#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7w s GLN 2 N 0.00 3.79 -0.04 0.38 -2.07 -1.26 -4.78 119.66 115.68 1s7w s GLN 2 Ca 0.00 0.25 0.05 0.00 -1.82 0.00 0.00 55.36 53.84 1s7w s GLN 2 Cb 0.00 -2.68 -0.01 0.00 -1.09 0.00 0.00 33.01 29.23 1s7w s GLN 2 CO 0.00 0.34 -0.20 0.15 -1.32 0.00 0.00 175.29 174.26 1s7w s LYS 3 N -2.75 2.01 -0.10 9.60 1.02 -0.72 -4.95 119.74 123.85 1s7w s LYS 3 Ca 0.46 -0.71 -0.15 0.00 0.02 0.00 0.00 55.97 55.58 1s7w s LYS 3 Cb -0.11 -1.75 -0.05 0.00 -0.52 0.00 0.00 37.83 35.40 1s7w s LYS 3 CO 0.21 0.31 0.39 -0.08 -0.92 0.00 0.00 175.35 175.26 1s7w s THR 4 N -0.08 5.19 0.24 2.17 -1.32 -1.25 -2.34 115.64 118.24 1s7w s THR 4 Ca -0.03 0.76 -0.31 0.00 -1.21 0.00 0.00 61.69 60.91 1s7w s THR 4 Cb -0.12 -3.71 -0.12 0.00 -1.51 0.00 0.00 72.50 67.04 1s7w s THR 4 CO 0.02 0.43 1.67 -0.81 -2.21 0.00 0.00 174.62 173.73 1s7w n PRO 5 N 3.01 2.74 -3.26 7.08 -0.04 -1.26 -4.55 135.00 138.72 1s7w n PRO 5 Ca -0.11 0.98 -0.38 0.00 -0.04 0.00 0.00 63.50 63.95 1s7w n PRO 5 Cb 0.52 -2.81 -0.06 0.00 -0.04 0.00 0.00 33.50 31.11 1s7w n PRO 5 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1s7w s GLN 6 N 0.54 4.21 -0.03 0.54 -1.52 -0.27 -4.93 119.66 118.20 1s7w s GLN 6 Ca 0.71 0.75 0.02 0.00 -1.95 0.00 0.00 55.36 54.89 1s7w s GLN 6 Cb -0.51 -3.20 0.01 0.00 -0.22 0.00 0.00 33.01 29.09 1s7w s GLN 6 CO 0.38 0.62 -0.07 0.42 -0.25 0.00 0.00 175.29 176.40 1s7w s ILE 7 N -1.15 0.62 -0.01 1.08 1.01 -1.26 -1.24 121.20 120.25 1s7w s ILE 7 Ca 0.30 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.76 1s7w s ILE 7 Cb -0.19 -0.59 -0.01 0.00 0.01 0.00 0.00 42.46 41.68 1s7w s ILE 7 CO 0.19 0.22 -0.14 -1.10 0.00 0.00 0.00 174.94 174.11 1s7w s GLN 8 N 0.45 1.14 -0.09 2.79 -0.21 -0.74 -5.00 119.66 118.00 1s7w s GLN 8 Ca -0.06 -0.49 0.01 0.00 0.02 0.00 0.00 55.36 54.84 1s7w s GLN 8 Cb -0.10 -1.09 0.02 0.00 1.00 0.00 0.00 33.01 32.83 1s7w s GLN 8 CO 0.00 0.29 -0.12 0.08 -2.12 0.00 0.00 175.29 173.43 1s7w s VAL 9 N -0.30 1.19 -0.10 1.09 1.01 -1.26 -1.38 120.40 120.65 1s7w s VAL 9 Ca 0.05 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1s7w s VAL 9 Cb -0.06 -1.11 0.11 0.00 0.00 0.00 0.00 36.38 35.32 1s7w s VAL 9 CO -0.00 0.38 0.91 -0.72 0.00 0.00 0.00 175.10 175.67 1s7w s TYR 10 N 0.99 -0.42 0.37 5.22 1.13 -0.82 -4.41 117.35 119.41 1s7w s TYR 10 Ca -0.08 0.62 -0.17 0.00 -1.41 0.00 0.00 57.07 56.02 1s7w s TYR 10 Cb -0.15 0.46 -0.10 0.00 -1.10 0.00 0.00 41.96 41.08 1s7w s TYR 10 CO -0.00 -0.44 0.83 -1.54 -2.51 0.00 0.00 175.55 171.88 1s7w s SER 11 N -1.46 6.84 0.13 -0.18 1.04 -1.26 -0.42 113.70 118.38 1s7w s SER 11 Ca -0.02 1.45 -0.18 0.00 0.48 0.00 0.00 55.95 57.69 1s7w s SER 11 Cb -0.01 -2.44 -0.03 0.00 0.10 0.00 0.00 66.02 63.64 1s7w s SER 11 CO 0.00 -0.28 1.72 -0.09 0.98 0.00 0.00 173.24 175.58 1s7w h ARG 12 N 2.08 0.45 -6.23 4.02 2.43 -1.23 -3.45 114.38 112.45 1s7w h ARG 12 Ca -0.48 -0.06 -0.58 0.00 -0.81 0.00 0.00 59.98 58.05 1s7w h ARG 12 Cb 1.18 -0.09 -0.11 0.00 -0.42 0.00 0.00 29.97 30.53 1s7w h ARG 12 CO 0.63 0.39 -0.68 -1.01 -1.51 0.00 0.00 179.97 177.80 1s7w s HIS 13 N -5.82 2.61 0.03 2.20 3.76 -1.26 -5.05 115.29 111.76 1s7w s HIS 13 Ca -0.13 -0.24 -0.35 0.00 -0.15 0.00 0.00 55.06 54.19 1s7w s HIS 13 Cb 0.09 -1.16 -0.14 0.00 1.11 0.00 0.00 32.58 32.48 1s7w s HIS 13 CO 0.72 0.63 1.66 -2.30 -0.85 0.00 0.00 174.74 174.60 1s7w n PRO 14 N -0.73 1.95 -2.35 8.40 -0.02 -1.26 -4.87 135.00 136.12 1s7w n PRO 14 Ca -0.07 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 1s7w n PRO 14 Cb 0.59 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 1s7w n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1s7w s PRO 15 N 2.11 4.29 -0.13 0.52 0.04 -1.26 -5.01 135.00 135.55 1s7w s PRO 15 Ca 0.86 1.79 -0.00 0.00 0.04 0.00 0.00 61.00 63.68 1s7w s PRO 15 Cb -0.75 -3.65 0.03 0.00 0.04 0.00 0.00 34.50 30.17 1s7w s PRO 15 CO 0.46 -0.58 -0.09 -2.00 0.04 0.00 0.00 177.00 174.83 1s7w s GLU 16 N 2.74 1.70 0.03 4.56 2.12 -1.26 -5.11 118.70 123.48 1s7w s GLU 16 Ca 0.59 -0.38 -0.37 0.00 0.36 0.00 0.00 54.97 55.17 1s7w s GLU 16 Cb -0.26 -1.79 -0.16 0.00 0.26 0.00 0.00 34.13 32.18 1s7w s GLU 16 CO 0.22 -0.29 1.46 0.09 -0.54 0.00 0.00 175.26 176.20 1s7w n ASN 17 N 4.89 2.06 0.00 -1.70 3.02 -1.26 -1.64 115.26 120.63 1s7w n ASN 17 Ca -0.13 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.52 1s7w n ASN 17 Cb 0.50 -1.23 0.00 0.00 -0.61 0.00 0.00 39.78 38.44 1s7w n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s7w n GLY 18 N 3.00 0.95 3.28 7.41 0.00 -0.72 -5.02 105.19 114.10 1s7w n GLY 18 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1s7w n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s7w s LYS 19 N -0.59 3.17 0.27 1.61 2.20 -0.65 -5.01 119.74 120.73 1s7w s LYS 19 Ca 0.00 -0.77 -0.28 0.00 -0.36 0.00 0.00 55.97 54.57 1s7w s LYS 19 Cb 0.00 -3.06 -0.15 0.00 -1.51 0.00 0.00 37.83 33.12 1s7w s LYS 19 CO 0.00 -0.30 0.80 -2.30 -0.36 0.00 0.00 175.35 173.20 1s7w n PRO 20 N 4.77 0.82 -1.82 4.03 -0.02 -1.26 -4.46 135.00 137.06 1s7w n PRO 20 Ca -0.17 0.29 -0.01 0.00 -2.02 0.00 0.00 63.50 61.59 1s7w n PRO 20 Cb 0.49 -1.53 -0.00 0.00 -0.02 0.00 0.00 33.50 32.44 1s7w n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1s7w n ASN 21 N 1.49 -0.10 -4.03 2.55 2.85 0.32 -4.97 115.26 113.37 1s7w n ASN 21 Ca 0.13 -1.15 -0.24 0.00 -0.11 0.00 0.00 54.58 53.21 1s7w n ASN 21 Cb 0.30 0.19 -0.16 0.00 1.24 0.00 0.00 39.78 41.35 1s7w n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1s7w s ILE 22 N -2.41 1.09 -0.20 -1.44 1.01 -1.26 -1.40 121.20 116.58 1s7w s ILE 22 Ca 0.02 -0.48 -0.10 0.00 0.00 0.00 0.00 60.65 60.09 1s7w s ILE 22 Cb -0.00 -0.98 -0.05 0.00 0.01 0.00 0.00 42.46 41.44 1s7w s ILE 22 CO 0.02 0.34 0.14 -0.22 0.00 0.00 0.00 174.94 175.21 1s7w s LEU 23 N 0.44 4.20 -0.05 2.97 2.96 0.13 -0.60 118.68 128.73 1s7w s LEU 23 Ca -0.10 0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.05 1s7w s LEU 23 Cb -0.13 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1s7w s LEU 23 CO 0.02 0.17 -0.05 0.20 -1.32 0.00 0.00 176.35 175.38 1s7w s ASN 24 N 0.42 4.81 -0.22 3.68 0.01 0.44 -1.56 114.94 122.52 1s7w s ASN 24 Ca 0.08 -0.01 0.02 0.00 -0.71 0.00 0.00 52.86 52.24 1s7w s ASN 24 Cb -0.11 -1.23 0.04 0.00 0.41 0.00 0.00 41.25 40.36 1s7w s ASN 24 CO -0.01 0.35 -0.13 0.00 -1.51 0.00 0.00 177.10 175.79 1s7w s TYR 26 N 1.25 3.09 -0.19 0.00 5.04 -0.48 -0.45 117.35 125.60 1s7w s TYR 26 Ca -0.03 -0.99 0.01 0.00 -2.44 0.00 0.00 57.07 53.62 1s7w s TYR 26 Cb -0.17 -2.19 0.03 0.00 0.35 0.00 0.00 41.96 39.98 1s7w s TYR 26 CO -0.08 -0.57 -0.15 0.08 -1.34 0.00 0.00 175.55 173.49 1s7w s VAL 27 N 1.48 1.91 0.35 3.14 1.01 -0.04 -1.79 120.40 126.45 1s7w s VAL 27 Ca 0.03 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.02 1s7w s VAL 27 Cb -0.16 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 1s7w s VAL 27 CO 0.00 0.34 0.08 0.42 0.00 0.00 0.00 175.10 175.94 1s7w s THR 28 N 1.31 1.00 -1.27 3.92 -4.23 -0.37 -0.66 115.64 115.33 1s7w s THR 28 Ca 0.01 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1s7w s THR 28 Cb -0.15 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.05 1s7w s THR 28 CO -0.10 0.00 0.05 1.67 -0.54 0.00 0.00 174.62 175.70 1s7w n GLN 29 N -0.76 -1.49 -4.24 3.99 -0.06 -0.54 -1.11 117.38 113.16 1s7w n GLN 29 Ca -0.04 0.72 -0.24 0.00 -2.00 0.00 0.00 57.00 55.45 1s7w n GLN 29 Cb 0.66 -5.06 -0.07 0.00 -4.06 0.00 0.00 30.24 21.71 1s7w n GLN 29 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 1s7w s PHE 30 N -2.78 2.80 -0.28 3.69 -0.71 -1.16 -3.91 117.98 115.63 1s7w s PHE 30 Ca 0.03 -0.18 -0.20 0.00 -1.04 0.00 0.00 56.93 55.54 1s7w s PHE 30 Cb -0.01 -1.28 0.12 0.00 -1.21 0.00 0.00 43.02 40.64 1s7w s PHE 30 CO 0.03 0.58 0.90 -1.58 -1.34 0.00 0.00 175.22 173.81 1s7w s HIS 31 N -2.13 -0.67 0.99 3.49 2.46 -0.99 -0.77 115.29 117.67 1s7w s HIS 31 Ca 0.30 1.44 -0.15 0.00 0.47 0.00 0.00 55.06 57.13 1s7w s HIS 31 Cb -0.07 0.40 0.19 0.00 -0.13 0.00 0.00 32.58 32.97 1s7w s HIS 31 CO 0.20 -0.33 1.18 -1.25 -2.47 0.00 0.00 174.74 172.08 1s7w s PRO 32 N 0.97 0.50 0.48 2.88 0.04 -1.26 -1.75 135.00 136.85 1s7w s PRO 32 Ca -0.05 0.01 0.32 0.00 0.04 0.00 0.00 61.00 61.33 1s7w s PRO 32 Cb -0.04 -1.79 1.50 0.00 0.04 0.00 0.00 34.50 34.20 1s7w s PRO 32 CO -0.12 -2.58 1.96 -1.00 0.04 0.00 0.00 177.00 175.31 1s7w h PRO 33 N -1.77 0.00 -6.54 0.56 0.13 -1.99 -3.44 132.00 118.95 1s7w h PRO 33 Ca -0.47 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.13 1s7w h PRO 33 Cb 1.30 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.46 1s7w h PRO 33 CO 0.49 0.00 0.82 -1.58 -0.23 0.00 0.00 178.00 177.51 1s7w s HIS 34 N -3.68 3.05 0.01 1.56 2.46 -1.26 -4.99 115.29 112.44 1s7w s HIS 34 Ca -0.00 0.75 -0.26 0.00 0.47 0.00 0.00 55.06 56.02 1s7w s HIS 34 Cb 0.10 -3.80 0.06 0.00 -0.13 0.00 0.00 32.58 28.80 1s7w s HIS 34 CO 0.43 -2.94 0.58 -1.50 -2.47 0.00 0.00 174.74 168.83 1s7w s ILE 35 N 1.41 0.02 -0.11 0.89 2.07 -1.26 -4.69 121.20 119.52 1s7w s ILE 35 Ca 0.68 -0.13 0.04 0.00 -1.41 0.00 0.00 60.65 59.82 1s7w s ILE 35 Cb -0.39 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.25 1s7w s ILE 35 CO 0.30 -0.07 -0.24 -1.61 -1.91 0.00 0.00 174.94 171.42 1s7w s GLU 36 N -1.89 3.04 -0.10 3.50 2.02 -0.80 -5.01 118.70 119.47 1s7w s GLU 36 Ca -0.08 -0.87 0.02 0.00 0.02 0.00 0.00 54.97 54.06 1s7w s GLU 36 Cb -0.01 -2.33 0.01 0.00 0.10 0.00 0.00 34.13 31.90 1s7w s GLU 36 CO 0.03 0.14 -0.17 0.42 0.02 0.00 0.00 175.26 175.70 1s7w s ILE 37 N 0.44 1.57 0.11 -1.63 1.01 -1.26 -1.26 121.20 120.18 1s7w s ILE 37 Ca -0.16 -0.71 0.10 0.00 0.00 0.00 0.00 60.65 59.88 1s7w s ILE 37 Cb -0.17 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 1s7w s ILE 37 CO 0.07 0.45 -0.26 -1.10 0.00 0.00 0.00 174.94 174.10 1s7w s GLN 38 N 0.73 1.45 -0.01 2.79 -0.21 0.38 -4.99 119.66 119.79 1s7w s GLN 38 Ca -0.12 -1.27 0.03 0.00 0.02 0.00 0.00 55.36 54.02 1s7w s GLN 38 Cb -0.16 -1.85 -0.03 0.00 1.00 0.00 0.00 33.01 31.97 1s7w s GLN 38 CO 0.02 0.45 -0.09 -1.64 -2.12 0.00 0.00 175.29 171.91 1s7w s MET 39 N -1.86 2.53 0.00 2.91 -1.94 -1.26 0.42 119.30 120.11 1s7w s MET 39 Ca 0.13 -0.71 0.02 0.00 -1.71 0.00 0.00 55.69 53.42 1s7w s MET 39 Cb -0.10 -2.47 -0.01 0.00 2.01 0.00 0.00 34.83 34.26 1s7w s MET 39 CO 0.05 0.61 -0.08 -0.51 -0.01 0.00 0.00 175.02 175.08 1s7w s LEU 40 N -1.21 2.04 -0.20 -0.03 1.43 -0.43 -1.16 118.68 119.12 1s7w s LEU 40 Ca 0.15 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1s7w s LEU 40 Cb -0.11 -0.39 0.02 0.00 0.03 0.00 0.00 46.19 45.74 1s7w s LEU 40 CO 0.05 0.07 -0.15 -0.75 0.23 0.00 0.00 176.35 175.80 1s7w s LYS 41 N -0.33 2.89 -1.37 1.70 2.20 -0.70 -0.93 119.74 123.20 1s7w s LYS 41 Ca 0.02 -0.91 -0.03 0.00 -0.36 0.00 0.00 55.97 54.68 1s7w s LYS 41 Cb -0.04 -2.71 0.02 0.00 -1.51 0.00 0.00 37.83 33.59 1s7w s LYS 41 CO -0.00 -0.29 0.75 0.09 -0.36 0.00 0.00 175.35 175.54 1s7w n ASN 42 N 4.61 -1.97 0.00 1.43 3.02 0.38 -1.68 115.26 121.05 1s7w n ASN 42 Ca -0.19 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 1s7w n ASN 42 Cb 0.48 -3.93 0.00 0.00 -0.61 0.00 0.00 39.78 35.72 1s7w n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s7w n GLY 43 N -1.64 1.84 3.76 7.41 0.00 -1.26 -5.01 105.19 110.29 1s7w n GLY 43 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1s7w n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s7w s LYS 44 N -0.07 3.13 0.12 1.61 2.20 -0.68 -5.01 119.74 121.03 1s7w s LYS 44 Ca 0.00 -0.34 -0.33 0.00 -0.36 0.00 0.00 55.97 54.94 1s7w s LYS 44 Cb 0.00 -2.92 -0.12 0.00 -1.51 0.00 0.00 37.83 33.28 1s7w s LYS 44 CO 0.00 0.72 1.73 1.17 -0.36 0.00 0.00 175.35 178.60 1s7w n LYS 45 N 1.93 2.45 -2.88 4.03 4.81 -1.26 -1.71 118.16 125.51 1s7w n LYS 45 Ca -0.18 0.89 -0.42 0.00 -0.87 0.00 0.00 58.31 57.73 1s7w n LYS 45 Cb 0.54 -2.72 -0.04 0.00 0.02 0.00 0.00 35.03 32.83 1s7w n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1s7w s ILE 46 N 1.97 4.84 0.13 3.15 1.01 -0.31 -4.87 121.20 127.13 1s7w s ILE 46 Ca 0.81 1.60 -0.14 0.00 0.00 0.00 0.00 60.65 62.92 1s7w s ILE 46 Cb -0.60 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 37.74 1s7w s ILE 46 CO 0.39 -0.05 1.58 -0.65 0.00 0.00 0.00 174.94 176.21 1s7w h PRO 47 N 7.58 0.73 -2.58 2.79 0.11 -1.92 -3.38 132.00 135.33 1s7w h PRO 47 Ca -0.24 -0.22 -0.75 0.00 0.11 0.00 0.00 66.00 64.89 1s7w h PRO 47 Cb 1.10 -0.07 -0.32 0.00 0.11 0.00 0.00 31.00 31.82 1s7w h PRO 47 CO 0.87 0.80 0.45 1.63 -0.21 0.00 0.00 178.00 181.53 1s7w n LYS 48 N -4.44 4.20 -3.14 1.05 4.01 -1.26 -4.99 118.16 113.59 1s7w n LYS 48 Ca -0.00 -4.63 -0.40 0.00 -0.51 0.00 0.00 58.31 52.76 1s7w n LYS 48 Cb 0.28 -2.43 -0.07 0.00 -0.51 0.00 0.00 35.03 32.31 1s7w n LYS 48 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1s7w s VAL 49 N -3.20 5.01 0.38 -0.18 1.01 -1.26 -4.80 120.40 117.36 1s7w s VAL 49 Ca 0.36 1.06 -0.24 0.00 0.00 0.00 0.00 61.98 63.16 1s7w s VAL 49 Cb 0.12 -3.90 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 1s7w s VAL 49 CO 0.02 0.05 1.00 -1.61 0.00 0.00 0.00 175.10 174.55 1s7w s GLU 50 N 2.43 4.31 -0.08 2.72 0.41 -0.49 -4.92 118.70 123.07 1s7w s GLU 50 Ca 0.25 1.39 -0.02 0.00 -0.41 0.00 0.00 54.97 56.17 1s7w s GLU 50 Cb -0.16 -2.56 0.04 0.00 -1.78 0.00 0.00 34.13 29.67 1s7w s GLU 50 CO 0.09 0.01 0.04 1.41 -0.49 0.00 0.00 175.26 176.32 1s7w s MET 51 N -2.47 0.22 0.90 1.61 1.75 -1.26 -1.69 119.30 118.36 1s7w s MET 51 Ca 0.56 0.16 -0.11 0.00 -1.25 0.00 0.00 55.69 55.06 1s7w s MET 51 Cb -0.19 -0.98 0.13 0.00 2.84 0.00 0.00 34.83 36.64 1s7w s MET 51 CO 0.24 -0.40 1.11 -1.54 -0.65 0.00 0.00 175.02 173.78 1s7w s SER 52 N 2.08 3.21 0.47 1.11 1.04 -0.04 -5.00 113.70 116.57 1s7w s SER 52 Ca 0.04 1.92 -0.19 0.00 0.48 0.00 0.00 55.95 58.19 1s7w s SER 52 Cb -0.13 -2.47 -0.09 0.00 0.10 0.00 0.00 66.02 63.43 1s7w s SER 52 CO -0.05 -2.87 0.98 -1.81 0.98 0.00 0.00 173.24 170.47 1s7w s ASP 53 N -2.96 6.67 -0.10 7.02 1.01 -1.26 -4.78 116.67 122.27 1s7w s ASP 53 Ca 0.65 1.71 -0.33 0.00 0.71 0.00 0.00 52.55 55.28 1s7w s ASP 53 Cb -0.21 -2.53 -0.11 0.00 1.01 0.00 0.00 42.92 41.08 1s7w s ASP 53 CO 0.58 -0.55 1.95 0.80 0.21 0.00 0.00 175.17 178.16 1s7w n MET 54 N -1.05 2.19 -4.38 8.23 0.00 -1.26 -4.88 117.12 115.97 1s7w n MET 54 Ca 0.07 0.78 -0.20 0.00 -0.00 0.00 0.00 57.70 58.36 1s7w n MET 54 Cb 0.54 -2.74 -0.10 0.00 0.00 0.00 0.00 33.22 30.92 1s7w n MET 54 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1s7w s SER 55 N 4.73 2.68 0.03 6.12 0.01 -1.19 -5.04 113.70 121.04 1s7w s SER 55 Ca 0.94 -1.09 0.03 0.00 1.31 0.00 0.00 55.95 57.14 1s7w s SER 55 Cb -0.64 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 65.42 1s7w s SER 55 CO 0.49 -0.24 -0.09 0.72 0.41 0.00 0.00 173.24 174.54 1s7w s PHE 56 N -2.98 0.75 0.70 2.43 -0.12 -1.26 -1.43 117.98 116.07 1s7w s PHE 56 Ca 0.26 -0.38 -0.05 0.00 -0.05 0.00 0.00 56.93 56.71 1s7w s PHE 56 Cb 0.01 -0.45 0.08 0.00 -0.63 0.00 0.00 43.02 42.03 1s7w s PHE 56 CO 0.09 -0.04 0.99 -1.12 -0.05 0.00 0.00 175.22 175.10 1s7w s SER 57 N -1.18 4.69 0.33 1.98 0.01 -0.60 -4.94 113.70 113.99 1s7w s SER 57 Ca -0.05 0.23 0.25 0.00 1.31 0.00 0.00 55.95 57.70 1s7w s SER 57 Cb -0.08 -0.84 1.15 0.00 0.21 0.00 0.00 66.02 66.46 1s7w s SER 57 CO 0.01 -1.64 1.77 0.07 0.41 0.00 0.00 173.24 173.85 1s7w h LYS 58 N -0.55 0.00 -0.18 12.44 2.10 -2.02 0.13 116.57 128.50 1s7w h LYS 58 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1s7w h LYS 58 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1s7w h LYS 58 CO 0.54 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.59 1s7w n ASP 59 N -2.39 1.08 0.00 7.07 5.68 -1.26 -4.93 116.55 121.80 1s7w n ASP 59 Ca 0.01 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.43 1s7w n ASP 59 Cb 0.18 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 1s7w n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1s7w n TRP 60 N 0.04 0.00 -1.77 2.11 7.02 0.45 -5.03 117.44 120.26 1s7w n TRP 60 Ca 0.10 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.25 1s7w n TRP 60 Cb 0.19 0.00 0.04 0.00 -2.42 0.00 0.00 31.31 29.12 1s7w n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1s7w s SER 61 N -1.52 5.19 0.32 -0.99 1.04 -1.26 -4.66 113.70 111.81 1s7w s SER 61 Ca 0.00 1.95 0.03 0.00 0.48 0.00 0.00 55.95 58.41 1s7w s SER 61 Cb 0.00 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.55 1s7w s SER 61 CO 0.00 -1.58 0.48 -0.36 0.98 0.00 0.00 173.24 172.76 1s7w s PHE 62 N -2.41 3.39 0.03 5.02 0.08 0.05 -1.56 117.98 122.58 1s7w s PHE 62 Ca 0.66 0.11 -0.17 0.00 0.12 0.00 0.00 56.93 57.65 1s7w s PHE 62 Cb -0.19 -1.83 0.03 0.00 -0.57 0.00 0.00 43.02 40.46 1s7w s PHE 62 CO 0.42 0.17 0.38 1.52 -0.10 0.00 0.00 175.22 177.61 1s7w s TYR 63 N -2.19 -0.23 -0.11 0.36 1.13 -0.51 -1.47 117.35 114.33 1s7w s TYR 63 Ca 0.39 0.22 -0.11 0.00 -1.41 0.00 0.00 57.07 56.16 1s7w s TYR 63 Cb -0.09 0.17 0.03 0.00 -1.10 0.00 0.00 41.96 40.97 1s7w s TYR 63 CO 0.33 -0.52 0.31 0.42 -2.51 0.00 0.00 175.55 173.58 1s7w s ILE 64 N -2.18 0.01 -0.18 -3.49 1.01 0.17 -3.16 121.20 113.37 1s7w s ILE 64 Ca -0.07 -0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.47 1s7w s ILE 64 Cb -0.02 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 1s7w s ILE 64 CO -0.01 -0.03 -0.01 -0.22 0.00 0.00 0.00 174.94 174.67 1s7w s LEU 65 N -0.02 3.33 -0.00 2.97 2.96 -1.26 -0.86 118.68 125.80 1s7w s LEU 65 Ca -0.02 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.82 1s7w s LEU 65 Cb -0.03 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1s7w s LEU 65 CO 0.01 0.13 -0.16 0.00 -1.32 0.00 0.00 176.35 175.01 1s7w s ALA 66 N 0.62 2.64 0.12 5.97 0.00 0.40 -0.86 121.76 130.66 1s7w s ALA 66 Ca -0.01 -1.08 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 1s7w s ALA 66 Cb -0.14 -0.86 0.01 0.00 0.00 0.00 0.00 23.12 22.13 1s7w s ALA 66 CO 0.02 0.57 0.30 -3.38 0.00 0.00 0.00 175.76 173.27 1s7w s HIS 67 N -0.83 0.07 0.05 0.00 -0.00 -0.68 0.23 115.29 114.13 1s7w s HIS 67 Ca 0.13 -0.45 -0.22 0.00 -0.00 0.00 0.00 55.06 54.52 1s7w s HIS 67 Cb -0.11 0.07 0.05 0.00 -0.00 0.00 0.00 32.58 32.60 1s7w s HIS 67 CO 0.03 -0.66 0.52 -0.08 -0.00 0.00 0.00 174.74 174.56 1s7w s THR 68 N -3.87 0.03 0.39 -5.38 -1.32 -0.60 -1.40 115.64 103.49 1s7w s THR 68 Ca 0.07 -0.24 -0.26 0.00 -1.21 0.00 0.00 61.69 60.05 1s7w s THR 68 Cb 0.03 -0.98 -0.09 0.00 -1.51 0.00 0.00 72.50 69.96 1s7w s THR 68 CO -0.09 -0.13 1.18 -1.61 -2.21 0.00 0.00 174.62 171.76 1s7w s GLU 69 N -2.51 4.10 -0.07 7.08 2.02 -1.26 -0.69 118.70 127.36 1s7w s GLU 69 Ca -0.05 1.86 -0.26 0.00 0.02 0.00 0.00 54.97 56.54 1s7w s GLU 69 Cb -0.01 -2.72 0.06 0.00 0.10 0.00 0.00 34.13 31.56 1s7w s GLU 69 CO -0.02 -0.29 0.60 -0.59 0.02 0.00 0.00 175.26 174.98 1s7w s PHE 70 N -1.39 -0.57 -0.40 1.61 -0.71 -0.50 -4.80 117.98 111.24 1s7w s PHE 70 Ca 0.56 1.04 0.04 0.00 -1.04 0.00 0.00 56.93 57.53 1s7w s PHE 70 Cb -0.31 0.32 0.11 0.00 -1.21 0.00 0.00 43.02 41.93 1s7w s PHE 70 CO 0.40 -0.52 0.12 0.99 -1.34 0.00 0.00 175.22 174.86 1s7w s THR 71 N -0.99 2.26 0.54 -4.49 2.01 -1.26 0.12 115.64 113.83 1s7w s THR 71 Ca -0.10 -2.60 -0.22 0.00 0.31 0.00 0.00 61.69 59.08 1s7w s THR 71 Cb -0.02 -2.64 -0.05 0.00 0.01 0.00 0.00 72.50 69.80 1s7w s THR 71 CO 0.07 -0.67 1.38 -0.81 -0.69 0.00 0.00 174.62 173.91 1s7w n PRO 72 N 3.92 1.79 -3.50 4.92 -0.04 -1.26 -4.81 135.00 136.02 1s7w n PRO 72 Ca 0.04 0.65 -0.17 0.00 -0.04 0.00 0.00 63.50 63.98 1s7w n PRO 72 Cb 0.39 -2.60 -0.04 0.00 -0.04 0.00 0.00 33.50 31.20 1s7w n PRO 72 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1s7w n THR 73 N -0.93 0.00 0.09 0.52 -2.24 -1.26 -1.75 114.28 108.71 1s7w n THR 73 Ca 0.10 -1.39 0.01 0.00 -2.27 0.00 0.00 64.05 60.49 1s7w n THR 73 Cb 0.44 0.37 0.35 0.00 -2.10 0.00 0.00 70.33 69.39 1s7w n THR 73 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1s7w h GLU 74 N 0.00 0.31 0.00 -0.78 3.07 -1.99 -3.38 114.58 111.81 1s7w h GLU 74 Ca -0.22 -0.08 -0.07 0.00 -0.50 0.00 0.00 59.36 58.50 1s7w h GLU 74 Cb 0.73 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 1s7w h GLU 74 CO 0.36 0.45 -1.30 -2.37 -1.40 0.00 0.00 179.01 174.75 1s7w n THR 75 N -4.25 0.25 -1.75 1.13 5.66 -1.26 -4.98 114.28 109.08 1s7w n THR 75 Ca -0.00 -0.18 -0.42 0.00 -3.05 0.00 0.00 64.05 60.40 1s7w n THR 75 Cb 0.29 -0.59 -0.03 0.00 -1.55 0.00 0.00 70.33 68.45 1s7w n THR 75 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1s7w s ASP 76 N -3.34 6.47 -0.04 1.09 1.01 -1.26 -4.99 116.67 115.61 1s7w s ASP 76 Ca -0.02 2.67 -0.09 0.00 0.71 0.00 0.00 52.55 55.81 1s7w s ASP 76 Cb 0.02 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 1s7w s ASP 76 CO 0.19 -0.99 0.27 0.42 0.21 0.00 0.00 175.17 175.27 1s7w s THR 77 N 3.19 5.28 0.02 -1.27 -4.23 -1.26 -4.77 115.64 112.60 1s7w s THR 77 Ca 0.81 0.40 0.07 0.00 -1.18 0.00 0.00 61.69 61.80 1s7w s THR 77 Cb -0.44 -3.56 -0.02 0.00 1.34 0.00 0.00 72.50 69.83 1s7w s THR 77 CO 0.37 0.52 -0.21 -0.31 -0.54 0.00 0.00 174.62 174.44 1s7w s TYR 78 N -1.14 1.90 0.26 3.99 1.51 -1.26 -0.47 117.35 122.14 1s7w s TYR 78 Ca 0.22 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.93 1s7w s TYR 78 Cb -0.14 -1.17 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 1s7w s TYR 78 CO 0.11 0.04 0.18 0.00 -1.11 0.00 0.00 175.55 174.77 1s7w s ALA 79 N -0.67 1.56 -0.06 3.71 0.00 -0.11 -0.79 121.76 125.40 1s7w s ALA 79 Ca 0.08 -1.83 0.01 0.00 0.00 0.00 0.00 51.96 50.22 1s7w s ALA 79 Cb -0.09 1.35 0.02 0.00 0.00 0.00 0.00 23.12 24.41 1s7w s ALA 79 CO 0.01 -0.59 -0.04 0.00 0.00 0.00 0.00 175.76 175.13 1s7w s ARG 81 N 1.17 3.26 -0.10 0.00 3.52 0.17 -0.90 118.95 126.07 1s7w s ARG 81 Ca -0.07 -0.71 0.03 0.00 -0.13 0.00 0.00 55.73 54.85 1s7w s ARG 81 Cb -0.14 -2.74 0.01 0.00 -1.56 0.00 0.00 34.95 30.52 1s7w s ARG 81 CO -0.01 -0.04 -0.18 0.08 -0.81 0.00 0.00 175.30 174.33 1s7w s VAL 82 N 1.00 1.68 -0.11 7.11 1.01 -0.15 -0.47 120.40 130.46 1s7w s VAL 82 Ca -0.01 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1s7w s VAL 82 Cb -0.15 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 1s7w s VAL 82 CO -0.02 0.48 -0.16 -0.75 0.00 0.00 0.00 175.10 174.65 1s7w s LYS 83 N 0.69 3.15 0.00 2.72 2.20 -0.39 -0.81 119.74 127.30 1s7w s LYS 83 Ca -0.12 -0.73 -0.15 0.00 -0.36 0.00 0.00 55.97 54.61 1s7w s LYS 83 Cb -0.16 -2.52 0.02 0.00 -1.51 0.00 0.00 37.83 33.67 1s7w s LYS 83 CO 0.03 0.28 0.32 -1.58 -0.36 0.00 0.00 175.35 174.04 1s7w s HIS 84 N 0.15 -0.17 0.18 4.03 5.65 -1.26 -1.90 115.29 121.97 1s7w s HIS 84 Ca -0.08 0.19 0.34 0.00 0.25 0.00 0.00 55.06 55.76 1s7w s HIS 84 Cb -0.15 0.10 1.72 0.00 -1.18 0.00 0.00 32.58 33.07 1s7w s HIS 84 CO 0.05 -0.43 2.02 -0.44 -0.65 0.00 0.00 174.74 175.30 1s7w h ASP 85 N 3.65 0.00 0.49 9.88 3.32 -1.94 -1.94 116.42 129.88 1s7w h ASP 85 Ca -0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1s7w h ASP 85 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1s7w h ASP 85 CO 0.42 0.00 0.00 0.77 -1.72 0.00 0.00 179.24 178.71 1s7w h SER 86 N 0.00 0.00 -3.54 6.45 4.64 -1.87 -3.43 113.55 115.80 1s7w h SER 86 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 1s7w h SER 86 Cb 0.13 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 61.89 1s7w h SER 86 CO 0.00 0.00 -0.88 -0.04 -0.87 0.00 0.00 176.83 175.04 1s7w s MET 87 N -3.56 2.80 0.24 4.77 -1.94 -0.73 -4.96 119.30 115.93 1s7w s MET 87 Ca 0.01 -0.85 -0.06 0.00 -1.71 0.00 0.00 55.69 53.08 1s7w s MET 87 Cb 0.09 -2.19 0.25 0.00 2.01 0.00 0.00 34.83 34.98 1s7w s MET 87 CO 0.37 0.23 1.82 0.00 -0.01 0.00 0.00 175.02 177.42 1s7w h ALA 88 N 6.54 1.13 -3.78 3.03 0.00 -1.84 -3.43 119.26 120.90 1s7w h ALA 88 Ca -0.23 -0.18 -0.60 0.00 0.00 0.00 0.00 54.91 53.90 1s7w h ALA 88 Cb 1.22 -0.30 -0.22 0.00 0.00 0.00 0.00 17.79 18.49 1s7w h ALA 88 CO 0.47 0.63 -0.84 -1.21 0.00 0.00 0.00 179.25 178.30 1s7w s GLU 89 N -5.54 1.23 0.39 0.00 0.41 -1.26 -5.09 118.70 108.84 1s7w s GLU 89 Ca -0.12 -1.20 -0.25 0.00 -0.41 0.00 0.00 54.97 52.99 1s7w s GLU 89 Cb 0.16 -1.55 -0.12 0.00 -1.78 0.00 0.00 34.13 30.84 1s7w s GLU 89 CO 0.83 0.37 0.97 -2.30 -0.49 0.00 0.00 175.26 174.64 1s7w n PRO 90 N 1.11 1.30 -3.95 0.39 -0.02 -1.26 -4.88 135.00 127.69 1s7w n PRO 90 Ca -0.19 0.46 -0.35 0.00 -2.02 0.00 0.00 63.50 61.40 1s7w n PRO 90 Cb 0.53 -1.95 -0.12 0.00 -0.02 0.00 0.00 33.50 31.94 1s7w n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1s7w s LYS 91 N -1.86 3.67 -0.19 -0.52 2.47 0.01 -4.92 119.74 118.40 1s7w s LYS 91 Ca 0.62 -0.49 -0.08 0.00 -1.56 0.00 0.00 55.97 54.46 1s7w s LYS 91 Cb -0.60 -3.18 -0.04 0.00 -1.46 0.00 0.00 37.83 32.55 1s7w s LYS 91 CO 0.58 -0.03 0.08 0.99 0.16 0.00 0.00 175.35 177.13 1s7w s THR 92 N 1.15 4.95 -0.06 3.43 2.01 -1.26 -0.98 115.64 124.88 1s7w s THR 92 Ca 0.03 0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.10 1s7w s THR 92 Cb -0.14 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.13 1s7w s THR 92 CO 0.02 0.45 -0.17 0.54 -0.69 0.00 0.00 174.62 174.77 1s7w s VAL 93 N 0.41 1.45 0.07 3.82 0.11 -0.08 -4.94 120.40 121.24 1s7w s VAL 93 Ca 0.04 -0.70 -0.20 0.00 -2.93 0.00 0.00 61.98 58.19 1s7w s VAL 93 Cb -0.12 -1.27 -0.07 0.00 -1.53 0.00 0.00 36.38 33.40 1s7w s VAL 93 CO -0.00 0.42 0.59 -0.31 -3.33 0.00 0.00 175.10 172.47 1s7w s TYR 94 N 0.24 3.80 0.10 1.54 2.02 -1.26 -1.08 117.35 122.71 1s7w s TYR 94 Ca -0.09 1.29 -0.31 0.00 -0.37 0.00 0.00 57.07 57.60 1s7w s TYR 94 Cb -0.14 -2.54 -0.10 0.00 -0.40 0.00 0.00 41.96 38.79 1s7w s TYR 94 CO 0.04 0.55 1.82 -0.46 -1.57 0.00 0.00 175.55 175.92 1s7w s TRP 95 N -0.98 2.08 -0.25 2.71 -0.00 0.03 -4.82 118.94 117.70 1s7w s TRP 95 Ca 0.30 -0.02 -0.03 0.00 -0.00 0.00 0.00 56.10 56.35 1s7w s TRP 95 Cb -0.20 -4.15 0.02 0.00 -0.00 0.00 0.00 33.47 29.14 1s7w s TRP 95 CO 0.19 -4.78 -0.04 0.34 -0.00 0.00 0.00 176.95 172.66 1s7w s ASP 96 N 2.89 4.40 0.61 5.86 -1.08 -1.26 -4.78 116.67 123.31 1s7w s ASP 96 Ca 0.81 -0.78 0.39 0.00 -0.52 0.00 0.00 52.55 52.45 1s7w s ASP 96 Cb -0.44 -1.70 1.99 0.00 -1.46 0.00 0.00 42.92 41.31 1s7w s ASP 96 CO 0.36 -0.12 2.23 0.08 0.52 0.00 0.00 175.17 178.24 1s7w h ARG 97 N 8.06 0.00 -0.64 4.34 0.11 -1.94 -2.30 114.38 122.00 1s7w h ARG 97 Ca -0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.74 1s7w h ARG 97 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1s7w h ARG 97 CO 0.58 0.02 0.00 -0.25 0.10 0.00 0.00 179.97 180.42 1s7w n ASP 98 N -3.21 4.52 0.00 0.08 8.00 -1.26 -4.83 116.55 119.84 1s7w n ASP 98 Ca -0.02 -2.57 0.00 0.00 0.71 0.00 0.00 54.79 52.91 1s7w n ASP 98 Cb 0.15 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 1s7w n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61