#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 2.61 -1.08 1.61 4.02 -1.26 -4.92 115.29 116.27 2ett s HIS 2 Ca 0.00 -0.79 -0.15 0.00 1.02 0.00 0.00 55.06 55.14 2ett s HIS 2 Cb 0.00 -4.58 0.18 0.00 -1.02 0.00 0.00 32.58 27.16 2ett s HIS 2 CO 0.00 -1.86 1.24 -1.58 1.02 0.00 0.00 174.74 173.56 2ett s HIS 3 N 4.61 3.50 0.00 1.40 5.65 -1.26 -4.83 115.29 124.36 2ett s HIS 3 Ca 0.40 -1.96 0.00 0.00 0.25 0.00 0.00 55.06 53.75 2ett s HIS 3 Cb -0.03 -4.20 0.00 0.00 -1.18 0.00 0.00 32.58 27.16 2ett s HIS 3 CO -0.04 -1.33 0.00 -2.39 -0.65 0.00 0.00 174.74 170.32 2ett n HIS 4 N 5.42 0.00 -3.37 3.88 -0.00 -1.26 -5.09 115.22 114.80 2ett n HIS 4 Ca 0.29 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.75 2ett n HIS 4 Cb 0.45 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.34 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 0.00 -0.48 -3.53 -1.40 -0.00 -1.26 -5.06 115.22 103.48 2ett n HIS 5 Ca 0.00 -3.44 -0.41 0.00 -0.00 0.00 0.00 57.72 53.87 2ett n HIS 5 Cb 0.00 0.06 -0.06 0.00 -0.00 0.00 0.00 29.99 29.99 2ett n HIS 5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ett s HIS 6 N -0.37 3.64 -0.27 -1.40 5.65 -1.26 -4.52 115.29 116.76 2ett s HIS 6 Ca 0.33 -2.46 0.10 0.00 0.25 0.00 0.00 55.06 53.28 2ett s HIS 6 Cb 0.07 -3.48 0.32 0.00 -1.18 0.00 0.00 32.58 28.31 2ett s HIS 6 CO -0.17 -0.89 1.42 -2.39 -0.65 0.00 0.00 174.74 172.05 2ett n HIS 7 N 3.51 -1.64 -2.19 3.88 -0.00 -1.26 -4.74 115.22 112.79 2ett n HIS 7 Ca 0.13 -1.45 -0.42 0.00 -0.00 0.00 0.00 57.72 55.97 2ett n HIS 7 Cb 0.41 1.34 -0.03 0.00 -0.00 0.00 0.00 29.99 31.72 2ett n HIS 7 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.34 175.86 2ett s LEU 8 N -3.26 4.31 -0.76 2.39 0.05 -1.26 -3.59 118.68 116.56 2ett s LEU 8 Ca 0.07 2.13 -0.00 0.00 0.05 0.00 0.00 54.13 56.38 2ett s LEU 8 Cb 0.35 -3.56 -0.00 0.00 -2.05 0.00 0.00 46.19 40.94 2ett s LEU 8 CO -0.10 -0.76 0.71 -0.62 -0.55 0.00 0.00 176.35 175.02 2ett n GLU 9 N 5.68 -1.37 -3.97 1.48 4.71 -1.26 -3.20 120.64 122.72 2ett n GLU 9 Ca 0.14 1.44 -0.32 0.00 -0.01 0.00 0.00 57.16 58.41 2ett n GLU 9 Cb 0.43 -5.64 -0.14 0.00 -1.01 0.00 0.00 31.44 25.08 2ett n GLU 9 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2ett s LEU 10 N -4.11 4.77 -0.31 -4.62 2.01 -1.24 0.25 118.68 115.43 2ett s LEU 10 Ca 0.02 -2.06 -0.09 0.00 0.01 0.00 0.00 54.13 52.01 2ett s LEU 10 Cb -0.00 -1.67 0.00 0.00 0.01 0.00 0.00 46.19 44.53 2ett s LEU 10 CO 0.76 -0.40 0.13 -1.61 1.01 0.00 0.00 176.35 176.23 2ett s GLU 11 N 0.97 3.18 -0.06 1.70 0.41 -0.78 -4.91 118.70 119.21 2ett s GLU 11 Ca 0.09 -0.81 0.03 0.00 -0.41 0.00 0.00 54.97 53.87 2ett s GLU 11 Cb -0.20 -3.50 0.00 0.00 -1.78 0.00 0.00 34.13 28.65 2ett s GLU 11 CO -0.07 -0.46 -0.16 0.08 -0.49 0.00 0.00 175.26 174.17 2ett s VAL 12 N 1.56 1.39 0.05 2.63 1.01 -1.26 0.04 120.40 125.82 2ett s VAL 12 Ca 0.03 -0.65 -0.27 0.00 0.00 0.00 0.00 61.98 61.09 2ett s VAL 12 Cb -0.17 -1.23 0.08 0.00 0.00 0.00 0.00 36.38 35.06 2ett s VAL 12 CO 0.05 0.41 0.67 -1.38 0.00 0.00 0.00 175.10 174.85 2ett s HIS 13 N 0.37 -0.57 -0.51 5.22 -3.43 -0.18 -4.92 115.29 111.27 2ett s HIS 13 Ca -0.11 0.66 -0.07 0.00 -0.80 0.00 0.00 55.06 54.73 2ett s HIS 13 Cb -0.14 0.49 0.13 0.00 -1.43 0.00 0.00 32.58 31.63 2ett s HIS 13 CO 0.04 -0.71 0.36 0.42 -2.00 0.00 0.00 174.74 172.85 2ett s ILE 14 N -2.56 4.00 0.24 -5.38 1.01 -1.26 -0.66 121.20 116.59 2ett s ILE 14 Ca -0.04 -2.10 0.07 0.00 0.00 0.00 0.00 60.65 58.58 2ett s ILE 14 Cb -0.01 -3.64 -0.06 0.00 0.01 0.00 0.00 42.46 38.76 2ett s ILE 14 CO -0.03 -0.79 1.54 1.55 0.00 0.00 0.00 174.94 177.21 2ett h PRO 15 N 8.07 0.11 -2.64 2.79 0.13 -1.94 -3.44 132.00 135.07 2ett h PRO 15 Ca -0.14 -0.09 -0.10 0.00 -0.87 0.00 0.00 66.00 64.81 2ett h PRO 15 Cb 1.04 0.02 -0.20 0.00 0.13 0.00 0.00 31.00 31.99 2ett h PRO 15 CO 0.79 0.74 -0.11 -1.12 -0.23 0.00 0.00 178.00 178.07 2ett s SER 16 N -6.87 -0.38 -0.06 1.44 0.01 -1.26 -5.05 113.70 101.53 2ett s SER 16 Ca -0.02 0.42 0.03 0.00 1.31 0.00 0.00 55.95 57.69 2ett s SER 16 Cb 0.12 0.49 0.01 0.00 0.21 0.00 0.00 66.02 66.84 2ett s SER 16 CO 0.79 -0.46 -0.16 -0.69 0.41 0.00 0.00 173.24 173.14 2ett s VAL 17 N -1.04 1.37 0.11 3.43 1.01 -1.26 -0.59 120.40 123.43 2ett s VAL 17 Ca -0.11 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 2ett s VAL 17 Cb -0.03 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.14 2ett s VAL 17 CO 0.05 0.40 0.26 -0.83 0.00 0.00 0.00 175.10 174.99 2ett s GLY 18 N 0.39 0.01 -0.99 4.51 0.00 -0.19 -4.95 107.32 106.10 2ett s GLY 18 Ca -0.11 -0.47 -0.21 0.00 0.00 0.00 0.00 44.72 43.92 2ett s GLY 18 CO 0.04 -0.66 1.32 2.56 0.00 0.00 0.00 173.10 176.36 2ett s PRO 19 N -3.85 3.61 0.00 2.90 0.04 -1.26 -0.39 135.00 136.04 2ett s PRO 19 Ca 0.05 -1.41 0.04 0.00 0.04 0.00 0.00 61.00 59.72 2ett s PRO 19 Cb 0.04 -5.18 0.07 0.00 0.04 0.00 0.00 34.50 29.47 2ett s PRO 19 CO -0.10 -2.03 0.95 -0.85 0.04 0.00 0.00 177.00 175.01 2ett n GLU 20 N 7.89 0.00 -4.16 4.56 0.28 -0.63 -4.92 120.64 123.66 2ett n GLU 20 Ca 0.30 -1.02 -0.23 0.00 -0.16 0.00 0.00 57.16 56.05 2ett n GLU 20 Cb 0.50 -0.30 -0.05 0.00 1.43 0.00 0.00 31.44 33.02 2ett n GLU 20 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ett s ALA 21 N 0.00 3.47 0.38 -1.84 0.00 -0.55 -4.93 121.76 118.28 2ett s ALA 21 Ca 0.06 -1.45 -0.09 0.00 0.00 0.00 0.00 51.96 50.48 2ett s ALA 21 Cb 0.07 -1.17 -0.06 0.00 0.00 0.00 0.00 23.12 21.96 2ett s ALA 21 CO -0.03 0.29 0.71 -1.83 0.00 0.00 0.00 175.76 174.91 2ett s GLU 22 N -3.67 3.72 -0.60 0.00 4.04 -1.26 -4.34 118.70 116.59 2ett s GLU 22 Ca 0.32 0.33 -0.02 0.00 0.04 0.00 0.00 54.97 55.64 2ett s GLU 22 Cb -0.08 -2.46 0.16 0.00 0.02 0.00 0.00 34.13 31.77 2ett s GLU 22 CO 0.23 0.02 0.40 0.20 -1.84 0.00 0.00 175.26 174.27 2ett s GLY 23 N -3.23 2.49 -0.00 -3.83 0.00 -1.15 -4.17 107.32 97.42 2ett s GLY 23 Ca 0.49 -3.25 -0.02 0.00 0.00 0.00 0.00 44.72 41.94 2ett s GLY 23 CO 0.32 1.08 0.46 -0.56 0.00 0.00 0.00 173.10 174.40 2ett h PRO 24 N 6.96 -0.08 0.00 2.90 0.13 -1.97 -3.50 132.00 136.44 2ett h PRO 24 Ca -0.03 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2ett h PRO 24 Cb 0.94 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2ett h PRO 24 CO 0.71 -0.05 0.00 0.54 -0.23 0.00 0.00 178.00 178.96 2ett n ARG 25 N -2.45 0.00 -1.95 0.86 1.74 -1.26 -5.07 116.66 108.53 2ett n ARG 25 Ca -0.01 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.69 2ett n ARG 25 Cb 0.03 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.44 2ett n ARG 25 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2ett s GLN 26 N -1.59 2.51 0.32 5.56 0.74 -1.26 -4.74 119.66 121.20 2ett s GLN 26 Ca 0.00 0.73 -0.02 0.00 0.05 0.00 0.00 55.36 56.12 2ett s GLN 26 Cb 0.00 -4.45 -0.04 0.00 1.10 0.00 0.00 33.01 29.62 2ett s GLN 26 CO 0.00 -2.87 0.55 -1.12 -0.55 0.00 0.00 175.29 171.31 2ett s SER 27 N 8.89 6.36 0.20 6.67 0.01 -1.26 -5.00 113.70 129.57 2ett s SER 27 Ca 0.73 0.59 -0.18 0.00 1.31 0.00 0.00 55.95 58.40 2ett s SER 27 Cb -0.13 -2.09 0.17 0.00 0.21 0.00 0.00 66.02 64.18 2ett s SER 27 CO 0.21 -0.25 1.59 -0.65 0.41 0.00 0.00 173.24 174.55 2ett h PRO 28 N 1.20 -0.11 -6.30 12.44 0.11 -1.94 -3.37 132.00 134.03 2ett h PRO 28 Ca -0.48 0.01 -0.59 0.00 0.11 0.00 0.00 66.00 65.04 2ett h PRO 28 Cb 1.20 0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.23 2ett h PRO 28 CO 0.64 -0.07 -0.65 -2.00 -0.21 0.00 0.00 178.00 175.71 2ett s GLU 29 N -6.05 2.42 0.12 1.05 2.12 -1.26 -4.85 118.70 112.24 2ett s GLU 29 Ca -0.14 -1.16 -0.31 0.00 0.36 0.00 0.00 54.97 53.71 2ett s GLU 29 Cb 0.17 -2.33 -0.09 0.00 0.26 0.00 0.00 34.13 32.14 2ett s GLU 29 CO 0.71 0.43 1.66 0.15 -0.54 0.00 0.00 175.26 177.67 2ett s LYS 30 N -3.14 4.19 -0.96 4.30 -0.14 -1.26 -4.85 119.74 117.88 2ett s LYS 30 Ca 0.28 2.41 -0.19 0.00 -1.36 0.00 0.00 55.97 57.12 2ett s LYS 30 Cb -0.09 -3.42 0.13 0.00 -1.68 0.00 0.00 37.83 32.77 2ett s LYS 30 CO 0.19 -0.71 1.18 0.45 -0.76 0.00 0.00 175.35 175.69 2ett s SER 31 N 1.97 6.65 0.00 2.83 0.15 -1.26 -4.11 113.70 119.94 2ett s SER 31 Ca 0.74 -2.08 0.00 0.00 0.70 0.00 0.00 55.95 55.31 2ett s SER 31 Cb -0.43 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.47 2ett s SER 31 CO 0.33 -1.07 0.00 1.57 1.20 0.00 0.00 173.24 175.26 2ett n HIS 32 N 6.65 0.00 -5.14 3.44 -0.00 -1.26 -2.92 115.22 115.99 2ett n HIS 32 Ca 0.26 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.67 2ett n HIS 32 Cb 0.49 0.03 -0.15 0.00 -0.00 0.00 0.00 29.99 30.35 2ett n HIS 32 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2ett s MET 33 N 0.00 1.99 -0.04 1.57 -1.94 -1.26 -1.48 119.30 118.14 2ett s MET 33 Ca 0.00 -1.00 -0.03 0.00 -1.71 0.00 0.00 55.69 52.94 2ett s MET 33 Cb 0.00 -2.02 0.01 0.00 2.01 0.00 0.00 34.83 34.83 2ett s MET 33 CO 0.00 0.54 0.10 0.54 -0.01 0.00 0.00 175.02 176.19 2ett s VAL 34 N -0.69 -0.00 -0.05 -6.03 0.11 0.47 -4.50 120.40 109.71 2ett s VAL 34 Ca 0.11 0.02 -0.01 0.00 -2.93 0.00 0.00 61.98 59.16 2ett s VAL 34 Cb -0.10 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.56 2ett s VAL 34 CO 0.00 0.01 0.04 0.72 -3.33 0.00 0.00 175.10 172.54 2ett s PHE 35 N 0.14 3.23 -0.34 1.54 -0.12 -0.75 -1.02 117.98 120.66 2ett s PHE 35 Ca -0.01 0.21 -0.20 0.00 -0.05 0.00 0.00 56.93 56.89 2ett s PHE 35 Cb -0.02 -1.77 -0.00 0.00 -0.63 0.00 0.00 43.02 40.60 2ett s PHE 35 CO -0.00 0.52 0.60 1.03 -0.05 0.00 0.00 175.22 177.32 2ett s ARG 36 N -1.28 3.71 -0.40 1.99 3.00 0.24 0.49 118.95 126.72 2ett s ARG 36 Ca 0.17 0.04 -0.19 0.00 0.00 0.00 0.00 55.73 55.76 2ett s ARG 36 Cb -0.12 -3.79 0.01 0.00 0.00 0.00 0.00 34.95 31.06 2ett s ARG 36 CO 0.07 -0.67 0.52 0.14 0.00 0.00 0.00 175.30 175.37 2ett s VAL 37 N 2.59 4.99 -0.30 3.52 -7.23 0.13 -3.50 120.40 120.59 2ett s VAL 37 Ca 0.23 0.04 -0.11 0.00 -1.81 0.00 0.00 61.98 60.33 2ett s VAL 37 Cb -0.15 -4.06 -0.03 0.00 0.56 0.00 0.00 36.38 32.70 2ett s VAL 37 CO 0.14 -0.39 0.19 -0.70 -0.31 0.00 0.00 175.10 174.03 2ett s GLU 38 N 2.43 3.70 -0.16 4.82 2.12 0.16 -0.47 118.70 131.30 2ett s GLU 38 Ca 0.18 -0.49 0.02 0.00 0.36 0.00 0.00 54.97 55.03 2ett s GLU 38 Cb -0.16 -3.67 0.02 0.00 0.26 0.00 0.00 34.13 30.58 2ett s GLU 38 CO 0.15 -0.30 -0.20 0.08 -0.54 0.00 0.00 175.26 174.45 2ett s VAL 39 N 1.72 1.98 -0.23 3.70 1.01 -0.41 -1.02 120.40 127.15 2ett s VAL 39 Ca 0.06 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 60.99 2ett s VAL 39 Cb -0.17 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2ett s VAL 39 CO 0.10 0.53 0.36 -0.22 0.00 0.00 0.00 175.10 175.87 2ett s LEU 40 N 1.13 4.10 -0.30 3.92 0.20 0.11 -1.25 118.68 126.58 2ett s LEU 40 Ca 0.00 0.37 0.02 0.00 0.69 0.00 0.00 54.13 55.22 2ett s LEU 40 Cb -0.14 -2.43 0.09 0.00 -0.43 0.00 0.00 46.19 43.28 2ett s LEU 40 CO -0.08 -0.10 0.03 0.00 -0.29 0.00 0.00 176.35 175.90 2ett n SER 42 N 4.50 -5.20 0.00 0.00 7.64 0.14 -2.05 113.62 118.65 2ett n SER 42 Ca -0.02 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.32 2ett n SER 42 Cb 0.42 -4.60 0.00 0.00 -1.01 0.00 0.00 64.21 59.02 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 -0.40 3.83 3.68 0.23 0.00 -1.26 -5.02 105.19 106.25 2ett n GLY 43 Ca -0.20 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 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 4.34 -0.11 1.61 3.00 -0.87 -5.01 118.95 121.91 2ett s ARG 44 Ca 0.00 1.63 0.01 0.00 0.00 0.00 0.00 55.73 57.37 2ett s ARG 44 Cb 0.00 -3.59 -0.01 0.00 0.00 0.00 0.00 34.95 31.35 2ett s ARG 44 CO 0.00 -0.47 -0.16 -0.98 0.00 0.00 0.00 175.30 173.69 2ett s ARG 45 N 2.40 3.20 -0.04 3.54 3.03 -1.26 0.45 118.95 130.27 2ett s ARG 45 Ca 0.54 -0.73 -0.00 0.00 2.03 0.00 0.00 55.73 57.56 2ett s ARG 45 Cb -0.23 -2.52 0.03 0.00 -1.03 0.00 0.00 34.95 31.19 2ett s ARG 45 CO 0.20 0.25 0.01 -3.38 -1.13 0.00 0.00 175.30 171.25 2ett s HIS 46 N 0.22 0.36 -0.51 5.89 -3.43 -0.38 -4.44 115.29 113.01 2ett s HIS 46 Ca -0.10 0.01 -0.25 0.00 -0.80 0.00 0.00 55.06 53.91 2ett s HIS 46 Cb -0.16 -0.52 0.03 0.00 -1.43 0.00 0.00 32.58 30.51 2ett s HIS 46 CO 0.06 -0.19 0.97 0.99 -2.00 0.00 0.00 174.74 174.57 2ett s THR 47 N 1.47 4.38 -0.22 -5.38 2.01 -1.26 -1.28 115.64 115.35 2ett s THR 47 Ca -0.03 0.60 -0.01 0.00 0.31 0.00 0.00 61.69 62.55 2ett s THR 47 Cb -0.13 -4.52 0.02 0.00 0.01 0.00 0.00 72.50 67.89 2ett s THR 47 CO -0.03 -1.01 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.10 2ett s VAL 48 N 3.99 2.65 0.28 3.82 1.01 0.38 -4.90 120.40 127.63 2ett s VAL 48 Ca 0.35 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 2ett s VAL 48 Cb -0.11 -2.27 -0.11 0.00 0.00 0.00 0.00 36.38 33.89 2ett s VAL 48 CO 0.24 0.32 1.50 -2.84 0.00 0.00 0.00 175.10 174.32 2ett s PRO 49 N 1.32 4.19 -0.05 2.72 0.02 -1.26 0.21 135.00 142.16 2ett s PRO 49 Ca 0.02 2.44 -0.00 0.00 0.02 0.00 0.00 61.00 63.48 2ett s PRO 49 Cb -0.15 -3.06 0.03 0.00 0.02 0.00 0.00 34.50 31.34 2ett s PRO 49 CO -0.07 -0.51 -0.01 0.50 -0.33 0.00 0.00 177.00 176.58 2ett s ARG 50 N -0.67 0.54 0.53 5.54 6.06 0.18 -4.87 118.95 126.26 2ett s ARG 50 Ca 0.60 0.06 -0.18 0.00 -2.50 0.00 0.00 55.73 53.70 2ett s ARG 50 Cb -0.45 -0.77 -0.07 0.00 0.06 0.00 0.00 34.95 33.73 2ett s ARG 50 CO 0.48 -0.19 1.03 0.50 -2.50 0.00 0.00 175.30 174.61 2ett s ARG 51 N 1.41 3.69 0.05 5.12 3.00 -1.26 -1.80 118.95 129.16 2ett s ARG 51 Ca -0.04 1.20 -0.23 0.00 -1.00 0.00 0.00 55.73 55.67 2ett s ARG 51 Cb -0.13 -2.09 -0.14 0.00 0.00 0.00 0.00 34.95 32.59 2ett s ARG 51 CO -0.03 -0.50 1.53 -0.92 0.00 0.00 0.00 175.30 175.38 2ett h TYR 52 N 1.06 0.15 -0.30 5.12 5.03 -1.93 -0.64 116.97 125.45 2ett h TYR 52 Ca -0.48 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 60.79 2ett h TYR 52 Cb 1.21 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 39.43 2ett h TYR 52 CO 0.59 0.33 0.09 0.66 -1.32 0.00 0.00 178.16 178.52 2ett h SER 53 N -0.08 0.39 -0.04 -2.11 4.64 -1.93 0.17 113.55 114.58 2ett h SER 53 Ca 0.03 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2ett h SER 53 Cb 0.26 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2ett h SER 53 CO 0.00 0.38 0.02 -0.08 -0.87 0.00 0.00 176.83 176.28 2ett h GLU 54 N 0.43 0.07 -0.47 4.77 4.81 -1.85 0.03 114.58 122.37 2ett h GLU 54 Ca 0.11 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 2ett h GLU 54 Cb 0.14 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2ett h GLU 54 CO -0.01 0.22 0.07 0.35 -0.73 0.00 0.00 179.01 178.92 2ett h PHE 55 N -0.10 0.76 -0.32 0.92 3.57 -0.42 -1.15 116.94 120.19 2ett h PHE 55 Ca 0.01 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.39 2ett h PHE 55 Cb 0.18 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 2ett h PHE 55 CO -0.01 0.67 0.00 1.25 -2.23 0.00 0.00 178.31 177.99 2ett h HIS 56 N 0.70 0.61 -0.20 0.41 2.76 -0.37 -0.24 115.15 118.82 2ett h HIS 56 Ca 0.15 -0.10 -0.06 0.00 -2.20 0.00 0.00 60.37 58.16 2ett h HIS 56 Cb 0.33 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 2ett h HIS 56 CO 0.02 0.68 -0.12 0.00 -1.30 0.00 0.00 177.93 177.20 2ett h ALA 57 N 0.85 1.43 0.01 5.26 0.00 -0.88 0.81 119.26 126.74 2ett h ALA 57 Ca 0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2ett h ALA 57 Cb 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2ett h ALA 57 CO 0.02 0.40 -0.01 1.25 0.00 0.00 0.00 179.25 180.91 2ett h LEU 58 N 0.30 -0.02 -0.45 0.00 5.85 -0.58 -0.75 115.31 119.65 2ett h LEU 58 Ca 0.06 -0.05 -0.17 0.00 0.84 0.00 0.00 57.88 58.56 2ett h LEU 58 Cb 0.41 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 2ett h LEU 58 CO 0.02 0.04 -0.56 -0.74 -0.34 0.00 0.00 178.44 176.86 2ett h HIS 59 N -0.07 0.79 -0.87 1.25 2.76 -0.81 -0.51 115.15 117.69 2ett h HIS 59 Ca -0.00 -0.29 0.14 0.00 -2.20 0.00 0.00 60.37 58.03 2ett h HIS 59 Cb 0.06 -0.15 -0.07 0.00 1.55 0.00 0.00 27.41 28.81 2ett h HIS 59 CO -0.06 1.04 0.56 -0.22 -1.30 0.00 0.00 177.93 177.95 2ett h LYS 60 N 0.48 0.62 0.00 5.26 1.63 -0.72 -1.99 116.57 121.85 2ett h LYS 60 Ca 0.01 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2ett h LYS 60 Cb 1.13 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.61 2ett h LYS 60 CO 0.11 0.41 -0.07 -0.09 -3.45 0.00 0.00 179.45 176.36 2ett h ARG 61 N 0.64 0.00 0.00 1.90 2.43 -0.72 -3.39 114.38 115.24 2ett h ARG 61 Ca 0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 2ett h ARG 61 Cb 0.74 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2ett h ARG 61 CO -0.19 0.01 0.00 0.44 -1.51 0.00 0.00 179.97 178.72 2ett n ILE 62 N -4.75 0.82 0.22 1.20 -5.35 -0.24 -1.49 119.36 109.76 2ett n ILE 62 Ca -0.01 0.20 0.08 0.00 -0.27 0.00 0.00 62.75 62.75 2ett n ILE 62 Cb 0.04 -0.99 0.50 0.00 -1.74 0.00 0.00 39.64 37.46 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 0.00 0.00 6.28 2.10 -1.55 0.31 116.57 123.71 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 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 2ett h LYS 63 CO 0.00 0.26 -0.12 -0.22 -2.00 0.00 0.00 179.45 177.37 2ett h LYS 64 N 0.00 0.00 0.00 0.07 1.63 -1.51 -3.39 116.57 113.38 2ett h LYS 64 Ca -0.00 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.64 2ett h LYS 64 Cb 0.62 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.23 2ett h LYS 64 CO 0.03 0.00 -1.49 1.28 -3.45 0.00 0.00 179.45 175.82 2ett n LEU 65 N -2.94 1.94 0.00 5.20 7.99 -0.62 -5.11 117.00 123.46 2ett n LEU 65 Ca 0.04 0.34 -0.13 0.00 -0.01 0.00 0.00 56.01 56.25 2ett n LEU 65 Cb 0.52 -0.77 -0.05 0.00 -0.11 0.00 0.00 43.42 43.01 2ett n LEU 65 CO 0.34 0.01 -0.02 0.00 -1.51 0.00 0.00 177.39 176.21 2ett n TYR 66 N -4.40 -0.73 -2.15 -1.77 0.18 0.98 -5.10 117.16 104.17 2ett n TYR 66 Ca -0.27 -1.95 -0.43 0.00 1.88 0.00 0.00 57.90 57.13 2ett n TYR 66 Cb 0.63 0.26 -0.03 0.00 -0.38 0.00 0.00 39.34 39.83 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 -2.88 4.17 -0.23 -3.48 1.02 -1.26 -4.41 119.74 112.67 2ett s LYS 67 Ca 0.27 1.98 -0.19 0.00 0.02 0.00 0.00 55.97 58.05 2ett s LYS 67 Cb 0.01 -3.92 0.06 0.00 -0.52 0.00 0.00 37.83 33.47 2ett s LYS 67 CO 0.19 -0.83 0.61 0.14 -0.92 0.00 0.00 175.35 174.54 2ett s VAL 68 N 3.93 -0.00 0.00 3.17 -7.23 -1.26 -4.76 120.40 114.25 2ett s VAL 68 Ca 0.67 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.85 2ett s VAL 68 Cb -0.29 -0.85 0.00 0.00 0.56 0.00 0.00 36.38 35.80 2ett s VAL 68 CO 0.24 0.00 0.00 -2.65 -0.31 0.00 0.00 175.10 172.39 2ett n PRO 69 N 3.17 1.34 -0.46 4.82 -0.02 -1.26 -4.96 135.00 137.63 2ett n PRO 69 Ca -0.16 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.28 2ett n PRO 69 Cb 0.56 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 34.07 2ett n PRO 69 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2ett n ASP 70 N 0.00 0.07 -4.19 2.55 2.03 -1.26 -5.03 116.55 110.72 2ett n ASP 70 Ca 0.00 -1.10 -0.15 0.00 0.52 0.00 0.00 54.79 54.06 2ett n ASP 70 Cb 0.00 -0.15 -0.11 0.00 -0.72 0.00 0.00 41.12 40.14 2ett n ASP 70 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2ett s PHE 71 N -1.19 1.13 0.64 -0.67 -0.71 -1.26 -5.08 117.98 110.84 2ett s PHE 71 Ca 0.12 -0.65 -0.12 0.00 -1.04 0.00 0.00 56.93 55.24 2ett s PHE 71 Cb -0.00 -0.61 -0.02 0.00 -1.21 0.00 0.00 43.02 41.17 2ett s PHE 71 CO 0.08 0.03 1.04 -2.14 -1.34 0.00 0.00 175.22 172.89 2ett s PRO 72 N -2.83 3.31 0.66 1.99 0.02 -1.26 -5.02 135.00 131.86 2ett s PRO 72 Ca 0.07 0.91 -0.18 0.00 0.02 0.00 0.00 61.00 61.82 2ett s PRO 72 Cb -0.03 -2.04 -0.00 0.00 0.02 0.00 0.00 34.50 32.45 2ett s PRO 72 CO 0.01 -0.80 1.28 -1.54 -0.33 0.00 0.00 177.00 175.61 2ett s SER 73 N -3.73 4.57 0.45 2.53 1.04 -1.26 -4.90 113.70 112.40 2ett s SER 73 Ca 0.58 2.57 0.23 0.00 0.48 0.00 0.00 55.95 59.81 2ett s SER 73 Cb -0.13 -2.61 1.06 0.00 0.10 0.00 0.00 66.02 64.44 2ett s SER 73 CO 0.50 -2.02 1.91 0.07 0.98 0.00 0.00 173.24 174.67 2ett h LYS 74 N 0.44 0.00 -5.47 4.02 2.10 -1.99 -3.41 116.57 112.26 2ett h LYS 74 Ca -0.50 0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 57.49 2ett h LYS 74 Cb 1.33 0.00 -0.24 0.00 -0.90 0.00 0.00 32.23 32.42 2ett h LYS 74 CO 0.53 0.23 -0.73 0.50 -2.00 0.00 0.00 179.45 177.97 2ett s ARG 75 N -3.92 3.34 0.43 0.07 3.52 -1.26 -4.46 118.95 116.67 2ett s ARG 75 Ca -0.01 -0.62 0.03 0.00 -0.13 0.00 0.00 55.73 54.99 2ett s ARG 75 Cb 0.12 -2.69 -0.02 0.00 -1.56 0.00 0.00 34.95 30.80 2ett s ARG 75 CO 0.63 0.30 0.09 -0.51 -0.81 0.00 0.00 175.30 175.01 2ett s LEU 76 N 0.15 2.10 1.01 -0.88 2.01 -1.26 -5.15 118.68 116.66 2ett s LEU 76 Ca -0.05 -1.65 -0.11 0.00 0.01 0.00 0.00 54.13 52.33 2ett s LEU 76 Cb -0.15 -0.30 0.20 0.00 0.01 0.00 0.00 46.19 45.96 2ett s LEU 76 CO 0.04 -0.89 1.10 -2.84 1.01 0.00 0.00 176.35 174.77 2ett s PRO 77 N -3.76 0.24 0.00 1.29 0.02 -1.26 -4.87 135.00 126.66 2ett s PRO 77 Ca 0.20 1.30 0.05 0.00 0.02 0.00 0.00 61.00 62.56 2ett s PRO 77 Cb 0.03 -1.66 0.27 0.00 0.02 0.00 0.00 34.50 33.16 2ett s PRO 77 CO 0.12 -3.08 0.65 0.09 -0.33 0.00 0.00 177.00 174.44 2ett n ASN 78 N -4.52 0.00 0.00 2.53 3.02 -1.26 -4.85 115.26 110.18 2ett n ASN 78 Ca 0.09 -0.49 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 2ett n ASN 78 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 2ett n ASN 78 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2ett n TRP 79 N -0.72 0.00 -0.31 3.10 7.02 -1.26 -4.68 117.44 120.59 2ett n TRP 79 Ca 0.03 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.61 2ett n TRP 79 Cb 0.02 0.00 0.27 0.00 -2.42 0.00 0.00 31.31 29.17 2ett n TRP 79 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2ett h ARG 80 N 0.00 0.60 -0.36 -0.99 3.08 -1.92 0.14 114.38 114.93 2ett h ARG 80 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2ett h ARG 80 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2ett h ARG 80 CO 0.00 0.40 0.00 0.25 -1.07 0.00 0.00 179.97 179.55 2ett n THR 81 N -4.88 0.48 0.00 2.04 -2.24 -1.26 -4.55 114.28 103.87 2ett n THR 81 Ca 0.20 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2ett n THR 81 Cb 0.52 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 2ett n THR 81 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2ett n ARG 82 N 0.67 0.00 0.00 -0.78 3.00 0.34 -5.15 116.66 114.74 2ett n ARG 82 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.99 2ett n ARG 82 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.82 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 3.97 3.63 0.10 -0.13 0.00 -0.30 -4.99 105.19 107.47 2ett n GLY 83 Ca 0.00 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.53 2ett n GLY 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ett h LEU 84 N 0.00 0.00 -1.29 0.99 -0.00 -1.96 -3.32 115.31 109.73 2ett h LEU 84 Ca 0.00 -0.12 0.02 0.00 -0.00 0.00 0.00 57.88 57.78 2ett h LEU 84 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.62 2ett h LEU 84 CO 0.00 0.06 0.48 1.05 -0.00 0.00 0.00 178.44 180.03 2ett h GLU 85 N 0.00 0.93 -0.45 1.13 -0.00 -1.98 0.15 114.58 114.36 2ett h GLU 85 Ca 0.00 -0.06 0.06 0.00 -0.00 0.00 0.00 59.36 59.36 2ett h GLU 85 Cb 0.81 -0.21 -0.05 0.00 -0.00 0.00 0.00 28.75 29.30 2ett h GLU 85 CO 0.00 0.62 0.15 1.96 -0.00 0.00 0.00 179.01 181.74 2ett h GLN 86 N 0.96 0.31 0.22 1.06 1.08 -1.97 -2.56 115.11 114.22 2ett h GLN 86 Ca 0.28 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.45 2ett h GLN 86 Cb -0.06 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.30 2ett h GLN 86 CO -0.07 0.21 -0.11 -0.09 -0.95 0.00 0.00 178.83 177.82 2ett h ARG 87 N 0.32 -0.29 -0.70 1.46 2.43 -1.49 -2.40 114.38 113.72 2ett h ARG 87 Ca 0.21 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.45 2ett h ARG 87 Cb 0.21 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 2ett h ARG 87 CO -0.22 0.07 0.42 0.07 -1.51 0.00 0.00 179.97 178.79 2ett h ARG 88 N -0.93 0.76 -0.36 0.20 0.11 -0.81 -1.23 114.38 112.12 2ett h ARG 88 Ca -0.03 -0.05 -0.08 0.00 0.10 0.00 0.00 59.98 59.93 2ett h ARG 88 Cb 0.48 -0.17 -0.01 0.00 1.11 0.00 0.00 29.97 31.38 2ett h ARG 88 CO 0.05 0.50 -0.08 0.37 0.10 0.00 0.00 179.97 180.92 2ett h GLN 89 N 0.79 0.69 0.07 0.08 4.15 -1.57 -0.93 115.11 118.38 2ett h GLN 89 Ca 0.30 -0.26 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 2ett h GLN 89 Cb 0.12 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.77 2ett h GLN 89 CO -0.15 0.84 -0.03 0.78 -1.93 0.00 0.00 178.83 178.33 2ett h GLY 90 N 0.48 -0.10 2.00 2.39 0.00 -1.03 -1.11 103.07 105.70 2ett h GLY 90 Ca 0.09 0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.37 2ett h GLY 90 CO 0.03 -0.04 -0.44 1.41 0.00 0.00 0.00 176.54 177.50 2ett h LEU 91 N -0.27 0.00 -0.30 3.11 -0.00 -1.29 -2.42 115.31 114.14 2ett h LEU 91 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2ett h LEU 91 Cb 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.88 2ett h LEU 91 CO 0.02 0.44 0.18 -0.08 -0.00 0.00 0.00 178.44 179.00 2ett h GLU 92 N 0.00 0.41 -0.54 1.13 4.81 -0.97 0.10 114.58 119.52 2ett h GLU 92 Ca -0.00 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 2ett h GLU 92 Cb 0.79 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 2ett h GLU 92 CO 0.06 0.31 0.36 0.00 -0.73 0.00 0.00 179.01 179.01 2ett h ALA 93 N 1.07 1.75 -0.00 2.92 0.00 -0.73 0.30 119.26 124.57 2ett h ALA 93 Ca 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2ett h ALA 93 Cb 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2ett h ALA 93 CO -0.02 0.19 -0.01 1.88 0.00 0.00 0.00 179.25 181.29 2ett h TYR 94 N 0.61 0.01 -0.41 0.00 0.05 -1.06 -0.68 116.97 115.49 2ett h TYR 94 Ca 0.22 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.90 2ett h TYR 94 Cb 0.11 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 2ett h TYR 94 CO -0.00 0.71 -0.10 0.82 -1.05 0.00 0.00 178.16 178.54 2ett h ILE 95 N -0.69 1.27 -0.35 -2.88 2.04 -0.60 -1.02 117.51 115.29 2ett h ILE 95 Ca -0.00 -1.20 -0.14 0.00 1.00 0.00 0.00 64.86 64.52 2ett h ILE 95 Cb 0.72 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 2ett h ILE 95 CO 0.00 0.40 -0.35 -0.61 0.00 0.00 0.00 178.15 177.60 2ett h GLN 96 N 0.61 0.79 -0.41 2.37 4.15 -0.55 -2.67 115.11 119.41 2ett h GLN 96 Ca 0.10 -0.39 0.00 0.00 0.77 0.00 0.00 58.65 59.14 2ett h GLN 96 Cb 0.63 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.30 2ett h GLN 96 CO 0.04 1.02 0.26 0.78 -1.93 0.00 0.00 178.83 179.00 2ett h GLY 97 N 0.91 0.58 1.30 2.39 0.00 -0.77 0.22 103.07 107.71 2ett h GLY 97 Ca 0.07 -0.23 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 2ett h GLY 97 CO 0.08 0.22 -0.40 0.16 0.00 0.00 0.00 176.54 176.60 2ett h ILE 98 N 0.55 1.29 -0.48 2.60 3.07 -1.20 0.10 117.51 123.44 2ett h ILE 98 Ca 0.15 -1.58 -0.07 0.00 1.55 0.00 0.00 64.86 64.91 2ett h ILE 98 Cb -0.04 1.47 -0.02 0.00 -0.27 0.00 0.00 36.82 37.96 2ett h ILE 98 CO -0.03 0.51 0.02 0.25 -1.05 0.00 0.00 178.15 177.85 2ett h LEU 99 N 0.63 0.74 -0.07 0.16 6.46 -1.24 -2.21 115.31 119.78 2ett h LEU 99 Ca 0.05 -0.17 -0.07 0.00 -0.12 0.00 0.00 57.88 57.57 2ett h LEU 99 Cb 0.96 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.68 2ett h LEU 99 CO 0.09 0.80 -0.35 0.22 -0.62 0.00 0.00 178.44 178.58 2ett h TYR 100 N 0.73 0.00 0.86 1.25 3.20 -0.17 -2.16 116.97 120.67 2ett h TYR 100 Ca 0.15 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 2ett h TYR 100 Cb 0.42 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.70 2ett h TYR 100 CO 0.02 0.35 -0.41 -0.07 -1.64 0.00 0.00 178.16 176.41 2ett h LEU 101 N 0.00 -0.97 0.00 2.82 3.38 -0.17 -3.47 115.31 116.90 2ett h LEU 101 Ca -0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2ett h LEU 101 Cb 1.24 0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2ett h LEU 101 CO 0.05 -0.64 0.00 0.59 0.09 0.00 0.00 178.44 178.52 2ett n ASN 102 N -5.38 0.00 0.00 -0.43 4.13 -1.15 -4.99 115.26 107.44 2ett n ASN 102 Ca -0.14 0.00 0.14 0.00 1.68 0.00 0.00 54.58 56.26 2ett n ASN 102 Cb 0.45 0.00 0.78 0.00 -1.54 0.00 0.00 39.78 39.47 2ett n ASN 102 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ett n GLN 103 N -0.70 0.63 0.00 3.52 -0.00 -1.15 -5.00 117.38 114.69 2ett n GLN 103 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.00 57.01 2ett n GLN 103 Cb 0.00 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 28.74 2ett n GLN 103 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 2ett n GLU 104 N -1.15 0.00 -1.97 2.61 0.28 -0.81 -4.38 120.64 115.22 2ett n GLU 104 Ca 0.17 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.75 2ett n GLU 104 Cb 0.17 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.01 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 3.51 -0.33 3.84 0.11 -1.26 -4.18 120.40 122.09 2ett s VAL 105 Ca 0.00 0.62 -0.39 0.00 -2.93 0.00 0.00 61.98 59.28 2ett s VAL 105 Cb 0.00 -3.41 -0.14 0.00 -1.53 0.00 0.00 36.38 31.30 2ett s VAL 105 CO 0.00 -0.06 1.97 -2.65 -3.33 0.00 0.00 175.10 171.03 2ett n PRO 106 N 7.22 0.98 0.24 1.54 -0.02 -1.26 -4.84 135.00 138.86 2ett n PRO 106 Ca 0.18 0.32 0.08 0.00 -2.02 0.00 0.00 63.50 62.05 2ett n PRO 106 Cb 0.43 -2.17 0.59 0.00 -0.02 0.00 0.00 33.50 32.33 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 9.47 0.00 0.00 -0.52 3.11 -1.90 -2.20 116.57 124.53 2ett h LYS 107 Ca -0.34 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.45 2ett h LYS 107 Cb 1.33 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.55 2ett h LYS 107 CO 1.00 0.13 -0.24 1.49 -2.81 0.00 0.00 179.45 179.02 2ett h GLU 108 N 0.00 0.00 -0.13 1.90 4.81 -1.98 -1.17 114.58 118.00 2ett h GLU 108 Ca -0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 2ett h GLU 108 Cb 0.26 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2ett h GLU 108 CO 0.02 0.24 -0.36 -0.07 -0.73 0.00 0.00 179.01 178.11 2ett h LEU 109 N 0.00 0.27 -0.98 1.64 4.07 -1.78 0.24 115.31 118.77 2ett h LEU 109 Ca -0.00 -0.10 -0.10 0.00 0.08 0.00 0.00 57.88 57.76 2ett h LEU 109 Cb 0.50 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 2ett h LEU 109 CO 0.03 0.62 -0.29 -0.07 -1.08 0.00 0.00 178.44 177.64 2ett h LEU 110 N 0.23 0.39 -0.28 1.67 4.07 -1.31 -1.18 115.31 118.89 2ett h LEU 110 Ca 0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 2ett h LEU 110 Cb 0.74 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.38 2ett h LEU 110 CO 0.06 0.67 -0.03 -0.33 -1.08 0.00 0.00 178.44 177.72 2ett h GLU 111 N 0.33 0.00 0.00 1.13 4.39 -0.83 0.11 114.58 119.72 2ett h GLU 111 Ca 0.05 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 2ett h GLU 111 Cb 0.69 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2ett h GLU 111 CO 0.05 0.03 -0.38 0.35 -1.16 0.00 0.00 179.01 177.90 2ett h PHE 112 N 0.00 0.00 -0.28 4.33 3.04 0.56 -3.36 116.94 121.23 2ett h PHE 112 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2ett h PHE 112 Cb 0.93 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.44 2ett h PHE 112 CO 0.00 0.72 0.00 1.28 -2.02 0.00 0.00 178.31 178.29 2ett n LEU 113 N -4.61 2.89 -2.94 0.59 4.32 -0.55 -4.95 117.00 111.75 2ett n LEU 113 Ca -0.12 -1.52 -0.11 0.00 -0.02 0.00 0.00 56.01 54.23 2ett n LEU 113 Cb 0.38 -0.18 0.05 0.00 -1.62 0.00 0.00 43.42 42.05 2ett n LEU 113 CO 0.18 0.64 0.06 0.54 -1.22 0.00 0.00 177.39 177.59 2ett n ARG 114 N 0.96 -1.78 -0.17 3.23 1.74 -0.83 -4.92 116.66 114.90 2ett n ARG 114 Ca 0.14 0.80 0.08 0.00 -0.77 0.00 0.00 57.85 58.09 2ett n ARG 114 Cb 0.46 -5.10 0.23 0.00 -1.02 0.00 0.00 32.46 27.03 2ett n ARG 114 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2ett n LEU 115 N -2.79 2.08 -4.71 0.55 4.77 -0.03 -4.79 117.00 112.07 2ett n LEU 115 Ca -0.05 -0.99 -0.42 0.00 -0.03 0.00 0.00 56.01 54.52 2ett n LEU 115 Cb 0.59 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 2ett n LEU 115 CO 0.48 0.50 1.03 -0.60 -1.33 0.00 0.00 177.39 177.47 2ett s ARG 116 N -1.55 4.34 0.00 3.23 3.52 -1.24 -2.17 118.95 125.08 2ett s ARG 116 Ca 0.29 2.01 0.00 0.00 -0.13 0.00 0.00 55.73 57.90 2ett s ARG 116 Cb 0.15 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 2ett s ARG 116 CO 0.21 -0.41 0.00 1.58 -0.81 0.00 0.00 175.30 175.87 2ett n HIS 117 N 4.05 0.00 -3.03 5.12 -0.00 -1.26 -4.97 115.22 115.13 2ett n HIS 117 Ca 0.11 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.41 2ett n HIS 117 Cb 0.43 -0.65 -0.06 0.00 -0.00 0.00 0.00 29.99 29.72 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 -2.22 3.14 0.00 1.57 5.36 -0.92 -4.97 117.98 119.93 2ett s PHE 118 Ca 0.00 0.48 0.00 0.00 -0.96 0.00 0.00 56.93 56.45 2ett s PHE 118 Cb 0.00 -3.26 0.00 0.00 -0.34 0.00 0.00 43.02 39.42 2ett s PHE 118 CO 0.00 -0.67 0.00 -0.35 -1.46 0.00 0.00 175.22 172.74 2ett n PRO 119 N 6.23 0.00 -3.68 10.12 -0.05 -1.26 -4.99 135.00 141.37 2ett n PRO 119 Ca 0.01 0.11 -0.11 0.00 -0.05 0.00 0.00 63.50 63.46 2ett n PRO 119 Cb 0.48 -0.54 -0.09 0.00 -0.05 0.00 0.00 33.50 33.30 2ett n PRO 119 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 175.50 176.44 2ett s THR 120 N -0.26 -0.01 -0.05 0.52 2.01 -1.26 -4.16 115.64 112.43 2ett s THR 120 Ca 0.00 0.04 -0.12 0.00 0.31 0.00 0.00 61.69 61.92 2ett s THR 120 Cb 0.00 -0.77 -0.05 0.00 0.01 0.00 0.00 72.50 71.69 2ett s THR 120 CO 0.00 0.01 0.31 1.51 -0.69 0.00 0.00 174.62 175.77 2ett s ASP 121 N 1.07 6.65 -0.59 3.53 -4.77 -1.26 -4.96 116.67 116.34 2ett s ASP 121 Ca -0.06 0.78 -0.31 0.00 -3.30 0.00 0.00 52.55 49.65 2ett s ASP 121 Cb -0.06 -2.19 -0.17 0.00 -1.09 0.00 0.00 42.92 39.42 2ett s ASP 121 CO -0.10 0.35 1.97 -2.65 0.70 0.00 0.00 175.17 175.43 2ett n PRO 122 N 1.95 0.00 -3.06 2.11 -0.02 -1.26 -4.84 135.00 129.87 2ett n PRO 122 Ca -0.16 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 60.88 2ett n PRO 122 Cb 0.53 -1.23 -0.04 0.00 -0.02 0.00 0.00 33.50 32.74 2ett n PRO 122 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2ett s LYS 123 N 6.03 3.13 -0.47 -0.52 2.20 -1.26 -4.99 119.74 123.87 2ett s LYS 123 Ca 1.05 -1.34 -0.17 0.00 -0.36 0.00 0.00 55.97 55.14 2ett s LYS 123 Cb -1.15 -4.33 0.05 0.00 -1.51 0.00 0.00 37.83 30.90 2ett s LYS 123 CO 0.48 -1.60 0.49 0.00 -0.36 0.00 0.00 175.35 174.36 2ett s ALA 124 N 2.78 3.45 0.05 3.13 0.00 -1.26 -5.04 121.76 124.87 2ett s ALA 124 Ca 0.15 -1.78 0.08 0.00 0.00 0.00 0.00 51.96 50.41 2ett s ALA 124 Cb -0.21 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 2ett s ALA 124 CO 0.05 -1.77 -0.21 -1.12 0.00 0.00 0.00 175.76 172.70 2ett s SER 125 N 2.35 2.54 0.30 0.00 0.01 -1.26 -5.14 113.70 112.50 2ett s SER 125 Ca 0.10 -0.54 -0.09 0.00 1.31 0.00 0.00 55.95 56.74 2ett s SER 125 Cb -0.20 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.82 2ett s SER 125 CO 0.11 0.16 0.50 0.21 0.41 0.00 0.00 173.24 174.63 2ett s ASN 126 N -1.23 0.29 -0.19 2.44 3.84 -1.26 -5.06 114.94 113.78 2ett s ASN 126 Ca 0.08 -1.17 -0.03 0.00 0.21 0.00 0.00 52.86 51.95 2ett s ASN 126 Cb -0.09 0.64 0.01 0.00 -0.55 0.00 0.00 41.25 41.26 2ett s ASN 126 CO 0.02 -1.25 0.06 0.79 -2.79 0.00 0.00 177.10 173.93 2ett n TRP 127 N -0.46 -2.92 0.00 0.43 7.02 -1.26 -5.26 117.44 114.99 2ett n TRP 127 Ca -0.01 1.45 0.00 0.00 -1.02 0.00 0.00 57.50 57.91 2ett n TRP 127 Cb 0.62 -3.24 0.00 0.00 -2.42 0.00 0.00 31.31 26.27 2ett n TRP 127 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08