#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ett s HIS 2 N 0.00 2.92 -0.08 1.61 5.65 -1.26 -3.98 115.29 120.15 2ett s HIS 2 Ca 0.00 1.20 -0.01 0.00 0.25 0.00 0.00 55.06 56.49 2ett s HIS 2 Cb 0.00 -3.82 0.00 0.00 -1.18 0.00 0.00 32.58 27.58 2ett s HIS 2 CO 0.00 -2.47 0.05 0.72 -0.65 0.00 0.00 174.74 172.39 2ett n HIS 3 N 1.32 -0.88 -2.31 3.88 -0.00 -1.26 -4.94 115.22 111.03 2ett n HIS 3 Ca 0.03 0.38 -0.43 0.00 -0.00 0.00 0.00 57.72 57.70 2ett n HIS 3 Cb 0.40 -2.09 -0.02 0.00 -0.00 0.00 0.00 29.99 28.28 2ett n HIS 3 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2ett s HIS 4 N -0.76 2.29 -1.01 4.41 -3.43 -1.26 -4.93 115.29 110.60 2ett s HIS 4 Ca 0.02 0.63 -0.16 0.00 -0.80 0.00 0.00 55.06 54.75 2ett s HIS 4 Cb -0.01 -4.31 0.17 0.00 -1.43 0.00 0.00 32.58 27.01 2ett s HIS 4 CO 0.18 -2.08 1.16 -1.01 -2.00 0.00 0.00 174.74 170.99 2ett s HIS 5 N 5.85 3.43 -0.07 0.38 0.09 -1.26 -4.91 115.29 118.81 2ett s HIS 5 Ca 0.61 -1.82 -0.04 0.00 -0.00 0.00 0.00 55.06 53.82 2ett s HIS 5 Cb -0.14 -4.18 0.03 0.00 -0.00 0.00 0.00 32.58 28.29 2ett s HIS 5 CO 0.31 -1.34 0.16 -1.01 -0.00 0.00 0.00 174.74 172.86 2ett s HIS 6 N 1.63 -0.18 -0.07 1.40 3.76 -1.26 -4.98 115.29 115.58 2ett s HIS 6 Ca 0.33 0.50 -0.05 0.00 -0.15 0.00 0.00 55.06 55.69 2ett s HIS 6 Cb -0.05 -0.03 0.02 0.00 1.11 0.00 0.00 32.58 33.62 2ett s HIS 6 CO -0.06 -0.15 0.09 0.72 -0.85 0.00 0.00 174.74 174.49 2ett n HIS 7 N 3.90 -1.74 -0.18 1.40 -0.00 -1.26 -4.83 115.22 112.51 2ett n HIS 7 Ca -0.23 1.02 0.07 0.00 -0.00 0.00 0.00 57.72 58.57 2ett n HIS 7 Cb 0.54 -2.45 0.28 0.00 -0.00 0.00 0.00 29.99 28.36 2ett n HIS 7 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 2ett n LEU 8 N 0.66 3.98 -4.56 2.41 7.94 -1.26 -4.34 117.00 121.83 2ett n LEU 8 Ca -0.16 -2.01 -0.39 0.00 -1.11 0.00 0.00 56.01 52.35 2ett n LEU 8 Cb 0.25 -0.54 -0.03 0.00 0.53 0.00 0.00 43.42 43.62 2ett n LEU 8 CO 0.15 0.61 1.41 -1.61 -1.11 0.00 0.00 177.39 176.83 2ett s GLU 9 N -1.94 3.31 -0.15 1.96 8.01 -1.26 -4.90 118.70 123.72 2ett s GLU 9 Ca 0.39 -0.75 -0.01 0.00 0.01 0.00 0.00 54.97 54.62 2ett s GLU 9 Cb 0.27 -5.05 0.04 0.00 -4.31 0.00 0.00 34.13 25.08 2ett s GLU 9 CO 0.17 -2.41 -0.04 -0.51 0.01 0.00 0.00 175.26 172.48 2ett s LEU 10 N 6.11 1.46 -0.00 1.80 1.02 -1.26 -2.63 118.68 125.17 2ett s LEU 10 Ca 0.49 -0.59 0.01 0.00 0.02 0.00 0.00 54.13 54.06 2ett s LEU 10 Cb -0.03 -0.85 -0.00 0.00 0.02 0.00 0.00 46.19 45.33 2ett s LEU 10 CO -0.03 -0.19 -0.05 -1.61 0.02 0.00 0.00 176.35 174.50 2ett s GLU 11 N 1.68 0.39 -0.05 1.70 2.02 -0.90 -4.98 118.70 118.57 2ett s GLU 11 Ca 0.01 -0.19 -0.00 0.00 0.02 0.00 0.00 54.97 54.81 2ett s GLU 11 Cb -0.15 -0.37 0.03 0.00 0.10 0.00 0.00 34.13 33.74 2ett s GLU 11 CO -0.08 0.10 -0.01 0.08 0.02 0.00 0.00 175.26 175.38 2ett s VAL 12 N -0.16 0.30 0.05 2.63 1.01 -1.26 0.31 120.40 123.28 2ett s VAL 12 Ca 0.01 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.97 2ett s VAL 12 Cb -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.96 2ett s VAL 12 CO -0.00 0.20 0.21 -1.38 0.00 0.00 0.00 175.10 174.13 2ett s HIS 13 N 1.37 0.06 -0.57 5.22 -3.43 -0.48 -4.70 115.29 112.75 2ett s HIS 13 Ca -0.05 -0.32 -0.10 0.00 -0.80 0.00 0.00 55.06 53.79 2ett s HIS 13 Cb -0.13 -0.02 0.15 0.00 -1.43 0.00 0.00 32.58 31.15 2ett s HIS 13 CO -0.02 -0.47 0.46 0.42 -2.00 0.00 0.00 174.74 173.13 2ett s ILE 14 N -2.90 4.55 0.48 -5.38 1.01 -1.26 -0.19 121.20 117.51 2ett s ILE 14 Ca -0.02 -2.03 0.14 0.00 0.00 0.00 0.00 60.65 58.74 2ett s ILE 14 Cb 0.00 -3.94 0.24 0.00 0.01 0.00 0.00 42.46 38.77 2ett s ILE 14 CO -0.06 -0.85 2.08 1.55 0.00 0.00 0.00 174.94 177.66 2ett h PRO 15 N 8.20 0.06 -1.66 2.79 0.13 -1.93 -3.46 132.00 136.14 2ett h PRO 15 Ca -0.14 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 65.06 2ett h PRO 15 Cb 1.05 -0.01 -0.22 0.00 0.13 0.00 0.00 31.00 31.95 2ett h PRO 15 CO 0.85 0.11 0.52 -1.54 -0.23 0.00 0.00 178.00 177.70 2ett s SER 16 N -7.01 -0.39 0.05 1.44 1.04 -1.26 -5.03 113.70 102.54 2ett s SER 16 Ca -0.05 0.39 0.04 0.00 0.48 0.00 0.00 55.95 56.81 2ett s SER 16 Cb 0.17 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 2ett s SER 16 CO 0.69 -0.39 -0.04 -0.69 0.98 0.00 0.00 173.24 173.79 2ett s VAL 17 N -1.31 3.82 -0.07 5.02 1.01 -1.26 -1.58 120.40 126.03 2ett s VAL 17 Ca -0.02 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 60.85 2ett s VAL 17 Cb -0.00 -2.74 0.05 0.00 0.00 0.00 0.00 36.38 33.68 2ett s VAL 17 CO 0.01 0.26 0.52 -0.83 0.00 0.00 0.00 175.10 175.06 2ett s GLY 18 N -1.85 -0.39 -0.35 4.51 0.00 0.38 -4.98 107.32 104.65 2ett s GLY 18 Ca 0.21 1.03 -0.29 0.00 0.00 0.00 0.00 44.72 45.67 2ett s GLY 18 CO 0.12 0.75 1.60 2.56 0.00 0.00 0.00 173.10 178.14 2ett s PRO 19 N -0.89 3.50 0.14 2.90 0.04 -1.26 -0.39 135.00 139.05 2ett s PRO 19 Ca -0.09 1.25 -0.20 0.00 0.04 0.00 0.00 61.00 61.99 2ett s PRO 19 Cb -0.03 -4.10 -0.07 0.00 0.04 0.00 0.00 34.50 30.34 2ett s PRO 19 CO 0.06 -1.65 0.66 -2.00 0.04 0.00 0.00 177.00 174.11 2ett s GLU 20 N 5.21 4.29 -0.82 4.56 2.56 -0.80 -4.91 118.70 128.79 2ett s GLU 20 Ca 0.71 0.86 -0.26 0.00 0.00 0.00 0.00 54.97 56.28 2ett s GLU 20 Cb -0.19 -3.12 0.03 0.00 2.00 0.00 0.00 34.13 32.85 2ett s GLU 20 CO 0.33 0.54 1.44 0.00 -0.56 0.00 0.00 175.26 177.00 2ett s ALA 21 N -1.26 2.60 0.28 6.30 0.00 -1.26 -4.61 121.76 123.81 2ett s ALA 21 Ca 0.35 -1.56 0.02 0.00 0.00 0.00 0.00 51.96 50.78 2ett s ALA 21 Cb -0.19 -4.36 -0.05 0.00 0.00 0.00 0.00 23.12 18.51 2ett s ALA 21 CO 0.21 -3.55 0.09 -1.83 0.00 0.00 0.00 175.76 170.68 2ett s GLU 22 N 5.75 1.50 -0.45 0.00 -1.05 -1.26 -5.11 118.70 118.07 2ett s GLU 22 Ca 0.44 -1.82 0.02 0.00 -0.15 0.00 0.00 54.97 53.46 2ett s GLU 22 Cb -0.06 -0.45 0.20 0.00 -0.44 0.00 0.00 34.13 33.38 2ett s GLU 22 CO 0.07 -0.27 0.88 0.20 0.95 0.00 0.00 175.26 177.09 2ett s GLY 23 N -3.37 -1.52 0.00 -3.83 0.00 -1.26 -5.03 107.32 92.30 2ett s GLY 23 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 45.08 2ett s GLY 23 CO 0.14 3.92 0.00 -1.55 0.00 0.00 0.00 173.10 175.61 2ett n PRO 24 N 2.82 1.92 -1.93 2.90 -0.04 -1.26 -5.07 135.00 134.34 2ett n PRO 24 Ca 0.15 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.33 2ett n PRO 24 Cb 0.60 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.15 2ett n PRO 24 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2ett s ARG 25 N 0.51 1.91 -0.35 0.54 0.52 -1.26 -4.90 118.95 115.92 2ett s ARG 25 Ca 0.00 0.04 -0.28 0.00 -0.52 0.00 0.00 55.73 54.97 2ett s ARG 25 Cb 0.00 -1.97 -0.07 0.00 0.52 0.00 0.00 34.95 33.43 2ett s ARG 25 CO 0.00 -1.61 2.30 1.04 0.02 0.00 0.00 175.30 177.05 2ett n GLN 26 N -3.30 1.48 -3.98 3.54 1.13 -1.26 -4.93 117.38 110.05 2ett n GLN 26 Ca 0.08 0.31 -0.23 0.00 -1.94 0.00 0.00 57.00 55.22 2ett n GLN 26 Cb 0.61 -3.16 -0.03 0.00 0.11 0.00 0.00 30.24 27.77 2ett n GLN 26 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2ett s SER 27 N 9.55 6.20 0.64 1.08 0.01 -1.26 -5.01 113.70 124.92 2ett s SER 27 Ca 1.02 0.06 0.41 0.00 1.31 0.00 0.00 55.95 58.75 2ett s SER 27 Cb -0.38 -1.81 2.25 0.00 0.21 0.00 0.00 66.02 66.30 2ett s SER 27 CO 0.34 -0.02 2.33 -0.65 0.41 0.00 0.00 173.24 175.66 2ett h PRO 28 N 1.61 0.00 0.00 12.44 0.11 -2.00 -3.09 132.00 141.08 2ett h PRO 28 Ca -0.50 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 2ett h PRO 28 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2ett h PRO 28 CO 0.64 0.00 -0.20 0.93 -0.21 0.00 0.00 178.00 179.16 2ett h GLU 29 N 0.00 0.00 0.00 1.05 4.39 -1.98 -3.47 114.58 114.57 2ett h GLU 29 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ett h GLU 29 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2ett h GLU 29 CO 0.00 0.65 0.00 1.63 -1.16 0.00 0.00 179.01 180.13 2ett n LYS 30 N -4.64 0.00 -1.79 2.33 5.02 -1.17 -4.90 118.16 113.02 2ett n LYS 30 Ca -0.10 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.78 2ett n LYS 30 Cb 0.36 -0.07 -0.03 0.00 -0.02 0.00 0.00 35.03 35.26 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 0.00 5.45 -1.27 4.39 0.01 -1.26 -4.87 113.70 116.14 2ett s SER 31 Ca 0.00 1.39 -0.19 0.00 1.31 0.00 0.00 55.95 58.45 2ett s SER 31 Cb 0.00 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.74 2ett s SER 31 CO 0.00 -2.05 1.79 -1.38 0.41 0.00 0.00 173.24 172.01 2ett s HIS 32 N 8.44 2.55 -0.02 2.43 -3.43 -1.26 -4.87 115.29 119.13 2ett s HIS 32 Ca 0.89 -1.03 -0.00 0.00 -0.80 0.00 0.00 55.06 54.11 2ett s HIS 32 Cb -0.24 -4.54 0.02 0.00 -1.43 0.00 0.00 32.58 26.38 2ett s HIS 32 CO 0.32 -1.64 0.03 -1.64 -2.00 0.00 0.00 174.74 169.81 2ett s MET 33 N 4.87 -0.03 -0.03 -0.38 -1.94 -1.26 -1.90 119.30 118.63 2ett s MET 33 Ca 0.58 0.16 0.07 0.00 -1.71 0.00 0.00 55.69 54.79 2ett s MET 33 Cb 0.03 -0.19 -0.02 0.00 2.01 0.00 0.00 34.83 36.65 2ett s MET 33 CO 0.09 -0.13 -0.24 0.14 -0.01 0.00 0.00 175.02 174.88 2ett s VAL 34 N 0.85 2.26 -0.18 -6.03 -7.23 0.48 -4.03 120.40 106.52 2ett s VAL 34 Ca -0.07 -1.03 -0.06 0.00 -1.81 0.00 0.00 61.98 59.01 2ett s VAL 34 Cb -0.10 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 2ett s VAL 34 CO -0.02 0.58 0.02 0.72 -0.31 0.00 0.00 175.10 176.09 2ett s PHE 35 N -0.60 3.14 -0.57 2.82 -0.12 0.33 -0.47 117.98 122.51 2ett s PHE 35 Ca 0.09 -0.14 -0.24 0.00 -0.05 0.00 0.00 56.93 56.59 2ett s PHE 35 Cb -0.10 -2.05 0.04 0.00 -0.63 0.00 0.00 43.02 40.28 2ett s PHE 35 CO -0.00 0.01 0.97 1.03 -0.05 0.00 0.00 175.22 177.18 2ett s ARG 36 N 0.52 3.32 -0.36 1.99 3.00 -0.61 -0.58 118.95 126.22 2ett s ARG 36 Ca 0.01 -0.27 -0.23 0.00 0.00 0.00 0.00 55.73 55.23 2ett s ARG 36 Cb -0.13 -4.07 0.01 0.00 0.00 0.00 0.00 34.95 30.75 2ett s ARG 36 CO 0.02 -1.55 0.78 0.14 0.00 0.00 0.00 175.30 174.68 2ett s VAL 37 N 4.10 4.74 -0.39 3.52 -7.23 0.62 -3.53 120.40 122.22 2ett s VAL 37 Ca 0.31 0.87 -0.15 0.00 -1.81 0.00 0.00 61.98 61.20 2ett s VAL 37 Cb -0.12 -4.21 0.01 0.00 0.56 0.00 0.00 36.38 32.62 2ett s VAL 37 CO 0.19 -0.43 0.32 -0.70 -0.31 0.00 0.00 175.10 174.16 2ett s GLU 38 N 3.09 3.16 -0.31 4.82 2.12 0.73 -0.31 118.70 132.01 2ett s GLU 38 Ca 0.31 -0.83 -0.13 0.00 0.36 0.00 0.00 54.97 54.68 2ett s GLU 38 Cb -0.13 -3.92 -0.03 0.00 0.26 0.00 0.00 34.13 30.30 2ett s GLU 38 CO 0.17 -0.68 0.24 0.08 -0.54 0.00 0.00 175.26 174.53 2ett s VAL 39 N 1.80 5.27 -0.34 3.70 1.01 -0.02 -1.38 120.40 130.43 2ett s VAL 39 Ca 0.07 0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.91 2ett s VAL 39 Cb -0.18 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 2ett s VAL 39 CO 0.11 0.09 0.31 -0.22 0.00 0.00 0.00 175.10 175.39 2ett s LEU 40 N 1.79 4.50 -0.13 3.92 0.20 0.15 -0.97 118.68 128.15 2ett s LEU 40 Ca 0.08 -0.34 -0.00 0.00 0.69 0.00 0.00 54.13 54.55 2ett s LEU 40 Cb -0.17 -2.25 0.02 0.00 -0.43 0.00 0.00 46.19 43.37 2ett s LEU 40 CO 0.11 -0.30 -0.10 0.00 -0.29 0.00 0.00 176.35 175.76 2ett n SER 42 N 4.88 -5.52 0.00 0.00 7.64 -1.08 -0.92 113.62 118.62 2ett n SER 42 Ca -0.14 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.78 2ett n SER 42 Cb 0.50 -4.62 0.00 0.00 -1.01 0.00 0.00 64.21 59.08 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 -0.96 0.12 3.39 0.23 0.00 -1.14 -4.84 105.19 102.00 2ett n GLY 43 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.99 3.48 0.61 1.61 3.00 -0.10 -5.04 118.95 121.53 2ett s ARG 44 Ca 0.00 -0.60 -0.07 0.00 0.00 0.00 0.00 55.73 55.06 2ett s ARG 44 Cb 0.00 -2.90 0.00 0.00 0.00 0.00 0.00 34.95 32.06 2ett s ARG 44 CO 0.00 0.05 0.94 1.03 0.00 0.00 0.00 175.30 177.32 2ett s ARG 45 N 0.84 3.01 -0.30 3.54 1.81 -1.26 0.22 118.95 126.81 2ett s ARG 45 Ca -0.02 0.17 -0.15 0.00 -1.72 0.00 0.00 55.73 54.01 2ett s ARG 45 Cb -0.15 -2.21 0.17 0.00 -0.45 0.00 0.00 34.95 32.32 2ett s ARG 45 CO 0.01 -0.72 1.04 -3.38 -0.68 0.00 0.00 175.30 171.57 2ett s HIS 46 N -3.06 -0.56 -0.42 -0.53 -3.43 -0.14 -3.19 115.29 103.94 2ett s HIS 46 Ca 0.54 0.84 -0.25 0.00 -0.80 0.00 0.00 55.06 55.40 2ett s HIS 46 Cb -0.11 0.29 0.02 0.00 -1.43 0.00 0.00 32.58 31.35 2ett s HIS 46 CO 0.47 -0.29 0.87 0.99 -2.00 0.00 0.00 174.74 174.78 2ett s THR 47 N 2.54 4.58 -0.27 -5.38 2.01 -1.26 -0.84 115.64 117.02 2ett s THR 47 Ca -0.01 0.79 -0.02 0.00 0.31 0.00 0.00 61.69 62.76 2ett s THR 47 Cb -0.07 -4.35 0.04 0.00 0.01 0.00 0.00 72.50 68.13 2ett s THR 47 CO -0.15 -0.67 -0.03 -0.69 -0.69 0.00 0.00 174.62 172.38 2ett s VAL 48 N 3.47 2.96 0.06 3.82 1.01 0.58 -4.91 120.40 127.39 2ett s VAL 48 Ca 0.35 -1.18 -0.31 0.00 0.00 0.00 0.00 61.98 60.84 2ett s VAL 48 Cb -0.11 -2.60 -0.07 0.00 0.00 0.00 0.00 36.38 33.60 2ett s VAL 48 CO 0.22 0.05 1.49 -2.84 0.00 0.00 0.00 175.10 174.02 2ett s PRO 49 N 1.30 4.26 -0.09 2.72 0.02 -1.26 -0.28 135.00 141.67 2ett s PRO 49 Ca -0.02 2.13 -0.01 0.00 0.02 0.00 0.00 61.00 63.12 2ett s PRO 49 Cb -0.18 -3.47 0.03 0.00 0.02 0.00 0.00 34.50 30.89 2ett s PRO 49 CO -0.03 -0.59 -0.05 1.03 -0.33 0.00 0.00 177.00 177.04 2ett s ARG 50 N 2.07 1.13 0.68 5.54 1.81 0.25 -4.92 118.95 125.51 2ett s ARG 50 Ca 0.68 -0.11 -0.11 0.00 -1.72 0.00 0.00 55.73 54.47 2ett s ARG 50 Cb -0.36 -1.29 0.00 0.00 -0.45 0.00 0.00 34.95 32.85 2ett s ARG 50 CO 0.29 -0.26 1.06 0.50 -0.68 0.00 0.00 175.30 176.22 2ett s ARG 51 N 1.71 3.04 0.40 3.54 3.52 -1.26 -0.51 118.95 129.39 2ett s ARG 51 Ca 0.03 0.76 0.17 0.00 -0.13 0.00 0.00 55.73 56.56 2ett s ARG 51 Cb -0.13 -2.02 0.83 0.00 -1.56 0.00 0.00 34.95 32.07 2ett s ARG 51 CO -0.06 -0.97 1.83 -0.92 -0.81 0.00 0.00 175.30 174.37 2ett h TYR 52 N -0.62 0.00 -0.22 5.12 5.03 -1.90 -2.20 116.97 122.19 2ett h TYR 52 Ca -0.44 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 60.81 2ett h TYR 52 Cb 1.22 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.49 2ett h TYR 52 CO 0.59 0.34 -0.06 1.03 -1.32 0.00 0.00 178.16 178.74 2ett h SER 53 N 0.00 0.43 -0.62 -2.11 0.87 -1.93 -2.55 113.55 107.65 2ett h SER 53 Ca -0.00 -0.37 -0.02 0.00 -1.23 0.00 0.00 61.79 60.16 2ett h SER 53 Cb 0.69 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 2ett h SER 53 CO 0.04 0.70 0.32 -0.33 -0.53 0.00 0.00 176.83 177.04 2ett h GLU 54 N 0.15 0.90 -0.62 2.24 3.07 -1.85 -1.11 114.58 117.36 2ett h GLU 54 Ca 0.05 -0.11 0.06 0.00 -0.50 0.00 0.00 59.36 58.87 2ett h GLU 54 Cb 0.52 -0.17 -0.06 0.00 -0.84 0.00 0.00 28.75 28.20 2ett h GLU 54 CO 0.02 0.68 0.32 0.35 -1.40 0.00 0.00 179.01 178.99 2ett h PHE 55 N 0.90 0.58 -0.52 4.33 3.57 -1.24 0.65 116.94 125.21 2ett h PHE 55 Ca 0.23 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.65 2ett h PHE 55 Cb 0.07 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 2ett h PHE 55 CO 0.01 0.26 -0.07 0.45 -2.23 0.00 0.00 178.31 176.72 2ett h HIS 56 N 0.59 1.03 -0.45 0.41 3.86 -0.82 -2.06 115.15 117.71 2ett h HIS 56 Ca 0.29 -0.19 -0.12 0.00 -1.16 0.00 0.00 60.37 59.19 2ett h HIS 56 Cb 0.22 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 2ett h HIS 56 CO -0.10 0.96 -0.19 0.00 0.86 0.00 0.00 177.93 179.46 2ett h ALA 57 N 1.06 0.81 -0.06 2.45 0.00 -0.92 -1.53 119.26 121.06 2ett h ALA 57 Ca 0.14 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.70 2ett h ALA 57 Cb 0.60 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2ett h ALA 57 CO 0.04 0.65 -0.08 1.25 0.00 0.00 0.00 179.25 181.11 2ett h LEU 58 N 0.78 -0.23 -0.64 0.00 5.85 -0.70 -2.75 115.31 117.63 2ett h LEU 58 Ca 0.11 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.75 2ett h LEU 58 Cb 0.73 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2ett h LEU 58 CO 0.06 -0.11 -0.26 -0.74 -0.34 0.00 0.00 178.44 177.05 2ett h HIS 59 N -0.11 0.91 -0.27 1.25 2.76 -1.26 -2.89 115.15 115.54 2ett h HIS 59 Ca 0.05 -0.22 -0.07 0.00 -2.20 0.00 0.00 60.37 57.93 2ett h HIS 59 Cb 0.18 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 2ett h HIS 59 CO -0.17 0.96 -0.14 1.57 -1.30 0.00 0.00 177.93 178.85 2ett h LYS 60 N 0.68 0.47 0.84 5.26 2.10 -1.10 0.19 116.57 125.00 2ett h LYS 60 Ca 0.09 -0.14 -0.04 0.00 -2.00 0.00 0.00 60.65 58.56 2ett h LYS 60 Cb 0.78 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 2ett h LYS 60 CO 0.06 0.60 -0.48 0.00 -2.00 0.00 0.00 179.45 177.63 2ett h ARG 61 N 0.43 -1.18 0.00 0.07 3.08 -1.33 -3.27 114.38 112.18 2ett h ARG 61 Ca 0.08 0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2ett h ARG 61 Cb 0.50 0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.82 2ett h ARG 61 CO 0.03 -0.79 0.00 0.44 -1.07 0.00 0.00 179.97 178.58 2ett n ILE 62 N -5.53 0.02 0.05 2.04 -5.35 -1.04 -2.47 119.36 107.07 2ett n ILE 62 Ca -0.15 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 2ett n ILE 62 Cb 0.50 -0.51 0.32 0.00 -1.74 0.00 0.00 39.64 38.21 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 0.41 0.00 6.28 2.10 -0.67 0.14 116.57 124.83 2ett h LYS 63 Ca 0.00 -0.10 -0.00 0.00 -2.00 0.00 0.00 60.65 58.55 2ett h LYS 63 Cb 0.42 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2ett h LYS 63 CO 0.00 0.51 -0.02 0.87 -2.00 0.00 0.00 179.45 178.81 2ett h LYS 64 N 0.39 0.00 0.00 0.07 1.79 -1.62 -3.40 116.57 113.80 2ett h LYS 64 Ca 0.08 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.39 2ett h LYS 64 Cb 0.40 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 2ett h LYS 64 CO 0.02 0.02 -1.49 1.28 -1.08 0.00 0.00 179.45 178.20 2ett n LEU 65 N -3.11 1.94 -4.41 2.94 7.99 -0.70 -5.09 117.00 116.57 2ett n LEU 65 Ca 0.03 0.34 -0.21 0.00 -0.01 0.00 0.00 56.01 56.17 2ett n LEU 65 Cb 0.51 -0.77 -0.10 0.00 -0.11 0.00 0.00 43.42 42.95 2ett n LEU 65 CO 0.33 0.00 -0.23 -0.72 -1.51 0.00 0.00 177.39 175.26 2ett s TYR 66 N -2.75 1.74 -0.38 -1.77 -0.85 0.41 -5.09 117.35 108.65 2ett s TYR 66 Ca -0.32 -1.18 -0.29 0.00 -0.52 0.00 0.00 57.07 54.76 2ett s TYR 66 Cb 0.07 -1.07 0.02 0.00 0.38 0.00 0.00 41.96 41.37 2ett s TYR 66 CO 0.44 -0.26 1.13 0.15 -1.52 0.00 0.00 175.55 175.49 2ett s LYS 67 N -3.87 3.91 0.01 -3.49 1.02 -1.26 -4.53 119.74 111.52 2ett s LYS 67 Ca 0.34 0.89 -0.22 0.00 0.02 0.00 0.00 55.97 57.00 2ett s LYS 67 Cb 0.06 -3.83 0.05 0.00 -0.52 0.00 0.00 37.83 33.59 2ett s LYS 67 CO 0.15 -1.13 0.48 0.14 -0.92 0.00 0.00 175.35 174.07 2ett s VAL 68 N 4.09 0.04 0.96 3.17 -7.23 -1.26 -4.19 120.40 115.98 2ett s VAL 68 Ca 0.48 -0.29 -0.12 0.00 -1.81 0.00 0.00 61.98 60.24 2ett s VAL 68 Cb -0.11 -0.88 0.17 0.00 0.56 0.00 0.00 36.38 36.12 2ett s VAL 68 CO 0.23 -0.16 1.09 -2.84 -0.31 0.00 0.00 175.10 173.10 2ett s PRO 69 N -1.86 0.72 0.76 4.82 0.02 -1.26 -5.03 135.00 133.18 2ett s PRO 69 Ca -0.09 0.76 -0.10 0.00 0.02 0.00 0.00 61.00 61.59 2ett s PRO 69 Cb -0.02 -1.75 0.06 0.00 0.02 0.00 0.00 34.50 32.82 2ett s PRO 69 CO 0.03 -2.59 1.12 0.34 -0.33 0.00 0.00 177.00 175.56 2ett s ASP 70 N -3.30 4.74 0.50 2.53 2.15 -1.26 -5.02 116.67 117.01 2ett s ASP 70 Ca 0.65 0.74 -0.20 0.00 0.43 0.00 0.00 52.55 54.17 2ett s ASP 70 Cb -0.19 -1.33 -0.08 0.00 -0.30 0.00 0.00 42.92 41.02 2ett s ASP 70 CO 0.58 -1.72 1.04 0.72 -0.17 0.00 0.00 175.17 175.62 2ett s PHE 71 N -3.44 3.00 0.54 -5.34 -0.71 -1.26 -5.00 117.98 105.77 2ett s PHE 71 Ca 0.61 1.57 -0.22 0.00 -1.04 0.00 0.00 56.93 57.85 2ett s PHE 71 Cb -0.11 -3.05 -0.05 0.00 -1.21 0.00 0.00 43.02 38.60 2ett s PHE 71 CO 0.48 -0.85 1.38 -2.14 -1.34 0.00 0.00 175.22 172.75 2ett s PRO 72 N -3.33 3.14 0.67 1.99 0.02 -1.26 -4.91 135.00 131.32 2ett s PRO 72 Ca 0.67 2.28 -0.17 0.00 0.02 0.00 0.00 61.00 63.79 2ett s PRO 72 Cb -0.16 -2.28 -0.06 0.00 0.02 0.00 0.00 34.50 32.02 2ett s PRO 72 CO 0.22 -1.20 0.49 0.45 -0.33 0.00 0.00 177.00 176.62 2ett n SER 73 N -1.00 -1.28 0.14 2.53 2.88 -1.26 -4.87 113.62 110.76 2ett n SER 73 Ca 0.10 0.64 0.12 0.00 -1.33 0.00 0.00 58.87 58.40 2ett n SER 73 Cb 0.45 -1.18 0.50 0.00 -0.75 0.00 0.00 64.21 63.22 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 -0.37 0.21 -3.16 -1.46 2.85 -1.26 -4.49 118.16 110.48 2ett n LYS 74 Ca 0.10 0.43 -0.42 0.00 -1.05 0.00 0.00 58.31 57.37 2ett n LYS 74 Cb 0.49 -1.89 -0.07 0.00 -0.65 0.00 0.00 35.03 32.91 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 -3.33 3.42 0.14 -1.58 3.52 -1.26 -5.04 118.95 114.82 2ett s ARG 75 Ca 0.04 -0.27 0.06 0.00 -0.13 0.00 0.00 55.73 55.43 2ett s ARG 75 Cb 0.09 -3.89 -0.04 0.00 -1.56 0.00 0.00 34.95 29.55 2ett s ARG 75 CO 0.40 -0.85 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.39 2ett s LEU 76 N 2.63 2.43 0.88 -0.88 1.43 -1.26 -5.15 118.68 118.77 2ett s LEU 76 Ca 0.21 -0.85 -0.11 0.00 -1.03 0.00 0.00 54.13 52.35 2ett s LEU 76 Cb -0.15 -0.58 0.12 0.00 0.03 0.00 0.00 46.19 45.62 2ett s LEU 76 CO 0.16 -0.15 1.10 -2.84 0.23 0.00 0.00 176.35 174.85 2ett s PRO 77 N -2.86 1.33 0.00 1.29 0.02 -1.26 -4.90 135.00 128.62 2ett s PRO 77 Ca 0.11 1.13 0.17 0.00 0.02 0.00 0.00 61.00 62.44 2ett s PRO 77 Cb -0.04 -1.79 1.00 0.00 0.02 0.00 0.00 34.50 33.68 2ett s PRO 77 CO 0.04 -2.28 1.52 -1.71 -0.33 0.00 0.00 177.00 174.23 2ett n ASN 78 N -3.95 0.00 0.00 2.53 2.85 -1.26 -4.93 115.26 110.50 2ett n ASN 78 Ca 0.09 -1.12 0.00 0.00 -0.11 0.00 0.00 54.58 53.43 2ett n ASN 78 Cb 0.54 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.56 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 -0.82 0.00 -0.33 1.20 5.03 -1.26 -4.66 117.44 116.60 2ett n TRP 79 Ca 0.13 0.00 0.22 0.00 3.03 0.00 0.00 57.50 60.87 2ett n TRP 79 Cb 0.06 0.00 0.44 0.00 -1.03 0.00 0.00 31.31 30.78 2ett n TRP 79 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2ett h ARG 80 N 0.00 0.32 -0.30 -0.99 3.08 -1.92 0.43 114.38 115.01 2ett h ARG 80 Ca 0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 2ett h ARG 80 Cb 0.00 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2ett h ARG 80 CO 0.00 0.21 0.07 1.15 -1.07 0.00 0.00 179.97 180.33 2ett h THR 81 N 0.33 1.15 0.00 2.04 2.02 -2.01 -3.21 112.91 113.24 2ett h THR 81 Ca 0.70 -0.51 -0.34 0.00 0.77 0.00 0.00 66.41 67.02 2ett h THR 81 Cb 1.55 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 68.75 2ett h THR 81 CO -0.60 0.18 -2.29 -1.14 0.37 0.00 0.00 175.52 172.05 2ett n ARG 82 N -4.37 0.56 0.00 6.66 0.63 0.22 -5.11 116.66 115.25 2ett n ARG 82 Ca 0.01 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 2ett n ARG 82 Cb 0.17 -1.44 0.00 0.00 0.45 0.00 0.00 32.46 31.64 2ett n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ett n GLY 83 N 2.37 3.24 0.04 5.14 0.00 0.12 -4.85 105.19 111.26 2ett n GLY 83 Ca -0.40 -1.85 0.12 0.00 0.00 0.00 0.00 46.02 43.89 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 0.57 -0.27 0.99 7.99 -1.26 -4.21 117.00 120.81 2ett n LEU 84 Ca 0.00 0.22 0.06 0.00 -0.01 0.00 0.00 56.01 56.28 2ett n LEU 84 Cb 0.00 -0.25 0.20 0.00 -0.11 0.00 0.00 43.42 43.26 2ett n LEU 84 CO 0.00 -0.01 1.05 -0.08 -1.51 0.00 0.00 177.39 176.84 2ett h GLU 85 N 0.00 0.50 -0.57 3.23 4.81 -1.96 0.11 114.58 120.70 2ett h GLU 85 Ca 0.00 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 2ett h GLU 85 Cb 0.64 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 2ett h GLU 85 CO 0.00 0.33 0.10 1.96 -0.73 0.00 0.00 179.01 180.67 2ett h GLN 86 N 0.51 0.93 0.41 1.92 7.50 -1.93 0.65 115.11 125.10 2ett h GLN 86 Ca 0.43 -0.24 -0.02 0.00 0.50 0.00 0.00 58.65 59.32 2ett h GLN 86 Cb 0.63 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 28.05 2ett h GLN 86 CO -0.38 0.88 -0.20 -0.09 -1.50 0.00 0.00 178.83 177.55 2ett h ARG 87 N 0.83 -0.53 -0.87 1.46 2.43 -1.41 0.93 114.38 117.23 2ett h ARG 87 Ca 0.17 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.39 2ett h ARG 87 Cb 0.40 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 2ett h ARG 87 CO 0.01 -0.24 0.57 0.07 -1.51 0.00 0.00 179.97 178.87 2ett h ARG 88 N -0.77 1.14 -0.07 0.20 -0.00 -0.81 -1.60 114.38 112.47 2ett h ARG 88 Ca -0.06 -0.07 -0.11 0.00 -0.00 0.00 0.00 59.98 59.74 2ett h ARG 88 Cb 0.53 -0.26 0.01 0.00 -0.00 0.00 0.00 29.97 30.24 2ett h ARG 88 CO 0.09 0.75 -0.39 0.37 -0.00 0.00 0.00 179.97 180.79 2ett h GLN 89 N 1.17 0.39 -0.23 0.08 4.15 -0.79 -2.10 115.11 117.79 2ett h GLN 89 Ca 0.32 -0.33 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 2ett h GLN 89 Cb -0.13 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 2ett h GLN 89 CO -0.07 0.97 0.06 0.78 -1.93 0.00 0.00 178.83 178.64 2ett h GLY 90 N -0.08 0.39 2.00 2.39 0.00 -0.72 -1.34 103.07 105.72 2ett h GLY 90 Ca -0.03 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 2ett h GLY 90 CO 0.08 0.23 -0.42 1.41 0.00 0.00 0.00 176.54 177.84 2ett h LEU 91 N 0.19 0.00 -0.27 3.11 -0.00 -1.41 -2.44 115.31 114.49 2ett h LEU 91 Ca 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2ett h LEU 91 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.92 2ett h LEU 91 CO 0.00 0.42 0.17 -0.08 -0.00 0.00 0.00 178.44 178.94 2ett h GLU 92 N 0.00 0.37 -0.98 1.13 4.81 -1.04 -0.04 114.58 118.83 2ett h GLU 92 Ca -0.00 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2ett h GLU 92 Cb 0.79 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.03 2ett h GLU 92 CO 0.05 0.29 0.63 0.00 -0.73 0.00 0.00 179.01 179.25 2ett h ALA 93 N 1.06 1.33 0.46 2.92 0.00 -0.79 0.18 119.26 124.42 2ett h ALA 93 Ca 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2ett h ALA 93 Cb 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2ett h ALA 93 CO -0.02 0.46 -0.22 -0.92 0.00 0.00 0.00 179.25 178.55 2ett h TYR 94 N 1.18 -0.57 -0.93 0.00 3.20 -1.17 -1.48 116.97 117.21 2ett h TYR 94 Ca 0.41 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.27 2ett h TYR 94 Cb 0.10 0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.51 2ett h TYR 94 CO -0.01 -0.26 0.60 0.82 -1.64 0.00 0.00 178.16 177.68 2ett h ILE 95 N -1.03 1.24 -0.33 1.81 1.08 -0.72 0.52 117.51 120.08 2ett h ILE 95 Ca -0.06 -0.47 -0.12 0.00 -0.39 0.00 0.00 64.86 63.82 2ett h ILE 95 Cb 0.57 -0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.20 2ett h ILE 95 CO 0.10 0.24 -0.25 -0.61 -0.69 0.00 0.00 178.15 176.95 2ett h GLN 96 N 1.26 0.75 -0.41 2.37 4.15 -0.75 -2.52 115.11 119.96 2ett h GLN 96 Ca 0.34 -0.37 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 2ett h GLN 96 Cb -0.12 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 2ett h GLN 96 CO -0.07 0.99 0.17 0.78 -1.93 0.00 0.00 178.83 178.77 2ett h GLY 97 N 0.52 0.65 1.83 2.39 0.00 -0.52 -2.00 103.07 105.94 2ett h GLY 97 Ca 0.06 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 2ett h GLY 97 CO 0.07 0.32 -0.25 0.16 0.00 0.00 0.00 176.54 176.84 2ett h ILE 98 N 0.51 1.23 -0.46 2.60 3.07 -0.94 -1.27 117.51 122.27 2ett h ILE 98 Ca 0.14 -1.08 -0.08 0.00 1.55 0.00 0.00 64.86 65.38 2ett h ILE 98 Cb 0.17 1.43 -0.02 0.00 -0.27 0.00 0.00 36.82 38.13 2ett h ILE 98 CO -0.01 0.33 -0.06 0.25 -1.05 0.00 0.00 178.15 177.61 2ett h LEU 99 N 0.19 0.77 -0.15 0.16 6.46 -1.09 -2.67 115.31 118.98 2ett h LEU 99 Ca 0.03 -0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.58 2ett h LEU 99 Cb 0.55 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.28 2ett h LEU 99 CO 0.04 0.87 -0.03 0.22 -0.62 0.00 0.00 178.44 178.92 2ett h TYR 100 N 0.72 0.00 0.03 1.25 3.20 -0.60 -2.15 116.97 119.43 2ett h TYR 100 Ca 0.13 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 2ett h TYR 100 Cb 0.53 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.80 2ett h TYR 100 CO 0.03 0.03 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.49 2ett h LEU 101 N 0.00 -0.04 0.00 2.82 3.38 -0.94 -3.48 115.31 117.05 2ett h LEU 101 Ca -0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2ett h LEU 101 Cb 0.97 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2ett h LEU 101 CO 0.00 0.54 0.00 -3.20 0.09 0.00 0.00 178.44 175.88 2ett n ASN 102 N -4.78 0.00 0.04 -0.43 4.05 -1.06 -4.96 115.26 108.11 2ett n ASN 102 Ca -0.02 0.00 0.01 0.00 0.45 0.00 0.00 54.58 55.02 2ett n ASN 102 Cb 0.11 0.08 -0.07 0.00 1.23 0.00 0.00 39.78 41.12 2ett n ASN 102 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2ett n GLN 103 N -1.80 0.62 0.00 1.20 10.64 -1.20 -4.97 117.38 121.87 2ett n GLN 103 Ca 0.00 0.20 0.00 0.00 -1.83 0.00 0.00 57.00 55.37 2ett n GLN 103 Cb 0.00 -1.80 0.00 0.00 -0.86 0.00 0.00 30.24 27.58 2ett n GLN 103 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 2ett n GLU 104 N -2.85 0.00 -3.93 2.61 0.00 -0.81 -3.39 120.64 112.28 2ett n GLU 104 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.77 2ett n GLU 104 Cb 0.81 0.00 -0.15 0.00 0.00 0.00 0.00 31.44 32.09 2ett n GLU 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2ett s VAL 105 N 0.00 1.75 0.42 3.84 0.11 -1.26 -4.40 120.40 120.86 2ett s VAL 105 Ca 0.00 -1.87 -0.11 0.00 -2.93 0.00 0.00 61.98 57.08 2ett s VAL 105 Cb 0.00 -2.24 -0.06 0.00 -1.53 0.00 0.00 36.38 32.55 2ett s VAL 105 CO 0.00 -0.52 0.79 -2.16 -3.33 0.00 0.00 175.10 169.88 2ett s PRO 106 N 1.20 3.77 0.50 1.54 0.04 -1.22 -4.97 135.00 135.86 2ett s PRO 106 Ca 0.07 0.49 0.15 0.00 0.04 0.00 0.00 61.00 61.75 2ett s PRO 106 Cb -0.18 -2.37 1.18 0.00 0.04 0.00 0.00 34.50 33.17 2ett s PRO 106 CO -0.13 -0.07 2.12 -0.22 0.04 0.00 0.00 177.00 178.74 2ett h LYS 107 N 1.14 0.08 -0.34 4.56 3.64 -2.00 -3.20 116.57 120.45 2ett h LYS 107 Ca -0.47 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.00 2ett h LYS 107 Cb 1.19 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2ett h LYS 107 CO 0.63 0.07 0.24 0.93 -2.27 0.00 0.00 179.45 179.06 2ett h GLU 108 N 0.08 0.00 -0.65 1.90 5.08 -1.97 0.18 114.58 119.20 2ett h GLU 108 Ca 0.02 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2ett h GLU 108 Cb 0.03 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2ett h GLU 108 CO -0.00 0.00 0.16 -0.07 -1.00 0.00 0.00 179.01 178.10 2ett h LEU 109 N 0.00 0.96 -0.60 1.33 -0.00 -1.98 0.65 115.31 115.68 2ett h LEU 109 Ca 0.16 -0.19 -0.15 0.00 -0.00 0.00 0.00 57.88 57.70 2ett h LEU 109 Cb 0.64 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.04 2ett h LEU 109 CO -0.00 0.93 -0.48 -0.07 -0.00 0.00 0.00 178.44 178.82 2ett h LEU 110 N 0.98 0.60 -0.44 1.67 4.07 -0.96 -0.33 115.31 120.90 2ett h LEU 110 Ca 0.21 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.87 2ett h LEU 110 Cb 0.34 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.91 2ett h LEU 110 CO -0.00 0.98 0.00 -0.08 -1.08 0.00 0.00 178.44 178.26 2ett h GLU 111 N 0.44 0.00 0.03 1.13 4.81 -0.75 0.19 114.58 120.44 2ett h GLU 111 Ca 0.02 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.00 2ett h GLU 111 Cb 1.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 2ett h GLU 111 CO 0.09 0.00 -1.37 0.35 -0.73 0.00 0.00 179.01 177.35 2ett h PHE 112 N 0.00 0.12 -0.02 0.92 3.04 -0.23 -3.37 116.94 117.41 2ett h PHE 112 Ca 0.00 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 61.86 2ett h PHE 112 Cb 0.84 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.34 2ett h PHE 112 CO 0.00 1.54 -0.38 1.28 -2.02 0.00 0.00 178.31 178.72 2ett n LEU 113 N -4.23 2.01 -3.08 0.59 4.77 -0.19 -4.96 117.00 111.90 2ett n LEU 113 Ca -0.31 -0.72 -0.13 0.00 -0.03 0.00 0.00 56.01 54.83 2ett n LEU 113 Cb 0.76 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.89 2ett n LEU 113 CO 0.25 0.37 0.05 0.54 -1.33 0.00 0.00 177.39 177.27 2ett n ARG 114 N 0.07 -1.99 -3.21 3.23 1.74 -0.28 -4.97 116.66 111.26 2ett n ARG 114 Ca 0.10 0.83 -0.41 0.00 -0.77 0.00 0.00 57.85 57.60 2ett n ARG 114 Cb 0.47 -5.44 -0.07 0.00 -1.02 0.00 0.00 32.46 26.39 2ett n ARG 114 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2ett s LEU 115 N -5.08 4.33 -0.15 0.55 1.43 0.51 -5.00 118.68 115.27 2ett s LEU 115 Ca 0.39 0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 2ett s LEU 115 Cb -0.05 -2.64 0.01 0.00 0.03 0.00 0.00 46.19 43.55 2ett s LEU 115 CO 0.67 -0.52 -0.21 0.00 0.23 0.00 0.00 176.35 176.53 2ett s ARG 116 N 2.48 2.92 -0.25 1.70 1.70 -1.26 -4.69 118.95 121.55 2ett s ARG 116 Ca 0.20 -0.82 -0.00 0.00 -0.47 0.00 0.00 55.73 54.64 2ett s ARG 116 Cb -0.15 -2.40 0.00 0.00 -0.57 0.00 0.00 34.95 31.83 2ett s ARG 116 CO 0.14 -0.06 0.00 1.58 -1.08 0.00 0.00 175.30 175.88 2ett n HIS 117 N 4.21 -3.31 -3.98 5.89 -0.00 -1.26 -5.03 115.22 111.73 2ett n HIS 117 Ca -0.20 1.48 -0.31 0.00 -0.00 0.00 0.00 57.72 58.69 2ett n HIS 117 Cb 0.51 -3.58 -0.15 0.00 -0.00 0.00 0.00 29.99 26.77 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 -1.33 3.14 0.46 1.57 0.40 -1.26 -5.12 117.98 115.84 2ett s PHE 118 Ca -0.00 -2.45 -0.08 0.00 -0.60 0.00 0.00 56.93 53.79 2ett s PHE 118 Cb 0.00 -2.28 0.11 0.00 0.51 0.00 0.00 43.02 41.36 2ett s PHE 118 CO 0.65 -0.89 0.52 -0.35 0.70 0.00 0.00 175.22 175.85 2ett n PRO 119 N 4.45 -1.14 -2.32 0.24 -0.04 -1.26 -4.86 135.00 130.06 2ett n PRO 119 Ca -0.04 -0.82 -0.43 0.00 -0.04 0.00 0.00 63.50 62.17 2ett n PRO 119 Cb 0.42 -0.63 -0.02 0.00 -0.04 0.00 0.00 33.50 33.23 2ett n PRO 119 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2ett s THR 120 N -2.07 3.94 0.62 0.52 -1.32 -1.19 -4.25 115.64 111.89 2ett s THR 120 Ca 0.31 1.01 -0.16 0.00 -1.21 0.00 0.00 61.69 61.64 2ett s THR 120 Cb -0.02 -4.09 -0.02 0.00 -1.51 0.00 0.00 72.50 66.87 2ett s THR 120 CO 0.23 -0.57 1.12 -1.81 -2.21 0.00 0.00 174.62 171.37 2ett s ASP 121 N 3.68 5.30 0.56 8.08 1.11 -1.22 -4.85 116.67 129.33 2ett s ASP 121 Ca 0.62 2.06 -0.19 0.00 0.18 0.00 0.00 52.55 55.22 2ett s ASP 121 Cb -0.17 -2.56 -0.05 0.00 1.07 0.00 0.00 42.92 41.21 2ett s ASP 121 CO 0.29 -1.50 1.17 -2.16 1.18 0.00 0.00 175.17 174.15 2ett s PRO 122 N -3.83 3.20 -0.66 8.23 0.04 -1.26 -4.73 135.00 135.99 2ett s PRO 122 Ca 0.69 1.74 -0.23 0.00 0.04 0.00 0.00 61.00 63.24 2ett s PRO 122 Cb -0.22 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.39 2ett s PRO 122 CO 0.37 -1.00 0.98 0.21 0.04 0.00 0.00 177.00 177.60 2ett s LYS 123 N -3.26 3.12 -0.31 4.56 2.47 -1.26 -4.94 119.74 120.12 2ett s LYS 123 Ca 0.74 -0.78 -0.02 0.00 -1.56 0.00 0.00 55.97 54.35 2ett s LYS 123 Cb -0.28 -4.22 0.11 0.00 -1.46 0.00 0.00 37.83 31.98 2ett s LYS 123 CO 0.31 -1.83 0.14 0.00 0.16 0.00 0.00 175.35 174.12 2ett s ALA 124 N 4.17 1.04 0.00 3.13 0.00 -1.26 -4.83 121.76 124.01 2ett s ALA 124 Ca 0.23 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.72 2ett s ALA 124 Cb -0.16 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.43 2ett s ALA 124 CO 0.11 -1.74 0.21 0.43 0.00 0.00 0.00 175.76 174.76 2ett n SER 125 N 4.85 0.00 -4.41 0.00 7.64 -1.26 -4.96 113.62 115.48 2ett n SER 125 Ca -0.01 -1.04 -0.44 0.00 1.01 0.00 0.00 58.87 58.39 2ett n SER 125 Cb 0.41 -0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.55 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 -0.04 6.19 -0.15 6.43 2.47 -1.26 -4.71 114.94 123.88 2ett s ASN 126 Ca 0.00 -1.19 0.18 0.00 0.42 0.00 0.00 52.86 52.27 2ett s ASN 126 Cb 0.00 -2.33 -0.26 0.00 -1.45 0.00 0.00 41.25 37.21 2ett s ASN 126 CO 0.00 -1.16 0.17 1.87 -3.72 0.00 0.00 177.10 174.26 2ett n TRP 127 N 6.68 0.00 0.00 0.43 -0.00 -1.26 -5.29 117.44 118.00 2ett n TRP 127 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.43 2ett n TRP 127 Cb 0.44 -0.82 0.00 0.00 -0.00 0.00 0.00 31.31 30.93 2ett n TRP 127 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10