#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ett n HIS 2 N 0.00 -2.55 -3.10 1.61 -0.00 -1.26 -4.92 115.22 105.00 2ett n HIS 2 Ca 0.00 1.50 -0.45 0.00 -0.00 0.00 0.00 57.72 58.77 2ett n HIS 2 Cb 0.00 -2.91 -0.01 0.00 -0.00 0.00 0.00 29.99 27.07 2ett n HIS 2 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ett s HIS 3 N -0.35 3.66 0.07 4.41 5.65 -1.26 -4.93 115.29 122.54 2ett s HIS 3 Ca -0.10 -2.10 -0.11 0.00 0.25 0.00 0.00 55.06 53.00 2ett s HIS 3 Cb 0.01 -4.11 0.01 0.00 -1.18 0.00 0.00 32.58 27.30 2ett s HIS 3 CO 0.26 -1.24 0.24 -1.01 -0.65 0.00 0.00 174.74 172.34 2ett s HIS 4 N 0.87 0.03 -0.20 3.88 0.09 -1.26 -5.15 115.29 113.55 2ett s HIS 4 Ca 0.34 -0.33 -0.04 0.00 -0.00 0.00 0.00 55.06 55.03 2ett s HIS 4 Cb -0.06 0.02 0.10 0.00 -0.00 0.00 0.00 32.58 32.64 2ett s HIS 4 CO -0.05 -0.53 0.27 -1.01 -0.00 0.00 0.00 174.74 173.42 2ett s HIS 5 N -3.26 -0.45 0.26 1.40 4.02 -1.26 -5.14 115.29 110.86 2ett s HIS 5 Ca 0.00 0.49 -0.01 0.00 1.02 0.00 0.00 55.06 56.56 2ett s HIS 5 Cb 0.02 -0.21 -0.04 0.00 -1.02 0.00 0.00 32.58 31.32 2ett s HIS 5 CO -0.08 -0.60 0.46 -1.01 1.02 0.00 0.00 174.74 174.53 2ett s HIS 6 N 2.40 3.48 -1.43 1.40 0.09 -1.26 -4.03 115.29 115.94 2ett s HIS 6 Ca 0.08 0.39 0.00 0.00 -0.00 0.00 0.00 55.06 55.53 2ett s HIS 6 Cb -0.15 -1.90 0.00 0.00 -0.00 0.00 0.00 32.58 30.53 2ett s HIS 6 CO -0.13 0.27 0.00 1.58 -0.00 0.00 0.00 174.74 176.47 2ett n HIS 7 N -1.04 -0.53 1.37 1.40 -0.00 -1.26 -4.88 115.22 110.29 2ett n HIS 7 Ca -0.04 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.17 2ett n HIS 7 Cb 0.55 -3.09 0.08 0.00 -0.12 0.00 0.00 29.99 27.41 2ett n HIS 7 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2ett n LEU 8 N -2.11 1.04 -2.05 0.27 7.94 -1.26 -4.91 117.00 115.93 2ett n LEU 8 Ca -0.18 -0.52 -0.01 0.00 -1.11 0.00 0.00 56.01 54.19 2ett n LEU 8 Cb 0.60 -0.15 -0.01 0.00 0.53 0.00 0.00 43.42 44.40 2ett n LEU 8 CO 0.22 0.25 -0.27 -0.62 -1.11 0.00 0.00 177.39 175.86 2ett n GLU 9 N 0.04 -1.86 -3.81 1.96 1.02 -1.26 -2.00 120.64 114.73 2ett n GLU 9 Ca 0.06 1.71 -0.28 0.00 -0.02 0.00 0.00 57.16 58.62 2ett n GLU 9 Cb 0.17 -3.01 -0.16 0.00 -0.02 0.00 0.00 31.44 28.42 2ett n GLU 9 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2ett s LEU 10 N -0.59 1.66 -0.03 -4.62 1.43 -1.26 -1.04 118.68 114.23 2ett s LEU 10 Ca -0.05 -0.91 0.02 0.00 -1.03 0.00 0.00 54.13 52.16 2ett s LEU 10 Cb 0.00 -0.81 0.01 0.00 0.03 0.00 0.00 46.19 45.43 2ett s LEU 10 CO 0.37 -0.27 -0.07 -1.61 0.23 0.00 0.00 176.35 175.00 2ett s GLU 11 N 1.69 0.91 -0.12 1.70 2.02 -0.86 -5.00 118.70 119.03 2ett s GLU 11 Ca -0.02 -0.22 -0.00 0.00 0.02 0.00 0.00 54.97 54.74 2ett s GLU 11 Cb -0.17 -0.86 0.02 0.00 0.10 0.00 0.00 34.13 33.22 2ett s GLU 11 CO -0.07 0.03 -0.10 0.08 0.02 0.00 0.00 175.26 175.23 2ett s VAL 12 N 0.46 1.20 0.00 2.63 1.01 -1.26 0.12 120.40 124.56 2ett s VAL 12 Ca -0.07 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 2ett s VAL 12 Cb -0.11 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.12 2ett s VAL 12 CO 0.01 0.40 0.32 -1.38 0.00 0.00 0.00 175.10 174.44 2ett s HIS 13 N 1.63 -0.17 -0.51 5.22 -3.43 -0.61 -4.61 115.29 112.81 2ett s HIS 13 Ca 0.05 0.20 -0.13 0.00 -0.80 0.00 0.00 55.06 54.38 2ett s HIS 13 Cb -0.13 0.11 0.13 0.00 -1.43 0.00 0.00 32.58 31.26 2ett s HIS 13 CO -0.09 -0.44 0.43 0.42 -2.00 0.00 0.00 174.74 173.06 2ett s ILE 14 N -1.72 4.72 0.50 -5.38 1.01 -1.26 0.38 121.20 119.45 2ett s ILE 14 Ca -0.11 -1.65 0.20 0.00 0.00 0.00 0.00 60.65 59.10 2ett s ILE 14 Cb -0.04 -4.06 0.36 0.00 0.01 0.00 0.00 42.46 38.73 2ett s ILE 14 CO 0.02 -0.83 2.02 -0.65 0.00 0.00 0.00 174.94 175.50 2ett h PRO 15 N 8.67 0.12 -2.15 2.79 0.11 -1.90 -3.46 132.00 136.16 2ett h PRO 15 Ca -0.25 -0.01 0.20 0.00 0.11 0.00 0.00 66.00 66.04 2ett h PRO 15 Cb 1.09 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.07 2ett h PRO 15 CO 0.95 0.08 0.55 -1.54 -0.21 0.00 0.00 178.00 177.83 2ett s SER 16 N -6.37 -0.18 0.01 -2.05 1.04 -1.26 -5.07 113.70 99.82 2ett s SER 16 Ca -0.06 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.09 2ett s SER 16 Cb 0.19 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.71 2ett s SER 16 CO 0.73 -0.74 -0.03 -0.69 0.98 0.00 0.00 173.24 173.49 2ett s VAL 17 N -3.09 0.18 0.13 5.02 1.01 -1.26 -1.05 120.40 121.34 2ett s VAL 17 Ca 0.11 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.48 2ett s VAL 17 Cb -0.00 -0.23 0.03 0.00 0.00 0.00 0.00 36.38 36.18 2ett s VAL 17 CO -0.01 -0.18 0.40 -0.83 0.00 0.00 0.00 175.10 174.49 2ett s GLY 18 N -0.67 -0.24 -0.76 4.51 0.00 0.71 -4.99 107.32 105.89 2ett s GLY 18 Ca -0.06 -0.09 -0.17 0.00 0.00 0.00 0.00 44.72 44.40 2ett s GLY 18 CO -0.00 -0.32 0.84 2.56 0.00 0.00 0.00 173.10 176.17 2ett s PRO 19 N -3.81 3.37 -0.17 2.90 0.05 -1.26 -0.01 135.00 136.06 2ett s PRO 19 Ca 0.04 -1.80 0.07 0.00 0.05 0.00 0.00 61.00 59.36 2ett s PRO 19 Cb 0.02 -4.50 0.21 0.00 0.05 0.00 0.00 34.50 30.28 2ett s PRO 19 CO -0.11 -1.53 1.09 -0.85 0.05 0.00 0.00 177.00 175.65 2ett n GLU 20 N 5.66 0.70 -1.77 4.56 0.00 -1.11 -4.93 120.64 123.75 2ett n GLU 20 Ca 0.07 -0.81 -0.31 0.00 0.00 0.00 0.00 57.16 56.11 2ett n GLU 20 Cb 0.46 0.36 0.03 0.00 0.00 0.00 0.00 31.44 32.29 2ett n GLU 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2ett s ALA 21 N 0.07 2.89 0.74 -1.84 0.00 0.86 -4.93 121.76 119.55 2ett s ALA 21 Ca 0.05 -0.10 -0.08 0.00 0.00 0.00 0.00 51.96 51.83 2ett s ALA 21 Cb 0.23 -3.10 0.08 0.00 0.00 0.00 0.00 23.12 20.33 2ett s ALA 21 CO -0.07 -0.99 1.07 -1.83 0.00 0.00 0.00 175.76 173.94 2ett s GLU 22 N -5.17 2.02 -0.71 0.00 1.03 -1.26 -4.80 118.70 109.81 2ett s GLU 22 Ca 0.57 -0.23 -0.07 0.00 0.03 0.00 0.00 54.97 55.26 2ett s GLU 22 Cb -0.12 -2.11 0.18 0.00 -0.80 0.00 0.00 34.13 31.28 2ett s GLU 22 CO 0.54 -1.40 0.57 0.20 -1.33 0.00 0.00 175.26 173.85 2ett s GLY 23 N -4.56 2.57 0.01 -3.83 0.00 -1.26 -4.89 107.32 95.35 2ett s GLY 23 Ca 0.62 -3.29 -0.12 0.00 0.00 0.00 0.00 44.72 41.93 2ett s GLY 23 CO 0.46 1.17 0.88 -0.56 0.00 0.00 0.00 173.10 175.05 2ett h PRO 24 N 7.32 -0.42 -3.13 2.90 0.13 -2.05 -3.49 132.00 133.27 2ett h PRO 24 Ca 0.03 0.03 0.01 0.00 -0.87 0.00 0.00 66.00 65.20 2ett h PRO 24 Cb 0.99 0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 2ett h PRO 24 CO 0.73 -0.28 0.18 0.50 -0.23 0.00 0.00 178.00 178.90 2ett s ARG 25 N -3.42 1.90 -0.50 0.86 3.52 -1.26 -5.07 118.95 114.97 2ett s ARG 25 Ca -0.06 -1.19 -0.26 0.00 -0.13 0.00 0.00 55.73 54.09 2ett s ARG 25 Cb 0.01 0.59 -0.07 0.00 -1.56 0.00 0.00 34.95 33.91 2ett s ARG 25 CO 0.19 -0.86 2.42 0.94 -0.81 0.00 0.00 175.30 177.18 2ett n GLN 26 N -0.48 1.02 -2.64 5.12 0.00 -1.26 -4.93 117.38 114.21 2ett n GLN 26 Ca -0.05 -0.05 -0.18 0.00 -0.00 0.00 0.00 57.00 56.72 2ett n GLN 26 Cb 0.60 -3.47 0.07 0.00 0.00 0.00 0.00 30.24 27.44 2ett n GLN 26 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2ett n SER 27 N 16.13 1.68 0.00 1.69 7.64 -1.26 -4.94 113.62 134.56 2ett n SER 27 Ca 0.38 -2.27 0.00 0.00 1.01 0.00 0.00 58.87 57.99 2ett n SER 27 Cb 0.54 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2ett n SER 27 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2ett n PRO 28 N -2.29 0.00 -1.95 1.43 -0.02 -1.26 -4.77 135.00 126.14 2ett n PRO 28 Ca 0.15 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.60 2ett n PRO 28 Cb 0.53 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 2ett n PRO 28 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ett n GLU 29 N -0.81 -0.77 -3.06 -0.52 1.02 -1.26 -5.09 120.64 110.15 2ett n GLU 29 Ca 0.00 1.03 -0.12 0.00 -0.02 0.00 0.00 57.16 58.05 2ett n GLU 29 Cb 0.00 -2.89 -0.03 0.00 -0.02 0.00 0.00 31.44 28.50 2ett n GLU 29 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2ett n LYS 30 N -0.48 0.97 -2.96 3.49 4.76 -1.26 -5.13 118.16 117.55 2ett n LYS 30 Ca 0.04 -1.50 -0.38 0.00 -2.87 0.00 0.00 58.31 53.60 2ett n LYS 30 Cb 0.17 0.70 -0.06 0.00 -1.84 0.00 0.00 35.03 34.00 2ett n LYS 30 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2ett s SER 31 N -2.10 7.28 0.00 4.39 0.01 -1.26 -4.93 113.70 117.09 2ett s SER 31 Ca 0.07 1.63 -0.04 0.00 1.31 0.00 0.00 55.95 58.92 2ett s SER 31 Cb 0.00 -2.50 -0.18 0.00 0.21 0.00 0.00 66.02 63.55 2ett s SER 31 CO 0.05 0.08 2.89 1.41 0.41 0.00 0.00 173.24 178.07 2ett n HIS 32 N 1.02 0.00 -4.52 2.43 8.25 -1.26 -4.69 115.22 116.45 2ett n HIS 32 Ca -0.02 -1.20 -0.32 0.00 -0.26 0.00 0.00 57.72 55.92 2ett n HIS 32 Cb 0.50 -1.23 -0.11 0.00 1.12 0.00 0.00 29.99 30.27 2ett n HIS 32 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 2ett s MET 33 N 1.06 2.41 0.01 -0.41 0.00 -1.26 -0.10 119.30 121.00 2ett s MET 33 Ca 0.45 -0.80 0.02 0.00 0.00 0.00 0.00 55.69 55.36 2ett s MET 33 Cb 0.22 -2.41 -0.01 0.00 0.00 0.00 0.00 34.83 32.63 2ett s MET 33 CO 0.00 0.58 -0.07 0.54 0.00 0.00 0.00 175.02 176.08 2ett s VAL 34 N -0.98 0.51 0.04 10.11 0.11 0.99 -3.67 120.40 127.51 2ett s VAL 34 Ca 0.16 -0.49 0.07 0.00 -2.93 0.00 0.00 61.98 58.79 2ett s VAL 34 Cb -0.11 -0.47 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 2ett s VAL 34 CO 0.07 -0.00 -0.16 0.72 -3.33 0.00 0.00 175.10 172.40 2ett s PHE 35 N -0.47 2.62 -0.50 1.54 -0.12 0.28 -0.21 117.98 121.13 2ett s PHE 35 Ca -0.01 -0.21 -0.15 0.00 -0.05 0.00 0.00 56.93 56.51 2ett s PHE 35 Cb -0.04 -1.48 0.10 0.00 -0.63 0.00 0.00 43.02 40.97 2ett s PHE 35 CO -0.00 0.29 0.43 1.03 -0.05 0.00 0.00 175.22 176.92 2ett s ARG 36 N -1.52 2.91 0.11 1.99 3.00 -0.22 -0.71 118.95 124.52 2ett s ARG 36 Ca 0.16 -1.55 -0.21 0.00 0.00 0.00 0.00 55.73 54.13 2ett s ARG 36 Cb -0.11 -4.16 -0.07 0.00 0.00 0.00 0.00 34.95 30.61 2ett s ARG 36 CO 0.06 -1.17 0.64 0.14 0.00 0.00 0.00 175.30 174.97 2ett s VAL 37 N 1.58 4.63 -0.25 3.52 -7.23 0.79 -3.02 120.40 120.42 2ett s VAL 37 Ca 0.04 1.34 0.02 0.00 -1.81 0.00 0.00 61.98 61.57 2ett s VAL 37 Cb -0.27 -3.95 0.06 0.00 0.56 0.00 0.00 36.38 32.77 2ett s VAL 37 CO 0.04 0.51 -0.11 -0.70 -0.31 0.00 0.00 175.10 174.53 2ett s GLU 38 N -1.23 2.18 -0.36 4.82 2.12 0.16 0.83 118.70 127.23 2ett s GLU 38 Ca 0.32 -1.24 -0.18 0.00 0.36 0.00 0.00 54.97 54.23 2ett s GLU 38 Cb -0.20 -2.80 -0.00 0.00 0.26 0.00 0.00 34.13 31.39 2ett s GLU 38 CO 0.21 -0.55 0.52 0.08 -0.54 0.00 0.00 175.26 174.99 2ett s VAL 39 N 1.17 5.01 -0.35 3.70 1.01 -1.04 -1.57 120.40 128.33 2ett s VAL 39 Ca -0.07 0.30 -0.14 0.00 0.00 0.00 0.00 61.98 62.07 2ett s VAL 39 Cb -0.19 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 2ett s VAL 39 CO -0.06 -0.25 0.31 -0.22 0.00 0.00 0.00 175.10 174.88 2ett s LEU 40 N 2.41 4.51 -0.23 3.92 1.98 0.12 -2.41 118.68 128.98 2ett s LEU 40 Ca 0.19 -0.35 -0.02 0.00 -2.89 0.00 0.00 54.13 51.06 2ett s LEU 40 Cb -0.15 -2.25 0.07 0.00 0.66 0.00 0.00 46.19 44.52 2ett s LEU 40 CO 0.14 -0.31 0.04 0.00 -1.89 0.00 0.00 176.35 174.33 2ett n SER 42 N 4.95 -3.07 0.00 0.00 2.88 -0.20 -1.39 113.62 116.79 2ett n SER 42 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2ett n SER 42 Cb 0.45 -1.76 0.00 0.00 -0.75 0.00 0.00 64.21 62.15 2ett n SER 42 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ett n GLY 43 N -1.32 1.53 3.69 0.46 0.00 -1.26 -4.98 105.19 103.31 2ett n GLY 43 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.08 4.43 -0.02 1.61 3.00 -0.49 -4.99 118.95 122.42 2ett s ARG 44 Ca 0.00 1.41 -0.01 0.00 0.00 0.00 0.00 55.73 57.12 2ett s ARG 44 Cb 0.00 -3.54 0.01 0.00 0.00 0.00 0.00 34.95 31.42 2ett s ARG 44 CO 0.00 -0.30 0.05 -0.98 0.00 0.00 0.00 175.30 174.07 2ett s ARG 45 N 1.94 0.05 -0.09 3.54 1.70 -1.26 -0.01 118.95 124.83 2ett s ARG 45 Ca 0.49 0.08 0.02 0.00 -0.47 0.00 0.00 55.73 55.85 2ett s ARG 45 Cb -0.19 0.00 0.01 0.00 -0.57 0.00 0.00 34.95 34.21 2ett s ARG 45 CO 0.19 -0.02 -0.14 -1.58 -1.08 0.00 0.00 175.30 172.67 2ett s HIS 46 N 0.13 1.72 -0.56 5.89 2.46 -1.01 -3.41 115.29 120.51 2ett s HIS 46 Ca -0.01 -0.72 -0.25 0.00 0.47 0.00 0.00 55.06 54.55 2ett s HIS 46 Cb -0.01 -1.25 0.04 0.00 -0.13 0.00 0.00 32.58 31.22 2ett s HIS 46 CO -0.00 -0.37 0.99 0.99 -2.47 0.00 0.00 174.74 173.87 2ett s THR 47 N 0.82 4.32 -0.40 0.89 2.01 -1.26 -2.49 115.64 119.53 2ett s THR 47 Ca -0.11 0.34 -0.10 0.00 0.31 0.00 0.00 61.69 62.13 2ett s THR 47 Cb -0.15 -4.58 0.06 0.00 0.01 0.00 0.00 72.50 67.83 2ett s THR 47 CO 0.02 -1.18 0.23 -0.69 -0.69 0.00 0.00 174.62 172.31 2ett s VAL 48 N 4.13 4.36 -0.34 3.82 1.01 0.24 -4.90 120.40 128.73 2ett s VAL 48 Ca 0.32 -1.16 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 2ett s VAL 48 Cb -0.12 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.72 2ett s VAL 48 CO 0.20 -0.38 1.10 -2.84 0.00 0.00 0.00 175.10 173.17 2ett s PRO 49 N 1.48 4.01 0.12 2.72 0.02 -1.26 -0.15 135.00 141.95 2ett s PRO 49 Ca 0.02 1.02 0.03 0.00 0.02 0.00 0.00 61.00 62.09 2ett s PRO 49 Cb -0.21 -3.77 -0.04 0.00 0.02 0.00 0.00 34.50 30.50 2ett s PRO 49 CO 0.04 -0.98 -0.08 1.03 -0.33 0.00 0.00 177.00 176.68 2ett s ARG 50 N 3.79 0.93 0.67 5.54 1.81 0.12 -4.93 118.95 126.87 2ett s ARG 50 Ca 0.46 -1.37 -0.05 0.00 -1.72 0.00 0.00 55.73 53.06 2ett s ARG 50 Cb -0.12 -0.40 0.06 0.00 -0.45 0.00 0.00 34.95 34.04 2ett s ARG 50 CO 0.18 0.03 0.96 0.50 -0.68 0.00 0.00 175.30 176.29 2ett s ARG 51 N -3.73 2.25 0.38 3.54 3.52 -1.26 -0.55 118.95 123.09 2ett s ARG 51 Ca 0.13 -0.40 0.18 0.00 -0.13 0.00 0.00 55.73 55.51 2ett s ARG 51 Cb 0.04 -2.25 0.72 0.00 -1.56 0.00 0.00 34.95 31.90 2ett s ARG 51 CO -0.02 -1.13 1.77 -0.92 -0.81 0.00 0.00 175.30 174.18 2ett h TYR 52 N -0.45 0.00 0.03 5.12 5.03 -1.84 -3.26 116.97 121.61 2ett h TYR 52 Ca -0.44 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 60.87 2ett h TYR 52 Cb 1.31 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.59 2ett h TYR 52 CO 0.32 0.38 -0.02 1.03 -1.32 0.00 0.00 178.16 178.55 2ett h SER 53 N 0.00 -0.04 -0.07 -2.11 0.87 -1.90 -0.94 113.55 109.36 2ett h SER 53 Ca -0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 2ett h SER 53 Cb 0.83 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2ett h SER 53 CO 0.05 -0.03 -0.26 1.05 -0.53 0.00 0.00 176.83 177.11 2ett h GLU 54 N -0.04 0.29 -0.22 2.24 9.09 -1.98 -2.68 114.58 121.28 2ett h GLU 54 Ca -0.00 -0.23 -0.01 0.00 0.05 0.00 0.00 59.36 59.17 2ett h GLU 54 Cb 0.03 0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.17 2ett h GLU 54 CO 0.01 0.87 0.10 0.74 0.05 0.00 0.00 179.01 180.77 2ett h PHE 55 N -0.21 0.29 -0.10 2.06 -1.00 -1.58 0.86 116.94 117.25 2ett h PHE 55 Ca -0.01 -0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.62 2ett h PHE 55 Cb 0.91 -0.09 0.01 0.00 3.61 0.00 0.00 35.95 40.38 2ett h PHE 55 CO 0.13 0.22 -0.52 1.25 -1.61 0.00 0.00 178.31 177.78 2ett h HIS 56 N 0.30 0.72 -0.37 -0.55 2.76 -1.20 -2.49 115.15 114.32 2ett h HIS 56 Ca 0.08 -0.32 -0.16 0.00 -2.20 0.00 0.00 60.37 57.77 2ett h HIS 56 Cb 0.04 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 2ett h HIS 56 CO 0.00 1.10 -0.41 0.00 -1.30 0.00 0.00 177.93 177.32 2ett h ALA 57 N 0.47 0.57 -0.31 5.26 0.00 -1.03 -2.75 119.26 121.47 2ett h ALA 57 Ca -0.04 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.45 2ett h ALA 57 Cb 1.17 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2ett h ALA 57 CO 0.11 0.68 0.06 1.25 0.00 0.00 0.00 179.25 181.35 2ett h LEU 58 N 0.74 0.02 -0.29 0.00 5.85 0.69 0.50 115.31 122.81 2ett h LEU 58 Ca 0.05 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 2ett h LEU 58 Cb 1.01 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2ett h LEU 58 CO 0.10 0.05 -0.02 -0.74 -0.34 0.00 0.00 178.44 177.49 2ett h HIS 59 N 0.18 0.59 0.00 1.25 2.76 -1.44 -2.50 115.15 115.99 2ett h HIS 59 Ca 0.15 -0.11 -0.10 0.00 -2.20 0.00 0.00 60.37 58.11 2ett h HIS 59 Cb 0.16 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 2ett h HIS 59 CO -0.17 0.69 -0.47 1.57 -1.30 0.00 0.00 177.93 178.24 2ett h LYS 60 N 0.32 0.00 -0.22 5.26 2.10 -1.17 -1.51 116.57 121.34 2ett h LYS 60 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 2ett h LYS 60 Cb 0.47 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 2ett h LYS 60 CO 0.02 0.47 0.15 -0.09 -2.00 0.00 0.00 179.45 178.00 2ett h ARG 61 N 0.00 0.30 0.00 0.07 2.43 0.22 -2.44 114.38 114.95 2ett h ARG 61 Ca -0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2ett h ARG 61 Cb 1.03 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 2ett h ARG 61 CO 0.06 0.20 -0.18 0.44 -1.51 0.00 0.00 179.97 178.98 2ett n ILE 62 N -4.93 0.40 0.01 1.20 -5.35 -0.96 -3.66 119.36 106.07 2ett n ILE 62 Ca -0.03 -0.22 -0.02 0.00 -0.27 0.00 0.00 62.75 62.21 2ett n ILE 62 Cb 0.03 -0.41 0.23 0.00 -1.74 0.00 0.00 39.64 37.75 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 0.50 0.00 6.28 2.10 -0.76 0.53 116.57 125.21 2ett h LYS 63 Ca 0.00 -0.16 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2ett h LYS 63 Cb 0.68 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 2ett h LYS 63 CO 0.00 0.66 0.00 0.87 -2.00 0.00 0.00 179.45 178.98 2ett h LYS 64 N 0.45 0.00 0.01 0.07 1.57 -1.62 -3.36 116.57 113.70 2ett h LYS 64 Ca 0.08 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.47 2ett h LYS 64 Cb 0.56 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.82 2ett h LYS 64 CO 0.04 0.00 -2.20 -0.11 -0.57 0.00 0.00 179.45 176.61 2ett n LEU 65 N -2.95 2.24 0.00 2.94 0.00 0.00 -5.07 117.00 114.16 2ett n LEU 65 Ca 0.02 0.24 -0.07 0.00 0.00 0.00 0.00 56.01 56.20 2ett n LEU 65 Cb 0.37 -0.91 -0.02 0.00 0.00 0.00 0.00 43.42 42.86 2ett n LEU 65 CO 0.28 0.62 0.00 0.00 0.00 0.00 0.00 177.39 178.30 2ett n TYR 66 N -3.98 -0.49 -1.65 1.96 4.11 0.16 -5.09 117.16 112.19 2ett n TYR 66 Ca -0.45 -0.99 -0.43 0.00 -0.00 0.00 0.00 57.90 56.03 2ett n TYR 66 Cb 0.88 0.15 -0.03 0.00 -0.00 0.00 0.00 39.34 40.34 2ett n TYR 66 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 2ett s LYS 67 N -2.43 3.12 -0.15 -3.48 1.02 -1.26 -4.51 119.74 112.05 2ett s LYS 67 Ca 0.13 1.95 -0.08 0.00 0.02 0.00 0.00 55.97 57.99 2ett s LYS 67 Cb 0.00 -4.36 0.06 0.00 -0.52 0.00 0.00 37.83 33.01 2ett s LYS 67 CO 0.10 -2.11 0.37 0.08 -0.92 0.00 0.00 175.35 172.86 2ett s VAL 68 N 8.26 -0.03 0.00 3.17 1.01 -1.26 -4.71 120.40 126.83 2ett s VAL 68 Ca 0.98 0.11 0.00 0.00 0.00 0.00 0.00 61.98 63.07 2ett s VAL 68 Cb -0.31 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.51 2ett s VAL 68 CO 0.35 0.04 0.00 -0.81 0.00 0.00 0.00 175.10 174.68 2ett n PRO 69 N 4.27 -0.32 -0.44 2.72 -0.04 -1.26 -4.92 135.00 135.01 2ett n PRO 69 Ca -0.24 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.92 2ett n PRO 69 Cb 0.55 0.00 0.28 0.00 -0.04 0.00 0.00 33.50 34.28 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 -1.21 -0.47 0.14 3.54 1.11 -1.26 -4.98 116.67 113.54 2ett s ASP 70 Ca 0.00 1.04 0.05 0.00 0.18 0.00 0.00 52.55 53.82 2ett s ASP 70 Cb 0.00 -1.53 -0.04 0.00 1.07 0.00 0.00 42.92 42.42 2ett s ASP 70 CO 0.00 -5.02 -0.11 0.72 1.18 0.00 0.00 175.17 171.93 2ett s PHE 71 N -2.34 1.29 0.77 4.23 -0.12 -1.26 -4.92 117.98 115.62 2ett s PHE 71 Ca 0.69 -0.68 -0.13 0.00 -0.05 0.00 0.00 56.93 56.76 2ett s PHE 71 Cb -0.17 -0.66 0.06 0.00 -0.63 0.00 0.00 43.02 41.62 2ett s PHE 71 CO 0.60 0.10 1.16 -2.14 -0.05 0.00 0.00 175.22 174.89 2ett s PRO 72 N -3.31 1.98 0.69 1.99 0.02 -1.26 -4.99 135.00 130.13 2ett s PRO 72 Ca 0.13 1.57 -0.15 0.00 0.02 0.00 0.00 61.00 62.58 2ett s PRO 72 Cb -0.00 -1.83 0.02 0.00 0.02 0.00 0.00 34.50 32.70 2ett s PRO 72 CO 0.01 -1.91 1.14 0.45 -0.33 0.00 0.00 177.00 176.36 2ett s SER 73 N -2.46 4.74 -0.01 2.53 0.15 -1.26 -4.97 113.70 112.43 2ett s SER 73 Ca 0.70 2.10 -0.24 0.00 0.70 0.00 0.00 55.95 59.21 2ett s SER 73 Cb -0.25 -2.56 -0.16 0.00 -1.71 0.00 0.00 66.02 61.35 2ett s SER 73 CO 0.49 -1.88 1.10 0.11 1.20 0.00 0.00 173.24 174.26 2ett h LYS 74 N -0.19 -0.41 -6.08 5.44 1.57 -2.04 -3.39 116.57 111.48 2ett h LYS 74 Ca -0.47 0.03 -0.60 0.00 -1.87 0.00 0.00 60.65 57.74 2ett h LYS 74 Cb 1.26 0.09 -0.11 0.00 0.08 0.00 0.00 32.23 33.55 2ett h LYS 74 CO 0.52 -0.07 0.56 0.50 -0.57 0.00 0.00 179.45 180.39 2ett s ARG 75 N -4.30 3.49 0.14 3.15 6.06 -1.26 -5.01 118.95 121.21 2ett s ARG 75 Ca -0.13 0.07 0.08 0.00 -2.50 0.00 0.00 55.73 53.25 2ett s ARG 75 Cb 0.02 -3.95 -0.04 0.00 0.06 0.00 0.00 34.95 31.04 2ett s ARG 75 CO 0.50 -1.26 -0.20 -0.51 -2.50 0.00 0.00 175.30 171.33 2ett s LEU 76 N 3.75 2.37 0.98 -0.88 1.43 -1.26 -5.14 118.68 119.94 2ett s LEU 76 Ca 0.35 -0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 52.55 2ett s LEU 76 Cb -0.11 -0.86 0.11 0.00 0.03 0.00 0.00 46.19 45.37 2ett s LEU 76 CO 0.25 0.01 0.69 -0.81 0.23 0.00 0.00 176.35 176.72 2ett n PRO 77 N 0.67 -0.73 0.00 1.29 -0.04 -1.26 -4.86 135.00 130.07 2ett n PRO 77 Ca -0.16 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.13 2ett n PRO 77 Cb 0.55 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2ett n PRO 77 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2ett n ASN 78 N -2.79 0.26 0.00 3.54 3.02 -1.26 -4.81 115.26 113.22 2ett n ASN 78 Ca 0.08 -1.69 0.00 0.00 -0.03 0.00 0.00 54.58 52.93 2ett n ASN 78 Cb 0.54 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 2ett n ASN 78 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2ett n TRP 79 N -0.32 0.00 0.09 3.10 7.02 -1.26 -4.80 117.44 121.26 2ett n TRP 79 Ca 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.36 2ett n TRP 79 Cb 0.07 -1.25 -0.08 0.00 -2.42 0.00 0.00 31.31 27.63 2ett n TRP 79 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 2ett h ARG 80 N 0.47 0.24 0.12 -0.99 2.43 -1.98 -3.34 114.38 111.32 2ett h ARG 80 Ca 0.00 -0.33 -0.16 0.00 -0.81 0.00 0.00 59.98 58.68 2ett h ARG 80 Cb 0.54 0.11 0.02 0.00 -0.42 0.00 0.00 29.97 30.22 2ett h ARG 80 CO 0.00 1.09 -0.69 1.15 -1.51 0.00 0.00 179.97 180.01 2ett h THR 81 N 0.11 1.55 -5.16 0.20 2.02 -1.96 -3.47 112.91 106.20 2ett h THR 81 Ca -0.08 -2.50 -0.27 0.00 0.77 0.00 0.00 66.41 64.33 2ett h THR 81 Cb 1.73 3.23 0.03 0.00 -1.74 0.00 0.00 68.15 71.39 2ett h THR 81 CO 0.17 0.70 -0.01 0.54 0.37 0.00 0.00 175.52 177.29 2ett n ARG 82 N -4.20 0.61 -3.92 6.66 1.74 -1.25 -5.12 116.66 111.16 2ett n ARG 82 Ca -0.13 -1.67 -0.23 0.00 -0.77 0.00 0.00 57.85 55.05 2ett n ARG 82 Cb 0.77 -0.21 -0.06 0.00 -1.02 0.00 0.00 32.46 31.94 2ett n ARG 82 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2ett s GLY 83 N -3.59 2.14 0.37 -0.13 0.00 -1.26 -4.83 107.32 100.03 2ett s GLY 83 Ca 0.35 -1.94 0.27 0.00 0.00 0.00 0.00 44.72 43.39 2ett s GLY 83 CO 0.22 -1.79 1.78 1.41 0.00 0.00 0.00 173.10 174.73 2ett h LEU 84 N 1.32 0.00 -1.46 0.66 -0.00 -1.99 -3.09 115.31 110.74 2ett h LEU 84 Ca -0.43 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.40 2ett h LEU 84 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.91 2ett h LEU 84 CO 0.64 0.00 -0.22 -0.33 -0.00 0.00 0.00 178.44 178.53 2ett h GLU 85 N 0.00 0.07 0.02 1.13 4.39 -1.97 0.46 114.58 118.68 2ett h GLU 85 Ca 0.00 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 2ett h GLU 85 Cb 0.64 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2ett h GLU 85 CO 0.00 0.29 -0.01 0.37 -1.16 0.00 0.00 179.01 178.50 2ett h GLN 86 N 0.06 -0.03 0.29 2.33 -0.00 -1.96 0.90 115.11 116.71 2ett h GLN 86 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 2ett h GLN 86 Cb 0.43 0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.92 2ett h GLN 86 CO 0.03 0.31 -0.14 -0.09 0.00 0.00 0.00 178.83 178.94 2ett h ARG 87 N -0.37 -0.38 -0.82 1.69 2.43 -1.58 -2.52 114.38 112.83 2ett h ARG 87 Ca -0.00 0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.32 2ett h ARG 87 Cb 0.35 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 29.91 2ett h ARG 87 CO 0.01 -0.17 0.43 -0.09 -1.51 0.00 0.00 179.97 178.63 2ett h ARG 88 N -0.51 0.64 -0.89 0.20 1.12 -0.14 -1.04 114.38 113.76 2ett h ARG 88 Ca -0.04 -0.04 0.02 0.00 -1.11 0.00 0.00 59.98 58.81 2ett h ARG 88 Cb 0.38 -0.14 -0.05 0.00 -0.01 0.00 0.00 29.97 30.15 2ett h ARG 88 CO 0.07 0.42 0.59 0.37 -3.11 0.00 0.00 179.97 178.31 2ett h GLN 89 N 0.66 1.14 -0.10 0.20 5.75 -0.64 0.95 115.11 123.07 2ett h GLN 89 Ca 0.43 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.87 2ett h GLN 89 Cb 0.53 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 2ett h GLN 89 CO -0.32 0.75 -0.00 0.78 -2.65 0.00 0.00 178.83 177.39 2ett h GLY 90 N 1.17 0.09 1.64 2.39 0.00 -0.76 -1.02 103.07 106.58 2ett h GLY 90 Ca 0.34 0.01 -0.12 0.00 0.00 0.00 0.00 47.33 47.56 2ett h GLY 90 CO -0.08 -0.02 -0.40 1.41 0.00 0.00 0.00 176.54 177.45 2ett h LEU 91 N 0.03 0.41 -0.23 3.11 -0.00 -1.03 -0.04 115.31 117.57 2ett h LEU 91 Ca 0.04 -0.18 0.06 0.00 -0.00 0.00 0.00 57.88 57.80 2ett h LEU 91 Cb 0.05 -0.12 -0.06 0.00 -0.00 0.00 0.00 40.66 40.54 2ett h LEU 91 CO -0.08 0.78 -0.15 -0.33 -0.00 0.00 0.00 178.44 178.66 2ett h GLU 92 N 0.33 -0.13 -0.08 1.13 4.39 -0.37 0.42 114.58 120.26 2ett h GLU 92 Ca 0.03 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 2ett h GLU 92 Cb 0.85 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.53 2ett h GLU 92 CO 0.07 -0.09 -0.08 0.00 -1.16 0.00 0.00 179.01 177.75 2ett h ALA 93 N 1.02 0.12 -0.00 3.43 0.00 -0.99 -2.43 119.26 120.40 2ett h ALA 93 Ca 0.13 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2ett h ALA 93 Cb 0.33 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.11 2ett h ALA 93 CO -0.31 -0.06 -0.39 1.88 0.00 0.00 0.00 179.25 180.37 2ett h TYR 94 N -0.23 0.40 -0.10 0.00 0.05 -0.88 -1.42 116.97 114.78 2ett h TYR 94 Ca 0.01 -0.21 -0.08 0.00 0.05 0.00 0.00 58.73 58.50 2ett h TYR 94 Cb 0.59 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.29 2ett h TYR 94 CO 0.09 1.02 -0.24 0.82 -1.05 0.00 0.00 178.16 178.79 2ett h ILE 95 N -0.34 1.39 -0.08 -2.88 1.08 -0.28 -2.42 117.51 113.99 2ett h ILE 95 Ca -0.05 -1.55 -0.12 0.00 -0.39 0.00 0.00 64.86 62.75 2ett h ILE 95 Cb 1.12 2.14 -0.01 0.00 -3.07 0.00 0.00 36.82 36.99 2ett h ILE 95 CO 0.08 0.45 -0.50 -0.61 -0.69 0.00 0.00 178.15 176.88 2ett h GLN 96 N -0.09 0.20 -0.13 2.37 4.15 -1.50 -2.65 115.11 117.45 2ett h GLN 96 Ca -0.00 -0.11 0.03 0.00 0.77 0.00 0.00 58.65 59.34 2ett h GLN 96 Cb 0.85 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.51 2ett h GLN 96 CO 0.05 0.66 -0.08 0.78 -1.93 0.00 0.00 178.83 178.31 2ett h GLY 97 N 1.36 0.03 1.79 2.39 0.00 -1.20 0.01 103.07 107.46 2ett h GLY 97 Ca 0.01 0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.36 2ett h GLY 97 CO 0.07 -0.10 -0.26 0.16 0.00 0.00 0.00 176.54 176.42 2ett h ILE 98 N -0.08 1.24 0.00 2.60 3.07 -1.36 -0.69 117.51 122.29 2ett h ILE 98 Ca 0.08 -1.13 -0.09 0.00 1.55 0.00 0.00 64.86 65.27 2ett h ILE 98 Cb 0.20 1.42 -0.01 0.00 -0.27 0.00 0.00 36.82 38.16 2ett h ILE 98 CO -0.19 0.34 -0.41 0.25 -1.05 0.00 0.00 178.15 177.10 2ett h LEU 99 N 0.23 0.00 0.00 0.16 6.46 -1.03 -2.05 115.31 119.07 2ett h LEU 99 Ca 0.04 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.75 2ett h LEU 99 Cb 0.58 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 2ett h LEU 99 CO 0.04 0.41 -0.43 0.22 -0.62 0.00 0.00 178.44 178.07 2ett h TYR 100 N 0.00 0.00 0.00 1.25 3.20 -0.35 -3.29 116.97 117.78 2ett h TYR 100 Ca -0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2ett h TYR 100 Cb 0.74 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.01 2ett h TYR 100 CO 0.00 0.21 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.65 2ett h LEU 101 N 0.00 0.00 0.00 2.82 3.38 -0.45 -3.49 115.31 117.56 2ett h LEU 101 Ca -0.02 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2ett h LEU 101 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2ett h LEU 101 CO 0.03 0.66 0.00 -3.20 0.09 0.00 0.00 178.44 176.01 2ett n ASN 102 N -4.73 -0.14 0.00 -0.43 5.15 -0.97 -4.95 115.26 109.19 2ett n ASN 102 Ca -0.03 0.04 0.10 0.00 -0.60 0.00 0.00 54.58 54.09 2ett n ASN 102 Cb 0.15 0.43 0.50 0.00 -0.53 0.00 0.00 39.78 40.33 2ett n ASN 102 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ett n GLN 103 N -2.55 0.25 0.00 1.20 6.02 -1.26 -4.93 117.38 116.12 2ett n GLN 103 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2ett n GLN 103 Cb 0.00 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.76 2ett n GLN 103 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2ett n GLU 104 N -1.31 0.00 -2.99 -1.09 1.02 -1.24 -4.24 120.64 110.79 2ett n GLU 104 Ca 0.09 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.81 2ett n GLU 104 Cb 0.17 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.54 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 4.80 -0.30 2.62 0.11 -1.26 -3.28 120.40 123.08 2ett s VAL 105 Ca 0.00 0.95 -0.43 0.00 -2.93 0.00 0.00 61.98 59.57 2ett s VAL 105 Cb 0.00 -4.15 -0.19 0.00 -1.53 0.00 0.00 36.38 30.52 2ett s VAL 105 CO 0.00 -0.32 1.53 -2.65 -3.33 0.00 0.00 175.10 170.33 2ett n PRO 106 N 6.23 0.41 0.14 1.54 -0.02 -1.26 -4.82 135.00 137.22 2ett n PRO 106 Ca 0.02 0.15 0.14 0.00 -2.02 0.00 0.00 63.50 61.80 2ett n PRO 106 Cb 0.48 -1.71 0.69 0.00 -0.02 0.00 0.00 33.50 32.94 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 5.21 0.00 0.00 -0.52 3.11 -1.93 0.18 116.57 122.63 2ett h LYS 107 Ca -0.46 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 2ett h LYS 107 Cb 1.36 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.59 2ett h LYS 107 CO 0.90 0.00 0.00 0.93 -2.81 0.00 0.00 179.45 178.47 2ett h GLU 108 N 0.00 0.00 -0.00 1.90 5.08 -1.99 -1.67 114.58 117.90 2ett h GLU 108 Ca 0.12 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.28 2ett h GLU 108 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2ett h GLU 108 CO -0.00 0.00 -0.88 1.25 -1.00 0.00 0.00 179.01 178.38 2ett h LEU 109 N 0.00 0.30 -0.98 1.33 5.85 -0.97 -0.61 115.31 120.22 2ett h LEU 109 Ca 0.00 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 2ett h LEU 109 Cb 0.47 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 2ett h LEU 109 CO 0.00 1.04 0.35 -0.07 -0.34 0.00 0.00 178.44 179.42 2ett h LEU 110 N 0.13 0.98 -0.31 2.25 4.07 -1.31 0.28 115.31 121.39 2ett h LEU 110 Ca -0.05 -0.12 -0.04 0.00 0.08 0.00 0.00 57.88 57.76 2ett h LEU 110 Cb 1.50 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.98 2ett h LEU 110 CO 0.14 0.83 -0.19 -0.33 -1.08 0.00 0.00 178.44 177.81 2ett h GLU 111 N 1.07 0.00 0.00 1.13 5.08 -1.23 0.36 114.58 120.98 2ett h GLU 111 Ca 0.26 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.43 2ett h GLU 111 Cb 0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2ett h GLU 111 CO -0.03 0.19 -1.23 0.34 -1.00 0.00 0.00 179.01 177.28 2ett n PHE 112 N -3.18 0.75 1.05 4.33 7.35 -0.25 -4.28 117.46 123.23 2ett n PHE 112 Ca 0.02 0.33 0.12 0.00 -0.76 0.00 0.00 57.45 57.16 2ett n PHE 112 Cb 0.56 -0.94 0.28 0.00 0.35 0.00 0.00 39.48 39.72 2ett n PHE 112 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2ett n LEU 113 N -4.46 0.58 -2.72 -2.13 0.00 0.88 -4.94 117.00 104.22 2ett n LEU 113 Ca -0.27 -0.04 -0.09 0.00 0.00 0.00 0.00 56.01 55.61 2ett n LEU 113 Cb 0.58 -0.23 0.04 0.00 0.00 0.00 0.00 43.42 43.81 2ett n LEU 113 CO 0.14 0.13 0.07 -1.14 0.00 0.00 0.00 177.39 176.59 2ett n ARG 114 N -1.35 -1.46 -3.62 1.96 0.63 -0.97 -5.02 116.66 106.83 2ett n ARG 114 Ca 0.07 0.74 -0.38 0.00 -0.92 0.00 0.00 57.85 57.36 2ett n ARG 114 Cb 0.34 -4.57 -0.06 0.00 0.45 0.00 0.00 32.46 28.62 2ett n ARG 114 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2ett s LEU 115 N -4.44 4.44 -0.06 6.15 1.43 0.08 -5.00 118.68 121.28 2ett s LEU 115 Ca 0.26 0.80 0.06 0.00 -1.03 0.00 0.00 54.13 54.21 2ett s LEU 115 Cb -0.03 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.76 2ett s LEU 115 CO 0.53 0.34 -0.24 -0.13 0.23 0.00 0.00 176.35 177.08 2ett s ARG 116 N -1.01 2.60 0.37 1.70 0.52 -1.26 -4.57 118.95 117.30 2ett s ARG 116 Ca 0.21 -0.89 0.00 0.00 -0.52 0.00 0.00 55.73 54.53 2ett s ARG 116 Cb -0.15 -2.16 0.00 0.00 0.52 0.00 0.00 34.95 33.16 2ett s ARG 116 CO 0.10 0.34 0.00 0.72 0.02 0.00 0.00 175.30 176.48 2ett n HIS 117 N 3.06 0.00 -3.53 -0.53 8.25 -1.26 -4.59 115.22 116.63 2ett n HIS 117 Ca -0.18 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.15 2ett n HIS 117 Cb 0.52 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.59 2ett n HIS 117 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2ett s PHE 118 N 0.00 -0.45 -0.90 4.41 0.08 -1.26 -5.08 117.98 114.78 2ett s PHE 118 Ca 0.00 0.41 -0.24 0.00 0.12 0.00 0.00 56.93 57.21 2ett s PHE 118 Cb 0.00 0.40 -0.00 0.00 -0.57 0.00 0.00 43.02 42.85 2ett s PHE 118 CO 0.00 -0.71 1.71 -1.25 -0.10 0.00 0.00 175.22 174.87 2ett s PRO 119 N -2.92 2.97 0.48 0.24 0.04 -1.26 -4.93 135.00 129.61 2ett s PRO 119 Ca -0.03 -0.47 0.05 0.00 0.04 0.00 0.00 61.00 60.60 2ett s PRO 119 Cb -0.00 -5.02 -0.02 0.00 0.04 0.00 0.00 34.50 29.51 2ett s PRO 119 CO -0.06 -2.81 0.22 0.95 0.04 0.00 0.00 177.00 175.35 2ett s THR 120 N 7.87 1.86 -0.10 1.26 -4.23 -1.26 -3.14 115.64 117.90 2ett s THR 120 Ca 0.59 -1.69 -0.07 0.00 -1.18 0.00 0.00 61.69 59.34 2ett s THR 120 Cb -0.05 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.20 2ett s THR 120 CO -0.00 0.00 0.16 1.51 -0.54 0.00 0.00 174.62 175.74 2ett s ASP 121 N -4.02 6.40 0.19 3.99 -4.77 -1.22 -4.52 116.67 112.72 2ett s ASP 121 Ca 0.31 0.47 -0.12 0.00 -3.30 0.00 0.00 52.55 49.91 2ett s ASP 121 Cb 0.01 -2.07 0.12 0.00 -1.09 0.00 0.00 42.92 39.89 2ett s ASP 121 CO 0.18 0.39 1.84 1.55 0.70 0.00 0.00 175.17 179.83 2ett h PRO 122 N 4.82 0.73 0.00 2.11 0.13 -2.00 -3.43 132.00 134.37 2ett h PRO 122 Ca -0.54 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 2ett h PRO 122 Cb 1.22 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2ett h PRO 122 CO 0.59 0.48 0.00 1.17 -0.23 0.00 0.00 178.00 180.02 2ett n LYS 123 N -4.71 0.00 -3.01 0.86 4.81 -1.26 -5.16 118.16 109.69 2ett n LYS 123 Ca 0.05 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.18 2ett n LYS 123 Cb 0.05 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.07 2ett n LYS 123 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ett s ALA 124 N 0.00 3.40 -0.76 3.14 0.00 -1.26 -4.98 121.76 121.30 2ett s ALA 124 Ca 0.00 -0.23 -0.26 0.00 0.00 0.00 0.00 51.96 51.47 2ett s ALA 124 Cb 0.00 -2.63 -0.01 0.00 0.00 0.00 0.00 23.12 20.49 2ett s ALA 124 CO 0.00 0.12 1.69 0.45 0.00 0.00 0.00 175.76 178.02 2ett s SER 125 N -2.97 5.60 -0.29 0.00 0.15 -1.26 -4.83 113.70 110.10 2ett s SER 125 Ca 0.50 -0.30 -0.20 0.00 0.70 0.00 0.00 55.95 56.65 2ett s SER 125 Cb -0.10 -2.55 0.15 0.00 -1.71 0.00 0.00 66.02 61.81 2ett s SER 125 CO 0.28 -2.22 1.10 0.54 1.20 0.00 0.00 173.24 174.14 2ett s ASN 126 N 6.67 -0.36 -0.30 5.45 6.03 -1.26 -5.16 114.94 126.01 2ett s ASN 126 Ca 0.58 0.62 -0.16 0.00 -1.03 0.00 0.00 52.86 52.86 2ett s ASN 126 Cb -0.09 0.92 0.17 0.00 -3.03 0.00 0.00 41.25 39.23 2ett s ASN 126 CO 0.11 -0.10 1.09 0.86 -2.03 0.00 0.00 177.10 177.03 2ett s TRP 127 N 0.78 -0.43 0.00 1.54 -0.00 -1.26 -5.10 118.94 114.47 2ett s TRP 127 Ca -0.03 0.78 0.00 0.00 -0.00 0.00 0.00 56.10 56.85 2ett s TRP 127 Cb -0.04 0.26 0.00 0.00 -0.00 0.00 0.00 33.47 33.69 2ett s TRP 127 CO -0.12 -0.21 0.00 0.41 -0.00 0.00 0.00 176.95 177.03