#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eeh n SER 2 N 0.00 -3.80 0.02 1.61 2.88 -1.26 -5.02 113.62 108.05 2eeh n SER 2 Ca 0.00 1.40 -0.02 0.00 -1.33 0.00 0.00 58.87 58.92 2eeh n SER 2 Cb 0.00 -4.35 -0.01 0.00 -0.75 0.00 0.00 64.21 59.11 2eeh n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2eeh n SER 3 N 1.92 1.18 -0.38 -3.46 2.88 -1.26 -5.15 113.62 109.36 2eeh n SER 3 Ca -0.22 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 2eeh n SER 3 Cb 0.34 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 2eeh n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eeh n GLY 4 N 3.07 -2.40 2.73 0.46 0.00 -1.26 -4.97 105.19 102.82 2eeh n GLY 4 Ca -0.03 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 2eeh n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eeh n SER 5 N 0.00 4.21 0.04 1.61 2.88 -1.26 -4.71 113.62 116.39 2eeh n SER 5 Ca 0.00 -3.35 0.00 0.00 -1.33 0.00 0.00 58.87 54.19 2eeh n SER 5 Cb 0.00 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 2eeh n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2eeh n SER 6 N 1.37 0.20 0.00 -3.46 7.64 -1.26 -5.15 113.62 112.97 2eeh n SER 6 Ca 0.26 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.28 2eeh n SER 6 Cb 0.38 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 2eeh n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eeh n GLY 7 N 2.36 3.50 3.04 0.23 0.00 -1.26 -5.17 105.19 107.89 2eeh n GLY 7 Ca 0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 2eeh n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eeh s SER 8 N 0.00 0.66 -0.17 1.61 1.04 -1.26 -5.09 113.70 110.49 2eeh s SER 8 Ca 0.00 -0.57 -0.29 0.00 0.48 0.00 0.00 55.95 55.57 2eeh s SER 8 Cb 0.00 0.06 -0.07 0.00 0.10 0.00 0.00 66.02 66.12 2eeh s SER 8 CO 0.00 -0.26 2.16 0.47 0.98 0.00 0.00 173.24 176.59 2eeh n ASP 9 N 1.39 3.35 -4.76 7.02 8.00 -1.26 -4.75 116.55 125.54 2eeh n ASP 9 Ca -0.22 0.39 -0.32 0.00 0.71 0.00 0.00 54.79 55.35 2eeh n ASP 9 Cb 0.55 -1.52 0.08 0.00 -0.02 0.00 0.00 41.12 40.22 2eeh n ASP 9 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2eeh s ILE 10 N 7.31 3.11 -0.03 0.53 1.09 -0.97 -4.52 121.20 127.73 2eeh s ILE 10 Ca 0.99 0.42 -0.11 0.00 -1.10 0.00 0.00 60.65 60.85 2eeh s ILE 10 Cb -0.42 -2.88 -0.05 0.00 -1.06 0.00 0.00 42.46 38.05 2eeh s ILE 10 CO 0.38 -0.41 0.31 -0.63 -0.10 0.00 0.00 174.94 174.49 2eeh s ILE 11 N -2.63 5.21 0.05 2.92 -1.09 -1.26 -1.59 121.20 122.80 2eeh s ILE 11 Ca 0.64 0.57 0.05 0.00 -2.23 0.00 0.00 60.65 59.69 2eeh s ILE 11 Cb -0.20 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 2eeh s ILE 11 CO 0.51 0.56 -0.09 -1.00 -1.23 0.00 0.00 174.94 173.69 2eeh s HIS 12 N -1.10 2.79 -0.13 3.97 3.76 -0.24 -4.95 115.29 119.39 2eeh s HIS 12 Ca 0.22 -0.12 -0.04 0.00 -0.15 0.00 0.00 55.06 54.97 2eeh s HIS 12 Cb -0.15 -1.52 -0.03 0.00 1.11 0.00 0.00 32.58 31.99 2eeh s HIS 12 CO 0.11 0.38 -0.01 -1.12 -0.85 0.00 0.00 174.74 173.25 2eeh s SER 13 N -1.78 5.10 0.00 1.40 0.01 -1.26 -3.26 113.70 113.91 2eeh s SER 13 Ca 0.19 0.01 -0.08 0.00 1.31 0.00 0.00 55.95 57.38 2eeh s SER 13 Cb -0.11 -1.69 0.00 0.00 0.21 0.00 0.00 66.02 64.43 2eeh s SER 13 CO 0.10 0.25 0.14 0.54 0.41 0.00 0.00 173.24 174.69 2eeh s VAL 14 N -0.10 0.08 -0.29 3.43 0.11 -1.16 -4.89 120.40 117.58 2eeh s VAL 14 Ca 0.04 -0.69 -0.01 0.00 -2.93 0.00 0.00 61.98 58.39 2eeh s VAL 14 Cb -0.13 -0.44 0.09 0.00 -1.53 0.00 0.00 36.38 34.37 2eeh s VAL 14 CO 0.02 -0.38 0.07 -0.13 -3.33 0.00 0.00 175.10 171.36 2eeh s ARG 15 N -1.40 0.80 -0.11 1.54 0.52 -1.22 -3.24 118.95 115.85 2eeh s ARG 15 Ca -0.15 -0.99 -0.09 0.00 -0.52 0.00 0.00 55.73 53.98 2eeh s ARG 15 Cb -0.08 -2.10 -0.04 0.00 0.52 0.00 0.00 34.95 33.25 2eeh s ARG 15 CO 0.02 -0.90 0.19 0.08 0.02 0.00 0.00 175.30 174.70 2eeh s VAL 16 N 1.61 5.42 0.16 3.52 1.01 -0.99 -4.36 120.40 126.77 2eeh s VAL 16 Ca 0.07 0.32 0.09 0.00 0.00 0.00 0.00 61.98 62.46 2eeh s VAL 16 Cb -0.17 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 2eeh s VAL 16 CO -0.20 0.59 -0.11 -1.83 0.00 0.00 0.00 175.10 173.55 2eeh s GLU 17 N -0.87 2.03 0.57 2.72 -1.05 -1.26 0.53 118.70 121.36 2eeh s GLU 17 Ca 0.16 -1.23 -0.16 0.00 -0.15 0.00 0.00 54.97 53.59 2eeh s GLU 17 Cb -0.13 -2.17 -0.05 0.00 -0.44 0.00 0.00 34.13 31.34 2eeh s GLU 17 CO 0.05 0.45 1.03 -1.59 0.95 0.00 0.00 175.26 176.15 2eeh s LYS 18 N -2.67 3.55 0.00 -4.83 -2.85 -1.08 -4.83 119.74 107.04 2eeh s LYS 18 Ca 0.24 1.10 -0.11 0.00 -1.00 0.00 0.00 55.97 56.20 2eeh s LYS 18 Cb -0.09 -2.07 0.01 0.00 -2.06 0.00 0.00 37.83 33.62 2eeh s LYS 18 CO 0.14 -0.61 0.23 -1.12 0.10 0.00 0.00 175.35 174.09 2eeh s SER 19 N -2.93 -0.07 -1.22 0.03 0.01 -1.26 -4.98 113.70 103.29 2eeh s SER 19 Ca 0.62 -0.11 -0.08 0.00 1.31 0.00 0.00 55.95 57.69 2eeh s SER 19 Cb -0.14 0.27 -0.07 0.00 0.21 0.00 0.00 66.02 66.29 2eeh s SER 19 CO 0.35 -0.44 2.46 -0.81 0.41 0.00 0.00 173.24 175.21 2eeh n PRO 20 N 1.23 2.75 0.04 12.44 -0.04 -1.26 -3.82 135.00 146.34 2eeh n PRO 20 Ca -0.22 -1.80 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 2eeh n PRO 20 Cb 0.56 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 2eeh n PRO 20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2eeh n ALA 21 N 4.11 3.00 0.00 0.55 0.00 -1.26 -5.12 120.51 121.79 2eeh n ALA 21 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2eeh n ALA 21 Cb 0.19 0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2eeh n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2eeh n GLY 22 N 3.19 1.13 3.76 0.00 0.00 -1.25 -5.10 105.19 106.92 2eeh n GLY 22 Ca 0.00 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 2eeh n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2eeh s ARG 23 N 0.00 4.51 0.82 1.61 0.52 -1.26 -4.98 118.95 120.17 2eeh s ARG 23 Ca 0.00 1.70 -0.16 0.00 -0.52 0.00 0.00 55.73 56.75 2eeh s ARG 23 Cb 0.00 -3.00 -0.08 0.00 0.52 0.00 0.00 34.95 32.39 2eeh s ARG 23 CO 0.00 0.13 -0.05 1.28 0.02 0.00 0.00 175.30 176.68 2eeh n LEU 24 N 0.83 -2.42 0.07 2.53 7.99 -1.26 -4.75 117.00 119.99 2eeh n LEU 24 Ca 0.01 0.42 0.06 0.00 -0.01 0.00 0.00 56.01 56.48 2eeh n LEU 24 Cb 0.46 -1.00 0.28 0.00 -0.11 0.00 0.00 43.42 43.05 2eeh n LEU 24 CO 0.51 -4.47 0.67 0.61 -1.51 0.00 0.00 177.39 173.20 2eeh n GLY 25 N 2.37 -0.75 3.32 -0.72 0.00 -1.26 -4.62 105.19 103.54 2eeh n GLY 25 Ca 0.05 0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.21 1.63 -0.20 1.61 -0.71 -1.26 -0.76 117.98 115.08 2eeh s PHE 26 Ca 0.00 -0.59 -0.05 0.00 -1.04 0.00 0.00 56.93 55.25 2eeh s PHE 26 Cb 0.04 -0.77 -0.02 0.00 -1.21 0.00 0.00 43.02 41.05 2eeh s PHE 26 CO 0.13 0.31 0.01 0.45 -1.34 0.00 0.00 175.22 174.78 2eeh s SER 27 N -3.21 4.88 0.04 1.98 0.15 0.14 -4.86 113.70 112.81 2eeh s SER 27 Ca 0.20 -0.19 0.03 0.00 0.70 0.00 0.00 55.95 56.69 2eeh s SER 27 Cb -0.01 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.43 2eeh s SER 27 CO 0.06 0.06 0.01 0.68 1.20 0.00 0.00 173.24 175.25 2eeh s VAL 28 N 1.04 4.17 0.30 4.45 -7.23 -1.26 -0.59 120.40 121.28 2eeh s VAL 28 Ca 0.02 -0.74 0.09 0.00 -1.81 0.00 0.00 61.98 59.54 2eeh s VAL 28 Cb -0.14 -2.92 -0.05 0.00 0.56 0.00 0.00 36.38 33.83 2eeh s VAL 28 CO 0.02 0.26 0.00 0.00 -0.31 0.00 0.00 175.10 175.07 2eeh s ARG 29 N -1.91 2.20 0.16 4.82 1.70 0.00 -4.81 118.95 121.12 2eeh s ARG 29 Ca 0.23 -1.55 -0.28 0.00 -0.47 0.00 0.00 55.73 53.66 2eeh s ARG 29 Cb -0.12 -2.07 -0.16 0.00 -0.57 0.00 0.00 34.95 32.03 2eeh s ARG 29 CO 0.14 0.27 0.55 0.41 -1.08 0.00 0.00 175.30 175.59 2eeh n GLY 30 N -0.92 -1.48 2.68 3.88 0.00 -1.26 -3.82 105.19 104.27 2eeh n GLY 30 Ca -0.05 0.37 -0.05 0.00 0.00 0.00 0.00 46.02 46.28 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 1.82 -1.37 0.00 -0.02 0.00 -1.26 -4.64 105.19 99.73 2eeh n GLY 31 Ca 0.17 0.82 0.00 0.00 0.00 0.00 0.00 46.02 47.01 2eeh n GLY 31 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eeh n SER 32 N 1.50 0.00 0.00 1.61 3.41 -1.26 -3.46 113.62 115.42 2eeh n SER 32 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2eeh n SER 32 Cb 0.69 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 2eeh n SER 32 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2eeh n GLU 33 N 0.00 0.00 0.30 4.33 4.07 -1.26 -4.98 120.64 123.09 2eeh n GLU 33 Ca 0.00 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.94 2eeh n GLU 33 Cb 0.00 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.30 2eeh n GLU 33 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2eeh h HIS 34 N 0.00 -0.70 0.00 4.31 2.76 -2.02 -3.46 115.15 116.04 2eeh h HIS 34 Ca 0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2eeh h HIS 34 Cb 0.00 0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.19 2eeh h HIS 34 CO 0.00 -0.38 0.00 0.41 -1.30 0.00 0.00 177.93 176.66 2eeh n GLY 35 N -0.96 -1.77 3.61 5.26 0.00 -1.26 -5.18 105.19 104.88 2eeh n GLY 35 Ca -0.12 0.67 -0.13 0.00 0.00 0.00 0.00 46.02 46.45 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 0.67 0.00 0.99 0.05 -1.26 -5.08 118.68 114.05 2eeh s LEU 36 Ca 0.00 -1.39 0.00 0.00 0.05 0.00 0.00 54.13 52.79 2eeh s LEU 36 Cb 0.00 1.99 0.00 0.00 -2.05 0.00 0.00 46.19 46.13 2eeh s LEU 36 CO 0.00 -1.47 0.00 0.61 -0.55 0.00 0.00 176.35 174.94 2eeh n GLY 37 N -0.57 3.35 3.84 -3.48 0.00 -1.26 -3.96 105.19 103.12 2eeh n GLY 37 Ca -0.03 -2.00 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 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 1.96 4.49 0.04 -0.61 -1.09 -1.10 -4.14 121.20 120.75 2eeh s ILE 38 Ca 0.00 1.19 0.02 0.00 -2.23 0.00 0.00 60.65 59.63 2eeh s ILE 38 Cb 0.00 -3.70 -0.02 0.00 -1.58 0.00 0.00 42.46 37.16 2eeh s ILE 38 CO 0.00 -0.68 -0.07 -0.36 -1.23 0.00 0.00 174.94 172.59 2eeh s PHE 39 N -2.62 0.65 -0.18 3.97 0.40 -1.25 -1.62 117.98 117.33 2eeh s PHE 39 Ca 0.59 -0.52 -0.09 0.00 -0.60 0.00 0.00 56.93 56.32 2eeh s PHE 39 Cb -0.10 -0.39 -0.05 0.00 0.51 0.00 0.00 43.02 42.99 2eeh s PHE 39 CO 0.32 -0.09 0.11 0.08 0.70 0.00 0.00 175.22 176.33 2eeh s VAL 40 N -1.47 5.21 -0.15 -0.44 1.01 1.00 -0.82 120.40 124.74 2eeh s VAL 40 Ca -0.10 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 2eeh s VAL 40 Cb -0.09 -3.35 -0.07 0.00 0.00 0.00 0.00 36.38 32.87 2eeh s VAL 40 CO 0.00 0.47 -0.22 -0.24 0.00 0.00 0.00 175.10 175.11 2eeh n SER 41 N 3.30 1.33 -4.45 3.32 2.88 0.24 -3.52 113.62 116.72 2eeh n SER 41 Ca -0.17 0.23 -0.22 0.00 -1.33 0.00 0.00 58.87 57.38 2eeh n SER 41 Cb 0.52 -0.53 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 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 -2.39 1.63 -0.20 -1.46 2.36 -0.94 -4.58 119.74 114.16 2eeh s LYS 42 Ca -0.23 -1.87 -0.04 0.00 -2.55 0.00 0.00 55.97 51.28 2eeh s LYS 42 Cb 0.08 -1.07 0.09 0.00 -1.05 0.00 0.00 37.83 35.88 2eeh s LYS 42 CO 0.30 -0.07 0.21 0.08 1.55 0.00 0.00 175.35 177.41 2eeh s VAL 43 N -3.11 -0.30 0.07 4.02 1.01 -1.26 0.25 120.40 121.08 2eeh s VAL 43 Ca 0.33 -0.15 -0.36 0.00 0.00 0.00 0.00 61.98 61.80 2eeh s VAL 43 Cb 0.07 -0.68 -0.16 0.00 0.00 0.00 0.00 36.38 35.61 2eeh s VAL 43 CO 0.14 -0.24 1.47 1.21 0.00 0.00 0.00 175.10 177.68 2eeh n GLU 44 N 5.31 1.50 -1.32 2.72 0.00 0.06 -4.88 120.64 124.04 2eeh n GLU 44 Ca -0.06 0.54 -0.30 0.00 0.00 0.00 0.00 57.16 57.35 2eeh n GLU 44 Cb 0.49 -2.24 0.11 0.00 0.00 0.00 0.00 31.44 29.81 2eeh n GLU 44 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2eeh s GLU 45 N 1.03 1.78 -0.43 5.31 -1.05 -1.26 -3.20 118.70 120.87 2eeh s GLU 45 Ca 0.84 0.87 0.00 0.00 -0.15 0.00 0.00 54.97 56.53 2eeh s GLU 45 Cb -0.87 -1.86 0.00 0.00 -0.44 0.00 0.00 34.13 30.96 2eeh s GLU 45 CO 0.46 -1.89 0.00 0.41 0.95 0.00 0.00 175.26 175.18 2eeh n GLY 46 N -1.41 -0.27 3.97 -3.83 0.00 -1.26 -4.88 105.19 97.50 2eeh n GLY 46 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.11 2.37 0.16 1.61 3.41 -1.20 -5.02 113.62 113.84 2eeh n SER 47 Ca -0.05 -2.69 0.04 0.00 -0.26 0.00 0.00 58.87 55.90 2eeh n SER 47 Cb 0.45 -0.31 0.13 0.00 -0.26 0.00 0.00 64.21 64.22 2eeh n SER 47 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2eeh h SER 48 N 0.29 0.00 0.08 4.04 4.64 -1.86 -3.11 113.55 117.62 2eeh h SER 48 Ca -0.30 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2eeh h SER 48 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2eeh h SER 48 CO 0.45 0.44 -0.04 0.00 -0.87 0.00 0.00 176.83 176.82 2eeh h ALA 49 N 1.56 -0.60 -1.13 5.18 0.00 -1.86 1.40 119.26 123.81 2eeh h ALA 49 Ca -0.00 -0.02 0.33 0.00 0.00 0.00 0.00 54.91 55.21 2eeh h ALA 49 Cb 1.23 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 2eeh h ALA 49 CO 0.06 -0.59 1.00 1.49 0.00 0.00 0.00 179.25 181.20 2eeh h GLU 50 N -0.16 0.00 0.09 0.00 4.81 -1.67 1.49 114.58 119.14 2eeh h GLU 50 Ca -0.01 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.89 2eeh h GLU 50 Cb 0.08 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2eeh h GLU 50 CO 0.02 0.00 -1.77 0.00 -0.73 0.00 0.00 179.01 176.53 2eeh h ARG 51 N 0.00 0.18 0.00 1.92 3.08 -1.46 -3.31 114.38 114.79 2eeh h ARG 51 Ca 0.53 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2eeh h ARG 51 Cb 2.52 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 32.69 2eeh h ARG 51 CO -0.01 0.97 -0.03 0.00 -1.07 0.00 0.00 179.97 179.83 2eeh h ALA 52 N 0.48 1.11 0.00 0.04 0.00 1.27 -3.45 119.26 118.71 2eeh h ALA 52 Ca -0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2eeh h ALA 52 Cb 2.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.81 2eeh h ALA 52 CO 0.11 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.81 2eeh n GLY 53 N -0.68 1.47 3.71 0.00 0.00 0.25 -3.38 105.19 106.56 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 4.37 0.00 0.99 2.96 -0.74 -4.95 118.68 121.31 2eeh s LEU 54 Ca 0.00 2.15 0.02 0.00 -0.22 0.00 0.00 54.13 56.08 2eeh s LEU 54 Cb 0.00 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 2eeh s LEU 54 CO 0.00 -0.55 0.06 0.00 -1.32 0.00 0.00 176.35 174.54 2eeh s VAL 56 N -2.22 4.32 0.00 0.00 1.01 -1.26 -4.03 120.40 118.20 2eeh s VAL 56 Ca 0.09 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.78 2eeh s VAL 56 Cb 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.31 2eeh s VAL 56 CO 0.06 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.12 2eeh n GLY 57 N 1.12 1.01 3.41 4.51 0.00 -1.23 -5.07 105.19 108.93 2eeh n GLY 57 Ca -0.02 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.57 3.30 -0.24 1.61 1.01 -1.25 -5.01 116.67 113.51 2eeh s ASP 58 Ca 0.00 -0.85 -0.00 0.00 0.71 0.00 0.00 52.55 52.40 2eeh s ASP 58 Cb 0.00 -0.24 0.07 0.00 1.01 0.00 0.00 42.92 43.76 2eeh s ASP 58 CO 0.00 0.10 0.00 -0.75 0.21 0.00 0.00 175.17 174.74 2eeh s LYS 59 N -2.63 1.19 -0.23 8.23 2.20 -1.26 -0.00 119.74 127.24 2eeh s LYS 59 Ca 0.19 -0.91 -0.29 0.00 -0.36 0.00 0.00 55.97 54.61 2eeh s LYS 59 Cb -0.08 -2.40 -0.01 0.00 -1.51 0.00 0.00 37.83 33.83 2eeh s LYS 59 CO 0.09 -0.70 1.42 0.42 -0.36 0.00 0.00 175.35 176.22 2eeh s ILE 60 N 1.53 3.98 -0.20 5.43 1.01 -0.64 -3.11 121.20 129.20 2eeh s ILE 60 Ca -0.01 1.13 0.16 0.00 0.00 0.00 0.00 60.65 61.93 2eeh s ILE 60 Cb -0.18 -3.93 -0.23 0.00 0.01 0.00 0.00 42.46 38.12 2eeh s ILE 60 CO -0.10 -0.32 0.03 0.35 0.00 0.00 0.00 174.94 174.90 2eeh n THR 61 N 6.06 1.36 -3.92 2.92 -2.24 -0.57 -2.70 114.28 115.20 2eeh n THR 61 Ca 0.16 -0.80 -0.10 0.00 -2.27 0.00 0.00 64.05 61.04 2eeh n THR 61 Cb 0.46 -0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 68.00 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 -2.48 0.55 -0.19 -0.78 2.12 -1.14 -0.26 118.70 116.53 2eeh s GLU 62 Ca -0.13 -0.67 -0.08 0.00 0.36 0.00 0.00 54.97 54.46 2eeh s GLU 62 Cb 0.06 0.22 0.08 0.00 0.26 0.00 0.00 34.13 34.75 2eeh s GLU 62 CO 0.78 -0.14 0.41 0.08 -0.54 0.00 0.00 175.26 175.85 2eeh s VAL 63 N -2.28 -0.42 -1.63 3.70 1.01 0.81 -0.84 120.40 120.75 2eeh s VAL 63 Ca -0.08 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2eeh s VAL 63 Cb -0.03 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.71 2eeh s VAL 63 CO -0.03 0.06 0.00 -3.20 0.00 0.00 0.00 175.10 171.93 2eeh n ASN 64 N 4.99 -5.02 0.00 3.32 2.85 0.63 -1.53 115.26 120.49 2eeh n ASN 64 Ca -0.14 0.38 0.00 0.00 -0.11 0.00 0.00 54.58 54.71 2eeh n ASN 64 Cb 0.51 -3.88 0.00 0.00 1.24 0.00 0.00 39.78 37.66 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 -0.86 2.99 3.72 8.20 0.00 -1.26 -4.98 105.19 113.00 2eeh n GLY 65 Ca -0.15 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 2eeh n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2eeh s LEU 66 N 0.00 4.37 -0.01 0.99 1.43 -0.58 -4.97 118.68 119.90 2eeh s LEU 66 Ca 0.00 2.47 -0.25 0.00 -1.03 0.00 0.00 54.13 55.32 2eeh s LEU 66 Cb 0.00 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 2eeh s LEU 66 CO 0.00 -0.72 0.78 -0.44 0.23 0.00 0.00 176.35 176.20 2eeh s SER 67 N 1.01 7.14 -0.48 2.29 0.01 -1.26 -0.14 113.70 122.27 2eeh s SER 67 Ca 0.66 1.37 0.04 0.00 1.31 0.00 0.00 55.95 59.33 2eeh s SER 67 Cb -0.40 -2.46 0.43 0.00 0.21 0.00 0.00 66.02 63.80 2eeh s SER 67 CO 0.32 -0.10 1.41 0.18 0.41 0.00 0.00 173.24 175.46 2eeh n LEU 68 N 3.45 5.64 -0.11 2.44 4.77 0.65 -4.67 117.00 129.16 2eeh n LEU 68 Ca -0.00 -4.87 0.14 0.00 -0.03 0.00 0.00 56.01 51.25 2eeh n LEU 68 Cb 0.51 -0.58 0.76 0.00 -2.33 0.00 0.00 43.42 41.77 2eeh n LEU 68 CO 0.48 2.01 0.99 -0.62 -1.33 0.00 0.00 177.39 178.93 2eeh n GLU 69 N -0.63 1.15 -2.65 3.23 1.02 -1.24 -3.51 120.64 118.01 2eeh n GLU 69 Ca 0.46 -0.22 -0.04 0.00 -0.02 0.00 0.00 57.16 57.34 2eeh n GLU 69 Cb 0.70 -1.44 0.09 0.00 -0.02 0.00 0.00 31.44 30.77 2eeh n GLU 69 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2eeh n SER 70 N -0.68 -1.08 -3.98 1.62 3.41 -1.25 -4.10 113.62 107.55 2eeh n SER 70 Ca 0.20 -1.59 -0.09 0.00 -0.26 0.00 0.00 58.87 57.14 2eeh n SER 70 Cb 0.15 0.69 -0.10 0.00 -0.26 0.00 0.00 64.21 64.69 2eeh n SER 70 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2eeh s THR 71 N 0.03 0.14 0.38 6.66 -1.32 -1.26 -5.12 115.64 115.15 2eeh s THR 71 Ca 0.24 -1.15 -0.28 0.00 -1.21 0.00 0.00 61.69 59.29 2eeh s THR 71 Cb 0.23 -0.73 -0.11 0.00 -1.51 0.00 0.00 72.50 70.37 2eeh s THR 71 CO -0.10 -0.63 1.50 1.07 -2.21 0.00 0.00 174.62 174.24 2eeh n THR 72 N 1.02 1.99 0.14 5.08 5.66 -1.26 -4.78 114.28 122.13 2eeh n THR 72 Ca -0.20 -0.50 -0.15 0.00 -3.05 0.00 0.00 64.05 60.15 2eeh n THR 72 Cb 0.57 -1.99 -0.07 0.00 -1.55 0.00 0.00 70.33 67.29 2eeh n THR 72 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 175.07 171.99 2eeh h MET 73 N 2.99 -0.65 -0.42 1.09 4.05 -1.94 -2.84 114.93 117.21 2eeh h MET 73 Ca -0.51 0.04 0.04 0.00 -0.28 0.00 0.00 59.70 58.99 2eeh h MET 73 Cb 1.24 0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 32.14 2eeh h MET 73 CO 0.64 -0.43 -0.25 0.41 0.23 0.00 0.00 176.91 177.51 2eeh n GLY 74 N -1.47 -2.61 0.26 1.39 0.00 -1.26 -0.77 105.19 100.72 2eeh n GLY 74 Ca -0.08 0.79 -0.07 0.00 0.00 0.00 0.00 46.02 46.66 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 -3.95 -0.65 -0.30 1.61 7.64 -1.13 0.17 113.62 117.01 2eeh n SER 75 Ca 0.01 1.47 0.04 0.00 1.01 0.00 0.00 58.87 61.40 2eeh n SER 75 Cb 0.11 -0.33 0.12 0.00 -1.01 0.00 0.00 64.21 63.10 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 -0.07 0.59 0.63 -0.43 0.00 -0.85 0.17 119.26 119.30 2eeh h ALA 76 Ca 0.10 0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 2eeh h ALA 76 Cb 0.25 0.64 0.01 0.00 0.00 0.00 0.00 17.79 18.69 2eeh h ALA 76 CO -0.58 -0.40 -0.30 0.28 0.00 0.00 0.00 179.25 178.25 2eeh h VAL 77 N 0.00 0.34 -1.95 0.00 2.07 0.23 0.58 116.25 117.53 2eeh h VAL 77 Ca 0.42 -0.12 0.57 0.00 0.82 0.00 0.00 66.70 68.38 2eeh h VAL 77 Cb 0.65 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 30.73 2eeh h VAL 77 CO -0.88 0.02 1.43 0.29 0.02 0.00 0.00 177.57 178.45 2eeh n LYS 78 N -5.42 0.00 -0.06 1.57 5.02 0.45 0.18 118.16 119.89 2eeh n LYS 78 Ca -0.13 1.08 -0.22 0.00 -2.02 0.00 0.00 58.31 57.03 2eeh n LYS 78 Cb 0.36 -2.51 -0.12 0.00 -0.02 0.00 0.00 35.03 32.73 2eeh n LYS 78 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2eeh n VAL 79 N -3.90 1.64 0.22 -0.18 3.14 -0.18 -3.08 118.33 115.99 2eeh n VAL 79 Ca 0.44 -0.29 0.14 0.00 -2.96 0.00 0.00 64.34 61.67 2eeh n VAL 79 Cb 2.01 -1.92 0.74 0.00 -1.06 0.00 0.00 33.84 33.61 2eeh n VAL 79 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2eeh h LEU 80 N -0.57 0.00 -2.27 6.55 3.38 0.74 0.84 115.31 123.98 2eeh h LEU 80 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2eeh h LEU 80 Cb 1.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.36 2eeh h LEU 80 CO -0.09 0.00 0.00 1.07 0.09 0.00 0.00 178.44 179.51 2eeh n THR 81 N -2.48 0.55 -3.69 0.22 5.66 0.32 -4.75 114.28 110.12 2eeh n THR 81 Ca -0.02 -0.78 -0.29 0.00 -3.05 0.00 0.00 64.05 59.92 2eeh n THR 81 Cb 0.10 0.86 -0.12 0.00 -1.55 0.00 0.00 70.33 69.62 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 -1.09 3.45 0.00 1.09 0.15 0.29 -5.03 113.70 112.56 2eeh s SER 82 Ca 0.24 -2.99 0.00 0.00 0.70 0.00 0.00 55.95 53.90 2eeh s SER 82 Cb 0.14 -1.04 0.00 0.00 -1.71 0.00 0.00 66.02 63.41 2eeh s SER 82 CO 0.19 -0.21 0.00 -0.24 1.20 0.00 0.00 173.24 174.19 2eeh n SER 83 N 3.05 0.00 -0.34 5.45 2.88 -1.26 -4.82 113.62 118.58 2eeh n SER 83 Ca 0.16 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.83 2eeh n SER 83 Cb 0.37 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 64.30 2eeh n SER 83 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2eeh n SER 84 N 0.00 1.19 -3.08 -3.46 2.88 -1.26 -2.62 113.62 107.27 2eeh n SER 84 Ca 0.00 -1.15 0.00 0.00 -1.33 0.00 0.00 58.87 56.39 2eeh n SER 84 Cb 0.00 0.06 -0.00 0.00 -0.75 0.00 0.00 64.21 63.51 2eeh n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2eeh s ARG 85 N -2.26 0.74 0.25 -1.46 1.70 -1.23 -4.16 118.95 112.54 2eeh s ARG 85 Ca 0.31 -0.32 -0.21 0.00 -0.47 0.00 0.00 55.73 55.04 2eeh s ARG 85 Cb 0.20 0.07 -0.09 0.00 -0.57 0.00 0.00 34.95 34.56 2eeh s ARG 85 CO 0.43 -1.05 0.77 -0.51 -1.08 0.00 0.00 175.30 173.87 2eeh s LEU 86 N 1.73 4.31 -0.55 -1.89 1.43 0.19 -4.88 118.68 119.02 2eeh s LEU 86 Ca 0.18 1.50 0.03 0.00 -1.03 0.00 0.00 54.13 54.80 2eeh s LEU 86 Cb -0.02 -3.73 0.14 0.00 0.03 0.00 0.00 46.19 42.61 2eeh s LEU 86 CO -0.08 -0.01 0.30 -1.00 0.23 0.00 0.00 176.35 175.79 2eeh s HIS 87 N -1.59 3.24 0.04 0.29 3.76 -1.26 -2.35 115.29 117.42 2eeh s HIS 87 Ca 0.46 -3.11 -0.00 0.00 -0.15 0.00 0.00 55.06 52.25 2eeh s HIS 87 Cb -0.16 -2.88 -0.04 0.00 1.11 0.00 0.00 32.58 30.60 2eeh s HIS 87 CO 0.21 -0.75 0.19 -1.64 -0.85 0.00 0.00 174.74 171.90 2eeh s MET 88 N -0.32 3.38 -0.12 1.40 -1.94 -1.20 -0.27 119.30 120.23 2eeh s MET 88 Ca 0.17 -0.43 -0.00 0.00 -1.71 0.00 0.00 55.69 53.72 2eeh s MET 88 Cb -0.24 -3.02 0.03 0.00 2.01 0.00 0.00 34.83 33.60 2eeh s MET 88 CO -0.01 0.62 -0.08 -1.64 -0.01 0.00 0.00 175.02 173.91 2eeh s MET 89 N -2.33 1.53 0.13 2.03 -1.94 -0.02 -3.00 119.30 115.71 2eeh s MET 89 Ca 0.32 -0.28 0.03 0.00 -1.71 0.00 0.00 55.69 54.05 2eeh s MET 89 Cb -0.13 -1.64 -0.04 0.00 2.01 0.00 0.00 34.83 35.04 2eeh s MET 89 CO 0.25 -0.28 0.20 0.14 -0.01 0.00 0.00 175.02 175.32 2eeh s VAL 90 N 1.70 4.98 -0.31 -6.03 -7.23 -1.20 -1.51 120.40 110.80 2eeh s VAL 90 Ca 0.05 -0.77 -0.05 0.00 -1.81 0.00 0.00 61.98 59.40 2eeh s VAL 90 Cb -0.13 -3.52 0.04 0.00 0.56 0.00 0.00 36.38 33.33 2eeh s VAL 90 CO -0.08 -0.03 0.05 -0.13 -0.31 0.00 0.00 175.10 174.59 2eeh s ARG 91 N -2.98 2.67 -0.05 4.82 0.52 -1.18 -1.08 118.95 121.69 2eeh s ARG 91 Ca 0.33 -1.12 -0.02 0.00 -0.52 0.00 0.00 55.73 54.40 2eeh s ARG 91 Cb -0.11 -3.30 0.03 0.00 0.52 0.00 0.00 34.95 32.09 2eeh s ARG 91 CO 0.26 -0.58 0.10 0.50 0.02 0.00 0.00 175.30 175.60 2eeh s ARG 92 N 1.37 0.05 1.07 3.54 3.52 -0.62 -4.73 118.95 123.15 2eeh s ARG 92 Ca -0.02 0.27 -0.16 0.00 -0.13 0.00 0.00 55.73 55.70 2eeh s ARG 92 Cb -0.19 -0.17 0.23 0.00 -1.56 0.00 0.00 34.95 33.26 2eeh s ARG 92 CO 0.01 -0.14 1.12 -1.64 -0.81 0.00 0.00 175.30 173.84 2eeh s MET 93 N 0.97 -0.20 -0.22 5.12 -1.94 -1.26 -2.29 119.30 119.48 2eeh s MET 93 Ca -0.08 0.15 -0.03 0.00 -1.71 0.00 0.00 55.69 54.02 2eeh s MET 93 Cb -0.10 -1.70 0.11 0.00 2.01 0.00 0.00 34.83 35.15 2eeh s MET 93 CO -0.04 -3.07 0.29 0.20 -0.01 0.00 0.00 175.02 172.39 2eeh s GLY 94 N -3.84 -0.19 0.29 -0.03 0.00 -1.26 -4.87 107.32 97.43 2eeh s GLY 94 Ca 0.68 0.58 0.03 0.00 0.00 0.00 0.00 44.72 46.01 2eeh s GLY 94 CO 0.56 2.38 0.06 -0.56 0.00 0.00 0.00 173.10 175.54 2eeh s SER 95 N 2.43 1.96 0.05 1.64 0.01 -1.26 -5.10 113.70 113.42 2eeh s SER 95 Ca 0.09 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 55.99 2eeh s SER 95 Cb -0.15 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.08 2eeh s SER 95 CO -0.14 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.49 2eeh n GLY 96 N -0.59 -2.76 3.79 3.44 0.00 -1.26 -4.99 105.19 102.83 2eeh n GLY 96 Ca -0.02 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 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 -3.47 1.21 0.16 1.61 0.04 -1.26 -5.03 135.00 128.26 2eeh s PRO 97 Ca 0.00 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.35 2eeh s PRO 97 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2eeh s PRO 97 CO 0.00 -2.15 0.00 0.45 0.04 0.00 0.00 177.00 175.34 2eeh n SER 98 N -3.74 0.44 -2.26 6.66 2.88 -1.26 -5.14 113.62 111.20 2eeh n SER 98 Ca 0.07 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 2eeh n SER 98 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 2eeh n SER 98 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2eeh n SER 99 N -3.37 -9.35 0.00 -3.46 2.88 -1.26 -5.33 113.62 93.72 2eeh n SER 99 Ca 0.00 1.68 0.00 0.00 -1.33 0.00 0.00 58.87 59.22 2eeh n SER 99 Cb 0.05 -5.21 0.00 0.00 -0.75 0.00 0.00 64.21 58.30 2eeh n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42