#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7t s GLN 2 N 0.00 0.11 -0.04 0.38 0.74 -1.26 -4.54 119.66 115.05 1s7t s GLN 2 Ca 0.00 0.27 0.05 0.00 0.05 0.00 0.00 55.36 55.72 1s7t s GLN 2 Cb 0.00 -0.57 -0.01 0.00 1.10 0.00 0.00 33.01 33.53 1s7t s GLN 2 CO 0.00 -0.28 -0.17 0.15 -0.55 0.00 0.00 175.29 174.43 1s7t s LYS 3 N 1.88 1.70 0.09 1.67 1.02 -0.47 -4.94 119.74 120.69 1s7t s LYS 3 Ca 0.02 -0.61 -0.30 0.00 0.02 0.00 0.00 55.97 55.10 1s7t s LYS 3 Cb -0.12 -1.51 -0.05 0.00 -0.52 0.00 0.00 37.83 35.62 1s7t s LYS 3 CO -0.03 0.27 1.05 0.99 -0.92 0.00 0.00 175.35 176.71 1s7t s THR 4 N -0.06 4.35 0.39 2.17 2.01 -1.26 -2.29 115.64 120.95 1s7t s THR 4 Ca -0.01 1.83 -0.27 0.00 0.31 0.00 0.00 61.69 63.55 1s7t s THR 4 Cb -0.10 -4.17 -0.09 0.00 0.01 0.00 0.00 72.50 68.14 1s7t s THR 4 CO 0.02 0.22 1.36 -2.16 -0.69 0.00 0.00 174.62 173.36 1s7t s PRO 5 N 0.40 4.02 -0.25 4.92 0.04 -1.26 -4.47 135.00 138.39 1s7t s PRO 5 Ca 0.51 2.28 -0.10 0.00 0.04 0.00 0.00 61.00 63.73 1s7t s PRO 5 Cb -0.25 -2.84 -0.05 0.00 0.04 0.00 0.00 34.50 31.40 1s7t s PRO 5 CO 0.30 -0.49 0.16 -0.65 0.04 0.00 0.00 177.00 176.36 1s7t s GLN 6 N -2.16 4.00 -0.19 4.56 -1.52 -0.22 -4.91 119.66 119.21 1s7t s GLN 6 Ca 0.55 -0.30 -0.05 0.00 -1.95 0.00 0.00 55.36 53.61 1s7t s GLN 6 Cb -0.41 -3.57 -0.03 0.00 -0.22 0.00 0.00 33.01 28.79 1s7t s GLN 6 CO 0.53 -0.04 0.01 0.42 -0.25 0.00 0.00 175.29 175.96 1s7t s ILE 7 N 1.33 4.07 -0.10 1.08 1.01 -1.26 -1.30 121.20 126.04 1s7t s ILE 7 Ca 0.07 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.46 1s7t s ILE 7 Cb -0.14 -2.84 0.02 0.00 0.01 0.00 0.00 42.46 39.51 1s7t s ILE 7 CO 0.07 0.44 -0.12 -1.10 0.00 0.00 0.00 174.94 174.23 1s7t s GLN 8 N 0.85 1.84 -0.07 2.79 -0.21 -0.26 -4.99 119.66 119.62 1s7t s GLN 8 Ca 0.01 -0.42 0.04 0.00 0.02 0.00 0.00 55.36 55.01 1s7t s GLN 8 Cb -0.14 -1.64 -0.02 0.00 1.00 0.00 0.00 33.01 32.21 1s7t s GLN 8 CO 0.02 -0.10 -0.19 0.08 -2.12 0.00 0.00 175.29 172.98 1s7t s VAL 9 N 1.09 2.59 -0.19 1.09 1.01 -1.26 -0.55 120.40 124.18 1s7t s VAL 9 Ca -0.06 -0.88 -0.32 0.00 0.00 0.00 0.00 61.98 60.73 1s7t s VAL 9 Cb -0.14 -2.00 0.15 0.00 0.00 0.00 0.00 36.38 34.39 1s7t s VAL 9 CO -0.02 0.57 1.17 -0.72 0.00 0.00 0.00 175.10 176.10 1s7t s TYR 10 N -0.29 -0.19 0.28 5.22 -0.85 -0.86 -4.66 117.35 116.00 1s7t s TYR 10 Ca 0.01 0.24 0.04 0.00 -0.52 0.00 0.00 57.07 56.84 1s7t s TYR 10 Cb -0.13 0.49 -0.03 0.00 0.38 0.00 0.00 41.96 42.68 1s7t s TYR 10 CO 0.03 -0.22 0.42 -1.54 -1.52 0.00 0.00 175.55 172.71 1s7t s SER 11 N -1.58 6.27 0.10 -0.18 1.04 -1.26 -0.52 113.70 117.57 1s7t s SER 11 Ca 0.06 0.14 -0.31 0.00 0.48 0.00 0.00 55.95 56.31 1s7t s SER 11 Cb -0.01 -1.84 -0.12 0.00 0.10 0.00 0.00 66.02 64.15 1s7t s SER 11 CO -0.04 -0.17 1.50 -0.09 0.98 0.00 0.00 173.24 175.43 1s7t h ARG 12 N 1.04 -0.55 -6.17 4.02 1.12 -1.85 -3.44 114.38 108.54 1s7t h ARG 12 Ca -0.51 0.04 -0.51 0.00 -1.11 0.00 0.00 59.98 57.89 1s7t h ARG 12 Cb 1.23 0.13 -0.05 0.00 -0.01 0.00 0.00 29.97 31.27 1s7t h ARG 12 CO 0.60 -0.37 -0.47 -1.01 -3.11 0.00 0.00 179.97 175.61 1s7t s HIS 13 N -5.47 2.86 0.17 2.20 0.09 -1.26 -5.08 115.29 108.79 1s7t s HIS 13 Ca -0.14 -0.32 -0.34 0.00 -0.00 0.00 0.00 55.06 54.26 1s7t s HIS 13 Cb 0.06 -1.75 -0.14 0.00 -0.00 0.00 0.00 32.58 30.75 1s7t s HIS 13 CO 0.55 0.23 1.49 -2.30 -0.00 0.00 0.00 174.74 174.71 1s7t n PRO 14 N -1.31 1.92 -2.78 8.40 -0.02 -1.26 -4.91 135.00 135.04 1s7t n PRO 14 Ca -0.02 0.69 -0.38 0.00 -2.02 0.00 0.00 63.50 61.77 1s7t n PRO 14 Cb 0.60 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 1s7t n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1s7t s PRO 15 N 0.51 4.65 -0.04 0.52 0.04 -1.26 -5.07 135.00 134.35 1s7t s PRO 15 Ca 0.77 1.36 0.03 0.00 0.04 0.00 0.00 61.00 63.20 1s7t s PRO 15 Cb -0.72 -2.93 0.00 0.00 0.04 0.00 0.00 34.50 30.88 1s7t s PRO 15 CO 0.42 0.35 -0.12 -1.21 0.04 0.00 0.00 177.00 176.48 1s7t s GLU 16 N -1.81 1.35 0.20 4.56 2.02 -1.26 -5.12 118.70 118.63 1s7t s GLU 16 Ca 0.47 -0.43 -0.31 0.00 0.02 0.00 0.00 54.97 54.73 1s7t s GLU 16 Cb -0.21 -1.20 -0.10 0.00 0.10 0.00 0.00 34.13 32.73 1s7t s GLU 16 CO 0.26 0.15 1.46 -0.80 0.02 0.00 0.00 175.26 176.35 1s7t s ASN 17 N 0.19 6.68 0.00 -0.19 0.01 -1.26 -1.92 114.94 118.44 1s7t s ASN 17 Ca -0.05 2.57 0.00 0.00 -0.71 0.00 0.00 52.86 54.67 1s7t s ASN 17 Cb -0.10 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.95 1s7t s ASN 17 CO 0.01 -0.71 0.00 0.61 -1.51 0.00 0.00 177.10 175.50 1s7t n GLY 18 N 2.91 2.90 3.70 0.66 0.00 -0.76 -5.02 105.19 109.57 1s7t n GLY 18 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1s7t n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s7t s LYS 19 N -0.35 4.28 0.22 1.61 2.20 -0.81 -4.96 119.74 121.94 1s7t s LYS 19 Ca 0.00 0.44 -0.31 0.00 -0.36 0.00 0.00 55.97 55.74 1s7t s LYS 19 Cb 0.00 -3.49 -0.15 0.00 -1.51 0.00 0.00 37.83 32.69 1s7t s LYS 19 CO 0.00 0.03 1.19 -2.30 -0.36 0.00 0.00 175.35 173.91 1s7t n PRO 20 N 4.12 1.46 -3.98 4.03 -0.02 -1.26 -4.26 135.00 135.10 1s7t n PRO 20 Ca -0.06 0.52 -0.10 0.00 -2.02 0.00 0.00 63.50 61.84 1s7t n PRO 20 Cb 0.51 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.93 1s7t n PRO 20 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1s7t s ASN 21 N -0.08 0.14 -0.10 2.55 3.84 -0.82 -5.02 114.94 115.45 1s7t s ASN 21 Ca 0.68 -1.06 0.04 0.00 0.21 0.00 0.00 52.86 52.72 1s7t s ASN 21 Cb -0.75 0.66 -0.01 0.00 -0.55 0.00 0.00 41.25 40.60 1s7t s ASN 21 CO 0.54 -1.29 -0.22 -0.63 -2.79 0.00 0.00 177.10 172.72 1s7t s ILE 22 N -3.51 2.30 -0.14 -5.21 1.01 -1.26 -2.56 121.20 111.82 1s7t s ILE 22 Ca 0.22 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.76 1s7t s ILE 22 Cb -0.02 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 1s7t s ILE 22 CO 0.12 0.56 0.41 -0.22 0.00 0.00 0.00 174.94 175.81 1s7t s LEU 23 N 0.21 4.26 0.07 2.97 2.96 -0.40 -2.23 118.68 126.51 1s7t s LEU 23 Ca -0.13 0.70 0.07 0.00 -0.22 0.00 0.00 54.13 54.54 1s7t s LEU 23 Cb -0.17 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 1s7t s LEU 23 CO 0.07 0.03 -0.15 0.20 -1.32 0.00 0.00 176.35 175.18 1s7t s ASN 24 N 0.60 4.05 -0.25 3.68 0.01 0.32 -1.73 114.94 121.62 1s7t s ASN 24 Ca 0.22 -0.41 -0.02 0.00 -0.71 0.00 0.00 52.86 51.94 1s7t s ASN 24 Cb -0.14 -0.70 0.08 0.00 0.41 0.00 0.00 41.25 40.90 1s7t s ASN 24 CO 0.08 0.22 0.08 0.00 -1.51 0.00 0.00 177.10 175.97 1s7t s TYR 26 N 1.82 3.36 -0.25 0.00 5.04 0.29 -1.35 117.35 126.26 1s7t s TYR 26 Ca 0.05 0.72 -0.00 0.00 -2.44 0.00 0.00 57.07 55.39 1s7t s TYR 26 Cb -0.17 -2.64 0.03 0.00 0.35 0.00 0.00 41.96 39.53 1s7t s TYR 26 CO -0.20 -0.10 -0.08 0.08 -1.34 0.00 0.00 175.55 173.91 1s7t s VAL 27 N 1.62 2.65 0.28 3.14 1.01 -0.30 -1.10 120.40 127.70 1s7t s VAL 27 Ca 0.23 -1.15 0.04 0.00 0.00 0.00 0.00 61.98 61.10 1s7t s VAL 27 Cb -0.15 -2.37 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 1s7t s VAL 27 CO 0.09 0.18 0.01 0.42 0.00 0.00 0.00 175.10 175.80 1s7t s THR 28 N 1.28 1.25 -1.49 3.92 -4.23 -0.42 -1.11 115.64 114.84 1s7t s THR 28 Ca -0.01 -2.04 -0.04 0.00 -1.18 0.00 0.00 61.69 58.41 1s7t s THR 28 Cb -0.17 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.12 1s7t s THR 28 CO -0.05 -0.19 0.58 0.00 -0.54 0.00 0.00 174.62 174.42 1s7t n GLN 29 N -0.57 -4.70 -4.27 3.99 6.02 -0.47 -1.06 117.38 116.33 1s7t n GLN 29 Ca -0.04 0.87 -0.30 0.00 -0.01 0.00 0.00 57.00 57.52 1s7t n GLN 29 Cb 0.65 -5.64 -0.10 0.00 1.02 0.00 0.00 30.24 26.17 1s7t n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1s7t s PHE 30 N -3.15 2.69 -0.21 1.08 -0.71 -1.12 -4.21 117.98 112.34 1s7t s PHE 30 Ca 0.29 -0.18 -0.17 0.00 -1.04 0.00 0.00 56.93 55.82 1s7t s PHE 30 Cb -0.13 -1.42 0.06 0.00 -1.21 0.00 0.00 43.02 40.33 1s7t s PHE 30 CO 0.36 0.41 0.55 -1.58 -1.34 0.00 0.00 175.22 173.62 1s7t s HIS 31 N -1.18 -0.67 1.02 3.49 2.46 -0.97 -0.93 115.29 118.50 1s7t s HIS 31 Ca 0.20 1.55 -0.16 0.00 0.47 0.00 0.00 55.06 57.12 1s7t s HIS 31 Cb -0.11 0.28 0.21 0.00 -0.13 0.00 0.00 32.58 32.82 1s7t s HIS 31 CO 0.12 -0.33 1.21 -1.25 -2.47 0.00 0.00 174.74 172.02 1s7t s PRO 32 N 0.66 0.26 0.52 2.88 0.04 -1.26 -1.37 135.00 136.72 1s7t s PRO 32 Ca -0.03 -0.13 0.29 0.00 0.04 0.00 0.00 61.00 61.17 1s7t s PRO 32 Cb -0.05 -1.78 1.39 0.00 0.04 0.00 0.00 34.50 34.10 1s7t s PRO 32 CO -0.04 -2.71 2.02 -1.00 0.04 0.00 0.00 177.00 175.30 1s7t h PRO 33 N -1.86 0.00 -6.51 0.56 0.13 -1.99 -3.44 132.00 118.88 1s7t h PRO 33 Ca -0.46 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.14 1s7t h PRO 33 Cb 1.28 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.44 1s7t h PRO 33 CO 0.43 0.12 0.94 -1.58 -0.23 0.00 0.00 178.00 177.69 1s7t s HIS 34 N -3.97 2.69 0.01 1.56 2.46 -1.26 -4.97 115.29 111.80 1s7t s HIS 34 Ca -0.02 0.46 -0.24 0.00 0.47 0.00 0.00 55.06 55.73 1s7t s HIS 34 Cb 0.12 -3.94 0.05 0.00 -0.13 0.00 0.00 32.58 28.68 1s7t s HIS 34 CO 0.58 -3.64 0.55 -1.50 -2.47 0.00 0.00 174.74 168.26 1s7t s ILE 35 N 2.03 0.02 -0.13 0.89 2.07 -1.26 -4.62 121.20 120.20 1s7t s ILE 35 Ca 0.72 -0.18 0.01 0.00 -1.41 0.00 0.00 60.65 59.79 1s7t s ILE 35 Cb -0.41 -0.93 0.02 0.00 0.13 0.00 0.00 42.46 41.27 1s7t s ILE 35 CO 0.32 -0.10 -0.17 -0.70 -1.91 0.00 0.00 174.94 172.38 1s7t s GLU 36 N -1.85 2.50 -0.13 3.50 2.12 -0.59 -4.99 118.70 119.26 1s7t s GLU 36 Ca -0.08 -0.66 0.02 0.00 0.36 0.00 0.00 54.97 54.61 1s7t s GLU 36 Cb -0.01 -2.14 0.01 0.00 0.26 0.00 0.00 34.13 32.26 1s7t s GLU 36 CO 0.03 -0.11 -0.19 0.42 -0.54 0.00 0.00 175.26 174.88 1s7t s ILE 37 N 1.10 1.82 -0.09 -3.70 1.01 -1.26 -1.14 121.20 118.93 1s7t s ILE 37 Ca -0.03 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.81 1s7t s ILE 37 Cb -0.14 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.71 1s7t s ILE 37 CO -0.05 0.50 -0.12 -1.10 0.00 0.00 0.00 174.94 174.18 1s7t s GLN 38 N 1.00 1.80 -0.03 2.79 -0.21 0.58 -4.98 119.66 120.60 1s7t s GLN 38 Ca -0.04 -0.41 -0.16 0.00 0.02 0.00 0.00 55.36 54.77 1s7t s GLN 38 Cb -0.15 -1.59 -0.05 0.00 1.00 0.00 0.00 33.01 32.22 1s7t s GLN 38 CO -0.04 -0.08 0.43 -1.64 -2.12 0.00 0.00 175.29 171.84 1s7t s MET 39 N 1.04 4.05 -0.02 2.91 -1.94 -1.26 0.15 119.30 124.24 1s7t s MET 39 Ca -0.07 0.42 0.07 0.00 -1.71 0.00 0.00 55.69 54.41 1s7t s MET 39 Cb -0.15 -3.28 -0.02 0.00 2.01 0.00 0.00 34.83 33.39 1s7t s MET 39 CO -0.01 0.54 -0.24 -0.51 -0.01 0.00 0.00 175.02 174.79 1s7t s LEU 40 N -0.60 2.04 -0.19 -0.03 1.43 0.93 -0.90 118.68 121.36 1s7t s LEU 40 Ca 0.24 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1s7t s LEU 40 Cb -0.16 -1.22 0.02 0.00 0.03 0.00 0.00 46.19 44.86 1s7t s LEU 40 CO 0.12 0.29 -0.18 -0.75 0.23 0.00 0.00 176.35 176.06 1s7t s LYS 41 N -0.52 3.02 -1.49 1.70 2.20 -0.29 -1.79 119.74 122.56 1s7t s LYS 41 Ca 0.08 -0.82 -0.11 0.00 -0.36 0.00 0.00 55.97 54.76 1s7t s LYS 41 Cb -0.09 -2.62 0.07 0.00 -1.51 0.00 0.00 37.83 33.68 1s7t s LYS 41 CO -0.01 -0.21 0.92 0.09 -0.36 0.00 0.00 175.35 175.78 1s7t n ASN 42 N 4.64 -4.01 0.00 1.43 3.02 0.06 -1.39 115.26 118.99 1s7t n ASN 42 Ca -0.21 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1s7t n ASN 42 Cb 0.50 -3.87 0.00 0.00 -0.61 0.00 0.00 39.78 35.80 1s7t n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s7t n GLY 43 N -1.68 0.72 3.23 7.41 0.00 -1.26 -5.02 105.19 108.59 1s7t n GLY 43 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1s7t n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s7t s LYS 44 N -0.11 2.79 -0.05 1.61 2.20 -0.49 -5.05 119.74 120.64 1s7t s LYS 44 Ca 0.00 -0.86 -0.37 0.00 -0.36 0.00 0.00 55.97 54.38 1s7t s LYS 44 Cb 0.00 -2.20 -0.15 0.00 -1.51 0.00 0.00 37.83 33.98 1s7t s LYS 44 CO 0.00 0.25 1.61 1.17 -0.36 0.00 0.00 175.35 178.02 1s7t n LYS 45 N 3.32 1.53 -2.58 4.03 4.81 -1.26 -1.14 118.16 126.87 1s7t n LYS 45 Ca -0.19 0.56 -0.43 0.00 -0.87 0.00 0.00 58.31 57.39 1s7t n LYS 45 Cb 0.53 -2.27 -0.02 0.00 0.02 0.00 0.00 35.03 33.28 1s7t n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1s7t s ILE 46 N 2.21 4.53 0.03 3.15 1.01 -0.08 -4.85 121.20 127.20 1s7t s ILE 46 Ca 0.89 1.83 -0.22 0.00 0.00 0.00 0.00 60.65 63.15 1s7t s ILE 46 Cb -0.89 -4.18 -0.15 0.00 0.01 0.00 0.00 42.46 37.25 1s7t s ILE 46 CO 0.52 -0.03 1.38 1.55 0.00 0.00 0.00 174.94 178.35 1s7t h PRO 47 N 7.37 0.23 -3.83 2.79 0.13 -1.92 -3.40 132.00 133.38 1s7t h PRO 47 Ca -0.30 -0.10 -0.76 0.00 -0.87 0.00 0.00 66.00 63.96 1s7t h PRO 47 Cb 1.14 -0.01 -0.28 0.00 0.13 0.00 0.00 31.00 31.98 1s7t h PRO 47 CO 0.89 0.59 -0.06 0.15 -0.23 0.00 0.00 178.00 179.34 1s7t s LYS 48 N -4.54 3.26 -0.19 0.86 1.02 -1.26 -5.01 119.74 113.89 1s7t s LYS 48 Ca -0.15 -2.38 0.01 0.00 0.02 0.00 0.00 55.97 53.48 1s7t s LYS 48 Cb 0.05 -4.24 0.03 0.00 -0.52 0.00 0.00 37.83 33.15 1s7t s LYS 48 CO 0.72 -1.26 -0.15 0.08 -0.92 0.00 0.00 175.35 173.82 1s7t s VAL 49 N 0.30 1.86 -0.02 3.17 1.01 -1.26 -4.63 120.40 120.83 1s7t s VAL 49 Ca 0.16 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 1s7t s VAL 49 Cb -0.15 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 1s7t s VAL 49 CO -0.06 0.36 0.47 -1.61 0.00 0.00 0.00 175.10 174.26 1s7t s GLU 50 N 1.34 4.14 -0.07 2.72 8.01 -0.55 -4.90 118.70 129.39 1s7t s GLU 50 Ca 0.02 0.51 -0.11 0.00 0.01 0.00 0.00 54.97 55.40 1s7t s GLU 50 Cb -0.15 -3.30 -0.05 0.00 -4.31 0.00 0.00 34.13 26.33 1s7t s GLU 50 CO -0.10 0.49 0.28 -1.64 0.01 0.00 0.00 175.26 174.30 1s7t s MET 51 N -0.49 3.76 0.32 1.61 -1.94 -1.26 -1.15 119.30 120.14 1s7t s MET 51 Ca 0.26 0.14 -0.16 0.00 -1.71 0.00 0.00 55.69 54.22 1s7t s MET 51 Cb -0.17 -3.23 0.03 0.00 2.01 0.00 0.00 34.83 33.46 1s7t s MET 51 CO 0.14 0.67 0.67 -1.54 -0.01 0.00 0.00 175.02 174.96 1s7t s SER 52 N -0.87 -0.02 -1.36 3.03 1.04 0.18 -5.00 113.70 110.70 1s7t s SER 52 Ca 0.19 -0.94 -0.05 0.00 0.48 0.00 0.00 55.95 55.63 1s7t s SER 52 Cb -0.14 0.74 0.03 0.00 0.10 0.00 0.00 66.02 66.74 1s7t s SER 52 CO 0.08 -1.42 0.91 0.47 0.98 0.00 0.00 173.24 174.26 1s7t n ASP 53 N -0.86 -3.21 -4.69 7.02 9.92 -1.26 -0.41 116.55 123.05 1s7t n ASP 53 Ca -0.05 -0.73 -0.42 0.00 -0.53 0.00 0.00 54.79 53.06 1s7t n ASP 53 Cb 0.60 -4.35 -0.03 0.00 -0.64 0.00 0.00 41.12 36.70 1s7t n ASP 53 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1s7t s MET 54 N -6.11 4.39 0.26 -1.24 1.75 -1.26 -4.14 119.30 112.94 1s7t s MET 54 Ca 0.29 1.53 -0.01 0.00 -1.25 0.00 0.00 55.69 56.25 1s7t s MET 54 Cb -0.14 -3.54 0.00 0.00 2.84 0.00 0.00 34.83 33.99 1s7t s MET 54 CO 0.79 -0.37 0.34 -1.13 -0.65 0.00 0.00 175.02 174.00 1s7t n SER 55 N 5.05 -0.95 -4.21 1.11 3.41 -0.73 -5.00 113.62 112.29 1s7t n SER 55 Ca 0.10 -2.41 -0.17 0.00 -0.26 0.00 0.00 58.87 56.13 1s7t n SER 55 Cb 0.48 1.80 -0.11 0.00 -0.26 0.00 0.00 64.21 66.11 1s7t n SER 55 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1s7t s PHE 56 N -3.43 1.26 0.97 7.33 -0.71 -1.26 -0.89 117.98 121.25 1s7t s PHE 56 Ca 0.22 -0.58 -0.15 0.00 -1.04 0.00 0.00 56.93 55.38 1s7t s PHE 56 Cb -0.00 -0.67 0.22 0.00 -1.21 0.00 0.00 43.02 41.35 1s7t s PHE 56 CO 0.16 0.09 1.32 -1.54 -1.34 0.00 0.00 175.22 173.90 1s7t s SER 57 N -2.39 2.96 0.45 1.98 1.04 -0.89 -4.91 113.70 111.93 1s7t s SER 57 Ca 0.07 0.07 0.11 0.00 0.48 0.00 0.00 55.95 56.68 1s7t s SER 57 Cb -0.05 -0.04 1.02 0.00 0.10 0.00 0.00 66.02 67.05 1s7t s SER 57 CO 0.02 -2.82 2.07 0.50 0.98 0.00 0.00 173.24 174.00 1s7t h LYS 58 N -1.64 0.35 -0.18 4.02 3.64 -2.02 -2.05 116.57 118.69 1s7t h LYS 58 Ca -0.43 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1s7t h LYS 58 Cb 1.22 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1s7t h LYS 58 CO 0.32 0.23 0.00 -0.40 -2.27 0.00 0.00 179.45 177.33 1s7t n ASP 59 N -4.49 1.10 0.00 4.20 5.68 -1.26 -4.91 116.55 116.88 1s7t n ASP 59 Ca 0.03 -1.86 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 1s7t n ASP 59 Cb 0.13 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 1s7t n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1s7t n TRP 60 N 0.05 0.00 -2.27 2.11 7.02 -0.77 -5.03 117.44 118.55 1s7t n TRP 60 Ca 0.10 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.23 1s7t n TRP 60 Cb 0.20 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.08 1s7t n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1s7t s SER 61 N -3.10 5.81 0.16 -0.99 1.04 -1.26 -4.72 113.70 110.65 1s7t s SER 61 Ca 0.00 2.09 -0.13 0.00 0.48 0.00 0.00 55.95 58.39 1s7t s SER 61 Cb 0.00 -2.57 -0.07 0.00 0.10 0.00 0.00 66.02 63.48 1s7t s SER 61 CO 0.00 -1.15 0.55 -0.36 0.98 0.00 0.00 173.24 173.26 1s7t s PHE 62 N -1.89 3.57 -0.02 5.02 0.40 -0.11 -2.09 117.98 122.86 1s7t s PHE 62 Ca 0.71 1.02 0.03 0.00 -0.60 0.00 0.00 56.93 58.09 1s7t s PHE 62 Cb -0.22 -2.35 -0.00 0.00 0.51 0.00 0.00 43.02 40.96 1s7t s PHE 62 CO 0.27 0.40 -0.11 0.71 0.70 0.00 0.00 175.22 177.19 1s7t s TYR 63 N -1.53 1.07 -0.13 0.36 1.51 -0.07 -1.37 117.35 117.20 1s7t s TYR 63 Ca 0.40 -0.25 -0.18 0.00 -1.01 0.00 0.00 57.07 56.02 1s7t s TYR 63 Cb -0.14 -0.73 0.04 0.00 -0.11 0.00 0.00 41.96 41.02 1s7t s TYR 63 CO 0.19 -0.08 0.47 -1.50 -1.11 0.00 0.00 175.55 173.53 1s7t s ILE 64 N 0.01 0.01 -0.15 2.71 2.07 -0.27 -1.78 121.20 123.81 1s7t s ILE 64 Ca -0.00 -0.10 -0.06 0.00 -1.41 0.00 0.00 60.65 59.07 1s7t s ILE 64 Cb -0.07 -0.70 -0.04 0.00 0.13 0.00 0.00 42.46 41.77 1s7t s ILE 64 CO 0.00 -0.05 0.07 -0.22 -1.91 0.00 0.00 174.94 172.83 1s7t s LEU 65 N -0.26 3.94 -0.14 8.50 2.96 0.45 -1.15 118.68 132.98 1s7t s LEU 65 Ca -0.04 0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 54.05 1s7t s LEU 65 Cb -0.03 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 1s7t s LEU 65 CO 0.03 0.28 -0.06 0.00 -1.32 0.00 0.00 176.35 175.28 1s7t s ALA 66 N -0.27 2.93 0.02 5.97 0.00 -0.46 -0.65 121.76 129.30 1s7t s ALA 66 Ca 0.09 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 51.14 1s7t s ALA 66 Cb -0.12 -1.44 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 1s7t s ALA 66 CO 0.01 0.28 0.11 -3.38 0.00 0.00 0.00 175.76 172.78 1s7t s HIS 67 N 0.17 0.12 0.03 0.00 -3.43 -0.30 -0.57 115.29 111.31 1s7t s HIS 67 Ca -0.03 -0.31 -0.18 0.00 -0.80 0.00 0.00 55.06 53.73 1s7t s HIS 67 Cb -0.14 -0.09 0.04 0.00 -1.43 0.00 0.00 32.58 30.95 1s7t s HIS 67 CO 0.03 -0.32 0.41 -0.08 -2.00 0.00 0.00 174.74 172.79 1s7t s THR 68 N -1.90 0.05 0.38 -5.38 -1.32 -0.71 -1.48 115.64 105.28 1s7t s THR 68 Ca -0.11 -0.44 -0.26 0.00 -1.21 0.00 0.00 61.69 59.67 1s7t s THR 68 Cb -0.05 -0.92 -0.09 0.00 -1.51 0.00 0.00 72.50 69.93 1s7t s THR 68 CO -0.01 -0.24 1.14 -0.70 -2.21 0.00 0.00 174.62 172.59 1s7t s GLU 69 N -2.31 4.19 -0.03 7.08 2.12 -1.26 -1.28 118.70 127.21 1s7t s GLU 69 Ca -0.06 1.78 -0.29 0.00 0.36 0.00 0.00 54.97 56.75 1s7t s GLU 69 Cb -0.01 -2.75 0.09 0.00 0.26 0.00 0.00 34.13 31.72 1s7t s GLU 69 CO -0.01 -0.18 0.77 -0.59 -0.54 0.00 0.00 175.26 174.70 1s7t s PHE 70 N -1.41 -0.53 -0.31 5.30 -0.71 -1.06 -4.84 117.98 114.42 1s7t s PHE 70 Ca 0.55 0.74 0.00 0.00 -1.04 0.00 0.00 56.93 57.18 1s7t s PHE 70 Cb -0.29 0.46 0.07 0.00 -1.21 0.00 0.00 43.02 42.05 1s7t s PHE 70 CO 0.37 -0.58 0.01 0.99 -1.34 0.00 0.00 175.22 174.67 1s7t s THR 71 N -1.91 2.72 0.52 -4.49 2.01 -1.26 -1.95 115.64 111.28 1s7t s THR 71 Ca -0.04 -1.69 -0.22 0.00 0.31 0.00 0.00 61.69 60.04 1s7t s THR 71 Cb -0.00 -2.68 -0.06 0.00 0.01 0.00 0.00 72.50 69.77 1s7t s THR 71 CO 0.01 -0.25 1.34 -2.16 -0.69 0.00 0.00 174.62 172.87 1s7t s PRO 72 N 1.15 3.29 0.33 4.92 0.04 -1.26 -4.82 135.00 138.64 1s7t s PRO 72 Ca -0.02 2.19 0.02 0.00 0.04 0.00 0.00 61.00 63.23 1s7t s PRO 72 Cb -0.20 -2.32 -0.01 0.00 0.04 0.00 0.00 34.50 32.01 1s7t s PRO 72 CO -0.04 -1.06 0.07 0.25 0.04 0.00 0.00 177.00 176.27 1s7t n THR 73 N -0.86 0.00 -0.06 1.26 -2.24 -1.26 -1.83 114.28 109.28 1s7t n THR 73 Ca 0.09 -1.76 -0.15 0.00 -2.27 0.00 0.00 64.05 59.97 1s7t n THR 73 Cb 0.45 0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 69.15 1s7t n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1s7t h GLU 74 N 0.00 0.64 0.00 -0.78 4.57 -1.98 -3.34 114.58 113.69 1s7t h GLU 74 Ca -0.26 -0.42 -0.19 0.00 -1.18 0.00 0.00 59.36 57.31 1s7t h GLU 74 Cb 0.91 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.52 1s7t h GLU 74 CO 0.42 1.03 -0.92 1.79 -1.18 0.00 0.00 179.01 180.15 1s7t h THR 75 N 0.33 1.55 -3.66 0.32 1.35 -2.02 -3.46 112.91 107.32 1s7t h THR 75 Ca 0.01 -3.20 -0.52 0.00 -0.55 0.00 0.00 66.41 62.15 1s7t h THR 75 Cb 1.01 2.76 0.03 0.00 -1.73 0.00 0.00 68.15 70.22 1s7t h THR 75 CO 0.09 0.88 0.55 -1.81 -0.25 0.00 0.00 175.52 174.99 1s7t s ASP 76 N -6.65 7.07 -0.10 5.36 1.01 -1.26 -5.03 116.67 117.08 1s7t s ASP 76 Ca 0.01 2.35 0.01 0.00 0.71 0.00 0.00 52.55 55.63 1s7t s ASP 76 Cb 0.10 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 1s7t s ASP 76 CO 0.81 -0.34 -0.11 -0.89 0.21 0.00 0.00 175.17 174.85 1s7t s THR 77 N -0.62 3.26 0.10 -1.27 2.01 -1.26 -4.79 115.64 113.07 1s7t s THR 77 Ca 0.50 -0.61 0.09 0.00 0.31 0.00 0.00 61.69 61.98 1s7t s THR 77 Cb -0.34 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 1s7t s THR 77 CO 0.41 0.55 -0.24 -0.31 -0.69 0.00 0.00 174.62 174.34 1s7t s TYR 78 N -0.13 2.06 0.19 4.92 1.51 -1.26 -0.76 117.35 123.88 1s7t s TYR 78 Ca -0.00 -0.40 -0.20 0.00 -1.01 0.00 0.00 57.07 55.46 1s7t s TYR 78 Cb -0.13 -1.14 0.04 0.00 -0.11 0.00 0.00 41.96 40.62 1s7t s TYR 78 CO 0.03 0.24 0.59 0.00 -1.11 0.00 0.00 175.55 175.30 1s7t s ALA 79 N -1.05 -1.25 -0.07 3.71 0.00 -0.74 -0.54 121.76 121.82 1s7t s ALA 79 Ca 0.10 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.12 1s7t s ALA 79 Cb -0.10 0.86 0.02 0.00 0.00 0.00 0.00 23.12 23.90 1s7t s ALA 79 CO 0.05 -0.83 -0.09 0.00 0.00 0.00 0.00 175.76 174.88 1s7t s ARG 81 N 0.96 3.20 -0.07 0.00 3.52 0.12 -0.69 118.95 126.00 1s7t s ARG 81 Ca -0.10 -0.69 0.01 0.00 -0.13 0.00 0.00 55.73 54.82 1s7t s ARG 81 Cb -0.15 -2.57 0.02 0.00 -1.56 0.00 0.00 34.95 30.69 1s7t s ARG 81 CO 0.00 0.30 -0.08 0.08 -0.81 0.00 0.00 175.30 174.79 1s7t s VAL 82 N 0.13 0.85 -0.13 7.11 1.01 -0.61 -0.31 120.40 128.44 1s7t s VAL 82 Ca -0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 1s7t s VAL 82 Cb -0.15 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 1s7t s VAL 82 CO 0.05 0.30 -0.06 -0.54 0.00 0.00 0.00 175.10 174.85 1s7t s LYS 83 N 1.04 3.45 -0.08 2.72 1.02 -0.29 -2.11 119.74 125.49 1s7t s LYS 83 Ca -0.08 -0.56 -0.20 0.00 0.02 0.00 0.00 55.97 55.15 1s7t s LYS 83 Cb -0.14 -2.79 0.04 0.00 -0.52 0.00 0.00 37.83 34.42 1s7t s LYS 83 CO -0.00 0.31 0.47 -1.58 -0.92 0.00 0.00 175.35 173.62 1s7t s HIS 84 N 0.15 -0.43 0.48 3.18 2.46 -1.26 -1.53 115.29 118.34 1s7t s HIS 84 Ca -0.03 0.85 0.41 0.00 0.47 0.00 0.00 55.06 56.76 1s7t s HIS 84 Cb -0.14 0.21 2.07 0.00 -0.13 0.00 0.00 32.58 34.59 1s7t s HIS 84 CO 0.03 -0.40 2.24 -0.44 -2.47 0.00 0.00 174.74 173.71 1s7t h ASP 85 N 4.17 0.00 0.51 9.88 3.32 -1.94 -1.31 116.42 131.05 1s7t h ASP 85 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1s7t h ASP 85 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1s7t h ASP 85 CO 0.33 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.31 1s7t n SER 86 N -3.11 0.51 -4.09 6.45 3.41 -1.26 -4.66 113.62 110.88 1s7t n SER 86 Ca -0.02 0.65 -0.26 0.00 -0.26 0.00 0.00 58.87 58.98 1s7t n SER 86 Cb 0.15 -0.75 -0.17 0.00 -0.26 0.00 0.00 64.21 63.18 1s7t n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1s7t s MET 87 N -3.30 2.01 0.45 4.33 -1.94 -0.49 -4.93 119.30 115.43 1s7t s MET 87 Ca 0.03 -0.55 0.22 0.00 -1.71 0.00 0.00 55.69 53.68 1s7t s MET 87 Cb 0.08 -1.63 1.09 0.00 2.01 0.00 0.00 34.83 36.38 1s7t s MET 87 CO 0.31 0.10 1.93 0.00 -0.01 0.00 0.00 175.02 177.36 1s7t h ALA 88 N 6.77 1.24 -4.53 3.03 0.00 -1.82 -3.43 119.26 120.53 1s7t h ALA 88 Ca -0.28 -0.21 -0.68 0.00 0.00 0.00 0.00 54.91 53.74 1s7t h ALA 88 Cb 1.20 -0.04 -0.29 0.00 0.00 0.00 0.00 17.79 18.66 1s7t h ALA 88 CO 0.47 0.28 -0.88 -2.00 0.00 0.00 0.00 179.25 177.13 1s7t s GLU 89 N -4.05 1.98 0.24 0.00 2.56 -1.26 -5.11 118.70 113.05 1s7t s GLU 89 Ca -0.02 -0.91 -0.31 0.00 0.00 0.00 0.00 54.97 53.73 1s7t s GLU 89 Cb 0.13 -1.94 -0.14 0.00 2.00 0.00 0.00 34.13 34.18 1s7t s GLU 89 CO 0.64 0.53 1.37 -2.30 -0.56 0.00 0.00 175.26 174.94 1s7t n PRO 90 N 2.39 1.94 -4.08 4.30 -0.02 -1.26 -4.90 135.00 133.37 1s7t n PRO 90 Ca -0.16 0.69 -0.35 0.00 -2.02 0.00 0.00 63.50 61.66 1s7t n PRO 90 Cb 0.52 -2.32 -0.12 0.00 -0.02 0.00 0.00 33.50 31.55 1s7t n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1s7t s LYS 91 N -0.48 3.69 -0.14 -0.52 2.20 -0.90 -4.95 119.74 118.64 1s7t s LYS 91 Ca 0.68 -0.49 -0.05 0.00 -0.36 0.00 0.00 55.97 55.75 1s7t s LYS 91 Cb -0.67 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 1s7t s LYS 91 CO 0.51 0.07 0.02 0.99 -0.36 0.00 0.00 175.35 176.57 1s7t s THR 92 N 0.88 4.47 -0.12 3.43 2.01 -1.26 -1.57 115.64 123.47 1s7t s THR 92 Ca 0.01 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 61.87 1s7t s THR 92 Cb -0.14 -2.96 -0.01 0.00 0.01 0.00 0.00 72.50 69.40 1s7t s THR 92 CO 0.02 0.52 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.59 1s7t s VAL 93 N -0.08 2.49 0.05 3.82 1.01 0.14 -4.95 120.40 122.88 1s7t s VAL 93 Ca 0.05 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 1s7t s VAL 93 Cb -0.12 -2.00 -0.06 0.00 0.00 0.00 0.00 36.38 34.20 1s7t s VAL 93 CO 0.02 0.54 0.38 -0.31 0.00 0.00 0.00 175.10 175.73 1s7t s TYR 94 N 0.42 3.61 -0.22 5.22 1.51 -1.26 -0.82 117.35 125.81 1s7t s TYR 94 Ca -0.14 0.80 -0.29 0.00 -1.01 0.00 0.00 57.07 56.43 1s7t s TYR 94 Cb -0.17 -2.16 -0.04 0.00 -0.11 0.00 0.00 41.96 39.48 1s7t s TYR 94 CO 0.06 0.56 1.89 -0.46 -1.11 0.00 0.00 175.55 176.49 1s7t s TRP 95 N -1.31 1.64 -0.58 2.71 -0.00 0.29 -4.89 118.94 116.80 1s7t s TRP 95 Ca 0.30 0.44 -0.19 0.00 -0.00 0.00 0.00 56.10 56.65 1s7t s TRP 95 Cb -0.14 -4.04 0.10 0.00 -0.00 0.00 0.00 33.47 29.38 1s7t s TRP 95 CO 0.16 -3.60 0.68 0.34 -0.00 0.00 0.00 176.95 174.53 1s7t s ASP 96 N 5.98 6.19 0.44 5.86 -1.08 -1.26 -4.80 116.67 127.99 1s7t s ASP 96 Ca 0.84 -1.40 0.15 0.00 -0.52 0.00 0.00 52.55 51.63 1s7t s ASP 96 Cb -0.29 -2.29 0.98 0.00 -1.46 0.00 0.00 42.92 39.86 1s7t s ASP 96 CO 0.34 -1.07 1.96 0.03 0.52 0.00 0.00 175.17 176.94 1s7t h ARG 97 N 9.15 0.00 -0.01 4.34 3.08 -1.96 -3.11 114.38 125.87 1s7t h ARG 97 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1s7t h ARG 97 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1s7t h ARG 97 CO 1.08 0.22 -0.38 -0.25 -1.07 0.00 0.00 179.97 179.57 1s7t n ASP 98 N -4.19 1.09 0.00 7.04 8.00 -1.26 -4.82 116.55 122.41 1s7t n ASP 98 Ca -0.02 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.60 1s7t n ASP 98 Cb 0.29 0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 1s7t n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61