#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsn n MET 2 N 0.00 0.00 -5.14 0.00 0.00 -1.26 -5.01 117.12 105.70 1bsn n MET 2 Ca 0.00 -0.49 -0.31 0.00 0.00 0.00 0.00 57.70 56.90 1bsn n MET 2 Cb 0.00 -0.27 -0.17 0.00 0.00 0.00 0.00 33.22 32.78 1bsn n MET 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1bsn s THR 3 N 0.00 1.95 0.29 2.03 -4.23 -1.26 -4.60 115.64 109.82 1bsn s THR 3 Ca 0.00 -0.96 0.03 0.00 -1.18 0.00 0.00 61.69 59.58 1bsn s THR 3 Cb 0.00 -1.69 -0.01 0.00 1.34 0.00 0.00 72.50 72.14 1bsn s THR 3 CO 0.00 0.54 0.10 0.00 -0.54 0.00 0.00 174.62 174.72 1bsn n TYR 4 N 3.53 0.12 -4.74 3.99 4.11 0.10 -4.93 117.16 119.33 1bsn n TYR 4 Ca -0.19 -1.86 -0.33 0.00 -0.00 0.00 0.00 57.90 55.51 1bsn n TYR 4 Cb 0.53 -0.01 -0.16 0.00 -0.00 0.00 0.00 39.34 39.70 1bsn n TYR 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1bsn s HIS 5 N -2.63 2.73 -0.02 -3.48 5.65 -0.85 0.77 115.29 117.46 1bsn s HIS 5 Ca 0.14 -0.98 0.05 0.00 0.25 0.00 0.00 55.06 54.52 1bsn s HIS 5 Cb 0.01 -1.83 -0.01 0.00 -1.18 0.00 0.00 32.58 29.56 1bsn s HIS 5 CO 0.10 -0.42 -0.17 -0.48 -0.65 0.00 0.00 174.74 173.12 1bsn s LEU 6 N 0.61 2.01 -0.15 8.88 0.05 -0.79 -0.79 118.68 128.50 1bsn s LEU 6 Ca -0.10 -0.32 0.01 0.00 0.05 0.00 0.00 54.13 53.77 1bsn s LEU 6 Cb -0.16 -0.90 0.02 0.00 -2.05 0.00 0.00 46.19 43.10 1bsn s LEU 6 CO 0.03 0.20 -0.16 -0.62 -0.55 0.00 0.00 176.35 175.25 1bsn s ASP 7 N -0.32 2.79 -0.24 1.48 -1.08 0.49 -2.70 116.67 117.08 1bsn s ASP 7 Ca 0.05 -0.52 -0.00 0.00 -0.52 0.00 0.00 52.55 51.55 1bsn s ASP 7 Cb -0.08 -1.25 0.07 0.00 -1.46 0.00 0.00 42.92 40.20 1bsn s ASP 7 CO -0.00 -0.03 -0.00 0.54 0.52 0.00 0.00 175.17 176.20 1bsn s VAL 8 N 1.35 1.20 0.07 1.11 0.11 0.53 -0.35 120.40 124.43 1bsn s VAL 8 Ca 0.03 -1.13 0.08 0.00 -2.93 0.00 0.00 61.98 58.03 1bsn s VAL 8 Cb -0.13 -1.62 -0.03 0.00 -1.53 0.00 0.00 36.38 33.07 1bsn s VAL 8 CO -0.10 -0.24 -0.21 0.68 -3.33 0.00 0.00 175.10 171.90 1bsn s VAL 9 N 1.53 1.73 -0.12 2.04 -7.23 -1.05 -2.32 120.40 114.97 1bsn s VAL 9 Ca -0.01 -1.35 0.02 0.00 -1.81 0.00 0.00 61.98 58.82 1bsn s VAL 9 Cb -0.18 -1.53 0.01 0.00 0.56 0.00 0.00 36.38 35.25 1bsn s VAL 9 CO -0.10 0.11 -0.18 -0.44 -0.31 0.00 0.00 175.10 174.19 1bsn s SER 10 N -1.48 2.70 0.46 4.85 0.01 -1.21 -1.82 113.70 117.21 1bsn s SER 10 Ca 0.07 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1bsn s SER 10 Cb -0.09 -1.22 0.00 0.00 0.21 0.00 0.00 66.02 64.91 1bsn s SER 10 CO 0.03 0.03 0.00 0.00 0.41 0.00 0.00 173.24 173.71 1bsn n ALA 11 N 4.19 0.00 -3.24 1.44 0.00 -0.29 -2.53 120.51 120.09 1bsn n ALA 11 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.00 1bsn n ALA 11 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 1bsn n ALA 11 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1bsn n GLU 12 N 0.00 1.55 -3.47 0.00 0.28 -1.26 -5.09 120.64 112.65 1bsn n GLU 12 Ca 0.00 -3.85 -0.15 0.00 -0.16 0.00 0.00 57.16 53.00 1bsn n GLU 12 Cb 0.00 -1.70 -0.04 0.00 1.43 0.00 0.00 31.44 31.13 1bsn n GLU 12 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1bsn s GLN 13 N -1.97 1.15 -0.41 3.44 0.74 -1.05 -5.13 119.66 116.43 1bsn s GLN 13 Ca 0.39 -0.12 -0.12 0.00 0.05 0.00 0.00 55.36 55.56 1bsn s GLN 13 Cb 0.20 0.54 0.05 0.00 1.10 0.00 0.00 33.01 34.89 1bsn s GLN 13 CO -0.08 -0.44 0.26 -0.65 -0.55 0.00 0.00 175.29 173.83 1bsn s GLN 14 N -2.50 2.81 -0.17 1.67 1.11 -1.26 -3.34 119.66 117.98 1bsn s GLN 14 Ca -0.04 -1.22 -0.18 0.00 0.01 0.00 0.00 55.36 53.93 1bsn s GLN 14 Cb -0.01 -3.84 -0.22 0.00 -1.01 0.00 0.00 33.01 27.93 1bsn s GLN 14 CO -0.02 -0.83 0.34 0.52 0.01 0.00 0.00 175.29 175.31 1bsn h MET 15 N 8.50 0.09 -1.81 2.91 2.86 -1.85 -3.47 114.93 122.16 1bsn h MET 15 Ca -0.25 -0.16 0.07 0.00 -2.06 0.00 0.00 59.70 57.29 1bsn h MET 15 Cb 1.10 0.06 -0.21 0.00 0.06 0.00 0.00 31.60 32.61 1bsn h MET 15 CO 0.73 1.08 -0.18 0.12 1.06 0.00 0.00 176.91 179.71 1bsn s PHE 16 N -2.41 -1.36 -0.35 -0.22 2.19 -1.17 -5.00 117.98 109.65 1bsn s PHE 16 Ca -0.25 2.11 0.01 0.00 0.33 0.00 0.00 56.93 59.13 1bsn s PHE 16 Cb 0.05 0.71 0.14 0.00 -1.31 0.00 0.00 43.02 42.61 1bsn s PHE 16 CO 0.66 -0.71 0.29 -1.54 1.83 0.00 0.00 175.22 175.75 1bsn s SER 17 N 2.86 2.08 0.00 6.13 1.04 -1.25 -0.34 113.70 124.22 1bsn s SER 17 Ca 0.01 -1.75 0.00 0.00 0.48 0.00 0.00 55.95 54.68 1bsn s SER 17 Cb -0.13 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1bsn s SER 17 CO -0.19 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1bsn n GLY 18 N 4.30 -0.68 3.75 7.32 0.00 -1.10 -5.00 105.19 113.78 1bsn n GLY 18 Ca 0.10 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 1bsn n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bsn s LEU 19 N 0.00 4.65 0.02 0.99 1.43 -1.26 -1.89 118.68 122.62 1bsn s LEU 19 Ca 0.00 1.95 -0.11 0.00 -1.03 0.00 0.00 54.13 54.95 1bsn s LEU 19 Cb 0.00 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.62 1bsn s LEU 19 CO 0.00 0.15 0.22 0.54 0.23 0.00 0.00 176.35 177.49 1bsn s VAL 20 N -1.16 0.09 -0.27 -1.59 0.11 0.23 -2.59 120.40 115.24 1bsn s VAL 20 Ca 0.41 -0.73 -0.14 0.00 -2.93 0.00 0.00 61.98 58.58 1bsn s VAL 20 Cb -0.26 -0.73 -0.11 0.00 -1.53 0.00 0.00 36.38 33.75 1bsn s VAL 20 CO 0.32 -0.40 -0.35 1.21 -3.33 0.00 0.00 175.10 172.54 1bsn n GLU 21 N 0.99 0.58 -3.68 1.54 2.13 -0.25 -0.72 120.64 121.23 1bsn n GLU 21 Ca -0.20 0.25 -0.11 0.00 0.66 0.00 0.00 57.16 57.75 1bsn n GLU 21 Cb 0.57 -1.47 -0.09 0.00 0.27 0.00 0.00 31.44 30.72 1bsn n GLU 21 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1bsn s LYS 22 N -2.55 0.59 -0.06 5.31 2.20 -1.18 -4.19 119.74 119.85 1bsn s LYS 22 Ca -0.37 0.86 0.05 0.00 -0.36 0.00 0.00 55.97 56.14 1bsn s LYS 22 Cb 0.14 0.19 -0.00 0.00 -1.51 0.00 0.00 37.83 36.64 1bsn s LYS 22 CO 0.48 -0.11 -0.21 0.96 -0.36 0.00 0.00 175.35 176.10 1bsn s ILE 23 N 0.85 1.77 -0.25 5.43 -4.36 -0.47 0.32 121.20 124.49 1bsn s ILE 23 Ca -0.05 -0.89 -0.03 0.00 -0.26 0.00 0.00 60.65 59.42 1bsn s ILE 23 Cb -0.05 -1.51 0.01 0.00 1.25 0.00 0.00 42.46 42.16 1bsn s ILE 23 CO -0.07 0.50 -0.02 -1.10 0.24 0.00 0.00 174.94 174.48 1bsn s GLN 24 N 0.04 3.06 -0.23 0.37 -0.21 0.32 -1.32 119.66 121.69 1bsn s GLN 24 Ca -0.07 -0.84 -0.10 0.00 0.02 0.00 0.00 55.36 54.38 1bsn s GLN 24 Cb -0.14 -3.08 -0.05 0.00 1.00 0.00 0.00 33.01 30.75 1bsn s GLN 24 CO 0.04 -0.35 0.13 0.08 -2.12 0.00 0.00 175.29 173.07 1bsn s VAL 25 N 1.41 5.13 -0.28 1.09 1.01 -1.25 0.36 120.40 127.87 1bsn s VAL 25 Ca 0.02 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1bsn s VAL 25 Cb -0.16 -3.38 0.07 0.00 0.00 0.00 0.00 36.38 32.92 1bsn s VAL 25 CO -0.03 0.37 -0.05 -0.89 0.00 0.00 0.00 175.10 174.50 1bsn s THR 26 N 0.98 2.14 0.00 3.92 2.01 0.10 -3.36 115.64 121.42 1bsn s THR 26 Ca 0.06 -1.84 0.00 0.00 0.31 0.00 0.00 61.69 60.23 1bsn s THR 26 Cb -0.13 -2.37 0.00 0.00 0.01 0.00 0.00 72.50 70.01 1bsn s THR 26 CO 0.04 -0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.35 1bsn n GLY 27 N 4.40 0.10 2.18 4.40 0.00 -1.26 -1.32 105.19 113.68 1bsn n GLY 27 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1bsn n GLY 27 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bsn n SER 28 N -1.35 -3.23 -4.36 1.61 2.88 -1.26 -4.84 113.62 103.06 1bsn n SER 28 Ca 0.00 0.74 -0.45 0.00 -1.33 0.00 0.00 58.87 57.83 1bsn n SER 28 Cb 0.00 3.08 -0.04 0.00 -0.75 0.00 0.00 64.21 66.50 1bsn n SER 28 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1bsn s GLU 29 N -1.82 3.05 0.00 -1.46 2.02 -1.26 -4.75 118.70 114.48 1bsn s GLU 29 Ca 0.00 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 53.59 1bsn s GLU 29 Cb 0.00 -4.28 0.00 0.00 0.10 0.00 0.00 34.13 29.95 1bsn s GLU 29 CO 0.00 -1.51 0.00 0.41 0.02 0.00 0.00 175.26 174.18 1bsn n GLY 30 N 5.26 -0.72 2.37 -1.39 0.00 -1.26 -4.87 105.19 104.57 1bsn n GLY 30 Ca -0.09 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 1bsn n GLY 30 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bsn n GLU 31 N 0.81 2.43 -4.32 1.61 1.02 -1.26 -4.64 120.64 116.28 1bsn n GLU 31 Ca 0.00 -2.06 -0.24 0.00 -0.02 0.00 0.00 57.16 54.83 1bsn n GLU 31 Cb 0.00 -2.14 -0.12 0.00 -0.02 0.00 0.00 31.44 29.16 1bsn n GLU 31 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1bsn s LEU 32 N -1.60 2.34 0.00 -4.62 1.43 -1.21 -4.69 118.68 110.32 1bsn s LEU 32 Ca 0.61 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1bsn s LEU 32 Cb 0.36 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 45.63 1bsn s LEU 32 CO -0.16 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.09 1bsn n GLY 33 N 0.83 1.10 3.25 -3.19 0.00 -1.22 -3.90 105.19 102.06 1bsn n GLY 33 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 1bsn n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bsn s ILE 34 N 1.56 0.05 0.31 -0.61 -1.09 -0.43 -4.90 121.20 116.08 1bsn s ILE 34 Ca 0.00 -0.39 -0.13 0.00 -2.23 0.00 0.00 60.65 57.89 1bsn s ILE 34 Cb 0.00 -0.61 0.02 0.00 -1.58 0.00 0.00 42.46 40.29 1bsn s ILE 34 CO 0.00 -0.22 0.62 -0.72 -1.23 0.00 0.00 174.94 173.39 1bsn s TYR 35 N -1.12 0.32 -1.10 3.97 1.13 -1.26 -1.36 117.35 117.92 1bsn s TYR 35 Ca -0.12 -0.76 -0.23 0.00 -1.41 0.00 0.00 57.07 54.55 1bsn s TYR 35 Cb -0.05 0.43 -0.06 0.00 -1.10 0.00 0.00 41.96 41.19 1bsn s TYR 35 CO 0.04 -1.24 1.90 -1.25 -2.51 0.00 0.00 175.55 172.49 1bsn s PRO 36 N -3.31 2.68 0.00 -3.49 0.04 -1.26 -2.93 135.00 126.72 1bsn s PRO 36 Ca 0.20 -0.95 0.00 0.00 0.04 0.00 0.00 61.00 60.28 1bsn s PRO 36 Cb -0.03 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.29 1bsn s PRO 36 CO 0.12 -3.58 0.00 0.41 0.04 0.00 0.00 177.00 173.99 1bsn n GLY 37 N 6.16 0.77 3.95 0.56 0.00 -1.26 -4.98 105.19 110.39 1bsn n GLY 37 Ca 0.43 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.22 1bsn n GLY 37 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1bsn s HIS 38 N -0.68 3.42 0.77 1.61 2.46 -1.15 -5.08 115.29 116.63 1bsn s HIS 38 Ca 0.00 0.31 -0.11 0.00 0.47 0.00 0.00 55.06 55.73 1bsn s HIS 38 Cb 0.00 -2.01 0.05 0.00 -0.13 0.00 0.00 32.58 30.49 1bsn s HIS 38 CO 0.00 -0.01 1.08 0.00 -2.47 0.00 0.00 174.74 173.34 1bsn s ALA 39 N -2.38 2.30 -1.19 1.58 0.00 -1.26 -4.90 121.76 115.91 1bsn s ALA 39 Ca 0.42 0.11 -0.21 0.00 0.00 0.00 0.00 51.96 52.29 1bsn s ALA 39 Cb -0.10 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1bsn s ALA 39 CO 0.36 -1.67 1.89 -0.35 0.00 0.00 0.00 175.76 175.99 1bsn n PRO 40 N -3.44 2.13 -3.07 0.00 -0.04 -1.26 -4.85 135.00 124.47 1bsn n PRO 40 Ca 0.08 -2.66 -0.40 0.00 -0.04 0.00 0.00 63.50 60.48 1bsn n PRO 40 Cb 0.54 -3.56 -0.05 0.00 -0.04 0.00 0.00 33.50 30.38 1bsn n PRO 40 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bsn s LEU 41 N 7.63 4.16 -0.47 1.53 2.01 -1.26 -4.96 118.68 127.31 1bsn s LEU 41 Ca 0.62 0.92 0.08 0.00 0.01 0.00 0.00 54.13 55.76 1bsn s LEU 41 Cb 0.03 -2.97 0.31 0.00 0.01 0.00 0.00 46.19 43.57 1bsn s LEU 41 CO 0.11 -0.29 0.75 0.18 1.01 0.00 0.00 176.35 178.11 1bsn n LEU 42 N 5.01 2.17 0.00 1.79 4.77 -1.26 -3.22 117.00 126.26 1bsn n LEU 42 Ca -0.00 -5.20 0.00 0.00 -0.03 0.00 0.00 56.01 50.78 1bsn n LEU 42 Cb 0.50 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1bsn n LEU 42 CO 0.45 2.23 0.00 0.35 -1.33 0.00 0.00 177.39 179.09 1bsn n THR 43 N 0.46 0.00 -3.89 -5.08 -2.24 -1.24 -5.00 114.28 97.29 1bsn n THR 43 Ca 0.27 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.69 1bsn n THR 43 Cb 0.52 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.67 1bsn n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bsn s ALA 44 N -2.00 3.70 0.62 6.98 0.00 -1.26 -2.42 121.76 127.38 1bsn s ALA 44 Ca 0.00 -0.69 -0.17 0.00 0.00 0.00 0.00 51.96 51.11 1bsn s ALA 44 Cb 0.00 -1.99 -0.02 0.00 0.00 0.00 0.00 23.12 21.11 1bsn s ALA 44 CO 0.00 0.40 1.12 0.42 0.00 0.00 0.00 175.76 177.70 1bsn s ILE 45 N -0.35 3.19 0.11 0.00 1.01 0.46 -4.91 121.20 120.71 1bsn s ILE 45 Ca 0.11 0.62 -0.21 0.00 0.00 0.00 0.00 60.65 61.17 1bsn s ILE 45 Cb -0.12 -3.16 -0.07 0.00 0.01 0.00 0.00 42.46 39.12 1bsn s ILE 45 CO 0.01 -0.28 0.63 -0.54 0.00 0.00 0.00 174.94 174.76 1bsn s LYS 46 N -3.79 4.28 0.12 2.79 3.01 -1.26 -3.72 119.74 121.17 1bsn s LYS 46 Ca 0.69 0.84 -0.31 0.00 -1.01 0.00 0.00 55.97 56.18 1bsn s LYS 46 Cb -0.22 -3.21 -0.07 0.00 -1.01 0.00 0.00 37.83 33.31 1bsn s LYS 46 CO 0.36 0.61 1.29 -1.25 0.51 0.00 0.00 175.35 176.86 1bsn s PRO 47 N -1.20 4.39 0.00 -1.68 0.04 -1.26 -4.56 135.00 130.73 1bsn s PRO 47 Ca 0.32 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1bsn s PRO 47 Cb -0.20 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1bsn s PRO 47 CO 0.21 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.37 1bsn n GLY 48 N 3.00 -0.51 3.54 0.56 0.00 0.00 -4.18 105.19 107.62 1bsn n GLY 48 Ca 0.09 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 1bsn n GLY 48 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1bsn s MET 49 N -1.92 2.13 -0.06 1.61 0.23 -0.43 -1.71 119.30 119.15 1bsn s MET 49 Ca 0.00 -0.99 0.02 0.00 -1.03 0.00 0.00 55.69 53.69 1bsn s MET 49 Cb 0.00 -2.28 0.01 0.00 -1.53 0.00 0.00 34.83 31.03 1bsn s MET 49 CO 0.00 0.53 -0.11 -1.50 -2.03 0.00 0.00 175.02 171.91 1bsn s ILE 50 N -1.10 1.00 -0.22 3.16 2.07 0.33 0.02 121.20 126.45 1bsn s ILE 50 Ca 0.19 -0.41 -0.11 0.00 -1.41 0.00 0.00 60.65 58.90 1bsn s ILE 50 Cb -0.11 -0.92 -0.05 0.00 0.13 0.00 0.00 42.46 41.51 1bsn s ILE 50 CO 0.10 0.32 0.19 -0.60 -1.91 0.00 0.00 174.94 173.04 1bsn s ARG 51 N 0.62 4.12 -0.20 3.50 3.52 0.16 0.21 118.95 130.88 1bsn s ARG 51 Ca -0.12 -0.18 0.01 0.00 -0.13 0.00 0.00 55.73 55.30 1bsn s ARG 51 Cb -0.15 -3.51 0.03 0.00 -1.56 0.00 0.00 34.95 29.76 1bsn s ARG 51 CO 0.03 0.11 -0.16 0.42 -0.81 0.00 0.00 175.30 174.88 1bsn s ILE 52 N 0.92 2.21 -0.43 4.11 1.01 0.20 0.12 121.20 129.33 1bsn s ILE 52 Ca 0.10 -1.06 -0.27 0.00 0.00 0.00 0.00 60.65 59.42 1bsn s ILE 52 Cb -0.13 -2.02 0.02 0.00 0.01 0.00 0.00 42.46 40.34 1bsn s ILE 52 CO 0.04 0.40 0.99 -0.69 0.00 0.00 0.00 174.94 175.67 1bsn s VAL 53 N 1.27 4.44 0.61 2.92 1.01 0.15 -0.89 120.40 129.91 1bsn s VAL 53 Ca 0.02 1.06 -0.19 0.00 0.00 0.00 0.00 61.98 62.87 1bsn s VAL 53 Cb -0.15 -4.45 -0.02 0.00 0.00 0.00 0.00 36.38 31.76 1bsn s VAL 53 CO -0.10 -0.77 1.32 1.17 0.00 0.00 0.00 175.10 176.72 1bsn n LYS 54 N 7.21 1.34 -0.34 2.72 0.00 -1.05 -1.09 118.16 126.94 1bsn n LYS 54 Ca 0.08 0.51 0.28 0.00 0.00 0.00 0.00 58.31 59.19 1bsn n LYS 54 Cb 0.48 -2.56 0.60 0.00 0.00 0.00 0.00 35.03 33.55 1bsn n LYS 54 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1bsn h GLN 55 N 0.87 0.23 -1.57 1.64 -0.00 -1.71 -3.36 115.11 111.21 1bsn h GLN 55 Ca -0.51 -0.01 0.09 0.00 -0.00 0.00 0.00 58.65 58.22 1bsn h GLN 55 Cb 1.33 -0.05 -0.27 0.00 0.00 0.00 0.00 27.48 28.49 1bsn h GLN 55 CO 0.55 0.15 0.42 -1.58 0.00 0.00 0.00 178.83 178.37 1bsn s HIS 56 N -5.31 -0.53 0.00 3.99 5.04 -1.26 -4.73 115.29 112.49 1bsn s HIS 56 Ca -0.08 1.15 0.00 0.00 -1.54 0.00 0.00 55.06 54.60 1bsn s HIS 56 Cb 0.25 0.37 0.00 0.00 0.04 0.00 0.00 32.58 33.24 1bsn s HIS 56 CO 0.80 -0.26 0.00 0.41 -2.34 0.00 0.00 174.74 173.35 1bsn n GLY 57 N 3.01 1.28 0.75 1.59 0.00 -1.26 -5.06 105.19 105.50 1bsn n GLY 57 Ca -0.16 -0.66 -0.05 0.00 0.00 0.00 0.00 46.02 45.15 1bsn n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bsn n HIS 58 N 0.00 -0.03 -4.43 1.61 8.25 -1.26 -5.04 115.22 114.32 1bsn n HIS 58 Ca 0.00 -0.61 -0.22 0.00 -0.26 0.00 0.00 57.72 56.63 1bsn n HIS 58 Cb 0.00 0.02 -0.10 0.00 1.12 0.00 0.00 29.99 31.03 1bsn n HIS 58 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1bsn s GLU 59 N -2.34 1.56 0.19 -0.41 -1.05 -1.26 -2.53 118.70 112.86 1bsn s GLU 59 Ca 0.06 -1.72 0.04 0.00 -0.15 0.00 0.00 54.97 53.20 1bsn s GLU 59 Cb 0.00 -1.49 -0.05 0.00 -0.44 0.00 0.00 34.13 32.15 1bsn s GLU 59 CO 0.04 0.24 -0.04 -1.21 0.95 0.00 0.00 175.26 175.25 1bsn s GLU 60 N -3.58 1.21 -0.12 -4.83 2.02 -0.06 -4.94 118.70 108.40 1bsn s GLU 60 Ca 0.27 -1.58 -0.00 0.00 0.02 0.00 0.00 54.97 53.69 1bsn s GLU 60 Cb -0.02 -0.59 0.02 0.00 0.10 0.00 0.00 34.13 33.64 1bsn s GLU 60 CO 0.12 -0.03 -0.09 -0.06 0.02 0.00 0.00 175.26 175.22 1bsn s PHE 61 N -3.40 1.63 0.29 1.61 0.08 -1.26 0.59 117.98 117.51 1bsn s PHE 61 Ca 0.23 -0.83 0.10 0.00 0.12 0.00 0.00 56.93 56.55 1bsn s PHE 61 Cb 0.04 -1.31 -0.05 0.00 -0.57 0.00 0.00 43.02 41.14 1bsn s PHE 61 CO 0.05 -0.54 -0.09 0.42 -0.10 0.00 0.00 175.22 174.97 1bsn s ILE 62 N 1.63 2.81 -0.01 0.64 1.01 0.13 -2.45 121.20 124.96 1bsn s ILE 62 Ca 0.04 -2.14 0.03 0.00 0.00 0.00 0.00 60.65 58.58 1bsn s ILE 62 Cb -0.13 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 1bsn s ILE 62 CO -0.08 -0.34 -0.11 -0.47 0.00 0.00 0.00 174.94 173.94 1bsn s TYR 63 N -2.46 1.01 -0.08 3.97 6.14 0.20 0.12 117.35 126.25 1bsn s TYR 63 Ca 0.32 -0.19 -0.10 0.00 0.64 0.00 0.00 57.07 57.74 1bsn s TYR 63 Cb -0.04 -0.65 0.02 0.00 0.42 0.00 0.00 41.96 41.72 1bsn s TYR 63 CO 0.18 -0.02 0.26 -0.48 0.64 0.00 0.00 175.55 176.13 1bsn s LEU 64 N -0.26 1.03 -0.37 6.97 2.34 -0.69 -0.46 118.68 127.23 1bsn s LEU 64 Ca 0.04 0.43 -0.00 0.00 0.06 0.00 0.00 54.13 54.66 1bsn s LEU 64 Cb -0.04 0.92 0.32 0.00 -0.56 0.00 0.00 46.19 46.83 1bsn s LEU 64 CO -0.00 -0.15 1.88 -1.20 -1.06 0.00 0.00 176.35 175.81 1bsn n SER 65 N 2.65 5.72 0.00 1.48 7.64 -0.79 -0.82 113.62 129.51 1bsn n SER 65 Ca -0.14 -3.18 0.00 0.00 1.01 0.00 0.00 58.87 56.56 1bsn n SER 65 Cb 0.58 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1bsn n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bsn n GLY 66 N -0.18 2.96 0.00 0.23 0.00 -1.26 -4.68 105.19 102.27 1bsn n GLY 66 Ca 0.39 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1bsn n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bsn n GLY 67 N -0.05 0.82 3.89 -0.02 0.00 -1.24 -3.62 105.19 104.95 1bsn n GLY 67 Ca 0.00 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 1bsn n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bsn s ILE 68 N -2.00 5.40 0.04 -0.61 1.01 0.22 0.18 121.20 125.44 1bsn s ILE 68 Ca 0.00 0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.79 1bsn s ILE 68 Cb 0.00 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 1bsn s ILE 68 CO 0.00 0.46 -0.07 -1.48 0.00 0.00 0.00 174.94 173.85 1bsn s LEU 69 N -1.51 2.23 -0.01 2.97 2.34 -1.02 0.14 118.68 123.82 1bsn s LEU 69 Ca 0.23 -0.50 0.01 0.00 0.06 0.00 0.00 54.13 53.93 1bsn s LEU 69 Cb -0.13 -0.14 0.00 0.00 -0.56 0.00 0.00 46.19 45.36 1bsn s LEU 69 CO 0.12 -0.19 -0.04 -1.83 -1.06 0.00 0.00 176.35 173.35 1bsn s GLU 70 N -1.43 0.42 -0.12 1.48 -1.05 0.21 -3.68 118.70 114.54 1bsn s GLU 70 Ca -0.10 -0.13 -0.06 0.00 -0.15 0.00 0.00 54.97 54.53 1bsn s GLU 70 Cb -0.09 -0.44 -0.04 0.00 -0.44 0.00 0.00 34.13 33.12 1bsn s GLU 70 CO 0.00 0.06 0.11 0.54 0.95 0.00 0.00 175.26 176.91 1bsn s VAL 71 N 0.13 5.21 0.40 1.83 0.11 -1.20 -0.78 120.40 126.10 1bsn s VAL 71 Ca -0.01 0.10 0.05 0.00 -2.93 0.00 0.00 61.98 59.19 1bsn s VAL 71 Cb -0.05 -3.26 -0.07 0.00 -1.53 0.00 0.00 36.38 31.47 1bsn s VAL 71 CO -0.00 0.60 0.03 -1.10 -3.33 0.00 0.00 175.10 171.30 1bsn s GLN 72 N -0.86 1.89 -1.06 1.54 -0.21 0.27 -4.85 119.66 116.39 1bsn s GLN 72 Ca 0.14 -2.09 -0.19 0.00 0.02 0.00 0.00 55.36 53.24 1bsn s GLN 72 Cb -0.12 -1.35 -0.07 0.00 1.00 0.00 0.00 33.01 32.46 1bsn s GLN 72 CO 0.03 -0.14 2.04 -0.35 -2.12 0.00 0.00 175.29 174.74 1bsn n PRO 73 N -0.91 2.07 0.00 2.91 -0.04 -1.26 -3.19 135.00 134.58 1bsn n PRO 73 Ca -0.06 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.20 1bsn n PRO 73 Cb 0.67 -3.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 1bsn n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bsn n GLY 74 N 4.44 1.34 3.27 0.55 0.00 -1.26 -5.11 105.19 108.42 1bsn n GLY 74 Ca 0.50 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.41 1bsn n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bsn s ASN 75 N -0.68 0.13 -0.09 1.61 2.20 -1.19 -2.01 114.94 114.89 1bsn s ASN 75 Ca 0.00 -1.31 -0.05 0.00 -0.94 0.00 0.00 52.86 50.56 1bsn s ASN 75 Cb 0.00 0.42 0.04 0.00 -2.00 0.00 0.00 41.25 39.71 1bsn s ASN 75 CO 0.00 -0.90 0.22 0.54 -2.94 0.00 0.00 177.10 174.02 1bsn s VAL 76 N -4.12 -0.04 0.01 3.54 0.11 0.03 0.97 120.40 120.91 1bsn s VAL 76 Ca 0.36 0.14 0.06 0.00 -2.93 0.00 0.00 61.98 59.61 1bsn s VAL 76 Cb 0.06 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 1bsn s VAL 76 CO 0.12 0.06 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.89 1bsn s THR 77 N 1.14 2.88 0.01 5.04 2.01 0.04 -0.38 115.64 126.37 1bsn s THR 77 Ca -0.08 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 60.88 1bsn s THR 77 Cb -0.10 -2.18 -0.01 0.00 0.01 0.00 0.00 72.50 70.22 1bsn s THR 77 CO -0.07 0.42 -0.02 0.68 -0.69 0.00 0.00 174.62 174.94 1bsn s VAL 78 N -0.87 0.10 -0.10 3.82 -7.23 0.53 0.65 120.40 117.29 1bsn s VAL 78 Ca 0.14 -0.30 0.01 0.00 -1.81 0.00 0.00 61.98 60.02 1bsn s VAL 78 Cb -0.11 -0.14 0.02 0.00 0.56 0.00 0.00 36.38 36.72 1bsn s VAL 78 CO 0.04 -0.13 -0.11 -0.76 -0.31 0.00 0.00 175.10 173.83 1bsn s LEU 79 N -0.45 1.47 0.00 1.32 1.43 0.37 -2.53 118.68 120.29 1bsn s LEU 79 Ca -0.04 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 1bsn s LEU 79 Cb -0.03 -0.93 -0.02 0.00 0.03 0.00 0.00 46.19 45.25 1bsn s LEU 79 CO -0.00 -0.04 0.15 0.00 0.23 0.00 0.00 176.35 176.69 1bsn n ALA 80 N 4.48 0.49 -0.82 4.21 0.00 -0.75 0.71 120.51 128.83 1bsn n ALA 80 Ca -0.17 -1.61 0.00 0.00 0.00 0.00 0.00 53.44 51.66 1bsn n ALA 80 Cb 0.51 1.16 0.00 0.00 0.00 0.00 0.00 19.45 21.11 1bsn n ALA 80 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bsn n ASP 81 N -1.75 0.00 -4.56 0.00 8.00 -1.24 -1.13 116.55 115.86 1bsn n ASP 81 Ca -0.01 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.10 1bsn n ASP 81 Cb 0.48 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.53 1bsn n ASP 81 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1bsn s THR 82 N -0.18 3.20 -0.07 -3.53 2.01 -1.26 -4.15 115.64 111.67 1bsn s THR 82 Ca 0.00 0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.16 1bsn s THR 82 Cb 0.00 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.04 1bsn s THR 82 CO 0.00 -0.39 -0.09 0.00 -0.69 0.00 0.00 174.62 173.45 1bsn s ALA 83 N 9.89 2.89 -0.09 7.40 0.00 -1.26 -1.88 121.76 138.71 1bsn s ALA 83 Ca 0.84 -0.91 -0.15 0.00 0.00 0.00 0.00 51.96 51.74 1bsn s ALA 83 Cb -0.18 -1.17 0.03 0.00 0.00 0.00 0.00 23.12 21.81 1bsn s ALA 83 CO 0.26 0.56 0.37 0.42 0.00 0.00 0.00 175.76 177.37 1bsn s ILE 84 N -0.75 0.02 0.43 0.00 1.01 0.39 -4.99 121.20 117.32 1bsn s ILE 84 Ca 0.11 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.61 1bsn s ILE 84 Cb -0.11 -0.60 0.01 0.00 0.01 0.00 0.00 42.46 41.77 1bsn s ILE 84 CO 0.01 -0.11 0.62 -0.13 0.00 0.00 0.00 174.94 175.33 1bsn s ARG 85 N -0.50 2.91 0.43 2.79 0.52 -1.26 0.61 118.95 124.45 1bsn s ARG 85 Ca -0.06 -0.85 0.14 0.00 -0.52 0.00 0.00 55.73 54.43 1bsn s ARG 85 Cb -0.04 -2.66 1.01 0.00 0.52 0.00 0.00 34.95 33.79 1bsn s ARG 85 CO 0.03 -0.28 1.97 0.78 0.02 0.00 0.00 175.30 177.82 1bsn h GLY 86 N 0.51 0.62 -5.20 -3.53 0.00 -1.80 -2.77 103.07 90.89 1bsn h GLY 86 Ca -0.44 -0.18 -0.51 0.00 0.00 0.00 0.00 47.33 46.20 1bsn h GLY 86 CO 0.52 0.10 -0.93 0.61 0.00 0.00 0.00 176.54 176.85 1bsn n GLN 87 N -4.47 2.25 0.01 4.80 10.64 -1.26 -3.09 117.38 126.26 1bsn n GLN 87 Ca 0.10 -4.04 -0.07 0.00 -1.83 0.00 0.00 57.00 51.16 1bsn n GLN 87 Cb 0.38 -1.88 -0.04 0.00 -0.86 0.00 0.00 30.24 27.83 1bsn n GLN 87 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 1bsn h ASP 88 N 2.89 -0.75 0.00 2.61 3.58 -1.87 -3.46 116.42 119.43 1bsn h ASP 88 Ca 0.11 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1bsn h ASP 88 Cb 0.88 0.29 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1bsn h ASP 88 CO 0.68 -0.22 0.00 0.18 -2.88 0.00 0.00 179.24 177.00 1bsn n LEU 89 N -3.81 0.00 -4.72 2.28 4.77 -1.26 -4.98 117.00 109.27 1bsn n LEU 89 Ca -0.03 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.56 1bsn n LEU 89 Cb 0.17 0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 1bsn n LEU 89 CO 0.04 -0.47 0.36 -0.62 -1.33 0.00 0.00 177.39 175.37 1bsn s ASP 90 N -2.88 6.96 0.00 -1.43 -1.08 -1.26 -5.00 116.67 111.99 1bsn s ASP 90 Ca 0.00 1.16 0.00 0.00 -0.52 0.00 0.00 52.55 53.19 1bsn s ASP 90 Cb 0.00 -2.39 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 1bsn s ASP 90 CO 0.00 -0.06 0.00 -0.62 0.52 0.00 0.00 175.17 175.01 1bsn n GLU 91 N 3.56 0.00 0.02 4.34 1.02 -1.26 -4.39 120.64 123.94 1bsn n GLU 91 Ca -0.03 0.20 0.10 0.00 -0.02 0.00 0.00 57.16 57.42 1bsn n GLU 91 Cb 0.51 -0.68 0.54 0.00 -0.02 0.00 0.00 31.44 31.79 1bsn n GLU 91 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bsn h ALA 92 N -2.00 2.02 -0.28 0.62 0.00 -2.02 -2.21 119.26 115.39 1bsn h ALA 92 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1bsn h ALA 92 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1bsn h ALA 92 CO 0.00 -0.10 0.21 0.00 0.00 0.00 0.00 179.25 179.37 1bsn h ARG 93 N 0.29 0.00 -0.89 0.00 3.08 -1.99 -1.38 114.38 113.49 1bsn h ARG 93 Ca 0.18 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.41 1bsn h ARG 93 Cb 0.36 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.34 1bsn h ARG 93 CO -0.04 0.00 0.58 0.00 -1.07 0.00 0.00 179.97 179.44 1bsn h ALA 94 N 1.83 2.05 -0.28 0.04 0.00 -1.60 0.26 119.26 121.55 1bsn h ALA 94 Ca 0.13 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 1bsn h ALA 94 Cb 0.56 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1bsn h ALA 94 CO -0.00 -0.32 -0.42 0.52 0.00 0.00 0.00 179.25 179.03 1bsn h MET 95 N 0.51 0.69 -0.32 0.00 2.86 -1.45 -3.11 114.93 114.12 1bsn h MET 95 Ca 0.46 -0.37 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 1bsn h MET 95 Cb 0.98 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.62 1bsn h MET 95 CO -0.19 0.99 0.10 1.49 1.06 0.00 0.00 176.91 180.35 1bsn h GLU 96 N 0.56 0.22 -0.45 1.72 4.81 -1.03 -1.40 114.58 119.02 1bsn h GLU 96 Ca 0.04 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.34 1bsn h GLU 96 Cb 0.97 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.23 1bsn h GLU 96 CO 0.09 0.15 0.05 0.00 -0.73 0.00 0.00 179.01 178.56 1bsn h ALA 97 N 1.21 0.46 -0.01 2.92 0.00 -1.45 0.06 119.26 122.44 1bsn h ALA 97 Ca 0.14 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1bsn h ALA 97 Cb 0.13 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1bsn h ALA 97 CO -0.16 -0.35 -0.08 -0.22 0.00 0.00 0.00 179.25 178.44 1bsn h LYS 98 N 0.16 -0.12 -0.36 0.00 3.11 -1.33 0.39 116.57 118.43 1bsn h LYS 98 Ca 0.22 0.01 0.06 0.00 -2.81 0.00 0.00 60.65 58.13 1bsn h LYS 98 Cb 0.31 0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.52 1bsn h LYS 98 CO -0.33 -0.08 0.06 0.00 -2.81 0.00 0.00 179.45 176.28 1bsn h ARG 99 N -0.13 0.17 -0.41 1.90 3.08 -0.62 0.22 114.38 118.60 1bsn h ARG 99 Ca 0.04 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1bsn h ARG 99 Cb 0.17 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1bsn h ARG 99 CO -0.09 0.11 -0.00 0.87 -1.07 0.00 0.00 179.97 179.79 1bsn h LYS 100 N 0.17 0.65 -0.48 0.04 1.57 -0.60 -2.65 116.57 115.28 1bsn h LYS 100 Ca 0.17 -0.16 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 1bsn h LYS 100 Cb 0.20 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1bsn h LYS 100 CO -0.24 0.67 -0.23 0.00 -0.57 0.00 0.00 179.45 179.08 1bsn h ALA 101 N 1.38 0.68 -0.68 3.86 0.00 0.96 -3.04 119.26 122.42 1bsn h ALA 101 Ca 0.13 -0.40 0.13 0.00 0.00 0.00 0.00 54.91 54.77 1bsn h ALA 101 Cb 0.39 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 1bsn h ALA 101 CO 0.01 0.68 0.19 1.49 0.00 0.00 0.00 179.25 181.63 1bsn h GLU 102 N 0.86 0.31 -0.17 0.00 4.57 -0.24 -1.88 114.58 118.02 1bsn h GLU 102 Ca 0.11 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.32 1bsn h GLU 102 Cb 0.82 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 29.27 1bsn h GLU 102 CO 0.07 0.21 -0.26 1.49 -1.18 0.00 0.00 179.01 179.34 1bsn h GLU 103 N 0.32 -0.29 -0.54 1.92 4.81 -1.44 -0.11 114.58 119.26 1bsn h GLU 103 Ca 0.37 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.72 1bsn h GLU 103 Cb 0.57 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 1bsn h GLU 103 CO -0.43 -0.19 0.37 0.45 -0.73 0.00 0.00 179.01 178.48 1bsn h HIS 104 N -0.30 0.29 -0.17 0.92 3.86 -1.39 -0.09 115.15 118.28 1bsn h HIS 104 Ca 0.11 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1bsn h HIS 104 Cb 0.48 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.85 1bsn h HIS 104 CO -0.38 0.14 0.00 -0.89 0.86 0.00 0.00 177.93 177.66 1bsn n ILE 105 N -4.45 0.20 0.12 2.45 5.41 -0.49 -4.26 119.36 118.34 1bsn n ILE 105 Ca 0.09 -0.45 0.03 0.00 1.00 0.00 0.00 62.75 63.42 1bsn n ILE 105 Cb 0.41 0.74 0.42 0.00 -0.71 0.00 0.00 39.64 40.51 1bsn n ILE 105 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 1bsn h SER 106 N 3.24 0.22 -5.14 4.38 0.87 0.77 -3.45 113.55 114.44 1bsn h SER 106 Ca 0.00 -0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.46 1bsn h SER 106 Cb 0.70 -0.06 -0.13 0.00 -0.44 0.00 0.00 62.40 62.48 1bsn h SER 106 CO 0.00 0.33 -0.19 -0.55 -0.53 0.00 0.00 176.83 175.90 1bsn s SER 107 N -6.88 -0.09 0.00 6.23 0.15 -1.26 -5.12 113.70 106.73 1bsn s SER 107 Ca -0.06 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.05 1bsn s SER 107 Cb 0.16 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1bsn s SER 107 CO 0.72 -0.86 0.00 -0.24 1.20 0.00 0.00 173.24 174.07 1bsn n SER 108 N -0.19 0.00 -0.77 5.45 2.88 -1.26 -4.99 113.62 114.74 1bsn n SER 108 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 1bsn n SER 108 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1bsn n SER 108 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1bsn n HIS 109 N -1.46 -0.07 0.00 0.66 8.25 -1.26 -5.00 115.22 116.34 1bsn n HIS 109 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1bsn n HIS 109 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1bsn n HIS 109 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bsn n GLY 110 N 0.00 -1.41 0.04 -1.41 0.00 -1.26 -4.12 105.19 97.02 1bsn n GLY 110 Ca 0.00 -1.58 -0.02 0.00 0.00 0.00 0.00 46.02 44.43 1bsn n GLY 110 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bsn h ASP 111 N 0.00 0.00 -0.83 1.61 3.32 -2.03 -3.39 116.42 115.10 1bsn h ASP 111 Ca 0.00 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.65 1bsn h ASP 111 Cb 0.00 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.31 1bsn h ASP 111 CO 0.00 0.38 0.51 1.33 -1.72 0.00 0.00 179.24 179.74 1bsn n VAL 112 N -3.66 2.87 0.00 -1.35 0.24 -1.26 -4.31 118.33 110.85 1bsn n VAL 112 Ca -0.02 -1.62 0.00 0.00 -2.04 0.00 0.00 64.34 60.66 1bsn n VAL 112 Cb 0.09 -0.51 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 1bsn n VAL 112 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bsn n ASP 113 N -0.77 0.00 -0.04 -1.34 2.03 -1.26 -4.11 116.55 111.06 1bsn n ASP 113 Ca 0.49 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.84 1bsn n ASP 113 Cb 1.48 0.00 0.41 0.00 -0.72 0.00 0.00 41.12 42.28 1bsn n ASP 113 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 1bsn h TYR 114 N 0.00 0.57 -0.98 -0.67 -0.00 -1.86 -1.79 116.97 112.24 1bsn h TYR 114 Ca 0.00 0.01 0.23 0.00 0.00 0.00 0.00 58.73 58.98 1bsn h TYR 114 Cb 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 36.73 36.45 1bsn h TYR 114 CO 0.00 0.35 0.64 0.00 -0.00 0.00 0.00 178.16 179.15 1bsn h ALA 115 N 1.71 2.16 -0.26 0.10 0.00 -1.83 0.23 119.26 121.37 1bsn h ALA 115 Ca 0.19 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1bsn h ALA 115 Cb 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1bsn h ALA 115 CO -0.04 -0.51 0.08 1.96 0.00 0.00 0.00 179.25 180.73 1bsn h GLN 116 N 0.44 0.41 -0.26 0.00 4.20 -1.47 -2.12 115.11 116.31 1bsn h GLN 116 Ca 0.54 -0.09 0.08 0.00 0.06 0.00 0.00 58.65 59.24 1bsn h GLN 116 Cb 1.30 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.01 1bsn h GLN 116 CO -0.25 0.49 0.20 0.00 -0.67 0.00 0.00 178.83 178.59 1bsn h ALA 117 N 0.90 2.21 -0.65 3.87 0.00 -0.63 -1.28 119.26 123.69 1bsn h ALA 117 Ca 0.08 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1bsn h ALA 117 Cb 0.25 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1bsn h ALA 117 CO -0.00 -0.33 0.32 1.03 0.00 0.00 0.00 179.25 180.27 1bsn h SER 118 N 0.00 0.43 -0.86 0.00 0.87 -0.60 0.32 113.55 113.72 1bsn h SER 118 Ca 0.13 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 1bsn h SER 118 Cb 0.52 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.41 1bsn h SER 118 CO -0.00 0.27 0.46 0.00 -0.53 0.00 0.00 176.83 177.03 1bsn h ALA 119 N 1.38 1.19 -0.55 6.23 0.00 -1.26 -0.49 119.26 125.76 1bsn h ALA 119 Ca 0.31 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1bsn h ALA 119 Cb 0.27 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1bsn h ALA 119 CO -0.23 0.65 0.20 0.93 0.00 0.00 0.00 179.25 180.79 1bsn h GLU 120 N 1.21 0.83 0.94 0.00 4.39 -0.94 -1.28 114.58 119.73 1bsn h GLU 120 Ca 0.30 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.79 1bsn h GLU 120 Cb 0.04 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1bsn h GLU 120 CO -0.05 0.74 -0.45 1.25 -1.16 0.00 0.00 179.01 179.34 1bsn h LEU 121 N 0.75 -1.07 -1.33 1.33 6.46 0.31 -2.42 115.31 119.34 1bsn h LEU 121 Ca 0.18 0.04 0.22 0.00 -0.12 0.00 0.00 57.88 58.20 1bsn h LEU 121 Cb 0.24 0.28 -0.09 0.00 -0.73 0.00 0.00 40.66 40.36 1bsn h LEU 121 CO -0.01 -0.76 0.63 0.00 -0.62 0.00 0.00 178.44 177.67 1bsn h ALA 122 N -1.19 2.08 -0.44 1.25 0.00 -1.07 0.14 119.26 120.03 1bsn h ALA 122 Ca -0.13 0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1bsn h ALA 122 Cb 0.97 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1bsn h ALA 122 CO 0.21 -0.43 0.16 -0.22 0.00 0.00 0.00 179.25 178.97 1bsn h LYS 123 N 0.50 0.32 0.00 0.00 3.64 -0.75 -0.62 116.57 119.65 1bsn h LYS 123 Ca 0.54 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.84 1bsn h LYS 123 Cb 1.22 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 1bsn h LYS 123 CO -0.27 0.21 -0.28 0.00 -2.27 0.00 0.00 179.45 176.84 1bsn h ALA 124 N 1.29 1.09 0.00 5.00 0.00 -0.63 -2.80 119.26 123.21 1bsn h ALA 124 Ca 0.21 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1bsn h ALA 124 Cb 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1bsn h ALA 124 CO -0.21 0.35 -0.42 0.82 0.00 0.00 0.00 179.25 179.80 1bsn h ILE 125 N 0.00 0.81 -0.33 0.00 5.03 -0.51 -3.28 117.51 119.22 1bsn h ILE 125 Ca -0.00 -1.83 0.04 0.00 -0.12 0.00 0.00 64.86 62.95 1bsn h ILE 125 Cb 0.73 2.17 -0.04 0.00 -3.03 0.00 0.00 36.82 36.65 1bsn h ILE 125 CO 0.04 0.41 0.09 0.00 -0.68 0.00 0.00 178.15 178.00 1bsn h ALA 126 N 1.58 0.37 0.00 1.87 0.00 -0.94 -1.34 119.26 120.80 1bsn h ALA 126 Ca -0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1bsn h ALA 126 Cb 1.14 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1bsn h ALA 126 CO 0.05 -0.31 -0.12 -0.56 0.00 0.00 0.00 179.25 178.32 1bsn h GLN 127 N 0.22 0.00 0.00 0.00 3.07 -1.70 -1.64 115.11 115.06 1bsn h GLN 127 Ca 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.86 1bsn h GLN 127 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.71 1bsn h GLN 127 CO -0.18 0.12 -0.16 1.25 0.09 0.00 0.00 178.83 179.94 1bsn h LEU 128 N 0.00 0.00 -0.15 0.06 5.85 -1.36 -2.71 115.31 117.00 1bsn h LEU 128 Ca -0.00 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 1bsn h LEU 128 Cb 0.23 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.28 1bsn h LEU 128 CO 0.02 0.16 -0.84 0.03 -0.34 0.00 0.00 178.44 177.47 1bsn h ARG 129 N 0.00 0.73 -0.26 1.25 3.08 -1.16 -3.02 114.38 114.99 1bsn h ARG 129 Ca -0.00 -0.64 -0.18 0.00 0.07 0.00 0.00 59.98 59.23 1bsn h ARG 129 Cb 0.46 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1bsn h ARG 129 CO 0.02 1.24 -0.55 -0.39 -1.07 0.00 0.00 179.97 179.22 1bsn h VAL 130 N 0.48 1.28 -0.62 2.04 -1.51 -1.54 -2.82 116.25 113.57 1bsn h VAL 130 Ca -0.07 -1.75 -0.04 0.00 -1.23 0.00 0.00 66.70 63.61 1bsn h VAL 130 Cb 1.47 1.66 -0.03 0.00 -2.13 0.00 0.00 31.29 32.26 1bsn h VAL 130 CO 0.17 0.56 0.22 -0.29 -1.23 0.00 0.00 177.57 177.00 1bsn h ILE 131 N 0.61 1.23 -0.72 7.19 2.10 -1.42 -0.68 117.51 125.82 1bsn h ILE 131 Ca 0.01 -0.74 -0.06 0.00 1.08 0.00 0.00 64.86 65.15 1bsn h ILE 131 Cb 1.14 0.52 -0.03 0.00 -1.09 0.00 0.00 36.82 37.36 1bsn h ILE 131 CO 0.12 0.29 0.24 -0.33 -1.08 0.00 0.00 178.15 177.39 1bsn h GLU 132 N 0.90 1.12 -0.45 2.19 4.39 -1.47 -2.94 114.58 118.31 1bsn h GLU 132 Ca 0.21 -0.23 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 1bsn h GLU 132 Cb 0.22 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1bsn h GLU 132 CO -0.01 0.95 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.66 1bsn h LEU 133 N 1.06 0.83 -1.58 1.33 4.07 -1.12 -2.90 115.31 116.99 1bsn h LEU 133 Ca 0.23 -0.34 0.15 0.00 0.08 0.00 0.00 57.88 58.00 1bsn h LEU 133 Cb 0.29 -0.22 -0.05 0.00 1.08 0.00 0.00 40.66 41.76 1bsn h LEU 133 CO -0.01 0.97 0.50 0.71 -1.08 0.00 0.00 178.44 179.53 1bsn h THR 134 N 0.67 0.80 -1.00 0.22 1.35 -0.97 -0.45 112.91 113.54 1bsn h THR 134 Ca 0.12 -0.14 0.12 0.00 -0.55 0.00 0.00 66.41 65.95 1bsn h THR 134 Cb 0.58 0.34 -0.08 0.00 -1.73 0.00 0.00 68.15 67.26 1bsn h THR 134 CO 0.03 0.08 0.62 0.11 -0.25 0.00 0.00 175.52 176.12 1bsn h LYS 135 N 0.42 0.96 -1.09 4.72 1.57 -1.42 -1.29 116.57 120.43 1bsn h LYS 135 Ca 0.37 -0.06 -0.53 0.00 -1.87 0.00 0.00 60.65 58.56 1bsn h LYS 135 Cb 0.83 -0.22 -0.25 0.00 0.08 0.00 0.00 32.23 32.67 1bsn h LYS 135 CO -0.12 0.64 0.68 1.63 -0.57 0.00 0.00 179.45 181.71 1bsn n LYS 136 N -4.62 2.30 -2.88 3.15 5.02 -0.18 -4.45 118.16 116.50 1bsn n LYS 136 Ca 0.19 -2.71 -0.13 0.00 -2.02 0.00 0.00 58.31 53.64 1bsn n LYS 136 Cb 0.35 -2.06 0.01 0.00 -0.02 0.00 0.00 35.03 33.30 1bsn n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bsn n ALA 137 N -0.69 2.82 -1.75 7.82 0.00 -0.49 -5.08 120.51 123.14 1bsn n ALA 137 Ca 0.53 -3.23 0.00 0.00 0.00 0.00 0.00 53.44 50.73 1bsn n ALA 137 Cb 0.96 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1bsn n ALA 137 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17