#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 0.15 -0.30 1.61 5.65 -1.26 -5.07 115.29 116.07 2ett s HIS 2 Ca 0.00 -1.25 -0.10 0.00 0.25 0.00 0.00 55.06 53.96 2ett s HIS 2 Cb 0.00 -0.60 0.18 0.00 -1.18 0.00 0.00 32.58 30.98 2ett s HIS 2 CO 0.00 -0.92 0.92 -3.38 -0.65 0.00 0.00 174.74 170.71 2ett s HIS 3 N 1.13 -0.84 0.00 3.88 0.00 -1.26 -5.03 115.29 113.18 2ett s HIS 3 Ca 0.19 0.91 0.07 0.00 -3.00 0.00 0.00 55.06 53.23 2ett s HIS 3 Cb -0.16 0.30 0.12 0.00 -4.00 0.00 0.00 32.58 28.85 2ett s HIS 3 CO -0.03 -0.46 1.03 -2.39 -1.00 0.00 0.00 174.74 171.89 2ett n HIS 4 N 5.45 0.00 -3.16 0.38 -0.00 -1.26 -5.10 115.22 111.53 2ett n HIS 4 Ca -0.05 -0.15 -0.04 0.00 -0.00 0.00 0.00 57.72 57.48 2ett n HIS 4 Cb 0.53 -0.06 0.01 0.00 -0.00 0.00 0.00 29.99 30.47 2ett n HIS 4 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2ett n HIS 5 N 0.14 -2.44 -0.81 -1.40 -0.00 -1.26 -4.75 115.22 104.71 2ett n HIS 5 Ca 0.01 -0.40 0.00 0.00 -0.00 0.00 0.00 57.72 57.33 2ett n HIS 5 Cb 0.82 -0.10 0.00 0.00 -0.00 0.00 0.00 29.99 30.71 2ett n HIS 5 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ett n HIS 6 N -1.10 0.00 -2.03 -1.40 -0.00 -1.26 -4.98 115.22 104.46 2ett n HIS 6 Ca 0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.32 2ett n HIS 6 Cb 0.11 -0.30 0.00 0.00 -0.00 0.00 0.00 29.99 29.80 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 -2.81 3.47 -3.60 4.41 -0.00 -1.26 -4.68 115.22 110.75 2ett n HIS 7 Ca 0.00 -2.92 -0.38 0.00 0.46 0.00 0.00 57.72 54.88 2ett n HIS 7 Cb 0.00 -2.35 -0.06 0.00 -0.12 0.00 0.00 29.99 27.46 2ett n HIS 7 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2ett s LEU 8 N 1.54 5.66 0.32 0.27 2.01 -1.26 -5.06 118.68 122.17 2ett s LEU 8 Ca 0.45 -3.60 -0.29 0.00 0.01 0.00 0.00 54.13 50.70 2ett s LEU 8 Cb 0.11 -1.95 -0.11 0.00 0.01 0.00 0.00 46.19 44.25 2ett s LEU 8 CO -0.04 -0.22 1.47 -0.70 1.01 0.00 0.00 176.35 177.86 2ett s GLU 9 N -1.18 4.19 -0.23 1.70 2.12 -1.26 -4.23 118.70 119.80 2ett s GLU 9 Ca 0.27 2.46 -0.07 0.00 0.36 0.00 0.00 54.97 57.99 2ett s GLU 9 Cb -0.09 -3.03 -0.03 0.00 0.26 0.00 0.00 34.13 31.25 2ett s GLU 9 CO -0.11 -0.47 0.05 -0.51 -0.54 0.00 0.00 175.26 173.67 2ett s LEU 10 N -1.33 3.40 -0.37 2.70 1.02 -1.25 -3.89 118.68 118.96 2ett s LEU 10 Ca 0.56 -0.19 -0.19 0.00 0.02 0.00 0.00 54.13 54.33 2ett s LEU 10 Cb -0.45 -1.89 0.00 0.00 0.02 0.00 0.00 46.19 43.87 2ett s LEU 10 CO 0.54 0.01 0.55 -1.61 0.02 0.00 0.00 176.35 175.86 2ett s GLU 11 N 1.34 3.54 -0.10 1.70 2.02 -0.76 -4.81 118.70 121.63 2ett s GLU 11 Ca 0.05 -0.19 0.04 0.00 0.02 0.00 0.00 54.97 54.88 2ett s GLU 11 Cb -0.15 -3.84 -0.00 0.00 0.10 0.00 0.00 34.13 30.24 2ett s GLU 11 CO 0.03 -0.74 -0.24 0.08 0.02 0.00 0.00 175.26 174.41 2ett s VAL 12 N 2.51 2.07 0.07 2.63 1.01 -1.26 -0.35 120.40 127.08 2ett s VAL 12 Ca 0.20 -1.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 2ett s VAL 12 Cb -0.15 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.46 2ett s VAL 12 CO 0.15 0.56 0.28 -1.38 0.00 0.00 0.00 175.10 174.70 2ett s HIS 13 N 0.30 -0.03 -0.59 5.22 -3.43 -0.11 -4.90 115.29 111.75 2ett s HIS 13 Ca -0.18 -0.24 -0.07 0.00 -0.80 0.00 0.00 55.06 53.78 2ett s HIS 13 Cb -0.18 0.07 0.15 0.00 -1.43 0.00 0.00 32.58 31.19 2ett s HIS 13 CO 0.09 -0.55 0.44 0.42 -2.00 0.00 0.00 174.74 173.14 2ett s ILE 14 N -3.18 4.17 0.31 -5.38 1.01 -1.26 0.16 121.20 117.03 2ett s ILE 14 Ca -0.01 -2.39 0.09 0.00 0.00 0.00 0.00 60.65 58.35 2ett s ILE 14 Cb 0.01 -3.71 0.04 0.00 0.01 0.00 0.00 42.46 38.81 2ett s ILE 14 CO -0.07 -0.85 1.72 1.55 0.00 0.00 0.00 174.94 177.28 2ett h PRO 15 N 7.75 0.10 -2.77 2.79 0.13 -1.95 -3.47 132.00 134.57 2ett h PRO 15 Ca -0.07 -0.05 0.05 0.00 -0.87 0.00 0.00 66.00 65.06 2ett h PRO 15 Cb 1.02 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.04 2ett h PRO 15 CO 0.77 0.54 0.31 -1.54 -0.23 0.00 0.00 178.00 177.84 2ett s SER 16 N -6.89 -0.40 -0.06 1.44 1.04 -1.26 -5.10 113.70 102.46 2ett s SER 16 Ca -0.03 -0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.21 2ett s SER 16 Cb 0.14 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.85 2ett s SER 16 CO 0.75 -0.99 -0.07 -0.69 0.98 0.00 0.00 173.24 173.23 2ett s VAL 17 N -3.61 0.76 0.18 5.02 1.01 -1.26 -1.85 120.40 120.65 2ett s VAL 17 Ca 0.06 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 61.86 2ett s VAL 17 Cb -0.02 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 2ett s VAL 17 CO -0.05 0.28 -0.11 -0.83 0.00 0.00 0.00 175.10 174.39 2ett s GLY 18 N 0.93 1.26 -0.95 4.51 0.00 0.28 -4.96 107.32 108.39 2ett s GLY 18 Ca -0.11 -1.59 -0.18 0.00 0.00 0.00 0.00 44.72 42.84 2ett s GLY 18 CO 0.01 -1.67 1.15 2.56 0.00 0.00 0.00 173.10 175.15 2ett s PRO 19 N -3.72 3.63 -0.02 2.90 0.04 -1.26 -0.21 135.00 136.36 2ett s PRO 19 Ca 0.20 -1.80 0.01 0.00 0.04 0.00 0.00 61.00 59.45 2ett s PRO 19 Cb 0.02 -4.93 -0.02 0.00 0.04 0.00 0.00 34.50 29.61 2ett s PRO 19 CO 0.04 -1.78 -0.01 0.39 0.04 0.00 0.00 177.00 175.68 2ett n GLU 20 N 6.53 1.19 -1.22 4.56 -0.58 -1.24 -4.95 120.64 124.94 2ett n GLU 20 Ca 0.25 0.01 -0.31 0.00 -0.42 0.00 0.00 57.16 56.69 2ett n GLU 20 Cb 0.49 -1.05 0.10 0.00 -0.57 0.00 0.00 31.44 30.41 2ett n GLU 20 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ett s ALA 21 N -2.05 2.12 0.27 0.62 0.00 -0.72 -4.98 121.76 117.03 2ett s ALA 21 Ca -0.03 0.25 -0.29 0.00 0.00 0.00 0.00 51.96 51.89 2ett s ALA 21 Cb 0.01 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 2ett s ALA 21 CO 0.06 -1.90 1.02 -1.83 0.00 0.00 0.00 175.76 173.11 2ett s GLU 22 N -4.89 4.70 -0.56 0.00 -1.05 -1.26 -4.70 118.70 110.94 2ett s GLU 22 Ca 0.62 1.63 0.01 0.00 -0.15 0.00 0.00 54.97 57.07 2ett s GLU 22 Cb -0.18 -3.17 0.14 0.00 -0.44 0.00 0.00 34.13 30.49 2ett s GLU 22 CO 0.56 0.33 0.33 0.20 0.95 0.00 0.00 175.26 177.63 2ett s GLY 23 N -1.09 2.45 0.04 -3.83 0.00 -1.26 -4.61 107.32 99.02 2ett s GLY 23 Ca 0.44 -3.24 -0.33 0.00 0.00 0.00 0.00 44.72 41.59 2ett s GLY 23 CO 0.35 1.04 1.41 -0.56 0.00 0.00 0.00 173.10 175.35 2ett h PRO 24 N 6.76 -1.09 -3.13 2.90 0.13 -1.95 -3.48 132.00 132.14 2ett h PRO 24 Ca -0.05 0.07 0.03 0.00 -0.87 0.00 0.00 66.00 65.18 2ett h PRO 24 Cb 0.92 0.25 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 2ett h PRO 24 CO 0.69 -0.72 0.17 -0.98 -0.23 0.00 0.00 178.00 176.94 2ett s ARG 25 N -5.50 1.82 -0.63 0.86 1.70 -1.26 -5.07 118.95 110.87 2ett s ARG 25 Ca -0.17 -1.12 -0.26 0.00 -0.47 0.00 0.00 55.73 53.70 2ett s ARG 25 Cb 0.02 0.59 -0.02 0.00 -0.57 0.00 0.00 34.95 34.97 2ett s ARG 25 CO 0.54 -0.82 1.85 -0.65 -1.08 0.00 0.00 175.30 175.14 2ett s GLN 26 N -3.68 2.64 0.54 3.89 -1.52 -1.26 -4.84 119.66 115.43 2ett s GLN 26 Ca 0.14 0.54 0.03 0.00 -1.95 0.00 0.00 55.36 54.13 2ett s GLN 26 Cb -0.05 -4.41 0.03 0.00 -0.22 0.00 0.00 33.01 28.36 2ett s GLN 26 CO 0.08 -2.75 0.27 0.43 -0.25 0.00 0.00 175.29 173.08 2ett n SER 27 N 12.72 3.01 -0.23 5.90 7.64 -1.26 -5.02 113.62 136.38 2ett n SER 27 Ca 0.21 -3.04 -0.00 0.00 1.01 0.00 0.00 58.87 57.04 2ett n SER 27 Cb 0.52 0.10 0.06 0.00 -1.01 0.00 0.00 64.21 63.88 2ett n SER 27 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2ett h PRO 28 N 0.00 -0.03 -5.81 1.43 0.13 -2.06 -3.37 132.00 122.30 2ett h PRO 28 Ca -0.38 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.11 2ett h PRO 28 Cb 1.29 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.37 2ett h PRO 28 CO 0.61 -0.02 -0.34 -1.21 -0.23 0.00 0.00 178.00 176.81 2ett s GLU 29 N -6.20 3.70 0.00 0.86 0.41 -1.26 -4.98 118.70 111.23 2ett s GLU 29 Ca -0.14 0.14 0.00 0.00 -0.41 0.00 0.00 54.97 54.56 2ett s GLU 29 Cb 0.20 -3.21 0.00 0.00 -1.78 0.00 0.00 34.13 29.34 2ett s GLU 29 CO 0.74 0.72 0.00 1.63 -0.49 0.00 0.00 175.26 177.85 2ett n LYS 30 N 1.96 0.84 -1.72 1.61 5.02 -1.26 -4.90 118.16 119.72 2ett n LYS 30 Ca -0.17 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.75 2ett n LYS 30 Cb 0.54 -0.73 -0.03 0.00 -0.02 0.00 0.00 35.03 34.78 2ett n LYS 30 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2ett s SER 31 N -2.76 4.79 0.00 4.39 0.01 -1.26 -4.76 113.70 114.11 2ett s SER 31 Ca 0.00 0.93 0.29 0.00 1.31 0.00 0.00 55.95 58.47 2ett s SER 31 Cb 0.00 -2.51 1.70 0.00 0.21 0.00 0.00 66.02 65.42 2ett s SER 31 CO 0.00 -2.64 2.08 0.00 0.41 0.00 0.00 173.24 173.10 2ett n HIS 32 N 14.54 0.00 -2.63 2.43 1.44 -1.26 -4.77 115.22 124.97 2ett n HIS 32 Ca 0.31 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.61 2ett n HIS 32 Cb 0.53 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.60 2ett n HIS 32 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 2ett s MET 33 N -2.00 4.61 -0.03 -1.40 0.00 -1.26 -1.75 119.30 117.47 2ett s MET 33 Ca 0.43 1.56 0.03 0.00 0.00 0.00 0.00 55.69 57.71 2ett s MET 33 Cb 0.20 -3.36 0.00 0.00 0.00 0.00 0.00 34.83 31.67 2ett s MET 33 CO 0.33 0.08 -0.11 0.54 0.00 0.00 0.00 175.02 175.85 2ett s VAL 34 N 0.23 0.96 0.11 10.11 0.11 0.71 -4.63 120.40 128.00 2ett s VAL 34 Ca 0.50 -0.46 -0.02 0.00 -2.93 0.00 0.00 61.98 59.06 2ett s VAL 34 Cb -0.25 -0.84 -0.05 0.00 -1.53 0.00 0.00 36.38 33.71 2ett s VAL 34 CO 0.31 0.29 0.30 0.72 -3.33 0.00 0.00 175.10 173.39 2ett s PHE 35 N 0.14 3.49 -0.37 1.54 -0.12 0.08 -0.55 117.98 122.19 2ett s PHE 35 Ca -0.03 0.41 -0.05 0.00 -0.05 0.00 0.00 56.93 57.21 2ett s PHE 35 Cb -0.09 -1.89 0.07 0.00 -0.63 0.00 0.00 43.02 40.48 2ett s PHE 35 CO 0.01 0.50 0.14 1.03 -0.05 0.00 0.00 175.22 176.85 2ett s ARG 36 N -2.62 2.36 -0.23 1.99 0.52 -0.77 -0.01 118.95 120.19 2ett s ARG 36 Ca 0.38 -1.47 -0.21 0.00 -0.52 0.00 0.00 55.73 53.91 2ett s ARG 36 Cb -0.12 -3.49 -0.02 0.00 0.52 0.00 0.00 34.95 31.83 2ett s ARG 36 CO 0.26 -0.85 0.67 0.14 0.02 0.00 0.00 175.30 175.55 2ett s VAL 37 N 1.28 4.96 -0.37 3.52 -7.23 0.73 -3.76 120.40 119.53 2ett s VAL 37 Ca 0.02 1.25 -0.10 0.00 -1.81 0.00 0.00 61.98 61.33 2ett s VAL 37 Cb -0.21 -3.98 0.03 0.00 0.56 0.00 0.00 36.38 32.78 2ett s VAL 37 CO -0.01 0.03 0.20 -0.70 -0.31 0.00 0.00 175.10 174.31 2ett s GLU 38 N 2.39 2.80 -0.33 4.82 2.12 0.12 0.45 118.70 131.07 2ett s GLU 38 Ca 0.29 -1.10 -0.12 0.00 0.36 0.00 0.00 54.97 54.41 2ett s GLU 38 Cb -0.16 -3.70 -0.02 0.00 0.26 0.00 0.00 34.13 30.52 2ett s GLU 38 CO 0.09 -0.70 0.21 0.08 -0.54 0.00 0.00 175.26 174.40 2ett s VAL 39 N 1.54 5.07 -0.53 3.70 1.01 -0.38 -0.94 120.40 129.87 2ett s VAL 39 Ca 0.02 -0.26 -0.22 0.00 0.00 0.00 0.00 61.98 61.51 2ett s VAL 39 Cb -0.19 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.65 2ett s VAL 39 CO 0.06 0.03 0.82 -0.22 0.00 0.00 0.00 175.10 175.79 2ett s LEU 40 N 1.69 4.42 -0.54 3.92 0.20 0.53 -0.93 118.68 127.96 2ett s LEU 40 Ca 0.06 -0.54 -0.18 0.00 0.69 0.00 0.00 54.13 54.16 2ett s LEU 40 Cb -0.17 -2.70 0.09 0.00 -0.43 0.00 0.00 46.19 42.98 2ett s LEU 40 CO 0.09 -1.09 0.62 0.00 -0.29 0.00 0.00 176.35 175.68 2ett n SER 42 N 6.02 0.00 0.00 0.00 2.88 -1.25 -1.56 113.62 119.71 2ett n SER 42 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 2ett n SER 42 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 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 0.00 -0.11 3.13 0.46 0.00 -1.26 -4.92 105.19 102.49 2ett n GLY 43 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.07 2.75 -0.12 1.61 3.00 -0.60 -5.07 118.95 120.45 2ett s ARG 44 Ca 0.00 -0.75 -0.15 0.00 0.00 0.00 0.00 55.73 54.82 2ett s ARG 44 Cb 0.00 -2.25 -0.05 0.00 0.00 0.00 0.00 34.95 32.66 2ett s ARG 44 CO 0.00 -0.03 0.36 -0.98 0.00 0.00 0.00 175.30 174.65 2ett s ARG 45 N 0.87 4.20 -0.12 3.54 1.70 -1.26 0.04 118.95 127.93 2ett s ARG 45 Ca -0.07 0.25 0.00 0.00 -0.47 0.00 0.00 55.73 55.44 2ett s ARG 45 Cb -0.15 -3.39 0.02 0.00 -0.57 0.00 0.00 34.95 30.86 2ett s ARG 45 CO -0.02 0.30 -0.11 -3.38 -1.08 0.00 0.00 175.30 171.02 2ett s HIS 46 N 0.22 1.69 -0.45 5.89 -3.43 -0.11 -4.13 115.29 114.97 2ett s HIS 46 Ca 0.20 -0.85 -0.26 0.00 -0.80 0.00 0.00 55.06 53.36 2ett s HIS 46 Cb -0.14 -1.32 0.03 0.00 -1.43 0.00 0.00 32.58 29.72 2ett s HIS 46 CO 0.07 -0.52 0.95 0.99 -2.00 0.00 0.00 174.74 174.23 2ett s THR 47 N 1.45 4.45 -0.39 -5.38 2.01 -1.26 -1.25 115.64 115.27 2ett s THR 47 Ca 0.01 0.86 -0.07 0.00 0.31 0.00 0.00 61.69 62.81 2ett s THR 47 Cb -0.13 -4.44 0.08 0.00 0.01 0.00 0.00 72.50 68.01 2ett s THR 47 CO -0.07 -0.82 0.20 -0.69 -0.69 0.00 0.00 174.62 172.56 2ett s VAL 48 N 3.80 3.82 -0.09 3.82 1.01 0.17 -4.90 120.40 128.04 2ett s VAL 48 Ca 0.38 -1.52 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 2ett s VAL 48 Cb -0.10 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 2ett s VAL 48 CO 0.26 -0.47 1.19 -2.84 0.00 0.00 0.00 175.10 173.25 2ett s PRO 49 N 1.34 4.33 -0.01 2.72 0.02 -1.26 -0.19 135.00 141.94 2ett s PRO 49 Ca 0.03 1.64 -0.07 0.00 0.02 0.00 0.00 61.00 62.61 2ett s PRO 49 Cb -0.22 -3.61 0.01 0.00 0.02 0.00 0.00 34.50 30.70 2ett s PRO 49 CO 0.00 -0.50 0.15 1.03 -0.33 0.00 0.00 177.00 177.35 2ett s ARG 50 N 2.53 0.44 0.59 5.54 0.52 0.99 -4.96 118.95 124.60 2ett s ARG 50 Ca 0.55 -0.27 -0.06 0.00 -0.52 0.00 0.00 55.73 55.43 2ett s ARG 50 Cb -0.23 0.19 0.01 0.00 0.52 0.00 0.00 34.95 35.43 2ett s ARG 50 CO 0.19 -0.10 0.90 1.03 0.02 0.00 0.00 175.30 177.35 2ett s ARG 51 N -1.10 2.89 0.50 3.54 0.52 -1.26 -0.74 118.95 123.30 2ett s ARG 51 Ca -0.12 -0.02 0.28 0.00 -0.52 0.00 0.00 55.73 55.36 2ett s ARG 51 Cb -0.06 -2.27 1.20 0.00 0.52 0.00 0.00 34.95 34.33 2ett s ARG 51 CO 0.01 -0.72 1.93 0.10 0.02 0.00 0.00 175.30 176.65 2ett h TYR 52 N -0.19 0.00 -0.13 -0.53 -0.00 -1.89 -2.22 116.97 112.00 2ett h TYR 52 Ca -0.45 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.29 2ett h TYR 52 Cb 1.26 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.98 2ett h TYR 52 CO 0.47 0.13 0.06 0.77 -0.00 0.00 0.00 178.16 179.58 2ett h SER 53 N 0.00 0.08 -0.19 0.10 0.02 -1.92 -0.72 113.55 110.92 2ett h SER 53 Ca -0.00 0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.83 2ett h SER 53 Cb 0.58 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 2ett h SER 53 CO 0.02 0.06 -0.34 -0.33 -1.14 0.00 0.00 176.83 175.10 2ett h GLU 54 N 0.13 0.70 0.15 3.45 3.07 -1.82 -2.72 114.58 117.54 2ett h GLU 54 Ca 0.06 -0.33 -0.00 0.00 -0.50 0.00 0.00 59.36 58.59 2ett h GLU 54 Cb 0.02 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 2ett h GLU 54 CO -0.05 0.93 -0.12 0.35 -1.40 0.00 0.00 179.01 178.73 2ett h PHE 55 N 0.59 -0.30 0.00 4.33 3.57 -1.07 -0.93 116.94 123.12 2ett h PHE 55 Ca 0.06 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2ett h PHE 55 Cb 0.85 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.70 2ett h PHE 55 CO 0.04 -0.18 -0.11 1.12 -2.23 0.00 0.00 178.31 176.95 2ett h HIS 56 N -0.28 0.00 0.13 0.41 2.07 -1.06 0.73 115.15 117.15 2ett h HIS 56 Ca -0.01 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 2ett h HIS 56 Cb 0.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.23 2ett h HIS 56 CO -0.10 0.11 -0.06 0.00 -3.07 0.00 0.00 177.93 174.81 2ett h ALA 57 N 1.89 -0.18 -0.68 6.11 0.00 -1.07 0.11 119.26 125.44 2ett h ALA 57 Ca -0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2ett h ALA 57 Cb 0.22 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2ett h ALA 57 CO 0.01 -0.41 0.12 1.37 0.00 0.00 0.00 179.25 180.34 2ett h LEU 58 N -0.54 1.07 -0.59 0.00 -0.00 -0.86 -2.61 115.31 111.78 2ett h LEU 58 Ca -0.02 -0.25 0.12 0.00 -0.00 0.00 0.00 57.88 57.73 2ett h LEU 58 Cb 0.43 -0.28 -0.09 0.00 -0.00 0.00 0.00 40.66 40.71 2ett h LEU 58 CO 0.03 1.05 0.06 -0.74 -0.00 0.00 0.00 178.44 178.84 2ett h HIS 59 N 1.05 0.08 0.00 0.17 2.76 -0.84 0.13 115.15 118.50 2ett h HIS 59 Ca 0.21 0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.34 2ett h HIS 59 Cb 0.43 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 2ett h HIS 59 CO 0.03 -0.09 -0.39 1.57 -1.30 0.00 0.00 177.93 177.75 2ett h LYS 60 N 0.18 0.00 0.19 5.26 2.10 -0.62 -0.29 116.57 123.39 2ett h LYS 60 Ca 0.31 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.64 2ett h LYS 60 Cb 0.48 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.84 2ett h LYS 60 CO -0.45 0.39 -1.36 -0.09 -2.00 0.00 0.00 179.45 175.94 2ett h ARG 61 N 0.00 0.57 0.00 0.07 2.43 -0.87 -3.27 114.38 113.31 2ett h ARG 61 Ca -0.00 -0.87 0.00 0.00 -0.81 0.00 0.00 59.98 58.30 2ett h ARG 61 Cb 0.85 0.31 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2ett h ARG 61 CO 0.05 1.40 0.00 -0.84 -1.51 0.00 0.00 179.97 179.07 2ett h ILE 62 N 0.21 0.00 0.00 1.20 3.07 -0.63 -2.82 117.51 118.54 2ett h ILE 62 Ca -0.22 -0.56 -0.06 0.00 1.55 0.00 0.00 64.86 65.57 2ett h ILE 62 Cb 2.05 1.50 -0.01 0.00 -0.27 0.00 0.00 36.82 40.09 2ett h ILE 62 CO 0.26 0.00 -0.28 0.07 -1.05 0.00 0.00 178.15 177.15 2ett h LYS 63 N 0.00 0.00 0.00 0.16 2.10 -1.09 0.42 116.57 118.15 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 0.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 2ett h LYS 63 CO 0.00 0.28 0.00 0.87 -2.00 0.00 0.00 179.45 178.60 2ett h LYS 64 N 0.00 0.00 0.00 0.07 1.79 -1.63 -3.40 116.57 113.40 2ett h LYS 64 Ca -0.00 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 2ett h LYS 64 Cb 0.66 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.29 2ett h LYS 64 CO 0.04 0.00 -1.38 -0.11 -1.08 0.00 0.00 179.45 176.91 2ett n LEU 65 N -2.54 1.94 0.00 2.94 0.00 0.40 -5.09 117.00 114.66 2ett n LEU 65 Ca 0.05 0.33 -0.08 0.00 0.00 0.00 0.00 56.01 56.31 2ett n LEU 65 Cb 0.46 -0.76 -0.02 0.00 0.00 0.00 0.00 43.42 43.09 2ett n LEU 65 CO 0.31 -0.06 -0.05 0.00 0.00 0.00 0.00 177.39 177.59 2ett n TYR 66 N -4.41 0.07 -2.09 1.96 0.18 0.12 -5.08 117.16 107.91 2ett n TYR 66 Ca -0.24 -0.84 -0.42 0.00 1.88 0.00 0.00 57.90 58.28 2ett n TYR 66 Cb 0.61 -0.01 -0.03 0.00 -0.38 0.00 0.00 39.34 39.53 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 -2.51 4.20 -0.22 -3.48 1.02 -1.26 -4.57 119.74 112.92 2ett s LYS 67 Ca 0.06 2.09 -0.04 0.00 0.02 0.00 0.00 55.97 58.10 2ett s LYS 67 Cb 0.00 -3.91 0.09 0.00 -0.52 0.00 0.00 37.83 33.50 2ett s LYS 67 CO 0.04 -0.80 0.20 0.08 -0.92 0.00 0.00 175.35 173.95 2ett s VAL 68 N 3.79 -0.27 0.02 3.17 1.01 -1.26 -4.73 120.40 122.14 2ett s VAL 68 Ca 0.69 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 62.44 2ett s VAL 68 Cb -0.31 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.35 2ett s VAL 68 CO 0.27 -0.30 0.02 -2.65 0.00 0.00 0.00 175.10 172.44 2ett n PRO 69 N 5.30 -0.88 -1.65 2.72 -0.02 -1.26 -4.98 135.00 134.23 2ett n PRO 69 Ca -0.05 -0.03 -0.42 0.00 -2.02 0.00 0.00 63.50 60.98 2ett n PRO 69 Cb 0.48 -0.03 0.01 0.00 -0.02 0.00 0.00 33.50 33.94 2ett n PRO 69 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2ett n ASP 70 N -3.03 1.84 -4.23 2.55 8.00 -1.26 -4.98 116.55 115.44 2ett n ASP 70 Ca 0.00 1.09 -0.19 0.00 0.71 0.00 0.00 54.79 56.40 2ett n ASP 70 Cb 0.01 -1.41 -0.11 0.00 -0.02 0.00 0.00 41.12 39.58 2ett n ASP 70 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2ett s PHE 71 N -1.22 1.39 0.37 1.24 -0.71 -1.26 -5.10 117.98 112.69 2ett s PHE 71 Ca 0.61 -0.51 -0.24 0.00 -1.04 0.00 0.00 56.93 55.75 2ett s PHE 71 Cb -0.55 -0.74 -0.10 0.00 -1.21 0.00 0.00 43.02 40.42 2ett s PHE 71 CO 0.58 0.13 1.00 -1.25 -1.34 0.00 0.00 175.22 174.33 2ett s PRO 72 N -2.32 4.33 0.48 1.99 0.04 -1.26 -5.07 135.00 133.19 2ett s PRO 72 Ca 0.05 1.40 -0.03 0.00 0.04 0.00 0.00 61.00 62.46 2ett s PRO 72 Cb -0.07 -2.59 0.10 0.00 0.04 0.00 0.00 34.50 31.98 2ett s PRO 72 CO 0.03 0.03 0.65 0.45 0.04 0.00 0.00 177.00 178.20 2ett n SER 73 N 0.09 0.56 0.13 6.66 2.88 -1.26 -4.95 113.62 117.73 2ett n SER 73 Ca 0.04 -1.54 0.12 0.00 -1.33 0.00 0.00 58.87 56.16 2ett n SER 73 Cb 0.50 -0.45 0.49 0.00 -0.75 0.00 0.00 64.21 64.00 2ett n SER 73 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2ett n LYS 74 N -2.27 0.19 -3.06 -1.46 2.85 -1.26 -4.48 118.16 108.67 2ett n LYS 74 Ca 0.10 0.42 -0.43 0.00 -1.05 0.00 0.00 58.31 57.35 2ett n LYS 74 Cb 0.34 -1.87 -0.06 0.00 -0.65 0.00 0.00 35.03 32.79 2ett n LYS 74 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 2ett s ARG 75 N -3.31 3.29 0.20 -1.58 3.52 -1.26 -5.01 118.95 114.80 2ett s ARG 75 Ca 0.04 -0.36 0.02 0.00 -0.13 0.00 0.00 55.73 55.30 2ett s ARG 75 Cb 0.09 -3.97 -0.05 0.00 -1.56 0.00 0.00 34.95 29.46 2ett s ARG 75 CO 0.39 -1.09 0.03 -0.51 -0.81 0.00 0.00 175.30 173.31 2ett s LEU 76 N 2.99 1.99 0.57 -0.88 1.43 -1.26 -5.10 118.68 118.41 2ett s LEU 76 Ca 0.24 -1.24 -0.20 0.00 -1.03 0.00 0.00 54.13 51.90 2ett s LEU 76 Cb -0.14 -0.06 -0.05 0.00 0.03 0.00 0.00 46.19 45.97 2ett s LEU 76 CO 0.19 -0.61 1.14 -2.65 0.23 0.00 0.00 176.35 174.65 2ett n PRO 77 N -0.32 1.23 -0.02 1.29 -0.02 -1.26 -4.87 135.00 131.03 2ett n PRO 77 Ca -0.04 0.46 0.09 0.00 -2.02 0.00 0.00 63.50 61.99 2ett n PRO 77 Cb 0.64 -2.33 0.47 0.00 -0.02 0.00 0.00 33.50 32.27 2ett n PRO 77 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2ett n ASN 78 N -0.82 0.36 -0.29 2.55 2.85 -1.26 -4.85 115.26 113.79 2ett n ASN 78 Ca 0.12 -1.52 -0.04 0.00 -0.11 0.00 0.00 54.58 53.03 2ett n ASN 78 Cb 0.45 -0.02 -0.02 0.00 1.24 0.00 0.00 39.78 41.43 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 -0.53 0.00 -0.03 1.20 7.02 -1.26 -4.87 117.44 118.96 2ett n TRP 79 Ca 0.13 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.46 2ett n TRP 79 Cb 0.12 -1.29 -0.12 0.00 -2.42 0.00 0.00 31.31 27.59 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 0.33 0.10 -0.36 -0.99 3.08 -1.99 -3.34 114.38 111.20 2ett h ARG 80 Ca -0.08 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.85 2ett h ARG 80 Cb 0.52 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2ett h ARG 80 CO 0.12 0.94 0.00 0.25 -1.07 0.00 0.00 179.97 180.20 2ett n THR 81 N -4.55 0.62 -4.11 2.04 -2.24 -1.26 -4.96 114.28 99.82 2ett n THR 81 Ca -0.10 -0.81 -0.15 0.00 -2.27 0.00 0.00 64.05 60.72 2ett n THR 81 Cb 0.50 0.84 -0.13 0.00 -2.10 0.00 0.00 70.33 69.43 2ett n THR 81 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2ett s ARG 82 N -1.20 0.46 0.81 -0.78 6.06 -1.26 -5.14 118.95 117.90 2ett s ARG 82 Ca 0.32 -0.42 -0.07 0.00 -2.50 0.00 0.00 55.73 53.06 2ett s ARG 82 Cb 0.18 -0.35 0.15 0.00 0.06 0.00 0.00 34.95 34.99 2ett s ARG 82 CO 0.25 0.08 1.12 0.20 -2.50 0.00 0.00 175.30 174.45 2ett s GLY 83 N -0.72 1.76 0.14 8.12 0.00 -1.26 -4.50 107.32 110.87 2ett s GLY 83 Ca -0.03 -1.50 0.25 0.00 0.00 0.00 0.00 44.72 43.45 2ett s GLY 83 CO 0.00 -0.86 1.58 1.04 0.00 0.00 0.00 173.10 174.86 2ett n LEU 84 N -3.18 0.68 -0.18 0.66 7.99 -1.26 -3.92 117.00 117.79 2ett n LEU 84 Ca 0.15 0.39 -0.00 0.00 -0.01 0.00 0.00 56.01 56.54 2ett n LEU 84 Cb 0.60 -0.27 0.09 0.00 -0.11 0.00 0.00 43.42 43.73 2ett n LEU 84 CO 0.44 -0.10 0.92 -0.33 -1.51 0.00 0.00 177.39 176.82 2ett h GLU 85 N 0.00 0.26 -0.20 3.23 5.08 -2.00 -0.42 114.58 120.54 2ett h GLU 85 Ca 0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2ett h GLU 85 Cb 0.71 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2ett h GLU 85 CO 0.00 0.17 0.02 0.37 -1.00 0.00 0.00 179.01 178.57 2ett h GLN 86 N 0.27 0.34 0.04 2.33 4.15 -1.99 -2.42 115.11 117.83 2ett h GLN 86 Ca 0.29 -0.10 0.01 0.00 0.77 0.00 0.00 58.65 59.63 2ett h GLN 86 Cb 0.41 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 2ett h GLN 86 CO -0.36 0.51 -0.12 -0.09 -1.93 0.00 0.00 178.83 176.84 2ett h ARG 87 N 0.12 -0.21 -0.28 1.69 2.43 -1.52 0.32 114.38 116.93 2ett h ARG 87 Ca 0.06 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2ett h ARG 87 Cb 0.35 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 2ett h ARG 87 CO 0.01 -0.14 0.12 0.07 -1.51 0.00 0.00 179.97 178.52 2ett h ARG 88 N -0.22 0.41 -0.02 0.20 0.11 -1.17 -2.73 114.38 110.95 2ett h ARG 88 Ca 0.03 -0.07 -0.01 0.00 0.10 0.00 0.00 59.98 60.03 2ett h ARG 88 Cb 0.25 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.26 2ett h ARG 88 CO -0.09 0.42 -0.01 0.37 0.10 0.00 0.00 179.97 180.76 2ett h GLN 89 N 0.30 0.05 0.06 0.08 4.15 -1.12 -0.82 115.11 117.81 2ett h GLN 89 Ca 0.09 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 2ett h GLN 89 Cb 0.15 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.84 2ett h GLN 89 CO -0.01 0.43 -0.03 0.78 -1.93 0.00 0.00 178.83 178.07 2ett h GLY 90 N -0.33 -0.08 1.24 2.39 0.00 -0.44 -0.22 103.07 105.63 2ett h GLY 90 Ca 0.01 0.03 -0.11 0.00 0.00 0.00 0.00 47.33 47.25 2ett h GLY 90 CO 0.00 -0.03 -0.16 1.41 0.00 0.00 0.00 176.54 177.77 2ett h LEU 91 N -0.08 0.88 -0.10 3.11 -0.00 -1.55 -2.54 115.31 115.04 2ett h LEU 91 Ca -0.01 -0.30 0.02 0.00 -0.00 0.00 0.00 57.88 57.59 2ett h LEU 91 Cb 0.07 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.47 2ett h LEU 91 CO 0.01 1.04 -0.02 -0.08 -0.00 0.00 0.00 178.44 179.38 2ett h GLU 92 N 0.78 0.00 -0.62 1.13 4.81 -0.82 0.24 114.58 120.10 2ett h GLU 92 Ca 0.12 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 2ett h GLU 92 Cb 0.69 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 2ett h GLU 92 CO 0.05 0.00 0.26 0.00 -0.73 0.00 0.00 179.01 178.59 2ett h ALA 93 N 1.10 1.30 0.11 2.92 0.00 -0.95 0.27 119.26 124.01 2ett h ALA 93 Ca 0.05 -0.15 -0.28 0.00 0.00 0.00 0.00 54.91 54.52 2ett h ALA 93 Cb 0.07 -0.25 0.03 0.00 0.00 0.00 0.00 17.79 17.64 2ett h ALA 93 CO -0.10 0.53 -1.17 -0.92 0.00 0.00 0.00 179.25 177.59 2ett h TYR 94 N 0.88 0.96 -0.38 0.00 3.20 -1.09 -1.39 116.97 119.15 2ett h TYR 94 Ca 0.21 -0.60 -0.13 0.00 3.14 0.00 0.00 58.73 61.35 2ett h TYR 94 Cb 0.15 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 2ett h TYR 94 CO 0.01 1.45 -0.27 0.82 -1.64 0.00 0.00 178.16 178.53 2ett h ILE 95 N 0.20 1.28 -0.40 1.81 2.04 -0.21 -1.29 117.51 120.94 2ett h ILE 95 Ca -0.18 -1.41 -0.09 0.00 1.00 0.00 0.00 64.86 64.18 2ett h ILE 95 Cb 1.86 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 39.20 2ett h ILE 95 CO 0.22 0.47 -0.14 -0.61 0.00 0.00 0.00 178.15 178.10 2ett h GLN 96 N 0.68 0.72 0.79 2.37 -0.00 -0.52 -1.45 115.11 117.69 2ett h GLN 96 Ca 0.08 -0.24 -0.04 0.00 -0.00 0.00 0.00 58.65 58.45 2ett h GLN 96 Cb 0.80 -0.06 0.01 0.00 0.00 0.00 0.00 27.48 28.23 2ett h GLN 96 CO 0.07 0.82 -0.39 0.78 0.00 0.00 0.00 178.83 180.11 2ett h GLY 97 N 0.97 -1.13 1.42 2.39 0.00 -0.69 0.04 103.07 106.07 2ett h GLY 97 Ca 0.11 0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.87 2ett h GLY 97 CO 0.04 -0.41 0.39 0.16 0.00 0.00 0.00 176.54 176.72 2ett h ILE 98 N -1.08 1.15 0.00 2.60 3.07 -1.22 -0.03 117.51 122.00 2ett h ILE 98 Ca -0.11 -0.28 -0.05 0.00 1.55 0.00 0.00 64.86 65.98 2ett h ILE 98 Cb 0.83 0.29 -0.01 0.00 -0.27 0.00 0.00 36.82 37.66 2ett h ILE 98 CO 0.17 0.15 -0.22 0.25 -1.05 0.00 0.00 178.15 177.44 2ett h LEU 99 N 0.80 0.00 -0.37 0.16 6.46 -1.10 -2.58 115.31 118.68 2ett h LEU 99 Ca 0.22 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 2ett h LEU 99 Cb -0.09 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.84 2ett h LEU 99 CO -0.05 0.22 -0.68 0.00 -0.62 0.00 0.00 178.44 177.31 2ett n TYR 100 N -3.30 0.00 0.02 1.25 9.36 -0.01 -3.12 117.16 121.35 2ett n TYR 100 Ca 0.01 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.18 2ett n TYR 100 Cb 0.47 -0.05 -0.03 0.00 -0.63 0.00 0.00 39.34 39.10 2ett n TYR 100 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2ett h LEU 101 N 0.90 -0.13 0.00 2.98 3.38 -0.63 -3.48 115.31 118.32 2ett h LEU 101 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2ett h LEU 101 Cb 0.58 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2ett h LEU 101 CO 0.00 0.42 0.00 -3.20 0.09 0.00 0.00 178.44 175.75 2ett n ASN 102 N -4.86 -1.87 -0.37 -0.43 2.85 -1.21 -4.94 115.26 104.43 2ett n ASN 102 Ca -0.04 0.60 0.09 0.00 -0.11 0.00 0.00 54.58 55.12 2ett n ASN 102 Cb 0.14 1.88 0.37 0.00 1.24 0.00 0.00 39.78 43.41 2ett n ASN 102 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 2ett n GLN 103 N -3.32 1.48 0.00 1.20 7.27 -1.26 -4.98 117.38 117.77 2ett n GLN 103 Ca 0.00 -0.72 0.00 0.00 0.07 0.00 0.00 57.00 56.35 2ett n GLN 103 Cb 0.00 -1.32 0.00 0.00 2.41 0.00 0.00 30.24 31.33 2ett n GLN 103 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 2ett n GLU 104 N -0.03 0.00 -2.57 3.69 0.28 -1.18 -4.27 120.64 116.56 2ett n GLU 104 Ca 0.14 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.71 2ett n GLU 104 Cb 0.23 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.07 2ett n GLU 104 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2ett s VAL 105 N 0.00 4.41 -0.21 3.84 0.11 -1.26 -4.00 120.40 123.28 2ett s VAL 105 Ca 0.00 1.63 -0.41 0.00 -2.93 0.00 0.00 61.98 60.27 2ett s VAL 105 Cb 0.00 -4.31 -0.18 0.00 -1.53 0.00 0.00 36.38 30.36 2ett s VAL 105 CO 0.00 -0.43 1.49 -2.65 -3.33 0.00 0.00 175.10 170.18 2ett n PRO 106 N 6.92 0.59 0.25 1.54 -0.02 -1.26 -4.81 135.00 138.20 2ett n PRO 106 Ca 0.13 0.21 0.13 0.00 -2.02 0.00 0.00 63.50 61.95 2ett n PRO 106 Cb 0.47 -1.80 0.79 0.00 -0.02 0.00 0.00 33.50 32.93 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 5.20 0.00 0.00 -0.52 3.11 -1.91 0.14 116.57 122.58 2ett h LYS 107 Ca -0.47 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.26 2ett h LYS 107 Cb 1.36 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.57 2ett h LYS 107 CO 0.87 0.00 -0.55 1.49 -2.81 0.00 0.00 179.45 178.45 2ett h GLU 108 N 0.00 0.00 -0.02 1.90 4.81 -1.97 0.64 114.58 119.94 2ett h GLU 108 Ca 0.03 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.02 2ett h GLU 108 Cb 0.14 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.53 2ett h GLU 108 CO -0.00 0.55 -0.96 1.25 -0.73 0.00 0.00 179.01 179.12 2ett h LEU 109 N 0.00 0.75 -0.56 1.64 5.85 -1.12 0.11 115.31 121.98 2ett h LEU 109 Ca -0.01 -0.58 0.07 0.00 0.84 0.00 0.00 57.88 58.20 2ett h LEU 109 Cb 1.03 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.78 2ett h LEU 109 CO 0.07 1.38 0.24 0.25 -0.34 0.00 0.00 178.44 180.04 2ett h LEU 110 N 0.34 0.30 -0.47 2.25 7.12 -1.02 -1.02 115.31 122.80 2ett h LEU 110 Ca -0.10 0.05 0.00 0.00 0.13 0.00 0.00 57.88 57.97 2ett h LEU 110 Cb 1.60 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.74 2ett h LEU 110 CO 0.18 0.20 0.00 -0.08 -0.13 0.00 0.00 178.44 178.61 2ett h GLU 111 N 0.46 0.00 0.08 1.25 4.81 -0.54 0.53 114.58 121.16 2ett h GLU 111 Ca 0.27 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.26 2ett h GLU 111 Cb 0.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2ett h GLU 111 CO -0.23 0.00 -1.25 0.35 -0.73 0.00 0.00 179.01 177.14 2ett h PHE 112 N 0.00 0.30 -0.31 0.92 3.57 0.50 -3.37 116.94 118.54 2ett h PHE 112 Ca 0.00 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.28 2ett h PHE 112 Cb 0.83 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.56 2ett h PHE 112 CO 0.00 1.49 0.00 1.28 -2.23 0.00 0.00 178.31 178.85 2ett n LEU 113 N -4.09 3.16 -3.17 0.59 4.32 -0.78 -4.95 117.00 112.08 2ett n LEU 113 Ca -0.25 -2.28 -0.16 0.00 -0.02 0.00 0.00 56.01 53.29 2ett n LEU 113 Cb 0.81 -0.31 0.08 0.00 -1.62 0.00 0.00 43.42 42.38 2ett n LEU 113 CO 0.35 0.71 0.12 -1.14 -1.22 0.00 0.00 177.39 176.21 2ett n ARG 114 N 0.20 -6.06 0.00 3.23 0.63 -1.00 -4.88 116.66 108.77 2ett n ARG 114 Ca 0.14 0.75 0.01 0.00 -0.92 0.00 0.00 57.85 57.83 2ett n ARG 114 Cb 0.55 -5.49 0.09 0.00 0.45 0.00 0.00 32.46 28.06 2ett n ARG 114 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2ett n LEU 115 N -3.88 0.00 -4.68 6.15 4.77 0.14 -4.52 117.00 114.98 2ett n LEU 115 Ca -0.22 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.34 2ett n LEU 115 Cb 0.64 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 2ett n LEU 115 CO 0.55 0.00 0.69 0.00 -1.33 0.00 0.00 177.39 177.30 2ett s ARG 116 N -2.00 4.33 -1.83 3.23 1.70 -1.26 -3.21 118.95 119.92 2ett s ARG 116 Ca 0.04 1.16 0.00 0.00 -0.47 0.00 0.00 55.73 56.46 2ett s ARG 116 Cb 0.02 -3.57 0.00 0.00 -0.57 0.00 0.00 34.95 30.83 2ett s ARG 116 CO 0.03 -0.35 0.00 1.58 -1.08 0.00 0.00 175.30 175.49 2ett n HIS 117 N 5.24 -0.79 -2.14 5.89 -0.00 -1.26 -4.90 115.22 117.26 2ett n HIS 117 Ca 0.06 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.36 2ett n HIS 117 Cb 0.49 -3.75 -0.03 0.00 -0.00 0.00 0.00 29.99 26.69 2ett n HIS 117 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 2ett s PHE 118 N -2.93 2.71 1.00 1.57 2.19 -1.20 -5.00 117.98 116.33 2ett s PHE 118 Ca 0.00 0.66 -0.16 0.00 0.33 0.00 0.00 56.93 57.76 2ett s PHE 118 Cb 0.00 -3.75 0.20 0.00 -1.31 0.00 0.00 43.02 38.16 2ett s PHE 118 CO 0.00 -2.87 1.24 -1.25 1.83 0.00 0.00 175.22 174.16 2ett s PRO 119 N 2.51 0.34 -0.01 10.12 0.04 -1.26 -4.92 135.00 141.83 2ett s PRO 119 Ca 0.67 -0.20 -0.27 0.00 0.04 0.00 0.00 61.00 61.24 2ett s PRO 119 Cb -0.34 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2ett s PRO 119 CO 0.28 -2.65 0.85 0.95 0.04 0.00 0.00 177.00 176.47 2ett s THR 120 N -3.58 4.88 -0.44 1.26 -4.23 -1.26 -4.72 115.64 107.56 2ett s THR 120 Ca 0.71 1.78 -0.21 0.00 -1.18 0.00 0.00 61.69 62.79 2ett s THR 120 Cb -0.07 -4.19 0.02 0.00 1.34 0.00 0.00 72.50 69.60 2ett s THR 120 CO 0.53 0.24 0.67 -0.62 -0.54 0.00 0.00 174.62 174.90 2ett s ASP 121 N 0.69 6.34 -0.71 3.99 -1.08 -1.26 -5.00 116.67 119.64 2ett s ASP 121 Ca 0.45 -0.31 -0.27 0.00 -0.52 0.00 0.00 52.55 51.90 2ett s ASP 121 Cb -0.20 -2.33 0.02 0.00 -1.46 0.00 0.00 42.92 38.95 2ett s ASP 121 CO 0.24 -0.81 1.41 -2.16 0.52 0.00 0.00 175.17 174.38 2ett s PRO 122 N 2.90 3.06 -0.30 4.34 0.04 -1.26 -4.86 135.00 138.92 2ett s PRO 122 Ca 0.24 -0.05 -0.11 0.00 0.04 0.00 0.00 61.00 61.12 2ett s PRO 122 Cb -0.14 -4.23 0.17 0.00 0.04 0.00 0.00 34.50 30.34 2ett s PRO 122 CO 0.20 -2.29 0.90 0.21 0.04 0.00 0.00 177.00 176.06 2ett s LYS 123 N 6.03 0.34 -0.23 4.56 2.20 -1.26 -5.14 119.74 126.25 2ett s LYS 123 Ca 0.42 0.71 -0.03 0.00 -0.36 0.00 0.00 55.97 56.71 2ett s LYS 123 Cb -0.09 0.41 0.11 0.00 -1.51 0.00 0.00 37.83 36.75 2ett s LYS 123 CO 0.16 -0.26 0.29 0.00 -0.36 0.00 0.00 175.35 175.18 2ett s ALA 124 N 2.75 -0.63 -0.34 3.13 0.00 -1.26 -5.11 121.76 120.30 2ett s ALA 124 Ca 0.03 0.50 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 2ett s ALA 124 Cb -0.10 -1.50 0.08 0.00 0.00 0.00 0.00 23.12 21.60 2ett s ALA 124 CO -0.16 -1.26 0.06 0.45 0.00 0.00 0.00 175.76 174.85 2ett s SER 125 N 2.42 4.95 -0.28 0.00 0.15 -1.26 -5.03 113.70 114.66 2ett s SER 125 Ca 0.09 -1.64 -0.07 0.00 0.70 0.00 0.00 55.95 55.03 2ett s SER 125 Cb -0.15 -1.72 0.13 0.00 -1.71 0.00 0.00 66.02 62.56 2ett s SER 125 CO -0.15 -0.36 0.58 0.21 1.20 0.00 0.00 173.24 174.72 2ett s ASN 126 N 1.36 -0.92 -0.35 5.45 3.84 -1.26 -5.11 114.94 117.95 2ett s ASN 126 Ca 0.01 1.25 0.01 0.00 0.21 0.00 0.00 52.86 54.34 2ett s ASN 126 Cb -0.21 2.01 0.11 0.00 -0.55 0.00 0.00 41.25 42.62 2ett s ASN 126 CO -0.03 -0.23 0.14 0.86 -2.79 0.00 0.00 177.10 175.04 2ett s TRP 127 N 2.81 1.92 0.00 0.43 -0.11 -1.26 -5.33 118.94 117.40 2ett s TRP 127 Ca 0.01 -2.05 0.00 0.00 1.22 0.00 0.00 56.10 55.28 2ett s TRP 127 Cb -0.13 -1.84 0.00 0.00 -1.50 0.00 0.00 33.47 30.00 2ett s TRP 127 CO -0.18 -0.85 0.00 0.41 -4.62 0.00 0.00 176.95 171.71