#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 3.12 -0.41 1.61 0.00 -1.26 -4.90 115.29 113.46 2ett s HIS 2 Ca 0.00 -1.05 0.04 0.00 -3.00 0.00 0.00 55.06 51.05 2ett s HIS 2 Cb 0.00 -3.81 0.17 0.00 -4.00 0.00 0.00 32.58 24.94 2ett s HIS 2 CO 0.00 -1.12 0.34 -1.58 -1.00 0.00 0.00 174.74 171.38 2ett s HIS 3 N 2.17 0.84 0.17 0.38 5.65 -1.26 -5.11 115.29 118.14 2ett s HIS 3 Ca 0.08 -2.10 -0.20 0.00 0.25 0.00 0.00 55.06 53.10 2ett s HIS 3 Cb -0.26 -0.83 0.05 0.00 -1.18 0.00 0.00 32.58 30.36 2ett s HIS 3 CO 0.06 -0.86 0.55 -3.38 -0.65 0.00 0.00 174.74 170.45 2ett s HIS 4 N 0.28 -0.31 -0.30 3.88 0.00 -1.26 -5.13 115.29 112.45 2ett s HIS 4 Ca 0.30 0.01 0.04 0.00 -3.00 0.00 0.00 55.06 52.42 2ett s HIS 4 Cb -0.00 0.46 0.20 0.00 -4.00 0.00 0.00 32.58 29.23 2ett s HIS 4 CO -0.16 -0.87 0.66 -3.38 -1.00 0.00 0.00 174.74 169.98 2ett s HIS 5 N -3.81 -1.66 -1.28 0.38 -0.00 -1.26 -5.06 115.29 102.59 2ett s HIS 5 Ca 0.05 0.91 -0.14 0.00 -0.00 0.00 0.00 55.06 55.88 2ett s HIS 5 Cb -0.01 0.29 0.13 0.00 -0.00 0.00 0.00 32.58 32.99 2ett s HIS 5 CO -0.08 -0.98 1.73 0.72 -0.00 0.00 0.00 174.74 176.13 2ett n HIS 6 N 5.28 4.16 0.00 0.38 -0.00 -1.26 -4.43 115.22 119.36 2ett n HIS 6 Ca 0.06 -3.04 0.00 0.00 -0.00 0.00 0.00 57.72 54.74 2ett n HIS 6 Cb 0.55 -2.28 0.00 0.00 -0.00 0.00 0.00 29.99 28.26 2ett n HIS 6 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2ett n HIS 7 N 5.83 0.00 0.00 4.41 -0.00 -1.26 -5.12 115.22 119.08 2ett n HIS 7 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.14 2ett n HIS 7 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.40 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 0.00 0.00 -2.95 0.27 4.32 -1.26 -4.89 117.00 112.49 2ett n LEU 8 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.87 2ett n LEU 8 Cb 0.00 -0.03 0.01 0.00 -1.62 0.00 0.00 43.42 41.78 2ett n LEU 8 CO 0.00 -0.08 -0.05 -0.62 -1.22 0.00 0.00 177.39 175.42 2ett n GLU 9 N -1.41 -2.37 -3.98 3.23 4.71 -1.26 -0.78 120.64 118.79 2ett n GLU 9 Ca 0.00 2.05 -0.30 0.00 -0.01 0.00 0.00 57.16 58.90 2ett n GLU 9 Cb 0.00 -5.01 -0.16 0.00 -1.01 0.00 0.00 31.44 25.26 2ett n GLU 9 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2ett s LEU 10 N -2.49 2.05 -0.15 -4.62 1.43 -1.26 -0.99 118.68 112.66 2ett s LEU 10 Ca 0.25 -0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 52.55 2ett s LEU 10 Cb -0.06 -1.15 0.04 0.00 0.03 0.00 0.00 46.19 45.05 2ett s LEU 10 CO 0.78 -0.14 -0.02 -1.61 0.23 0.00 0.00 176.35 175.58 2ett s GLU 11 N 1.46 1.09 -0.15 1.70 2.02 -0.82 -4.97 118.70 119.02 2ett s GLU 11 Ca 0.00 -0.37 0.01 0.00 0.02 0.00 0.00 54.97 54.62 2ett s GLU 11 Cb -0.16 -1.83 0.00 0.00 0.10 0.00 0.00 34.13 32.25 2ett s GLU 11 CO -0.08 -0.46 -0.17 0.08 0.02 0.00 0.00 175.26 174.65 2ett s VAL 12 N 1.75 2.49 0.01 2.63 1.01 -1.26 0.06 120.40 127.09 2ett s VAL 12 Ca 0.01 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.92 2ett s VAL 12 Cb -0.15 -2.04 0.05 0.00 0.00 0.00 0.00 36.38 34.24 2ett s VAL 12 CO -0.07 0.52 0.55 -1.38 0.00 0.00 0.00 175.10 174.72 2ett s HIS 13 N 0.85 -0.47 -0.53 5.22 -3.43 -0.01 -4.93 115.29 111.99 2ett s HIS 13 Ca -0.05 0.66 -0.10 0.00 -0.80 0.00 0.00 55.06 54.77 2ett s HIS 13 Cb -0.15 0.34 0.14 0.00 -1.43 0.00 0.00 32.58 31.47 2ett s HIS 13 CO -0.01 -0.60 0.43 0.42 -2.00 0.00 0.00 174.74 172.97 2ett s ILE 14 N -1.90 4.48 0.38 -5.38 1.01 -1.26 -0.39 121.20 118.15 2ett s ILE 14 Ca -0.08 -1.92 0.11 0.00 0.00 0.00 0.00 60.65 58.76 2ett s ILE 14 Cb -0.01 -3.91 0.12 0.00 0.01 0.00 0.00 42.46 38.67 2ett s ILE 14 CO 0.03 -0.83 1.87 1.55 0.00 0.00 0.00 174.94 177.56 2ett h PRO 15 N 8.33 0.12 -2.75 2.79 0.13 -1.94 -3.47 132.00 135.21 2ett h PRO 15 Ca -0.18 -0.04 0.07 0.00 -0.87 0.00 0.00 66.00 64.99 2ett h PRO 15 Cb 1.06 -0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.09 2ett h PRO 15 CO 0.87 0.37 0.32 -1.12 -0.23 0.00 0.00 178.00 178.21 2ett s SER 16 N -6.92 -0.36 -0.05 1.44 0.01 -1.26 -5.07 113.70 101.49 2ett s SER 16 Ca -0.04 -0.27 0.02 0.00 1.31 0.00 0.00 55.95 56.97 2ett s SER 16 Cb 0.15 0.58 0.01 0.00 0.21 0.00 0.00 66.02 66.98 2ett s SER 16 CO 0.73 -1.02 -0.09 -0.69 0.41 0.00 0.00 173.24 172.58 2ett s VAL 17 N -3.61 0.85 0.05 3.43 1.01 -1.26 -1.36 120.40 119.51 2ett s VAL 17 Ca 0.07 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.77 2ett s VAL 17 Cb -0.03 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 2ett s VAL 17 CO -0.03 0.28 -0.16 -0.83 0.00 0.00 0.00 175.10 174.36 2ett s GLY 18 N 0.62 0.91 -1.05 4.51 0.00 0.89 -4.92 107.32 108.28 2ett s GLY 18 Ca -0.11 -0.95 -0.18 0.00 0.00 0.00 0.00 44.72 43.49 2ett s GLY 18 CO 0.02 -0.93 1.29 2.56 0.00 0.00 0.00 173.10 176.04 2ett s PRO 19 N -1.35 3.77 -0.00 2.90 0.05 -1.26 0.04 135.00 139.15 2ett s PRO 19 Ca 0.02 -1.97 0.00 0.00 0.05 0.00 0.00 61.00 59.10 2ett s PRO 19 Cb -0.09 -5.04 0.00 0.00 0.05 0.00 0.00 34.50 29.43 2ett s PRO 19 CO 0.02 -1.84 0.68 -0.85 0.05 0.00 0.00 177.00 175.06 2ett n GLU 20 N 6.58 0.10 -3.98 4.56 0.28 -0.98 -4.93 120.64 122.27 2ett n GLU 20 Ca 0.30 -0.71 -0.28 0.00 -0.16 0.00 0.00 57.16 56.31 2ett n GLU 20 Cb 0.47 -0.53 -0.04 0.00 1.43 0.00 0.00 31.44 32.77 2ett n GLU 20 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ett s ALA 21 N -0.06 3.84 -0.11 -1.84 0.00 -0.74 -4.99 121.76 117.84 2ett s ALA 21 Ca 0.00 -1.03 -0.30 0.00 0.00 0.00 0.00 51.96 50.64 2ett s ALA 21 Cb 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 2ett s ALA 21 CO 0.00 0.62 1.35 -1.21 0.00 0.00 0.00 175.76 176.51 2ett s GLU 22 N -2.95 4.24 -0.29 0.00 0.41 -1.26 -4.23 118.70 114.63 2ett s GLU 22 Ca 0.33 1.80 -0.29 0.00 -0.41 0.00 0.00 54.97 56.40 2ett s GLU 22 Cb -0.11 -3.76 0.19 0.00 -1.78 0.00 0.00 34.13 28.67 2ett s GLU 22 CO 0.26 -0.69 1.37 0.20 -0.49 0.00 0.00 175.26 175.91 2ett s GLY 23 N 2.16 0.10 -0.09 -1.39 0.00 -1.26 -4.10 107.32 102.75 2ett s GLY 23 Ca 0.59 2.86 -0.01 0.00 0.00 0.00 0.00 44.72 48.16 2ett s GLY 23 CO 0.20 1.13 -0.03 -0.56 0.00 0.00 0.00 173.10 173.84 2ett h PRO 24 N 2.07 0.00 0.00 2.90 0.13 -1.91 -3.38 132.00 131.81 2ett h PRO 24 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2ett h PRO 24 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ett h PRO 24 CO 0.22 0.00 0.00 2.89 -0.23 0.00 0.00 178.00 180.88 2ett n ARG 25 N -4.34 1.31 -2.60 0.86 1.85 -1.26 -4.84 116.66 107.64 2ett n ARG 25 Ca -0.01 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.43 2ett n ARG 25 Cb 0.04 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.42 2ett n ARG 25 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 2ett s GLN 26 N -0.03 3.29 0.13 2.89 1.03 -1.26 -3.72 119.66 121.99 2ett s GLN 26 Ca 0.00 -0.58 0.11 0.00 0.04 0.00 0.00 55.36 54.93 2ett s GLN 26 Cb 0.00 -4.49 -0.04 0.00 0.03 0.00 0.00 33.01 28.51 2ett s GLN 26 CO 0.00 -2.11 -0.27 -1.12 -2.54 0.00 0.00 175.29 169.25 2ett s SER 27 N 4.02 3.32 0.53 12.60 0.01 -1.12 -4.93 113.70 128.14 2ett s SER 27 Ca 0.36 -0.75 0.32 0.00 1.31 0.00 0.00 55.95 57.18 2ett s SER 27 Cb -0.07 -0.22 1.34 0.00 0.21 0.00 0.00 66.02 67.28 2ett s SER 27 CO 0.08 0.18 1.98 -0.65 0.41 0.00 0.00 173.24 175.23 2ett h PRO 28 N 3.85 0.00 0.03 12.44 0.11 -1.94 -3.20 132.00 143.30 2ett h PRO 28 Ca -0.51 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.37 2ett h PRO 28 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2ett h PRO 28 CO 0.39 0.06 -1.28 1.05 -0.21 0.00 0.00 178.00 178.01 2ett h GLU 29 N 0.00 0.07 -3.57 1.05 4.11 -1.95 -3.36 114.58 110.93 2ett h GLU 29 Ca -0.00 -0.11 -0.53 0.00 0.07 0.00 0.00 59.36 58.79 2ett h GLU 29 Cb 0.52 0.04 -0.40 0.00 0.50 0.00 0.00 28.75 29.42 2ett h GLU 29 CO 0.01 1.05 -0.76 0.15 0.07 0.00 0.00 179.01 179.53 2ett s LYS 30 N -2.39 0.71 -0.12 1.06 1.02 -1.21 -4.87 119.74 113.93 2ett s LYS 30 Ca -0.26 -0.54 -0.01 0.00 0.02 0.00 0.00 55.97 55.17 2ett s LYS 30 Cb 0.05 -2.10 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 2ett s LYS 30 CO 0.64 -0.69 -0.06 0.45 -0.92 0.00 0.00 175.35 174.77 2ett s SER 31 N 1.81 4.62 0.00 2.83 0.15 -1.21 -2.77 113.70 119.13 2ett s SER 31 Ca 0.00 -0.12 0.23 0.00 0.70 0.00 0.00 55.95 56.77 2ett s SER 31 Cb -0.17 -1.52 1.37 0.00 -1.71 0.00 0.00 66.02 63.98 2ett s SER 31 CO -0.11 0.24 1.81 0.00 1.20 0.00 0.00 173.24 176.39 2ett n HIS 32 N 3.02 0.00 -5.22 3.44 1.44 -1.24 -4.19 115.22 112.46 2ett n HIS 32 Ca -0.18 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.23 2ett n HIS 32 Cb 0.53 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.48 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 -2.00 2.14 -0.06 -1.40 -1.94 -1.26 -1.80 119.30 112.97 2ett s MET 33 Ca 0.34 -0.87 0.05 0.00 -1.71 0.00 0.00 55.69 53.50 2ett s MET 33 Cb 0.16 -1.97 -0.01 0.00 2.01 0.00 0.00 34.83 35.02 2ett s MET 33 CO 0.27 0.47 -0.23 0.54 -0.01 0.00 0.00 175.02 176.06 2ett s VAL 34 N -0.43 1.92 0.08 -6.03 0.11 0.11 -4.68 120.40 111.48 2ett s VAL 34 Ca 0.05 -0.98 0.02 0.00 -2.93 0.00 0.00 61.98 58.14 2ett s VAL 34 Cb -0.11 -1.64 -0.04 0.00 -1.53 0.00 0.00 36.38 33.07 2ett s VAL 34 CO 0.01 0.53 0.14 0.72 -3.33 0.00 0.00 175.10 173.17 2ett s PHE 35 N -0.00 3.33 -0.51 1.54 -0.12 -0.40 -0.08 117.98 121.74 2ett s PHE 35 Ca -0.07 0.14 -0.16 0.00 -0.05 0.00 0.00 56.93 56.79 2ett s PHE 35 Cb -0.14 -1.67 0.10 0.00 -0.63 0.00 0.00 43.02 40.68 2ett s PHE 35 CO 0.04 0.55 0.46 1.03 -0.05 0.00 0.00 175.22 177.26 2ett s ARG 36 N -2.50 2.99 -0.40 1.99 1.81 -0.46 -0.22 118.95 122.16 2ett s ARG 36 Ca 0.32 -1.51 -0.23 0.00 -1.72 0.00 0.00 55.73 52.59 2ett s ARG 36 Cb -0.12 -4.22 0.02 0.00 -0.45 0.00 0.00 34.95 30.17 2ett s ARG 36 CO 0.25 -1.20 0.80 0.14 -0.68 0.00 0.00 175.30 174.61 2ett s VAL 37 N 1.69 4.68 -0.34 3.52 -7.23 0.13 -3.53 120.40 119.32 2ett s VAL 37 Ca 0.04 0.77 -0.07 0.00 -1.81 0.00 0.00 61.98 60.91 2ett s VAL 37 Cb -0.27 -4.27 0.04 0.00 0.56 0.00 0.00 36.38 32.45 2ett s VAL 37 CO 0.05 -0.55 0.11 -0.70 -0.31 0.00 0.00 175.10 173.70 2ett s GLU 38 N 3.23 2.62 -0.23 4.82 2.12 0.48 -0.38 118.70 131.35 2ett s GLU 38 Ca 0.32 -1.18 -0.07 0.00 0.36 0.00 0.00 54.97 54.39 2ett s GLU 38 Cb -0.13 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.76 2ett s GLU 38 CO 0.19 -0.67 0.06 0.08 -0.54 0.00 0.00 175.26 174.38 2ett s VAL 39 N 1.41 4.37 -0.19 3.70 1.01 -0.91 -0.83 120.40 128.96 2ett s VAL 39 Ca -0.01 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 2ett s VAL 39 Cb -0.20 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 2ett s VAL 39 CO 0.03 0.37 0.07 -0.22 0.00 0.00 0.00 175.10 175.35 2ett s LEU 40 N 1.32 3.87 -0.07 3.92 0.20 0.11 -1.38 118.68 126.65 2ett s LEU 40 Ca 0.05 0.10 -0.03 0.00 0.69 0.00 0.00 54.13 54.94 2ett s LEU 40 Cb -0.15 -1.98 0.04 0.00 -0.43 0.00 0.00 46.19 43.67 2ett s LEU 40 CO 0.03 0.17 0.16 0.00 -0.29 0.00 0.00 176.35 176.42 2ett n SER 42 N 4.23 -4.92 0.00 0.00 7.64 0.04 -2.44 113.62 118.16 2ett n SER 42 Ca -0.26 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.63 2ett n SER 42 Cb 0.52 -2.46 0.00 0.00 -1.01 0.00 0.00 64.21 61.25 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 -0.45 0.68 3.82 0.23 0.00 -1.25 -4.94 105.19 103.28 2ett n GLY 43 Ca -0.00 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 2.97 0.09 1.61 3.00 -1.02 -5.08 118.95 120.52 2ett s ARG 44 Ca 0.00 -0.87 0.03 0.00 0.00 0.00 0.00 55.73 54.89 2ett s ARG 44 Cb 0.00 -2.67 -0.03 0.00 0.00 0.00 0.00 34.95 32.24 2ett s ARG 44 CO 0.00 0.47 -0.09 -0.98 0.00 0.00 0.00 175.30 174.70 2ett s ARG 45 N -3.25 0.79 -0.07 3.54 1.70 -1.26 -0.17 118.95 120.23 2ett s ARG 45 Ca 0.32 -1.12 0.01 0.00 -0.47 0.00 0.00 55.73 54.47 2ett s ARG 45 Cb -0.10 -0.44 0.02 0.00 -0.57 0.00 0.00 34.95 33.86 2ett s ARG 45 CO 0.24 0.06 -0.10 -3.38 -1.08 0.00 0.00 175.30 171.04 2ett s HIS 46 N -2.47 1.34 -0.33 5.89 -3.43 -0.48 -4.45 115.29 111.36 2ett s HIS 46 Ca 0.04 -0.53 -0.26 0.00 -0.80 0.00 0.00 55.06 53.52 2ett s HIS 46 Cb -0.03 -1.04 0.01 0.00 -1.43 0.00 0.00 32.58 30.09 2ett s HIS 46 CO -0.01 -0.32 0.90 0.99 -2.00 0.00 0.00 174.74 174.30 2ett s THR 47 N 0.98 4.66 -0.35 -5.38 2.01 -1.26 -2.14 115.64 114.16 2ett s THR 47 Ca -0.09 1.31 0.01 0.00 0.31 0.00 0.00 61.69 63.23 2ett s THR 47 Cb -0.15 -4.27 0.09 0.00 0.01 0.00 0.00 72.50 68.18 2ett s THR 47 CO 0.00 -0.40 0.07 -0.69 -0.69 0.00 0.00 174.62 172.91 2ett s VAL 48 N 3.29 2.70 -0.35 3.82 1.01 0.49 -4.93 120.40 126.43 2ett s VAL 48 Ca 0.37 -2.03 -0.29 0.00 0.00 0.00 0.00 61.98 60.04 2ett s VAL 48 Cb -0.13 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.43 2ett s VAL 48 CO 0.15 -0.49 1.27 -2.16 0.00 0.00 0.00 175.10 173.88 2ett s PRO 49 N 1.05 3.83 0.01 2.72 0.04 -1.26 0.18 135.00 141.58 2ett s PRO 49 Ca 0.05 1.05 -0.13 0.00 0.04 0.00 0.00 61.00 62.02 2ett s PRO 49 Cb -0.20 -3.90 0.02 0.00 0.04 0.00 0.00 34.50 30.45 2ett s PRO 49 CO -0.05 -1.23 0.28 0.50 0.04 0.00 0.00 177.00 176.54 2ett s ARG 50 N 4.32 0.71 0.41 4.56 6.06 0.69 -4.93 118.95 130.78 2ett s ARG 50 Ca 0.55 -0.37 0.08 0.00 -2.50 0.00 0.00 55.73 53.48 2ett s ARG 50 Cb -0.14 0.31 0.00 0.00 0.06 0.00 0.00 34.95 35.18 2ett s ARG 50 CO 0.26 -0.21 0.51 -0.98 -2.50 0.00 0.00 175.30 172.38 2ett s ARG 51 N -1.93 2.78 0.59 5.12 1.70 -1.26 -1.28 118.95 124.68 2ett s ARG 51 Ca -0.09 -1.29 0.34 0.00 -0.47 0.00 0.00 55.73 54.22 2ett s ARG 51 Cb -0.03 -2.67 1.89 0.00 -0.57 0.00 0.00 34.95 33.56 2ett s ARG 51 CO 0.00 -0.22 2.22 0.10 -1.08 0.00 0.00 175.30 176.33 2ett h TYR 52 N 0.77 0.00 -0.49 5.89 -0.00 -1.94 -1.30 116.97 119.89 2ett h TYR 52 Ca -0.41 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.30 2ett h TYR 52 Cb 1.27 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.98 2ett h TYR 52 CO 0.43 0.03 0.22 1.03 -0.00 0.00 0.00 178.16 179.88 2ett h SER 53 N 0.00 0.66 -0.16 0.10 0.87 -1.89 0.72 113.55 113.85 2ett h SER 53 Ca -0.00 -0.15 -0.19 0.00 -1.23 0.00 0.00 61.79 60.22 2ett h SER 53 Cb 0.14 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2ett h SER 53 CO 0.00 0.63 -0.64 -0.33 -0.53 0.00 0.00 176.83 175.96 2ett h GLU 54 N 0.65 0.72 -0.66 2.24 3.07 -1.59 -2.63 114.58 116.39 2ett h GLU 54 Ca 0.17 -0.56 0.04 0.00 -0.50 0.00 0.00 59.36 58.51 2ett h GLU 54 Cb 0.15 0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.12 2ett h GLU 54 CO -0.02 1.17 0.39 0.35 -1.40 0.00 0.00 179.01 179.50 2ett h PHE 55 N 0.42 0.72 -0.70 4.33 3.57 -1.25 -1.36 116.94 122.67 2ett h PHE 55 Ca -0.04 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.55 2ett h PHE 55 Cb 1.27 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.74 2ett h PHE 55 CO 0.09 0.38 0.46 1.25 -2.23 0.00 0.00 178.31 178.26 2ett h HIS 56 N 0.74 0.74 0.24 0.41 2.76 -0.73 0.17 115.15 119.49 2ett h HIS 56 Ca 0.28 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.46 2ett h HIS 56 Cb 0.10 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 28.82 2ett h HIS 56 CO -0.06 0.40 -0.11 0.00 -1.30 0.00 0.00 177.93 176.86 2ett h ALA 57 N 1.62 -0.32 -0.34 5.26 0.00 -0.90 -2.00 119.26 122.58 2ett h ALA 57 Ca 0.30 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2ett h ALA 57 Cb 0.22 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2ett h ALA 57 CO -0.09 -0.43 -0.18 1.37 0.00 0.00 0.00 179.25 179.91 2ett h LEU 58 N -0.81 0.62 -0.89 0.00 -0.00 -1.19 -2.14 115.31 110.91 2ett h LEU 58 Ca -0.03 -0.20 0.12 0.00 -0.00 0.00 0.00 57.88 57.76 2ett h LEU 58 Cb 0.51 -0.17 -0.08 0.00 -0.00 0.00 0.00 40.66 40.92 2ett h LEU 58 CO 0.05 0.82 0.51 -0.74 -0.00 0.00 0.00 178.44 179.08 2ett h HIS 59 N 0.56 0.92 0.00 0.17 2.76 -1.03 0.28 115.15 118.82 2ett h HIS 59 Ca 0.09 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.21 2ett h HIS 59 Cb 0.63 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 2ett h HIS 59 CO 0.03 0.34 -0.39 1.57 -1.30 0.00 0.00 177.93 178.17 2ett h LYS 60 N 0.81 0.00 0.01 5.26 2.10 -0.70 -0.93 116.57 123.12 2ett h LYS 60 Ca 0.45 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 59.06 2ett h LYS 60 Cb 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2ett h LYS 60 CO -0.28 0.39 -0.17 -0.09 -2.00 0.00 0.00 179.45 177.31 2ett h ARG 61 N 0.00 0.09 0.00 0.07 1.12 -0.66 -3.31 114.38 111.70 2ett h ARG 61 Ca -0.00 -0.12 0.00 0.00 -1.11 0.00 0.00 59.98 58.75 2ett h ARG 61 Cb 0.91 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.90 2ett h ARG 61 CO 0.05 0.93 0.00 0.44 -3.11 0.00 0.00 179.97 178.28 2ett n ILE 62 N -4.56 0.81 0.16 1.20 -5.35 0.80 -2.36 119.36 110.07 2ett n ILE 62 Ca -0.10 0.20 0.04 0.00 -0.27 0.00 0.00 62.75 62.63 2ett n ILE 62 Cb 0.49 -1.13 0.47 0.00 -1.74 0.00 0.00 39.64 37.73 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 0.17 -0.00 6.28 2.10 -1.25 0.15 116.57 124.02 2ett h LYS 63 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2ett h LYS 63 Cb 0.38 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 2ett h LYS 63 CO 0.00 0.25 -0.29 1.17 -2.00 0.00 0.00 179.45 178.58 2ett n LYS 64 N -4.36 0.32 -0.04 0.07 3.00 -0.99 -4.52 118.16 111.63 2ett n LYS 64 Ca -0.01 -0.16 -0.04 0.00 -0.00 0.00 0.00 58.31 58.10 2ett n LYS 64 Cb 0.20 -1.50 -0.01 0.00 0.00 0.00 0.00 35.03 33.72 2ett n LYS 64 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2ett n LEU 65 N -1.20 0.92 0.00 3.14 -0.00 0.33 -5.07 117.00 115.11 2ett n LEU 65 Ca 0.09 0.18 -0.08 0.00 -0.00 0.00 0.00 56.01 56.20 2ett n LEU 65 Cb 0.33 -0.62 -0.02 0.00 -0.00 0.00 0.00 43.42 43.11 2ett n LEU 65 CO 0.29 -0.40 -0.06 0.00 -0.00 0.00 0.00 177.39 177.23 2ett n TYR 66 N -3.43 0.27 -2.25 1.96 0.18 -0.02 -5.07 117.16 108.80 2ett n TYR 66 Ca -0.06 -0.64 -0.43 0.00 1.88 0.00 0.00 57.90 58.65 2ett n TYR 66 Cb 0.24 -0.07 -0.02 0.00 -0.38 0.00 0.00 39.34 39.10 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 -2.46 3.95 -0.15 -3.48 1.02 -1.26 -4.67 119.74 112.70 2ett s LYS 67 Ca 0.01 1.60 -0.04 0.00 0.02 0.00 0.00 55.97 57.56 2ett s LYS 67 Cb 0.00 -3.93 0.05 0.00 -0.52 0.00 0.00 37.83 33.43 2ett s LYS 67 CO 0.00 -1.08 0.08 0.08 -0.92 0.00 0.00 175.35 173.51 2ett s VAL 68 N 4.52 -0.03 0.00 3.17 1.01 -1.26 -4.77 120.40 123.03 2ett s VAL 68 Ca 0.64 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.54 2ett s VAL 68 Cb -0.23 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.62 2ett s VAL 68 CO 0.25 -0.18 0.00 -0.81 0.00 0.00 0.00 175.10 174.36 2ett n PRO 69 N 5.26 0.54 -1.87 2.72 -0.04 -1.26 -4.99 135.00 135.36 2ett n PRO 69 Ca -0.06 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.99 2ett n PRO 69 Cb 0.49 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.95 2ett n PRO 69 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ett s ASP 70 N -1.00 6.30 0.20 3.54 1.11 -1.26 -5.02 116.67 120.55 2ett s ASP 70 Ca 0.00 2.93 0.08 0.00 0.18 0.00 0.00 52.55 55.75 2ett s ASP 70 Cb 0.00 -2.66 -0.05 0.00 1.07 0.00 0.00 42.92 41.28 2ett s ASP 70 CO 0.00 -0.89 -0.16 0.72 1.18 0.00 0.00 175.17 176.02 2ett s PHE 71 N -1.15 1.81 0.37 4.23 -0.71 -1.26 -5.06 117.98 116.20 2ett s PHE 71 Ca 0.54 -0.51 -0.26 0.00 -1.04 0.00 0.00 56.93 55.66 2ett s PHE 71 Cb -0.44 -0.85 -0.09 0.00 -1.21 0.00 0.00 43.02 40.43 2ett s PHE 71 CO 0.59 0.39 1.17 -1.25 -1.34 0.00 0.00 175.22 174.78 2ett s PRO 72 N -3.39 4.18 0.94 1.99 0.04 -1.26 -5.03 135.00 132.47 2ett s PRO 72 Ca 0.21 1.87 -0.13 0.00 0.04 0.00 0.00 61.00 62.99 2ett s PRO 72 Cb -0.03 -2.79 0.16 0.00 0.04 0.00 0.00 34.50 31.88 2ett s PRO 72 CO 0.08 -0.22 1.16 0.45 0.04 0.00 0.00 177.00 178.51 2ett s SER 73 N -1.03 3.28 0.43 6.66 0.15 -1.26 -4.95 113.70 116.98 2ett s SER 73 Ca 0.54 0.82 0.21 0.00 0.70 0.00 0.00 55.95 58.22 2ett s SER 73 Cb -0.32 -1.27 0.99 0.00 -1.71 0.00 0.00 66.02 63.71 2ett s SER 73 CO 0.40 -2.68 1.89 0.07 1.20 0.00 0.00 173.24 174.12 2ett h LYS 74 N -1.59 0.00 -6.48 5.44 2.10 -2.01 -3.40 116.57 110.64 2ett h LYS 74 Ca -0.49 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 57.59 2ett h LYS 74 Cb 1.31 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.56 2ett h LYS 74 CO 0.56 0.26 0.80 0.50 -2.00 0.00 0.00 179.45 179.58 2ett s ARG 75 N -3.96 3.62 0.19 0.07 3.52 -1.26 -4.42 118.95 116.71 2ett s ARG 75 Ca -0.02 0.36 0.08 0.00 -0.13 0.00 0.00 55.73 56.02 2ett s ARG 75 Cb 0.12 -3.93 -0.04 0.00 -1.56 0.00 0.00 34.95 29.54 2ett s ARG 75 CO 0.65 -1.36 -0.01 -0.51 -0.81 0.00 0.00 175.30 173.26 2ett s LEU 76 N 4.24 3.24 0.99 -0.88 1.43 -1.26 -5.11 118.68 121.33 2ett s LEU 76 Ca 0.43 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 52.92 2ett s LEU 76 Cb -0.08 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.29 2ett s LEU 76 CO 0.29 0.08 0.20 -0.81 0.23 0.00 0.00 176.35 176.34 2ett n PRO 77 N -0.22 -0.51 0.00 1.29 -0.04 -1.26 -4.87 135.00 129.39 2ett n PRO 77 Ca -0.09 -0.12 0.11 0.00 -0.04 0.00 0.00 63.50 63.36 2ett n PRO 77 Cb 0.56 -1.74 0.65 0.00 -0.04 0.00 0.00 33.50 32.93 2ett n PRO 77 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2ett n ASN 78 N -0.93 0.00 0.00 3.54 2.85 -1.26 -4.90 115.26 114.56 2ett n ASN 78 Ca 0.05 -1.16 0.00 0.00 -0.11 0.00 0.00 54.58 53.36 2ett n ASN 78 Cb 0.56 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.58 2ett n ASN 78 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 2ett n TRP 79 N -0.87 0.00 0.19 1.20 7.02 -1.26 -4.67 117.44 119.05 2ett n TRP 79 Ca 0.17 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.73 2ett n TRP 79 Cb 0.08 0.00 0.62 0.00 -2.42 0.00 0.00 31.31 29.58 2ett n TRP 79 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2ett h ARG 80 N 0.00 0.07 -0.34 -0.99 3.08 -1.90 0.63 114.38 114.93 2ett h ARG 80 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2ett h ARG 80 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2ett h ARG 80 CO 0.00 0.05 0.00 -2.37 -1.07 0.00 0.00 179.97 176.58 2ett n THR 81 N -4.51 0.45 0.08 2.04 5.66 -1.26 -4.53 114.28 112.21 2ett n THR 81 Ca -0.01 -0.55 0.00 0.00 -3.05 0.00 0.00 64.05 60.44 2ett n THR 81 Cb 0.15 0.47 0.00 0.00 -1.55 0.00 0.00 70.33 69.40 2ett n THR 81 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2ett n ARG 82 N 0.80 0.00 0.00 1.09 5.12 0.47 -5.14 116.66 119.01 2ett n ARG 82 Ca 0.17 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.09 2ett n ARG 82 Cb 0.42 -0.32 0.00 0.00 -1.16 0.00 0.00 32.46 31.40 2ett n ARG 82 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ett n GLY 83 N 2.77 2.13 0.07 -0.13 0.00 0.19 -4.84 105.19 105.37 2ett n GLY 83 Ca 0.00 -2.17 0.12 0.00 0.00 0.00 0.00 46.02 43.97 2ett n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ett n LEU 84 N 0.00 0.72 -0.08 0.99 7.99 -1.26 -3.75 117.00 121.60 2ett n LEU 84 Ca 0.00 0.32 0.11 0.00 -0.01 0.00 0.00 56.01 56.43 2ett n LEU 84 Cb 0.00 -0.22 0.49 0.00 -0.11 0.00 0.00 43.42 43.57 2ett n LEU 84 CO 0.00 -0.08 1.19 -0.33 -1.51 0.00 0.00 177.39 176.65 2ett h GLU 85 N 0.00 0.43 0.12 3.23 5.08 -1.98 0.14 114.58 121.60 2ett h GLU 85 Ca 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2ett h GLU 85 Cb 0.74 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2ett h GLU 85 CO 0.00 0.28 -0.06 0.37 -1.00 0.00 0.00 179.01 178.60 2ett h GLN 86 N 0.44 -0.16 0.43 2.33 -0.00 -1.89 0.31 115.11 116.56 2ett h GLN 86 Ca 0.27 0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.91 2ett h GLN 86 Cb 0.48 0.04 0.00 0.00 0.00 0.00 0.00 27.48 28.00 2ett h GLN 86 CO -0.08 -0.08 -0.21 -0.09 0.00 0.00 0.00 178.83 178.38 2ett h ARG 87 N -0.20 -0.55 -0.04 1.69 2.43 -1.50 0.78 114.38 116.98 2ett h ARG 87 Ca -0.02 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.23 2ett h ARG 87 Cb 0.15 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 2ett h ARG 87 CO 0.03 -0.34 -0.26 -0.09 -1.51 0.00 0.00 179.97 177.80 2ett h ARG 88 N -0.63 -0.36 -0.26 0.20 1.12 -0.71 -0.54 114.38 113.19 2ett h ARG 88 Ca -0.06 0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 58.79 2ett h ARG 88 Cb 0.47 0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.51 2ett h ARG 88 CO 0.10 -0.24 -0.01 0.37 -3.11 0.00 0.00 179.97 177.07 2ett h GLN 89 N -0.38 0.47 -0.05 0.20 4.15 -0.35 0.13 115.11 119.28 2ett h GLN 89 Ca 0.08 -0.15 0.01 0.00 0.77 0.00 0.00 58.65 59.35 2ett h GLN 89 Cb 0.49 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 2ett h GLN 89 CO -0.26 0.64 -0.00 0.78 -1.93 0.00 0.00 178.83 178.06 2ett h GLY 90 N 0.24 0.04 0.89 2.39 0.00 -0.66 -0.02 103.07 105.96 2ett h GLY 90 Ca 0.07 0.01 -0.13 0.00 0.00 0.00 0.00 47.33 47.28 2ett h GLY 90 CO 0.02 -0.01 -0.39 1.41 0.00 0.00 0.00 176.54 177.57 2ett h LEU 91 N 0.01 0.63 -0.52 3.11 -0.00 -1.10 -2.59 115.31 114.84 2ett h LEU 91 Ca 0.02 -0.57 0.01 0.00 -0.00 0.00 0.00 57.88 57.34 2ett h LEU 91 Cb 0.03 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 40.48 2ett h LEU 91 CO -0.04 1.08 0.34 -0.08 -0.00 0.00 0.00 178.44 179.74 2ett h GLU 92 N 0.20 0.67 -0.30 1.13 4.81 -0.64 0.50 114.58 120.95 2ett h GLU 92 Ca -0.00 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 2ett h GLU 92 Cb 1.00 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 2ett h GLU 92 CO 0.08 0.44 -0.02 0.00 -0.73 0.00 0.00 179.01 178.79 2ett h ALA 93 N 1.20 1.41 0.18 2.92 0.00 -1.04 0.13 119.26 124.06 2ett h ALA 93 Ca 0.20 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 2ett h ALA 93 Cb -0.06 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.62 2ett h ALA 93 CO -0.05 0.41 -1.33 -0.92 0.00 0.00 0.00 179.25 177.36 2ett h TYR 94 N 0.45 0.76 -0.37 0.00 3.20 -0.90 -1.49 116.97 118.63 2ett h TYR 94 Ca 0.10 -0.54 0.02 0.00 3.14 0.00 0.00 58.73 61.44 2ett h TYR 94 Cb 0.32 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 2ett h TYR 94 CO 0.01 1.42 0.21 0.82 -1.64 0.00 0.00 178.16 178.97 2ett h ILE 95 N 0.13 1.03 -0.00 1.81 1.08 0.45 -1.48 117.51 120.52 2ett h ILE 95 Ca -0.19 -0.15 -0.11 0.00 -0.39 0.00 0.00 64.86 64.03 2ett h ILE 95 Cb 2.04 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 36.33 2ett h ILE 95 CO 0.24 0.08 -0.51 0.06 -0.69 0.00 0.00 178.15 177.33 2ett h GLN 96 N 0.43 0.01 0.29 2.37 3.07 -1.05 -2.40 115.11 117.82 2ett h GLN 96 Ca 0.15 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.87 2ett h GLN 96 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.58 2ett h GLN 96 CO -0.08 0.52 -0.14 0.78 0.09 0.00 0.00 178.83 180.00 2ett h GLY 97 N 1.52 -0.40 1.94 0.06 0.00 -0.43 0.48 103.07 106.24 2ett h GLY 97 Ca -0.00 0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 2ett h GLY 97 CO 0.07 -0.15 -0.19 0.16 0.00 0.00 0.00 176.54 176.43 2ett h ILE 98 N -0.43 1.16 -0.03 2.60 3.07 -1.28 -1.70 117.51 120.90 2ett h ILE 98 Ca -0.04 -0.76 -0.03 0.00 1.55 0.00 0.00 64.86 65.57 2ett h ILE 98 Cb 0.33 1.35 0.00 0.00 -0.27 0.00 0.00 36.82 38.23 2ett h ILE 98 CO 0.06 0.22 -0.11 0.25 -1.05 0.00 0.00 178.15 177.53 2ett h LEU 99 N 0.07 0.14 -1.47 0.16 6.46 -1.15 -3.23 115.31 116.30 2ett h LEU 99 Ca 0.01 -0.64 -0.03 0.00 -0.12 0.00 0.00 57.88 57.10 2ett h LEU 99 Cb 0.39 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.26 2ett h LEU 99 CO 0.03 0.76 0.06 0.22 -0.62 0.00 0.00 178.44 178.89 2ett h TYR 100 N -0.47 0.41 0.51 1.25 3.20 0.23 0.17 116.97 122.27 2ett h TYR 100 Ca -0.01 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 2ett h TYR 100 Cb 0.75 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.90 2ett h TYR 100 CO 0.14 0.37 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.69 2ett h LEU 101 N 0.41 -0.67 0.00 2.82 3.38 -1.36 -3.46 115.31 116.42 2ett h LEU 101 Ca 0.10 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2ett h LEU 101 Cb 0.17 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2ett h LEU 101 CO -0.00 -0.45 0.00 -3.20 0.09 0.00 0.00 178.44 174.88 2ett n ASN 102 N -5.42 0.00 -0.27 -0.43 4.05 -1.21 -4.96 115.26 107.03 2ett n ASN 102 Ca -0.12 0.00 0.05 0.00 0.45 0.00 0.00 54.58 54.96 2ett n ASN 102 Cb 0.31 0.08 0.27 0.00 1.23 0.00 0.00 39.78 41.67 2ett n ASN 102 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 177.26 173.60 2ett h GLN 103 N 0.00 0.93 0.00 1.20 5.75 -1.62 -3.45 115.11 117.91 2ett h GLN 103 Ca 0.00 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2ett h GLN 103 Cb 0.00 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.34 2ett h GLN 103 CO 0.00 0.61 0.00 -1.91 -2.65 0.00 0.00 178.83 174.88 2ett n GLU 104 N -4.48 0.00 -3.15 1.69 2.13 0.59 -4.50 120.64 112.92 2ett n GLU 104 Ca 0.13 0.00 0.06 0.00 0.66 0.00 0.00 57.16 58.00 2ett n GLU 104 Cb 0.20 -1.08 -0.02 0.00 0.27 0.00 0.00 31.44 30.81 2ett n GLU 104 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2ett s VAL 105 N 0.00 -0.01 -0.25 6.31 0.11 -1.26 -4.88 120.40 120.41 2ett s VAL 105 Ca 0.00 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 2ett s VAL 105 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 2ett s VAL 105 CO 0.00 0.00 1.74 -2.84 -3.33 0.00 0.00 175.10 170.67 2ett s PRO 106 N 2.81 3.59 0.60 1.54 0.02 -1.26 -4.85 135.00 137.45 2ett s PRO 106 Ca -0.09 1.63 0.37 0.00 0.02 0.00 0.00 61.00 62.93 2ett s PRO 106 Cb -0.07 -4.12 1.89 0.00 0.02 0.00 0.00 34.50 32.22 2ett s PRO 106 CO -0.08 -1.55 2.20 -0.22 -0.33 0.00 0.00 177.00 177.02 2ett h LYS 107 N 11.81 0.00 0.00 5.54 3.11 -2.00 -2.47 116.57 132.57 2ett h LYS 107 Ca -0.35 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.48 2ett h LYS 107 Cb 1.17 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.40 2ett h LYS 107 CO 1.01 0.03 -0.07 1.49 -2.81 0.00 0.00 179.45 179.09 2ett h GLU 108 N 0.00 0.00 -0.68 1.90 4.81 -1.97 -0.13 114.58 118.51 2ett h GLU 108 Ca -0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2ett h GLU 108 Cb 0.20 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 2ett h GLU 108 CO 0.00 0.07 0.17 -0.07 -0.73 0.00 0.00 179.01 178.46 2ett h LEU 109 N 0.00 1.03 -1.14 1.64 -0.00 -1.85 0.14 115.31 115.13 2ett h LEU 109 Ca -0.00 -0.23 -0.08 0.00 -0.00 0.00 0.00 57.88 57.57 2ett h LEU 109 Cb 0.25 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 2ett h LEU 109 CO 0.01 0.99 -0.23 -0.07 -0.00 0.00 0.00 178.44 179.14 2ett h LEU 110 N 1.02 0.31 -0.21 1.67 4.07 -1.24 -0.54 115.31 120.38 2ett h LEU 110 Ca 0.21 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.08 2ett h LEU 110 Cb 0.36 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.01 2ett h LEU 110 CO 0.00 0.55 0.00 -0.08 -1.08 0.00 0.00 178.44 177.83 2ett h GLU 111 N 0.28 0.00 0.05 1.13 4.57 -0.83 0.22 114.58 120.00 2ett h GLU 111 Ca 0.05 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.93 2ett h GLU 111 Cb 0.57 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.13 2ett h GLU 111 CO 0.04 0.00 -1.59 0.34 -1.18 0.00 0.00 179.01 176.61 2ett n PHE 112 N -3.04 1.07 0.47 0.92 7.35 0.47 -4.14 117.46 120.56 2ett n PHE 112 Ca 0.04 0.36 0.10 0.00 -0.76 0.00 0.00 57.45 57.19 2ett n PHE 112 Cb 0.49 -1.12 0.15 0.00 0.35 0.00 0.00 39.48 39.35 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 -4.06 3.06 -3.06 -2.13 4.32 -0.44 -4.96 117.00 109.72 2ett n LEU 113 Ca -0.33 -1.33 -0.12 0.00 -0.02 0.00 0.00 56.01 54.21 2ett n LEU 113 Cb 0.83 -0.14 0.06 0.00 -1.62 0.00 0.00 43.42 42.54 2ett n LEU 113 CO 0.27 0.62 0.06 -1.14 -1.22 0.00 0.00 177.39 175.98 2ett n ARG 114 N 1.24 -1.94 -0.24 3.23 0.00 -0.86 -4.92 116.66 113.17 2ett n ARG 114 Ca 0.15 0.85 0.10 0.00 -0.00 0.00 0.00 57.85 58.96 2ett n ARG 114 Cb 0.54 -5.41 0.27 0.00 0.00 0.00 0.00 32.46 27.86 2ett n ARG 114 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2ett n LEU 115 N -2.91 3.09 -4.68 6.15 4.77 0.71 -4.94 117.00 119.19 2ett n LEU 115 Ca -0.06 -1.45 -0.42 0.00 -0.03 0.00 0.00 56.01 54.05 2ett n LEU 115 Cb 0.60 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 2ett n LEU 115 CO 0.53 0.73 1.33 -0.13 -1.33 0.00 0.00 177.39 178.52 2ett s ARG 116 N -1.37 4.20 0.00 3.23 0.52 -1.24 -1.45 118.95 122.84 2ett s ARG 116 Ca 0.39 2.31 0.00 0.00 -0.52 0.00 0.00 55.73 57.91 2ett s ARG 116 Cb 0.21 -3.66 0.00 0.00 0.52 0.00 0.00 34.95 32.02 2ett s ARG 116 CO 0.29 -0.75 0.00 1.58 0.02 0.00 0.00 175.30 176.44 2ett n HIS 117 N 5.83 0.00 -3.65 -0.53 -0.00 -1.26 -5.03 115.22 110.58 2ett n HIS 117 Ca 0.16 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.49 2ett n HIS 117 Cb 0.41 -0.21 -0.10 0.00 -0.00 0.00 0.00 29.99 30.09 2ett n HIS 117 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2ett s PHE 118 N -2.00 3.46 -1.77 1.57 0.08 -0.53 -4.88 117.98 113.92 2ett s PHE 118 Ca 0.00 -1.99 0.10 0.00 0.12 0.00 0.00 56.93 55.15 2ett s PHE 118 Cb 0.00 -3.26 0.31 0.00 -0.57 0.00 0.00 43.02 39.50 2ett s PHE 118 CO 0.00 -0.95 1.21 -0.35 -0.10 0.00 0.00 175.22 175.03 2ett n PRO 119 N 4.79 1.94 -0.65 0.24 -0.05 -1.26 -4.87 135.00 135.15 2ett n PRO 119 Ca -0.07 -1.23 0.00 0.00 -0.05 0.00 0.00 63.50 62.15 2ett n PRO 119 Cb 0.41 -1.36 0.00 0.00 -0.05 0.00 0.00 33.50 32.50 2ett n PRO 119 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 175.50 177.86 2ett n THR 120 N 0.44 -2.72 -2.76 0.52 -1.04 -1.26 -4.56 114.28 102.89 2ett n THR 120 Ca 0.11 0.91 -0.43 0.00 -2.04 0.00 0.00 64.05 62.61 2ett n THR 120 Cb 0.35 -1.88 -0.04 0.00 -1.82 0.00 0.00 70.33 66.94 2ett n THR 120 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2ett s ASP 121 N -1.31 6.45 -0.00 8.00 1.11 -1.26 -4.99 116.67 124.67 2ett s ASP 121 Ca 0.00 -0.01 -0.30 0.00 0.18 0.00 0.00 52.55 52.41 2ett s ASP 121 Cb 0.00 -2.47 -0.05 0.00 1.07 0.00 0.00 42.92 41.46 2ett s ASP 121 CO 0.00 -1.21 1.38 -2.16 1.18 0.00 0.00 175.17 174.36 2ett s PRO 122 N 4.11 4.29 -0.07 8.23 0.04 -1.26 -5.01 135.00 145.33 2ett s PRO 122 Ca 0.37 1.93 0.05 0.00 0.04 0.00 0.00 61.00 63.39 2ett s PRO 122 Cb -0.10 -3.57 -0.01 0.00 0.04 0.00 0.00 34.50 30.86 2ett s PRO 122 CO 0.24 -0.56 -0.22 0.21 0.04 0.00 0.00 177.00 176.72 2ett s LYS 123 N 2.36 2.72 -0.46 4.56 2.20 -1.26 -5.05 119.74 124.80 2ett s LYS 123 Ca 0.63 -0.84 -0.26 0.00 -0.36 0.00 0.00 55.97 55.13 2ett s LYS 123 Cb -0.31 -2.27 -0.06 0.00 -1.51 0.00 0.00 37.83 33.68 2ett s LYS 123 CO 0.26 0.37 2.32 0.00 -0.36 0.00 0.00 175.35 177.94 2ett s ALA 124 N -0.11 1.84 -0.63 3.13 0.00 -1.26 -4.84 121.76 119.89 2ett s ALA 124 Ca -0.04 0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.04 2ett s ALA 124 Cb -0.14 -4.30 0.21 0.00 0.00 0.00 0.00 23.12 18.89 2ett s ALA 124 CO 0.04 -4.17 0.59 0.43 0.00 0.00 0.00 175.76 172.65 2ett n SER 125 N 14.98 2.78 -3.07 0.00 7.64 -1.26 -4.91 113.62 129.79 2ett n SER 125 Ca 0.34 -3.19 0.00 0.00 1.01 0.00 0.00 58.87 57.03 2ett n SER 125 Cb 0.53 -0.69 -0.00 0.00 -1.01 0.00 0.00 64.21 63.03 2ett n SER 125 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2ett s ASN 126 N -1.73 -1.37 -0.21 6.43 3.84 -1.26 -5.07 114.94 115.58 2ett s ASN 126 Ca 0.33 -0.89 -0.02 0.00 0.21 0.00 0.00 52.86 52.49 2ett s ASN 126 Cb 0.06 1.76 0.06 0.00 -0.55 0.00 0.00 41.25 42.58 2ett s ASN 126 CO -0.10 -0.13 0.02 0.26 -2.79 0.00 0.00 177.10 174.36 2ett s TRP 127 N 1.65 1.30 0.00 0.43 0.52 -1.26 -5.31 118.94 116.27 2ett s TRP 127 Ca 0.19 -1.05 0.00 0.00 0.02 0.00 0.00 56.10 55.26 2ett s TRP 127 Cb -0.02 -1.15 0.00 0.00 -1.15 0.00 0.00 33.47 31.15 2ett s TRP 127 CO -0.08 -0.65 0.00 0.41 0.02 0.00 0.00 176.95 176.66