#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fhg s GLU 35 N 0.00 3.56 0.21 0.00 0.41 -1.26 -5.11 118.70 116.51 1fhg s GLU 35 Ca 0.00 -0.22 0.11 0.00 -0.41 0.00 0.00 54.97 54.45 1fhg s GLU 35 Cb 0.00 -2.88 -0.04 0.00 -1.78 0.00 0.00 34.13 29.43 1fhg s GLU 35 CO 0.00 0.47 -0.16 -1.21 -0.49 0.00 0.00 175.26 173.87 1fhg s GLU 36 N -2.82 1.79 0.69 1.61 2.02 -1.26 -5.12 118.70 115.61 1fhg s GLU 36 Ca 0.39 -1.48 -0.16 0.00 0.02 0.00 0.00 54.97 53.74 1fhg s GLU 36 Cb -0.12 -1.96 0.02 0.00 0.10 0.00 0.00 34.13 32.17 1fhg s GLU 36 CO 0.26 0.39 1.21 0.15 0.02 0.00 0.00 175.26 177.30 1fhg s LYS 37 N -2.98 2.38 0.43 1.61 1.02 -1.26 -4.99 119.74 115.95 1fhg s LYS 37 Ca 0.25 1.79 -0.21 0.00 0.02 0.00 0.00 55.97 57.82 1fhg s LYS 37 Cb -0.07 -1.86 -0.11 0.00 -0.52 0.00 0.00 37.83 35.27 1fhg s LYS 37 CO 0.13 -1.66 0.96 -1.25 -0.92 0.00 0.00 175.35 172.61 1fhg s PRO 38 N -3.75 4.20 -0.13 -1.68 0.04 -1.26 -5.00 135.00 127.42 1fhg s PRO 38 Ca 0.76 1.14 -0.29 0.00 0.04 0.00 0.00 61.00 62.64 1fhg s PRO 38 Cb -0.30 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.05 1fhg s PRO 38 CO 0.42 -0.06 1.08 -1.01 0.04 0.00 0.00 177.00 177.47 1fhg s HIS 39 N -2.16 3.34 -0.04 0.56 3.76 -1.26 -4.54 115.29 114.95 1fhg s HIS 39 Ca 0.62 1.43 -0.03 0.00 -0.15 0.00 0.00 55.06 56.94 1fhg s HIS 39 Cb -0.10 -3.29 0.02 0.00 1.11 0.00 0.00 32.58 30.32 1fhg s HIS 39 CO 0.14 -0.65 0.09 0.54 -0.85 0.00 0.00 174.74 174.01 1fhg s VAL 40 N 2.46 -0.02 0.75 -0.90 0.11 0.40 -4.95 120.40 118.25 1fhg s VAL 40 Ca 0.50 0.06 -0.13 0.00 -2.93 0.00 0.00 61.98 59.47 1fhg s VAL 40 Cb -0.19 -0.15 0.05 0.00 -1.53 0.00 0.00 36.38 34.56 1fhg s VAL 40 CO 0.16 0.02 1.14 -1.59 -3.33 0.00 0.00 175.10 171.51 1fhg s LYS 41 N 0.37 2.18 0.66 1.54 -2.85 -1.26 -1.53 119.74 118.85 1fhg s LYS 41 Ca -0.03 1.50 -0.17 0.00 -1.00 0.00 0.00 55.97 56.27 1fhg s LYS 41 Cb -0.04 -1.86 0.00 0.00 -2.06 0.00 0.00 37.83 33.87 1fhg s LYS 41 CO -0.01 -1.75 1.24 -2.14 0.10 0.00 0.00 175.35 172.79 1fhg s PRO 42 N -4.27 2.51 -0.15 1.78 0.02 -1.26 -4.59 135.00 129.04 1fhg s PRO 42 Ca 0.68 1.89 -0.28 0.00 0.02 0.00 0.00 61.00 63.31 1fhg s PRO 42 Cb -0.23 -1.86 0.07 0.00 0.02 0.00 0.00 34.50 32.50 1fhg s PRO 42 CO 0.48 -1.58 0.70 1.52 -0.33 0.00 0.00 177.00 177.79 1fhg s TYR 43 N -1.67 -0.71 -0.07 6.54 1.13 -0.78 -4.53 117.35 117.26 1fhg s TYR 43 Ca 0.78 1.47 -0.15 0.00 -1.41 0.00 0.00 57.07 57.76 1fhg s TYR 43 Cb -0.33 0.35 -0.05 0.00 -1.10 0.00 0.00 41.96 40.83 1fhg s TYR 43 CO 0.40 -0.50 0.38 -0.06 -2.51 0.00 0.00 175.55 173.25 1fhg s PHE 44 N -0.50 3.62 -0.71 -3.49 0.08 -1.26 -0.87 117.98 114.85 1fhg s PHE 44 Ca -0.06 0.86 0.21 0.00 0.12 0.00 0.00 56.93 58.06 1fhg s PHE 44 Cb -0.02 -2.33 -0.26 0.00 -0.57 0.00 0.00 43.02 39.84 1fhg s PHE 44 CO 0.06 0.47 0.77 0.25 -0.10 0.00 0.00 175.22 176.67 1fhg n THR 45 N 2.57 0.00 -3.72 0.64 -2.24 -0.36 -4.84 114.28 106.32 1fhg n THR 45 Ca -0.13 -0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 1fhg n THR 45 Cb 0.52 0.72 -0.13 0.00 -2.10 0.00 0.00 70.33 69.34 1fhg n THR 45 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1fhg s LYS 46 N -3.12 0.17 0.27 -0.78 2.20 -1.22 -4.95 119.74 112.31 1fhg s LYS 46 Ca 0.03 0.52 0.10 0.00 -0.36 0.00 0.00 55.97 56.26 1fhg s LYS 46 Cb 0.15 -0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.30 1fhg s LYS 46 CO 0.87 -0.18 -0.01 0.95 -0.36 0.00 0.00 175.35 176.62 1fhg s THR 47 N 1.38 3.41 0.55 3.43 -4.23 -1.26 -1.28 115.64 117.64 1fhg s THR 47 Ca -0.08 -1.93 -0.19 0.00 -1.18 0.00 0.00 61.69 58.30 1fhg s THR 47 Cb -0.11 -2.82 -0.06 0.00 1.34 0.00 0.00 72.50 70.85 1fhg s THR 47 CO -0.08 -0.38 1.14 0.27 -0.54 0.00 0.00 174.62 175.03 1fhg s ILE 48 N -2.33 3.12 0.01 2.99 -4.36 -1.24 -4.74 121.20 114.64 1fhg s ILE 48 Ca 0.31 0.69 0.07 0.00 -0.26 0.00 0.00 60.65 61.46 1fhg s ILE 48 Cb -0.06 -3.28 -0.03 0.00 1.25 0.00 0.00 42.46 40.34 1fhg s ILE 48 CO 0.20 -0.15 -0.20 -0.76 0.24 0.00 0.00 174.94 174.27 1fhg s LEU 49 N -3.84 2.49 0.39 0.37 1.43 -1.26 -4.70 118.68 113.56 1fhg s LEU 49 Ca 0.73 -0.40 -0.26 0.00 -1.03 0.00 0.00 54.13 53.17 1fhg s LEU 49 Cb -0.24 -1.47 -0.11 0.00 0.03 0.00 0.00 46.19 44.40 1fhg s LEU 49 CO 0.28 0.29 1.22 0.47 0.23 0.00 0.00 176.35 178.84 1fhg n ASP 50 N 1.93 2.33 -4.05 2.29 10.43 -1.26 -4.73 116.55 123.49 1fhg n ASP 50 Ca -0.16 1.13 -0.10 0.00 2.57 0.00 0.00 54.79 58.23 1fhg n ASP 50 Cb 0.52 -1.46 -0.11 0.00 1.84 0.00 0.00 41.12 41.91 1fhg n ASP 50 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 1fhg s MET 51 N -2.05 0.50 -0.15 -1.24 -1.94 -0.21 -4.95 119.30 109.27 1fhg s MET 51 Ca 0.60 -0.89 0.01 0.00 -1.71 0.00 0.00 55.69 53.70 1fhg s MET 51 Cb -0.54 -0.00 0.02 0.00 2.01 0.00 0.00 34.83 36.31 1fhg s MET 51 CO 0.59 -0.04 -0.16 -1.21 -0.01 0.00 0.00 175.02 174.20 1fhg s GLU 52 N -2.39 2.45 -0.03 2.03 2.02 -1.26 -1.02 118.70 120.50 1fhg s GLU 52 Ca -0.05 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.35 1fhg s GLU 52 Cb -0.04 -2.18 -0.00 0.00 0.10 0.00 0.00 34.13 32.02 1fhg s GLU 52 CO -0.03 -0.19 -0.13 0.08 0.02 0.00 0.00 175.26 175.01 1fhg s VAL 53 N 1.34 1.07 0.23 2.63 1.01 -0.37 -4.95 120.40 121.35 1fhg s VAL 53 Ca 0.03 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 1fhg s VAL 53 Cb -0.13 -0.93 -0.10 0.00 0.00 0.00 0.00 36.38 35.21 1fhg s VAL 53 CO -0.09 0.32 1.46 -0.69 0.00 0.00 0.00 175.10 176.09 1fhg s VAL 54 N 0.11 2.70 0.23 2.92 1.01 -1.26 -0.25 120.40 125.85 1fhg s VAL 54 Ca -0.03 0.56 -0.31 0.00 0.00 0.00 0.00 61.98 62.20 1fhg s VAL 54 Cb -0.10 -3.36 -0.14 0.00 0.00 0.00 0.00 36.38 32.78 1fhg s VAL 54 CO 0.01 0.08 1.34 1.21 0.00 0.00 0.00 175.10 177.74 1fhg n GLU 55 N 2.71 1.83 0.00 2.72 2.13 -0.29 -1.91 120.64 127.83 1fhg n GLU 55 Ca 0.08 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.55 1fhg n GLU 55 Cb 0.40 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 29.85 1fhg n GLU 55 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1fhg n GLY 56 N 2.07 2.82 3.94 8.31 0.00 0.72 -4.96 105.19 118.09 1fhg n GLY 56 Ca 0.12 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 1fhg n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fhg s SER 57 N 0.68 4.78 0.38 1.61 1.04 -0.80 -4.21 113.70 117.18 1fhg s SER 57 Ca 0.00 0.29 -0.17 0.00 0.48 0.00 0.00 55.95 56.55 1fhg s SER 57 Cb 0.00 -0.93 -0.10 0.00 0.10 0.00 0.00 66.02 65.09 1fhg s SER 57 CO 0.00 -1.59 0.83 0.00 0.98 0.00 0.00 173.24 173.47 1fhg s ALA 58 N -3.18 3.20 0.04 5.32 0.00 -1.23 -1.17 121.76 124.74 1fhg s ALA 58 Ca 0.61 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.77 1fhg s ALA 58 Cb -0.10 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 1fhg s ALA 58 CO 0.44 0.21 -0.09 0.00 0.00 0.00 0.00 175.76 176.32 1fhg s ALA 59 N -2.12 0.66 -0.03 0.00 0.00 0.17 -4.95 121.76 115.50 1fhg s ALA 59 Ca 0.57 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.83 1fhg s ALA 59 Cb -0.10 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.02 1fhg s ALA 59 CO 0.17 0.05 0.06 0.50 0.00 0.00 0.00 175.76 176.54 1fhg s ARG 60 N -1.27 0.02 -0.09 0.00 3.52 -1.26 0.47 118.95 120.35 1fhg s ARG 60 Ca -0.06 0.17 0.01 0.00 -0.13 0.00 0.00 55.73 55.72 1fhg s ARG 60 Cb -0.08 -0.12 -0.03 0.00 -1.56 0.00 0.00 34.95 33.16 1fhg s ARG 60 CO 0.01 -0.10 -0.09 -0.06 -0.81 0.00 0.00 175.30 174.24 1fhg s PHE 61 N 0.66 2.87 -0.01 5.12 0.08 0.05 -4.97 117.98 121.78 1fhg s PHE 61 Ca -0.05 -0.18 -0.09 0.00 0.12 0.00 0.00 56.93 56.73 1fhg s PHE 61 Cb -0.07 -1.75 0.01 0.00 -0.57 0.00 0.00 43.02 40.63 1fhg s PHE 61 CO -0.02 0.15 0.18 0.16 -0.10 0.00 0.00 175.22 175.59 1fhg s ASP 62 N -0.42 -0.04 0.33 1.36 1.47 -1.26 -0.83 116.67 117.28 1fhg s ASP 62 Ca 0.06 -0.10 -0.08 0.00 1.18 0.00 0.00 52.55 53.61 1fhg s ASP 62 Cb -0.12 0.25 0.01 0.00 -0.34 0.00 0.00 42.92 42.72 1fhg s ASP 62 CO 0.02 -0.36 0.55 0.00 0.68 0.00 0.00 175.17 176.07 1fhg s LYS 64 N -3.07 0.40 0.10 0.00 2.20 -0.40 -0.34 119.74 118.62 1fhg s LYS 64 Ca 0.25 0.06 0.07 0.00 -0.36 0.00 0.00 55.97 55.99 1fhg s LYS 64 Cb -0.02 -0.59 -0.04 0.00 -1.51 0.00 0.00 37.83 35.67 1fhg s LYS 64 CO 0.16 -0.15 -0.11 0.54 -0.36 0.00 0.00 175.35 175.43 1fhg s VAL 65 N 1.15 3.31 0.21 4.02 0.11 0.22 -1.22 120.40 128.20 1fhg s VAL 65 Ca -0.08 -1.26 0.06 0.00 -2.93 0.00 0.00 61.98 57.77 1fhg s VAL 65 Cb -0.13 -2.53 -0.05 0.00 -1.53 0.00 0.00 36.38 32.13 1fhg s VAL 65 CO -0.02 0.14 -0.09 -1.61 -3.33 0.00 0.00 175.10 170.19 1fhg s GLU 66 N -2.12 1.31 0.00 1.54 0.41 -0.04 -4.42 118.70 115.38 1fhg s GLU 66 Ca 0.21 -1.61 0.00 0.00 -0.41 0.00 0.00 54.97 53.15 1fhg s GLU 66 Cb -0.11 -0.91 0.00 0.00 -1.78 0.00 0.00 34.13 31.33 1fhg s GLU 66 CO 0.13 0.08 0.00 0.41 -0.49 0.00 0.00 175.26 175.38 1fhg n GLY 67 N -0.38 4.41 3.06 -1.39 0.00 -1.26 -1.87 105.19 107.75 1fhg n GLY 67 Ca -0.07 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 1fhg n GLY 67 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1fhg s TYR 68 N -2.00 -0.39 0.75 1.61 5.04 -0.58 -3.51 117.35 118.27 1fhg s TYR 68 Ca 0.00 0.89 -0.16 0.00 -2.44 0.00 0.00 57.07 55.37 1fhg s TYR 68 Cb 0.00 0.04 -0.01 0.00 0.35 0.00 0.00 41.96 42.34 1fhg s TYR 68 CO 0.00 -0.28 0.72 -2.30 -1.34 0.00 0.00 175.55 172.34 1fhg n PRO 69 N 4.60 0.31 -1.74 4.97 -0.02 -1.26 -0.45 135.00 141.40 1fhg n PRO 69 Ca -0.19 0.15 -0.40 0.00 -2.02 0.00 0.00 63.50 61.04 1fhg n PRO 69 Cb 0.52 -2.01 0.01 0.00 -0.02 0.00 0.00 33.50 32.01 1fhg n PRO 69 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1fhg n ASP 70 N -1.07 3.11 -4.88 2.55 9.92 -1.23 -4.79 116.55 120.16 1fhg n ASP 70 Ca 0.11 1.13 -0.30 0.00 -0.53 0.00 0.00 54.79 55.20 1fhg n ASP 70 Cb 0.50 -1.57 0.03 0.00 -0.64 0.00 0.00 41.12 39.44 1fhg n ASP 70 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1fhg s PRO 71 N -2.33 3.08 -0.10 -0.24 0.04 -1.26 -4.84 135.00 129.34 1fhg s PRO 71 Ca 0.60 0.50 -0.07 0.00 0.04 0.00 0.00 61.00 62.08 1fhg s PRO 71 Cb -0.47 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1fhg s PRO 71 CO 0.58 -0.87 0.15 -1.21 0.04 0.00 0.00 177.00 175.70 1fhg s GLU 72 N -5.27 3.45 0.06 4.56 2.02 -0.33 -4.85 118.70 118.33 1fhg s GLU 72 Ca 0.57 -0.15 0.09 0.00 0.02 0.00 0.00 54.97 55.51 1fhg s GLU 72 Cb -0.11 -3.18 -0.03 0.00 0.10 0.00 0.00 34.13 30.92 1fhg s GLU 72 CO 0.52 0.76 -0.26 0.08 0.02 0.00 0.00 175.26 176.37 1fhg s VAL 73 N -1.08 2.14 0.01 2.63 1.01 -1.26 -1.45 120.40 122.40 1fhg s VAL 73 Ca 0.17 -1.44 -0.07 0.00 0.00 0.00 0.00 61.98 60.64 1fhg s VAL 73 Cb -0.12 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 1fhg s VAL 73 CO 0.07 0.32 0.13 0.00 0.00 0.00 0.00 175.10 175.62 1fhg s MET 74 N -1.35 0.52 0.11 2.72 0.23 -0.61 -5.00 119.30 115.90 1fhg s MET 74 Ca 0.12 -0.49 0.08 0.00 -1.03 0.00 0.00 55.69 54.37 1fhg s MET 74 Cb -0.10 0.21 -0.04 0.00 -1.53 0.00 0.00 34.83 33.37 1fhg s MET 74 CO 0.03 -0.13 -0.14 -1.58 -2.03 0.00 0.00 175.02 171.16 1fhg s TRP 75 N -1.70 2.63 0.07 3.16 0.52 -1.26 -1.14 118.94 121.21 1fhg s TRP 75 Ca -0.12 -0.21 0.06 0.00 0.02 0.00 0.00 56.10 55.85 1fhg s TRP 75 Cb -0.06 -1.39 -0.03 0.00 -1.15 0.00 0.00 33.47 30.84 1fhg s TRP 75 CO 0.00 0.40 -0.17 -0.06 0.02 0.00 0.00 176.95 177.14 1fhg s PHE 76 N -1.16 1.48 -0.26 -1.98 0.40 0.38 -0.46 117.98 116.39 1fhg s PHE 76 Ca 0.19 -0.41 0.02 0.00 -0.60 0.00 0.00 56.93 56.14 1fhg s PHE 76 Cb -0.11 -0.84 0.05 0.00 0.51 0.00 0.00 43.02 42.63 1fhg s PHE 76 CO 0.11 0.10 -0.10 0.21 0.70 0.00 0.00 175.22 176.24 1fhg s LYS 77 N -1.53 2.38 -1.49 0.44 2.20 0.33 -1.05 119.74 121.02 1fhg s LYS 77 Ca 0.03 -1.26 -0.09 0.00 -0.36 0.00 0.00 55.97 54.29 1fhg s LYS 77 Cb -0.09 -2.90 0.06 0.00 -1.51 0.00 0.00 37.83 33.39 1fhg s LYS 77 CO 0.02 -0.53 0.81 -0.25 -0.36 0.00 0.00 175.35 175.05 1fhg n ASP 78 N 4.49 -3.11 -0.01 1.43 8.00 0.14 -0.78 116.55 126.71 1fhg n ASP 78 Ca -0.15 -0.85 -0.00 0.00 0.71 0.00 0.00 54.79 54.50 1fhg n ASP 78 Cb 0.43 -3.66 -0.00 0.00 -0.02 0.00 0.00 41.12 37.87 1fhg n ASP 78 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1fhg n ASP 79 N -2.88 -4.64 -4.65 -2.24 8.00 -1.26 -5.00 116.55 103.87 1fhg n ASP 79 Ca -0.08 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.07 1fhg n ASP 79 Cb 0.58 -2.15 -0.09 0.00 -0.02 0.00 0.00 41.12 39.43 1fhg n ASP 79 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1fhg s ASN 80 N -2.01 5.63 0.20 -2.24 -0.87 0.04 -5.02 114.94 110.67 1fhg s ASN 80 Ca 0.00 0.11 -0.32 0.00 -1.57 0.00 0.00 52.86 51.08 1fhg s ASN 80 Cb 0.00 -1.92 -0.14 0.00 -0.02 0.00 0.00 41.25 39.17 1fhg s ASN 80 CO 0.00 0.21 1.36 -2.65 -2.57 0.00 0.00 177.10 173.45 1fhg n PRO 81 N 3.27 1.77 -3.28 -0.60 -0.02 -1.26 -0.51 135.00 134.37 1fhg n PRO 81 Ca -0.17 0.63 -0.38 0.00 -2.02 0.00 0.00 63.50 61.56 1fhg n PRO 81 Cb 0.53 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 1fhg n PRO 81 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1fhg s VAL 82 N 0.05 5.17 -0.11 -1.45 1.01 0.39 -4.79 120.40 120.68 1fhg s VAL 82 Ca 0.72 1.01 -0.04 0.00 0.00 0.00 0.00 61.98 63.67 1fhg s VAL 82 Cb -0.72 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 1fhg s VAL 82 CO 0.49 0.31 0.04 -1.59 0.00 0.00 0.00 175.10 174.34 1fhg s LYS 83 N 0.70 3.24 0.30 2.72 0.00 -1.26 -4.71 119.74 120.73 1fhg s LYS 83 Ca 0.27 -0.34 -0.30 0.00 0.00 0.00 0.00 55.97 55.60 1fhg s LYS 83 Cb -0.15 -2.94 -0.12 0.00 0.00 0.00 0.00 37.83 34.62 1fhg s LYS 83 CO 0.11 0.65 1.46 -1.91 0.00 0.00 0.00 175.35 175.65 1fhg n GLU 84 N 2.34 2.38 -2.27 1.78 4.07 -1.26 -4.70 120.64 122.98 1fhg n GLU 84 Ca -0.19 0.84 -0.02 0.00 -0.06 0.00 0.00 57.16 57.73 1fhg n GLU 84 Cb 0.54 -2.54 0.01 0.00 -0.06 0.00 0.00 31.44 29.39 1fhg n GLU 84 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1fhg n SER 85 N 1.56 -0.80 0.02 4.31 3.41 -0.26 -4.94 113.62 116.93 1fhg n SER 85 Ca 0.07 -1.49 -0.03 0.00 -0.26 0.00 0.00 58.87 57.16 1fhg n SER 85 Cb 0.35 1.31 0.20 0.00 -0.26 0.00 0.00 64.21 65.82 1fhg n SER 85 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1fhg h ARG 86 N 0.00 0.47 0.09 4.33 3.08 -2.00 -3.07 114.38 117.28 1fhg h ARG 86 Ca -0.12 -0.18 -0.28 0.00 0.07 0.00 0.00 59.98 59.47 1fhg h ARG 86 Cb 0.49 -0.03 0.02 0.00 0.08 0.00 0.00 29.97 30.53 1fhg h ARG 86 CO 0.16 0.69 -1.17 1.25 -1.07 0.00 0.00 179.97 179.83 1fhg h HIS 87 N 0.42 0.88 -3.54 3.04 2.76 -1.95 -3.42 115.15 113.33 1fhg h HIS 87 Ca 0.06 -0.54 -0.68 0.00 -2.20 0.00 0.00 60.37 57.01 1fhg h HIS 87 Cb 0.67 -0.08 -0.37 0.00 1.55 0.00 0.00 27.41 29.19 1fhg h HIS 87 CO 0.02 1.39 -0.59 -0.06 -1.30 0.00 0.00 177.93 177.39 1fhg s PHE 88 N -3.03 3.61 -0.21 5.26 0.08 -1.16 -2.93 117.98 119.59 1fhg s PHE 88 Ca -0.08 -2.66 -0.13 0.00 0.12 0.00 0.00 56.93 54.18 1fhg s PHE 88 Cb 0.07 -3.12 -0.04 0.00 -0.57 0.00 0.00 43.02 39.35 1fhg s PHE 88 CO 0.91 -0.94 0.29 -1.14 -0.10 0.00 0.00 175.22 174.24 1fhg s GLN 89 N 0.90 4.14 -0.10 0.44 0.74 -0.18 -1.10 119.66 124.50 1fhg s GLN 89 Ca 0.10 -0.00 0.02 0.00 0.05 0.00 0.00 55.36 55.53 1fhg s GLN 89 Cb -0.22 -3.53 -0.01 0.00 1.10 0.00 0.00 33.01 30.35 1fhg s GLN 89 CO -0.05 0.02 -0.16 0.42 -0.55 0.00 0.00 175.29 174.97 1fhg s ILE 90 N 1.15 2.82 0.05 -2.34 1.01 -1.26 -0.25 121.20 122.38 1fhg s ILE 90 Ca 0.14 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 60.07 1fhg s ILE 90 Cb -0.14 -2.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 1fhg s ILE 90 CO 0.06 0.55 -0.13 -1.81 0.00 0.00 0.00 174.94 173.61 1fhg s ASP 91 N 0.10 1.52 -0.27 3.58 1.01 -0.46 -5.00 116.67 117.15 1fhg s ASP 91 Ca -0.07 -0.53 -0.02 0.00 0.71 0.00 0.00 52.55 52.65 1fhg s ASP 91 Cb -0.15 -0.06 0.16 0.00 1.01 0.00 0.00 42.92 43.88 1fhg s ASP 91 CO 0.05 -0.05 0.46 -0.47 0.21 0.00 0.00 175.17 175.38 1fhg s TYR 92 N -1.08 -1.14 0.52 4.23 5.04 -1.25 -1.06 117.35 122.60 1fhg s TYR 92 Ca -0.02 1.12 0.09 0.00 -2.44 0.00 0.00 57.07 55.82 1fhg s TYR 92 Cb -0.09 0.21 0.06 0.00 0.35 0.00 0.00 41.96 42.48 1fhg s TYR 92 CO 0.02 -0.80 0.68 0.16 -1.34 0.00 0.00 175.55 174.27 1fhg s ASP 93 N 2.66 5.25 0.61 4.32 1.47 -0.70 -4.97 116.67 125.31 1fhg s ASP 93 Ca 0.15 -0.73 0.32 0.00 1.18 0.00 0.00 52.55 53.48 1fhg s ASP 93 Cb -0.15 -0.04 1.92 0.00 -0.34 0.00 0.00 42.92 44.31 1fhg s ASP 93 CO -0.19 -1.12 2.26 1.05 0.68 0.00 0.00 175.17 177.86 1fhg h GLU 94 N 0.39 0.00 -0.01 2.11 9.09 -2.03 -0.42 114.58 123.71 1fhg h GLU 94 Ca -0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.07 1fhg h GLU 94 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 1fhg h GLU 94 CO 0.44 0.00 -0.03 -1.91 0.05 0.00 0.00 179.01 177.56 1fhg n GLU 95 N -3.70 1.24 -0.45 1.06 2.13 -1.26 -4.90 120.64 114.77 1fhg n GLU 95 Ca -0.03 -0.49 0.00 0.00 0.66 0.00 0.00 57.16 57.31 1fhg n GLU 95 Cb 0.11 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.33 1fhg n GLU 95 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1fhg n GLY 96 N 1.14 0.76 3.70 8.31 0.00 -0.17 -4.77 105.19 114.16 1fhg n GLY 96 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1fhg n GLY 96 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1fhg s ASN 97 N -2.30 7.03 -0.07 1.61 0.01 -1.26 -0.61 114.94 119.35 1fhg s ASN 97 Ca 0.00 1.99 0.05 0.00 -0.71 0.00 0.00 52.86 54.19 1fhg s ASN 97 Cb 0.00 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.08 1fhg s ASN 97 CO 0.00 -0.55 -0.23 0.00 -1.51 0.00 0.00 177.10 174.82 1fhg s SER 99 N 0.06 0.00 -0.17 0.00 1.04 -0.23 -0.77 113.70 113.64 1fhg s SER 99 Ca -0.09 -0.27 -0.01 0.00 0.48 0.00 0.00 55.95 56.06 1fhg s SER 99 Cb -0.15 0.27 0.05 0.00 0.10 0.00 0.00 66.02 66.29 1fhg s SER 99 CO 0.05 -0.50 -0.02 -0.22 0.98 0.00 0.00 173.24 173.53 1fhg s LEU 100 N -1.83 1.41 -0.14 2.42 2.96 -0.01 -1.36 118.68 122.13 1fhg s LEU 100 Ca -0.08 -0.67 -0.03 0.00 -0.22 0.00 0.00 54.13 53.13 1fhg s LEU 100 Cb -0.03 -0.77 -0.03 0.00 0.50 0.00 0.00 46.19 45.86 1fhg s LEU 100 CO -0.02 -0.23 -0.04 -0.89 -1.32 0.00 0.00 176.35 173.86 1fhg s THR 101 N 1.73 3.86 -0.31 3.68 2.01 0.66 -0.77 115.64 126.49 1fhg s THR 101 Ca 0.00 -0.38 -0.04 0.00 0.31 0.00 0.00 61.69 61.59 1fhg s THR 101 Cb -0.16 -2.67 0.04 0.00 0.01 0.00 0.00 72.50 69.72 1fhg s THR 101 CO -0.07 0.51 0.03 -0.63 -0.69 0.00 0.00 174.62 173.77 1fhg s ILE 102 N 0.21 3.29 0.23 1.82 1.01 0.18 -1.01 121.20 126.93 1fhg s ILE 102 Ca -0.03 -1.22 -0.05 0.00 0.00 0.00 0.00 60.65 59.35 1fhg s ILE 102 Cb -0.14 -2.85 0.14 0.00 0.01 0.00 0.00 42.46 39.63 1fhg s ILE 102 CO 0.03 -0.09 1.77 0.77 0.00 0.00 0.00 174.94 177.43 1fhg h SER 103 N 8.08 0.97 -2.38 3.58 4.64 -1.78 0.51 113.55 127.17 1fhg h SER 103 Ca -0.24 -0.18 -0.53 0.00 -0.47 0.00 0.00 61.79 60.38 1fhg h SER 103 Cb 1.08 -0.25 -0.37 0.00 -0.31 0.00 0.00 62.40 62.54 1fhg h SER 103 CO 0.56 0.92 -0.82 -1.61 -0.87 0.00 0.00 176.83 175.01 1fhg s GLU 104 N -5.34 0.62 0.20 4.77 2.02 -1.26 -3.50 118.70 116.21 1fhg s GLU 104 Ca -0.11 -1.32 -0.33 0.00 0.02 0.00 0.00 54.97 53.24 1fhg s GLU 104 Cb 0.15 -1.16 -0.13 0.00 0.10 0.00 0.00 34.13 33.09 1fhg s GLU 104 CO 0.83 -1.23 1.54 0.28 0.02 0.00 0.00 175.26 176.69 1fhg n VAL 105 N 3.92 0.40 -4.42 2.63 0.31 -0.32 -4.72 118.33 116.12 1fhg n VAL 105 Ca 0.14 -0.10 -0.22 0.00 -0.01 0.00 0.00 64.34 64.16 1fhg n VAL 105 Cb 0.40 -1.60 -0.09 0.00 -0.91 0.00 0.00 33.84 31.65 1fhg n VAL 105 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fhg h GLY 107 N 2.05 1.19 2.00 0.00 0.00 -1.96 0.56 103.07 106.91 1fhg h GLY 107 Ca -0.36 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1fhg h GLY 107 CO 0.58 0.01 0.00 -1.80 0.00 0.00 0.00 176.54 175.34 1fhg h ASP 108 N 0.58 0.00 1.34 0.19 1.82 -2.00 -2.07 116.42 116.29 1fhg h ASP 108 Ca 0.49 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.13 1fhg h ASP 108 Cb 0.96 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.97 1fhg h ASP 108 CO -0.23 0.00 -0.30 0.44 -1.61 0.00 0.00 179.24 177.54 1fhg h ASP 109 N 0.00 0.00 -1.88 2.28 3.32 -1.28 -3.44 116.42 115.42 1fhg h ASP 109 Ca 0.00 -0.06 -0.52 0.00 0.02 0.00 0.00 57.03 56.47 1fhg h ASP 109 Cb 0.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1fhg h ASP 109 CO 0.00 0.03 1.52 -0.62 -1.72 0.00 0.00 179.24 178.46 1fhg s ASP 110 N -4.86 4.99 0.11 6.45 -1.08 -0.78 -4.77 116.67 116.73 1fhg s ASP 110 Ca 0.07 1.28 -0.17 0.00 -0.52 0.00 0.00 52.55 53.21 1fhg s ASP 110 Cb 0.11 -2.51 0.06 0.00 -1.46 0.00 0.00 42.92 39.12 1fhg s ASP 110 CO 0.67 -2.42 0.81 0.00 0.52 0.00 0.00 175.17 174.74 1fhg n ALA 111 N 13.68 -2.13 -2.75 3.66 0.00 -0.87 -5.00 120.51 127.10 1fhg n ALA 111 Ca 0.31 -0.74 -0.36 0.00 0.00 0.00 0.00 53.44 52.65 1fhg n ALA 111 Cb 0.51 0.38 -0.10 0.00 0.00 0.00 0.00 19.45 20.24 1fhg n ALA 111 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1fhg s LYS 112 N -2.03 4.00 0.04 0.00 2.20 -1.26 -0.65 119.74 122.04 1fhg s LYS 112 Ca 0.18 -0.31 0.04 0.00 -0.36 0.00 0.00 55.97 55.52 1fhg s LYS 112 Cb -0.02 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 1fhg s LYS 112 CO 0.03 0.09 -0.03 0.71 -0.36 0.00 0.00 175.35 175.80 1fhg s TYR 113 N 0.92 2.95 -0.03 4.03 1.51 0.79 0.25 117.35 127.78 1fhg s TYR 113 Ca 0.06 -0.02 0.02 0.00 -1.01 0.00 0.00 57.07 56.13 1fhg s TYR 113 Cb -0.13 -1.58 0.00 0.00 -0.11 0.00 0.00 41.96 40.14 1fhg s TYR 113 CO 0.03 0.44 -0.09 0.99 -1.11 0.00 0.00 175.55 175.81 1fhg s THR 114 N -1.14 0.78 -0.16 -0.71 2.01 -0.21 -1.62 115.64 114.58 1fhg s THR 114 Ca 0.21 -0.36 -0.02 0.00 0.31 0.00 0.00 61.69 61.84 1fhg s THR 114 Cb -0.11 -0.70 -0.01 0.00 0.01 0.00 0.00 72.50 71.68 1fhg s THR 114 CO 0.12 0.25 -0.10 0.00 -0.69 0.00 0.00 174.62 174.20 1fhg s LYS 116 N 0.77 2.44 -0.05 0.00 2.20 -0.29 -1.95 119.74 122.86 1fhg s LYS 116 Ca -0.04 -0.75 0.05 0.00 -0.36 0.00 0.00 55.97 54.87 1fhg s LYS 116 Cb -0.15 -1.96 -0.01 0.00 -1.51 0.00 0.00 37.83 34.20 1fhg s LYS 116 CO 0.01 0.22 -0.21 0.00 -0.36 0.00 0.00 175.35 175.02 1fhg s ALA 117 N 0.20 1.80 -0.04 3.13 0.00 0.37 -1.58 121.76 125.64 1fhg s ALA 117 Ca -0.11 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 1fhg s ALA 117 Cb -0.15 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.41 1fhg s ALA 117 CO 0.05 0.35 0.10 0.14 0.00 0.00 0.00 175.76 176.40 1fhg s VAL 118 N -0.10 0.00 0.25 0.00 -7.23 -0.53 -0.89 120.40 111.91 1fhg s VAL 118 Ca -0.02 -0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.17 1fhg s VAL 118 Cb -0.12 -0.15 -0.01 0.00 0.56 0.00 0.00 36.38 36.66 1fhg s VAL 118 CO 0.02 -0.00 0.11 -0.46 -0.31 0.00 0.00 175.10 174.46 1fhg n ASN 119 N 3.02 0.81 0.16 4.85 0.23 -0.75 -1.19 115.26 122.39 1fhg n ASN 119 Ca -0.12 -2.40 0.12 0.00 -0.53 0.00 0.00 54.58 51.65 1fhg n ASN 119 Cb 0.59 0.74 0.56 0.00 -2.08 0.00 0.00 39.78 39.60 1fhg n ASN 119 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1fhg h SER 120 N 1.10 0.00 0.13 0.53 4.64 -1.94 -2.88 113.55 115.12 1fhg h SER 120 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1fhg h SER 120 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1fhg h SER 120 CO 0.30 0.00 -0.78 0.18 -0.87 0.00 0.00 176.83 175.67 1fhg n LEU 121 N -2.29 1.02 0.00 5.97 4.32 -1.26 -5.06 117.00 119.69 1fhg n LEU 121 Ca 0.00 -0.40 0.00 0.00 -0.02 0.00 0.00 56.01 55.59 1fhg n LEU 121 Cb 0.13 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 1fhg n LEU 121 CO 0.15 0.23 0.00 0.61 -1.22 0.00 0.00 177.39 177.17 1fhg n GLY 122 N 1.48 -1.05 3.18 -0.72 0.00 -1.09 -4.74 105.19 102.25 1fhg n GLY 122 Ca 0.05 -1.25 -0.08 0.00 0.00 0.00 0.00 46.02 44.74 1fhg n GLY 122 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1fhg s GLU 123 N -2.00 0.81 -0.01 1.61 -1.05 -1.26 -1.81 118.70 114.99 1fhg s GLU 123 Ca 0.00 -1.13 -0.05 0.00 -0.15 0.00 0.00 54.97 53.65 1fhg s GLU 123 Cb 0.00 0.29 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 1fhg s GLU 123 CO 0.00 -0.23 0.10 0.00 0.95 0.00 0.00 175.26 176.08 1fhg s ALA 124 N -3.91 -0.23 0.03 -0.84 0.00 -0.07 -4.81 121.76 111.93 1fhg s ALA 124 Ca 0.09 -0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.94 1fhg s ALA 124 Cb 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 1fhg s ALA 124 CO -0.08 -0.14 0.10 0.95 0.00 0.00 0.00 175.76 176.59 1fhg s THR 125 N -0.88 0.12 0.00 0.00 -4.23 -1.26 -0.48 115.64 108.91 1fhg s THR 125 Ca -0.10 -1.02 -0.02 0.00 -1.18 0.00 0.00 61.69 59.38 1fhg s THR 125 Cb -0.06 -0.80 -0.01 0.00 1.34 0.00 0.00 72.50 72.97 1fhg s THR 125 CO 0.01 -0.56 0.03 0.00 -0.54 0.00 0.00 174.62 173.55 1fhg s THR 127 N -0.87 1.04 0.11 0.00 -4.23 -1.26 -1.44 115.64 108.99 1fhg s THR 127 Ca -0.10 -1.90 -0.25 0.00 -1.18 0.00 0.00 61.69 58.27 1fhg s THR 127 Cb -0.06 -1.66 0.07 0.00 1.34 0.00 0.00 72.50 72.19 1fhg s THR 127 CO -0.00 -0.69 0.64 0.00 -0.54 0.00 0.00 174.62 174.03 1fhg s ALA 128 N -3.04 -1.65 -0.03 3.99 0.00 -0.64 -4.83 121.76 115.57 1fhg s ALA 128 Ca 0.12 0.68 -0.03 0.00 0.00 0.00 0.00 51.96 52.73 1fhg s ALA 128 Cb 0.01 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 1fhg s ALA 128 CO -0.00 -0.69 0.13 -1.21 0.00 0.00 0.00 175.76 173.99 1fhg s GLU 129 N -3.25 3.28 -0.24 0.00 0.41 -1.26 -0.15 118.70 117.49 1fhg s GLU 129 Ca -0.01 -0.35 -0.03 0.00 -0.41 0.00 0.00 54.97 54.17 1fhg s GLU 129 Cb -0.01 -3.01 0.01 0.00 -1.78 0.00 0.00 34.13 29.34 1fhg s GLU 129 CO -0.09 0.68 -0.04 -1.17 -0.49 0.00 0.00 175.26 174.16 1fhg s LEU 130 N -1.66 3.16 -0.24 1.80 2.96 0.18 -1.05 118.68 123.83 1fhg s LEU 130 Ca 0.23 -0.71 -0.09 0.00 -0.22 0.00 0.00 54.13 53.34 1fhg s LEU 130 Cb -0.12 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 1fhg s LEU 130 CO 0.14 -0.10 0.11 -0.22 -1.32 0.00 0.00 176.35 174.95 1fhg s LEU 131 N 1.39 3.74 -0.36 -0.68 2.96 -0.19 -2.06 118.68 123.48 1fhg s LEU 131 Ca 0.02 -0.06 -0.19 0.00 -0.22 0.00 0.00 54.13 53.67 1fhg s LEU 131 Cb -0.16 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.53 1fhg s LEU 131 CO -0.04 0.01 0.58 -0.69 -1.32 0.00 0.00 176.35 174.90 1fhg s VAL 132 N 1.35 4.94 0.10 1.68 1.01 -1.26 -1.24 120.40 126.99 1fhg s VAL 132 Ca 0.06 0.41 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 1fhg s VAL 132 Cb -0.15 -4.04 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 1fhg s VAL 132 CO 0.05 -0.30 0.97 -1.61 0.00 0.00 0.00 175.10 174.21 1fhg s GLU 133 N 2.57 4.68 -0.26 2.72 2.02 0.65 -4.85 118.70 126.24 1fhg s GLU 133 Ca 0.21 1.46 -0.00 0.00 0.02 0.00 0.00 54.97 56.66 1fhg s GLU 133 Cb -0.15 -3.38 0.04 0.00 0.10 0.00 0.00 34.13 30.74 1fhg s GLU 133 CO 0.15 0.19 -0.07 0.95 0.02 0.00 0.00 175.26 176.49 1fhg s THR 134 N 0.08 2.66 -2.00 3.63 -4.23 -1.26 -1.14 115.64 113.38 1fhg s THR 134 Ca 0.47 -1.24 0.15 0.00 -1.18 0.00 0.00 61.69 59.90 1fhg s THR 134 Cb -0.23 -2.42 0.43 0.00 1.34 0.00 0.00 72.50 71.62 1fhg s THR 134 CO 0.30 0.11 1.32 0.23 -0.54 0.00 0.00 174.62 176.04