#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eeh s SER 2 N 0.00 5.43 0.08 1.61 0.01 -1.26 -5.03 113.70 114.54 2eeh s SER 2 Ca 0.00 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2eeh s SER 2 Cb 0.00 -1.41 0.00 0.00 0.21 0.00 0.00 66.02 64.82 2eeh s SER 2 CO 0.00 0.12 0.00 -1.20 0.41 0.00 0.00 173.24 172.57 2eeh n SER 3 N 0.07 0.89 0.00 2.44 7.64 -1.26 -5.16 113.62 118.23 2eeh n SER 3 Ca -0.09 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2eeh n SER 3 Cb 0.53 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2eeh n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eeh n GLY 4 N 3.37 0.49 2.04 0.23 0.00 -1.26 -5.01 105.19 105.05 2eeh n GLY 4 Ca 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.74 2eeh n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eeh n SER 5 N 0.03 -0.87 -1.49 1.61 7.64 -1.26 -5.17 113.62 114.11 2eeh n SER 5 Ca 0.00 0.45 0.11 0.00 1.01 0.00 0.00 58.87 60.44 2eeh n SER 5 Cb 0.00 0.98 -0.06 0.00 -1.01 0.00 0.00 64.21 64.12 2eeh n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2eeh n SER 6 N -3.23 -7.90 -3.38 6.43 2.88 -1.26 -4.94 113.62 102.22 2eeh n SER 6 Ca 0.00 1.59 -0.17 0.00 -1.33 0.00 0.00 58.87 58.95 2eeh n SER 6 Cb 0.00 -5.00 -0.09 0.00 -0.75 0.00 0.00 64.21 58.37 2eeh n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2eeh s GLY 7 N -6.60 -0.07 0.00 0.46 0.00 -1.26 -4.95 107.32 94.90 2eeh s GLY 7 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.05 2eeh s GLY 7 CO 0.00 2.69 0.00 1.44 0.00 0.00 0.00 173.10 177.23 2eeh n SER 8 N 4.75 0.00 -4.64 1.64 7.64 -1.26 -5.10 113.62 116.64 2eeh n SER 8 Ca 0.05 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.50 2eeh n SER 8 Cb 0.46 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.63 2eeh n SER 8 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2eeh s ASP 9 N 0.00 6.91 0.15 6.43 -4.77 -1.26 -4.77 116.67 119.36 2eeh s ASP 9 Ca 0.00 1.07 0.04 0.00 -3.30 0.00 0.00 52.55 50.36 2eeh s ASP 9 Cb 0.00 -2.50 -0.04 0.00 -1.09 0.00 0.00 42.92 39.29 2eeh s ASP 9 CO 0.00 -0.70 -0.08 -0.63 0.70 0.00 0.00 175.17 174.46 2eeh s ILE 10 N 3.24 1.04 0.01 2.11 1.01 -1.15 -5.03 121.20 122.42 2eeh s ILE 10 Ca 0.41 -2.03 -0.11 0.00 0.00 0.00 0.00 60.65 58.92 2eeh s ILE 10 Cb -0.14 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 2eeh s ILE 10 CO 0.10 -0.72 0.35 -0.63 0.00 0.00 0.00 174.94 174.04 2eeh s ILE 11 N -3.41 5.16 -0.22 2.92 -1.09 -1.26 -3.17 121.20 120.13 2eeh s ILE 11 Ca 0.17 0.52 -0.10 0.00 -2.23 0.00 0.00 60.65 59.01 2eeh s ILE 11 Cb 0.04 -3.62 -0.05 0.00 -1.58 0.00 0.00 42.46 37.25 2eeh s ILE 11 CO 0.00 0.46 0.13 -1.00 -1.23 0.00 0.00 174.94 173.30 2eeh s HIS 12 N -1.21 3.30 -0.17 3.97 3.76 -1.06 -4.98 115.29 118.89 2eeh s HIS 12 Ca 0.26 0.16 -0.15 0.00 -0.15 0.00 0.00 55.06 55.18 2eeh s HIS 12 Cb -0.15 -2.21 -0.04 0.00 1.11 0.00 0.00 32.58 31.29 2eeh s HIS 12 CO 0.14 0.08 0.37 -1.12 -0.85 0.00 0.00 174.74 173.36 2eeh s SER 13 N 0.86 6.48 0.01 1.40 0.01 -1.26 -3.62 113.70 117.58 2eeh s SER 13 Ca 0.07 0.57 -0.09 0.00 1.31 0.00 0.00 55.95 57.81 2eeh s SER 13 Cb -0.13 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.88 2eeh s SER 13 CO 0.03 0.01 0.17 0.54 0.41 0.00 0.00 173.24 174.39 2eeh s VAL 14 N 0.83 0.09 -0.20 3.43 0.11 -1.23 -4.96 120.40 118.46 2eeh s VAL 14 Ca 0.19 -0.71 -0.03 0.00 -2.93 0.00 0.00 61.98 58.51 2eeh s VAL 14 Cb -0.14 -0.54 0.06 0.00 -1.53 0.00 0.00 36.38 34.23 2eeh s VAL 14 CO 0.07 -0.39 0.04 -0.13 -3.33 0.00 0.00 175.10 171.36 2eeh s ARG 15 N -1.59 0.61 -0.04 1.54 0.52 -1.25 -3.15 118.95 115.60 2eeh s ARG 15 Ca -0.13 -0.43 -0.05 0.00 -0.52 0.00 0.00 55.73 54.60 2eeh s ARG 15 Cb -0.06 -2.08 -0.04 0.00 0.52 0.00 0.00 34.95 33.29 2eeh s ARG 15 CO 0.01 -0.66 0.19 0.08 0.02 0.00 0.00 175.30 174.94 2eeh s VAL 16 N 1.87 5.42 0.44 3.52 1.01 -1.12 -4.50 120.40 127.04 2eeh s VAL 16 Ca -0.00 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.04 2eeh s VAL 16 Cb -0.17 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.71 2eeh s VAL 16 CO -0.09 0.42 0.61 -0.70 0.00 0.00 0.00 175.10 175.34 2eeh s GLU 17 N -1.65 2.88 -0.07 2.72 2.12 -1.26 -1.72 118.70 121.72 2eeh s GLU 17 Ca 0.24 -0.93 -0.30 0.00 0.36 0.00 0.00 54.97 54.34 2eeh s GLU 17 Cb -0.13 -2.67 -0.02 0.00 0.26 0.00 0.00 34.13 31.57 2eeh s GLU 17 CO 0.14 -0.29 1.10 0.15 -0.54 0.00 0.00 175.26 175.82 2eeh s LYS 18 N -4.44 4.40 0.23 4.30 1.02 -1.26 -4.86 119.74 119.13 2eeh s LYS 18 Ca 0.52 1.54 -0.18 0.00 0.02 0.00 0.00 55.97 57.86 2eeh s LYS 18 Cb -0.10 -3.54 -0.08 0.00 -0.52 0.00 0.00 37.83 33.59 2eeh s LYS 18 CO 0.35 -0.36 0.71 -1.54 -0.92 0.00 0.00 175.35 173.58 2eeh s SER 19 N 1.27 6.98 0.03 2.83 1.04 -1.26 -5.00 113.70 119.58 2eeh s SER 19 Ca 0.52 1.35 -0.18 0.00 0.48 0.00 0.00 55.95 58.12 2eeh s SER 19 Cb -0.22 -2.40 -0.21 0.00 0.10 0.00 0.00 66.02 63.29 2eeh s SER 19 CO 0.21 -0.01 1.16 1.55 0.98 0.00 0.00 173.24 177.13 2eeh h PRO 20 N 3.21 0.49 -0.22 4.02 0.13 -1.95 -3.32 132.00 134.36 2eeh h PRO 20 Ca -0.48 -0.47 0.04 0.00 -0.87 0.00 0.00 66.00 64.21 2eeh h PRO 20 Cb 1.19 0.12 -0.07 0.00 0.13 0.00 0.00 31.00 32.37 2eeh h PRO 20 CO 0.65 1.11 -0.54 0.00 -0.23 0.00 0.00 178.00 178.99 2eeh h ALA 21 N 0.39 -0.84 0.00 -0.56 0.00 -2.03 -3.48 119.26 112.74 2eeh h ALA 21 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2eeh h ALA 21 Cb 1.30 1.03 0.00 0.00 0.00 0.00 0.00 17.79 20.12 2eeh h ALA 21 CO 0.12 -1.07 0.00 0.41 0.00 0.00 0.00 179.25 178.71 2eeh n GLY 22 N -1.42 -0.05 3.54 0.00 0.00 -1.25 -5.12 105.19 100.89 2eeh n GLY 22 Ca -0.05 0.07 -0.48 0.00 0.00 0.00 0.00 46.02 45.55 2eeh n GLY 22 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2eeh n ARG 23 N 0.00 0.86 -1.30 1.61 1.85 -1.26 -4.71 116.66 113.72 2eeh n ARG 23 Ca 0.00 0.31 -0.37 0.00 -1.00 0.00 0.00 57.85 56.78 2eeh n ARG 23 Cb 0.00 -1.66 0.05 0.00 -1.05 0.00 0.00 32.46 29.80 2eeh n ARG 23 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2eeh n LEU 24 N 1.75 -0.58 0.01 2.89 7.99 -1.26 -4.77 117.00 123.03 2eeh n LEU 24 Ca 0.15 0.61 0.04 0.00 -0.01 0.00 0.00 56.01 56.80 2eeh n LEU 24 Cb 0.25 -1.10 0.17 0.00 -0.11 0.00 0.00 43.42 42.64 2eeh n LEU 24 CO 0.60 -3.65 0.62 0.61 -1.51 0.00 0.00 177.39 174.06 2eeh n GLY 25 N 1.99 -0.74 3.33 -0.72 0.00 -1.26 -4.63 105.19 103.16 2eeh n GLY 25 Ca 0.09 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 2eeh n GLY 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2eeh s PHE 26 N -3.04 1.82 -0.28 1.61 -0.71 -1.26 -0.97 117.98 115.15 2eeh s PHE 26 Ca 0.03 -0.47 -0.09 0.00 -1.04 0.00 0.00 56.93 55.36 2eeh s PHE 26 Cb 0.04 -0.91 -0.02 0.00 -1.21 0.00 0.00 43.02 40.92 2eeh s PHE 26 CO 0.13 0.32 0.12 0.45 -1.34 0.00 0.00 175.22 174.90 2eeh s SER 27 N -2.62 5.40 -0.02 1.98 0.15 0.50 -4.93 113.70 114.15 2eeh s SER 27 Ca 0.15 -0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.50 2eeh s SER 27 Cb -0.06 -1.98 -0.03 0.00 -1.71 0.00 0.00 66.02 62.24 2eeh s SER 27 CO 0.06 -0.10 -0.01 0.68 1.20 0.00 0.00 173.24 175.08 2eeh s VAL 28 N 1.63 4.12 0.23 4.45 -7.23 -1.26 0.13 120.40 122.47 2eeh s VAL 28 Ca 0.06 -0.55 0.09 0.00 -1.81 0.00 0.00 61.98 59.77 2eeh s VAL 28 Cb -0.16 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 33.93 2eeh s VAL 28 CO 0.05 0.42 -0.06 0.00 -0.31 0.00 0.00 175.10 175.21 2eeh s ARG 29 N -1.41 2.14 0.00 4.82 1.70 0.43 -4.83 118.95 121.80 2eeh s ARG 29 Ca 0.18 -1.38 0.00 0.00 -0.47 0.00 0.00 55.73 54.06 2eeh s ARG 29 Cb -0.11 -2.12 0.00 0.00 -0.57 0.00 0.00 34.95 32.14 2eeh s ARG 29 CO 0.08 0.39 0.00 0.41 -1.08 0.00 0.00 175.30 175.11 2eeh n GLY 30 N -0.46 0.17 0.00 3.88 0.00 -1.26 -2.38 105.19 105.14 2eeh n GLY 30 Ca -0.08 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.64 2eeh n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eeh n GLY 31 N 0.00 0.18 2.48 -0.02 0.00 -1.26 -4.93 105.19 101.64 2eeh n GLY 31 Ca 0.00 0.53 -0.28 0.00 0.00 0.00 0.00 46.02 46.27 2eeh n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eeh s SER 32 N 2.00 2.54 -0.18 1.61 0.15 -1.26 -4.03 113.70 114.53 2eeh s SER 32 Ca 0.00 -2.63 -0.28 0.00 0.70 0.00 0.00 55.95 53.74 2eeh s SER 32 Cb 0.00 -0.53 0.10 0.00 -1.71 0.00 0.00 66.02 63.88 2eeh s SER 32 CO 0.00 -0.24 0.89 -0.70 1.20 0.00 0.00 173.24 174.39 2eeh s GLU 33 N 0.52 0.72 0.00 5.44 2.12 -1.26 -4.98 118.70 121.25 2eeh s GLU 33 Ca 0.24 0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.97 2eeh s GLU 33 Cb -0.12 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.61 2eeh s GLU 33 CO -0.08 -0.18 0.00 0.72 -0.54 0.00 0.00 175.26 175.19 2eeh n HIS 34 N 1.42 0.00 0.00 5.30 8.25 -1.26 -3.62 115.22 125.30 2eeh n HIS 34 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2eeh n HIS 34 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 2eeh n HIS 34 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2eeh n GLY 35 N 0.00 -0.03 3.12 -1.41 0.00 -1.26 -5.17 105.19 100.44 2eeh n GLY 35 Ca 0.00 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 2eeh n GLY 35 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2eeh s LEU 36 N 0.00 2.06 0.00 0.99 0.05 -1.24 -4.99 118.68 115.55 2eeh s LEU 36 Ca 0.00 -0.30 0.00 0.00 0.05 0.00 0.00 54.13 53.88 2eeh s LEU 36 Cb 0.00 -0.71 0.00 0.00 -2.05 0.00 0.00 46.19 43.43 2eeh s LEU 36 CO 0.00 0.15 0.00 0.61 -0.55 0.00 0.00 176.35 176.56 2eeh n GLY 37 N 2.56 -1.45 3.37 -3.48 0.00 -1.24 -4.73 105.19 100.21 2eeh n GLY 37 Ca -0.15 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 2eeh n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2eeh s ILE 38 N 0.00 3.00 -0.02 -0.61 -1.09 -1.23 -4.55 121.20 116.69 2eeh s ILE 38 Ca 0.00 -0.69 0.07 0.00 -2.23 0.00 0.00 60.65 57.81 2eeh s ILE 38 Cb 0.00 -2.25 -0.02 0.00 -1.58 0.00 0.00 42.46 38.61 2eeh s ILE 38 CO 0.00 0.53 -0.25 -0.36 -1.23 0.00 0.00 174.94 173.63 2eeh s PHE 39 N 0.28 2.38 0.28 3.97 0.40 -1.00 -1.05 117.98 123.24 2eeh s PHE 39 Ca -0.10 -0.41 -0.29 0.00 -0.60 0.00 0.00 56.93 55.53 2eeh s PHE 39 Cb -0.16 -1.52 -0.09 0.00 0.51 0.00 0.00 43.02 41.76 2eeh s PHE 39 CO 0.06 -0.02 1.03 0.08 0.70 0.00 0.00 175.22 177.07 2eeh s VAL 40 N -0.62 3.76 -0.01 -0.44 1.01 0.19 0.16 120.40 124.45 2eeh s VAL 40 Ca 0.10 1.70 -0.01 0.00 0.00 0.00 0.00 61.98 63.77 2eeh s VAL 40 Cb -0.10 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 2eeh s VAL 40 CO -0.01 0.35 -0.02 -0.24 0.00 0.00 0.00 175.10 175.19 2eeh n SER 41 N 1.11 0.40 -4.19 3.32 2.88 0.34 -4.16 113.62 113.31 2eeh n SER 41 Ca -0.01 0.02 -0.12 0.00 -1.33 0.00 0.00 58.87 57.43 2eeh n SER 41 Cb 0.46 -0.04 -0.10 0.00 -0.75 0.00 0.00 64.21 63.78 2eeh n SER 41 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2eeh s LYS 42 N -2.03 0.90 -0.18 -1.46 2.20 -0.59 -4.66 119.74 113.92 2eeh s LYS 42 Ca -0.02 -1.33 -0.04 0.00 -0.36 0.00 0.00 55.97 54.22 2eeh s LYS 42 Cb 0.01 -0.38 0.06 0.00 -1.51 0.00 0.00 37.83 36.00 2eeh s LYS 42 CO 0.03 0.03 0.07 0.08 -0.36 0.00 0.00 175.35 175.19 2eeh s VAL 43 N -3.29 0.16 0.18 4.02 1.01 -1.26 0.19 120.40 121.40 2eeh s VAL 43 Ca 0.12 -0.31 -0.33 0.00 0.00 0.00 0.00 61.98 61.45 2eeh s VAL 43 Cb 0.03 -0.75 -0.14 0.00 0.00 0.00 0.00 36.38 35.52 2eeh s VAL 43 CO -0.02 -0.25 1.48 1.21 0.00 0.00 0.00 175.10 177.52 2eeh n GLU 44 N 5.19 1.95 -1.20 2.72 2.13 -0.14 -4.89 120.64 126.40 2eeh n GLU 44 Ca -0.08 0.70 -0.30 0.00 0.66 0.00 0.00 57.16 58.15 2eeh n GLU 44 Cb 0.48 -2.41 0.14 0.00 0.27 0.00 0.00 31.44 29.92 2eeh n GLU 44 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2eeh s GLU 45 N 0.40 1.29 -0.07 5.31 -1.05 -1.26 -3.15 118.70 120.16 2eeh s GLU 45 Ca 0.76 0.84 0.00 0.00 -0.15 0.00 0.00 54.97 56.42 2eeh s GLU 45 Cb -0.71 -1.81 0.00 0.00 -0.44 0.00 0.00 34.13 31.17 2eeh s GLU 45 CO 0.43 -2.23 0.00 0.41 0.95 0.00 0.00 175.26 174.83 2eeh n GLY 46 N -1.11 -0.49 3.51 -3.83 0.00 -1.26 -4.86 105.19 97.14 2eeh n GLY 46 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 2eeh n GLY 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eeh n SER 47 N -1.49 2.11 0.06 1.61 3.41 -1.19 -5.03 113.62 113.11 2eeh n SER 47 Ca -0.01 -2.48 -0.11 0.00 -0.26 0.00 0.00 58.87 56.01 2eeh n SER 47 Cb 0.50 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 2eeh n SER 47 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2eeh h SER 48 N 0.23 0.46 0.34 4.04 0.02 -1.88 -2.91 113.55 113.85 2eeh h SER 48 Ca -0.27 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.34 2eeh h SER 48 Cb 1.13 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.54 2eeh h SER 48 CO 0.39 1.10 -0.16 0.00 -1.14 0.00 0.00 176.83 177.02 2eeh h ALA 49 N 0.88 -0.91 -1.34 3.77 0.00 -1.86 1.52 119.26 121.32 2eeh h ALA 49 Ca -0.05 -0.10 0.39 0.00 0.00 0.00 0.00 54.91 55.15 2eeh h ALA 49 Cb 1.42 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.33 2eeh h ALA 49 CO 0.14 -0.87 1.03 1.49 0.00 0.00 0.00 179.25 181.04 2eeh h GLU 50 N -0.54 0.00 0.09 0.00 4.81 -1.66 1.40 114.58 118.67 2eeh h GLU 50 Ca -0.05 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.87 2eeh h GLU 50 Cb 0.35 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 2eeh h GLU 50 CO 0.08 0.00 -1.66 0.00 -0.73 0.00 0.00 179.01 176.69 2eeh h ARG 51 N 0.00 0.20 0.00 1.92 3.08 -1.28 -3.29 114.38 115.01 2eeh h ARG 51 Ca 0.64 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 2eeh h ARG 51 Cb 2.70 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 32.87 2eeh h ARG 51 CO -0.01 1.01 -0.04 0.00 -1.07 0.00 0.00 179.97 179.86 2eeh h ALA 52 N 0.51 1.12 0.00 0.04 0.00 1.25 -3.45 119.26 118.72 2eeh h ALA 52 Ca -0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2eeh h ALA 52 Cb 2.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2eeh h ALA 52 CO 0.13 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.84 2eeh n GLY 53 N -0.66 1.20 3.71 0.00 0.00 0.32 -3.95 105.19 105.81 2eeh n GLY 53 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2eeh n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2eeh s LEU 54 N 0.00 4.36 0.00 0.99 2.96 -0.69 -4.95 118.68 121.34 2eeh s LEU 54 Ca 0.00 2.10 0.01 0.00 -0.22 0.00 0.00 54.13 56.02 2eeh s LEU 54 Cb 0.00 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 43.11 2eeh s LEU 54 CO 0.00 -0.55 0.04 0.00 -1.32 0.00 0.00 176.35 174.52 2eeh s VAL 56 N -1.96 4.51 0.00 0.00 1.01 -1.26 -4.14 120.40 118.56 2eeh s VAL 56 Ca 0.05 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.43 2eeh s VAL 56 Cb 0.00 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.46 2eeh s VAL 56 CO 0.04 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2eeh n GLY 57 N 0.87 1.04 3.26 4.51 0.00 -1.26 -5.04 105.19 108.58 2eeh n GLY 57 Ca -0.03 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 2eeh n GLY 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2eeh s ASP 58 N -2.52 2.51 -0.26 1.61 1.01 -1.26 -5.03 116.67 112.74 2eeh s ASP 58 Ca 0.00 -0.58 0.02 0.00 0.71 0.00 0.00 52.55 52.70 2eeh s ASP 58 Cb 0.00 -0.19 0.07 0.00 1.01 0.00 0.00 42.92 43.81 2eeh s ASP 58 CO 0.00 0.13 -0.07 -0.75 0.21 0.00 0.00 175.17 174.69 2eeh s LYS 59 N -1.42 1.92 -0.15 8.23 2.20 -1.26 0.57 119.74 129.82 2eeh s LYS 59 Ca 0.07 -1.28 -0.29 0.00 -0.36 0.00 0.00 55.97 54.11 2eeh s LYS 59 Cb -0.09 -2.80 -0.02 0.00 -1.51 0.00 0.00 37.83 33.40 2eeh s LYS 59 CO 0.03 -0.63 1.34 0.42 -0.36 0.00 0.00 175.35 176.15 2eeh s ILE 60 N 1.19 4.14 -0.15 5.43 1.01 -0.21 -3.40 121.20 129.21 2eeh s ILE 60 Ca -0.05 1.38 0.20 0.00 0.00 0.00 0.00 60.65 62.17 2eeh s ILE 60 Cb -0.19 -3.90 -0.29 0.00 0.01 0.00 0.00 42.46 38.09 2eeh s ILE 60 CO -0.06 -0.13 0.48 0.35 0.00 0.00 0.00 174.94 175.58 2eeh n THR 61 N 5.42 0.00 -3.46 2.92 -2.24 -0.30 -3.51 114.28 113.11 2eeh n THR 61 Ca 0.15 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 2eeh n THR 61 Cb 0.44 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.82 2eeh n THR 61 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2eeh s GLU 62 N -3.29 1.22 -0.22 -0.78 2.12 -1.14 -1.72 118.70 114.89 2eeh s GLU 62 Ca -0.05 -0.37 -0.18 0.00 0.36 0.00 0.00 54.97 54.73 2eeh s GLU 62 Cb 0.13 0.56 0.06 0.00 0.26 0.00 0.00 34.13 35.14 2eeh s GLU 62 CO 0.81 -0.50 0.57 0.54 -0.54 0.00 0.00 175.26 176.15 2eeh s VAL 63 N -3.29 -0.00 -1.06 3.70 0.11 0.53 -0.14 120.40 120.25 2eeh s VAL 63 Ca -0.01 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2eeh s VAL 63 Cb -0.01 -0.81 0.00 0.00 -1.53 0.00 0.00 36.38 34.03 2eeh s VAL 63 CO -0.09 0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 168.49 2eeh n ASN 64 N 3.17 -3.05 0.00 3.54 2.85 0.14 0.03 115.26 121.95 2eeh n ASN 64 Ca -0.16 0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 2eeh n ASN 64 Cb 0.56 -2.82 0.00 0.00 1.24 0.00 0.00 39.78 38.76 2eeh n ASN 64 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2eeh n GLY 65 N -0.39 2.77 3.69 8.20 0.00 -1.26 -4.95 105.19 113.25 2eeh n GLY 65 Ca -0.11 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 2eeh n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2eeh n LEU 66 N 0.00 4.10 -4.77 0.99 7.99 0.10 -4.95 117.00 120.47 2eeh n LEU 66 Ca 0.00 0.97 -0.39 0.00 -0.01 0.00 0.00 56.01 56.58 2eeh n LEU 66 Cb 0.00 -1.55 -0.06 0.00 -0.11 0.00 0.00 43.42 41.70 2eeh n LEU 66 CO 0.00 0.20 0.54 -0.94 -1.51 0.00 0.00 177.39 175.68 2eeh s SER 67 N 2.97 7.44 -0.32 -1.43 1.04 -1.26 -0.35 113.70 121.80 2eeh s SER 67 Ca 0.83 1.73 0.08 0.00 0.48 0.00 0.00 55.95 59.06 2eeh s SER 67 Cb -0.47 -2.53 0.49 0.00 0.10 0.00 0.00 66.02 63.61 2eeh s SER 67 CO 0.38 0.16 1.44 0.18 0.98 0.00 0.00 173.24 176.38 2eeh n LEU 68 N 1.43 4.48 -0.35 2.42 4.77 -0.70 -4.59 117.00 124.46 2eeh n LEU 68 Ca -0.04 -4.04 0.05 0.00 -0.03 0.00 0.00 56.01 51.96 2eeh n LEU 68 Cb 0.48 -0.60 0.20 0.00 -2.33 0.00 0.00 43.42 41.17 2eeh n LEU 68 CO 0.47 1.47 0.65 -0.62 -1.33 0.00 0.00 177.39 178.02 2eeh n GLU 69 N -1.03 1.45 -2.23 3.23 1.02 -1.25 -3.72 120.64 118.12 2eeh n GLU 69 Ca 0.37 -0.69 -0.02 0.00 -0.02 0.00 0.00 57.16 56.79 2eeh n GLU 69 Cb 0.96 -1.22 -0.01 0.00 -0.02 0.00 0.00 31.44 31.15 2eeh n GLU 69 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2eeh n SER 70 N 0.01 -0.68 -4.25 1.62 2.88 -1.26 -4.65 113.62 107.30 2eeh n SER 70 Ca 0.09 -1.37 -0.17 0.00 -1.33 0.00 0.00 58.87 56.09 2eeh n SER 70 Cb 0.18 0.62 -0.11 0.00 -0.75 0.00 0.00 64.21 64.16 2eeh n SER 70 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2eeh s THR 71 N 0.01 1.34 0.42 2.46 2.01 -1.26 -5.13 115.64 115.50 2eeh s THR 71 Ca 0.01 -1.81 -0.22 0.00 0.31 0.00 0.00 61.69 59.98 2eeh s THR 71 Cb 0.03 -1.62 -0.10 0.00 0.01 0.00 0.00 72.50 70.81 2eeh s THR 71 CO -0.01 -0.48 0.98 0.28 -0.69 0.00 0.00 174.62 174.70 2eeh s THR 72 N -2.39 4.13 0.17 -0.82 -1.32 -1.26 -4.85 115.64 109.31 2eeh s THR 72 Ca 0.11 1.45 -0.23 0.00 -1.21 0.00 0.00 61.69 61.81 2eeh s THR 72 Cb -0.03 -3.66 0.07 0.00 -1.51 0.00 0.00 72.50 67.37 2eeh s THR 72 CO 0.03 -0.17 1.59 -0.03 -2.21 0.00 0.00 174.62 173.83 2eeh h MET 73 N 2.16 -0.22 -0.03 7.08 4.05 -1.92 -2.54 114.93 123.50 2eeh h MET 73 Ca -0.49 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 2eeh h MET 73 Cb 1.20 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 32.04 2eeh h MET 73 CO 0.62 -0.15 -0.02 0.41 0.23 0.00 0.00 176.91 178.00 2eeh n GLY 74 N -1.42 -3.01 0.40 1.39 0.00 -1.26 -0.22 105.19 101.07 2eeh n GLY 74 Ca 0.02 0.59 -0.08 0.00 0.00 0.00 0.00 46.02 46.55 2eeh n GLY 74 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eeh n SER 75 N -3.05 -0.93 -0.28 1.61 7.64 -0.99 0.18 113.62 117.79 2eeh n SER 75 Ca 0.00 1.70 0.11 0.00 1.01 0.00 0.00 58.87 61.69 2eeh n SER 75 Cb 0.01 -0.26 0.26 0.00 -1.01 0.00 0.00 64.21 63.21 2eeh n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2eeh h ALA 76 N 0.68 1.21 0.10 -0.43 0.00 -0.68 0.10 119.26 120.24 2eeh h ALA 76 Ca 0.20 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2eeh h ALA 76 Cb 0.44 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2eeh h ALA 76 CO -0.92 -0.39 -0.05 0.28 0.00 0.00 0.00 179.25 178.17 2eeh h VAL 77 N 0.27 1.12 -1.08 0.00 2.07 0.51 0.38 116.25 119.52 2eeh h VAL 77 Ca 0.51 -0.88 0.31 0.00 0.82 0.00 0.00 66.70 67.46 2eeh h VAL 77 Cb 0.97 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 2eeh h VAL 77 CO -0.58 0.21 0.97 0.11 0.02 0.00 0.00 177.57 178.30 2eeh h LYS 78 N -0.54 0.00 0.04 1.57 1.57 0.41 1.41 116.57 121.03 2eeh h LYS 78 Ca -0.01 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.45 2eeh h LYS 78 Cb 0.45 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 2eeh h LYS 78 CO 0.02 0.00 -1.75 1.55 -0.57 0.00 0.00 179.45 178.70 2eeh n VAL 79 N -3.71 1.61 0.18 0.50 3.14 -0.03 -3.14 118.33 116.88 2eeh n VAL 79 Ca 0.24 -0.31 0.08 0.00 -2.96 0.00 0.00 64.34 61.39 2eeh n VAL 79 Cb 1.32 -1.88 0.42 0.00 -1.06 0.00 0.00 33.84 32.64 2eeh n VAL 79 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2eeh n LEU 80 N -4.02 0.42 -0.63 6.55 4.77 0.18 0.26 117.00 124.52 2eeh n LEU 80 Ca -0.36 0.67 0.06 0.00 -0.03 0.00 0.00 56.01 56.36 2eeh n LEU 80 Cb 0.85 -0.70 0.12 0.00 -2.33 0.00 0.00 43.42 41.36 2eeh n LEU 80 CO 0.25 -0.75 0.56 1.07 -1.33 0.00 0.00 177.39 177.19 2eeh n THR 81 N -2.04 0.53 -3.49 -5.08 5.66 0.43 -4.80 114.28 105.50 2eeh n THR 81 Ca -0.00 -0.77 -0.29 0.00 -3.05 0.00 0.00 64.05 59.94 2eeh n THR 81 Cb 0.07 0.86 -0.13 0.00 -1.55 0.00 0.00 70.33 69.58 2eeh n THR 81 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2eeh s SER 82 N -1.03 3.15 0.00 1.09 0.15 0.14 -5.02 113.70 112.17 2eeh s SER 82 Ca 0.21 -1.94 0.00 0.00 0.70 0.00 0.00 55.95 54.92 2eeh s SER 82 Cb 0.12 -0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 2eeh s SER 82 CO 0.17 -0.35 0.00 -1.20 1.20 0.00 0.00 173.24 173.07 2eeh n SER 83 N 4.37 0.00 -0.04 5.45 7.64 -1.25 -4.75 113.62 125.03 2eeh n SER 83 Ca 0.07 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.10 2eeh n SER 83 Cb 0.38 0.00 0.79 0.00 -1.01 0.00 0.00 64.21 64.37 2eeh n SER 83 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2eeh n SER 84 N 0.00 0.16 -3.15 6.43 7.64 -1.26 -4.18 113.62 119.26 2eeh n SER 84 Ca 0.00 -0.60 0.03 0.00 1.01 0.00 0.00 58.87 59.31 2eeh n SER 84 Cb 0.00 -0.13 -0.00 0.00 -1.01 0.00 0.00 64.21 63.07 2eeh n SER 84 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2eeh s ARG 85 N -2.32 0.57 0.28 1.43 1.70 -1.26 -4.49 118.95 114.86 2eeh s ARG 85 Ca 0.36 0.24 -0.19 0.00 -0.47 0.00 0.00 55.73 55.67 2eeh s ARG 85 Cb 0.21 0.17 -0.09 0.00 -0.57 0.00 0.00 34.95 34.67 2eeh s ARG 85 CO 0.42 -0.96 0.78 -0.51 -1.08 0.00 0.00 175.30 173.95 2eeh s LEU 86 N 2.52 4.23 -0.48 -1.89 1.43 -0.70 -4.93 118.68 118.85 2eeh s LEU 86 Ca 0.14 1.46 0.03 0.00 -1.03 0.00 0.00 54.13 54.73 2eeh s LEU 86 Cb -0.07 -3.87 0.14 0.00 0.03 0.00 0.00 46.19 42.42 2eeh s LEU 86 CO -0.20 -0.08 0.27 -2.28 0.23 0.00 0.00 176.35 174.29 2eeh s HIS 87 N -1.72 2.47 0.16 0.29 5.65 -1.26 -2.81 115.29 118.07 2eeh s HIS 87 Ca 0.49 -2.74 -0.12 0.00 0.25 0.00 0.00 55.06 52.94 2eeh s HIS 87 Cb -0.14 -2.23 -0.07 0.00 -1.18 0.00 0.00 32.58 28.95 2eeh s HIS 87 CO 0.20 -0.75 0.53 -1.64 -0.65 0.00 0.00 174.74 172.42 2eeh s MET 88 N 0.01 3.89 -0.15 2.88 -1.94 -1.19 0.28 119.30 123.07 2eeh s MET 88 Ca 0.18 0.37 -0.01 0.00 -1.71 0.00 0.00 55.69 54.52 2eeh s MET 88 Cb -0.23 -2.84 0.04 0.00 2.01 0.00 0.00 34.83 33.81 2eeh s MET 88 CO -0.01 0.44 -0.04 -1.64 -0.01 0.00 0.00 175.02 173.75 2eeh s MET 89 N -2.25 1.30 0.18 2.03 -1.94 0.80 -3.52 119.30 115.90 2eeh s MET 89 Ca 0.40 -0.40 0.04 0.00 -1.71 0.00 0.00 55.69 54.02 2eeh s MET 89 Cb -0.14 -1.85 -0.04 0.00 2.01 0.00 0.00 34.83 34.82 2eeh s MET 89 CO 0.20 -0.41 0.23 0.14 -0.01 0.00 0.00 175.02 175.17 2eeh s VAL 90 N 1.70 4.90 -0.33 -6.03 -7.23 -1.24 -1.15 120.40 111.03 2eeh s VAL 90 Ca 0.02 -0.97 -0.05 0.00 -1.81 0.00 0.00 61.98 59.17 2eeh s VAL 90 Cb -0.15 -3.56 0.04 0.00 0.56 0.00 0.00 36.38 33.28 2eeh s VAL 90 CO -0.08 -0.17 0.07 -0.13 -0.31 0.00 0.00 175.10 174.49 2eeh s ARG 91 N -3.38 2.60 -0.21 4.82 0.52 -1.22 -2.57 118.95 119.52 2eeh s ARG 91 Ca 0.33 -1.18 -0.03 0.00 -0.52 0.00 0.00 55.73 54.33 2eeh s ARG 91 Cb -0.10 -3.38 -0.01 0.00 0.52 0.00 0.00 34.95 31.98 2eeh s ARG 91 CO 0.26 -0.64 -0.06 0.50 0.02 0.00 0.00 175.30 175.38 2eeh s ARG 92 N 1.37 3.35 -0.01 3.54 3.52 -1.19 -4.80 118.95 124.73 2eeh s ARG 92 Ca -0.02 -0.64 0.04 0.00 -0.13 0.00 0.00 55.73 54.98 2eeh s ARG 92 Cb -0.19 -2.95 -0.06 0.00 -1.56 0.00 0.00 34.95 30.18 2eeh s ARG 92 CO 0.02 -0.17 0.09 0.00 -0.81 0.00 0.00 175.30 174.43 2eeh n MET 93 N 4.69 0.35 0.00 5.12 0.00 -1.26 -2.95 117.12 123.06 2eeh n MET 93 Ca -0.18 -0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.48 2eeh n MET 93 Cb 0.51 -1.10 0.00 0.00 0.00 0.00 0.00 33.22 32.63 2eeh n MET 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2eeh n GLY 94 N 2.30 0.28 1.67 3.17 0.00 -1.26 -4.74 105.19 106.61 2eeh n GLY 94 Ca -0.01 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.51 2eeh n GLY 94 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eeh n SER 95 N 0.00 -8.84 0.00 1.61 2.88 -1.26 -5.08 113.62 102.93 2eeh n SER 95 Ca 0.00 1.26 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 2eeh n SER 95 Cb 0.00 -4.78 0.00 0.00 -0.75 0.00 0.00 64.21 58.68 2eeh n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eeh n GLY 96 N -0.27 -0.77 3.81 0.46 0.00 -1.26 -5.14 105.19 102.03 2eeh n GLY 96 Ca 0.00 0.85 -0.30 0.00 0.00 0.00 0.00 46.02 46.57 2eeh n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eeh s PRO 97 N 0.00 2.22 -0.30 1.61 0.04 -1.26 -5.07 135.00 132.25 2eeh s PRO 97 Ca 0.00 0.69 -0.14 0.00 0.04 0.00 0.00 61.00 61.59 2eeh s PRO 97 Cb 0.00 -1.93 0.18 0.00 0.04 0.00 0.00 34.50 32.79 2eeh s PRO 97 CO 0.00 -1.54 1.12 -1.54 0.04 0.00 0.00 177.00 175.09 2eeh s SER 98 N -3.89 -0.27 0.00 6.66 1.04 -1.26 -4.95 113.70 111.03 2eeh s SER 98 Ca 0.60 0.09 0.27 0.00 0.48 0.00 0.00 55.95 57.40 2eeh s SER 98 Cb -0.14 1.19 1.56 0.00 0.10 0.00 0.00 66.02 68.73 2eeh s SER 98 CO 0.54 -0.05 2.01 -1.54 0.98 0.00 0.00 173.24 175.18 2eeh n SER 99 N 5.27 0.16 0.00 7.02 3.41 -1.26 -5.29 113.62 122.93 2eeh n SER 99 Ca 0.01 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 2eeh n SER 99 Cb 0.56 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 2eeh n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49