#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 2.00 -0.01 1.61 0.01 -1.26 -5.07 113.70 110.99 2eeh s SER 2 Ca 0.00 1.37 -0.28 0.00 1.31 0.00 0.00 55.95 58.35 2eeh s SER 2 Cb 0.00 -2.08 0.09 0.00 0.21 0.00 0.00 66.02 64.24 2eeh s SER 2 CO 0.00 -3.55 0.81 -0.94 0.41 0.00 0.00 173.24 169.97 2eeh s SER 3 N -3.05 -0.47 0.55 2.44 1.04 -1.26 -5.18 113.70 107.77 2eeh s SER 3 Ca 0.66 0.22 0.08 0.00 0.48 0.00 0.00 55.95 57.40 2eeh s SER 3 Cb -0.21 0.45 0.08 0.00 0.10 0.00 0.00 66.02 66.44 2eeh s SER 3 CO 0.60 -0.64 0.69 0.61 0.98 0.00 0.00 173.24 175.49 2eeh n GLY 4 N 0.14 2.11 0.61 7.32 0.00 -1.26 -5.08 105.19 109.03 2eeh n GLY 4 Ca -0.13 -2.24 -0.06 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.27 1.37 0.00 1.61 2.88 -1.26 -5.12 113.62 110.83 2eeh n SER 5 Ca 0.12 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2eeh n SER 5 Cb 0.57 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 -3.86 0.00 0.00 -3.46 7.64 -1.26 -5.19 113.62 107.49 2eeh n SER 6 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.78 2eeh n SER 6 Cb 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 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 -0.23 2.86 0.11 0.23 0.00 -1.26 -5.04 105.19 101.86 2eeh n GLY 7 Ca 0.00 -1.25 -0.18 0.00 0.00 0.00 0.00 46.02 44.59 2eeh n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eeh n SER 8 N 0.00 1.90 -4.61 1.61 3.41 -1.26 -4.94 113.62 109.73 2eeh n SER 8 Ca 0.00 0.42 -0.46 0.00 -0.26 0.00 0.00 58.87 58.57 2eeh n SER 8 Cb 0.00 -0.85 -0.03 0.00 -0.26 0.00 0.00 64.21 63.07 2eeh n SER 8 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2eeh n ASP 9 N -4.41 1.68 -4.21 4.04 9.92 -1.26 -4.98 116.55 117.32 2eeh n ASP 9 Ca -0.31 1.16 -0.13 0.00 -0.53 0.00 0.00 54.79 54.98 2eeh n ASP 9 Cb 0.64 -1.30 -0.10 0.00 -0.64 0.00 0.00 41.12 39.71 2eeh n ASP 9 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2eeh s ILE 10 N -0.56 0.97 0.26 0.53 1.01 -1.14 -5.01 121.20 117.27 2eeh s ILE 10 Ca 0.65 -1.96 -0.15 0.00 0.00 0.00 0.00 60.65 59.19 2eeh s ILE 10 Cb -0.74 -1.73 -0.08 0.00 0.01 0.00 0.00 42.46 39.92 2eeh s ILE 10 CO 0.55 -0.77 0.68 -0.63 0.00 0.00 0.00 174.94 174.77 2eeh s ILE 11 N -3.32 4.73 -0.05 2.92 -1.09 -1.26 -3.20 121.20 119.93 2eeh s ILE 11 Ca 0.14 0.91 -0.02 0.00 -2.23 0.00 0.00 60.65 59.45 2eeh s ILE 11 Cb 0.03 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 2eeh s ILE 11 CO -0.01 -0.03 0.05 -1.00 -1.23 0.00 0.00 174.94 172.72 2eeh s HIS 12 N -1.79 3.26 -0.18 3.97 3.76 -0.52 -4.96 115.29 118.82 2eeh s HIS 12 Ca 0.49 0.23 -0.03 0.00 -0.15 0.00 0.00 55.06 55.59 2eeh s HIS 12 Cb -0.12 -1.78 -0.02 0.00 1.11 0.00 0.00 32.58 31.77 2eeh s HIS 12 CO 0.19 0.54 -0.05 -1.12 -0.85 0.00 0.00 174.74 173.45 2eeh s SER 13 N -1.31 4.53 -0.03 1.40 0.01 -1.26 -3.56 113.70 113.48 2eeh s SER 13 Ca 0.18 -0.25 -0.08 0.00 1.31 0.00 0.00 55.95 57.11 2eeh s SER 13 Cb -0.12 -1.75 0.01 0.00 0.21 0.00 0.00 66.02 64.37 2eeh s SER 13 CO 0.08 0.09 0.17 0.54 0.41 0.00 0.00 173.24 174.53 2eeh s VAL 14 N 0.82 0.05 -0.30 3.43 0.11 -1.16 -4.99 120.40 118.36 2eeh s VAL 14 Ca -0.01 -0.40 0.02 0.00 -2.93 0.00 0.00 61.98 58.65 2eeh s VAL 14 Cb -0.15 -0.38 0.09 0.00 -1.53 0.00 0.00 36.38 34.41 2eeh s VAL 14 CO 0.02 -0.22 0.02 -0.13 -3.33 0.00 0.00 175.10 171.45 2eeh s ARG 15 N -0.80 1.40 0.21 1.54 0.52 -1.26 -2.67 118.95 117.89 2eeh s ARG 15 Ca -0.09 -1.40 0.03 0.00 -0.52 0.00 0.00 55.73 53.75 2eeh s ARG 15 Cb -0.05 -2.72 -0.03 0.00 0.52 0.00 0.00 34.95 32.67 2eeh s ARG 15 CO 0.01 -0.83 0.35 0.08 0.02 0.00 0.00 175.30 174.94 2eeh s VAL 16 N 1.22 5.26 0.19 3.52 1.01 -0.75 -4.71 120.40 126.16 2eeh s VAL 16 Ca 0.04 -0.75 0.10 0.00 0.00 0.00 0.00 61.98 61.37 2eeh s VAL 16 Cb -0.19 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2eeh s VAL 16 CO -0.11 -0.24 -0.17 -1.83 0.00 0.00 0.00 175.10 172.74 2eeh s GLU 17 N -3.65 1.78 0.97 2.72 -1.05 -1.26 -1.13 118.70 117.07 2eeh s GLU 17 Ca 0.35 -1.41 -0.14 0.00 -0.15 0.00 0.00 54.97 53.63 2eeh s GLU 17 Cb -0.10 -1.99 0.17 0.00 -0.44 0.00 0.00 34.13 31.77 2eeh s GLU 17 CO 0.29 0.42 1.15 -1.59 0.95 0.00 0.00 175.26 176.48 2eeh s LYS 18 N -2.76 0.68 -0.05 -4.83 -2.85 -1.25 -4.69 119.74 103.99 2eeh s LYS 18 Ca 0.23 0.17 -0.03 0.00 -1.00 0.00 0.00 55.97 55.34 2eeh s LYS 18 Cb -0.08 -1.80 0.03 0.00 -2.06 0.00 0.00 37.83 33.92 2eeh s LYS 18 CO 0.12 -2.49 0.12 -1.54 0.10 0.00 0.00 175.35 171.67 2eeh s SER 19 N -4.06 -0.09 -0.84 0.03 1.04 -1.26 -5.02 113.70 103.50 2eeh s SER 19 Ca 0.66 0.25 -0.25 0.00 0.48 0.00 0.00 55.95 57.09 2eeh s SER 19 Cb -0.13 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.16 2eeh s SER 19 CO 0.54 -0.12 1.63 -2.16 0.98 0.00 0.00 173.24 174.11 2eeh s PRO 20 N 0.89 3.02 0.00 4.02 0.04 -1.26 -3.72 135.00 137.98 2eeh s PRO 20 Ca -0.07 -0.33 0.00 0.00 0.04 0.00 0.00 61.00 60.64 2eeh s PRO 20 Cb -0.09 -4.81 0.00 0.00 0.04 0.00 0.00 34.50 29.64 2eeh s PRO 20 CO -0.04 -2.62 0.00 0.00 0.04 0.00 0.00 177.00 174.37 2eeh n ALA 21 N 11.20 0.00 0.00 8.56 0.00 -1.26 -5.04 120.51 133.97 2eeh n ALA 21 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2eeh n ALA 21 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 0.54 3.08 0.00 0.00 -1.24 -5.13 105.19 102.42 2eeh n GLY 22 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.85 2eeh n GLY 22 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2eeh s ARG 23 N 0.00 0.21 0.75 1.61 3.52 -1.26 -5.15 118.95 118.63 2eeh s ARG 23 Ca 0.00 0.12 -0.17 0.00 -0.13 0.00 0.00 55.73 55.55 2eeh s ARG 23 Cb 0.00 0.07 -0.10 0.00 -1.56 0.00 0.00 34.95 33.37 2eeh s ARG 23 CO 0.00 -0.37 -0.05 1.28 -0.81 0.00 0.00 175.30 175.35 2eeh n LEU 24 N 4.82 -2.53 0.07 -0.88 7.99 -1.26 -4.75 117.00 120.47 2eeh n LEU 24 Ca 0.08 0.47 0.06 0.00 -0.01 0.00 0.00 56.01 56.62 2eeh n LEU 24 Cb 0.58 -0.98 0.30 0.00 -0.11 0.00 0.00 43.42 43.21 2eeh n LEU 24 CO -0.14 -4.48 0.69 0.61 -1.51 0.00 0.00 177.39 172.56 2eeh n GLY 25 N 2.42 -0.80 3.34 -0.72 0.00 -1.26 -4.62 105.19 103.55 2eeh n GLY 25 Ca 0.06 0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 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 1.84 -0.16 1.61 -0.71 -1.26 -0.64 117.98 115.45 2eeh s PHE 26 Ca 0.01 -0.46 -0.03 0.00 -1.04 0.00 0.00 56.93 55.40 2eeh s PHE 26 Cb 0.05 -0.92 -0.02 0.00 -1.21 0.00 0.00 43.02 40.91 2eeh s PHE 26 CO 0.16 0.34 -0.05 0.45 -1.34 0.00 0.00 175.22 174.77 2eeh s SER 27 N -2.66 4.66 0.17 1.98 0.15 0.46 -4.97 113.70 113.50 2eeh s SER 27 Ca 0.16 -0.17 0.07 0.00 0.70 0.00 0.00 55.95 56.71 2eeh s SER 27 Cb -0.06 -1.76 -0.04 0.00 -1.71 0.00 0.00 66.02 62.45 2eeh s SER 27 CO 0.07 0.16 0.01 0.68 1.20 0.00 0.00 173.24 175.36 2eeh s VAL 28 N 0.42 3.83 0.16 4.45 -7.23 -1.26 0.16 120.40 120.93 2eeh s VAL 28 Ca -0.05 -1.35 0.10 0.00 -1.81 0.00 0.00 61.98 58.87 2eeh s VAL 28 Cb -0.14 -2.92 -0.04 0.00 0.56 0.00 0.00 36.38 33.83 2eeh s VAL 28 CO 0.03 -0.09 -0.22 0.00 -0.31 0.00 0.00 175.10 174.52 2eeh s ARG 29 N -2.90 1.34 0.00 4.82 1.70 0.31 -4.80 118.95 119.42 2eeh s ARG 29 Ca 0.28 -1.39 0.00 0.00 -0.47 0.00 0.00 55.73 54.14 2eeh s ARG 29 Cb -0.10 -1.57 0.00 0.00 -0.57 0.00 0.00 34.95 32.72 2eeh s ARG 29 CO 0.19 0.34 0.00 0.41 -1.08 0.00 0.00 175.30 175.16 2eeh n GLY 30 N 0.50 0.23 3.60 3.88 0.00 -1.26 -3.15 105.19 108.99 2eeh n GLY 30 Ca -0.15 -1.91 -0.24 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.12 2.92 -0.02 0.00 -1.25 -4.92 105.19 100.79 2eeh n GLY 31 Ca 0.00 0.49 -0.08 0.00 0.00 0.00 0.00 46.02 46.43 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 -3.25 -0.31 0.00 1.61 0.15 -1.26 -4.59 113.70 106.05 2eeh s SER 32 Ca 0.26 -1.39 0.00 0.00 0.70 0.00 0.00 55.95 55.52 2eeh s SER 32 Cb -0.10 1.27 0.00 0.00 -1.71 0.00 0.00 66.02 65.48 2eeh s SER 32 CO 0.85 -0.18 0.00 1.21 1.20 0.00 0.00 173.24 176.32 2eeh n GLU 33 N 4.01 0.00 -0.05 5.44 2.13 -1.26 -4.47 120.64 126.44 2eeh n GLU 33 Ca 0.13 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.89 2eeh n GLU 33 Cb 0.52 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.18 2eeh n GLU 33 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2eeh h HIS 34 N 0.00 -0.76 0.00 4.31 3.86 -1.99 -3.47 115.15 117.10 2eeh h HIS 34 Ca 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2eeh h HIS 34 Cb 0.00 0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.82 2eeh h HIS 34 CO 0.00 -0.23 0.00 0.41 0.86 0.00 0.00 177.93 178.97 2eeh n GLY 35 N -1.17 2.21 7.00 2.45 0.00 -1.26 -5.08 105.19 109.33 2eeh n GLY 35 Ca -0.02 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2eeh n GLY 35 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2eeh n LEU 36 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -3.77 117.00 112.96 2eeh n LEU 36 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2eeh n LEU 36 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2eeh n LEU 36 CO 0.00 -0.17 0.00 0.61 -0.00 0.00 0.00 177.39 177.83 2eeh n GLY 37 N 0.00 1.05 2.85 1.47 0.00 -1.25 -3.33 105.19 105.97 2eeh n GLY 37 Ca 0.00 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 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 3.38 0.84 -0.08 -0.61 -1.09 -1.22 -4.40 121.20 118.02 2eeh s ILE 38 Ca 0.00 -0.35 0.01 0.00 -2.23 0.00 0.00 60.65 58.08 2eeh s ILE 38 Cb 0.00 -1.02 -0.03 0.00 -1.58 0.00 0.00 42.46 39.84 2eeh s ILE 38 CO 0.00 0.18 -0.10 -0.36 -1.23 0.00 0.00 174.94 173.43 2eeh s PHE 39 N 1.76 2.84 0.43 3.97 0.40 -1.19 -0.60 117.98 125.59 2eeh s PHE 39 Ca 0.03 -0.17 -0.23 0.00 -0.60 0.00 0.00 56.93 55.96 2eeh s PHE 39 Cb -0.14 -1.72 -0.09 0.00 0.51 0.00 0.00 43.02 41.58 2eeh s PHE 39 CO -0.07 0.16 1.05 0.08 0.70 0.00 0.00 175.22 177.14 2eeh s VAL 40 N -0.50 3.71 0.00 -0.44 1.01 -0.06 0.11 120.40 124.23 2eeh s VAL 40 Ca 0.07 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.28 2eeh s VAL 40 Cb -0.12 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2eeh s VAL 40 CO 0.02 -0.07 0.00 -1.54 0.00 0.00 0.00 175.10 173.51 2eeh n SER 41 N -0.36 0.08 -4.02 3.32 3.41 0.42 -4.47 113.62 112.00 2eeh n SER 41 Ca 0.06 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.59 2eeh n SER 41 Cb 0.50 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.35 2eeh n SER 41 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2eeh s LYS 42 N -1.99 0.42 -0.23 4.33 2.47 -0.98 -4.76 119.74 119.00 2eeh s LYS 42 Ca 0.00 -0.83 -0.02 0.00 -1.56 0.00 0.00 55.97 53.56 2eeh s LYS 42 Cb 0.00 0.13 0.07 0.00 -1.46 0.00 0.00 37.83 36.57 2eeh s LYS 42 CO 0.00 -0.07 0.05 0.08 0.16 0.00 0.00 175.35 175.57 2eeh s VAL 43 N -2.33 0.68 0.23 4.02 1.01 -1.26 0.17 120.40 122.92 2eeh s VAL 43 Ca -0.08 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 60.77 2eeh s VAL 43 Cb -0.04 -1.27 -0.16 0.00 0.00 0.00 0.00 36.38 34.91 2eeh s VAL 43 CO -0.04 -0.35 0.66 1.21 0.00 0.00 0.00 175.10 176.58 2eeh n GLU 44 N 4.97 0.40 -1.79 2.72 0.00 0.19 -4.84 120.64 122.28 2eeh n GLU 44 Ca -0.07 0.14 -0.29 0.00 0.00 0.00 0.00 57.16 56.94 2eeh n GLU 44 Cb 0.45 -1.25 0.11 0.00 0.00 0.00 0.00 31.44 30.75 2eeh n GLU 44 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2eeh s GLU 45 N -1.17 1.67 -0.03 5.31 0.41 -1.26 -3.71 118.70 119.91 2eeh s GLU 45 Ca 0.62 0.15 -0.00 0.00 -0.41 0.00 0.00 54.97 55.33 2eeh s GLU 45 Cb -0.86 -1.91 0.00 0.00 -1.78 0.00 0.00 34.13 29.58 2eeh s GLU 45 CO 0.57 -1.81 0.01 0.41 -0.49 0.00 0.00 175.26 173.96 2eeh n GLY 46 N -3.00 -0.44 3.97 -1.39 0.00 -1.26 -4.84 105.19 98.23 2eeh n GLY 46 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 2eeh n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eeh s SER 47 N -1.81 4.93 0.20 1.61 1.04 -1.24 -5.02 113.70 113.41 2eeh s SER 47 Ca 0.01 -0.99 0.09 0.00 0.48 0.00 0.00 55.95 55.55 2eeh s SER 47 Cb -0.01 0.26 0.08 0.00 0.10 0.00 0.00 66.02 66.46 2eeh s SER 47 CO 0.02 -1.19 1.45 -1.28 0.98 0.00 0.00 173.24 173.22 2eeh h SER 48 N 0.47 0.00 0.34 7.02 0.87 -1.88 -3.11 113.55 117.26 2eeh h SER 48 Ca -0.34 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.21 2eeh h SER 48 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 2eeh h SER 48 CO 0.48 0.80 -0.16 0.00 -0.53 0.00 0.00 176.83 177.42 2eeh h ALA 49 N 1.20 -0.89 -1.41 6.23 0.00 -1.87 1.48 119.26 123.99 2eeh h ALA 49 Ca -0.01 -0.10 0.43 0.00 0.00 0.00 0.00 54.91 55.23 2eeh h ALA 49 Cb 1.42 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 19.29 2eeh h ALA 49 CO 0.10 -0.86 0.97 0.93 0.00 0.00 0.00 179.25 180.39 2eeh h GLU 50 N -0.55 0.08 0.11 0.00 5.08 -1.64 1.51 114.58 119.17 2eeh h GLU 50 Ca -0.05 -0.01 -0.30 0.00 -1.00 0.00 0.00 59.36 58.01 2eeh h GLU 50 Cb 0.35 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2eeh h GLU 50 CO 0.08 0.06 -1.49 0.00 -1.00 0.00 0.00 179.01 176.65 2eeh h ARG 51 N 0.09 0.24 0.00 2.33 3.08 -1.43 -3.23 114.38 115.45 2eeh h ARG 51 Ca 0.76 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 60.40 2eeh h ARG 51 Cb 2.66 0.15 0.00 0.00 0.08 0.00 0.00 29.97 32.86 2eeh h ARG 51 CO -0.21 1.11 0.00 0.00 -1.07 0.00 0.00 179.97 179.80 2eeh h ALA 52 N 0.52 1.00 0.00 0.04 0.00 1.31 -3.45 119.26 118.68 2eeh h ALA 52 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2eeh h ALA 52 Cb 2.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2eeh h ALA 52 CO 0.16 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2eeh n GLY 53 N -0.66 1.38 3.72 0.00 0.00 0.40 -4.27 105.19 105.76 2eeh n GLY 53 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 4.38 0.36 0.99 2.96 -0.66 -4.94 118.68 121.77 2eeh s LEU 54 Ca 0.00 2.14 -0.06 0.00 -0.22 0.00 0.00 54.13 55.99 2eeh s LEU 54 Cb 0.00 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.13 2eeh s LEU 54 CO 0.00 -0.52 0.58 0.00 -1.32 0.00 0.00 176.35 175.10 2eeh s VAL 56 N -2.75 3.32 0.00 0.00 1.01 -1.26 -4.02 120.40 116.69 2eeh s VAL 56 Ca 0.26 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.41 2eeh s VAL 56 Cb -0.02 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2eeh s VAL 56 CO 0.18 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2eeh n GLY 57 N 0.78 1.01 3.03 4.51 0.00 -1.26 -4.99 105.19 108.26 2eeh n GLY 57 Ca 0.02 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.19 0.43 -0.27 1.61 1.01 -1.26 -5.04 116.67 110.96 2eeh s ASP 58 Ca 0.00 -0.64 -0.00 0.00 0.71 0.00 0.00 52.55 52.62 2eeh s ASP 58 Cb 0.00 0.11 0.08 0.00 1.01 0.00 0.00 42.92 44.12 2eeh s ASP 58 CO 0.00 -0.36 0.03 -0.75 0.21 0.00 0.00 175.17 174.31 2eeh s LYS 59 N -2.11 1.06 -0.22 8.23 2.20 -1.26 -0.88 119.74 126.76 2eeh s LYS 59 Ca -0.09 -1.02 -0.29 0.00 -0.36 0.00 0.00 55.97 54.22 2eeh s LYS 59 Cb -0.05 -2.34 -0.03 0.00 -1.51 0.00 0.00 37.83 33.89 2eeh s LYS 59 CO -0.03 -0.80 1.78 0.42 -0.36 0.00 0.00 175.35 176.37 2eeh s ILE 60 N 1.51 3.47 -0.08 5.43 1.01 0.24 -3.69 121.20 129.09 2eeh s ILE 60 Ca 0.03 0.52 0.10 0.00 0.00 0.00 0.00 60.65 61.30 2eeh s ILE 60 Cb -0.18 -3.52 -0.24 0.00 0.01 0.00 0.00 42.46 38.53 2eeh s ILE 60 CO -0.14 -0.25 0.50 0.35 0.00 0.00 0.00 174.94 175.40 2eeh n THR 61 N 6.77 1.60 -3.65 2.92 -2.24 -0.72 -3.50 114.28 115.46 2eeh n THR 61 Ca 0.21 -0.78 -0.13 0.00 -2.27 0.00 0.00 64.05 61.09 2eeh n THR 61 Cb 0.45 -1.06 -0.06 0.00 -2.10 0.00 0.00 70.33 67.56 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 -2.57 0.95 -0.17 -0.78 2.12 -1.15 -1.20 118.70 115.90 2eeh s GLU 62 Ca -0.09 -0.39 -0.22 0.00 0.36 0.00 0.00 54.97 54.63 2eeh s GLU 62 Cb 0.07 0.43 0.06 0.00 0.26 0.00 0.00 34.13 34.95 2eeh s GLU 62 CO 0.81 -0.34 0.58 0.54 -0.54 0.00 0.00 175.26 176.32 2eeh s VAL 63 N -2.63 0.01 -1.30 3.70 0.11 -0.22 -0.28 120.40 119.78 2eeh s VAL 63 Ca -0.04 -0.05 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 2eeh s VAL 63 Cb -0.00 -0.84 0.00 0.00 -1.53 0.00 0.00 36.38 34.00 2eeh s VAL 63 CO -0.03 -0.02 0.00 -3.20 -3.33 0.00 0.00 175.10 168.51 2eeh n ASN 64 N 2.27 -3.44 0.00 3.54 2.85 -0.80 0.04 115.26 119.71 2eeh n ASN 64 Ca -0.15 0.29 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 2eeh n ASN 64 Cb 0.56 -3.18 0.00 0.00 1.24 0.00 0.00 39.78 38.40 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 -0.33 2.49 3.69 8.20 0.00 -1.26 -5.00 105.19 112.99 2eeh n GLY 65 Ca -0.13 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 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 4.39 -0.07 0.99 2.01 0.11 -4.94 118.68 121.16 2eeh s LEU 66 Ca 0.00 2.64 -0.28 0.00 0.01 0.00 0.00 54.13 56.49 2eeh s LEU 66 Cb 0.00 -3.56 -0.02 0.00 0.01 0.00 0.00 46.19 42.62 2eeh s LEU 66 CO 0.00 -0.96 0.94 -0.94 1.01 0.00 0.00 176.35 176.40 2eeh s SER 67 N 2.68 7.22 -0.63 2.29 1.04 -1.26 -1.05 113.70 123.99 2eeh s SER 67 Ca 0.78 1.49 0.02 0.00 0.48 0.00 0.00 55.95 58.72 2eeh s SER 67 Cb -0.43 -2.53 0.39 0.00 0.10 0.00 0.00 66.02 63.55 2eeh s SER 67 CO 0.35 -0.34 1.59 0.18 0.98 0.00 0.00 173.24 176.00 2eeh n LEU 68 N 4.54 6.20 -1.04 2.42 4.77 -0.34 -4.62 117.00 128.92 2eeh n LEU 68 Ca 0.06 -4.96 0.08 0.00 -0.03 0.00 0.00 56.01 51.17 2eeh n LEU 68 Cb 0.50 -0.76 0.24 0.00 -2.33 0.00 0.00 43.42 41.07 2eeh n LEU 68 CO 0.51 1.96 0.70 -0.62 -1.33 0.00 0.00 177.39 178.61 2eeh n GLU 69 N -0.55 2.43 0.00 3.23 1.02 -1.24 -3.44 120.64 122.09 2eeh n GLU 69 Ca 0.48 -1.94 0.00 0.00 -0.02 0.00 0.00 57.16 55.67 2eeh n GLU 69 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 2eeh n GLU 69 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2eeh n SER 70 N 0.96 0.00 -4.51 1.62 7.64 -1.23 -4.45 113.62 113.65 2eeh n SER 70 Ca 0.18 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.81 2eeh n SER 70 Cb 0.51 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.61 2eeh n SER 70 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2eeh s THR 71 N 0.00 2.43 0.29 0.44 -1.32 -1.21 -4.93 115.64 111.33 2eeh s THR 71 Ca 0.00 -2.30 -0.28 0.00 -1.21 0.00 0.00 61.69 57.89 2eeh s THR 71 Cb 0.00 -2.46 -0.09 0.00 -1.51 0.00 0.00 72.50 68.43 2eeh s THR 71 CO 0.00 -0.32 1.00 0.42 -2.21 0.00 0.00 174.62 173.51 2eeh s THR 72 N -2.54 3.89 0.12 5.08 -4.23 -1.26 -4.75 115.64 111.94 2eeh s THR 72 Ca 0.31 1.78 -0.30 0.00 -1.18 0.00 0.00 61.69 62.29 2eeh s THR 72 Cb -0.02 -4.08 -0.11 0.00 1.34 0.00 0.00 72.50 69.63 2eeh s THR 72 CO 0.16 0.33 1.50 -0.03 -0.54 0.00 0.00 174.62 176.04 2eeh h MET 73 N 3.65 -0.39 -0.33 3.99 4.05 -1.91 -1.90 114.93 122.09 2eeh h MET 73 Ca -0.46 0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.01 2eeh h MET 73 Cb 1.20 0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 32.05 2eeh h MET 73 CO 0.66 -0.26 -0.21 0.78 0.23 0.00 0.00 176.91 178.11 2eeh h GLY 74 N -0.41 -1.99 -0.67 1.39 0.00 -1.93 0.28 103.07 99.74 2eeh h GLY 74 Ca 0.06 1.01 0.06 0.00 0.00 0.00 0.00 47.33 48.45 2eeh h GLY 74 CO -0.51 -0.63 -0.40 1.44 0.00 0.00 0.00 176.54 176.44 2eeh n SER 75 N -3.79 -0.71 -0.20 0.19 7.64 -0.98 0.18 113.62 115.95 2eeh n SER 75 Ca 0.00 1.49 -0.05 0.00 1.01 0.00 0.00 58.87 61.33 2eeh n SER 75 Cb 0.10 -0.30 0.01 0.00 -1.01 0.00 0.00 64.21 63.00 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 0.04 -0.02 -0.21 -0.43 0.00 -0.44 0.16 119.26 118.35 2eeh h ALA 76 Ca 0.11 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.23 2eeh h ALA 76 Cb 0.28 0.76 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2eeh h ALA 76 CO -0.63 -0.66 -0.07 0.28 0.00 0.00 0.00 179.25 178.17 2eeh h VAL 77 N -0.16 0.76 -1.66 0.00 2.07 0.33 0.37 116.25 117.96 2eeh h VAL 77 Ca 0.23 0.00 0.49 0.00 0.82 0.00 0.00 66.70 68.24 2eeh h VAL 77 Cb 0.55 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 2eeh h VAL 77 CO -0.67 0.00 1.19 0.50 0.02 0.00 0.00 177.57 178.61 2eeh h LYS 78 N -0.02 0.01 0.08 1.57 3.64 0.49 1.43 116.57 123.77 2eeh h LYS 78 Ca 0.10 -0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.17 2eeh h LYS 78 Cb 0.18 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2eeh h LYS 78 CO -0.23 0.01 -1.72 1.55 -2.27 0.00 0.00 179.45 176.79 2eeh n VAL 79 N -4.09 1.69 0.18 2.00 3.14 0.38 -2.48 118.33 119.14 2eeh n VAL 79 Ca 0.38 -0.41 0.09 0.00 -2.96 0.00 0.00 64.34 61.44 2eeh n VAL 79 Cb 1.71 -1.86 0.46 0.00 -1.06 0.00 0.00 33.84 33.10 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 -3.86 0.46 -0.10 6.55 4.77 0.30 -0.02 117.00 125.09 2eeh n LEU 80 Ca -0.32 0.69 0.06 0.00 -0.03 0.00 0.00 56.01 56.41 2eeh n LEU 80 Cb 0.90 -0.72 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 2eeh n LEU 80 CO 0.33 -0.79 0.07 1.07 -1.33 0.00 0.00 177.39 176.74 2eeh n THR 81 N -2.09 0.00 -3.89 -5.08 5.66 0.41 -4.70 114.28 104.59 2eeh n THR 81 Ca -0.00 -0.28 -0.30 0.00 -3.05 0.00 0.00 64.05 60.42 2eeh n THR 81 Cb 0.06 1.05 -0.14 0.00 -1.55 0.00 0.00 70.33 69.76 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 -1.92 4.17 0.00 1.09 0.15 0.97 -4.89 113.70 113.28 2eeh s SER 82 Ca 0.07 -2.97 0.00 0.00 0.70 0.00 0.00 55.95 53.74 2eeh s SER 82 Cb 0.09 -1.50 0.00 0.00 -1.71 0.00 0.00 66.02 62.90 2eeh s SER 82 CO 0.42 -0.23 0.00 -1.20 1.20 0.00 0.00 173.24 173.43 2eeh n SER 83 N 3.14 0.00 -1.38 5.45 7.64 -1.25 -4.74 113.62 122.47 2eeh n SER 83 Ca 0.07 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.94 2eeh n SER 83 Cb 0.33 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.72 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 3.60 -2.66 6.43 7.64 -1.26 -3.75 113.62 123.62 2eeh n SER 84 Ca 0.00 -2.62 -0.01 0.00 1.01 0.00 0.00 58.87 57.25 2eeh n SER 84 Cb 0.00 -0.63 0.03 0.00 -1.01 0.00 0.00 64.21 62.60 2eeh n SER 84 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2eeh s ARG 85 N -1.95 0.03 0.16 1.43 0.52 -1.26 -4.85 118.95 113.03 2eeh s ARG 85 Ca 0.31 -0.03 -0.24 0.00 -0.52 0.00 0.00 55.73 55.26 2eeh s ARG 85 Cb 0.24 0.00 -0.08 0.00 0.52 0.00 0.00 34.95 35.63 2eeh s ARG 85 CO 0.08 -0.04 0.74 -0.51 0.02 0.00 0.00 175.30 175.59 2eeh s LEU 86 N 1.40 4.55 -0.51 2.53 1.43 -0.28 -4.94 118.68 122.85 2eeh s LEU 86 Ca 0.19 1.56 0.04 0.00 -1.03 0.00 0.00 54.13 54.89 2eeh s LEU 86 Cb 0.11 -3.29 0.13 0.00 0.03 0.00 0.00 46.19 43.18 2eeh s LEU 86 CO -0.14 0.19 0.26 -1.00 0.23 0.00 0.00 176.35 175.90 2eeh s HIS 87 N -1.20 3.00 0.09 0.29 3.76 -1.26 -1.80 115.29 118.17 2eeh s HIS 87 Ca 0.36 -3.06 -0.14 0.00 -0.15 0.00 0.00 55.06 52.06 2eeh s HIS 87 Cb -0.22 -2.67 -0.06 0.00 1.11 0.00 0.00 32.58 30.74 2eeh s HIS 87 CO 0.24 -0.74 0.50 -1.64 -0.85 0.00 0.00 174.74 172.25 2eeh s MET 88 N -0.23 3.97 -0.15 1.40 -1.94 -1.09 -1.90 119.30 119.36 2eeh s MET 88 Ca 0.17 0.47 -0.00 0.00 -1.71 0.00 0.00 55.69 54.62 2eeh s MET 88 Cb -0.25 -3.05 0.03 0.00 2.01 0.00 0.00 34.83 33.57 2eeh s MET 88 CO -0.00 0.56 -0.07 -1.64 -0.01 0.00 0.00 175.02 173.85 2eeh s MET 89 N -1.63 1.60 0.20 2.03 -1.94 0.62 -3.00 119.30 117.17 2eeh s MET 89 Ca 0.33 -0.45 0.05 0.00 -1.71 0.00 0.00 55.69 53.90 2eeh s MET 89 Cb -0.16 -1.90 -0.03 0.00 2.01 0.00 0.00 34.83 34.75 2eeh s MET 89 CO 0.18 -0.36 0.25 0.14 -0.01 0.00 0.00 175.02 175.22 2eeh s VAL 90 N 1.63 4.90 -0.24 -6.03 -7.23 -1.23 -1.76 120.40 110.44 2eeh s VAL 90 Ca 0.02 -1.02 -0.05 0.00 -1.81 0.00 0.00 61.98 59.12 2eeh s VAL 90 Cb -0.14 -3.58 -0.01 0.00 0.56 0.00 0.00 36.38 33.20 2eeh s VAL 90 CO -0.08 -0.21 0.01 -0.13 -0.31 0.00 0.00 175.10 174.37 2eeh s ARG 91 N -3.52 3.40 0.08 4.82 0.52 -1.24 -1.44 118.95 121.56 2eeh s ARG 91 Ca 0.33 -0.62 0.09 0.00 -0.52 0.00 0.00 55.73 55.01 2eeh s ARG 91 Cb -0.10 -3.15 -0.03 0.00 0.52 0.00 0.00 34.95 32.19 2eeh s ARG 91 CO 0.27 -0.24 -0.25 0.50 0.02 0.00 0.00 175.30 175.60 2eeh s ARG 92 N 1.52 1.55 0.00 3.54 3.52 -1.19 -4.79 118.95 123.10 2eeh s ARG 92 Ca 0.05 -1.17 0.10 0.00 -0.13 0.00 0.00 55.73 54.59 2eeh s ARG 92 Cb -0.15 -1.83 -0.11 0.00 -1.56 0.00 0.00 34.95 31.30 2eeh s ARG 92 CO -0.00 0.46 0.44 0.00 -0.81 0.00 0.00 175.30 175.38 2eeh n MET 93 N 1.45 3.56 0.00 5.12 0.00 -1.26 -2.88 117.12 123.11 2eeh n MET 93 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 57.70 57.50 2eeh n MET 93 Cb 0.53 -0.99 0.00 0.00 0.00 0.00 0.00 33.22 32.76 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 1.23 1.70 0.00 3.17 0.00 -1.26 -4.75 105.19 105.28 2eeh n GLY 94 Ca 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2eeh n GLY 94 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eeh n SER 95 N 0.00 0.00 -3.64 1.61 7.64 -1.26 -5.16 113.62 112.81 2eeh n SER 95 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 2eeh n SER 95 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 2eeh n SER 95 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2eeh s GLY 96 N 0.00 -0.18 0.68 0.23 0.00 -1.26 -5.15 107.32 101.65 2eeh s GLY 96 Ca 0.00 1.03 -0.12 0.00 0.00 0.00 0.00 44.72 45.64 2eeh s GLY 96 CO 0.00 2.10 1.06 2.56 0.00 0.00 0.00 173.10 178.82 2eeh s PRO 97 N 2.46 3.02 -0.18 2.90 0.04 -1.26 -5.08 135.00 136.91 2eeh s PRO 97 Ca 0.01 0.99 -0.16 0.00 0.04 0.00 0.00 61.00 61.88 2eeh s PRO 97 Cb -0.12 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.46 2eeh s PRO 97 CO -0.10 -1.04 0.47 0.45 0.04 0.00 0.00 177.00 176.82 2eeh s SER 98 N -3.64 -0.50 0.00 6.66 0.15 -1.26 -5.02 113.70 110.09 2eeh s SER 98 Ca 0.59 0.95 0.00 0.00 0.70 0.00 0.00 55.95 58.19 2eeh s SER 98 Cb -0.14 0.96 0.00 0.00 -1.71 0.00 0.00 66.02 65.12 2eeh s SER 98 CO 0.52 -0.17 0.00 -1.20 1.20 0.00 0.00 173.24 173.59 2eeh n SER 99 N 2.95 0.00 0.00 5.45 7.64 -1.26 -5.33 113.62 123.06 2eeh n SER 99 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 2eeh n SER 99 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 2eeh n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64