#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7v s GLN 2 N 0.00 4.54 0.01 9.51 -0.21 -1.26 -4.74 119.66 127.51 1s7v s GLN 2 Ca 0.00 1.86 0.04 0.00 0.02 0.00 0.00 55.36 57.28 1s7v s GLN 2 Cb 0.00 -3.21 -0.01 0.00 1.00 0.00 0.00 33.01 30.78 1s7v s GLN 2 CO 0.00 0.02 -0.11 0.15 -2.12 0.00 0.00 175.29 173.23 1s7v s LYS 3 N -0.80 0.85 0.30 2.91 1.02 -0.71 -4.93 119.74 118.38 1s7v s LYS 3 Ca 0.49 -0.53 -0.23 0.00 0.02 0.00 0.00 55.97 55.73 1s7v s LYS 3 Cb -0.33 -0.82 -0.09 0.00 -0.52 0.00 0.00 37.83 36.07 1s7v s LYS 3 CO 0.39 0.22 0.86 0.99 -0.92 0.00 0.00 175.35 176.89 1s7v s THR 4 N -0.52 4.37 0.20 2.17 2.01 -1.26 -2.19 115.64 120.41 1s7v s THR 4 Ca 0.02 1.58 -0.30 0.00 0.31 0.00 0.00 61.69 63.30 1s7v s THR 4 Cb -0.06 -3.91 -0.08 0.00 0.01 0.00 0.00 72.50 68.46 1s7v s THR 4 CO 0.00 0.12 1.20 -2.16 -0.69 0.00 0.00 174.62 173.08 1s7v s PRO 5 N -2.15 4.50 0.01 4.92 0.04 -1.26 -3.89 135.00 137.17 1s7v s PRO 5 Ca 0.49 1.88 -0.07 0.00 0.04 0.00 0.00 61.00 63.34 1s7v s PRO 5 Cb -0.17 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 1s7v s PRO 5 CO 0.22 -0.07 0.27 -0.65 0.04 0.00 0.00 177.00 176.80 1s7v s GLN 6 N -0.36 3.58 -0.03 4.56 -1.52 -0.20 -4.93 119.66 120.76 1s7v s GLN 6 Ca 0.52 -0.07 0.03 0.00 -1.95 0.00 0.00 55.36 53.89 1s7v s GLN 6 Cb -0.33 -3.08 0.00 0.00 -0.22 0.00 0.00 33.01 29.38 1s7v s GLN 6 CO 0.37 0.65 -0.13 0.42 -0.25 0.00 0.00 175.29 176.35 1s7v s ILE 7 N -1.30 1.08 -0.06 1.08 1.01 -1.26 -0.44 121.20 121.30 1s7v s ILE 7 Ca 0.27 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.45 1s7v s ILE 7 Cb -0.13 -0.94 -0.00 0.00 0.01 0.00 0.00 42.46 41.40 1s7v s ILE 7 CO 0.16 0.32 -0.22 -1.10 0.00 0.00 0.00 174.94 174.11 1s7v s GLN 8 N 0.13 2.37 -0.07 2.79 -0.21 -0.44 -5.00 119.66 119.23 1s7v s GLN 8 Ca -0.03 -0.78 0.03 0.00 0.02 0.00 0.00 55.36 54.60 1s7v s GLN 8 Cb -0.10 -1.96 -0.02 0.00 1.00 0.00 0.00 33.01 31.93 1s7v s GLN 8 CO 0.01 0.27 -0.15 0.08 -2.12 0.00 0.00 175.29 173.38 1s7v s VAL 9 N 0.07 2.94 0.00 1.09 1.01 -1.26 -0.95 120.40 123.30 1s7v s VAL 9 Ca -0.08 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1s7v s VAL 9 Cb -0.14 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.08 1s7v s VAL 9 CO 0.04 0.57 0.00 0.00 0.00 0.00 0.00 175.10 175.72 1s7v n TYR 10 N 2.67 0.00 -3.94 5.22 4.11 -0.62 -4.59 117.16 120.01 1s7v n TYR 10 Ca -0.17 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.40 1s7v n TYR 10 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.81 1s7v n TYR 10 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 1s7v s SER 11 N 0.00 6.22 0.18 9.48 1.04 -1.26 -0.19 113.70 129.17 1s7v s SER 11 Ca 0.00 0.28 -0.13 0.00 0.48 0.00 0.00 55.95 56.58 1s7v s SER 11 Cb 0.00 -1.91 0.12 0.00 0.10 0.00 0.00 66.02 64.33 1s7v s SER 11 CO 0.00 0.24 1.82 -0.09 0.98 0.00 0.00 173.24 176.19 1s7v h ARG 12 N 3.67 0.66 -6.60 4.02 2.43 -1.48 -3.44 114.38 113.64 1s7v h ARG 12 Ca -0.48 -0.04 -0.65 0.00 -0.81 0.00 0.00 59.98 58.00 1s7v h ARG 12 Cb 1.18 -0.15 -0.18 0.00 -0.42 0.00 0.00 29.97 30.41 1s7v h ARG 12 CO 0.69 0.43 -0.80 -1.01 -1.51 0.00 0.00 179.97 177.78 1s7v s HIS 13 N -6.14 2.42 -0.25 2.20 3.76 -1.26 -5.04 115.29 110.99 1s7v s HIS 13 Ca -0.13 -0.31 -0.40 0.00 -0.15 0.00 0.00 55.06 54.07 1s7v s HIS 13 Cb 0.13 -1.21 -0.16 0.00 1.11 0.00 0.00 32.58 32.45 1s7v s HIS 13 CO 0.75 0.48 1.66 -2.30 -0.85 0.00 0.00 174.74 174.48 1s7v n PRO 14 N 0.31 1.02 -2.48 8.40 -0.02 -1.26 -4.86 135.00 136.12 1s7v n PRO 14 Ca -0.13 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.30 1s7v n PRO 14 Cb 0.55 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 1s7v n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1s7v s PRO 15 N 3.01 4.34 -0.00 0.52 0.04 -1.26 -5.04 135.00 136.61 1s7v s PRO 15 Ca 0.97 1.64 0.08 0.00 0.04 0.00 0.00 61.00 63.73 1s7v s PRO 15 Cb -1.10 -3.58 -0.02 0.00 0.04 0.00 0.00 34.50 29.84 1s7v s PRO 15 CO 0.65 -0.47 -0.25 -2.00 0.04 0.00 0.00 177.00 174.97 1s7v s GLU 16 N 2.35 1.98 0.36 4.56 2.12 -1.26 -5.13 118.70 123.68 1s7v s GLU 16 Ca 0.55 -0.95 -0.28 0.00 0.36 0.00 0.00 54.97 54.65 1s7v s GLU 16 Cb -0.24 -1.97 -0.10 0.00 0.26 0.00 0.00 34.13 32.08 1s7v s GLU 16 CO 0.21 0.53 1.40 -0.80 -0.54 0.00 0.00 175.26 176.06 1s7v s ASN 17 N -0.74 6.52 -1.12 -1.70 0.01 -1.26 -2.89 114.94 113.76 1s7v s ASN 17 Ca 0.10 2.87 0.00 0.00 -0.71 0.00 0.00 52.86 55.12 1s7v s ASN 17 Cb -0.10 -2.66 0.00 0.00 0.41 0.00 0.00 41.25 38.90 1s7v s ASN 17 CO -0.00 -0.73 0.00 0.61 -1.51 0.00 0.00 177.10 175.47 1s7v n GLY 18 N 0.62 1.17 2.85 0.66 0.00 -0.71 -5.00 105.19 104.77 1s7v n GLY 18 Ca 0.01 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 1s7v n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s7v s LYS 19 N -2.93 1.22 -0.02 1.61 2.20 -1.14 -5.02 119.74 115.66 1s7v s LYS 19 Ca 0.00 -0.54 -0.33 0.00 -0.36 0.00 0.00 55.97 54.74 1s7v s LYS 19 Cb 0.00 -2.07 -0.16 0.00 -1.51 0.00 0.00 37.83 34.09 1s7v s LYS 19 CO 0.00 -0.51 0.89 -2.30 -0.36 0.00 0.00 175.35 173.08 1s7v n PRO 20 N 4.90 0.00 -4.03 4.03 -0.02 -1.26 -4.36 135.00 134.26 1s7v n PRO 20 Ca -0.11 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.22 1s7v n PRO 20 Cb 0.47 -1.23 -0.03 0.00 -0.02 0.00 0.00 33.50 32.69 1s7v n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1s7v n ASN 21 N 1.31 -1.44 -4.23 2.55 2.85 0.03 -5.01 115.26 111.31 1s7v n ASN 21 Ca 0.17 -2.93 -0.26 0.00 -0.11 0.00 0.00 54.58 51.45 1s7v n ASN 21 Cb 0.06 2.67 -0.15 0.00 1.24 0.00 0.00 39.78 43.60 1s7v n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1s7v s ILE 22 N -2.79 1.64 -0.14 -1.44 -1.09 -1.26 -1.64 121.20 114.49 1s7v s ILE 22 Ca 0.29 -1.02 -0.02 0.00 -2.23 0.00 0.00 60.65 57.67 1s7v s ILE 22 Cb -0.01 -1.39 -0.02 0.00 -1.58 0.00 0.00 42.46 39.45 1s7v s ILE 22 CO 0.21 0.34 -0.07 -0.22 -1.23 0.00 0.00 174.94 173.98 1s7v s LEU 23 N -0.79 3.10 -0.08 2.97 2.96 -0.17 -1.08 118.68 125.59 1s7v s LEU 23 Ca 0.08 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 1s7v s LEU 23 Cb -0.08 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 1s7v s LEU 23 CO 0.00 0.20 -0.07 0.20 -1.32 0.00 0.00 176.35 175.36 1s7v s ASN 24 N 0.19 4.63 -0.29 3.68 0.01 0.73 -1.89 114.94 122.01 1s7v s ASN 24 Ca -0.04 -0.04 0.02 0.00 -0.71 0.00 0.00 52.86 52.09 1s7v s ASN 24 Cb -0.14 -1.24 0.08 0.00 0.41 0.00 0.00 41.25 40.36 1s7v s ASN 24 CO 0.03 0.34 0.01 0.00 -1.51 0.00 0.00 177.10 175.97 1s7v s TYR 26 N 1.25 3.23 -0.16 0.00 5.04 -0.12 -1.56 117.35 125.03 1s7v s TYR 26 Ca 0.03 -0.25 -0.01 0.00 -2.44 0.00 0.00 57.07 54.39 1s7v s TYR 26 Cb -0.19 -2.55 -0.01 0.00 0.35 0.00 0.00 41.96 39.56 1s7v s TYR 26 CO -0.11 -0.43 -0.10 0.08 -1.34 0.00 0.00 175.55 173.66 1s7v s VAL 27 N 1.79 3.21 0.23 3.14 1.01 -0.60 -1.33 120.40 127.85 1s7v s VAL 27 Ca 0.07 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1s7v s VAL 27 Cb -0.18 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1s7v s VAL 27 CO 0.11 0.50 0.08 0.42 0.00 0.00 0.00 175.10 176.21 1s7v s THR 28 N 0.63 0.46 -1.49 3.92 -4.23 0.41 -1.55 115.64 113.80 1s7v s THR 28 Ca -0.06 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 1s7v s THR 28 Cb -0.15 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.19 1s7v s THR 28 CO 0.03 -0.10 0.00 0.00 -0.54 0.00 0.00 174.62 174.01 1s7v n GLN 29 N -0.38 -1.30 -4.01 3.99 6.02 -0.45 -1.03 117.38 120.22 1s7v n GLN 29 Ca -0.01 0.86 -0.29 0.00 -0.01 0.00 0.00 57.00 57.55 1s7v n GLN 29 Cb 0.66 -5.25 -0.05 0.00 1.02 0.00 0.00 30.24 26.61 1s7v n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1s7v s PHE 30 N -2.80 3.31 -0.19 1.08 -0.12 -1.25 -4.01 117.98 114.00 1s7v s PHE 30 Ca 0.00 0.10 -0.15 0.00 -0.05 0.00 0.00 56.93 56.83 1s7v s PHE 30 Cb 0.00 -1.64 0.06 0.00 -0.63 0.00 0.00 43.02 40.81 1s7v s PHE 30 CO 0.00 0.54 0.50 -1.58 -0.05 0.00 0.00 175.22 174.63 1s7v s HIS 31 N -1.57 -0.63 0.91 3.49 2.46 -0.93 -3.79 115.29 115.22 1s7v s HIS 31 Ca 0.32 1.43 -0.14 0.00 0.47 0.00 0.00 55.06 57.13 1s7v s HIS 31 Cb -0.12 0.26 0.15 0.00 -0.13 0.00 0.00 32.58 32.75 1s7v s HIS 31 CO 0.25 -0.32 1.24 -1.25 -2.47 0.00 0.00 174.74 172.19 1s7v s PRO 32 N 0.75 1.14 0.49 2.88 0.04 -1.26 -1.74 135.00 137.29 1s7v s PRO 32 Ca -0.04 -0.13 0.24 0.00 0.04 0.00 0.00 61.00 61.12 1s7v s PRO 32 Cb -0.05 -1.88 1.27 0.00 0.04 0.00 0.00 34.50 33.89 1s7v s PRO 32 CO -0.06 -2.12 2.01 -1.35 0.04 0.00 0.00 177.00 175.52 1s7v h PRO 33 N -1.43 0.00 -6.13 0.56 0.11 -2.00 -3.44 132.00 119.66 1s7v h PRO 33 Ca -0.46 0.00 -0.72 0.00 0.11 0.00 0.00 66.00 64.93 1s7v h PRO 33 Cb 1.28 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.40 1s7v h PRO 33 CO 0.51 0.16 0.99 1.58 -0.21 0.00 0.00 178.00 181.04 1s7v n HIS 34 N -3.71 2.00 -3.50 0.65 -0.00 -1.26 -4.95 115.22 104.45 1s7v n HIS 34 Ca -0.02 0.47 -0.16 0.00 0.46 0.00 0.00 57.72 58.48 1s7v n HIS 34 Cb 0.28 -2.48 -0.05 0.00 -0.12 0.00 0.00 29.99 27.62 1s7v n HIS 34 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 1s7v s ILE 35 N 4.11 0.00 -0.05 3.57 2.07 -1.26 -4.66 121.20 124.99 1s7v s ILE 35 Ca 1.00 -0.04 0.05 0.00 -1.41 0.00 0.00 60.65 60.25 1s7v s ILE 35 Cb -1.03 -0.99 -0.01 0.00 0.13 0.00 0.00 42.46 40.56 1s7v s ILE 35 CO 0.63 -0.02 -0.20 -1.61 -1.91 0.00 0.00 174.94 171.83 1s7v s GLU 36 N -2.05 2.05 -0.09 3.50 2.02 -0.62 -5.02 118.70 118.49 1s7v s GLU 36 Ca -0.07 -0.72 -0.02 0.00 0.02 0.00 0.00 54.97 54.18 1s7v s GLU 36 Cb -0.00 -1.77 0.04 0.00 0.10 0.00 0.00 34.13 32.49 1s7v s GLU 36 CO 0.02 0.31 0.03 0.42 0.02 0.00 0.00 175.26 176.05 1s7v s ILE 37 N -0.07 0.26 -0.03 -1.63 1.01 -1.26 -0.79 121.20 118.69 1s7v s ILE 37 Ca -0.03 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.69 1s7v s ILE 37 Cb -0.12 -0.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.78 1s7v s ILE 37 CO 0.03 0.12 -0.07 -1.10 0.00 0.00 0.00 174.94 173.91 1s7v s GLN 38 N 2.01 2.64 -0.01 2.79 -0.21 0.80 -4.96 119.66 122.72 1s7v s GLN 38 Ca 0.04 -0.64 0.01 0.00 0.02 0.00 0.00 55.36 54.79 1s7v s GLN 38 Cb -0.13 -2.54 -0.04 0.00 1.00 0.00 0.00 33.01 31.30 1s7v s GLN 38 CO -0.06 0.63 -0.01 -1.64 -2.12 0.00 0.00 175.29 172.10 1s7v s MET 39 N -1.12 2.78 0.01 2.91 -1.94 -1.26 -0.38 119.30 120.31 1s7v s MET 39 Ca 0.15 -0.60 0.02 0.00 -1.71 0.00 0.00 55.69 53.55 1s7v s MET 39 Cb -0.11 -2.66 -0.01 0.00 2.01 0.00 0.00 34.83 34.06 1s7v s MET 39 CO 0.05 0.63 -0.06 -0.51 -0.01 0.00 0.00 175.02 175.11 1s7v s LEU 40 N -1.47 2.10 -0.09 -0.03 1.43 0.75 -1.08 118.68 120.30 1s7v s LEU 40 Ca 0.19 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1s7v s LEU 40 Cb -0.11 -0.24 0.02 0.00 0.03 0.00 0.00 46.19 45.89 1s7v s LEU 40 CO 0.09 -0.03 -0.07 -0.75 0.23 0.00 0.00 176.35 175.81 1s7v s LYS 41 N -0.68 1.35 -1.70 1.70 2.20 -0.59 -0.79 119.74 121.23 1s7v s LYS 41 Ca -0.02 -0.22 -0.18 0.00 -0.36 0.00 0.00 55.97 55.19 1s7v s LYS 41 Cb -0.05 -1.37 0.15 0.00 -1.51 0.00 0.00 37.83 35.05 1s7v s LYS 41 CO 0.00 -0.19 0.79 0.09 -0.36 0.00 0.00 175.35 175.68 1s7v n ASN 42 N 4.62 -3.30 0.00 1.43 3.02 -0.94 -1.44 115.26 118.65 1s7v n ASN 42 Ca -0.15 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 1s7v n ASN 42 Cb 0.50 -2.80 0.00 0.00 -0.61 0.00 0.00 39.78 36.88 1s7v n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s7v n GLY 43 N -1.42 1.06 3.72 7.41 0.00 -1.26 -5.02 105.19 109.68 1s7v n GLY 43 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1s7v n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s7v s LYS 44 N -0.01 3.19 0.07 1.61 2.47 -0.52 -5.04 119.74 121.51 1s7v s LYS 44 Ca 0.00 -0.34 -0.37 0.00 -1.56 0.00 0.00 55.97 53.71 1s7v s LYS 44 Cb 0.00 -2.93 -0.17 0.00 -1.46 0.00 0.00 37.83 33.27 1s7v s LYS 44 CO 0.00 0.68 1.36 1.63 0.16 0.00 0.00 175.35 179.17 1s7v n LYS 45 N 2.25 1.14 -2.80 4.03 5.02 -1.26 -1.54 118.16 124.99 1s7v n LYS 45 Ca -0.19 0.41 -0.41 0.00 -2.02 0.00 0.00 58.31 56.11 1s7v n LYS 45 Cb 0.54 -2.06 -0.05 0.00 -0.02 0.00 0.00 35.03 33.44 1s7v n LYS 45 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1s7v s ILE 46 N 0.63 4.53 0.01 -0.18 1.01 -0.24 -4.82 121.20 122.14 1s7v s ILE 46 Ca 0.85 1.95 -0.02 0.00 0.00 0.00 0.00 60.65 63.43 1s7v s ILE 46 Cb -0.96 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 37.23 1s7v s ILE 46 CO 0.48 0.34 1.04 1.55 0.00 0.00 0.00 174.94 178.35 1s7v h PRO 47 N 5.48 -0.05 -2.75 2.79 0.13 -1.92 -3.37 132.00 132.31 1s7v h PRO 47 Ca -0.43 0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 63.91 1s7v h PRO 47 Cb 1.21 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 32.12 1s7v h PRO 47 CO 0.71 -0.04 1.37 1.17 -0.23 0.00 0.00 178.00 180.98 1s7v n LYS 48 N -2.63 4.67 -2.58 0.86 4.81 -1.26 -4.95 118.16 117.09 1s7v n LYS 48 Ca -0.01 -4.22 -0.41 0.00 -0.87 0.00 0.00 58.31 52.80 1s7v n LYS 48 Cb 0.03 -2.59 -0.03 0.00 0.02 0.00 0.00 35.03 32.46 1s7v n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1s7v s VAL 49 N -2.46 3.81 0.23 3.15 1.01 -1.26 -4.53 120.40 120.36 1s7v s VAL 49 Ca 0.39 0.45 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 1s7v s VAL 49 Cb 0.13 -4.87 -0.09 0.00 0.00 0.00 0.00 36.38 31.55 1s7v s VAL 49 CO -0.02 -1.74 1.07 -1.61 0.00 0.00 0.00 175.10 172.80 1s7v s GLU 50 N 5.49 4.65 -0.03 2.72 0.41 0.34 -4.91 118.70 127.37 1s7v s GLU 50 Ca 0.36 1.72 0.04 0.00 -0.41 0.00 0.00 54.97 56.68 1s7v s GLU 50 Cb -0.08 -3.24 -0.03 0.00 -1.78 0.00 0.00 34.13 29.00 1s7v s GLU 50 CO 0.17 0.20 -0.14 1.41 -0.49 0.00 0.00 175.26 176.41 1s7v s MET 51 N -0.96 2.44 0.71 1.61 1.75 -1.26 -1.16 119.30 122.44 1s7v s MET 51 Ca 0.46 -0.74 -0.07 0.00 -1.25 0.00 0.00 55.69 54.09 1s7v s MET 51 Cb -0.30 -2.36 0.06 0.00 2.84 0.00 0.00 34.83 35.07 1s7v s MET 51 CO 0.37 0.61 1.03 -1.54 -0.65 0.00 0.00 175.02 174.84 1s7v s SER 52 N -0.91 4.82 0.28 1.11 1.04 -0.09 -5.00 113.70 114.96 1s7v s SER 52 Ca 0.13 0.50 -0.29 0.00 0.48 0.00 0.00 55.95 56.76 1s7v s SER 52 Cb -0.11 -1.15 -0.10 0.00 0.10 0.00 0.00 66.02 64.77 1s7v s SER 52 CO 0.02 -1.61 1.25 -1.81 0.98 0.00 0.00 173.24 172.07 1s7v s ASP 53 N -4.51 6.94 -0.48 7.02 1.01 -1.26 -4.77 116.67 120.61 1s7v s ASP 53 Ca 0.60 2.50 -0.27 0.00 0.71 0.00 0.00 52.55 56.09 1s7v s ASP 53 Cb -0.11 -2.63 -0.08 0.00 1.01 0.00 0.00 42.92 41.11 1s7v s ASP 53 CO 0.45 -0.42 2.40 0.80 0.21 0.00 0.00 175.17 178.61 1s7v n MET 54 N 1.36 1.10 -4.37 8.23 0.00 -1.26 -4.82 117.12 117.36 1s7v n MET 54 Ca 0.01 0.09 -0.30 0.00 -0.00 0.00 0.00 57.70 57.51 1s7v n MET 54 Cb 0.43 -3.20 -0.05 0.00 0.00 0.00 0.00 33.22 30.40 1s7v n MET 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1s7v s SER 55 N 11.11 4.34 0.12 6.12 0.15 -1.13 -5.01 113.70 129.40 1s7v s SER 55 Ca 1.02 -1.44 -0.19 0.00 0.70 0.00 0.00 55.95 56.04 1s7v s SER 55 Cb -0.33 0.37 0.05 0.00 -1.71 0.00 0.00 66.02 64.40 1s7v s SER 55 CO 0.31 -0.91 0.48 0.72 1.20 0.00 0.00 173.24 175.04 1s7v s PHE 56 N -2.81 -0.34 0.68 3.44 -0.12 -1.26 -0.80 117.98 116.77 1s7v s PHE 56 Ca 0.20 0.11 -0.03 0.00 -0.05 0.00 0.00 56.93 57.16 1s7v s PHE 56 Cb 0.01 0.36 0.08 0.00 -0.63 0.00 0.00 43.02 42.84 1s7v s PHE 56 CO 0.12 -0.73 0.96 -1.54 -0.05 0.00 0.00 175.22 173.97 1s7v s SER 57 N -2.66 4.67 0.37 1.98 1.04 0.40 -4.92 113.70 114.59 1s7v s SER 57 Ca 0.01 0.03 0.28 0.00 0.48 0.00 0.00 55.95 56.75 1s7v s SER 57 Cb 0.01 -0.62 1.14 0.00 0.10 0.00 0.00 66.02 66.65 1s7v s SER 57 CO -0.11 -1.63 1.82 0.11 0.98 0.00 0.00 173.24 174.41 1s7v h LYS 58 N -0.45 0.00 -0.48 4.02 6.56 -2.03 0.10 116.57 124.30 1s7v h LYS 58 Ca -0.41 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.18 1s7v h LYS 58 Cb 1.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.95 1s7v h LYS 58 CO 0.50 0.00 0.00 -0.40 -2.06 0.00 0.00 179.45 177.49 1s7v n ASP 59 N -2.57 2.10 0.00 0.86 3.85 -1.26 -4.91 116.55 114.61 1s7v n ASP 59 Ca 0.02 -2.13 0.00 0.00 -0.71 0.00 0.00 54.79 51.97 1s7v n ASP 59 Cb 0.26 -0.33 0.00 0.00 -1.35 0.00 0.00 41.12 39.70 1s7v n ASP 59 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 1s7v n TRP 60 N 0.36 0.00 -2.47 2.11 7.02 0.36 -5.02 117.44 119.80 1s7v n TRP 60 Ca 0.11 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.18 1s7v n TRP 60 Cb 0.39 -0.02 -0.04 0.00 -2.42 0.00 0.00 31.31 29.22 1s7v n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1s7v s SER 61 N -3.41 7.20 0.51 -0.99 1.04 -1.26 -4.71 113.70 112.08 1s7v s SER 61 Ca 0.00 2.12 -0.17 0.00 0.48 0.00 0.00 55.95 58.38 1s7v s SER 61 Cb 0.00 -2.60 -0.08 0.00 0.10 0.00 0.00 66.02 63.44 1s7v s SER 61 CO 0.00 -0.29 0.98 -0.36 0.98 0.00 0.00 173.24 174.55 1s7v s PHE 62 N -0.04 3.43 0.05 5.02 0.40 -1.25 -0.45 117.98 125.14 1s7v s PHE 62 Ca 0.51 1.49 -0.04 0.00 -0.60 0.00 0.00 56.93 58.29 1s7v s PHE 62 Cb -0.30 -2.80 -0.02 0.00 0.51 0.00 0.00 43.02 40.40 1s7v s PHE 62 CO 0.35 -0.35 0.05 1.52 0.70 0.00 0.00 175.22 177.49 1s7v s TYR 63 N -2.57 0.33 -0.07 0.36 1.13 0.02 -1.34 117.35 115.21 1s7v s TYR 63 Ca 0.59 -0.76 -0.21 0.00 -1.41 0.00 0.00 57.07 55.28 1s7v s TYR 63 Cb -0.10 -0.23 0.05 0.00 -1.10 0.00 0.00 41.96 40.58 1s7v s TYR 63 CO 0.29 -0.40 0.49 -1.50 -2.51 0.00 0.00 175.55 171.93 1s7v s ILE 64 N -3.33 0.02 -0.23 -3.49 2.07 -0.59 -2.84 121.20 112.81 1s7v s ILE 64 Ca 0.01 -0.19 0.02 0.00 -1.41 0.00 0.00 60.65 59.08 1s7v s ILE 64 Cb 0.03 -0.78 0.05 0.00 0.13 0.00 0.00 42.46 41.89 1s7v s ILE 64 CO -0.08 -0.10 -0.13 -0.22 -1.91 0.00 0.00 174.94 172.50 1s7v s LEU 65 N -0.89 2.82 -0.10 8.50 2.96 -1.26 -1.56 118.68 129.15 1s7v s LEU 65 Ca -0.09 -1.09 -0.13 0.00 -0.22 0.00 0.00 54.13 52.60 1s7v s LEU 65 Cb -0.03 -1.45 -0.05 0.00 0.50 0.00 0.00 46.19 45.17 1s7v s LEU 65 CO 0.05 -0.13 0.32 0.00 -1.32 0.00 0.00 176.35 175.27 1s7v s ALA 66 N 1.23 3.66 0.08 5.97 0.00 -0.60 -0.91 121.76 131.20 1s7v s ALA 66 Ca -0.04 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.50 1s7v s ALA 66 Cb -0.17 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 1s7v s ALA 66 CO -0.08 0.29 0.06 -3.38 0.00 0.00 0.00 175.76 172.66 1s7v s HIS 67 N -0.26 0.50 0.01 0.00 -3.43 -0.31 -0.35 115.29 111.46 1s7v s HIS 67 Ca 0.19 -0.98 -0.17 0.00 -0.80 0.00 0.00 55.06 53.31 1s7v s HIS 67 Cb -0.14 -0.31 0.03 0.00 -1.43 0.00 0.00 32.58 30.73 1s7v s HIS 67 CO 0.07 -0.47 0.37 -0.08 -2.00 0.00 0.00 174.74 172.64 1s7v s THR 68 N -3.94 0.06 0.32 -5.38 -1.32 -0.79 -0.50 115.64 104.08 1s7v s THR 68 Ca 0.11 -0.46 -0.29 0.00 -1.21 0.00 0.00 61.69 59.84 1s7v s THR 68 Cb 0.07 -0.81 -0.10 0.00 -1.51 0.00 0.00 72.50 70.15 1s7v s THR 68 CO -0.07 -0.25 1.32 -0.70 -2.21 0.00 0.00 174.62 172.71 1s7v s GLU 69 N -1.86 4.34 0.11 7.08 -6.30 -1.26 -0.99 118.70 119.82 1s7v s GLU 69 Ca -0.09 2.22 -0.25 0.00 -2.50 0.00 0.00 54.97 54.35 1s7v s GLU 69 Cb -0.03 -3.08 0.08 0.00 0.00 0.00 0.00 34.13 31.10 1s7v s GLU 69 CO 0.02 -0.22 0.67 -0.59 0.02 0.00 0.00 175.26 175.16 1s7v s PHE 70 N -0.98 -0.50 -0.37 5.30 -0.71 -0.65 -4.87 117.98 115.20 1s7v s PHE 70 Ca 0.50 0.33 -0.02 0.00 -1.04 0.00 0.00 56.93 56.71 1s7v s PHE 70 Cb -0.40 0.55 0.09 0.00 -1.21 0.00 0.00 43.02 42.05 1s7v s PHE 70 CO 0.52 -0.77 0.13 0.99 -1.34 0.00 0.00 175.22 174.74 1s7v s THR 71 N -3.51 3.10 0.31 -4.49 2.01 -1.26 -0.79 115.64 111.00 1s7v s THR 71 Ca 0.01 -1.89 -0.29 0.00 0.31 0.00 0.00 61.69 59.84 1s7v s THR 71 Cb -0.01 -3.04 -0.13 0.00 0.01 0.00 0.00 72.50 69.33 1s7v s THR 71 CO -0.11 -0.51 1.25 -0.81 -0.69 0.00 0.00 174.62 173.75 1s7v n PRO 72 N 4.56 1.94 -4.35 4.92 -0.04 -1.26 -4.74 135.00 136.03 1s7v n PRO 72 Ca -0.05 0.68 -0.18 0.00 -0.04 0.00 0.00 63.50 63.91 1s7v n PRO 72 Cb 0.42 -2.23 -0.10 0.00 -0.04 0.00 0.00 33.50 31.54 1s7v n PRO 72 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1s7v s THR 73 N -0.86 1.33 -0.77 0.52 -4.23 -1.26 -1.75 115.64 108.62 1s7v s THR 73 Ca 0.59 -2.09 0.26 0.00 -1.18 0.00 0.00 61.69 59.27 1s7v s THR 73 Cb -0.62 -2.26 0.22 0.00 1.34 0.00 0.00 72.50 71.18 1s7v s THR 73 CO 0.59 -0.42 1.69 1.21 -0.54 0.00 0.00 174.62 177.16 1s7v n GLU 74 N -0.43 0.21 0.00 3.99 0.00 -1.26 -4.29 120.64 118.86 1s7v n GLU 74 Ca -0.06 0.14 0.07 0.00 0.00 0.00 0.00 57.16 57.31 1s7v n GLU 74 Cb 0.63 -1.71 -0.02 0.00 0.00 0.00 0.00 31.44 30.34 1s7v n GLU 74 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1s7v n THR 75 N -2.06 0.00 -4.38 6.31 -2.24 -1.26 -4.97 114.28 105.68 1s7v n THR 75 Ca 0.05 -0.31 -0.27 0.00 -2.27 0.00 0.00 64.05 61.25 1s7v n THR 75 Cb 0.41 1.13 -0.12 0.00 -2.10 0.00 0.00 70.33 69.65 1s7v n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1s7v s ASP 76 N -1.86 3.21 0.32 3.42 1.01 -1.26 -5.12 116.67 116.38 1s7v s ASP 76 Ca 0.10 -0.80 -0.05 0.00 0.71 0.00 0.00 52.55 52.52 1s7v s ASP 76 Cb 0.11 -0.22 -0.05 0.00 1.01 0.00 0.00 42.92 43.78 1s7v s ASP 76 CO 0.40 0.12 0.58 0.42 0.21 0.00 0.00 175.17 176.91 1s7v s THR 77 N -1.39 5.01 -0.02 -1.27 -4.23 -1.26 -4.91 115.64 107.58 1s7v s THR 77 Ca 0.16 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 1s7v s THR 77 Cb -0.09 -3.75 0.02 0.00 1.34 0.00 0.00 72.50 70.02 1s7v s THR 77 CO 0.07 -0.39 0.01 -0.31 -0.54 0.00 0.00 174.62 173.46 1s7v s TYR 78 N -2.17 0.13 0.13 3.99 1.51 -1.26 -2.23 117.35 117.46 1s7v s TYR 78 Ca 0.44 0.06 -0.11 0.00 -1.01 0.00 0.00 57.07 56.45 1s7v s TYR 78 Cb -0.11 -0.25 0.00 0.00 -0.11 0.00 0.00 41.96 41.49 1s7v s TYR 78 CO 0.32 -0.08 0.28 0.00 -1.11 0.00 0.00 175.55 174.96 1s7v s ALA 79 N 0.82 -0.30 -0.04 3.71 0.00 0.03 0.25 121.76 126.24 1s7v s ALA 79 Ca -0.07 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.31 1s7v s ALA 79 Cb -0.11 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.71 1s7v s ALA 79 CO -0.02 -0.61 -0.10 0.00 0.00 0.00 0.00 175.76 175.04 1s7v s ARG 81 N 0.33 1.20 -0.08 0.00 3.52 0.49 -0.65 118.95 123.76 1s7v s ARG 81 Ca -0.06 -0.22 0.04 0.00 -0.13 0.00 0.00 55.73 55.36 1s7v s ARG 81 Cb -0.11 -1.12 0.00 0.00 -1.56 0.00 0.00 34.95 32.17 1s7v s ARG 81 CO 0.01 -0.06 -0.21 0.08 -0.81 0.00 0.00 175.30 174.31 1s7v s VAL 82 N 0.93 1.77 -0.09 7.11 1.01 0.31 -0.14 120.40 131.29 1s7v s VAL 82 Ca -0.11 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.03 1s7v s VAL 82 Cb -0.15 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1s7v s VAL 82 CO 0.01 0.50 -0.16 -0.75 0.00 0.00 0.00 175.10 174.69 1s7v s LYS 83 N 0.33 2.95 -0.16 2.72 2.20 0.03 -1.06 119.74 126.74 1s7v s LYS 83 Ca -0.15 -0.74 -0.24 0.00 -0.36 0.00 0.00 55.97 54.48 1s7v s LYS 83 Cb -0.16 -2.45 0.06 0.00 -1.51 0.00 0.00 37.83 33.77 1s7v s LYS 83 CO 0.06 0.37 0.63 -1.58 -0.36 0.00 0.00 175.35 174.47 1s7v s HIS 84 N -0.08 -0.65 -0.61 4.03 2.46 -1.26 -1.59 115.29 117.59 1s7v s HIS 84 Ca -0.03 1.41 0.20 0.00 0.47 0.00 0.00 55.06 57.11 1s7v s HIS 84 Cb -0.14 0.28 0.86 0.00 -0.13 0.00 0.00 32.58 33.46 1s7v s HIS 84 CO 0.04 -0.43 1.61 -0.25 -2.47 0.00 0.00 174.74 173.24 1s7v n ASP 85 N 2.03 0.46 0.08 9.88 8.00 -1.26 -1.38 116.55 134.35 1s7v n ASP 85 Ca -0.16 0.62 0.00 0.00 0.71 0.00 0.00 54.79 55.96 1s7v n ASP 85 Cb 0.56 -0.72 0.31 0.00 -0.02 0.00 0.00 41.12 41.25 1s7v n ASP 85 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1s7v h SER 86 N 0.00 0.32 -3.17 -2.24 4.64 -1.87 -3.43 113.55 107.80 1s7v h SER 86 Ca 0.00 -0.08 -0.66 0.00 -0.47 0.00 0.00 61.79 60.58 1s7v h SER 86 Cb 0.29 -0.08 -0.14 0.00 -0.31 0.00 0.00 62.40 62.15 1s7v h SER 86 CO 0.00 0.52 -0.58 -0.04 -0.87 0.00 0.00 176.83 175.86 1s7v s MET 87 N -4.61 3.40 0.63 4.77 -1.94 -0.48 -4.98 119.30 116.09 1s7v s MET 87 Ca -0.06 -0.34 0.41 0.00 -1.71 0.00 0.00 55.69 53.99 1s7v s MET 87 Cb 0.15 -3.00 2.10 0.00 2.01 0.00 0.00 34.83 36.08 1s7v s MET 87 CO 0.76 0.57 2.24 0.00 -0.01 0.00 0.00 175.02 178.58 1s7v h ALA 88 N 5.66 1.00 -2.88 3.03 0.00 -1.84 -3.43 119.26 120.80 1s7v h ALA 88 Ca -0.46 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1s7v h ALA 88 Cb 1.19 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 1s7v h ALA 88 CO 0.60 0.00 0.02 -1.83 0.00 0.00 0.00 179.25 178.04 1s7v s GLU 89 N -3.99 1.52 0.78 0.00 1.03 -1.26 -5.12 118.70 111.66 1s7v s GLU 89 Ca -0.03 -1.02 -0.13 0.00 0.03 0.00 0.00 54.97 53.82 1s7v s GLU 89 Cb 0.12 0.52 0.07 0.00 -0.80 0.00 0.00 34.13 34.04 1s7v s GLU 89 CO 0.44 -0.65 1.19 -2.14 -1.33 0.00 0.00 175.26 172.77 1s7v s PRO 90 N -3.93 1.84 -0.02 -4.83 0.02 -1.26 -4.85 135.00 121.97 1s7v s PRO 90 Ca 0.14 1.68 0.07 0.00 0.02 0.00 0.00 61.00 62.91 1s7v s PRO 90 Cb -0.02 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.68 1s7v s PRO 90 CO 0.03 -2.05 -0.24 0.21 -0.33 0.00 0.00 177.00 174.63 1s7v s LYS 91 N -4.16 1.90 -0.03 5.54 2.20 -0.22 -4.95 119.74 120.02 1s7v s LYS 91 Ca 0.72 -0.85 0.06 0.00 -0.36 0.00 0.00 55.97 55.54 1s7v s LYS 91 Cb -0.27 -1.84 -0.01 0.00 -1.51 0.00 0.00 37.83 34.20 1s7v s LYS 91 CO 0.49 0.50 -0.21 0.99 -0.36 0.00 0.00 175.35 176.77 1s7v s THR 92 N -0.56 1.66 -0.10 3.43 2.01 -1.26 -0.53 115.64 120.30 1s7v s THR 92 Ca 0.09 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.24 1s7v s THR 92 Cb -0.09 -1.40 0.01 0.00 0.01 0.00 0.00 72.50 71.03 1s7v s THR 92 CO -0.01 0.47 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.52 1s7v s VAL 93 N -0.29 1.69 0.18 3.82 1.01 0.17 -4.96 120.40 122.01 1s7v s VAL 93 Ca 0.03 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 1s7v s VAL 93 Cb -0.10 -1.50 -0.08 0.00 0.00 0.00 0.00 36.38 34.70 1s7v s VAL 93 CO 0.01 0.48 0.76 -0.31 0.00 0.00 0.00 175.10 176.04 1s7v s TYR 94 N 0.63 3.84 0.30 5.22 1.51 -1.26 -0.85 117.35 126.74 1s7v s TYR 94 Ca -0.14 1.57 -0.29 0.00 -1.01 0.00 0.00 57.07 57.20 1s7v s TYR 94 Cb -0.16 -2.73 -0.10 0.00 -0.11 0.00 0.00 41.96 38.85 1s7v s TYR 94 CO 0.04 0.47 1.43 -0.46 -1.11 0.00 0.00 175.55 175.93 1s7v s TRP 95 N -1.24 2.91 -0.15 2.71 -0.00 0.14 -4.85 118.94 118.45 1s7v s TRP 95 Ca 0.37 1.12 -0.01 0.00 -0.00 0.00 0.00 56.10 57.58 1s7v s TRP 95 Cb -0.21 -3.86 0.04 0.00 -0.00 0.00 0.00 33.47 29.45 1s7v s TRP 95 CO 0.25 -2.64 -0.01 0.34 -0.00 0.00 0.00 176.95 174.88 1s7v s ASP 96 N 0.07 2.59 0.50 5.86 3.68 -1.26 -4.77 116.67 123.34 1s7v s ASP 96 Ca 0.56 -0.59 0.18 0.00 2.13 0.00 0.00 52.55 54.83 1s7v s ASP 96 Cb -0.43 -0.71 1.24 0.00 -1.45 0.00 0.00 42.92 41.57 1s7v s ASP 96 CO 0.50 -0.23 2.07 0.08 0.13 0.00 0.00 175.17 177.73 1s7v h ARG 97 N 8.20 0.11 0.00 4.34 0.11 -1.95 -0.34 114.38 124.85 1s7v h ARG 97 Ca -0.21 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.87 1s7v h ARG 97 Cb 1.12 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.17 1s7v h ARG 97 CO 0.35 0.07 0.00 -0.25 0.10 0.00 0.00 179.97 180.24 1s7v n ASP 98 N -4.47 0.00 0.00 0.08 8.00 -1.26 -4.95 116.55 113.94 1s7v n ASP 98 Ca 0.03 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.90 1s7v n ASP 98 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1s7v n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04