett n PRO 28 Cb 0.53 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 2ett n PRO 28 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2ett n GLU 29 N -0.75 0.25 -2.00 0.54 2.13 -1.26 -5.10 120.64 114.44 2ett n GLU 29 Ca 0.23 0.10 -0.02 0.00 0.66 0.00 0.00 57.16 58.13 2ett n GLU 29 Cb 0.16 -0.93 0.00 0.00 0.27 0.00 0.00 31.44 30.94 2ett n GLU 29 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2ett n LYS 30 N -3.94 -0.71 -3.81 5.31 5.02 -1.25 -5.04 118.16 113.73 2ett n LYS 30 Ca -0.07 1.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.86 2ett n LYS 30 Cb 0.25 -2.98 -0.13 0.00 -0.02 0.00 0.00 35.03 32.15 2ett n LYS 30 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2ett s SER 31 N -1.83 4.88 0.00 4.39 1.04 -1.26 -4.87 113.70 116.05 2ett s SER 31 Ca 0.06 -0.66 0.28 0.00 0.48 0.00 0.00 55.95 56.11 2ett s SER 31 Cb -0.02 -1.83 1.10 0.00 0.10 0.00 0.00 66.02 65.38 2ett s SER 31 CO 0.27 -0.15 1.77 0.00 0.98 0.00 0.00 173.24 176.11 2ett n HIS 32 N 4.83 0.02 -2.34 5.02 1.44 -1.26 -4.69 115.22 118.24 2ett n HIS 32 Ca -0.15 -0.01 -0.43 0.00 -2.01 0.00 0.00 57.72 55.12 2ett n HIS 32 Cb 0.48 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.57 2ett n HIS 32 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 2ett s MET 33 N -1.98 4.15 -0.07 -1.40 -1.94 -1.26 -1.43 119.30 115.37 2ett s MET 33 Ca 0.38 1.68 0.04 0.00 -1.71 0.00 0.00 55.69 56.08 2ett s MET 33 Cb 0.21 -3.83 0.00 0.00 2.01 0.00 0.00 34.83 33.22 2ett s MET 33 CO 0.33 -0.83 -0.18 0.54 -0.01 0.00 0.00 175.02 174.87 2ett s VAL 34 N 3.83 1.56 -0.12 -6.03 0.11 0.17 -4.47 120.40 115.45 2ett s VAL 34 Ca 0.59 -0.75 -0.07 0.00 -2.93 0.00 0.00 61.98 58.82 2ett s VAL 34 Cb -0.23 -1.37 -0.04 0.00 -1.53 0.00 0.00 36.38 33.22 2ett s VAL 34 CO 0.19 0.45 0.13 0.72 -3.33 0.00 0.00 175.10 173.25 2ett s PHE 35 N 0.32 3.55 -0.39 1.54 -0.12 -0.19 -1.18 117.98 121.51 2ett s PHE 35 Ca -0.12 0.49 -0.15 0.00 -0.05 0.00 0.00 56.93 57.10 2ett s PHE 35 Cb -0.15 -1.93 0.01 0.00 -0.63 0.00 0.00 43.02 40.32 2ett s PHE 35 CO 0.05 0.70 0.30 1.03 -0.05 0.00 0.00 175.22 177.24 2ett s ARG 36 N -0.97 3.15 -0.47 1.99 0.52 -0.67 -0.86 118.95 121.65 2ett s ARG 36 Ca 0.15 -0.88 -0.23 0.00 -0.52 0.00 0.00 55.73 54.25 2ett s ARG 36 Cb -0.12 -3.93 0.03 0.00 0.52 0.00 0.00 34.95 31.46 2ett s ARG 36 CO 0.04 -0.66 0.78 0.14 0.02 0.00 0.00 175.30 175.61 2ett s VAL 37 N 1.74 4.65 -0.45 3.52 -7.23 0.18 -3.52 120.40 119.29 2ett s VAL 37 Ca 0.06 0.29 -0.22 0.00 -1.81 0.00 0.00 61.98 60.30 2ett s VAL 37 Cb -0.18 -4.34 0.03 0.00 0.56 0.00 0.00 36.38 32.44 2ett s VAL 37 CO 0.10 -0.78 0.74 -0.70 -0.31 0.00 0.00 175.10 174.16 2ett s GLU 38 N 3.29 3.36 -0.22 4.82 2.12 -0.24 -0.21 118.70 131.61 2ett s GLU 38 Ca 0.28 -0.20 -0.07 0.00 0.36 0.00 0.00 54.97 55.34 2ett s GLU 38 Cb -0.13 -3.94 -0.03 0.00 0.26 0.00 0.00 34.13 30.28 2ett s GLU 38 CO 0.21 -1.09 0.06 0.08 -0.54 0.00 0.00 175.26 173.98 2ett s VAL 39 N 3.14 4.43 -0.22 3.70 1.01 -0.01 -2.00 120.40 130.45 2ett s VAL 39 Ca 0.27 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.05 2ett s VAL 39 Cb -0.13 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 2ett s VAL 39 CO 0.21 0.38 0.02 -0.22 0.00 0.00 0.00 175.10 175.50 2ett s LEU 40 N 1.17 3.28 -0.30 3.92 0.20 0.15 -0.95 118.68 126.14 2ett s LEU 40 Ca 0.04 -0.23 -0.01 0.00 0.69 0.00 0.00 54.13 54.63 2ett s LEU 40 Cb -0.14 -1.85 0.10 0.00 -0.43 0.00 0.00 46.19 43.86 2ett s LEU 40 CO 0.03 0.02 0.09 0.00 -0.29 0.00 0.00 176.35 176.20 2ett n SER 42 N 4.88 -7.66 0.00 0.00 7.64 -0.51 -3.84 113.62 114.13 2ett n SER 42 Ca -0.03 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.81 2ett n SER 42 Cb 0.42 -4.60 0.00 0.00 -1.01 0.00 0.00 64.21 59.03 2ett n SER 42 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ett n GLY 43 N 0.47 0.95 3.71 0.23 0.00 -1.26 -4.89 105.19 104.40 2ett n GLY 43 Ca 0.02 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2ett n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ett s ARG 44 N 0.00 4.43 -0.08 1.61 0.52 -1.25 -5.00 118.95 119.18 2ett s ARG 44 Ca 0.00 1.75 0.04 0.00 -0.52 0.00 0.00 55.73 57.01 2ett s ARG 44 Cb 0.00 -3.37 -0.00 0.00 0.52 0.00 0.00 34.95 32.09 2ett s ARG 44 CO 0.00 -0.27 -0.22 -0.98 0.02 0.00 0.00 175.30 173.85 2ett s ARG 45 N 1.19 2.58 -0.05 3.54 3.03 -1.26 -0.66 118.95 127.31 2ett s ARG 45 Ca 0.58 -0.79 -0.00 0.00 2.03 0.00 0.00 55.73 57.55 2ett s ARG 45 Cb -0.29 -2.05 0.03 0.00 -1.03 0.00 0.00 34.95 31.61 2ett s ARG 45 CO 0.28 0.22 -0.01 -3.38 -1.13 0.00 0.00 175.30 171.29 2ett s HIS 46 N 0.21 0.56 -0.47 5.89 -3.43 -0.13 -3.07 115.29 114.86 2ett s HIS 46 Ca -0.12 -0.11 -0.26 0.00 -0.80 0.00 0.00 55.06 53.77 2ett s HIS 46 Cb -0.16 -0.63 0.03 0.00 -1.43 0.00 0.00 32.58 30.39 2ett s HIS 46 CO 0.06 -0.22 0.94 0.95 -2.00 0.00 0.00 174.74 174.47 2ett s THR 47 N 1.40 4.45 -0.46 -5.38 -4.23 -1.26 -0.83 115.64 109.32 2ett s THR 47 Ca -0.04 0.76 -0.17 0.00 -1.18 0.00 0.00 61.69 61.06 2ett s THR 47 Cb -0.13 -4.45 0.05 0.00 1.34 0.00 0.00 72.50 69.31 2ett s THR 47 CO -0.03 -0.86 0.46 -0.69 -0.54 0.00 0.00 174.62 172.96 2ett s VAL 48 N 3.82 5.10 -0.36 2.29 1.01 0.71 -4.80 120.40 128.17 2ett s VAL 48 Ca 0.38 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 2ett s VAL 48 Cb -0.10 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.16 2ett s VAL 48 CO 0.27 -0.58 0.89 -2.16 0.00 0.00 0.00 175.10 173.52 2ett s PRO 49 N 2.04 3.84 0.06 2.72 0.05 -1.26 -0.65 135.00 141.81 2ett s PRO 49 Ca 0.09 0.55 0.03 0.00 0.05 0.00 0.00 61.00 61.72 2ett s PRO 49 Cb -0.21 -3.79 -0.03 0.00 0.05 0.00 0.00 34.50 30.52 2ett s PRO 49 CO 0.10 -0.91 -0.09 1.03 0.05 0.00 0.00 177.00 177.19 2ett s ARG 50 N 3.37 0.64 0.86 4.56 1.81 -0.04 -4.91 118.95 125.24 2ett s ARG 50 Ca 0.37 -0.91 -0.08 0.00 -1.72 0.00 0.00 55.73 53.38 2ett s ARG 50 Cb -0.12 -0.37 0.18 0.00 -0.45 0.00 0.00 34.95 34.18 2ett s ARG 50 CO 0.18 0.06 1.17 -0.98 -0.68 0.00 0.00 175.30 175.05 2ett s ARG 51 N -2.06 1.03 0.36 3.54 1.70 -1.26 -1.02 118.95 121.24 2ett s ARG 51 Ca -0.04 -0.85 0.06 0.00 -0.47 0.00 0.00 55.73 54.43 2ett s ARG 51 Cb -0.07 -2.09 0.74 0.00 -0.57 0.00 0.00 34.95 32.96 2ett s ARG 51 CO -0.00 -2.01 1.94 -0.92 -1.08 0.00 0.00 175.30 173.22 2ett h TYR 52 N -1.13 0.80 -0.25 5.89 5.03 -1.93 -2.59 116.97 122.79 2ett h TYR 52 Ca -0.39 0.02 -0.13 0.00 2.58 0.00 0.00 58.73 60.80 2ett h TYR 52 Cb 1.24 -0.26 -0.00 0.00 1.55 0.00 0.00 36.73 39.26 2ett h TYR 52 CO -0.79 0.40 -0.36 1.03 -1.32 0.00 0.00 178.16 177.12 2ett h SER 53 N 0.77 0.75 -0.52 -2.11 0.87 -1.96 -2.56 113.55 108.78 2ett h SER 53 Ca 0.35 -0.51 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 2ett h SER 53 Cb 0.35 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2ett h SER 53 CO -0.13 1.12 0.27 -0.33 -0.53 0.00 0.00 176.83 177.23 2ett h GLU 54 N 0.41 0.74 -0.60 2.24 3.07 -1.84 0.96 114.58 119.56 2ett h GLU 54 Ca 0.03 -0.10 -0.03 0.00 -0.50 0.00 0.00 59.36 58.76 2ett h GLU 54 Cb 0.95 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.69 2ett h GLU 54 CO 0.08 0.59 0.26 0.35 -1.40 0.00 0.00 179.01 178.89 2ett h PHE 55 N 0.70 0.86 -0.81 4.33 3.57 -1.55 -1.00 116.94 123.04 2ett h PHE 55 Ca 0.18 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 2ett h PHE 55 Cb 0.08 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.51 2ett h PHE 55 CO -0.01 0.65 0.36 1.25 -2.23 0.00 0.00 178.31 178.34 2ett h HIS 56 N 0.86 1.19 0.15 0.41 2.76 -0.92 -1.81 115.15 117.79 2ett h HIS 56 Ca 0.21 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 2ett h HIS 56 Cb 0.14 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 28.73 2ett h HIS 56 CO 0.01 0.87 -0.07 0.00 -1.30 0.00 0.00 177.93 177.44 2ett h ALA 57 N 1.23 -0.20 -0.51 5.26 0.00 0.24 -0.90 119.26 124.38 2ett h ALA 57 Ca 0.28 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2ett h ALA 57 Cb 0.16 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2ett h ALA 57 CO -0.03 -0.43 -0.10 1.37 0.00 0.00 0.00 179.25 180.06 2ett h LEU 58 N -0.56 0.95 -0.99 0.00 -0.00 -1.24 -2.39 115.31 111.08 2ett h LEU 58 Ca -0.02 -0.30 0.02 0.00 -0.00 0.00 0.00 57.88 57.58 2ett h LEU 58 Cb 0.43 -0.26 -0.05 0.00 -0.00 0.00 0.00 40.66 40.78 2ett h LEU 58 CO 0.03 1.06 0.66 -0.74 -0.00 0.00 0.00 178.44 179.45 2ett h HIS 59 N 0.85 1.24 0.00 0.17 2.76 -1.31 0.19 115.15 119.05 2ett h HIS 59 Ca 0.14 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.26 2ett h HIS 59 Cb 0.64 -0.42 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 2ett h HIS 59 CO 0.04 0.76 -0.35 1.57 -1.30 0.00 0.00 177.93 178.66 2ett h LYS 60 N 1.32 0.00 0.00 5.26 2.10 -0.92 0.70 116.57 125.03 2ett h LYS 60 Ca 0.37 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.82 2ett h LYS 60 Cb -0.12 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.23 2ett h LYS 60 CO -0.09 0.35 -0.79 -0.09 -2.00 0.00 0.00 179.45 176.83 2ett h ARG 61 N 0.00 0.53 0.00 0.07 2.43 -0.56 -3.21 114.38 113.64 2ett h ARG 61 Ca -0.00 -0.58 0.00 0.00 -0.81 0.00 0.00 59.98 58.59 2ett h ARG 61 Cb 0.89 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2ett h ARG 61 CO 0.05 1.20 0.00 0.44 -1.51 0.00 0.00 179.97 180.15 2ett n ILE 62 N -4.06 0.11 0.18 1.20 -5.35 0.50 -2.20 119.36 109.73 2ett n ILE 62 Ca -0.11 0.03 0.05 0.00 -0.27 0.00 0.00 62.75 62.45 2ett n ILE 62 Cb 0.76 -0.56 0.26 0.00 -1.74 0.00 0.00 39.64 38.36 2ett n ILE 62 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 2ett h LYS 63 N 0.00 0.00 0.00 6.28 2.10 -0.86 0.35 116.57 124.44 2ett h LYS 63 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2ett h LYS 63 Cb 0.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 2ett h LYS 63 CO 0.00 0.41 -0.27 1.17 -2.00 0.00 0.00 179.45 178.75 2ett n LYS 64 N -3.44 0.16 -0.03 0.07 4.81 -0.94 -4.55 118.16 114.26 2ett n LYS 64 Ca 0.00 0.09 -0.03 0.00 -0.87 0.00 0.00 58.31 57.51 2ett n LYS 64 Cb 0.57 -1.65 -0.01 0.00 0.02 0.00 0.00 35.03 33.96 2ett n LYS 64 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2ett n LEU 65 N -1.91 0.57 0.00 3.14 -0.00 -0.49 -5.10 117.00 113.21 2ett n LEU 65 Ca 0.05 0.10 -0.11 0.00 -0.00 0.00 0.00 56.01 56.05 2ett n LEU 65 Cb 0.40 -0.57 -0.03 0.00 -0.00 0.00 0.00 43.42 43.22 2ett n LEU 65 CO 0.32 -0.43 -0.08 0.00 -0.00 0.00 0.00 177.39 177.20 2ett n TYR 66 N -3.08 0.28 -2.59 1.96 0.18 0.11 -5.06 117.16 108.96 2ett n TYR 66 Ca -0.04 -0.96 -0.43 0.00 1.88 0.00 0.00 57.90 58.35 2ett n TYR 66 Cb 0.15 -0.07 -0.02 0.00 -0.38 0.00 0.00 39.34 39.02 2ett n TYR 66 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2ett s LYS 67 N -2.64 3.71 0.02 -3.48 1.02 -1.26 -4.57 119.74 112.53 2ett s LYS 67 Ca 0.03 0.55 0.01 0.00 0.02 0.00 0.00 55.97 56.59 2ett s LYS 67 Cb 0.00 -3.92 -0.02 0.00 -0.52 0.00 0.00 37.83 33.38 2ett s LYS 67 CO 0.02 -1.41 -0.04 0.54 -0.92 0.00 0.00 175.35 173.54 2ett s VAL 68 N 4.51 0.28 0.12 3.17 0.11 -1.26 -4.84 120.40 122.48 2ett s VAL 68 Ca 0.48 -0.71 -0.02 0.00 -2.93 0.00 0.00 61.98 58.80 2ett s VAL 68 Cb -0.07 -0.34 0.03 0.00 -1.53 0.00 0.00 36.38 34.47 2ett s VAL 68 CO 0.32 -0.28 0.10 -0.81 -3.33 0.00 0.00 175.10 171.09 2ett n PRO 69 N 2.01 -1.56 -0.59 1.54 -0.04 -1.26 -5.01 135.00 130.09 2ett n PRO 69 Ca -0.20 -0.16 -0.30 0.00 -0.04 0.00 0.00 63.50 62.80 2ett n PRO 69 Cb 0.56 -0.16 0.21 0.00 -0.04 0.00 0.00 33.50 34.07 2ett n PRO 69 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ett n ASP 70 N -3.21 -1.19 -4.85 3.54 9.92 -1.26 -5.02 116.55 114.49 2ett n ASP 70 Ca 0.01 0.07 -0.31 0.00 -0.53 0.00 0.00 54.79 54.03 2ett n ASP 70 Cb 0.06 -1.29 -0.05 0.00 -0.64 0.00 0.00 41.12 39.19 2ett n ASP 70 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2ett s PHE 71 N -2.46 3.37 0.33 1.24 -0.12 -1.26 -5.03 117.98 114.05 2ett s PHE 71 Ca 0.66 0.20 -0.27 0.00 -0.05 0.00 0.00 56.93 57.46 2ett s PHE 71 Cb -0.23 -1.72 -0.13 0.00 -0.63 0.00 0.00 43.02 40.32 2ett s PHE 71 CO 0.63 0.57 1.09 -2.30 -0.05 0.00 0.00 175.22 175.16 2ett n PRO 72 N 0.58 1.59 -3.20 1.99 -0.02 -1.26 -4.94 135.00 129.74 2ett n PRO 72 Ca -0.08 0.56 -0.39 0.00 -2.02 0.00 0.00 63.50 61.57 2ett n PRO 72 Cb 0.52 -2.02 -0.05 0.00 -0.02 0.00 0.00 33.50 31.92 2ett n PRO 72 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2ett s SER 73 N -0.51 6.89 0.41 2.55 0.15 -1.26 -4.94 113.70 117.00 2ett s SER 73 Ca 0.58 1.06 0.22 0.00 0.70 0.00 0.00 55.95 58.52 2ett s SER 73 Cb -0.64 -2.35 0.80 0.00 -1.71 0.00 0.00 66.02 62.12 2ett s SER 73 CO 0.60 0.02 1.78 0.50 1.20 0.00 0.00 173.24 177.34 2ett h LYS 74 N 6.24 0.00 -5.42 5.44 3.64 -2.01 -3.41 116.57 121.05 2ett h LYS 74 Ca -0.43 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.30 2ett h LYS 74 Cb 1.19 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.86 2ett h LYS 74 CO 0.73 0.28 0.19 1.03 -2.27 0.00 0.00 179.45 179.41 2ett s ARG 75 N -3.61 3.27 0.16 1.90 1.81 -1.26 -4.98 118.95 116.24 2ett s ARG 75 Ca 0.01 -0.43 -0.02 0.00 -1.72 0.00 0.00 55.73 53.56 2ett s ARG 75 Cb 0.10 -3.99 -0.04 0.00 -0.45 0.00 0.00 34.95 30.58 2ett s ARG 75 CO 0.66 -1.13 0.12 -0.51 -0.68 0.00 0.00 175.30 173.77 2ett s LEU 76 N 2.98 1.41 0.97 2.53 1.43 -1.26 -5.16 118.68 121.58 2ett s LEU 76 Ca 0.23 -1.22 -0.11 0.00 -1.03 0.00 0.00 54.13 51.99 2ett s LEU 76 Cb -0.15 0.49 0.17 0.00 0.03 0.00 0.00 46.19 46.73 2ett s LEU 76 CO 0.18 -0.80 1.09 -2.16 0.23 0.00 0.00 176.35 174.89 2ett s PRO 77 N -4.08 0.61 0.00 1.29 0.04 -1.26 -4.85 135.00 126.76 2ett s PRO 77 Ca 0.28 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2ett s PRO 77 Cb 0.06 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.89 2ett s PRO 77 CO 0.05 -2.74 0.05 -1.71 0.04 0.00 0.00 177.00 172.70 2ett n ASN 78 N -4.25 0.08 0.00 6.66 4.05 -1.26 -4.77 115.26 115.77 2ett n ASN 78 Ca 0.07 -0.18 0.00 0.00 0.45 0.00 0.00 54.58 54.92 2ett n ASN 78 Cb 0.54 -0.04 0.00 0.00 1.23 0.00 0.00 39.78 41.51 2ett n ASN 78 CO 0.00 0.00 0.00 1.87 -3.05 0.00 0.00 177.26 176.08 2ett n TRP 79 N 0.39 0.00 -0.39 1.20 -0.00 -1.26 -4.73 117.44 112.65 2ett n TRP 79 Ca 0.00 0.00 0.31 0.00 -0.00 0.00 0.00 57.50 57.81 2ett n TRP 79 Cb 0.02 0.00 0.58 0.00 -0.00 0.00 0.00 31.31 31.91 2ett n TRP 79 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2ett h ARG 80 N 0.00 0.21 0.00 5.87 3.08 -2.03 0.65 114.38 122.15 2ett h ARG 80 Ca 0.00 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 2ett h ARG 80 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2ett h ARG 80 CO 0.00 0.14 -0.22 1.15 -1.07 0.00 0.00 179.97 179.97 2ett h THR 81 N 0.21 0.75 -1.49 2.04 2.02 -1.95 -3.45 112.91 111.04 2ett h THR 81 Ca 0.73 -0.91 -0.61 0.00 0.77 0.00 0.00 66.41 66.39 2ett h THR 81 Cb 2.11 1.56 -0.13 0.00 -1.74 0.00 0.00 68.15 69.95 2ett h THR 81 CO -0.40 0.22 -0.54 -0.13 0.37 0.00 0.00 175.52 175.04 2ett s ARG 82 N -4.03 2.02 0.42 6.66 3.00 0.22 -5.16 118.95 122.08 2ett s ARG 82 Ca -0.02 -2.24 0.06 0.00 0.00 0.00 0.00 55.73 53.53 2ett s ARG 82 Cb 0.13 -1.20 -0.07 0.00 0.00 0.00 0.00 34.95 33.81 2ett s ARG 82 CO 0.64 -0.33 0.04 0.20 0.00 0.00 0.00 175.30 175.84 2ett s GLY 83 N -3.73 2.54 0.40 -3.53 0.00 -1.26 -4.98 107.32 96.76 2ett s GLY 83 Ca 0.19 -2.04 0.25 0.00 0.00 0.00 0.00 44.72 43.12 2ett s GLY 83 CO 0.10 -2.08 1.76 1.41 0.00 0.00 0.00 173.10 174.29 2ett h LEU 84 N 1.66 0.00 -0.46 0.66 -0.00 -2.00 -2.76 115.31 112.41 2ett h LEU 84 Ca -0.44 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.53 2ett h LEU 84 Cb 1.25 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.84 2ett h LEU 84 CO 0.78 0.00 0.04 -0.33 -0.00 0.00 0.00 178.44 178.93 2ett h GLU 85 N 0.00 0.15 -0.15 1.13 5.08 -1.99 0.61 114.58 119.41 2ett h GLU 85 Ca 0.00 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2ett h GLU 85 Cb 0.09 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2ett h GLU 85 CO 0.00 0.10 -0.12 0.37 -1.00 0.00 0.00 179.01 178.36 2ett h GLN 86 N 0.15 0.34 0.31 2.33 5.75 -1.92 -2.51 115.11 119.57 2ett h GLN 86 Ca 0.23 -0.17 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 2ett h GLN 86 Cb 0.32 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.87 2ett h GLN 86 CO -0.35 0.70 -0.15 -0.09 -2.65 0.00 0.00 178.83 176.30 2ett h ARG 87 N -0.02 -0.40 -0.70 1.69 2.43 -1.60 -0.29 114.38 115.49 2ett h ARG 87 Ca 0.03 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.33 2ett h ARG 87 Cb 0.62 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 30.19 2ett h ARG 87 CO 0.03 -0.09 0.31 -0.09 -1.51 0.00 0.00 179.97 178.62 2ett h ARG 88 N -0.76 0.50 -0.26 0.20 1.12 -1.01 -1.85 114.38 112.32 2ett h ARG 88 Ca -0.04 -0.03 -0.14 0.00 -1.11 0.00 0.00 59.98 58.66 2ett h ARG 88 Cb 0.50 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.34 2ett h ARG 88 CO 0.07 0.33 -0.41 0.37 -3.11 0.00 0.00 179.97 177.22 2ett h GLN 89 N 0.51 0.62 0.17 0.20 4.15 -1.33 -0.24 115.11 119.18 2ett h GLN 89 Ca 0.36 -0.32 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 2ett h GLN 89 Cb 0.44 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.14 2ett h GLN 89 CO -0.31 0.92 -0.08 0.78 -1.93 0.00 0.00 178.83 178.20 2ett h GLY 90 N 1.02 -0.24 1.65 2.39 0.00 -0.54 -2.05 103.07 105.30 2ett h GLY 90 Ca 0.04 0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.36 2ett h GLY 90 CO 0.08 -0.09 -0.28 1.41 0.00 0.00 0.00 176.54 177.67 2ett h LEU 91 N -0.49 0.41 -1.16 3.11 -0.00 -1.33 -2.16 115.31 113.70 2ett h LEU 91 Ca -0.02 -0.14 -0.05 0.00 -0.00 0.00 0.00 57.88 57.67 2ett h LEU 91 Cb 0.38 -0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 40.90 2ett h LEU 91 CO 0.04 0.68 0.07 -0.08 -0.00 0.00 0.00 178.44 179.15 2ett h GLU 92 N 0.36 0.65 -0.75 1.13 4.81 -1.00 -0.22 114.58 119.56 2ett h GLU 92 Ca 0.05 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 2ett h GLU 92 Cb 0.68 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 2ett h GLU 92 CO 0.05 0.63 0.25 0.00 -0.73 0.00 0.00 179.01 179.21 2ett h ALA 93 N 1.45 1.03 -0.41 2.92 0.00 -0.71 0.30 119.26 123.83 2ett h ALA 93 Ca 0.14 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2ett h ALA 93 Cb 0.30 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2ett h ALA 93 CO 0.00 0.66 -0.17 1.88 0.00 0.00 0.00 179.25 181.63 2ett h TYR 94 N 1.10 0.96 -0.35 0.00 0.05 -1.08 -0.19 116.97 117.46 2ett h TYR 94 Ca 0.24 -0.23 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 2ett h TYR 94 Cb 0.28 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 2ett h TYR 94 CO 0.02 0.99 0.01 0.82 -1.05 0.00 0.00 178.16 178.95 2ett h ILE 95 N 0.66 1.25 -0.65 -2.88 1.08 -0.76 -2.72 117.51 113.49 2ett h ILE 95 Ca 0.10 -0.95 0.01 0.00 -0.39 0.00 0.00 64.86 63.63 2ett h ILE 95 Cb 0.72 1.18 -0.03 0.00 -3.07 0.00 0.00 36.82 35.62 2ett h ILE 95 CO 0.05 0.31 0.43 -0.61 -0.69 0.00 0.00 178.15 177.65 2ett h GLN 96 N 0.42 0.86 -0.36 2.37 4.15 -0.39 -2.62 115.11 119.55 2ett h GLN 96 Ca 0.10 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.52 2ett h GLN 96 Cb 0.43 -0.19 -0.05 0.00 0.21 0.00 0.00 27.48 27.88 2ett h GLN 96 CO 0.02 0.57 0.08 0.78 -1.93 0.00 0.00 178.83 178.34 2ett h GLY 97 N 0.88 0.42 1.88 2.39 0.00 -0.84 0.19 103.07 107.99 2ett h GLY 97 Ca 0.24 -0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.44 2ett h GLY 97 CO -0.05 -0.02 -0.43 0.16 0.00 0.00 0.00 176.54 176.20 2ett h ILE 98 N 0.20 1.32 -0.01 2.60 3.07 -1.28 0.20 117.51 123.60 2ett h ILE 98 Ca 0.17 -1.53 -0.20 0.00 1.55 0.00 0.00 64.86 64.85 2ett h ILE 98 Cb 0.19 1.75 -0.01 0.00 -0.27 0.00 0.00 36.82 38.48 2ett h ILE 98 CO -0.22 0.45 -0.86 0.25 -1.05 0.00 0.00 178.15 176.72 2ett h LEU 99 N 0.11 0.38 -0.28 0.16 6.46 -1.06 -3.08 115.31 117.99 2ett h LEU 99 Ca 0.01 -0.29 -0.16 0.00 -0.12 0.00 0.00 57.88 57.32 2ett h LEU 99 Cb 0.81 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.62 2ett h LEU 99 CO 0.06 1.07 -0.44 0.22 -0.62 0.00 0.00 178.44 178.74 2ett h TYR 100 N 0.18 0.99 0.68 1.25 3.20 -0.18 -3.32 116.97 119.76 2ett h TYR 100 Ca -0.05 -0.34 -0.03 0.00 3.14 0.00 0.00 58.73 61.45 2ett h TYR 100 Cb 1.48 -0.19 0.01 0.00 1.54 0.00 0.00 36.73 39.56 2ett h TYR 100 CO 0.04 1.14 -0.32 -0.07 -1.64 0.00 0.00 178.16 177.30 2ett h LEU 101 N 0.56 -0.77 0.00 2.82 3.38 -0.62 -3.48 115.31 117.20 2ett h LEU 101 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2ett h LEU 101 Cb 1.04 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2ett h LEU 101 CO 0.10 -0.45 0.00 -3.20 0.09 0.00 0.00 178.44 174.98 2ett n ASN 102 N -5.42 -1.18 0.31 -0.43 5.15 -1.17 -4.99 115.26 107.52 2ett n ASN 102 Ca -0.13 0.36 0.19 0.00 -0.60 0.00 0.00 54.58 54.39 2ett n ASN 102 Cb 0.38 1.34 1.02 0.00 -0.53 0.00 0.00 39.78 42.00 2ett n ASN 102 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 2ett h GLN 103 N 0.00 0.00 0.00 1.20 1.08 -1.81 -3.46 115.11 112.12 2ett h GLN 103 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2ett h GLN 103 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2ett h GLN 103 CO 0.00 0.01 0.00 0.39 -0.95 0.00 0.00 178.83 178.28 2ett n GLU 104 N -3.44 0.00 -3.90 1.46 1.02 -1.20 -4.15 120.64 110.44 2ett n GLU 104 Ca -0.03 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.81 2ett n GLU 104 Cb 0.11 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.37 2ett n GLU 104 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2ett s VAL 105 N 0.00 1.49 0.18 2.62 0.11 -1.26 -3.85 120.40 119.69 2ett s VAL 105 Ca 0.00 -1.48 -0.33 0.00 -2.93 0.00 0.00 61.98 57.24 2ett s VAL 105 Cb 0.00 -1.93 -0.13 0.00 -1.53 0.00 0.00 36.38 32.79 2ett s VAL 105 CO 0.00 -0.35 1.66 -2.65 -3.33 0.00 0.00 175.10 170.42 2ett n PRO 106 N 4.64 2.45 0.31 1.54 -0.02 -1.26 -4.87 135.00 137.79 2ett n PRO 106 Ca -0.06 0.88 0.18 0.00 -2.02 0.00 0.00 63.50 62.48 2ett n PRO 106 Cb 0.43 -2.69 0.98 0.00 -0.02 0.00 0.00 33.50 32.20 2ett n PRO 106 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2ett h LYS 107 N 6.46 0.00 0.00 -0.52 3.11 -1.99 -2.38 116.57 121.25 2ett h LYS 107 Ca -0.44 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.37 2ett h LYS 107 Cb 1.23 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.46 2ett h LYS 107 CO 0.92 0.02 -0.13 1.49 -2.81 0.00 0.00 179.45 178.95 2ett h GLU 108 N 0.00 0.00 -0.42 1.90 4.81 -1.98 -0.58 114.58 118.31 2ett h GLU 108 Ca -0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2ett h GLU 108 Cb 0.09 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2ett h GLU 108 CO 0.00 0.13 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.29 2ett h LEU 109 N 0.00 0.69 -0.68 1.64 -0.00 -1.81 0.17 115.31 115.31 2ett h LEU 109 Ca -0.00 -0.18 -0.13 0.00 -0.00 0.00 0.00 57.88 57.57 2ett h LEU 109 Cb 0.36 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 2ett h LEU 109 CO 0.02 0.79 -0.42 -0.07 -0.00 0.00 0.00 178.44 178.75 2ett h LEU 110 N 0.66 0.56 -0.49 1.67 4.07 -1.31 -0.85 115.31 119.63 2ett h LEU 110 Ca 0.12 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.83 2ett h LEU 110 Cb 0.48 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.07 2ett h LEU 110 CO 0.03 0.92 0.00 -0.08 -1.08 0.00 0.00 178.44 178.22 2ett h GLU 111 N 0.43 0.00 0.00 1.13 4.81 -0.91 0.15 114.58 120.19 2ett h GLU 111 Ca 0.03 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.12 2ett h GLU 111 Cb 0.92 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 2ett h GLU 111 CO 0.08 0.00 -1.01 0.34 -0.73 0.00 0.00 179.01 177.69 2ett n PHE 112 N -3.04 0.94 1.17 0.92 7.35 0.55 -4.21 117.46 121.14 2ett n PHE 112 Ca 0.03 0.41 0.12 0.00 -0.76 0.00 0.00 57.45 57.25 2ett n PHE 112 Cb 0.45 -0.96 0.23 0.00 0.35 0.00 0.00 39.48 39.55 2ett n PHE 112 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2ett n LEU 113 N -4.50 1.71 -2.76 -2.13 4.32 -0.42 -4.94 117.00 108.29 2ett n LEU 113 Ca -0.23 -0.57 -0.09 0.00 -0.02 0.00 0.00 56.01 55.10 2ett n LEU 113 Cb 0.52 -0.04 0.04 0.00 -1.62 0.00 0.00 43.42 42.32 2ett n LEU 113 CO 0.15 0.31 0.07 0.54 -1.22 0.00 0.00 177.39 177.24 2ett n ARG 114 N -0.04 -1.51 -3.42 3.23 1.74 -0.85 -5.01 116.66 110.80 2ett n ARG 114 Ca 0.12 0.76 -0.37 0.00 -0.77 0.00 0.00 57.85 57.59 2ett n ARG 114 Cb 0.42 -4.67 -0.07 0.00 -1.02 0.00 0.00 32.46 27.12 2ett n ARG 114 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2ett s LEU 115 N -4.49 4.23 0.41 0.55 1.43 -0.02 -5.01 118.68 115.79 2ett s LEU 115 Ca 0.27 0.62 0.02 0.00 -1.03 0.00 0.00 54.13 54.01 2ett s LEU 115 Cb -0.04 -2.52 -0.01 0.00 0.03 0.00 0.00 46.19 43.65 2ett s LEU 115 CO 0.54 0.02 0.61 -0.13 0.23 0.00 0.00 176.35 177.63 2ett s ARG 116 N 0.73 3.11 -0.47 1.70 0.52 -1.26 -4.56 118.95 118.71 2ett s ARG 116 Ca 0.21 -0.60 -0.27 0.00 -0.52 0.00 0.00 55.73 54.54 2ett s ARG 116 Cb -0.14 -2.63 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 2ett s ARG 116 CO 0.07 -0.16 2.02 -1.01 0.02 0.00 0.00 175.30 176.25 2ett s HIS 117 N -2.44 1.49 -0.23 -0.53 3.76 -1.26 -4.90 115.29 111.18 2ett s HIS 117 Ca 0.47 0.93 -0.28 0.00 -0.15 0.00 0.00 55.06 56.02 2ett s HIS 117 Cb -0.10 -3.95 -0.04 0.00 1.11 0.00 0.00 32.58 29.60 2ett s HIS 117 CO 0.36 -2.71 1.99 -0.06 -0.85 0.00 0.00 174.74 173.47 2ett s PHE 118 N 9.26 1.50 -0.58 1.40 0.08 -1.26 -4.85 117.98 123.53 2ett s PHE 118 Ca 0.82 0.47 0.24 0.00 0.12 0.00 0.00 56.93 58.58 2ett s PHE 118 Cb -0.18 -4.03 0.44 0.00 -0.57 0.00 0.00 43.02 38.68 2ett s PHE 118 CO 0.27 -3.74 1.48 -1.00 -0.10 0.00 0.00 175.22 172.13 2ett h PRO 119 N 13.38 0.00 -5.67 0.24 0.13 -2.04 -3.46 132.00 134.58 2ett h PRO 119 Ca -0.39 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.15 2ett h PRO 119 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 2ett h PRO 119 CO 0.99 0.00 -0.63 0.95 -0.23 0.00 0.00 178.00 179.07 2ett s THR 120 N -3.18 1.92 -0.23 1.56 -4.23 -1.26 -5.11 115.64 105.11 2ett s THR 120 Ca 0.07 -2.08 -0.23 0.00 -1.18 0.00 0.00 61.69 58.27 2ett s THR 120 Cb 0.11 -2.80 -0.01 0.00 1.34 0.00 0.00 72.50 71.14 2ett s THR 120 CO 0.68 -0.10 0.77 -0.62 -0.54 0.00 0.00 174.62 174.82 2ett s ASP 121 N -3.62 6.78 0.00 3.99 2.15 -1.26 -4.93 116.67 119.78 2ett s ASP 121 Ca 0.34 0.97 0.26 0.00 0.43 0.00 0.00 52.55 54.54 2ett s ASP 121 Cb 0.07 -2.41 0.63 0.00 -0.30 0.00 0.00 42.92 40.91 2ett s ASP 121 CO 0.17 -0.46 1.49 -0.81 -0.17 0.00 0.00 175.17 175.39 2ett n PRO 122 N 5.80 0.33 -3.63 4.34 -0.04 -1.26 -4.80 135.00 135.74 2ett n PRO 122 Ca 0.04 -0.19 -0.27 0.00 -0.04 0.00 0.00 63.50 63.04 2ett n PRO 122 Cb 0.48 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.28 2ett n PRO 122 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2ett s LYS 123 N -2.80 0.23 -0.28 0.54 2.20 -1.17 -5.03 119.74 113.42 2ett s LYS 123 Ca 0.16 -0.27 0.03 0.00 -0.36 0.00 0.00 55.97 55.54 2ett s LYS 123 Cb 0.18 -1.78 0.07 0.00 -1.51 0.00 0.00 37.83 34.79 2ett s LYS 123 CO 0.62 -0.74 -0.05 0.00 -0.36 0.00 0.00 175.35 174.83 2ett s ALA 124 N 2.05 2.61 -0.13 3.13 0.00 -1.26 -4.66 121.76 123.51 2ett s ALA 124 Ca 0.03 -1.98 -0.27 0.00 0.00 0.00 0.00 51.96 49.74 2ett s ALA 124 Cb -0.16 -1.70 0.07 0.00 0.00 0.00 0.00 23.12 21.33 2ett s ALA 124 CO -0.14 -1.36 0.65 -1.54 0.00 0.00 0.00 175.76 173.37 2ett s SER 125 N 1.07 -0.64 -0.09 0.00 1.04 -1.26 -5.16 113.70 108.66 2ett s SER 125 Ca -0.02 0.92 0.02 0.00 0.48 0.00 0.00 55.95 57.35 2ett s SER 125 Cb -0.20 0.85 0.02 0.00 0.10 0.00 0.00 66.02 66.79 2ett s SER 125 CO -0.06 -0.45 -0.12 0.21 0.98 0.00 0.00 173.24 173.79 2ett s ASN 126 N -0.60 2.04 -0.64 7.02 3.84 -1.26 -5.08 114.94 120.26 2ett s ASN 126 Ca -0.07 -0.34 -0.19 0.00 0.21 0.00 0.00 52.86 52.48 2ett s ASN 126 Cb -0.02 -0.91 0.11 0.00 -0.55 0.00 0.00 41.25 39.88 2ett s ASN 126 CO 0.06 0.00 0.76 0.86 -2.79 0.00 0.00 177.10 175.99 2ett s TRP 127 N 0.92 3.04 0.00 0.43 -0.11 -1.26 -5.35 118.94 116.61 2ett s TRP 127 Ca -0.09 -1.04 0.00 0.00 1.22 0.00 0.00 56.10 56.19 2ett s TRP 127 Cb -0.15 -4.04 0.00 0.00 -1.50 0.00 0.00 33.47 27.78 2ett s TRP 127 CO 0.00 -1.31 0.00 0.41 -4.62 0.00 0.00 176.95 171.43