#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 2.99 -0.30 1.61 5.65 -1.26 -4.75 115.29 119.23 2ett s HIS 2 Ca 0.00 -1.68 -0.15 0.00 0.25 0.00 0.00 55.06 53.48 2ett s HIS 2 Cb 0.00 -4.59 0.18 0.00 -1.18 0.00 0.00 32.58 26.99 2ett s HIS 2 CO 0.00 -1.68 1.11 -3.38 -0.65 0.00 0.00 174.74 170.14 2ett s HIS 3 N 3.41 -0.39 0.07 3.88 -0.00 -1.26 -5.08 115.29 115.92 2ett s HIS 3 Ca 0.48 0.45 0.00 0.00 -0.00 0.00 0.00 55.06 55.99 2ett s HIS 3 Cb 0.01 0.15 0.00 0.00 -0.00 0.00 0.00 32.58 32.74 2ett s HIS 3 CO 0.02 -0.21 0.00 0.72 -0.00 0.00 0.00 174.74 175.27 2ett n HIS 4 N 5.38 -0.46 -3.12 0.38 -0.00 -1.26 -4.96 115.22 111.17 2ett n HIS 4 Ca -0.08 0.08 -0.44 0.00 -0.00 0.00 0.00 57.72 57.28 2ett n HIS 4 Cb 0.54 0.29 -0.05 0.00 -0.00 0.00 0.00 29.99 30.77 2ett n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ett s HIS 5 N -2.00 3.01 0.21 4.41 2.46 -1.26 -4.98 115.29 117.13 2ett s HIS 5 Ca 0.00 -0.71 -0.14 0.00 0.47 0.00 0.00 55.06 54.68 2ett s HIS 5 Cb 0.00 -3.77 0.01 0.00 -0.13 0.00 0.00 32.58 28.69 2ett s HIS 5 CO 0.00 -1.17 0.46 -3.38 -2.47 0.00 0.00 174.74 168.18 2ett s HIS 6 N 2.73 0.15 -0.76 3.88 0.00 -1.26 -5.02 115.29 115.01 2ett s HIS 6 Ca 0.14 -0.51 -0.00 0.00 -3.00 0.00 0.00 55.06 51.69 2ett s HIS 6 Cb -0.21 0.24 -0.00 0.00 -4.00 0.00 0.00 32.58 28.60 2ett s HIS 6 CO 0.10 -0.91 0.71 1.58 -1.00 0.00 0.00 174.74 175.22 2ett n HIS 7 N -0.33 -2.95 -3.23 0.38 -0.00 -1.26 -5.01 115.22 102.82 2ett n HIS 7 Ca -0.06 1.12 -0.20 0.00 -0.00 0.00 0.00 57.72 58.58 2ett n HIS 7 Cb 0.62 -4.11 0.00 0.00 -0.00 0.00 0.00 29.99 26.51 2ett n HIS 7 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2ett s LEU 8 N -4.09 3.80 -0.27 0.27 1.02 -1.26 -4.82 118.68 113.34 2ett s LEU 8 Ca 0.03 -0.05 -0.01 0.00 0.02 0.00 0.00 54.13 54.11 2ett s LEU 8 Cb -0.00 -2.88 0.00 0.00 0.02 0.00 0.00 46.19 43.33 2ett s LEU 8 CO 0.75 -0.59 0.05 -0.62 0.02 0.00 0.00 176.35 175.96 2ett n GLU 9 N -1.84 -2.82 -4.00 1.70 -0.58 -1.26 -3.42 120.64 108.42 2ett n GLU 9 Ca 0.02 2.35 -0.25 0.00 -0.42 0.00 0.00 57.16 58.85 2ett n GLU 9 Cb 0.58 -4.67 -0.17 0.00 -0.57 0.00 0.00 31.44 26.61 2ett n GLU 9 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ett s LEU 10 N -1.45 1.17 -0.20 -4.62 1.43 -1.26 -1.61 118.68 112.14 2ett s LEU 10 Ca 0.02 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2ett s LEU 10 Cb -0.01 -0.75 0.05 0.00 0.03 0.00 0.00 46.19 45.51 2ett s LEU 10 CO 0.65 -0.10 -0.04 -1.61 0.23 0.00 0.00 176.35 175.48 2ett s GLU 11 N 1.54 1.37 -0.15 1.70 2.02 -1.03 -4.99 118.70 119.18 2ett s GLU 11 Ca 0.01 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.32 2ett s GLU 11 Cb -0.13 -2.26 0.02 0.00 0.10 0.00 0.00 34.13 31.86 2ett s GLU 11 CO -0.06 -0.53 -0.14 0.08 0.02 0.00 0.00 175.26 174.63 2ett s VAL 12 N 1.58 1.57 0.31 2.63 1.01 -1.25 0.29 120.40 126.53 2ett s VAL 12 Ca -0.02 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.13 2ett s VAL 12 Cb -0.17 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.78 2ett s VAL 12 CO -0.07 0.46 0.77 -1.38 0.00 0.00 0.00 175.10 174.87 2ett s HIS 13 N 1.45 -0.07 -0.49 5.22 -3.43 -0.21 -4.34 115.29 113.42 2ett s HIS 13 Ca 0.04 -0.46 -0.00 0.00 -0.80 0.00 0.00 55.06 53.84 2ett s HIS 13 Cb -0.13 0.75 0.13 0.00 -1.43 0.00 0.00 32.58 31.90 2ett s HIS 13 CO -0.10 -1.32 0.27 0.42 -2.00 0.00 0.00 174.74 172.01 2ett s ILE 14 N -3.27 3.12 -0.60 -5.38 1.01 -1.26 -0.03 121.20 114.79 2ett s ILE 14 Ca 0.13 -2.68 0.25 0.00 0.00 0.00 0.00 60.65 58.35 2ett s ILE 14 Cb -0.05 -3.12 0.30 0.00 0.01 0.00 0.00 42.46 39.60 2ett s ILE 14 CO 0.08 -0.76 1.69 1.55 0.00 0.00 0.00 174.94 177.50 2ett h PRO 15 N 7.30 0.00 -2.41 2.79 0.13 -1.95 -3.47 132.00 134.39 2ett h PRO 15 Ca -0.07 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.99 2ett h PRO 15 Cb 0.98 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.92 2ett h PRO 15 CO 0.67 0.00 0.06 -1.54 -0.23 0.00 0.00 178.00 176.96 2ett s SER 16 N -5.26 -0.51 -0.06 1.44 1.04 -1.26 -5.09 113.70 104.00 2ett s SER 16 Ca 0.09 0.45 -0.10 0.00 0.48 0.00 0.00 55.95 56.87 2ett s SER 16 Cb 0.09 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.71 2ett s SER 16 CO 0.63 -0.61 0.25 -0.69 0.98 0.00 0.00 173.24 173.80 2ett s VAL 17 N -1.56 0.03 0.10 5.02 1.01 -1.26 -1.06 120.40 122.68 2ett s VAL 17 Ca -0.10 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 2ett s VAL 17 Cb -0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.91 2ett s VAL 17 CO 0.06 -0.15 0.16 -0.83 0.00 0.00 0.00 175.10 174.34 2ett s GLY 18 N -0.56 0.26 0.18 4.51 0.00 -0.40 -5.00 107.32 106.31 2ett s GLY 18 Ca -0.07 -0.80 -0.30 0.00 0.00 0.00 0.00 44.72 43.55 2ett s GLY 18 CO 0.02 -0.93 1.17 2.56 0.00 0.00 0.00 173.10 175.93 2ett s PRO 19 N -3.90 4.51 0.00 2.90 0.04 -1.26 -1.16 135.00 136.13 2ett s PRO 19 Ca 0.08 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2ett s PRO 19 Cb 0.05 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2ett s PRO 19 CO -0.09 -0.06 0.00 -1.91 0.04 0.00 0.00 177.00 174.99 2ett n GLU 20 N 2.51 0.00 -4.43 4.56 0.00 -1.22 -4.86 120.64 117.21 2ett n GLU 20 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 57.00 2ett n GLU 20 Cb 0.45 -0.15 -0.14 0.00 0.00 0.00 0.00 31.44 31.60 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 -4.15 1.11 -0.47 4.31 0.00 -1.19 -5.05 121.76 116.32 2ett s ALA 21 Ca 0.00 -0.71 -0.20 0.00 0.00 0.00 0.00 51.96 51.05 2ett s ALA 21 Cb 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 23.12 22.95 2ett s ALA 21 CO 0.00 0.23 0.63 -1.83 0.00 0.00 0.00 175.76 174.79 2ett s GLU 22 N -0.80 3.20 -0.17 0.00 -1.05 -1.26 -4.00 118.70 114.61 2ett s GLU 22 Ca 0.03 -0.61 -0.05 0.00 -0.15 0.00 0.00 54.97 54.19 2ett s GLU 22 Cb -0.07 -4.02 0.01 0.00 -0.44 0.00 0.00 34.13 29.61 2ett s GLU 22 CO 0.01 -1.10 0.21 0.41 0.95 0.00 0.00 175.26 175.74 2ett n GLY 23 N 5.10 -0.86 0.00 -3.83 0.00 -1.26 -5.09 105.19 99.25 2ett n GLY 23 Ca -0.04 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2ett n GLY 23 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ett n PRO 24 N -0.57 1.32 -0.82 1.61 -0.04 -1.26 -5.06 135.00 130.18 2ett n PRO 24 Ca 0.03 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.19 2ett n PRO 24 Cb 0.22 0.00 0.16 0.00 -0.04 0.00 0.00 33.50 33.84 2ett n PRO 24 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2ett s ARG 25 N 0.40 0.93 -0.51 0.54 3.52 -1.26 -4.83 118.95 117.74 2ett s ARG 25 Ca 0.00 1.30 -0.32 0.00 -0.13 0.00 0.00 55.73 56.58 2ett s ARG 25 Cb 0.00 -1.74 -0.12 0.00 -1.56 0.00 0.00 34.95 31.53 2ett s ARG 25 CO 0.00 -2.60 2.35 0.94 -0.81 0.00 0.00 175.30 175.18 2ett n GLN 26 N -4.19 0.89 -4.42 5.12 0.00 -1.26 -4.87 117.38 108.65 2ett n GLN 26 Ca 0.09 0.16 -0.25 0.00 -0.00 0.00 0.00 57.00 57.00 2ett n GLN 26 Cb 0.53 -2.58 -0.10 0.00 0.00 0.00 0.00 30.24 28.09 2ett n GLN 26 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2ett s SER 27 N 9.06 3.69 0.28 1.69 0.01 -1.26 -5.02 113.70 122.14 2ett s SER 27 Ca 1.11 -0.89 0.02 0.00 1.31 0.00 0.00 55.95 57.50 2ett s SER 27 Cb -0.73 -0.38 0.61 0.00 0.21 0.00 0.00 66.02 65.74 2ett s SER 27 CO 0.42 0.07 1.77 1.55 0.41 0.00 0.00 173.24 177.47 2ett h PRO 28 N 2.65 0.69 -3.12 12.44 0.13 -2.03 -3.39 132.00 139.36 2ett h PRO 28 Ca -0.43 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 64.48 2ett h PRO 28 Cb 1.23 -0.15 -0.27 0.00 0.13 0.00 0.00 31.00 31.94 2ett h PRO 28 CO 0.55 0.45 -0.45 -2.00 -0.23 0.00 0.00 178.00 176.32 2ett s GLU 29 N -5.93 0.26 0.31 0.86 2.12 -1.26 -5.13 118.70 109.92 2ett s GLU 29 Ca -0.12 0.39 -0.29 0.00 0.36 0.00 0.00 54.97 55.31 2ett s GLU 29 Cb 0.23 0.06 -0.11 0.00 0.26 0.00 0.00 34.13 34.58 2ett s GLU 29 CO 0.79 -0.07 1.44 0.15 -0.54 0.00 0.00 175.26 177.03 2ett s LYS 30 N 0.44 4.23 -1.05 4.30 1.02 -1.26 -4.90 119.74 122.52 2ett s LYS 30 Ca -0.03 2.39 -0.21 0.00 0.02 0.00 0.00 55.97 58.14 2ett s LYS 30 Cb -0.04 -3.05 0.08 0.00 -0.52 0.00 0.00 37.83 34.29 2ett s LYS 30 CO -0.02 -0.42 1.42 -1.12 -0.92 0.00 0.00 175.35 174.28 2ett s SER 31 N 0.06 6.60 0.00 2.83 0.01 -1.26 -4.58 113.70 117.35 2ett s SER 31 Ca 0.56 -1.78 0.00 0.00 1.31 0.00 0.00 55.95 56.04 2ett s SER 31 Cb -0.43 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.27 2ett s SER 31 CO 0.51 -1.34 0.31 1.57 0.41 0.00 0.00 173.24 174.70 2ett n HIS 32 N 8.18 0.00 -3.85 2.43 -0.00 -1.26 -3.18 115.22 117.55 2ett n HIS 32 Ca 0.33 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.77 2ett n HIS 32 Cb 0.50 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.32 2ett n HIS 32 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 2ett s MET 33 N -0.23 1.22 -0.25 1.57 0.00 -1.26 -3.37 119.30 116.98 2ett s MET 33 Ca 0.00 -0.64 0.02 0.00 0.00 0.00 0.00 55.69 55.07 2ett s MET 33 Cb 0.00 -2.23 0.06 0.00 0.00 0.00 0.00 34.83 32.66 2ett s MET 33 CO 0.00 -0.56 -0.08 0.54 0.00 0.00 0.00 175.02 174.92 2ett s VAL 34 N 1.63 1.92 0.06 10.11 0.11 -0.31 -3.09 120.40 130.83 2ett s VAL 34 Ca -0.02 -1.51 0.00 0.00 -2.93 0.00 0.00 61.98 57.52 2ett s VAL 34 Cb -0.17 -2.11 -0.04 0.00 -1.53 0.00 0.00 36.38 32.53 2ett s VAL 34 CO -0.07 -0.09 0.18 0.72 -3.33 0.00 0.00 175.10 172.51 2ett s PHE 35 N 1.21 3.46 -0.46 1.54 -0.12 -0.42 -1.28 117.98 121.91 2ett s PHE 35 Ca -0.07 0.23 -0.15 0.00 -0.05 0.00 0.00 56.93 56.89 2ett s PHE 35 Cb -0.20 -1.74 0.06 0.00 -0.63 0.00 0.00 43.02 40.52 2ett s PHE 35 CO -0.06 0.58 0.38 1.03 -0.05 0.00 0.00 175.22 177.10 2ett s ARG 36 N -2.42 2.97 -0.35 1.99 1.81 -0.23 -0.52 118.95 122.21 2ett s ARG 36 Ca 0.33 -1.30 -0.21 0.00 -1.72 0.00 0.00 55.73 52.83 2ett s ARG 36 Cb -0.13 -4.10 0.00 0.00 -0.45 0.00 0.00 34.95 30.27 2ett s ARG 36 CO 0.26 -0.98 0.67 0.14 -0.68 0.00 0.00 175.30 174.71 2ett s VAL 37 N 1.64 4.86 -0.42 3.52 -7.23 0.15 -3.81 120.40 119.11 2ett s VAL 37 Ca 0.04 0.70 -0.17 0.00 -1.81 0.00 0.00 61.98 60.74 2ett s VAL 37 Cb -0.23 -4.10 0.02 0.00 0.56 0.00 0.00 36.38 32.62 2ett s VAL 37 CO 0.07 -0.32 0.42 -0.70 -0.31 0.00 0.00 175.10 174.26 2ett s GLU 38 N 2.79 3.10 -0.38 4.82 2.12 0.96 -0.32 118.70 131.79 2ett s GLU 38 Ca 0.26 -0.77 -0.12 0.00 0.36 0.00 0.00 54.97 54.70 2ett s GLU 38 Cb -0.14 -3.96 0.02 0.00 0.26 0.00 0.00 34.13 30.31 2ett s GLU 38 CO 0.15 -0.84 0.23 0.08 -0.54 0.00 0.00 175.26 174.34 2ett s VAL 39 N 2.10 4.76 -0.40 3.70 1.01 -0.86 -1.04 120.40 129.66 2ett s VAL 39 Ca 0.11 -0.77 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 2ett s VAL 39 Cb -0.17 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.58 2ett s VAL 39 CO 0.13 -0.23 0.44 -0.22 0.00 0.00 0.00 175.10 175.22 2ett s LEU 40 N 1.59 4.73 -0.42 3.92 0.20 0.15 -2.37 118.68 126.48 2ett s LEU 40 Ca 0.03 -0.54 -0.10 0.00 0.69 0.00 0.00 54.13 54.21 2ett s LEU 40 Cb -0.19 -2.42 0.07 0.00 -0.43 0.00 0.00 46.19 43.23 2ett s LEU 40 CO 0.08 -0.55 0.27 0.00 -0.29 0.00 0.00 176.35 175.86 2ett n SER 42 N 4.96 0.00 0.00 0.00 3.41 -0.63 -2.05 113.62 119.30 2ett n SER 42 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 2ett n SER 42 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2ett n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ett n GLY 43 N 0.00 0.00 3.00 5.00 0.00 -1.26 -4.67 105.19 107.26 2ett n GLY 43 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2ett n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ett s ARG 44 N 0.00 0.16 0.03 1.61 1.81 -0.87 -0.45 118.95 121.25 2ett s ARG 44 Ca 0.00 0.45 0.07 0.00 -1.72 0.00 0.00 55.73 54.53 2ett s ARG 44 Cb 0.00 -0.13 -0.02 0.00 -0.45 0.00 0.00 34.95 34.35 2ett s ARG 44 CO 0.00 -0.16 -0.19 -0.98 -0.68 0.00 0.00 175.30 173.29 2ett s ARG 45 N 1.15 1.34 -0.04 3.54 1.70 -1.26 0.12 118.95 125.50 2ett s ARG 45 Ca -0.09 -0.87 0.02 0.00 -0.47 0.00 0.00 55.73 54.32 2ett s ARG 45 Cb -0.10 -1.41 0.02 0.00 -0.57 0.00 0.00 34.95 32.88 2ett s ARG 45 CO -0.07 0.36 -0.06 -1.58 -1.08 0.00 0.00 175.30 172.87 2ett s HIS 46 N -0.75 0.81 -0.57 5.89 2.46 -1.00 -4.97 115.29 117.17 2ett s HIS 46 Ca 0.06 -0.22 -0.25 0.00 0.47 0.00 0.00 55.06 55.13 2ett s HIS 46 Cb -0.08 -0.66 0.04 0.00 -0.13 0.00 0.00 32.58 31.75 2ett s HIS 46 CO 0.01 -0.16 0.98 0.99 -2.47 0.00 0.00 174.74 174.10 2ett s THR 47 N 0.64 4.32 -0.34 0.89 2.01 -1.26 -2.02 115.64 119.89 2ett s THR 47 Ca -0.09 0.33 -0.08 0.00 0.31 0.00 0.00 61.69 62.15 2ett s THR 47 Cb -0.12 -4.58 0.02 0.00 0.01 0.00 0.00 72.50 67.83 2ett s THR 47 CO 0.01 -1.18 0.14 -0.69 -0.69 0.00 0.00 174.62 172.20 2ett s VAL 48 N 4.13 4.20 0.08 3.82 1.01 0.56 -4.88 120.40 129.33 2ett s VAL 48 Ca 0.32 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 2ett s VAL 48 Cb -0.12 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 2ett s VAL 48 CO 0.19 -0.10 1.07 -2.84 0.00 0.00 0.00 175.10 173.42 2ett s PRO 49 N 1.50 4.56 0.19 2.72 0.02 -1.26 0.31 135.00 143.04 2ett s PRO 49 Ca 0.01 1.60 -0.12 0.00 0.02 0.00 0.00 61.00 62.52 2ett s PRO 49 Cb -0.18 -3.37 0.00 0.00 0.02 0.00 0.00 34.50 30.97 2ett s PRO 49 CO 0.04 -0.03 0.39 -0.98 -0.33 0.00 0.00 177.00 176.09 2ett s ARG 50 N 0.49 1.29 0.67 5.54 1.70 0.33 -4.95 118.95 124.03 2ett s ARG 50 Ca 0.52 -1.10 -0.11 0.00 -0.47 0.00 0.00 55.73 54.58 2ett s ARG 50 Cb -0.26 0.44 -0.01 0.00 -0.57 0.00 0.00 34.95 34.55 2ett s ARG 50 CO 0.30 -0.51 1.05 1.03 -1.08 0.00 0.00 175.30 176.10 2ett s ARG 51 N -3.95 3.14 0.18 3.89 0.52 -1.26 -1.30 118.95 120.17 2ett s ARG 51 Ca 0.16 0.79 -0.06 0.00 -0.52 0.00 0.00 55.73 56.10 2ett s ARG 51 Cb 0.01 -2.02 0.09 0.00 0.52 0.00 0.00 34.95 33.54 2ett s ARG 51 CO 0.01 -0.91 1.54 -0.92 0.02 0.00 0.00 175.30 175.03 2ett h TYR 52 N -0.58 0.91 -0.55 -0.53 3.20 -1.91 -2.71 116.97 114.81 2ett h TYR 52 Ca -0.44 -0.26 0.05 0.00 3.14 0.00 0.00 58.73 61.21 2ett h TYR 52 Cb 1.21 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 39.24 2ett h TYR 52 CO 0.61 1.03 0.28 1.03 -1.64 0.00 0.00 178.16 179.47 2ett h SER 53 N 0.63 0.41 -0.10 -2.11 0.87 -1.90 -1.63 113.55 109.73 2ett h SER 53 Ca 0.05 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2ett h SER 53 Cb 0.93 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 2ett h SER 53 CO 0.09 0.28 0.03 -0.08 -0.53 0.00 0.00 176.83 176.61 2ett h GLU 54 N 0.54 0.07 0.17 2.24 4.57 -1.90 -2.41 114.58 117.86 2ett h GLU 54 Ca 0.24 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.43 2ett h GLU 54 Cb 0.15 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 2ett h GLU 54 CO -0.17 0.05 -0.23 0.35 -1.18 0.00 0.00 179.01 177.83 2ett h PHE 55 N 0.08 -0.61 -0.20 0.92 3.04 -1.15 -2.61 116.94 116.40 2ett h PHE 55 Ca 0.04 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.92 2ett h PHE 55 Cb 0.02 0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.77 2ett h PHE 55 CO -0.10 -0.33 -0.21 1.12 -2.02 0.00 0.00 178.31 176.77 2ett h HIS 56 N -0.46 0.39 -0.25 0.41 2.07 -1.09 -0.89 115.15 115.34 2ett h HIS 56 Ca 0.01 -0.07 -0.12 0.00 -2.85 0.00 0.00 60.37 57.35 2ett h HIS 56 Cb 0.46 -0.10 -0.00 0.00 2.57 0.00 0.00 27.41 30.33 2ett h HIS 56 CO -0.19 0.55 -0.31 0.00 -3.07 0.00 0.00 177.93 174.91 2ett h ALA 57 N 1.46 0.37 -0.01 6.11 0.00 -1.36 -1.68 119.26 124.16 2ett h ALA 57 Ca 0.06 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.36 2ett h ALA 57 Cb 0.55 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2ett h ALA 57 CO 0.04 0.40 -0.86 1.37 0.00 0.00 0.00 179.25 180.20 2ett h LEU 58 N 0.36 0.35 -0.61 0.00 -0.00 -1.36 -2.18 115.31 111.87 2ett h LEU 58 Ca 0.03 -0.27 0.06 0.00 -0.00 0.00 0.00 57.88 57.71 2ett h LEU 58 Cb 0.88 -0.11 -0.05 0.00 -0.00 0.00 0.00 40.66 41.38 2ett h LEU 58 CO 0.07 1.05 0.32 -0.74 -0.00 0.00 0.00 178.44 179.14 2ett h HIS 59 N 0.16 0.58 -0.05 0.17 2.76 -1.12 0.28 115.15 117.93 2ett h HIS 59 Ca -0.05 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 58.00 2ett h HIS 59 Cb 1.47 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 30.25 2ett h HIS 59 CO 0.04 0.27 -0.64 1.57 -1.30 0.00 0.00 177.93 177.86 2ett h LYS 60 N 0.60 0.19 -0.35 5.26 2.10 -1.27 -0.97 116.57 122.13 2ett h LYS 60 Ca 0.28 -0.14 -0.08 0.00 -2.00 0.00 0.00 60.65 58.71 2ett h LYS 60 Cb 0.20 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.54 2ett h LYS 60 CO -0.19 0.77 -0.08 -0.09 -2.00 0.00 0.00 179.45 177.85 2ett h ARG 61 N 0.14 0.67 0.00 0.07 1.12 -0.46 -2.57 114.38 113.35 2ett h ARG 61 Ca -0.01 -0.26 0.00 0.00 -1.11 0.00 0.00 59.98 58.60 2ett h ARG 61 Cb 1.16 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.08 2ett h ARG 61 CO 0.10 0.84 0.00 -0.84 -3.11 0.00 0.00 179.97 176.95 2ett h ILE 62 N 0.46 0.00 0.00 1.20 3.07 -0.53 -2.68 117.51 119.03 2ett h ILE 62 Ca 0.09 -0.52 -0.14 0.00 1.55 0.00 0.00 64.86 65.84 2ett h ILE 62 Cb 0.59 1.51 -0.02 0.00 -0.27 0.00 0.00 36.82 38.63 2ett h ILE 62 CO 0.03 0.00 -0.68 0.07 -1.05 0.00 0.00 178.15 176.52 2ett h LYS 63 N 0.00 0.00 0.00 0.16 2.10 -0.87 0.70 116.57 118.66 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 0.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 2ett h LYS 63 CO 0.00 0.68 0.00 1.17 -2.00 0.00 0.00 179.45 179.30 2ett n LYS 64 N -3.52 0.22 -0.09 0.07 4.81 -1.00 -4.19 118.16 114.47 2ett n LYS 64 Ca -0.00 0.32 -0.10 0.00 -0.87 0.00 0.00 58.31 57.66 2ett n LYS 64 Cb 0.72 -1.83 -0.03 0.00 0.02 0.00 0.00 35.03 33.91 2ett n LYS 64 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2ett n LEU 65 N -2.22 1.93 0.00 3.14 -0.00 -0.43 -5.09 117.00 114.32 2ett n LEU 65 Ca 0.04 0.35 -0.04 0.00 -0.00 0.00 0.00 56.01 56.36 2ett n LEU 65 Cb 0.32 -0.75 -0.01 0.00 -0.00 0.00 0.00 43.42 42.97 2ett n LEU 65 CO 0.25 -0.25 -0.02 0.00 -0.00 0.00 0.00 177.39 177.37 2ett n TYR 66 N -4.46 -0.09 -1.76 1.96 4.11 0.23 -5.07 117.16 112.07 2ett n TYR 66 Ca -0.15 -0.52 -0.40 0.00 -0.00 0.00 0.00 57.90 56.82 2ett n TYR 66 Cb 0.52 0.04 -0.03 0.00 -0.00 0.00 0.00 39.34 39.86 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 -2.27 2.82 -0.08 -3.48 -0.14 -1.26 -4.32 119.74 111.01 2ett s LYS 67 Ca 0.06 1.48 -0.03 0.00 -1.36 0.00 0.00 55.97 56.12 2ett s LYS 67 Cb 0.00 -4.39 0.04 0.00 -1.68 0.00 0.00 37.83 31.81 2ett s LYS 67 CO 0.05 -2.47 0.17 0.08 -0.76 0.00 0.00 175.35 172.42 2ett s VAL 68 N 9.14 -0.06 0.00 3.17 1.01 -1.26 -4.74 120.40 127.66 2ett s VAL 68 Ca 0.89 0.18 0.00 0.00 0.00 0.00 0.00 61.98 63.05 2ett s VAL 68 Cb -0.23 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 35.88 2ett s VAL 68 CO 0.30 0.07 0.00 -0.81 0.00 0.00 0.00 175.10 174.66 2ett n PRO 69 N 4.28 -0.44 -2.14 2.72 -0.04 -1.26 -4.81 135.00 133.30 2ett n PRO 69 Ca -0.25 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 62.94 2ett n PRO 69 Cb 0.52 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.04 2ett n PRO 69 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2ett s ASP 70 N -1.35 4.90 0.07 3.54 2.15 -1.26 -4.95 116.67 119.77 2ett s ASP 70 Ca 0.00 0.61 0.04 0.00 0.43 0.00 0.00 52.55 53.63 2ett s ASP 70 Cb 0.00 -1.28 -0.03 0.00 -0.30 0.00 0.00 42.92 41.31 2ett s ASP 70 CO 0.00 -1.57 -0.12 0.72 -0.17 0.00 0.00 175.17 174.03 2ett s PHE 71 N -3.29 1.07 0.59 -5.34 -0.71 -1.26 -4.96 117.98 104.08 2ett s PHE 71 Ca 0.60 -0.50 -0.19 0.00 -1.04 0.00 0.00 56.93 55.79 2ett s PHE 71 Cb -0.11 -0.60 -0.03 0.00 -1.21 0.00 0.00 43.02 41.07 2ett s PHE 71 CO 0.46 0.02 1.26 -2.14 -1.34 0.00 0.00 175.22 173.48 2ett s PRO 72 N -1.90 2.92 0.00 1.99 0.02 -1.26 -5.03 135.00 131.74 2ett s PRO 72 Ca -0.02 1.98 0.00 0.00 0.02 0.00 0.00 61.00 62.97 2ett s PRO 72 Cb -0.09 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.44 2ett s PRO 72 CO 0.02 -1.28 0.00 0.45 -0.33 0.00 0.00 177.00 175.85 2ett n SER 73 N -1.51 0.80 -0.11 2.53 2.88 -1.26 -5.01 113.62 111.95 2ett n SER 73 Ca 0.13 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.60 2ett n SER 73 Cb 0.48 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.04 2ett n SER 73 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2ett h LYS 74 N 0.00 0.82 -5.56 -1.46 -0.00 -2.05 -3.37 116.57 104.95 2ett h LYS 74 Ca 0.00 -0.30 -0.63 0.00 -0.00 0.00 0.00 60.65 59.72 2ett h LYS 74 Cb 0.00 -0.06 -0.14 0.00 -0.00 0.00 0.00 32.23 32.03 2ett h LYS 74 CO 0.00 0.92 0.41 0.50 -0.00 0.00 0.00 179.45 181.28 2ett s ARG 75 N -4.75 3.25 0.09 0.07 6.06 -1.26 -4.98 118.95 117.44 2ett s ARG 75 Ca -0.10 -0.49 -0.06 0.00 -2.50 0.00 0.00 55.73 52.59 2ett s ARG 75 Cb 0.13 -4.08 -0.02 0.00 0.06 0.00 0.00 34.95 31.05 2ett s ARG 75 CO 0.83 -1.43 0.12 -1.17 -2.50 0.00 0.00 175.30 171.16 2ett s LEU 76 N 3.56 1.71 0.75 -0.88 2.96 -1.26 -5.13 118.68 120.39 2ett s LEU 76 Ca 0.25 -0.86 -0.17 0.00 -0.22 0.00 0.00 54.13 53.14 2ett s LEU 76 Cb -0.15 0.72 -0.14 0.00 0.50 0.00 0.00 46.19 47.12 2ett s LEU 76 CO 0.16 -0.72 -0.49 -2.65 -1.32 0.00 0.00 176.35 171.34 2ett n PRO 77 N -0.04 0.00 0.00 0.98 -0.02 -1.26 -4.88 135.00 129.78 2ett n PRO 77 Ca -0.12 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.50 2ett n PRO 77 Cb 0.62 -0.96 0.68 0.00 -0.02 0.00 0.00 33.50 33.82 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 2.94 0.71 0.00 2.55 5.15 -1.26 -4.94 115.26 120.41 2ett n ASN 78 Ca 0.02 -1.05 0.00 0.00 -0.60 0.00 0.00 54.58 52.95 2ett n ASN 78 Cb 0.50 -0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 2ett n ASN 78 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 2ett n TRP 79 N -0.56 0.00 -0.19 1.20 5.03 -1.26 -4.63 117.44 117.03 2ett n TRP 79 Ca 0.19 0.00 0.03 0.00 3.03 0.00 0.00 57.50 60.75 2ett n TRP 79 Cb 0.25 0.00 0.30 0.00 -1.03 0.00 0.00 31.31 30.84 2ett n TRP 79 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 2ett h ARG 80 N 0.00 0.85 -0.38 -0.99 2.43 -1.92 0.39 114.38 114.76 2ett h ARG 80 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2ett h ARG 80 Cb 0.00 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 2ett h ARG 80 CO 0.00 0.56 0.00 0.25 -1.51 0.00 0.00 179.97 179.27 2ett n THR 81 N -4.46 0.74 0.00 0.20 -2.24 -1.26 -4.52 114.28 102.75 2ett n THR 81 Ca 0.09 -0.87 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 2ett n THR 81 Cb 0.12 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 2ett n THR 81 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2ett n ARG 82 N 0.95 3.27 0.00 -0.78 3.00 -0.72 -5.12 116.66 117.26 2ett n ARG 82 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 2ett n ARG 82 Cb 0.48 -0.92 0.00 0.00 0.00 0.00 0.00 32.46 32.02 2ett n ARG 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2ett n GLY 83 N 2.59 2.48 0.10 5.14 0.00 0.13 -4.73 105.19 110.89 2ett n GLY 83 Ca 0.00 -1.66 0.12 0.00 0.00 0.00 0.00 46.02 44.48 2ett n GLY 83 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ett h LEU 84 N 0.00 0.00 -1.59 0.99 7.12 -1.96 -3.27 115.31 116.59 2ett h LEU 84 Ca 0.00 -0.12 0.09 0.00 0.13 0.00 0.00 57.88 57.98 2ett h LEU 84 Cb 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.09 2ett h LEU 84 CO 0.00 0.06 0.41 -0.08 -0.13 0.00 0.00 178.44 178.70 2ett h GLU 85 N 0.00 0.46 -0.42 1.25 4.81 -1.95 0.86 114.58 119.58 2ett h GLU 85 Ca 0.00 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 2ett h GLU 85 Cb 0.81 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 2ett h GLU 85 CO 0.00 0.30 0.13 0.37 -0.73 0.00 0.00 179.01 179.08 2ett h GLN 86 N 0.47 0.62 -0.12 1.92 5.75 -1.85 0.59 115.11 122.49 2ett h GLN 86 Ca 0.28 -0.10 -0.13 0.00 -0.15 0.00 0.00 58.65 58.55 2ett h GLN 86 Cb 0.47 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.92 2ett h GLN 86 CO -0.08 0.54 -0.43 -0.09 -2.65 0.00 0.00 178.83 176.12 2ett h ARG 87 N 0.61 0.51 -0.48 1.69 2.43 -1.06 -2.28 114.38 115.79 2ett h ARG 87 Ca 0.14 -0.38 0.10 0.00 -0.81 0.00 0.00 59.98 59.03 2ett h ARG 87 Cb 0.18 0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 29.71 2ett h ARG 87 CO -0.01 1.01 -0.11 0.00 -1.51 0.00 0.00 179.97 179.34 2ett h ARG 88 N 0.11 0.00 0.14 0.20 3.08 -0.99 -1.60 114.38 115.33 2ett h ARG 88 Ca -0.02 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.05 2ett h ARG 88 Cb 1.06 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.06 2ett h ARG 88 CO 0.09 0.00 -0.38 0.37 -1.07 0.00 0.00 179.97 178.98 2ett h GLN 89 N 0.00 -0.60 0.02 0.04 5.75 -0.65 0.27 115.11 119.94 2ett h GLN 89 Ca 0.23 0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.77 2ett h GLN 89 Cb 0.35 0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.04 2ett h GLN 89 CO -0.49 -0.40 -0.01 0.78 -2.65 0.00 0.00 178.83 176.06 2ett h GLY 90 N -0.63 -0.03 1.69 2.39 0.00 -1.25 -1.69 103.07 103.55 2ett h GLY 90 Ca 0.02 0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 2ett h GLY 90 CO -0.21 -0.01 -0.33 1.41 0.00 0.00 0.00 176.54 177.39 2ett h LEU 91 N -0.27 0.36 -0.35 3.11 -0.00 -1.19 -2.44 115.31 114.53 2ett h LEU 91 Ca -0.00 -0.13 -0.06 0.00 -0.00 0.00 0.00 57.88 57.68 2ett h LEU 91 Cb 0.25 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.80 2ett h LEU 91 CO 0.01 0.68 -0.02 -0.08 -0.00 0.00 0.00 178.44 179.02 2ett h GLU 92 N 0.30 0.63 -0.58 1.13 4.81 -0.45 -2.11 114.58 118.33 2ett h GLU 92 Ca 0.04 -0.22 0.06 0.00 -0.13 0.00 0.00 59.36 59.11 2ett h GLU 92 Cb 0.74 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 2ett h GLU 92 CO 0.06 0.77 0.38 0.00 -0.73 0.00 0.00 179.01 179.49 2ett h ALA 93 N 0.85 1.84 0.09 2.92 0.00 -0.91 0.27 119.26 124.31 2ett h ALA 93 Ca 0.10 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.73 2ett h ALA 93 Cb 0.50 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2ett h ALA 93 CO 0.02 0.07 -1.15 1.88 0.00 0.00 0.00 179.25 180.07 2ett h TYR 94 N 0.55 0.44 -0.18 0.00 0.05 -1.24 0.54 116.97 117.14 2ett h TYR 94 Ca 0.25 -0.31 -0.09 0.00 0.05 0.00 0.00 58.73 58.63 2ett h TYR 94 Cb 0.28 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.00 2ett h TYR 94 CO -0.00 1.21 -0.24 0.82 -1.05 0.00 0.00 178.16 178.90 2ett h ILE 95 N 0.09 1.34 -0.36 -2.88 1.08 -0.67 -2.21 117.51 113.91 2ett h ILE 95 Ca -0.11 -1.45 -0.02 0.00 -0.39 0.00 0.00 64.86 62.89 2ett h ILE 95 Cb 1.86 1.87 -0.02 0.00 -3.07 0.00 0.00 36.82 37.46 2ett h ILE 95 CO 0.19 0.44 0.13 -0.61 -0.69 0.00 0.00 178.15 177.60 2ett h GLN 96 N 0.12 0.51 0.58 2.37 4.15 -0.56 0.09 115.11 122.36 2ett h GLN 96 Ca 0.02 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 2ett h GLN 96 Cb 0.81 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.40 2ett h GLN 96 CO 0.06 0.43 -0.33 0.78 -1.93 0.00 0.00 178.83 177.85 2ett h GLY 97 N 0.68 -0.89 1.89 2.39 0.00 -0.70 0.74 103.07 107.17 2ett h GLY 97 Ca 0.12 0.36 -0.08 0.00 0.00 0.00 0.00 47.33 47.74 2ett h GLY 97 CO -0.01 -0.33 -0.32 0.16 0.00 0.00 0.00 176.54 176.05 2ett h ILE 98 N -0.84 1.25 0.00 2.60 3.07 -1.10 0.41 117.51 122.90 2ett h ILE 98 Ca -0.07 -1.20 -0.04 0.00 1.55 0.00 0.00 64.86 65.09 2ett h ILE 98 Cb 0.67 1.55 -0.01 0.00 -0.27 0.00 0.00 36.82 38.77 2ett h ILE 98 CO 0.09 0.35 -0.20 0.25 -1.05 0.00 0.00 178.15 177.60 2ett h LEU 99 N 0.12 0.00 0.09 0.16 7.12 -0.79 -2.97 115.31 119.04 2ett h LEU 99 Ca 0.02 0.00 -0.35 0.00 0.13 0.00 0.00 57.88 57.67 2ett h LEU 99 Cb 0.62 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.73 2ett h LEU 99 CO 0.05 0.20 -1.98 0.00 -0.13 0.00 0.00 178.44 176.57 2ett n TYR 100 N -4.29 1.12 0.40 1.25 9.36 0.24 -3.62 117.16 121.63 2ett n TYR 100 Ca -0.02 0.27 -0.18 0.00 3.32 0.00 0.00 57.90 61.28 2ett n TYR 100 Cb 0.26 -1.16 -0.09 0.00 -0.63 0.00 0.00 39.34 37.72 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 0.05 -0.84 0.00 2.98 3.38 -0.10 -3.47 115.31 117.31 2ett h LEU 101 Ca -0.41 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2ett h LEU 101 Cb 2.03 0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.99 2ett h LEU 101 CO 0.08 -0.60 0.00 -3.20 0.09 0.00 0.00 178.44 174.81 2ett n ASN 102 N -5.52 -1.73 0.13 -0.43 5.15 -1.14 -4.97 115.26 106.75 2ett n ASN 102 Ca -0.14 0.46 0.13 0.00 -0.60 0.00 0.00 54.58 54.43 2ett n ASN 102 Cb 0.40 1.79 0.42 0.00 -0.53 0.00 0.00 39.78 41.86 2ett n ASN 102 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 2ett h GLN 103 N 0.00 0.00 0.00 1.20 1.08 -1.87 -3.47 115.11 112.05 2ett h GLN 103 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2ett h GLN 103 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2ett h GLN 103 CO 0.00 0.00 0.00 0.39 -0.95 0.00 0.00 178.83 178.27 2ett n GLU 104 N -2.35 0.00 -3.91 1.46 1.02 -1.20 -3.78 120.64 111.87 2ett n GLU 104 Ca 0.04 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.88 2ett n GLU 104 Cb 0.39 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.66 2ett n GLU 104 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2ett s VAL 105 N 0.00 1.78 0.31 2.62 0.11 -1.26 -3.66 120.40 120.30 2ett s VAL 105 Ca 0.00 -2.05 -0.29 0.00 -2.93 0.00 0.00 61.98 56.72 2ett s VAL 105 Cb 0.00 -2.32 -0.13 0.00 -1.53 0.00 0.00 36.38 32.40 2ett s VAL 105 CO 0.00 -0.64 1.28 -2.65 -3.33 0.00 0.00 175.10 169.77 2ett n PRO 106 N 4.42 2.01 0.31 1.54 -0.02 -1.25 -4.85 135.00 137.16 2ett n PRO 106 Ca 0.02 0.71 0.18 0.00 -2.02 0.00 0.00 63.50 62.39 2ett n PRO 106 Cb 0.42 -2.28 1.02 0.00 -0.02 0.00 0.00 33.50 32.63 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 2.87 0.00 -0.65 -0.52 3.11 -1.99 0.64 116.57 120.02 2ett h LYS 107 Ca -0.45 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.37 2ett h LYS 107 Cb 1.29 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.49 2ett h LYS 107 CO 0.65 0.00 0.32 1.49 -2.81 0.00 0.00 179.45 179.11 2ett h GLU 108 N 0.00 0.92 -0.20 1.90 4.81 -1.99 -1.72 114.58 118.29 2ett h GLU 108 Ca 0.01 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 2ett h GLU 108 Cb 0.07 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2ett h GLU 108 CO -0.00 0.71 -0.15 -0.07 -0.73 0.00 0.00 179.01 178.76 2ett h LEU 109 N 0.92 0.33 -0.76 1.64 -0.00 -1.22 0.11 115.31 116.34 2ett h LEU 109 Ca 0.23 -0.08 -0.02 0.00 -0.00 0.00 0.00 57.88 58.01 2ett h LEU 109 Cb 0.08 -0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 40.62 2ett h LEU 109 CO -0.03 0.51 0.39 -0.07 -0.00 0.00 0.00 178.44 179.24 2ett h LEU 110 N 0.32 0.96 -0.09 1.67 4.07 -1.34 0.31 115.31 121.21 2ett h LEU 110 Ca 0.06 -0.11 -0.00 0.00 0.08 0.00 0.00 57.88 57.91 2ett h LEU 110 Cb 0.47 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.96 2ett h LEU 110 CO 0.03 0.80 -0.01 -0.33 -1.08 0.00 0.00 178.44 177.85 2ett h GLU 111 N 1.05 0.00 0.00 1.13 4.39 -0.96 -0.32 114.58 119.88 2ett h GLU 111 Ca 0.26 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.87 2ett h GLU 111 Cb 0.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2ett h GLU 111 CO -0.04 0.01 -0.54 0.35 -1.16 0.00 0.00 179.01 177.63 2ett h PHE 112 N 0.00 0.00 -0.01 4.33 3.57 0.42 -3.35 116.94 121.90 2ett h PHE 112 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2ett h PHE 112 Cb 0.98 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.72 2ett h PHE 112 CO 0.00 1.01 -0.23 1.28 -2.23 0.00 0.00 178.31 178.14 2ett n LEU 113 N -4.56 1.76 -2.74 0.59 4.77 -0.02 -4.97 117.00 111.84 2ett n LEU 113 Ca -0.18 -0.83 -0.09 0.00 -0.03 0.00 0.00 56.01 54.88 2ett n LEU 113 Cb 0.50 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.63 2ett n LEU 113 CO 0.23 0.33 0.06 -1.14 -1.33 0.00 0.00 177.39 175.53 2ett n ARG 114 N 0.13 -1.52 -0.13 3.23 0.63 -1.06 -4.95 116.66 112.99 2ett n ARG 114 Ca 0.07 0.71 0.12 0.00 -0.92 0.00 0.00 57.85 57.83 2ett n ARG 114 Cb 0.34 -4.62 0.22 0.00 0.45 0.00 0.00 32.46 28.85 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 -2.57 3.12 -4.68 6.15 4.77 -0.15 -4.98 117.00 118.65 2ett n LEU 115 Ca -0.04 -1.27 -0.46 0.00 -0.03 0.00 0.00 56.01 54.21 2ett n LEU 115 Cb 0.57 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 2ett n LEU 115 CO 0.42 0.63 1.41 -1.14 -1.33 0.00 0.00 177.39 177.38 2ett n ARG 116 N 1.30 2.35 -1.98 3.23 0.63 -1.08 -3.99 116.66 117.12 2ett n ARG 116 Ca 0.18 0.86 -0.02 0.00 -0.92 0.00 0.00 57.85 57.94 2ett n ARG 116 Cb 0.57 -2.70 -0.02 0.00 0.45 0.00 0.00 32.46 30.76 2ett n ARG 116 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2ett n HIS 117 N 5.55 -1.93 -3.82 -0.14 -0.00 -1.26 -5.06 115.22 108.55 2ett n HIS 117 Ca 0.20 1.09 -0.33 0.00 -0.00 0.00 0.00 57.72 58.69 2ett n HIS 117 Cb 0.32 -2.56 -0.05 0.00 -0.00 0.00 0.00 29.99 27.70 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 -0.34 3.54 -0.34 1.57 0.40 -1.26 -5.04 117.98 116.50 2ett s PHE 118 Ca -0.11 0.43 -0.29 0.00 -0.60 0.00 0.00 56.93 56.36 2ett s PHE 118 Cb 0.01 -1.89 -0.01 0.00 0.51 0.00 0.00 43.02 41.64 2ett s PHE 118 CO 0.35 0.58 1.62 -2.14 0.70 0.00 0.00 175.22 176.33 2ett s PRO 119 N -2.17 3.50 0.00 0.24 0.02 -1.26 -4.85 135.00 130.48 2ett s PRO 119 Ca 0.32 1.28 0.25 0.00 0.02 0.00 0.00 61.00 62.87 2ett s PRO 119 Cb -0.13 -4.10 0.91 0.00 0.02 0.00 0.00 34.50 31.19 2ett s PRO 119 CO 0.22 -1.65 1.65 -2.37 -0.33 0.00 0.00 177.00 174.51 2ett n THR 120 N 7.14 0.09 -2.39 0.99 5.66 -1.26 -4.57 114.28 119.94 2ett n THR 120 Ca 0.20 -0.30 -0.43 0.00 -3.05 0.00 0.00 64.05 60.47 2ett n THR 120 Cb 0.47 0.47 -0.02 0.00 -1.55 0.00 0.00 70.33 69.69 2ett n THR 120 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2ett s ASP 121 N -1.81 6.81 0.05 1.09 -4.77 -1.26 -4.67 116.67 112.11 2ett s ASP 121 Ca 0.36 1.54 -0.30 0.00 -3.30 0.00 0.00 52.55 50.84 2ett s ASP 121 Cb 0.20 -2.54 -0.05 0.00 -1.09 0.00 0.00 42.92 39.44 2ett s ASP 121 CO 0.30 -0.90 1.08 -2.16 0.70 0.00 0.00 175.17 174.19 2ett s PRO 122 N 3.82 4.53 -0.36 2.11 0.04 -1.26 -4.65 135.00 139.23 2ett s PRO 122 Ca 0.57 1.60 -0.03 0.00 0.04 0.00 0.00 61.00 63.17 2ett s PRO 122 Cb -0.21 -3.39 0.19 0.00 0.04 0.00 0.00 34.50 31.14 2ett s PRO 122 CO 0.19 -0.09 0.92 0.21 0.04 0.00 0.00 177.00 178.26 2ett s LYS 123 N 0.78 0.40 -0.23 4.56 2.36 0.41 -4.98 119.74 123.04 2ett s LYS 123 Ca 0.54 -0.17 -0.04 0.00 -2.55 0.00 0.00 55.97 53.75 2ett s LYS 123 Cb -0.26 0.04 0.09 0.00 -1.05 0.00 0.00 37.83 36.66 2ett s LYS 123 CO 0.29 -0.57 0.17 0.00 1.55 0.00 0.00 175.35 176.80 2ett s ALA 124 N 1.81 0.12 -0.93 3.13 0.00 -1.12 -4.67 121.76 120.11 2ett s ALA 124 Ca 0.16 -0.36 -0.24 0.00 0.00 0.00 0.00 51.96 51.52 2ett s ALA 124 Cb 0.02 -1.35 0.03 0.00 0.00 0.00 0.00 23.12 21.82 2ett s ALA 124 CO -0.12 -1.41 1.47 -1.12 0.00 0.00 0.00 175.76 174.58 2ett s SER 125 N 2.22 6.25 -0.07 0.00 0.01 -1.26 -4.89 113.70 115.96 2ett s SER 125 Ca 0.07 -1.07 -0.03 0.00 1.31 0.00 0.00 55.95 56.23 2ett s SER 125 Cb -0.16 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.55 2ett s SER 125 CO -0.22 -1.73 0.09 0.21 0.41 0.00 0.00 173.24 172.00 2ett s ASN 126 N 5.06 1.24 0.07 2.44 3.84 -1.26 -5.14 114.94 121.19 2ett s ASN 126 Ca 0.46 0.02 0.06 0.00 0.21 0.00 0.00 52.86 53.61 2ett s ASN 126 Cb -0.03 -0.05 -0.03 0.00 -0.55 0.00 0.00 41.25 40.59 2ett s ASN 126 CO -0.02 -0.27 -0.16 0.86 -2.79 0.00 0.00 177.10 174.72 2ett s TRP 127 N 2.20 1.38 0.00 0.43 -0.00 -1.26 -5.26 118.94 116.42 2ett s TRP 127 Ca 0.04 -0.42 0.00 0.00 -0.00 0.00 0.00 56.10 55.72 2ett s TRP 127 Cb -0.13 -0.78 0.00 0.00 -0.00 0.00 0.00 33.47 32.56 2ett s TRP 127 CO -0.05 0.09 0.00 0.41 -0.00 0.00 0.00 176.95 177.40