#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mao s MET 0 N 0.00 3.43 0.20 -1.46 1.00 -1.26 -4.97 119.30 116.24 3mao s MET 0 Ca 0.00 1.36 -0.31 0.00 0.00 0.00 0.00 55.69 56.74 3mao s MET 0 Cb 0.00 -2.04 -0.10 0.00 0.00 0.00 0.00 34.83 32.69 3mao s MET 0 CO 0.00 -0.74 1.56 -1.21 0.00 0.00 0.00 175.02 174.63 3mao s GLU 10 N -3.63 4.21 -0.19 2.03 0.41 -1.26 -5.01 118.70 115.26 3mao s GLU 10 Ca 0.67 2.39 -0.03 0.00 -0.41 0.00 0.00 54.97 57.59 3mao s GLU 10 Cb -0.18 -3.13 0.06 0.00 -1.78 0.00 0.00 34.13 29.10 3mao s GLU 10 CO 0.30 -0.58 0.04 0.08 -0.49 0.00 0.00 175.26 174.60 3mao s VAL 11 N 0.81 0.43 -2.74 2.63 1.01 -1.26 -4.52 120.40 116.76 3mao s VAL 11 Ca 0.68 -0.48 0.23 0.00 0.00 0.00 0.00 61.98 62.42 3mao s VAL 11 Cb -0.44 -0.95 0.29 0.00 0.00 0.00 0.00 36.38 35.28 3mao s VAL 11 CO 0.35 -0.21 1.31 0.49 0.00 0.00 0.00 175.10 177.05 3mao n PHE 12 N 5.09 0.22 -0.26 5.22 3.72 -1.26 -4.59 117.46 125.60 3mao n PHE 12 Ca -0.09 -0.11 0.07 0.00 -0.05 0.00 0.00 57.45 57.27 3mao n PHE 12 Cb 0.47 -0.00 0.19 0.00 -0.94 0.00 0.00 39.48 39.21 3mao n PHE 12 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3mao h GLN 13 N 4.57 0.20 -0.38 -1.08 4.15 -1.88 -2.18 115.11 118.51 3mao h GLN 13 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3mao h GLN 13 Cb 0.99 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.63 3mao h GLN 13 CO 0.00 0.14 0.00 0.09 -1.93 0.00 0.00 178.83 177.13 3mao n ASN 14 N -5.22 4.15 -4.64 -0.69 3.02 -1.26 -4.76 115.26 105.86 3mao n ASN 14 Ca 0.15 -2.74 -0.38 0.00 -0.03 0.00 0.00 54.58 51.58 3mao n ASN 14 Cb 0.50 -0.52 -0.09 0.00 -0.61 0.00 0.00 39.78 39.06 3mao n ASN 14 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3mao s HIS 15 N -2.35 3.30 -0.22 3.10 2.46 -0.82 -4.98 115.29 115.78 3mao s HIS 15 Ca 0.42 0.42 0.21 0.00 0.47 0.00 0.00 55.06 56.58 3mao s HIS 15 Cb 0.31 -2.48 0.49 0.00 -0.13 0.00 0.00 32.58 30.77 3mao s HIS 15 CO 0.14 -0.09 1.13 1.19 -2.47 0.00 0.00 174.74 174.64 3mao n PHE 16 N 4.80 1.20 -2.73 3.88 3.72 -1.26 -5.02 117.46 122.05 3mao n PHE 16 Ca -0.10 -1.86 -0.29 0.00 -0.05 0.00 0.00 57.45 55.15 3mao n PHE 16 Cb 0.51 -0.23 -0.02 0.00 -0.94 0.00 0.00 39.48 38.80 3mao n PHE 16 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3mao s GLU 17 N -3.13 3.67 0.01 -1.08 0.41 -1.26 -5.00 118.70 112.31 3mao s GLU 17 Ca 0.32 0.36 -0.30 0.00 -0.41 0.00 0.00 54.97 54.94 3mao s GLU 17 Cb 0.34 -2.37 -0.05 0.00 -1.78 0.00 0.00 34.13 30.27 3mao s GLU 17 CO -0.05 -0.13 1.31 -1.25 -0.49 0.00 0.00 175.26 174.65 3mao s PRO 18 N -4.27 4.33 0.00 0.39 0.04 -1.26 -4.76 135.00 129.47 3mao s PRO 18 Ca 0.50 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.40 3mao s PRO 18 Cb -0.10 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.94 3mao s PRO 18 CO 0.38 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.35 3mao n GLY 19 N 3.49 -0.89 3.09 0.56 0.00 -1.26 -1.61 105.19 108.56 3mao n GLY 19 Ca 0.12 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.90 3mao n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mao s VAL 20 N -3.00 1.20 -0.24 1.61 1.01 -0.63 -1.31 120.40 119.04 3mao s VAL 20 Ca 0.00 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.22 3mao s VAL 20 Cb 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 3mao s VAL 20 CO 0.00 0.35 0.48 -0.31 0.00 0.00 0.00 175.10 175.62 3mao s TYR 21 N 0.07 3.30 0.32 5.22 2.02 0.75 -0.40 117.35 128.62 3mao s TYR 21 Ca -0.03 0.63 0.08 0.00 -0.37 0.00 0.00 57.07 57.38 3mao s TYR 21 Cb -0.10 -2.66 -0.03 0.00 -0.40 0.00 0.00 41.96 38.77 3mao s TYR 21 CO 0.01 -0.19 0.24 0.14 -1.57 0.00 0.00 175.55 174.18 3mao s VAL 22 N 1.98 3.64 0.11 0.71 -7.23 0.11 -1.41 120.40 118.31 3mao s VAL 22 Ca 0.21 -1.44 -0.31 0.00 -1.81 0.00 0.00 61.98 58.62 3mao s VAL 22 Cb -0.15 -3.18 -0.10 0.00 0.56 0.00 0.00 36.38 33.50 3mao s VAL 22 CO 0.09 -0.22 1.80 0.00 -0.31 0.00 0.00 175.10 176.46 3mao h ALA 24 N 8.55 1.27 0.14 0.00 0.00 -1.38 -0.28 119.26 127.54 3mao h ALA 24 Ca -0.45 -0.06 -0.35 0.00 0.00 0.00 0.00 54.91 54.05 3mao h ALA 24 Cb 1.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3mao h ALA 24 CO 0.94 0.08 -1.84 -0.22 0.00 0.00 0.00 179.25 178.22 3mao h LYS 25 N 0.00 0.29 0.00 0.00 3.64 -1.89 -3.43 116.57 115.17 3mao h LYS 25 Ca -0.00 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3mao h LYS 25 Cb 0.22 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3mao h LYS 25 CO 0.01 1.23 -0.03 0.00 -2.27 0.00 0.00 179.45 178.39 3mao n GLY 27 N 0.79 0.80 3.77 0.00 0.00 -0.12 -4.98 105.19 105.45 3mao n GLY 27 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3mao n GLY 27 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3mao s TYR 28 N -3.02 2.63 0.02 1.61 6.04 -1.26 -4.45 117.35 118.92 3mao s TYR 28 Ca 0.00 1.34 -0.30 0.00 0.04 0.00 0.00 57.07 58.14 3mao s TYR 28 Cb 0.00 -3.80 -0.05 0.00 -1.04 0.00 0.00 41.96 37.07 3mao s TYR 28 CO 0.00 -2.52 1.22 -1.21 -1.54 0.00 0.00 175.55 171.50 3mao s GLU 29 N -2.36 4.39 -0.03 4.97 8.01 -1.26 -0.57 118.70 131.85 3mao s GLU 29 Ca 0.59 1.77 -0.07 0.00 0.01 0.00 0.00 54.97 57.27 3mao s GLU 29 Cb -0.41 -3.43 -0.03 0.00 -4.31 0.00 0.00 34.13 25.96 3mao s GLU 29 CO 0.52 -0.34 -0.14 1.28 0.01 0.00 0.00 175.26 176.59 3mao n LEU 30 N 4.42 1.31 -3.90 1.80 4.77 -0.50 -4.47 117.00 120.43 3mao n LEU 30 Ca 0.10 0.20 -0.17 0.00 -0.03 0.00 0.00 56.01 56.11 3mao n LEU 30 Cb 0.46 -0.46 -0.15 0.00 -2.33 0.00 0.00 43.42 40.93 3mao n LEU 30 CO 0.56 -0.42 -0.39 -0.36 -1.33 0.00 0.00 177.39 175.45 3mao s PHE 31 N -2.33 0.45 0.35 -1.77 0.08 -0.68 -1.01 117.98 113.08 3mao s PHE 31 Ca -0.12 -0.08 -0.23 0.00 0.12 0.00 0.00 56.93 56.62 3mao s PHE 31 Cb 0.02 -0.40 -0.10 0.00 -0.57 0.00 0.00 43.02 41.98 3mao s PHE 31 CO 0.17 -0.08 0.90 0.45 -0.10 0.00 0.00 175.22 176.56 3mao s SER 32 N 0.47 7.12 0.54 1.36 0.15 -1.26 -0.18 113.70 121.90 3mao s SER 32 Ca -0.05 1.69 0.32 0.00 0.70 0.00 0.00 55.95 58.61 3mao s SER 32 Cb -0.08 -2.53 1.49 0.00 -1.71 0.00 0.00 66.02 63.19 3mao s SER 32 CO -0.01 -0.17 1.88 0.77 1.20 0.00 0.00 173.24 176.92 3mao h SER 33 N 2.70 0.00 0.91 5.45 4.64 -1.50 -1.03 113.55 124.72 3mao h SER 33 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3mao h SER 33 Cb 1.19 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3mao h SER 33 CO 0.64 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.63 3mao h ARG 34 N 0.00 0.00 -0.01 4.77 3.08 -1.92 -2.53 114.38 117.77 3mao h ARG 34 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 3mao h ARG 34 Cb 1.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.84 3mao h ARG 34 CO -0.01 0.00 -0.49 0.43 -1.07 0.00 0.00 179.97 178.83 3mao n SER 35 N -2.57 1.42 -4.82 7.04 7.64 -0.40 -4.97 113.62 116.97 3mao n SER 35 Ca 0.02 -1.13 -0.35 0.00 1.01 0.00 0.00 58.87 58.42 3mao n SER 35 Cb 0.27 0.43 -0.06 0.00 -1.01 0.00 0.00 64.21 63.84 3mao n SER 35 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3mao s LYS 36 N -2.61 4.27 0.11 1.43 2.20 -0.96 -0.99 119.74 123.19 3mao s LYS 36 Ca 0.18 0.97 -0.11 0.00 -0.36 0.00 0.00 55.97 56.65 3mao s LYS 36 Cb 0.18 -2.63 0.01 0.00 -1.51 0.00 0.00 37.83 33.88 3mao s LYS 36 CO 0.61 0.24 0.27 1.52 -0.36 0.00 0.00 175.35 177.63 3mao s TYR 37 N -1.77 0.06 0.12 4.03 -0.85 -0.63 -4.98 117.35 113.33 3mao s TYR 37 Ca 0.51 -0.44 -0.29 0.00 -0.52 0.00 0.00 57.07 56.32 3mao s TYR 37 Cb -0.14 0.05 -0.06 0.00 0.38 0.00 0.00 41.96 42.19 3mao s TYR 37 CO 0.19 -0.62 0.93 0.00 -1.52 0.00 0.00 175.55 174.54 3mao s ALA 38 N -3.85 3.27 0.06 9.51 0.00 -1.26 -4.37 121.76 125.12 3mao s ALA 38 Ca 0.05 0.55 -0.04 0.00 0.00 0.00 0.00 51.96 52.53 3mao s ALA 38 Cb 0.04 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 3mao s ALA 38 CO -0.10 0.02 0.04 -1.58 0.00 0.00 0.00 175.76 174.14 3mao s HIS 39 N -0.17 0.38 -0.59 0.00 2.46 -1.26 -5.06 115.29 111.05 3mao s HIS 39 Ca 0.45 -0.87 0.25 0.00 0.47 0.00 0.00 55.06 55.36 3mao s HIS 39 Cb -0.23 -0.27 0.59 0.00 -0.13 0.00 0.00 32.58 32.53 3mao s HIS 39 CO 0.29 -0.42 1.70 0.66 -2.47 0.00 0.00 174.74 174.50 3mao h SER 40 N 3.12 0.00 -4.30 9.88 4.64 -1.96 -3.47 113.55 121.47 3mao h SER 40 Ca -0.34 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.47 3mao h SER 40 Cb 1.16 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 63.40 3mao h SER 40 CO 0.61 0.00 0.30 -0.55 -0.87 0.00 0.00 176.83 176.32 3mao s SER 41 N -5.34 4.18 0.01 4.97 0.15 -1.26 -4.93 113.70 111.47 3mao s SER 41 Ca 0.09 1.92 0.10 0.00 0.70 0.00 0.00 55.95 58.76 3mao s SER 41 Cb 0.09 -2.53 0.42 0.00 -1.71 0.00 0.00 66.02 62.28 3mao s SER 41 CO 0.63 -2.25 1.31 -2.65 1.20 0.00 0.00 173.24 171.48 3mao n PRO 42 N -3.61 0.00 -4.49 5.44 -0.02 -1.26 -4.81 135.00 126.25 3mao n PRO 42 Ca 0.10 0.34 -0.32 0.00 -2.02 0.00 0.00 63.50 61.60 3mao n PRO 42 Cb 0.53 -1.51 -0.11 0.00 -0.02 0.00 0.00 33.50 32.39 3mao n PRO 42 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3mao s TRP 43 N -3.01 2.83 0.36 6.00 0.51 -1.26 -4.54 118.94 119.84 3mao s TRP 43 Ca 0.05 -0.08 -0.27 0.00 -2.12 0.00 0.00 56.10 53.68 3mao s TRP 43 Cb 0.06 -1.58 -0.12 0.00 -0.81 0.00 0.00 33.47 31.02 3mao s TRP 43 CO 0.18 0.35 1.19 -0.35 -0.51 0.00 0.00 176.95 177.81 3mao n PRO 44 N 1.54 1.81 -5.22 4.98 -0.04 -1.25 -4.75 135.00 132.08 3mao n PRO 44 Ca -0.15 0.64 -0.32 0.00 -0.04 0.00 0.00 63.50 63.63 3mao n PRO 44 Cb 0.52 -2.21 -0.17 0.00 -0.04 0.00 0.00 33.50 31.61 3mao n PRO 44 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mao s ALA 45 N -1.14 2.16 0.07 0.55 0.00 -1.26 -2.04 121.76 120.10 3mao s ALA 45 Ca 0.58 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.60 3mao s ALA 45 Cb -0.58 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 3mao s ALA 45 CO 0.60 0.29 -0.08 -0.06 0.00 0.00 0.00 175.76 176.51 3mao s PHE 46 N 0.32 0.85 -0.14 0.00 0.08 -0.44 -1.61 117.98 117.05 3mao s PHE 46 Ca -0.18 -0.64 0.22 0.00 0.12 0.00 0.00 56.93 56.44 3mao s PHE 46 Cb -0.18 -0.49 -0.24 0.00 -0.57 0.00 0.00 43.02 41.54 3mao s PHE 46 CO 0.09 -0.07 0.65 0.25 -0.10 0.00 0.00 175.22 176.03 3mao n THR 47 N 0.84 0.15 -3.49 0.64 -2.24 -0.16 -0.40 114.28 109.62 3mao n THR 47 Ca -0.18 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 61.01 3mao n THR 47 Cb 0.57 -0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.75 3mao n THR 47 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3mao s GLU 48 N -3.45 1.24 0.41 -0.78 -1.05 -1.26 -4.44 118.70 109.37 3mao s GLU 48 Ca -0.05 -0.50 0.04 0.00 -0.15 0.00 0.00 54.97 54.31 3mao s GLU 48 Cb 0.13 0.54 0.00 0.00 -0.44 0.00 0.00 34.13 34.37 3mao s GLU 48 CO 0.88 -0.55 0.59 0.95 0.95 0.00 0.00 175.26 178.08 3mao s THR 49 N -3.63 3.76 -0.06 1.83 -4.23 -1.26 -4.62 115.64 107.43 3mao s THR 49 Ca 0.03 -0.77 -0.27 0.00 -1.18 0.00 0.00 61.69 59.51 3mao s THR 49 Cb -0.02 -3.34 -0.22 0.00 1.34 0.00 0.00 72.50 70.27 3mao s THR 49 CO -0.10 -0.19 1.10 0.40 -0.54 0.00 0.00 174.62 175.30 3mao h ILE 50 N 0.58 1.48 -2.75 2.99 2.04 -1.34 -3.46 117.51 117.06 3mao h ILE 50 Ca -0.45 -1.50 -0.59 0.00 1.00 0.00 0.00 64.86 63.32 3mao h ILE 50 Cb 1.26 2.50 -0.11 0.00 -0.74 0.00 0.00 36.82 39.73 3mao h ILE 50 CO 0.54 0.39 -0.65 -1.00 0.00 0.00 0.00 178.15 177.42 3mao s HIS 51 N -3.60 2.84 0.46 1.37 3.76 -1.26 -5.02 115.29 113.83 3mao s HIS 51 Ca -0.17 -0.15 0.13 0.00 -0.15 0.00 0.00 55.06 54.73 3mao s HIS 51 Cb 0.00 -1.35 1.05 0.00 1.11 0.00 0.00 32.58 33.39 3mao s HIS 51 CO 0.67 0.53 2.05 0.00 -0.85 0.00 0.00 174.74 177.15 3mao h ALA 52 N 2.53 1.79 -0.50 -1.40 0.00 -1.98 -2.21 119.26 117.49 3mao h ALA 52 Ca -0.47 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3mao h ALA 52 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3mao h ALA 52 CO 0.58 0.16 0.00 -0.40 0.00 0.00 0.00 179.25 179.60 3mao n ASP 53 N -4.43 5.11 -0.28 0.00 3.85 -1.26 -4.58 116.55 114.96 3mao n ASP 53 Ca -0.01 -2.89 -0.01 0.00 -0.71 0.00 0.00 54.79 51.16 3mao n ASP 53 Cb 0.15 -0.63 0.11 0.00 -1.35 0.00 0.00 41.12 39.40 3mao n ASP 53 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 3mao h SER 54 N 3.40 0.77 -3.99 -1.12 0.02 -1.69 -3.35 113.55 107.58 3mao h SER 54 Ca 0.00 0.01 -0.65 0.00 -0.84 0.00 0.00 61.79 60.31 3mao h SER 54 Cb 1.77 -0.15 -0.22 0.00 0.14 0.00 0.00 62.40 63.93 3mao h SER 54 CO 0.39 0.51 -0.86 0.68 -1.14 0.00 0.00 176.83 176.41 3mao s VAL 55 N -6.09 2.11 -0.04 2.27 -7.23 -1.26 -0.40 120.40 109.75 3mao s VAL 55 Ca -0.13 -1.69 -0.02 0.00 -1.81 0.00 0.00 61.98 58.33 3mao s VAL 55 Cb 0.17 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 3mao s VAL 55 CO 0.78 0.05 0.10 0.00 -0.31 0.00 0.00 175.10 175.73 3mao s ALA 56 N -1.08 3.69 0.10 1.32 0.00 0.56 -4.62 121.76 121.72 3mao s ALA 56 Ca 0.12 -0.79 0.10 0.00 0.00 0.00 0.00 51.96 51.38 3mao s ALA 56 Cb -0.10 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 3mao s ALA 56 CO 0.05 0.68 -0.24 0.15 0.00 0.00 0.00 175.76 176.40 3mao s LYS 57 N -1.53 1.64 0.03 0.00 1.02 -1.26 -1.07 119.74 118.56 3mao s LYS 57 Ca 0.21 -1.22 -0.02 0.00 0.02 0.00 0.00 55.97 54.96 3mao s LYS 57 Cb -0.12 -1.99 -0.02 0.00 -0.52 0.00 0.00 37.83 35.18 3mao s LYS 57 CO 0.12 0.48 0.00 1.03 -0.92 0.00 0.00 175.35 176.06 3mao s ARG 58 N -1.80 0.44 0.49 1.68 0.52 -0.30 -5.00 118.95 114.99 3mao s ARG 58 Ca 0.14 -0.77 -0.24 0.00 -0.52 0.00 0.00 55.73 54.34 3mao s ARG 58 Cb -0.10 0.16 -0.07 0.00 0.52 0.00 0.00 34.95 35.46 3mao s ARG 58 CO 0.06 -0.09 1.38 -0.35 0.02 0.00 0.00 175.30 176.32 3mao n PRO 59 N 1.08 2.00 -3.46 3.54 -0.04 -1.26 -0.59 135.00 136.27 3mao n PRO 59 Ca -0.21 0.72 -0.43 0.00 -0.04 0.00 0.00 63.50 63.54 3mao n PRO 59 Cb 0.57 -2.58 -0.06 0.00 -0.04 0.00 0.00 33.50 31.39 3mao n PRO 59 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3mao s GLU 60 N -2.58 2.84 0.49 0.54 2.56 -1.15 -4.42 118.70 116.98 3mao s GLU 60 Ca 0.65 -1.95 0.27 0.00 0.00 0.00 0.00 54.97 53.94 3mao s GLU 60 Cb -0.44 -4.11 1.24 0.00 2.00 0.00 0.00 34.13 32.82 3mao s GLU 60 CO 0.54 -1.25 1.97 0.45 -0.56 0.00 0.00 175.26 176.41 3mao h HIS 61 N 8.32 0.00 -0.69 5.30 3.86 -1.93 -2.86 115.15 127.16 3mao h HIS 61 Ca -0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 3mao h HIS 61 Cb 1.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.53 3mao h HIS 61 CO 0.74 0.16 0.00 0.09 0.86 0.00 0.00 177.93 179.78 3mao n ASN 62 N -3.49 3.88 -3.73 2.45 3.02 -1.26 -4.82 115.26 111.30 3mao n ASN 62 Ca -0.01 -2.02 -0.17 0.00 -0.03 0.00 0.00 54.58 52.34 3mao n ASN 62 Cb 0.32 -0.46 -0.17 0.00 -0.61 0.00 0.00 39.78 38.86 3mao n ASN 62 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3mao s ARG 63 N -1.04 -0.02 0.70 3.52 3.52 -1.08 -5.14 118.95 119.40 3mao s ARG 63 Ca 0.46 0.27 -0.15 0.00 -0.13 0.00 0.00 55.73 56.17 3mao s ARG 63 Cb 0.24 -0.39 0.02 0.00 -1.56 0.00 0.00 34.95 33.26 3mao s ARG 63 CO 0.31 -0.24 1.19 -1.54 -0.81 0.00 0.00 175.30 174.21 3mao s SER 64 N 1.57 4.47 -1.50 -2.12 1.04 -1.26 -3.50 113.70 112.41 3mao s SER 64 Ca -0.03 2.29 -0.11 0.00 0.48 0.00 0.00 55.95 58.59 3mao s SER 64 Cb -0.13 -2.58 0.07 0.00 0.10 0.00 0.00 66.02 63.48 3mao s SER 64 CO -0.03 -2.07 0.90 -0.62 0.98 0.00 0.00 173.24 172.40 3mao n GLU 65 N -2.54 -5.22 -3.71 4.02 1.02 -1.26 -4.94 120.64 108.02 3mao n GLU 65 Ca 0.13 0.58 -0.12 0.00 -0.02 0.00 0.00 57.16 57.73 3mao n GLU 65 Cb 0.50 -5.38 -0.10 0.00 -0.02 0.00 0.00 31.44 26.45 3mao n GLU 65 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mao s ALA 66 N -3.39 -1.11 0.16 0.62 0.00 -1.23 -1.06 121.76 115.75 3mao s ALA 66 Ca 0.52 1.43 0.10 0.00 0.00 0.00 0.00 51.96 54.01 3mao s ALA 66 Cb -0.26 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 3mao s ALA 66 CO 0.83 -0.24 -0.21 -0.51 0.00 0.00 0.00 175.76 175.63 3mao s LEU 67 N 0.83 2.40 0.20 0.00 1.43 -0.27 -2.92 118.68 120.35 3mao s LEU 67 Ca -0.05 -0.82 -0.20 0.00 -1.03 0.00 0.00 54.13 52.02 3mao s LEU 67 Cb -0.06 -0.99 -0.08 0.00 0.03 0.00 0.00 46.19 45.09 3mao s LEU 67 CO -0.06 0.05 0.72 -0.54 0.23 0.00 0.00 176.35 176.75 3mao s LYS 68 N -2.54 4.29 -0.01 1.70 1.02 0.24 -0.73 119.74 123.73 3mao s LYS 68 Ca 0.16 0.90 0.05 0.00 0.02 0.00 0.00 55.97 57.10 3mao s LYS 68 Cb -0.08 -2.97 -0.01 0.00 -0.52 0.00 0.00 37.83 34.25 3mao s LYS 68 CO 0.07 0.44 -0.17 0.14 -0.92 0.00 0.00 175.35 174.91 3mao s VAL 69 N -1.43 1.37 0.20 3.17 -7.23 -0.35 -1.15 120.40 114.98 3mao s VAL 69 Ca 0.41 -0.78 0.02 0.00 -1.81 0.00 0.00 61.98 59.82 3mao s VAL 69 Cb -0.18 -1.15 -0.05 0.00 0.56 0.00 0.00 36.38 35.56 3mao s VAL 69 CO 0.22 0.36 0.02 -0.94 -0.31 0.00 0.00 175.10 174.45 3mao s SER 70 N -0.48 1.29 0.20 4.85 1.04 -0.24 -1.06 113.70 119.30 3mao s SER 70 Ca 0.07 -1.23 -0.31 0.00 0.48 0.00 0.00 55.95 54.95 3mao s SER 70 Cb -0.07 0.12 -0.10 0.00 0.10 0.00 0.00 66.02 66.06 3mao s SER 70 CO -0.00 -0.60 1.55 0.00 0.98 0.00 0.00 173.24 175.16 3mao h GLY 72 N 6.19 0.00 0.04 0.00 0.00 -0.87 -0.35 103.07 108.09 3mao h GLY 72 Ca -0.44 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.56 3mao h GLY 72 CO 0.87 0.00 -1.83 1.17 0.00 0.00 0.00 176.54 176.75 3mao n LYS 73 N -2.99 0.59 0.00 4.80 4.81 -1.26 -4.75 118.16 119.36 3mao n LYS 73 Ca 0.01 0.42 0.03 0.00 -0.87 0.00 0.00 58.31 57.90 3mao n LYS 73 Cb 0.28 -1.64 -0.02 0.00 0.02 0.00 0.00 35.03 33.67 3mao n LYS 73 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3mao n GLY 75 N 0.98 0.90 3.76 0.00 0.00 -0.14 -4.97 105.19 105.71 3mao n GLY 75 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3mao n GLY 75 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3mao s ASN 76 N -2.87 6.40 0.24 1.61 2.47 -1.26 -4.45 114.94 117.07 3mao s ASN 76 Ca 0.00 2.94 -0.30 0.00 0.42 0.00 0.00 52.86 55.93 3mao s ASN 76 Cb 0.00 -2.64 -0.09 0.00 -1.45 0.00 0.00 41.25 37.06 3mao s ASN 76 CO 0.00 -0.88 1.34 -0.83 -3.72 0.00 0.00 177.10 173.01 3mao s GLY 77 N 0.32 2.53 -0.10 1.21 0.00 -1.26 -0.39 107.32 109.63 3mao s GLY 77 Ca 0.60 1.19 0.02 0.00 0.00 0.00 0.00 44.72 46.53 3mao s GLY 77 CO 0.51 2.08 -0.07 1.04 0.00 0.00 0.00 173.10 176.67 3mao n LEU 78 N 2.20 2.38 0.00 0.66 4.77 -0.22 -4.79 117.00 122.00 3mao n LEU 78 Ca 0.05 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3mao n LEU 78 Cb 0.42 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3mao n LEU 78 CO 0.59 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.84 3mao n GLY 79 N 2.89 0.19 3.08 -0.72 0.00 -1.06 -1.10 105.19 108.47 3mao n GLY 79 Ca -0.18 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 3mao n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3mao s HIS 80 N -0.86 0.66 -0.25 1.61 3.76 -0.45 -1.22 115.29 118.54 3mao s HIS 80 Ca 0.00 -0.69 -0.04 0.00 -0.15 0.00 0.00 55.06 54.18 3mao s HIS 80 Cb 0.00 -0.40 0.01 0.00 1.11 0.00 0.00 32.58 33.30 3mao s HIS 80 CO 0.00 -0.15 -0.01 -2.00 -0.85 0.00 0.00 174.74 171.73 3mao s GLU 81 N -2.47 3.10 -0.39 1.40 2.12 0.09 -0.79 118.70 121.76 3mao s GLU 81 Ca -0.03 -0.82 -0.17 0.00 0.36 0.00 0.00 54.97 54.31 3mao s GLU 81 Cb -0.04 -3.12 0.01 0.00 0.26 0.00 0.00 34.13 31.25 3mao s GLU 81 CO -0.02 -0.35 0.45 -0.06 -0.54 0.00 0.00 175.26 174.74 3mao s PHE 82 N 1.43 3.17 0.14 5.30 0.08 0.61 -1.12 117.98 127.59 3mao s PHE 82 Ca 0.03 -0.19 -0.30 0.00 0.12 0.00 0.00 56.93 56.59 3mao s PHE 82 Cb -0.16 -2.89 -0.08 0.00 -0.57 0.00 0.00 43.02 39.32 3mao s PHE 82 CO -0.02 -0.63 1.27 -0.51 -0.10 0.00 0.00 175.22 175.23 3mao s LEU 83 N 2.21 4.40 -1.57 -0.37 1.43 -0.22 -1.08 118.68 123.48 3mao s LEU 83 Ca 0.14 2.25 -0.00 0.00 -1.03 0.00 0.00 54.13 55.49 3mao s LEU 83 Cb -0.16 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.46 3mao s LEU 83 CO 0.14 -0.50 0.02 0.59 0.23 0.00 0.00 176.35 176.83 3mao n ASN 84 N 3.22 -5.37 0.00 2.29 3.02 -1.08 -4.84 115.26 112.49 3mao n ASN 84 Ca 0.08 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 3mao n ASN 84 Cb 0.44 -4.42 0.00 0.00 -0.61 0.00 0.00 39.78 35.19 3mao n ASN 84 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3mao n ASP 85 N -1.55 1.71 -2.91 6.41 2.03 -0.64 -4.74 116.55 116.87 3mao n ASP 85 Ca -0.21 -1.73 -0.14 0.00 0.52 0.00 0.00 54.79 53.23 3mao n ASP 85 Cb 0.66 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 41.16 3mao n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3mao n GLY 86 N -0.36 -1.24 0.17 0.27 0.00 0.36 -4.49 105.19 99.89 3mao n GLY 86 Ca 0.00 -1.70 0.03 0.00 0.00 0.00 0.00 46.02 44.35 3mao n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mao h PRO 87 N 0.00 0.00 -6.46 1.61 0.13 -1.85 -3.43 132.00 121.99 3mao h PRO 87 Ca -0.20 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.30 3mao h PRO 87 Cb 0.56 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.54 3mao h PRO 87 CO 0.14 0.47 -0.74 0.15 -0.23 0.00 0.00 178.00 177.79 3mao s LYS 88 N -3.55 1.95 0.20 0.86 -0.14 -1.26 -5.08 119.74 112.72 3mao s LYS 88 Ca -0.00 -1.34 -0.32 0.00 -1.36 0.00 0.00 55.97 52.95 3mao s LYS 88 Cb 0.11 -2.09 -0.14 0.00 -1.68 0.00 0.00 37.83 34.04 3mao s LYS 88 CO 0.71 0.42 1.39 -2.30 -0.76 0.00 0.00 175.35 174.82 3mao n PRO 89 N 0.03 1.84 0.00 -1.68 -0.02 -1.26 -1.46 135.00 132.45 3mao n PRO 89 Ca -0.11 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3mao n PRO 89 Cb 0.56 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3mao n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mao n GLY 90 N 2.40 2.65 3.82 -1.23 0.00 -1.26 -5.02 105.19 106.54 3mao n GLY 90 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 3mao n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mao s GLN 91 N -0.13 3.73 0.41 1.61 -0.21 -0.53 -4.38 119.66 120.16 3mao s GLN 91 Ca 0.00 1.15 -0.07 0.00 0.02 0.00 0.00 55.36 56.46 3mao s GLN 91 Cb 0.00 -2.10 -0.05 0.00 1.00 0.00 0.00 33.01 31.86 3mao s GLN 91 CO 0.00 -0.46 0.73 -1.12 -2.12 0.00 0.00 175.29 172.31 3mao s SER 92 N -2.63 6.40 -0.35 5.90 0.01 -1.26 -0.49 113.70 121.28 3mao s SER 92 Ca 0.63 0.95 -0.07 0.00 1.31 0.00 0.00 55.95 58.77 3mao s SER 92 Cb -0.13 -2.25 0.05 0.00 0.21 0.00 0.00 66.02 63.89 3mao s SER 92 CO 0.28 -0.43 0.13 -0.60 0.41 0.00 0.00 173.24 173.04 3mao s ARG 93 N -4.16 2.60 -0.35 12.44 3.52 -0.24 -3.97 118.95 128.79 3mao s ARG 93 Ca 0.48 -1.23 -0.26 0.00 -0.13 0.00 0.00 55.73 54.59 3mao s ARG 93 Cb -0.10 -3.51 0.01 0.00 -1.56 0.00 0.00 34.95 29.79 3mao s ARG 93 CO 0.36 -0.71 0.94 -0.06 -0.81 0.00 0.00 175.30 175.02 3mao s PHE 94 N 1.40 3.11 -0.30 5.12 0.08 0.46 -0.29 117.98 127.57 3mao s PHE 94 Ca -0.01 0.87 -0.03 0.00 0.12 0.00 0.00 56.93 57.88 3mao s PHE 94 Cb -0.20 -3.59 0.04 0.00 -0.57 0.00 0.00 43.02 38.70 3mao s PHE 94 CO 0.03 -0.77 0.03 0.45 -0.10 0.00 0.00 175.22 174.85 3mao s SER 95 N 1.79 4.94 -0.02 1.36 0.15 0.03 -1.33 113.70 120.63 3mao s SER 95 Ca 0.39 -1.13 0.07 0.00 0.70 0.00 0.00 55.95 55.98 3mao s SER 95 Cb -0.12 -1.76 -0.02 0.00 -1.71 0.00 0.00 66.02 62.41 3mao s SER 95 CO 0.17 -0.25 -0.24 -0.63 1.20 0.00 0.00 173.24 173.49 3mao s ILE 96 N 1.32 1.88 0.15 6.45 -1.09 -0.87 -1.34 121.20 127.71 3mao s ILE 96 Ca -0.03 -1.03 -0.31 0.00 -2.23 0.00 0.00 60.65 57.05 3mao s ILE 96 Cb -0.19 -1.56 -0.10 0.00 -1.58 0.00 0.00 42.46 39.03 3mao s ILE 96 CO -0.00 0.52 1.58 -0.36 -1.23 0.00 0.00 174.94 175.45 3mao s PHE 97 N -0.57 2.97 0.36 3.97 0.08 -0.26 -3.80 117.98 120.74 3mao s PHE 97 Ca 0.09 0.59 0.04 0.00 0.12 0.00 0.00 56.93 57.77 3mao s PHE 97 Cb -0.09 -3.93 0.68 0.00 -0.57 0.00 0.00 43.02 39.12 3mao s PHE 97 CO -0.01 -3.46 1.97 0.77 -0.10 0.00 0.00 175.22 174.39 3mao h SER 98 N 7.02 0.58 0.36 1.36 0.02 -1.90 -1.42 113.55 119.56 3mao h SER 98 Ca -0.43 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3mao h SER 98 Cb 1.20 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.60 3mao h SER 98 CO 0.92 0.49 0.00 0.77 -1.14 0.00 0.00 176.83 177.87 3mao h SER 99 N 0.65 0.00 0.23 3.07 4.64 -1.91 -1.69 113.55 118.54 3mao h SER 99 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3mao h SER 99 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3mao h SER 99 CO -0.02 0.00 -0.13 -1.54 -0.87 0.00 0.00 176.83 174.26 3mao n SER 100 N -2.60 0.81 -4.37 4.97 3.41 -0.54 -4.77 113.62 110.53 3mao n SER 100 Ca -0.01 -0.87 -0.28 0.00 -0.26 0.00 0.00 58.87 57.46 3mao n SER 100 Cb 0.14 0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 63.97 3mao n SER 100 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mao s LEU 101 N -2.37 2.33 -0.06 1.04 1.43 -0.64 -1.14 118.68 119.28 3mao s LEU 101 Ca 0.30 -0.75 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 3mao s LEU 101 Cb 0.20 -1.14 -0.00 0.00 0.03 0.00 0.00 46.19 45.28 3mao s LEU 101 CO 0.46 0.15 -0.19 -0.75 0.23 0.00 0.00 176.35 176.24 3mao s LYS 102 N -2.11 2.12 -0.17 1.70 2.36 0.06 -4.60 119.74 119.10 3mao s LYS 102 Ca 0.13 -0.70 -0.18 0.00 -2.55 0.00 0.00 55.97 52.67 3mao s LYS 102 Cb -0.10 -1.78 -0.04 0.00 -1.05 0.00 0.00 37.83 34.87 3mao s LYS 102 CO 0.06 0.25 0.51 0.12 1.55 0.00 0.00 175.35 177.84 3mao s PHE 103 N 0.09 3.43 -0.44 4.03 5.36 -1.26 -0.71 117.98 128.47 3mao s PHE 103 Ca -0.07 0.83 -0.12 0.00 -0.96 0.00 0.00 56.93 56.61 3mao s PHE 103 Cb -0.13 -2.63 0.07 0.00 -0.34 0.00 0.00 43.02 39.99 3mao s PHE 103 CO 0.04 -0.00 0.31 0.08 -1.46 0.00 0.00 175.22 174.18 3mao s VAL 104 N 1.26 4.65 0.28 3.12 1.01 0.46 -4.99 120.40 126.20 3mao s VAL 104 Ca 0.25 -1.23 -0.28 0.00 0.00 0.00 0.00 61.98 60.71 3mao s VAL 104 Cb -0.15 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 3mao s VAL 104 CO 0.10 -0.52 1.00 -2.84 0.00 0.00 0.00 175.10 172.84 3mao s PRO 105 N 1.52 4.68 0.23 2.72 0.02 -1.26 -1.60 135.00 141.30 3mao s PRO 105 Ca 0.03 1.55 -0.32 0.00 0.02 0.00 0.00 61.00 62.29 3mao s PRO 105 Cb -0.23 -3.09 -0.12 0.00 0.02 0.00 0.00 34.50 31.08 3mao s PRO 105 CO 0.04 0.32 1.70 1.17 -0.33 0.00 0.00 177.00 179.91 3mao n LYS 106 N 1.07 2.78 0.00 5.54 3.00 -0.63 -2.37 118.16 127.55 3mao n LYS 106 Ca -0.00 1.00 0.00 0.00 -0.00 0.00 0.00 58.31 59.31 3mao n LYS 106 Cb 0.47 -2.84 0.00 0.00 0.00 0.00 0.00 35.03 32.66 3mao n LYS 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3mao n GLY 107 N 3.59 2.56 1.19 3.14 0.00 -1.26 -4.83 105.19 109.58 3mao n GLY 107 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 3mao n GLY 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mao n LYS 108 N -2.00 0.29 -2.37 1.61 5.02 -1.00 -4.92 118.16 114.79 3mao n LYS 108 Ca 0.00 -2.11 -0.43 0.00 -2.02 0.00 0.00 58.31 53.75 3mao n LYS 108 Cb 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.65 3mao n LYS 108 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3mao n GLU 109 N 0.12 3.19 -2.21 1.97 4.07 -1.25 -4.76 120.64 121.77 3mao n GLU 109 Ca 0.08 -3.22 -0.27 0.00 -0.06 0.00 0.00 57.16 53.69 3mao n GLU 109 Cb 1.01 -3.28 0.06 0.00 -0.06 0.00 0.00 31.44 29.16 3mao n GLU 109 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3mao s THR 110 N 2.94 2.75 0.75 6.31 -4.23 -1.26 -5.03 115.64 117.88 3mao s THR 110 Ca 0.48 -0.11 -0.11 0.00 -1.18 0.00 0.00 61.69 60.77 3mao s THR 110 Cb 0.06 -3.17 0.04 0.00 1.34 0.00 0.00 72.50 70.78 3mao s THR 110 CO 0.01 -0.19 1.08 -0.44 -0.54 0.00 0.00 174.62 174.54 3mao s SER 111 N -4.45 4.76 0.00 3.99 0.01 -1.26 -5.22 113.70 111.54 3mao s SER 111 Ca 0.58 1.68 0.15 0.00 1.31 0.00 0.00 55.95 59.67 3mao s SER 111 Cb -0.11 -2.45 0.88 0.00 0.21 0.00 0.00 66.02 64.55 3mao s SER 111 CO 0.46 -1.85 1.29 0.00 0.41 0.00 0.00 173.24 173.55