#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 4.52 -0.01 9.51 -0.21 -1.26 -4.76 119.66 127.45 1s7v s GLN 2 Ca 0.00 1.88 0.03 0.00 0.02 0.00 0.00 55.36 57.29 1s7v s GLN 2 Cb 0.00 -3.22 -0.01 0.00 1.00 0.00 0.00 33.01 30.78 1s7v s GLN 2 CO 0.00 -0.02 -0.10 0.15 -2.12 0.00 0.00 175.29 173.20 1s7v s LYS 3 N -0.62 0.82 0.26 2.91 1.02 -0.82 -4.93 119.74 118.38 1s7v s LYS 3 Ca 0.51 -0.37 -0.26 0.00 0.02 0.00 0.00 55.97 55.86 1s7v s LYS 3 Cb -0.33 -0.79 -0.09 0.00 -0.52 0.00 0.00 37.83 36.10 1s7v s LYS 3 CO 0.39 0.22 0.89 0.99 -0.92 0.00 0.00 175.35 176.91 1s7v s THR 4 N -0.25 4.24 0.21 2.17 2.01 -1.26 -2.19 115.64 120.57 1s7v s THR 4 Ca 0.04 1.81 -0.30 0.00 0.31 0.00 0.00 61.69 63.55 1s7v s THR 4 Cb -0.04 -4.10 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 1s7v s THR 4 CO -0.00 0.31 1.23 -2.16 -0.69 0.00 0.00 174.62 173.31 1s7v s PRO 5 N -1.66 4.46 0.06 4.92 0.04 -1.26 -3.97 135.00 137.58 1s7v s PRO 5 Ca 0.45 1.96 -0.07 0.00 0.04 0.00 0.00 61.00 63.37 1s7v s PRO 5 Cb -0.21 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 1s7v s PRO 5 CO 0.26 -0.12 0.34 -0.65 0.04 0.00 0.00 177.00 176.87 1s7v s GLN 6 N -0.48 3.66 -0.05 4.56 -1.52 -0.30 -4.93 119.66 120.60 1s7v s GLN 6 Ca 0.53 0.02 0.02 0.00 -1.95 0.00 0.00 55.36 53.98 1s7v s GLN 6 Cb -0.35 -3.01 0.01 0.00 -0.22 0.00 0.00 33.01 29.45 1s7v s GLN 6 CO 0.39 0.58 -0.11 0.42 -0.25 0.00 0.00 175.29 176.32 1s7v s ILE 7 N -1.40 1.00 -0.07 1.08 1.01 -1.26 -0.77 121.20 120.78 1s7v s ILE 7 Ca 0.32 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.60 1s7v s ILE 7 Cb -0.13 -0.91 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 1s7v s ILE 7 CO 0.19 0.32 -0.23 -1.10 0.00 0.00 0.00 174.94 174.11 1s7v s GLN 8 N 0.52 2.68 -0.07 2.79 -0.21 -0.45 -4.99 119.66 119.94 1s7v s GLN 8 Ca -0.10 -0.87 0.04 0.00 0.02 0.00 0.00 55.36 54.45 1s7v s GLN 8 Cb -0.13 -2.24 -0.02 0.00 1.00 0.00 0.00 33.01 31.62 1s7v s GLN 8 CO 0.02 0.36 -0.19 0.08 -2.12 0.00 0.00 175.29 173.45 1s7v s VAL 9 N -0.11 2.61 0.00 1.09 1.01 -1.26 -0.72 120.40 123.02 1s7v s VAL 9 Ca -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1s7v s VAL 9 Cb -0.14 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.23 1s7v s VAL 9 CO 0.04 0.57 0.00 0.00 0.00 0.00 0.00 175.10 175.71 1s7v n TYR 10 N 2.80 0.00 -3.91 5.22 4.11 -0.68 -4.59 117.16 120.12 1s7v n TYR 10 Ca -0.17 0.00 -0.34 0.00 -0.00 0.00 0.00 57.90 57.39 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 6.35 0.18 9.48 1.04 -1.26 -0.28 113.70 129.21 1s7v s SER 11 Ca 0.00 0.35 -0.13 0.00 0.48 0.00 0.00 55.95 56.65 1s7v s SER 11 Cb 0.00 -2.00 0.11 0.00 0.10 0.00 0.00 66.02 64.23 1s7v s SER 11 CO 0.00 0.28 1.80 -0.09 0.98 0.00 0.00 173.24 176.20 1s7v h ARG 12 N 3.92 0.53 -6.53 4.02 2.43 -1.16 -3.43 114.38 114.16 1s7v h ARG 12 Ca -0.49 -0.03 -0.64 0.00 -0.81 0.00 0.00 59.98 58.00 1s7v h ARG 12 Cb 1.19 -0.12 -0.16 0.00 -0.42 0.00 0.00 29.97 30.46 1s7v h ARG 12 CO 0.68 0.35 -0.76 -1.01 -1.51 0.00 0.00 179.97 177.72 1s7v s HIS 13 N -6.14 2.54 -0.18 2.20 3.76 -1.26 -5.03 115.29 111.18 1s7v s HIS 13 Ca -0.13 -0.26 -0.40 0.00 -0.15 0.00 0.00 55.06 54.12 1s7v s HIS 13 Cb 0.13 -1.26 -0.17 0.00 1.11 0.00 0.00 32.58 32.39 1s7v s HIS 13 CO 0.74 0.49 1.56 -2.30 -0.85 0.00 0.00 174.74 174.38 1s7v n PRO 14 N 0.21 0.94 -2.57 8.40 -0.02 -1.26 -4.87 135.00 135.84 1s7v n PRO 14 Ca -0.12 0.34 -0.43 0.00 -2.02 0.00 0.00 63.50 61.28 1s7v n PRO 14 Cb 0.55 -1.98 -0.02 0.00 -0.02 0.00 0.00 33.50 32.03 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 2.34 4.32 -0.01 0.52 0.04 -1.26 -5.04 135.00 135.91 1s7v s PRO 15 Ca 0.95 1.51 0.08 0.00 0.04 0.00 0.00 61.00 63.58 1s7v s PRO 15 Cb -1.10 -3.62 -0.02 0.00 0.04 0.00 0.00 34.50 29.80 1s7v s PRO 15 CO 0.61 -0.52 -0.26 -2.00 0.04 0.00 0.00 177.00 174.87 1s7v s GLU 16 N 2.73 2.05 0.46 4.56 2.12 -1.26 -5.12 118.70 124.24 1s7v s GLU 16 Ca 0.50 -0.96 -0.24 0.00 0.36 0.00 0.00 54.97 54.63 1s7v s GLU 16 Cb -0.20 -2.02 -0.07 0.00 0.26 0.00 0.00 34.13 32.10 1s7v s GLU 16 CO 0.15 0.55 1.37 -0.80 -0.54 0.00 0.00 175.26 175.99 1s7v s ASN 17 N -0.71 5.84 -1.38 -1.70 0.01 -1.26 -2.78 114.94 112.96 1s7v s ASN 17 Ca 0.10 2.79 0.00 0.00 -0.71 0.00 0.00 52.86 55.05 1s7v s ASN 17 Cb -0.10 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.92 1s7v s ASN 17 CO -0.00 -1.19 0.00 0.61 -1.51 0.00 0.00 177.10 175.01 1s7v n GLY 18 N 0.62 1.14 2.82 0.66 0.00 -0.78 -4.99 105.19 104.65 1s7v n GLY 18 Ca 0.06 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.41 1.03 -0.06 1.61 2.20 -1.12 -5.02 119.74 114.98 1s7v s LYS 19 Ca 0.00 -0.59 -0.35 0.00 -0.36 0.00 0.00 55.97 54.67 1s7v s LYS 19 Cb 0.00 -2.21 -0.17 0.00 -1.51 0.00 0.00 37.83 33.94 1s7v s LYS 19 CO 0.00 -0.59 0.97 -2.30 -0.36 0.00 0.00 175.35 173.07 1s7v n PRO 20 N 4.92 0.00 -4.03 4.03 -0.02 -1.26 -4.44 135.00 134.19 1s7v n PRO 20 Ca -0.10 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.25 1s7v n PRO 20 Cb 0.46 -1.27 -0.03 0.00 -0.02 0.00 0.00 33.50 32.64 1s7v n PRO 20 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1s7v s ASN 21 N 0.36 0.61 -0.06 2.55 3.84 -0.22 -5.02 114.94 117.01 1s7v s ASN 21 Ca 0.79 -1.35 0.04 0.00 0.21 0.00 0.00 52.86 52.55 1s7v s ASN 21 Cb -1.10 0.68 0.00 0.00 -0.55 0.00 0.00 41.25 40.27 1s7v s ASN 21 CO 0.51 -1.33 -0.17 -0.63 -2.79 0.00 0.00 177.10 172.69 1s7v s ILE 22 N -3.10 1.48 -0.17 -5.21 -1.09 -1.26 -1.54 121.20 110.31 1s7v s ILE 22 Ca 0.27 -0.72 -0.07 0.00 -2.23 0.00 0.00 60.65 57.90 1s7v s ILE 22 Cb -0.01 -1.28 -0.04 0.00 -1.58 0.00 0.00 42.46 39.55 1s7v s ILE 22 CO 0.17 0.43 0.08 -0.22 -1.23 0.00 0.00 174.94 174.16 1s7v s LEU 23 N 0.20 3.94 -0.04 2.97 2.96 -0.19 -0.49 118.68 128.02 1s7v s LEU 23 Ca -0.08 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.03 1s7v s LEU 23 Cb -0.13 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 1s7v s LEU 23 CO 0.03 0.23 -0.12 0.20 -1.32 0.00 0.00 176.35 175.38 1s7v s ASN 24 N 0.03 4.24 -0.26 3.68 0.01 0.62 -1.62 114.94 121.64 1s7v s ASN 24 Ca 0.07 -0.16 0.01 0.00 -0.71 0.00 0.00 52.86 52.06 1s7v s ASN 24 Cb -0.12 -0.94 0.07 0.00 0.41 0.00 0.00 41.25 40.68 1s7v s ASN 24 CO 0.01 0.33 -0.00 0.00 -1.51 0.00 0.00 177.10 175.93 1s7v s TYR 26 N 1.40 3.20 -0.16 0.00 5.04 0.10 -1.43 117.35 125.50 1s7v s TYR 26 Ca -0.00 -0.66 -0.01 0.00 -2.44 0.00 0.00 57.07 53.96 1s7v s TYR 26 Cb -0.18 -2.38 -0.01 0.00 0.35 0.00 0.00 41.96 39.73 1s7v s TYR 26 CO -0.10 -0.50 -0.10 0.08 -1.34 0.00 0.00 175.55 173.59 1s7v s VAL 27 N 1.60 3.19 0.20 3.14 1.01 -0.57 -1.34 120.40 127.64 1s7v s VAL 27 Ca 0.04 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1s7v s VAL 27 Cb -0.18 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1s7v s VAL 27 CO 0.06 0.50 0.03 0.42 0.00 0.00 0.00 175.10 176.11 1s7v s THR 28 N 0.67 0.65 -1.38 3.92 -4.23 0.05 -1.50 115.64 113.83 1s7v s THR 28 Ca -0.05 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 1s7v s THR 28 Cb -0.15 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.41 1s7v s THR 28 CO 0.02 -0.33 0.00 0.00 -0.54 0.00 0.00 174.62 173.77 1s7v n GLN 29 N -0.31 -1.07 -3.96 3.99 6.02 -0.60 -1.15 117.38 120.31 1s7v n GLN 29 Ca -0.05 0.85 -0.25 0.00 -0.01 0.00 0.00 57.00 57.54 1s7v n GLN 29 Cb 0.64 -5.05 -0.03 0.00 1.02 0.00 0.00 30.24 26.82 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 -2.62 3.46 -0.23 1.08 -0.12 -1.25 -4.11 117.98 114.18 1s7v s PHE 30 Ca 0.00 0.09 -0.18 0.00 -0.05 0.00 0.00 56.93 56.79 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 0.51 0.60 -1.58 -0.05 0.00 0.00 175.22 174.69 1s7v s HIS 31 N -1.78 -0.76 0.88 3.49 2.46 -0.93 -3.75 115.29 114.90 1s7v s HIS 31 Ca 0.34 1.71 -0.13 0.00 0.47 0.00 0.00 55.06 57.45 1s7v s HIS 31 Cb -0.11 0.35 0.13 0.00 -0.13 0.00 0.00 32.58 32.82 1s7v s HIS 31 CO 0.28 -0.38 1.20 -1.25 -2.47 0.00 0.00 174.74 172.12 1s7v s PRO 32 N 0.86 1.36 0.48 2.88 0.04 -1.26 -1.95 135.00 137.40 1s7v s PRO 32 Ca -0.04 0.03 0.22 0.00 0.04 0.00 0.00 61.00 61.25 1s7v s PRO 32 Cb -0.05 -1.89 1.23 0.00 0.04 0.00 0.00 34.50 33.83 1s7v s PRO 32 CO -0.07 -2.00 2.02 -1.35 0.04 0.00 0.00 177.00 175.64 1s7v h PRO 33 N -1.35 0.00 -6.14 0.56 0.11 -2.01 -3.43 132.00 119.74 1s7v h PRO 33 Ca -0.47 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 64.91 1s7v h PRO 33 Cb 1.31 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.43 1s7v h PRO 33 CO 0.58 0.17 0.95 1.58 -0.21 0.00 0.00 178.00 181.07 1s7v n HIS 34 N -3.86 2.04 -3.48 0.65 -0.00 -1.26 -4.95 115.22 104.36 1s7v n HIS 34 Ca -0.02 0.50 -0.14 0.00 0.46 0.00 0.00 57.72 58.52 1s7v n HIS 34 Cb 0.26 -2.47 -0.04 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 3.84 0.00 -0.05 3.57 2.07 -1.26 -4.68 121.20 124.70 1s7v s ILE 35 Ca 0.99 -0.03 0.04 0.00 -1.41 0.00 0.00 60.65 60.24 1s7v s ILE 35 Cb -1.05 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 40.54 1s7v s ILE 35 CO 0.65 -0.02 -0.17 -1.61 -1.91 0.00 0.00 174.94 171.88 1s7v s GLU 36 N -2.65 1.89 -0.11 3.50 2.02 -0.61 -5.02 118.70 117.73 1s7v s GLU 36 Ca -0.04 -0.61 -0.02 0.00 0.02 0.00 0.00 54.97 54.32 1s7v s GLU 36 Cb -0.01 -1.60 0.04 0.00 0.10 0.00 0.00 34.13 32.66 1s7v s GLU 36 CO -0.03 0.21 0.01 0.42 0.02 0.00 0.00 175.26 175.88 1s7v s ILE 37 N 0.16 0.47 -0.04 -1.63 1.01 -1.26 -0.61 121.20 119.31 1s7v s ILE 37 Ca -0.07 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.48 1s7v s ILE 37 Cb -0.13 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 1s7v s ILE 37 CO 0.03 0.12 -0.09 -1.10 0.00 0.00 0.00 174.94 173.89 1s7v s GLN 38 N 1.92 2.59 -0.03 2.79 -0.21 0.58 -4.96 119.66 122.33 1s7v s GLN 38 Ca 0.03 -0.66 0.01 0.00 0.02 0.00 0.00 55.36 54.76 1s7v s GLN 38 Cb -0.14 -2.49 -0.03 0.00 1.00 0.00 0.00 33.01 31.35 1s7v s GLN 38 CO -0.06 0.63 -0.03 -1.64 -2.12 0.00 0.00 175.29 172.07 1s7v s MET 39 N -1.00 2.77 0.04 2.91 -1.94 -1.26 -0.23 119.30 120.59 1s7v s MET 39 Ca 0.14 -0.57 0.03 0.00 -1.71 0.00 0.00 55.69 53.58 1s7v s MET 39 Cb -0.11 -2.65 -0.02 0.00 2.01 0.00 0.00 34.83 34.07 1s7v s MET 39 CO 0.03 0.65 -0.10 -0.51 -0.01 0.00 0.00 175.02 175.08 1s7v s LEU 40 N -1.20 2.19 -0.07 -0.03 1.43 0.21 -0.85 118.68 120.36 1s7v s LEU 40 Ca 0.16 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1s7v s LEU 40 Cb -0.11 -0.37 0.02 0.00 0.03 0.00 0.00 46.19 45.76 1s7v s LEU 40 CO 0.06 -0.06 -0.05 -0.75 0.23 0.00 0.00 176.35 175.77 1s7v s LYS 41 N -1.22 1.03 -1.50 1.70 2.20 -0.57 -0.81 119.74 120.56 1s7v s LYS 41 Ca -0.03 -0.12 -0.17 0.00 -0.36 0.00 0.00 55.97 55.29 1s7v s LYS 41 Cb -0.08 -1.11 0.15 0.00 -1.51 0.00 0.00 37.83 35.29 1s7v s LYS 41 CO 0.01 -0.16 0.59 0.09 -0.36 0.00 0.00 175.35 175.51 1s7v n ASN 42 N 4.49 -2.72 0.00 1.43 3.02 -1.03 -1.37 115.26 119.09 1s7v n ASN 42 Ca -0.17 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1s7v n ASN 42 Cb 0.51 -2.28 0.00 0.00 -0.61 0.00 0.00 39.78 37.40 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 -1.15 0.85 3.65 7.41 0.00 -1.26 -5.04 105.19 109.66 1s7v n GLY 43 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.16 2.90 0.10 1.61 2.47 -0.47 -5.06 119.74 121.13 1s7v s LYS 44 Ca 0.00 -0.46 -0.36 0.00 -1.56 0.00 0.00 55.97 53.59 1s7v s LYS 44 Cb 0.00 -2.73 -0.16 0.00 -1.46 0.00 0.00 37.83 33.48 1s7v s LYS 44 CO 0.00 0.69 1.36 1.63 0.16 0.00 0.00 175.35 179.19 1s7v n LYS 45 N 2.12 1.26 -2.82 4.03 5.02 -1.26 -1.52 118.16 125.00 1s7v n LYS 45 Ca -0.18 0.46 -0.41 0.00 -2.02 0.00 0.00 58.31 56.16 1s7v n LYS 45 Cb 0.53 -2.11 -0.05 0.00 -0.02 0.00 0.00 35.03 33.39 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 0.51 4.55 0.00 -0.18 1.01 -0.03 -4.82 121.20 122.23 1s7v s ILE 46 Ca 0.83 1.92 0.00 0.00 0.00 0.00 0.00 60.65 63.41 1s7v s ILE 46 Cb -0.92 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 37.30 1s7v s ILE 46 CO 0.46 0.35 0.99 -0.81 0.00 0.00 0.00 174.94 175.93 1s7v n PRO 47 N 2.69 0.00 -2.57 2.79 -0.04 -1.26 -4.19 135.00 132.42 1s7v n PRO 47 Ca 0.00 0.70 -0.42 0.00 -0.04 0.00 0.00 63.50 63.75 1s7v n PRO 47 Cb 0.49 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 1s7v n PRO 47 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1s7v n LYS 48 N -2.40 4.58 -2.59 0.54 4.81 -1.26 -4.94 118.16 116.90 1s7v n LYS 48 Ca 0.00 -4.15 -0.41 0.00 -0.87 0.00 0.00 58.31 52.88 1s7v n LYS 48 Cb 0.00 -2.61 -0.03 0.00 0.02 0.00 0.00 35.03 32.41 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 -2.20 3.82 0.28 3.15 1.01 -1.26 -4.52 120.40 120.68 1s7v s VAL 49 Ca 0.39 0.33 -0.29 0.00 0.00 0.00 0.00 61.98 62.42 1s7v s VAL 49 Cb 0.12 -4.88 -0.10 0.00 0.00 0.00 0.00 36.38 31.53 1s7v s VAL 49 CO -0.01 -1.78 1.09 -1.61 0.00 0.00 0.00 175.10 172.79 1s7v s GLU 50 N 5.48 4.64 -0.04 2.72 0.41 0.11 -4.90 118.70 127.12 1s7v s GLU 50 Ca 0.34 1.78 0.05 0.00 -0.41 0.00 0.00 54.97 56.72 1s7v s GLU 50 Cb -0.09 -3.17 -0.02 0.00 -1.78 0.00 0.00 34.13 29.06 1s7v s GLU 50 CO 0.15 0.22 -0.17 1.41 -0.49 0.00 0.00 175.26 176.38 1s7v s MET 51 N -1.47 2.41 0.67 1.61 1.75 -1.26 -1.07 119.30 121.93 1s7v s MET 51 Ca 0.45 -0.75 -0.07 0.00 -1.25 0.00 0.00 55.69 54.06 1s7v s MET 51 Cb -0.31 -2.30 0.04 0.00 2.84 0.00 0.00 34.83 35.10 1s7v s MET 51 CO 0.40 0.61 0.99 -1.54 -0.65 0.00 0.00 175.02 174.84 1s7v s SER 52 N -0.71 5.17 0.22 1.11 1.04 -0.41 -5.00 113.70 115.12 1s7v s SER 52 Ca 0.11 0.67 -0.30 0.00 0.48 0.00 0.00 55.95 56.91 1s7v s SER 52 Cb -0.10 -1.46 -0.09 0.00 0.10 0.00 0.00 66.02 64.47 1s7v s SER 52 CO 0.00 -1.38 1.29 -1.81 0.98 0.00 0.00 173.24 172.32 1s7v s ASP 53 N -4.42 6.92 -0.57 7.02 1.01 -1.26 -4.75 116.67 120.62 1s7v s ASP 53 Ca 0.58 2.42 -0.28 0.00 0.71 0.00 0.00 52.55 55.97 1s7v s ASP 53 Cb -0.11 -2.62 -0.11 0.00 1.01 0.00 0.00 42.92 41.10 1s7v s ASP 53 CO 0.46 -0.49 2.45 0.80 0.21 0.00 0.00 175.17 178.59 1s7v n MET 54 N 2.32 0.88 -4.31 8.23 0.00 -1.26 -4.84 117.12 118.13 1s7v n MET 54 Ca 0.05 0.06 -0.29 0.00 -0.00 0.00 0.00 57.70 57.52 1s7v n MET 54 Cb 0.43 -2.91 -0.04 0.00 0.00 0.00 0.00 33.22 30.70 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 10.78 4.38 0.13 6.12 0.15 -1.12 -5.01 113.70 129.14 1s7v s SER 55 Ca 1.08 -1.42 -0.19 0.00 0.70 0.00 0.00 55.95 56.12 1s7v s SER 55 Cb -0.49 0.39 0.05 0.00 -1.71 0.00 0.00 66.02 64.25 1s7v s SER 55 CO 0.34 -0.94 0.47 0.72 1.20 0.00 0.00 173.24 175.03 1s7v s PHE 56 N -2.81 -0.33 0.63 3.44 -0.12 -1.26 -1.08 117.98 116.45 1s7v s PHE 56 Ca 0.22 0.06 0.01 0.00 -0.05 0.00 0.00 56.93 57.16 1s7v s PHE 56 Cb 0.00 0.37 0.07 0.00 -0.63 0.00 0.00 43.02 42.83 1s7v s PHE 56 CO 0.13 -0.75 0.87 -1.54 -0.05 0.00 0.00 175.22 173.88 1s7v s SER 57 N -2.75 4.87 0.17 1.98 1.04 0.37 -4.92 113.70 114.45 1s7v s SER 57 Ca 0.02 -0.18 0.21 0.00 0.48 0.00 0.00 55.95 56.48 1s7v s SER 57 Cb 0.01 -0.48 0.87 0.00 0.10 0.00 0.00 66.02 66.52 1s7v s SER 57 CO -0.12 -1.46 1.65 0.29 0.98 0.00 0.00 173.24 174.58 1s7v n LYS 58 N -2.56 0.13 -0.25 4.02 4.01 -1.26 -0.44 118.16 121.81 1s7v n LYS 58 Ca 0.11 0.34 0.07 0.00 -0.51 0.00 0.00 58.31 58.33 1s7v n LYS 58 Cb 0.60 -1.74 0.20 0.00 -0.51 0.00 0.00 35.03 33.58 1s7v n LYS 58 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1s7v n ASP 59 N -1.99 2.53 0.00 4.39 3.85 -1.26 -4.94 116.55 119.13 1s7v n ASP 59 Ca 0.03 -2.03 0.00 0.00 -0.71 0.00 0.00 54.79 52.08 1s7v n ASP 59 Cb 0.23 -0.32 0.00 0.00 -1.35 0.00 0.00 41.12 39.68 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 0.81 0.00 -2.38 2.11 7.02 0.41 -5.03 117.44 120.39 1s7v n TRP 60 Ca 0.15 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.22 1s7v n TRP 60 Cb 0.41 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.27 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 7.10 0.62 -0.99 1.04 -1.26 -4.71 113.70 112.10 1s7v s SER 61 Ca 0.00 2.25 -0.12 0.00 0.48 0.00 0.00 55.95 58.55 1s7v s SER 61 Cb 0.00 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.47 1s7v s SER 61 CO 0.00 -0.35 1.03 -0.36 0.98 0.00 0.00 173.24 174.54 1s7v s PHE 62 N -0.22 3.44 0.09 5.02 0.40 -1.25 -0.48 117.98 124.99 1s7v s PHE 62 Ca 0.52 1.37 -0.08 0.00 -0.60 0.00 0.00 56.93 58.13 1s7v s PHE 62 Cb -0.33 -2.79 -0.00 0.00 0.51 0.00 0.00 43.02 40.41 1s7v s PHE 62 CO 0.38 -0.78 0.18 1.52 0.70 0.00 0.00 175.22 177.22 1s7v s TYR 63 N -3.00 0.17 -0.06 0.36 1.13 -0.24 -1.55 117.35 114.15 1s7v s TYR 63 Ca 0.57 -0.60 -0.26 0.00 -1.41 0.00 0.00 57.07 55.37 1s7v s TYR 63 Cb -0.12 -0.07 0.06 0.00 -1.10 0.00 0.00 41.96 40.73 1s7v s TYR 63 CO 0.49 -0.54 0.58 -1.50 -2.51 0.00 0.00 175.55 172.07 1s7v s ILE 64 N -3.86 0.01 -0.22 -3.49 2.07 -0.56 -2.78 121.20 112.37 1s7v s ILE 64 Ca 0.05 -0.12 0.01 0.00 -1.41 0.00 0.00 60.65 59.18 1s7v s ILE 64 Cb 0.05 -0.88 0.05 0.00 0.13 0.00 0.00 42.46 41.80 1s7v s ILE 64 CO -0.11 -0.07 -0.10 -0.22 -1.91 0.00 0.00 174.94 172.53 1s7v s LEU 65 N -1.04 2.59 -0.03 8.50 2.96 -1.26 -1.51 118.68 128.88 1s7v s LEU 65 Ca -0.10 -1.04 -0.12 0.00 -0.22 0.00 0.00 54.13 52.65 1s7v s LEU 65 Cb -0.02 -1.31 -0.05 0.00 0.50 0.00 0.00 46.19 45.31 1s7v s LEU 65 CO 0.07 -0.16 0.32 0.00 -1.32 0.00 0.00 176.35 175.26 1s7v s ALA 66 N 1.32 3.76 0.12 5.97 0.00 -0.51 -1.28 121.76 131.14 1s7v s ALA 66 Ca -0.03 -0.37 -0.08 0.00 0.00 0.00 0.00 51.96 51.47 1s7v s ALA 66 Cb -0.17 -2.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.70 1s7v s ALA 66 CO -0.07 0.54 0.23 -3.38 0.00 0.00 0.00 175.76 173.07 1s7v s HIS 67 N -1.10 0.30 -0.04 0.00 -3.43 -0.24 -0.57 115.29 110.22 1s7v s HIS 67 Ca 0.22 -0.69 -0.26 0.00 -0.80 0.00 0.00 55.06 53.53 1s7v s HIS 67 Cb -0.15 -0.08 0.05 0.00 -1.43 0.00 0.00 32.58 30.98 1s7v s HIS 67 CO 0.11 -0.62 0.56 -0.08 -2.00 0.00 0.00 174.74 172.71 1s7v s THR 68 N -3.92 0.02 0.33 -5.38 -1.32 -0.64 -0.71 115.64 104.03 1s7v s THR 68 Ca 0.11 -0.16 -0.29 0.00 -1.21 0.00 0.00 61.69 60.15 1s7v s THR 68 Cb 0.04 -0.87 -0.10 0.00 -1.51 0.00 0.00 72.50 70.06 1s7v s THR 68 CO -0.05 -0.09 1.31 -0.70 -2.21 0.00 0.00 174.62 172.88 1s7v s GLU 69 N -1.24 4.34 0.15 7.08 -6.30 -1.26 -1.02 118.70 120.44 1s7v s GLU 69 Ca -0.12 2.22 -0.24 0.00 -2.50 0.00 0.00 54.97 54.34 1s7v s GLU 69 Cb -0.02 -3.06 0.07 0.00 0.00 0.00 0.00 34.13 31.12 1s7v s GLU 69 CO 0.08 -0.20 0.67 -0.59 0.02 0.00 0.00 175.26 175.24 1s7v s PHE 70 N -1.14 -0.46 -0.34 5.30 -0.71 -0.59 -4.86 117.98 115.17 1s7v s PHE 70 Ca 0.49 0.24 -0.00 0.00 -1.04 0.00 0.00 56.93 56.62 1s7v s PHE 70 Cb -0.40 0.57 0.08 0.00 -1.21 0.00 0.00 43.02 42.07 1s7v s PHE 70 CO 0.53 -0.84 0.07 0.99 -1.34 0.00 0.00 175.22 174.63 1s7v s THR 71 N -3.66 2.80 0.29 -4.49 2.01 -1.26 -1.05 115.64 110.27 1s7v s THR 71 Ca 0.03 -1.90 -0.30 0.00 0.31 0.00 0.00 61.69 59.83 1s7v s THR 71 Cb -0.02 -2.84 -0.13 0.00 0.01 0.00 0.00 72.50 69.52 1s7v s THR 71 CO -0.10 -0.43 1.36 -0.81 -0.69 0.00 0.00 174.62 173.95 1s7v n PRO 72 N 4.49 2.09 -4.54 4.92 -0.04 -1.26 -4.75 135.00 135.91 1s7v n PRO 72 Ca -0.05 0.74 -0.25 0.00 -0.04 0.00 0.00 63.50 63.90 1s7v n PRO 72 Cb 0.42 -2.36 -0.11 0.00 -0.04 0.00 0.00 33.50 31.41 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 -0.50 1.68 -0.90 0.52 -4.23 -1.26 -1.87 115.64 109.08 1s7v s THR 73 Ca 0.62 -2.02 0.25 0.00 -1.18 0.00 0.00 61.69 59.37 1s7v s THR 73 Cb -0.61 -2.87 0.04 0.00 1.34 0.00 0.00 72.50 70.41 1s7v s THR 73 CO 0.55 -0.03 1.44 1.21 -0.54 0.00 0.00 174.62 177.25 1s7v n GLU 74 N -0.83 0.08 0.00 3.99 0.00 -1.26 -4.47 120.64 118.16 1s7v n GLU 74 Ca -0.04 0.02 0.07 0.00 0.00 0.00 0.00 57.16 57.21 1s7v n GLU 74 Cb 0.66 -1.55 -0.02 0.00 0.00 0.00 0.00 31.44 30.53 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 -1.68 0.00 -4.42 6.31 -2.24 -1.26 -4.97 114.28 106.02 1s7v n THR 75 Ca 0.05 -0.30 -0.27 0.00 -2.27 0.00 0.00 64.05 61.27 1s7v n THR 75 Cb 0.37 1.12 -0.11 0.00 -2.10 0.00 0.00 70.33 69.60 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 -1.91 3.48 0.39 3.42 1.01 -1.26 -5.11 116.67 116.69 1s7v s ASP 76 Ca 0.10 -0.87 -0.06 0.00 0.71 0.00 0.00 52.55 52.42 1s7v s ASP 76 Cb 0.11 -0.28 -0.05 0.00 1.01 0.00 0.00 42.92 43.71 1s7v s ASP 76 CO 0.42 0.11 0.69 0.42 0.21 0.00 0.00 175.17 177.02 1s7v s THR 77 N -1.76 4.92 -0.00 -1.27 -4.23 -1.26 -4.91 115.64 107.13 1s7v s THR 77 Ca 0.22 0.22 0.01 0.00 -1.18 0.00 0.00 61.69 60.97 1s7v s THR 77 Cb -0.08 -3.78 -0.00 0.00 1.34 0.00 0.00 72.50 69.98 1s7v s THR 77 CO 0.11 -0.56 -0.04 -0.31 -0.54 0.00 0.00 174.62 173.27 1s7v s TYR 78 N -2.39 0.38 0.19 3.99 1.51 -1.26 -2.45 117.35 117.33 1s7v s TYR 78 Ca 0.47 -0.08 -0.15 0.00 -1.01 0.00 0.00 57.07 56.31 1s7v s TYR 78 Cb -0.10 -0.25 0.01 0.00 -0.11 0.00 0.00 41.96 41.51 1s7v s TYR 78 CO 0.35 -0.01 0.45 0.00 -1.11 0.00 0.00 175.55 175.24 1s7v s ALA 79 N -0.11 -0.59 -0.02 3.71 0.00 0.01 -1.01 121.76 123.74 1s7v s ALA 79 Ca 0.01 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.50 1s7v s ALA 79 Cb -0.02 0.88 0.01 0.00 0.00 0.00 0.00 23.12 23.99 1s7v s ALA 79 CO -0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 175.76 174.94 1s7v s ARG 81 N 0.34 0.82 -0.08 0.00 3.52 0.67 -0.66 118.95 123.57 1s7v s ARG 81 Ca -0.04 -0.09 0.04 0.00 -0.13 0.00 0.00 55.73 55.51 1s7v s ARG 81 Cb -0.08 -0.87 0.00 0.00 -1.56 0.00 0.00 34.95 32.45 1s7v s ARG 81 CO -0.00 -0.11 -0.20 0.08 -0.81 0.00 0.00 175.30 174.26 1s7v s VAL 82 N 1.05 1.71 -0.10 7.11 1.01 0.48 -0.31 120.40 131.35 1s7v s VAL 82 Ca -0.09 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1s7v s VAL 82 Cb -0.14 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1s7v s VAL 82 CO -0.01 0.48 -0.16 -0.75 0.00 0.00 0.00 175.10 174.67 1s7v s LYS 83 N 0.35 3.00 -0.19 2.72 2.20 0.22 -1.20 119.74 126.85 1s7v s LYS 83 Ca -0.14 -0.74 -0.25 0.00 -0.36 0.00 0.00 55.97 54.48 1s7v s LYS 83 Cb -0.16 -2.47 0.07 0.00 -1.51 0.00 0.00 37.83 33.75 1s7v s LYS 83 CO 0.06 0.35 0.66 -1.58 -0.36 0.00 0.00 175.35 174.48 1s7v s HIS 84 N -0.02 -0.70 -0.57 4.03 2.46 -1.26 -1.57 115.29 117.66 1s7v s HIS 84 Ca -0.05 1.56 0.20 0.00 0.47 0.00 0.00 55.06 57.24 1s7v s HIS 84 Cb -0.14 0.29 0.89 0.00 -0.13 0.00 0.00 32.58 33.49 1s7v s HIS 84 CO 0.04 -0.43 1.62 -0.25 -2.47 0.00 0.00 174.74 173.25 1s7v n ASP 85 N 2.14 0.49 0.09 9.88 8.00 -1.26 -1.32 116.55 134.56 1s7v n ASP 85 Ca -0.16 0.64 0.00 0.00 0.71 0.00 0.00 54.79 55.99 1s7v n ASP 85 Cb 0.56 -0.74 0.32 0.00 -0.02 0.00 0.00 41.12 41.24 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 0.28 -3.20 -2.24 4.64 -1.87 -3.43 113.55 107.73 1s7v h SER 86 Ca 0.00 -0.08 -0.65 0.00 -0.47 0.00 0.00 61.79 60.59 1s7v h SER 86 Cb 0.27 -0.07 -0.15 0.00 -0.31 0.00 0.00 62.40 62.14 1s7v h SER 86 CO 0.00 0.50 -0.58 -0.04 -0.87 0.00 0.00 176.83 175.84 1s7v s MET 87 N -4.56 3.49 0.63 4.77 -1.94 -0.44 -4.98 119.30 116.26 1s7v s MET 87 Ca -0.05 -0.35 0.40 0.00 -1.71 0.00 0.00 55.69 53.97 1s7v s MET 87 Cb 0.15 -3.02 2.07 0.00 2.01 0.00 0.00 34.83 36.04 1s7v s MET 87 CO 0.75 0.51 2.25 0.00 -0.01 0.00 0.00 175.02 178.53 1s7v h ALA 88 N 5.84 1.05 -2.86 3.03 0.00 -1.84 -3.43 119.26 121.06 1s7v h ALA 88 Ca -0.44 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1s7v h ALA 88 Cb 1.19 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 1s7v h ALA 88 CO 0.62 0.01 0.01 -1.83 0.00 0.00 0.00 179.25 178.06 1s7v s GLU 89 N -4.07 1.40 0.87 0.00 1.03 -1.26 -5.11 118.70 111.56 1s7v s GLU 89 Ca -0.03 -0.91 -0.11 0.00 0.03 0.00 0.00 54.97 53.94 1s7v s GLU 89 Cb 0.12 0.51 0.12 0.00 -0.80 0.00 0.00 34.13 34.09 1s7v s GLU 89 CO 0.46 -0.59 1.17 -2.14 -1.33 0.00 0.00 175.26 172.83 1s7v s PRO 90 N -3.89 1.24 -0.01 -4.83 0.02 -1.26 -4.88 135.00 121.40 1s7v s PRO 90 Ca 0.11 1.63 0.06 0.00 0.02 0.00 0.00 61.00 62.82 1s7v s PRO 90 Cb -0.01 -1.75 -0.02 0.00 0.02 0.00 0.00 34.50 32.75 1s7v s PRO 90 CO -0.01 -2.48 -0.20 0.21 -0.33 0.00 0.00 177.00 174.18 1s7v s LYS 91 N -4.46 1.59 -0.02 5.54 2.20 -0.34 -4.95 119.74 119.30 1s7v s LYS 91 Ca 0.69 -0.76 0.06 0.00 -0.36 0.00 0.00 55.97 55.61 1s7v s LYS 91 Cb -0.25 -1.57 -0.02 0.00 -1.51 0.00 0.00 37.83 34.49 1s7v s LYS 91 CO 0.55 0.42 -0.20 0.99 -0.36 0.00 0.00 175.35 176.76 1s7v s THR 92 N -0.53 1.57 -0.09 3.43 2.01 -1.26 -0.39 115.64 120.39 1s7v s THR 92 Ca 0.08 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.25 1s7v s THR 92 Cb -0.08 -1.31 0.01 0.00 0.01 0.00 0.00 72.50 71.14 1s7v s THR 92 CO -0.00 0.44 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.55 1s7v s VAL 93 N -0.46 1.31 0.17 3.82 1.01 0.17 -4.96 120.40 121.46 1s7v s VAL 93 Ca 0.08 -0.55 -0.25 0.00 0.00 0.00 0.00 61.98 61.26 1s7v s VAL 93 Cb -0.08 -1.20 -0.08 0.00 0.00 0.00 0.00 36.38 35.02 1s7v s VAL 93 CO -0.01 0.40 0.77 -0.31 0.00 0.00 0.00 175.10 175.95 1s7v s TYR 94 N 0.85 3.88 0.33 5.22 1.51 -1.26 -0.76 117.35 127.10 1s7v s TYR 94 Ca -0.10 1.60 -0.29 0.00 -1.01 0.00 0.00 57.07 57.27 1s7v s TYR 94 Cb -0.15 -2.75 -0.11 0.00 -0.11 0.00 0.00 41.96 38.84 1s7v s TYR 94 CO 0.01 0.49 1.48 -0.46 -1.11 0.00 0.00 175.55 175.96 1s7v s TRP 95 N -1.20 2.78 -0.16 2.71 -0.00 -0.18 -4.86 118.94 118.04 1s7v s TRP 95 Ca 0.36 1.08 -0.03 0.00 -0.00 0.00 0.00 56.10 57.52 1s7v s TRP 95 Cb -0.22 -3.94 0.05 0.00 -0.00 0.00 0.00 33.47 29.35 1s7v s TRP 95 CO 0.25 -2.91 0.03 0.34 -0.00 0.00 0.00 176.95 174.67 1s7v s ASP 96 N 0.05 2.52 0.55 5.86 3.68 -1.26 -4.77 116.67 123.30 1s7v s ASP 96 Ca 0.56 -0.61 0.22 0.00 2.13 0.00 0.00 52.55 54.85 1s7v s ASP 96 Cb -0.45 -0.54 1.49 0.00 -1.45 0.00 0.00 42.92 41.97 1s7v s ASP 96 CO 0.54 -0.28 2.18 0.08 0.13 0.00 0.00 175.17 177.83 1s7v h ARG 97 N 8.27 0.00 0.00 4.34 0.11 -1.95 0.10 114.38 125.26 1s7v h ARG 97 Ca -0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.91 1s7v h ARG 97 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1s7v h ARG 97 CO 0.32 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.14 1s7v n ASP 98 N -4.26 0.00 0.00 0.08 8.00 -1.26 -4.95 116.55 114.16 1s7v n ASP 98 Ca -0.02 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.70 1s7v n ASP 98 Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1s7v n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04