#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 4.59 -0.11 9.51 -1.52 -1.26 -4.76 119.66 126.11 1s7w s GLN 2 Ca 0.00 1.32 0.03 0.00 -1.95 0.00 0.00 55.36 54.77 1s7w s GLN 2 Cb 0.00 -2.83 0.00 0.00 -0.22 0.00 0.00 33.01 29.96 1s7w s GLN 2 CO 0.00 0.30 -0.22 0.15 -0.25 0.00 0.00 175.29 175.26 1s7w s LYS 3 N -2.00 2.96 0.15 2.91 1.02 -0.38 -4.92 119.74 119.48 1s7w s LYS 3 Ca 0.49 -0.84 -0.28 0.00 0.02 0.00 0.00 55.97 55.37 1s7w s LYS 3 Cb -0.19 -2.30 -0.07 0.00 -0.52 0.00 0.00 37.83 34.75 1s7w s LYS 3 CO 0.24 0.09 0.86 -0.08 -0.92 0.00 0.00 175.35 175.54 1s7w s THR 4 N 0.56 4.40 0.37 2.17 -1.32 -1.26 -2.14 115.64 118.41 1s7w s THR 4 Ca -0.14 1.88 -0.26 0.00 -1.21 0.00 0.00 61.69 61.96 1s7w s THR 4 Cb -0.17 -4.23 -0.09 0.00 -1.51 0.00 0.00 72.50 66.50 1s7w s THR 4 CO 0.04 0.43 1.14 -2.16 -2.21 0.00 0.00 174.62 171.87 1s7w s PRO 5 N -0.64 4.24 -0.11 7.08 0.04 -1.26 -4.50 135.00 139.85 1s7w s PRO 5 Ca 0.40 1.80 -0.03 0.00 0.04 0.00 0.00 61.00 63.21 1s7w s PRO 5 Cb -0.23 -2.81 -0.03 0.00 0.04 0.00 0.00 34.50 31.47 1s7w s PRO 5 CO 0.28 -0.15 0.01 -0.65 0.04 0.00 0.00 177.00 176.54 1s7w s GLN 6 N -2.09 3.22 -0.04 4.56 -1.52 -0.47 -4.94 119.66 118.39 1s7w s GLN 6 Ca 0.53 -0.39 0.02 0.00 -1.95 0.00 0.00 55.36 53.57 1s7w s GLN 6 Cb -0.30 -2.89 0.01 0.00 -0.22 0.00 0.00 33.01 29.61 1s7w s GLN 6 CO 0.38 0.60 -0.09 0.42 -0.25 0.00 0.00 175.29 176.35 1s7w s ILE 7 N -0.59 0.86 0.02 1.08 1.01 -1.26 -1.10 121.20 121.22 1s7w s ILE 7 Ca 0.10 -0.36 0.07 0.00 0.00 0.00 0.00 60.65 60.45 1s7w s ILE 7 Cb -0.12 -0.79 -0.02 0.00 0.01 0.00 0.00 42.46 41.54 1s7w s ILE 7 CO 0.02 0.28 -0.20 -1.10 0.00 0.00 0.00 174.94 173.94 1s7w s GLN 8 N 0.47 1.44 -0.07 2.79 -0.21 -0.43 -4.98 119.66 118.67 1s7w s GLN 8 Ca -0.08 -0.82 0.03 0.00 0.02 0.00 0.00 55.36 54.51 1s7w s GLN 8 Cb -0.12 -1.48 0.01 0.00 1.00 0.00 0.00 33.01 32.42 1s7w s GLN 8 CO 0.01 0.39 -0.16 0.08 -2.12 0.00 0.00 175.29 173.50 1s7w s VAL 9 N -0.65 1.41 0.01 1.09 1.01 -1.26 -0.61 120.40 121.41 1s7w s VAL 9 Ca 0.07 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 1s7w s VAL 9 Cb -0.08 -1.26 0.10 0.00 0.00 0.00 0.00 36.38 35.14 1s7w s VAL 9 CO 0.01 0.42 0.90 -0.72 0.00 0.00 0.00 175.10 175.71 1s7w s TYR 10 N 0.54 -0.31 0.20 5.22 1.13 -1.10 -4.56 117.35 118.48 1s7w s TYR 10 Ca -0.15 0.16 -0.03 0.00 -1.41 0.00 0.00 57.07 55.63 1s7w s TYR 10 Cb -0.16 0.55 -0.05 0.00 -1.10 0.00 0.00 41.96 41.20 1s7w s TYR 10 CO 0.05 -0.57 0.43 -1.54 -2.51 0.00 0.00 175.55 171.41 1s7w s SER 11 N -2.54 6.44 0.10 -0.18 1.04 -1.26 -0.79 113.70 116.51 1s7w s SER 11 Ca 0.06 0.55 -0.17 0.00 0.48 0.00 0.00 55.95 56.88 1s7w s SER 11 Cb -0.01 -2.07 -0.05 0.00 0.10 0.00 0.00 66.02 63.98 1s7w s SER 11 CO -0.08 -0.05 1.54 -0.09 0.98 0.00 0.00 173.24 175.54 1s7w h ARG 12 N 2.22 0.57 -6.11 4.02 2.43 -1.16 -3.45 114.38 112.90 1s7w h ARG 12 Ca -0.47 -0.19 -0.54 0.00 -0.81 0.00 0.00 59.98 57.97 1s7w h ARG 12 Cb 1.18 -0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.61 1s7w h ARG 12 CO 0.69 0.71 -0.54 -1.01 -1.51 0.00 0.00 179.97 178.31 1s7w s HIS 13 N -4.96 2.72 -0.04 2.20 3.76 -1.26 -5.04 115.29 112.67 1s7w s HIS 13 Ca -0.13 -0.36 -0.34 0.00 -0.15 0.00 0.00 55.06 54.08 1s7w s HIS 13 Cb 0.09 -1.60 -0.12 0.00 1.11 0.00 0.00 32.58 32.05 1s7w s HIS 13 CO 0.77 0.36 1.81 -2.30 -0.85 0.00 0.00 174.74 174.53 1s7w n PRO 14 N -1.14 2.13 -2.40 8.40 -0.02 -1.26 -4.89 135.00 135.82 1s7w n PRO 14 Ca -0.03 0.78 -0.40 0.00 -2.02 0.00 0.00 63.50 61.83 1s7w n PRO 14 Cb 0.61 -2.60 -0.04 0.00 -0.02 0.00 0.00 33.50 31.45 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 3.33 4.47 -0.05 0.52 0.04 -1.26 -5.03 135.00 137.02 1s7w s PRO 15 Ca 0.90 1.84 -0.02 0.00 0.04 0.00 0.00 61.00 63.77 1s7w s PRO 15 Cb -0.70 -3.04 0.04 0.00 0.04 0.00 0.00 34.50 30.84 1s7w s PRO 15 CO 0.49 0.04 0.10 -1.21 0.04 0.00 0.00 177.00 176.46 1s7w s GLU 16 N -1.72 0.03 0.19 4.56 2.02 -1.26 -5.13 118.70 117.40 1s7w s GLU 16 Ca 0.48 0.31 -0.33 0.00 0.02 0.00 0.00 54.97 55.46 1s7w s GLU 16 Cb -0.32 -0.22 -0.13 0.00 0.10 0.00 0.00 34.13 33.56 1s7w s GLU 16 CO 0.41 -0.18 1.63 0.09 0.02 0.00 0.00 175.26 177.23 1s7w n ASN 17 N 4.30 3.47 0.00 -0.19 3.02 -1.26 -2.27 115.26 122.33 1s7w n ASN 17 Ca -0.25 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.38 1s7w n ASN 17 Cb 0.51 -1.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.18 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 3.48 0.61 3.43 7.41 0.00 -0.56 -5.01 105.19 114.56 1s7w n GLY 18 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1s7w n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s7w s LYS 19 N -0.79 3.56 0.29 1.61 1.02 -0.96 -4.99 119.74 119.47 1s7w s LYS 19 Ca 0.00 -0.54 -0.27 0.00 0.02 0.00 0.00 55.97 55.18 1s7w s LYS 19 Cb 0.00 -3.34 -0.15 0.00 -0.52 0.00 0.00 37.83 33.83 1s7w s LYS 19 CO 0.00 -0.24 0.77 -2.30 -0.92 0.00 0.00 175.35 172.66 1s7w n PRO 20 N 4.92 0.78 -1.78 -1.68 -0.02 -1.26 -4.35 135.00 131.61 1s7w n PRO 20 Ca -0.16 0.28 -0.02 0.00 -2.02 0.00 0.00 63.50 61.58 1s7w n PRO 20 Cb 0.51 -1.52 -0.00 0.00 -0.02 0.00 0.00 33.50 32.47 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 1.47 -0.31 -3.99 2.55 2.85 0.77 -4.98 115.26 113.61 1s7w n ASN 21 Ca 0.12 -1.31 -0.23 0.00 -0.11 0.00 0.00 54.58 53.05 1s7w n ASN 21 Cb 0.31 0.55 -0.16 0.00 1.24 0.00 0.00 39.78 41.72 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 -2.65 0.98 -0.16 -1.44 -1.09 -1.26 -2.06 121.20 113.53 1s7w s ILE 22 Ca 0.04 -0.39 -0.06 0.00 -2.23 0.00 0.00 60.65 58.01 1s7w s ILE 22 Cb -0.00 -0.91 -0.04 0.00 -1.58 0.00 0.00 42.46 39.93 1s7w s ILE 22 CO 0.03 0.32 0.04 -0.22 -1.23 0.00 0.00 174.94 173.88 1s7w s LEU 23 N 0.67 3.70 0.10 2.97 2.96 0.20 -0.49 118.68 128.79 1s7w s LEU 23 Ca -0.13 0.08 0.05 0.00 -0.22 0.00 0.00 54.13 53.91 1s7w s LEU 23 Cb -0.15 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1s7w s LEU 23 CO 0.03 0.22 0.01 0.20 -1.32 0.00 0.00 176.35 175.49 1s7w s ASN 24 N 0.06 5.04 -0.20 3.68 0.01 0.03 -1.39 114.94 122.17 1s7w s ASN 24 Ca 0.04 -0.19 -0.01 0.00 -0.71 0.00 0.00 52.86 51.99 1s7w s ASN 24 Cb -0.12 -1.20 0.05 0.00 0.41 0.00 0.00 41.25 40.39 1s7w s ASN 24 CO 0.01 0.16 -0.03 0.00 -1.51 0.00 0.00 177.10 175.73 1s7w s TYR 26 N 1.61 3.11 -0.18 0.00 5.04 0.22 -1.29 117.35 125.87 1s7w s TYR 26 Ca -0.02 -0.92 0.00 0.00 -2.44 0.00 0.00 57.07 53.69 1s7w s TYR 26 Cb -0.17 -2.23 0.01 0.00 0.35 0.00 0.00 41.96 39.92 1s7w s TYR 26 CO -0.07 -0.55 -0.16 0.08 -1.34 0.00 0.00 175.55 173.51 1s7w s VAL 27 N 1.51 2.44 0.36 3.14 1.01 -0.21 -1.31 120.40 127.34 1s7w s VAL 27 Ca 0.03 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1s7w s VAL 27 Cb -0.16 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1s7w s VAL 27 CO 0.02 0.51 0.09 0.42 0.00 0.00 0.00 175.10 176.14 1s7w s THR 28 N 1.19 0.89 -1.36 3.92 -4.23 -0.26 -0.24 115.64 115.56 1s7w s THR 28 Ca 0.02 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.49 1s7w s THR 28 Cb -0.14 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1s7w s THR 28 CO -0.08 0.00 0.49 0.00 -0.54 0.00 0.00 174.62 174.50 1s7w n GLN 29 N -0.79 -4.05 -4.37 3.99 3.00 -0.60 -1.37 117.38 113.19 1s7w n GLN 29 Ca -0.04 0.79 -0.24 0.00 -0.01 0.00 0.00 57.00 57.50 1s7w n GLN 29 Cb 0.66 -5.39 -0.09 0.00 0.00 0.00 0.00 30.24 25.42 1s7w n GLN 29 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 1s7w s PHE 30 N -3.08 2.49 -0.27 1.08 -0.71 -1.15 -4.08 117.98 112.26 1s7w s PHE 30 Ca 0.24 -0.28 -0.21 0.00 -1.04 0.00 0.00 56.93 55.65 1s7w s PHE 30 Cb -0.11 -1.12 0.07 0.00 -1.21 0.00 0.00 43.02 40.65 1s7w s PHE 30 CO 0.30 0.63 0.70 -1.58 -1.34 0.00 0.00 175.22 173.94 1s7w s HIS 31 N -2.24 -0.91 0.97 3.49 2.46 -0.91 -1.76 115.29 116.39 1s7w s HIS 31 Ca 0.29 2.02 -0.15 0.00 0.47 0.00 0.00 55.06 57.69 1s7w s HIS 31 Cb -0.06 0.44 0.18 0.00 -0.13 0.00 0.00 32.58 33.00 1s7w s HIS 31 CO 0.16 -0.45 1.19 -1.25 -2.47 0.00 0.00 174.74 171.93 1s7w s PRO 32 N 0.95 0.61 0.55 2.88 0.04 -1.26 -1.24 135.00 137.53 1s7w s PRO 32 Ca -0.05 0.00 0.34 0.00 0.04 0.00 0.00 61.00 61.33 1s7w s PRO 32 Cb -0.05 -1.80 1.42 0.00 0.04 0.00 0.00 34.50 34.11 1s7w s PRO 32 CO -0.08 -2.50 2.01 -1.00 0.04 0.00 0.00 177.00 175.46 1s7w h PRO 33 N -1.71 0.00 -6.46 0.56 0.13 -2.00 -3.43 132.00 119.09 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 0.50 0.02 1.15 -1.58 -0.23 0.00 0.00 178.00 177.87 1s7w s HIS 34 N -3.73 1.85 0.08 1.56 2.46 -1.26 -4.99 115.29 111.27 1s7w s HIS 34 Ca 0.00 -0.17 -0.12 0.00 0.47 0.00 0.00 55.06 55.24 1s7w s HIS 34 Cb 0.09 -4.20 0.02 0.00 -0.13 0.00 0.00 32.58 28.36 1s7w s HIS 34 CO 0.54 -5.10 0.29 -1.50 -2.47 0.00 0.00 174.74 166.50 1s7w s ILE 35 N 3.33 0.10 -0.12 0.89 2.07 -1.26 -4.74 121.20 121.47 1s7w s ILE 35 Ca 0.83 -0.82 0.02 0.00 -1.41 0.00 0.00 60.65 59.27 1s7w s ILE 35 Cb -0.45 -1.12 0.01 0.00 0.13 0.00 0.00 42.46 41.03 1s7w s ILE 35 CO 0.38 -0.45 -0.19 -0.70 -1.91 0.00 0.00 174.94 172.07 1s7w s GLU 36 N -3.27 2.62 -0.17 3.50 2.12 -0.48 -5.02 118.70 118.00 1s7w s GLU 36 Ca 0.00 -0.71 -0.01 0.00 0.36 0.00 0.00 54.97 54.60 1s7w s GLU 36 Cb 0.02 -2.13 0.05 0.00 0.26 0.00 0.00 34.13 32.33 1s7w s GLU 36 CO -0.08 0.00 -0.01 0.42 -0.54 0.00 0.00 175.26 175.05 1s7w s ILE 37 N 0.79 0.84 -0.02 -3.70 1.01 -1.26 -0.46 121.20 118.40 1s7w s ILE 37 Ca -0.09 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.01 1s7w s ILE 37 Cb -0.16 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 1s7w s ILE 37 CO 0.00 -0.01 -0.07 -1.10 0.00 0.00 0.00 174.94 173.76 1s7w s GLN 38 N 1.74 2.62 0.03 2.79 -0.21 -0.28 -5.00 119.66 121.34 1s7w s GLN 38 Ca -0.00 -0.66 -0.01 0.00 0.02 0.00 0.00 55.36 54.71 1s7w s GLN 38 Cb -0.16 -2.53 -0.04 0.00 1.00 0.00 0.00 33.01 31.28 1s7w s GLN 38 CO -0.07 0.62 0.17 -1.64 -2.12 0.00 0.00 175.29 172.25 1s7w s MET 39 N -1.20 3.33 0.01 2.91 -1.94 -1.26 -1.02 119.30 120.12 1s7w s MET 39 Ca 0.15 -0.43 0.03 0.00 -1.71 0.00 0.00 55.69 53.74 1s7w s MET 39 Cb -0.11 -3.00 -0.01 0.00 2.01 0.00 0.00 34.83 33.72 1s7w s MET 39 CO 0.05 0.63 -0.11 -0.51 -0.01 0.00 0.00 175.02 175.08 1s7w s LEU 40 N -2.18 2.07 -0.11 -0.03 1.43 -0.44 -1.32 118.68 118.09 1s7w s LEU 40 Ca 0.30 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 1s7w s LEU 40 Cb -0.13 -0.51 0.01 0.00 0.03 0.00 0.00 46.19 45.60 1s7w s LEU 40 CO 0.22 0.08 -0.17 -0.75 0.23 0.00 0.00 176.35 175.97 1s7w s LYS 41 N -0.51 2.36 -1.57 1.70 2.20 -0.46 -1.59 119.74 121.87 1s7w s LYS 41 Ca 0.02 -0.61 -0.16 0.00 -0.36 0.00 0.00 55.97 54.86 1s7w s LYS 41 Cb -0.05 -1.97 0.13 0.00 -1.51 0.00 0.00 37.83 34.43 1s7w s LYS 41 CO 0.00 -0.04 0.73 0.09 -0.36 0.00 0.00 175.35 175.76 1s7w n ASN 42 N 4.14 -3.50 0.00 1.43 3.02 0.13 -1.04 115.26 119.44 1s7w n ASN 42 Ca -0.19 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 1s7w n ASN 42 Cb 0.51 -2.87 0.00 0.00 -0.61 0.00 0.00 39.78 36.81 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 -1.34 1.44 3.46 7.41 0.00 -1.26 -5.03 105.19 109.87 1s7w n GLY 43 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.49 3.57 -0.48 1.61 2.20 -0.21 -5.02 119.74 120.92 1s7w s LYS 44 Ca 0.00 -0.57 -0.45 0.00 -0.36 0.00 0.00 55.97 54.59 1s7w s LYS 44 Cb 0.00 -2.82 -0.19 0.00 -1.51 0.00 0.00 37.83 33.31 1s7w s LYS 44 CO 0.00 0.25 1.52 1.17 -0.36 0.00 0.00 175.35 177.93 1s7w n LYS 45 N 3.49 0.00 -2.63 4.03 4.81 -1.26 -1.36 118.16 125.25 1s7w n LYS 45 Ca -0.18 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.84 1s7w n LYS 45 Cb 0.53 -1.43 -0.02 0.00 0.02 0.00 0.00 35.03 34.13 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 2.86 4.64 0.06 3.15 1.01 -0.44 -4.87 121.20 127.62 1s7w s ILE 46 Ca 1.00 1.94 -0.21 0.00 0.00 0.00 0.00 60.65 63.38 1s7w s ILE 46 Cb -1.43 -4.25 -0.12 0.00 0.01 0.00 0.00 42.46 36.67 1s7w s ILE 46 CO 0.78 -0.09 1.53 1.55 0.00 0.00 0.00 174.94 178.70 1s7w h PRO 47 N 7.40 0.23 -4.58 2.79 0.13 -1.91 -3.40 132.00 132.66 1s7w h PRO 47 Ca -0.25 -0.06 -0.71 0.00 -0.87 0.00 0.00 66.00 64.10 1s7w h PRO 47 Cb 1.10 -0.03 -0.21 0.00 0.13 0.00 0.00 31.00 32.00 1s7w h PRO 47 CO 0.93 0.42 0.05 0.15 -0.23 0.00 0.00 178.00 179.32 1s7w s LYS 48 N -5.16 3.03 -0.10 0.86 1.02 -1.26 -5.01 119.74 113.13 1s7w s LYS 48 Ca -0.14 -1.39 0.01 0.00 0.02 0.00 0.00 55.97 54.47 1s7w s LYS 48 Cb 0.06 -4.27 0.02 0.00 -0.52 0.00 0.00 37.83 33.11 1s7w s LYS 48 CO 0.71 -1.51 -0.12 0.08 -0.92 0.00 0.00 175.35 173.60 1s7w s VAL 49 N 2.49 1.21 0.15 3.17 1.01 -1.26 -4.72 120.40 122.45 1s7w s VAL 49 Ca 0.10 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 1s7w s VAL 49 Cb -0.25 -1.15 -0.07 0.00 0.00 0.00 0.00 36.38 34.91 1s7w s VAL 49 CO 0.06 0.39 0.62 -1.61 0.00 0.00 0.00 175.10 174.55 1s7w s GLU 50 N 1.12 4.15 -0.16 2.72 0.41 0.31 -4.91 118.70 122.33 1s7w s GLU 50 Ca -0.05 0.70 -0.02 0.00 -0.41 0.00 0.00 54.97 55.19 1s7w s GLU 50 Cb -0.14 -3.00 0.05 0.00 -1.78 0.00 0.00 34.13 29.25 1s7w s GLU 50 CO -0.02 0.49 0.00 1.41 -0.49 0.00 0.00 175.26 176.65 1s7w s MET 51 N -1.73 0.88 1.15 1.61 1.75 -1.26 -0.76 119.30 120.95 1s7w s MET 51 Ca 0.37 -0.36 -0.13 0.00 -1.25 0.00 0.00 55.69 54.32 1s7w s MET 51 Cb -0.17 -1.87 0.27 0.00 2.84 0.00 0.00 34.83 35.91 1s7w s MET 51 CO 0.20 -0.52 1.04 -1.54 -0.65 0.00 0.00 175.02 173.55 1s7w s SER 52 N 1.80 1.14 0.51 1.11 1.04 -0.42 -5.00 113.70 113.90 1s7w s SER 52 Ca 0.01 1.36 -0.17 0.00 0.48 0.00 0.00 55.95 57.62 1s7w s SER 52 Cb -0.16 -2.11 -0.08 0.00 0.10 0.00 0.00 66.02 63.78 1s7w s SER 52 CO -0.07 -4.07 0.99 -1.81 0.98 0.00 0.00 173.24 169.26 1s7w s ASP 53 N -2.79 6.54 -0.09 7.02 1.01 -1.26 -4.79 116.67 122.31 1s7w s ASP 53 Ca 0.68 1.64 -0.33 0.00 0.71 0.00 0.00 52.55 55.24 1s7w s ASP 53 Cb -0.23 -2.52 -0.11 0.00 1.01 0.00 0.00 42.92 41.07 1s7w s ASP 53 CO 0.63 -0.65 1.94 0.80 0.21 0.00 0.00 175.17 178.10 1s7w n MET 54 N -1.49 2.23 -4.25 8.23 0.00 -1.26 -4.88 117.12 115.69 1s7w n MET 54 Ca 0.07 0.80 -0.18 0.00 -0.00 0.00 0.00 57.70 58.40 1s7w n MET 54 Cb 0.54 -2.74 -0.11 0.00 0.00 0.00 0.00 33.22 30.91 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 4.59 2.04 0.09 6.12 0.01 -1.23 -5.05 113.70 120.27 1s7w s SER 55 Ca 0.94 -0.85 0.07 0.00 1.31 0.00 0.00 55.95 57.42 1s7w s SER 55 Cb -0.63 -0.07 -0.03 0.00 0.21 0.00 0.00 66.02 65.49 1s7w s SER 55 CO 0.49 -0.16 -0.18 0.72 0.41 0.00 0.00 173.24 174.52 1s7w s PHE 56 N -2.31 1.58 0.72 2.43 -0.12 -1.26 -1.46 117.98 117.55 1s7w s PHE 56 Ca 0.11 -0.44 -0.08 0.00 -0.05 0.00 0.00 56.93 56.47 1s7w s PHE 56 Cb -0.04 -0.87 0.06 0.00 -0.63 0.00 0.00 43.02 41.54 1s7w s PHE 56 CO 0.03 0.16 1.05 -1.12 -0.05 0.00 0.00 175.22 175.29 1s7w s SER 57 N -1.89 4.85 0.00 1.98 0.01 0.11 -4.93 113.70 113.84 1s7w s SER 57 Ca 0.04 0.60 0.16 0.00 1.31 0.00 0.00 55.95 58.06 1s7w s SER 57 Cb -0.10 -1.26 0.72 0.00 0.21 0.00 0.00 66.02 65.60 1s7w s SER 57 CO 0.04 -1.61 1.50 2.29 0.41 0.00 0.00 173.24 175.87 1s7w n LYS 58 N -2.99 0.06 -0.10 12.44 2.85 -1.26 0.18 118.16 129.34 1s7w n LYS 58 Ca 0.08 0.20 0.10 0.00 -1.05 0.00 0.00 58.31 57.64 1s7w n LYS 58 Cb 0.60 -1.50 0.34 0.00 -0.65 0.00 0.00 35.03 33.82 1s7w n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1s7w n ASP 59 N -1.44 1.86 0.00 -5.58 5.68 -1.26 -4.94 116.55 110.87 1s7w n ASP 59 Ca 0.05 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 1s7w n ASP 59 Cb 0.17 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 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 0.46 0.00 -2.96 2.11 7.02 0.13 -5.04 117.44 119.15 1s7w n TRP 60 Ca 0.16 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.30 1s7w n TRP 60 Cb 0.35 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.18 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 -2.98 6.98 0.44 -0.99 1.04 -1.25 -4.66 113.70 112.29 1s7w s SER 61 Ca 0.00 1.54 -0.02 0.00 0.48 0.00 0.00 55.95 57.94 1s7w s SER 61 Cb 0.00 -2.47 -0.03 0.00 0.10 0.00 0.00 66.02 63.62 1s7w s SER 61 CO 0.00 -0.19 0.70 -0.36 0.98 0.00 0.00 173.24 174.37 1s7w s PHE 62 N -1.90 3.45 0.09 5.02 0.08 -0.72 0.10 117.98 124.10 1s7w s PHE 62 Ca 0.54 0.54 -0.15 0.00 0.12 0.00 0.00 56.93 57.98 1s7w s PHE 62 Cb -0.12 -2.21 0.03 0.00 -0.57 0.00 0.00 43.02 40.14 1s7w s PHE 62 CO 0.18 -0.21 0.35 1.52 -0.10 0.00 0.00 175.22 176.95 1s7w s TYR 63 N -2.59 -0.13 -0.17 0.36 1.13 -0.54 -1.56 117.35 113.86 1s7w s TYR 63 Ca 0.46 -0.14 -0.15 0.00 -1.41 0.00 0.00 57.07 55.82 1s7w s TYR 63 Cb -0.10 0.16 0.04 0.00 -1.10 0.00 0.00 41.96 40.97 1s7w s TYR 63 CO 0.41 -0.62 0.45 0.42 -2.51 0.00 0.00 175.55 173.70 1s7w s ILE 64 N -3.41 -0.00 -0.22 -3.49 1.01 0.67 -3.48 121.20 112.28 1s7w s ILE 64 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 60.65 60.59 1s7w s ILE 64 Cb 0.02 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.83 1s7w s ILE 64 CO -0.09 0.00 0.05 -0.22 0.00 0.00 0.00 174.94 174.69 1s7w s LEU 65 N 0.31 3.49 -0.03 2.97 2.96 -1.26 -1.04 118.68 126.08 1s7w s LEU 65 Ca -0.01 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 1s7w s LEU 65 Cb -0.03 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 1s7w s LEU 65 CO -0.00 0.04 -0.05 0.00 -1.32 0.00 0.00 176.35 175.02 1s7w s ALA 66 N 1.16 3.06 0.09 5.97 0.00 -0.41 -1.30 121.76 130.33 1s7w s ALA 66 Ca 0.04 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 50.95 1s7w s ALA 66 Cb -0.14 -1.22 0.01 0.00 0.00 0.00 0.00 23.12 21.76 1s7w s ALA 66 CO 0.03 0.60 0.24 -3.38 0.00 0.00 0.00 175.76 173.25 1s7w s HIS 67 N -0.93 0.05 0.00 0.00 -0.00 0.06 0.12 115.29 114.59 1s7w s HIS 67 Ca 0.15 -0.42 -0.18 0.00 -0.00 0.00 0.00 55.06 54.62 1s7w s HIS 67 Cb -0.11 0.02 0.03 0.00 -0.00 0.00 0.00 32.58 32.52 1s7w s HIS 67 CO 0.05 -0.56 0.39 -0.08 -0.00 0.00 0.00 174.74 174.54 1s7w s THR 68 N -3.61 0.05 0.49 -5.38 -1.32 -0.49 -0.53 115.64 104.85 1s7w s THR 68 Ca 0.03 -0.42 -0.22 0.00 -1.21 0.00 0.00 61.69 59.87 1s7w s THR 68 Cb 0.03 -0.80 -0.07 0.00 -1.51 0.00 0.00 72.50 70.16 1s7w s THR 68 CO -0.10 -0.23 1.14 -1.61 -2.21 0.00 0.00 174.62 171.61 1s7w s GLU 69 N -1.74 3.64 -0.03 7.08 2.02 -1.26 -0.63 118.70 127.77 1s7w s GLU 69 Ca -0.10 1.69 -0.29 0.00 0.02 0.00 0.00 54.97 56.29 1s7w s GLU 69 Cb -0.03 -2.26 0.10 0.00 0.10 0.00 0.00 34.13 32.04 1s7w s GLU 69 CO 0.03 -0.63 0.84 -0.59 0.02 0.00 0.00 175.26 174.92 1s7w s PHE 70 N -1.64 -0.44 -0.27 1.61 -0.71 -0.87 -4.83 117.98 110.83 1s7w s PHE 70 Ca 0.67 0.52 0.02 0.00 -1.04 0.00 0.00 56.93 57.10 1s7w s PHE 70 Cb -0.26 0.49 0.06 0.00 -1.21 0.00 0.00 43.02 42.10 1s7w s PHE 70 CO 0.31 -0.54 -0.09 0.99 -1.34 0.00 0.00 175.22 174.55 1s7w s THR 71 N -2.27 2.33 0.47 -4.49 2.01 -1.26 -0.16 115.64 112.26 1s7w s THR 71 Ca -0.01 -1.57 -0.24 0.00 0.31 0.00 0.00 61.69 60.18 1s7w s THR 71 Cb -0.01 -2.36 -0.07 0.00 0.01 0.00 0.00 72.50 70.07 1s7w s THR 71 CO -0.03 -0.03 1.38 -2.16 -0.69 0.00 0.00 174.62 173.09 1s7w s PRO 72 N 1.13 3.61 0.42 4.92 0.04 -1.26 -4.85 135.00 139.01 1s7w s PRO 72 Ca -0.08 2.31 0.04 0.00 0.04 0.00 0.00 61.00 63.31 1s7w s PRO 72 Cb -0.20 -2.57 -0.02 0.00 0.04 0.00 0.00 34.50 31.75 1s7w s PRO 72 CO -0.04 -0.84 0.14 0.95 0.04 0.00 0.00 177.00 177.24 1s7w s THR 73 N -1.25 0.56 0.20 1.26 -4.23 -1.26 -1.50 115.64 109.43 1s7w s THR 73 Ca 0.63 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.36 1s7w s THR 73 Cb -0.41 -2.31 0.20 0.00 1.34 0.00 0.00 72.50 71.32 1s7w s THR 73 CO 0.52 0.00 1.84 -0.08 -0.54 0.00 0.00 174.62 176.36 1s7w h GLU 74 N 1.75 0.00 0.00 3.99 4.81 -1.98 -3.38 114.58 119.77 1s7w h GLU 74 Ca -0.35 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.80 1s7w h GLU 74 Cb 1.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1s7w h GLU 74 CO 0.56 0.27 -1.31 2.41 -0.73 0.00 0.00 179.01 180.20 1s7w n THR 75 N -3.51 0.31 -2.31 0.32 -1.04 -1.26 -5.00 114.28 101.79 1s7w n THR 75 Ca -0.00 -0.14 -0.39 0.00 -2.04 0.00 0.00 64.05 61.48 1s7w n THR 75 Cb 0.42 -0.75 -0.03 0.00 -1.82 0.00 0.00 70.33 68.15 1s7w n THR 75 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1s7w s ASP 76 N -4.22 6.72 0.05 8.00 1.01 -1.26 -5.06 116.67 121.92 1s7w s ASP 76 Ca -0.06 2.38 0.09 0.00 0.71 0.00 0.00 52.55 55.66 1s7w s ASP 76 Cb 0.02 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 1s7w s ASP 76 CO 0.14 -0.54 -0.24 0.28 0.21 0.00 0.00 175.17 175.03 1s7w s THR 77 N -1.33 1.93 0.14 -1.27 -1.32 -1.26 -4.75 115.64 107.79 1s7w s THR 77 Ca 0.53 -1.34 0.11 0.00 -1.21 0.00 0.00 61.69 59.77 1s7w s THR 77 Cb -0.32 -1.67 -0.04 0.00 -1.51 0.00 0.00 72.50 68.96 1s7w s THR 77 CO 0.41 0.26 -0.24 -0.31 -2.21 0.00 0.00 174.62 172.53 1s7w s TYR 78 N -0.84 2.37 0.31 9.09 1.51 -1.26 -0.69 117.35 127.85 1s7w s TYR 78 Ca 0.10 -0.34 -0.16 0.00 -1.01 0.00 0.00 57.07 55.66 1s7w s TYR 78 Cb -0.09 -1.25 0.02 0.00 -0.11 0.00 0.00 41.96 40.53 1s7w s TYR 78 CO 0.02 0.39 0.66 0.00 -1.11 0.00 0.00 175.55 175.51 1s7w s ALA 79 N -1.22 -0.64 -0.03 3.71 0.00 -0.62 -1.19 121.76 121.76 1s7w s ALA 79 Ca 0.17 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.44 1s7w s ALA 79 Cb -0.10 0.88 0.02 0.00 0.00 0.00 0.00 23.12 23.92 1s7w s ALA 79 CO 0.08 -0.96 -0.04 0.00 0.00 0.00 0.00 175.76 174.85 1s7w s ARG 81 N 0.66 3.09 -0.14 0.00 3.52 -0.19 -0.48 118.95 125.42 1s7w s ARG 81 Ca -0.08 -0.82 0.02 0.00 -0.13 0.00 0.00 55.73 54.71 1s7w s ARG 81 Cb -0.11 -2.47 0.01 0.00 -1.56 0.00 0.00 34.95 30.82 1s7w s ARG 81 CO -0.00 0.03 -0.19 0.08 -0.81 0.00 0.00 175.30 174.41 1s7w s VAL 82 N 0.72 1.83 -0.10 7.11 1.01 0.58 -1.13 120.40 130.43 1s7w s VAL 82 Ca -0.09 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1s7w s VAL 82 Cb -0.16 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 1s7w s VAL 82 CO 0.01 0.51 -0.12 -0.75 0.00 0.00 0.00 175.10 174.74 1s7w s LYS 83 N 1.01 3.01 -0.05 2.72 2.20 0.39 -1.41 119.74 127.62 1s7w s LYS 83 Ca -0.04 -0.67 -0.31 0.00 -0.36 0.00 0.00 55.97 54.60 1s7w s LYS 83 Cb -0.15 -2.55 0.07 0.00 -1.51 0.00 0.00 37.83 33.69 1s7w s LYS 83 CO -0.04 0.41 0.67 -1.58 -0.36 0.00 0.00 175.35 174.46 1s7w s HIS 84 N -0.17 -0.65 -0.62 4.03 2.46 -1.26 -1.38 115.29 117.70 1s7w s HIS 84 Ca 0.00 1.12 0.19 0.00 0.47 0.00 0.00 55.06 56.84 1s7w s HIS 84 Cb -0.13 0.41 0.83 0.00 -0.13 0.00 0.00 32.58 33.55 1s7w s HIS 84 CO 0.03 -0.61 1.58 -0.25 -2.47 0.00 0.00 174.74 173.02 1s7w n ASP 85 N 0.91 0.42 0.26 9.88 8.00 -1.26 -1.89 116.55 132.86 1s7w n ASP 85 Ca -0.19 0.62 0.17 0.00 0.71 0.00 0.00 54.79 56.10 1s7w n ASP 85 Cb 0.57 -0.70 0.75 0.00 -0.02 0.00 0.00 41.12 41.72 1s7w n ASP 85 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1s7w h SER 86 N 0.00 0.00 -3.25 -2.24 4.64 -1.88 -3.44 113.55 107.38 1s7w h SER 86 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 1s7w h SER 86 Cb 0.25 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 61.99 1s7w h SER 86 CO 0.00 0.00 -0.84 -0.04 -0.87 0.00 0.00 176.83 175.08 1s7w s MET 87 N -3.69 2.37 0.29 4.77 -1.94 -0.80 -4.91 119.30 115.38 1s7w s MET 87 Ca 0.00 -0.61 -0.03 0.00 -1.71 0.00 0.00 55.69 53.34 1s7w s MET 87 Cb 0.10 -1.99 0.41 0.00 2.01 0.00 0.00 34.83 35.36 1s7w s MET 87 CO 0.47 -0.05 1.95 0.00 -0.01 0.00 0.00 175.02 177.37 1s7w h ALA 88 N 7.40 1.39 -2.71 3.03 0.00 -1.85 -3.43 119.26 123.10 1s7w h ALA 88 Ca -0.31 -0.05 -0.61 0.00 0.00 0.00 0.00 54.91 53.93 1s7w h ALA 88 Cb 1.18 -0.34 -0.14 0.00 0.00 0.00 0.00 17.79 18.49 1s7w h ALA 88 CO 0.50 0.55 -0.73 -1.21 0.00 0.00 0.00 179.25 178.36 1s7w s GLU 89 N -5.98 1.94 1.01 0.00 0.41 -1.26 -5.08 118.70 109.74 1s7w s GLU 89 Ca -0.12 -1.44 -0.11 0.00 -0.41 0.00 0.00 54.97 52.88 1s7w s GLU 89 Cb 0.18 -2.03 0.18 0.00 -1.78 0.00 0.00 34.13 30.68 1s7w s GLU 89 CO 0.80 0.39 0.98 -2.30 -0.49 0.00 0.00 175.26 174.65 1s7w n PRO 90 N -0.25 -1.09 -4.68 0.39 -0.02 -1.26 -4.86 135.00 123.22 1s7w n PRO 90 Ca -0.09 -0.27 -0.25 0.00 -2.02 0.00 0.00 63.50 60.87 1s7w n PRO 90 Cb 0.57 -2.23 -0.16 0.00 -0.02 0.00 0.00 33.50 31.65 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 -4.41 1.72 -0.10 -0.52 2.20 -0.50 -4.95 119.74 113.18 1s7w s LYS 91 Ca 0.66 -0.49 0.03 0.00 -0.36 0.00 0.00 55.97 55.81 1s7w s LYS 91 Cb -0.23 -1.45 -0.00 0.00 -1.51 0.00 0.00 37.83 34.64 1s7w s LYS 91 CO 0.61 0.12 -0.22 0.99 -0.36 0.00 0.00 175.35 176.49 1s7w s THR 92 N 0.38 2.21 0.02 3.43 2.01 -1.26 -0.31 115.64 122.12 1s7w s THR 92 Ca -0.10 -0.97 0.06 0.00 0.31 0.00 0.00 61.69 61.00 1s7w s THR 92 Cb -0.14 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 1s7w s THR 92 CO 0.03 0.55 -0.19 0.68 -0.69 0.00 0.00 174.62 175.01 1s7w s VAL 93 N 0.34 1.48 -0.09 3.82 -7.23 0.37 -4.94 120.40 114.15 1s7w s VAL 93 Ca -0.18 -1.02 -0.12 0.00 -1.81 0.00 0.00 61.98 58.86 1s7w s VAL 93 Cb -0.18 -1.28 -0.05 0.00 0.56 0.00 0.00 36.38 35.44 1s7w s VAL 93 CO 0.08 0.24 0.28 -0.31 -0.31 0.00 0.00 175.10 175.08 1s7w s TYR 94 N -0.68 3.61 0.10 2.82 2.02 -1.26 -0.03 117.35 123.93 1s7w s TYR 94 Ca 0.06 0.72 -0.31 0.00 -0.37 0.00 0.00 57.07 57.17 1s7w s TYR 94 Cb -0.08 -2.18 -0.09 0.00 -0.40 0.00 0.00 41.96 39.21 1s7w s TYR 94 CO 0.01 0.57 1.71 -0.46 -1.57 0.00 0.00 175.55 175.81 1s7w s TRP 95 N -0.64 2.38 -0.19 2.71 -0.00 -0.33 -4.85 118.94 118.02 1s7w s TRP 95 Ca 0.18 0.22 0.00 0.00 -0.00 0.00 0.00 56.10 56.50 1s7w s TRP 95 Cb -0.14 -4.04 0.01 0.00 -0.00 0.00 0.00 33.47 29.30 1s7w s TRP 95 CO 0.07 -4.21 -0.17 0.34 -0.00 0.00 0.00 176.95 172.99 1s7w s ASP 96 N 2.41 3.38 0.34 5.86 -1.08 -1.26 -4.76 116.67 121.56 1s7w s ASP 96 Ca 0.76 -0.59 0.25 0.00 -0.52 0.00 0.00 52.55 52.45 1s7w s ASP 96 Cb -0.42 -1.53 1.21 0.00 -1.46 0.00 0.00 42.92 40.71 1s7w s ASP 96 CO 0.34 -0.00 1.75 0.08 0.52 0.00 0.00 175.17 177.86 1s7w h ARG 97 N 7.95 0.00 -0.03 4.34 0.11 -1.95 -3.48 114.38 121.33 1s7w h ARG 97 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 1s7w h ARG 97 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 1s7w h ARG 97 CO 0.63 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.45