#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7x s GLN 2 N 0.00 3.49 -0.10 9.51 -1.52 -1.26 -4.76 119.66 125.02 1s7x s GLN 2 Ca 0.00 2.03 0.01 0.00 -1.95 0.00 0.00 55.36 55.45 1s7x s GLN 2 Cb 0.00 -2.37 0.02 0.00 -0.22 0.00 0.00 33.01 30.44 1s7x s GLN 2 CO 0.00 -0.85 -0.11 0.15 -0.25 0.00 0.00 175.29 174.23 1s7x s LYS 3 N -2.75 1.78 0.13 2.91 1.02 -0.45 -4.94 119.74 117.43 1s7x s LYS 3 Ca 0.67 -0.39 -0.30 0.00 0.02 0.00 0.00 55.97 55.97 1s7x s LYS 3 Cb -0.35 -1.62 -0.06 0.00 -0.52 0.00 0.00 37.83 35.28 1s7x s LYS 3 CO 0.42 -0.12 0.94 -0.08 -0.92 0.00 0.00 175.35 175.60 1s7x s THR 4 N 1.17 4.44 0.38 2.17 -1.32 -1.26 -2.50 115.64 118.72 1s7x s THR 4 Ca -0.04 2.05 -0.26 0.00 -1.21 0.00 0.00 61.69 62.22 1s7x s THR 4 Cb -0.14 -4.31 -0.09 0.00 -1.51 0.00 0.00 72.50 66.45 1s7x s THR 4 CO -0.03 0.35 1.19 -2.16 -2.21 0.00 0.00 174.62 171.77 1s7x s PRO 5 N -0.22 4.17 -0.14 7.08 0.04 -1.26 -4.56 135.00 140.09 1s7x s PRO 5 Ca 0.45 1.91 -0.07 0.00 0.04 0.00 0.00 61.00 63.34 1s7x s PRO 5 Cb -0.24 -2.80 -0.04 0.00 0.04 0.00 0.00 34.50 31.46 1s7x s PRO 5 CO 0.30 -0.25 0.09 -0.65 0.04 0.00 0.00 177.00 176.53 1s7x s GLN 6 N -2.11 3.63 -0.02 4.56 -1.52 -0.56 -4.94 119.66 118.69 1s7x s GLN 6 Ca 0.54 -0.25 0.06 0.00 -1.95 0.00 0.00 55.36 53.76 1s7x s GLN 6 Cb -0.33 -3.17 -0.01 0.00 -0.22 0.00 0.00 33.01 29.28 1s7x s GLN 6 CO 0.42 0.55 -0.19 0.42 -0.25 0.00 0.00 175.29 176.24 1s7x s ILE 7 N -0.40 1.54 -0.01 1.08 1.01 -1.26 -1.46 121.20 121.69 1s7x s ILE 7 Ca 0.10 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.97 1s7x s ILE 7 Cb -0.12 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.06 1s7x s ILE 7 CO 0.02 0.44 -0.10 -1.10 0.00 0.00 0.00 174.94 174.19 1s7x s GLN 8 N -0.35 0.82 -0.11 2.79 -0.21 -0.80 -5.00 119.66 116.81 1s7x s GLN 8 Ca 0.05 -0.35 0.03 0.00 0.02 0.00 0.00 55.36 55.10 1s7x s GLN 8 Cb -0.08 -0.79 0.01 0.00 1.00 0.00 0.00 33.01 33.15 1s7x s GLN 8 CO -0.00 0.21 -0.19 0.08 -2.12 0.00 0.00 175.29 173.27 1s7x s VAL 9 N -0.21 1.71 0.02 1.09 1.01 -1.26 -0.95 120.40 121.80 1s7x s VAL 9 Ca 0.03 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 60.95 1s7x s VAL 9 Cb -0.04 -1.53 0.10 0.00 0.00 0.00 0.00 36.38 34.91 1s7x s VAL 9 CO -0.00 0.48 0.84 -0.72 0.00 0.00 0.00 175.10 175.70 1s7x s TYR 10 N 0.74 -0.39 0.17 5.22 1.13 -0.96 -4.57 117.35 118.68 1s7x s TYR 10 Ca -0.11 0.27 -0.11 0.00 -1.41 0.00 0.00 57.07 55.71 1s7x s TYR 10 Cb -0.16 0.53 -0.07 0.00 -1.10 0.00 0.00 41.96 41.17 1s7x s TYR 10 CO 0.02 -0.59 0.52 -1.54 -2.51 0.00 0.00 175.55 171.45 1s7x s SER 11 N -2.43 6.69 0.14 -0.18 1.04 -1.26 -0.27 113.70 117.43 1s7x s SER 11 Ca 0.04 0.94 -0.18 0.00 0.48 0.00 0.00 55.95 57.22 1s7x s SER 11 Cb -0.01 -2.23 0.01 0.00 0.10 0.00 0.00 66.02 63.88 1s7x s SER 11 CO -0.09 0.03 1.75 -0.09 0.98 0.00 0.00 173.24 175.83 1s7x h ARG 12 N 3.10 0.21 -6.19 4.02 2.43 -1.48 -3.45 114.38 113.01 1s7x h ARG 12 Ca -0.48 -0.01 -0.54 0.00 -0.81 0.00 0.00 59.98 58.14 1s7x h ARG 12 Cb 1.18 -0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.61 1s7x h ARG 12 CO 0.68 0.14 -0.59 -1.01 -1.51 0.00 0.00 179.97 177.68 1s7x s HIS 13 N -6.17 2.86 -0.05 2.20 3.76 -1.26 -5.05 115.29 111.58 1s7x s HIS 13 Ca -0.13 -0.19 -0.36 0.00 -0.15 0.00 0.00 55.06 54.23 1s7x s HIS 13 Cb 0.11 -1.30 -0.14 0.00 1.11 0.00 0.00 32.58 32.35 1s7x s HIS 13 CO 0.70 0.56 1.68 -2.30 -0.85 0.00 0.00 174.74 174.53 1s7x n PRO 14 N -1.02 1.72 -2.52 8.40 -0.02 -1.26 -4.88 135.00 135.43 1s7x n PRO 14 Ca -0.07 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 1s7x n PRO 14 Cb 0.59 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 1s7x n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1s7x s PRO 15 N 2.55 4.50 -0.08 0.52 0.04 -1.26 -5.03 135.00 136.24 1s7x s PRO 15 Ca 0.89 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1s7x s PRO 15 Cb -0.83 -3.36 0.02 0.00 0.04 0.00 0.00 34.50 30.37 1s7x s PRO 15 CO 0.51 -0.13 -0.07 -1.21 0.04 0.00 0.00 177.00 176.14 1s7x s GLU 16 N 0.75 1.29 0.17 4.56 2.02 -1.26 -5.12 118.70 121.11 1s7x s GLU 16 Ca 0.55 -0.20 -0.33 0.00 0.02 0.00 0.00 54.97 55.00 1s7x s GLU 16 Cb -0.27 -1.31 -0.14 0.00 0.10 0.00 0.00 34.13 32.51 1s7x s GLU 16 CO 0.30 -0.17 1.47 0.09 0.02 0.00 0.00 175.26 176.97 1s7x n ASN 17 N 4.56 2.70 0.00 -0.19 3.02 -1.26 -1.70 115.26 122.39 1s7x n ASN 17 Ca -0.16 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.50 1s7x n ASN 17 Cb 0.51 -1.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 1s7x n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s7x n GLY 18 N 2.86 1.67 3.48 7.41 0.00 -0.50 -5.01 105.19 115.10 1s7x n GLY 18 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1s7x n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s7x s LYS 19 N -0.38 3.72 0.51 1.61 2.20 -0.69 -5.00 119.74 121.71 1s7x s LYS 19 Ca 0.00 -0.44 -0.21 0.00 -0.36 0.00 0.00 55.97 54.96 1s7x s LYS 19 Cb 0.00 -3.37 -0.09 0.00 -1.51 0.00 0.00 37.83 32.86 1s7x s LYS 19 CO 0.00 -0.16 0.82 -2.30 -0.36 0.00 0.00 175.35 173.35 1s7x n PRO 20 N 4.87 0.93 -2.83 4.03 -0.02 -1.26 -4.30 135.00 136.42 1s7x n PRO 20 Ca -0.16 0.34 -0.07 0.00 -2.02 0.00 0.00 63.50 61.60 1s7x n PRO 20 Cb 0.52 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1s7x n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1s7x n ASN 21 N 0.25 -1.13 -4.16 2.55 2.85 0.29 -4.98 115.26 110.92 1s7x n ASN 21 Ca 0.11 -2.05 -0.28 0.00 -0.11 0.00 0.00 54.58 52.25 1s7x n ASN 21 Cb 0.43 1.97 -0.16 0.00 1.24 0.00 0.00 39.78 43.26 1s7x n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1s7x s ILE 22 N -2.55 1.64 -0.19 -1.44 -1.09 -1.26 -2.33 121.20 113.97 1s7x s ILE 22 Ca 0.13 -0.81 -0.08 0.00 -2.23 0.00 0.00 60.65 57.67 1s7x s ILE 22 Cb -0.02 -1.42 -0.04 0.00 -1.58 0.00 0.00 42.46 39.40 1s7x s ILE 22 CO 0.10 0.47 0.08 -0.22 -1.23 0.00 0.00 174.94 174.13 1s7x s LEU 23 N 0.21 3.86 0.05 2.97 2.96 -0.14 -1.09 118.68 127.51 1s7x s LEU 23 Ca -0.10 0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 1s7x s LEU 23 Cb -0.14 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1s7x s LEU 23 CO 0.04 0.15 0.06 0.20 -1.32 0.00 0.00 176.35 175.48 1s7x s ASN 24 N 0.52 5.44 -0.24 3.68 0.01 0.63 -1.49 114.94 123.49 1s7x s ASN 24 Ca 0.04 0.00 -0.01 0.00 -0.71 0.00 0.00 52.86 52.18 1s7x s ASN 24 Cb -0.12 -1.46 0.07 0.00 0.41 0.00 0.00 41.25 40.15 1s7x s ASN 24 CO 0.01 0.21 0.02 0.00 -1.51 0.00 0.00 177.10 175.82 1s7x s TYR 26 N 1.63 3.22 -0.22 0.00 5.04 -0.13 -1.39 117.35 125.50 1s7x s TYR 26 Ca 0.00 -0.23 -0.01 0.00 -2.44 0.00 0.00 57.07 54.39 1s7x s TYR 26 Cb -0.18 -2.43 0.02 0.00 0.35 0.00 0.00 41.96 39.71 1s7x s TYR 26 CO -0.11 -0.35 -0.10 0.08 -1.34 0.00 0.00 175.55 173.73 1s7x s VAL 27 N 1.71 2.76 0.36 3.14 1.01 -0.13 -1.90 120.40 127.35 1s7x s VAL 27 Ca 0.06 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.21 1s7x s VAL 27 Cb -0.17 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1s7x s VAL 27 CO 0.10 0.36 0.06 0.42 0.00 0.00 0.00 175.10 176.03 1s7x s THR 28 N 1.35 1.17 -1.35 3.92 -4.23 -0.53 -0.18 115.64 115.80 1s7x s THR 28 Ca 0.03 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.52 1s7x s THR 28 Cb -0.15 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.00 1s7x s THR 28 CO -0.07 0.00 0.20 0.00 -0.54 0.00 0.00 174.62 174.21 1s7x n GLN 29 N -0.81 -2.39 -4.23 3.99 3.00 -0.59 -1.49 117.38 114.87 1s7x n GLN 29 Ca -0.05 0.77 -0.24 0.00 -0.01 0.00 0.00 57.00 57.48 1s7x n GLN 29 Cb 0.66 -5.22 -0.08 0.00 0.00 0.00 0.00 30.24 25.61 1s7x n GLN 29 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 1s7x s PHE 30 N -2.92 2.62 -0.29 1.08 -0.71 -1.10 -4.25 117.98 112.42 1s7x s PHE 30 Ca 0.10 -0.43 -0.19 0.00 -1.04 0.00 0.00 56.93 55.36 1s7x s PHE 30 Cb -0.04 -1.60 0.16 0.00 -1.21 0.00 0.00 43.02 40.32 1s7x s PHE 30 CO 0.12 0.39 1.09 -1.58 -1.34 0.00 0.00 175.22 173.91 1s7x s HIS 31 N -2.49 -0.40 0.85 3.49 2.46 -1.04 -1.11 115.29 117.05 1s7x s HIS 31 Ca 0.37 0.86 -0.12 0.00 0.47 0.00 0.00 55.06 56.63 1s7x s HIS 31 Cb -0.01 0.32 0.10 0.00 -0.13 0.00 0.00 32.58 32.86 1s7x s HIS 31 CO 0.21 -0.20 1.13 -1.25 -2.47 0.00 0.00 174.74 172.16 1s7x s PRO 32 N 0.86 1.62 0.58 2.88 0.04 -1.26 -1.34 135.00 138.38 1s7x s PRO 32 Ca -0.04 0.40 0.38 0.00 0.04 0.00 0.00 61.00 61.78 1s7x s PRO 32 Cb -0.04 -1.89 1.83 0.00 0.04 0.00 0.00 34.50 34.45 1s7x s PRO 32 CO -0.12 -1.89 2.14 -1.00 0.04 0.00 0.00 177.00 176.17 1s7x h PRO 33 N -1.28 0.00 -6.48 0.56 0.13 -2.00 -3.43 132.00 119.51 1s7x h PRO 33 Ca -0.49 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.11 1s7x h PRO 33 Cb 1.31 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.46 1s7x h PRO 33 CO 0.62 0.00 0.97 -1.58 -0.23 0.00 0.00 178.00 177.77 1s7x s HIS 34 N -3.87 2.57 0.00 1.56 5.65 -1.26 -4.99 115.29 114.95 1s7x s HIS 34 Ca -0.02 0.40 -0.21 0.00 0.25 0.00 0.00 55.06 55.48 1s7x s HIS 34 Cb 0.11 -3.94 0.04 0.00 -1.18 0.00 0.00 32.58 27.61 1s7x s HIS 34 CO 0.46 -3.71 0.47 -1.50 -0.65 0.00 0.00 174.74 169.81 1s7x s ILE 35 N 2.34 0.04 -0.17 0.89 2.07 -1.26 -4.69 121.20 120.41 1s7x s ILE 35 Ca 0.73 -0.30 0.00 0.00 -1.41 0.00 0.00 60.65 59.67 1s7x s ILE 35 Cb -0.40 -0.86 0.00 0.00 0.13 0.00 0.00 42.46 41.33 1s7x s ILE 35 CO 0.32 -0.17 -0.16 -1.61 -1.91 0.00 0.00 174.94 171.41 1s7x s GLU 36 N -1.77 3.15 -0.10 3.50 2.02 -0.10 -5.01 118.70 120.38 1s7x s GLU 36 Ca -0.09 -0.77 0.02 0.00 0.02 0.00 0.00 54.97 54.15 1s7x s GLU 36 Cb -0.02 -2.63 0.01 0.00 0.10 0.00 0.00 34.13 31.59 1s7x s GLU 36 CO 0.03 -0.08 -0.15 0.42 0.02 0.00 0.00 175.26 175.50 1s7x s ILE 37 N 1.03 1.47 -0.02 -1.63 1.01 -1.26 -0.12 121.20 121.68 1s7x s ILE 37 Ca -0.01 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 60.06 1s7x s ILE 37 Cb -0.15 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 40.97 1s7x s ILE 37 CO -0.04 0.43 -0.19 -1.10 0.00 0.00 0.00 174.94 174.05 1s7x s GLN 38 N 0.92 1.63 -0.02 2.79 -0.21 -0.44 -5.01 119.66 119.33 1s7x s GLN 38 Ca -0.08 -0.67 -0.05 0.00 0.02 0.00 0.00 55.36 54.58 1s7x s GLN 38 Cb -0.15 -1.53 -0.04 0.00 1.00 0.00 0.00 33.01 32.29 1s7x s GLN 38 CO -0.00 0.37 0.21 -1.64 -2.12 0.00 0.00 175.29 172.11 1s7x s MET 39 N -0.33 3.50 -0.01 2.91 -1.94 -1.26 -0.23 119.30 121.93 1s7x s MET 39 Ca 0.05 -0.19 0.05 0.00 -1.71 0.00 0.00 55.69 53.89 1s7x s MET 39 Cb -0.08 -3.10 -0.01 0.00 2.01 0.00 0.00 34.83 33.64 1s7x s MET 39 CO 0.00 0.68 -0.16 -0.51 -0.01 0.00 0.00 175.02 175.01 1s7x s LEU 40 N -1.73 2.04 -0.19 -0.03 1.43 0.74 -0.70 118.68 120.25 1s7x s LEU 40 Ca 0.26 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1s7x s LEU 40 Cb -0.13 -0.84 0.02 0.00 0.03 0.00 0.00 46.19 45.27 1s7x s LEU 40 CO 0.15 0.19 -0.19 -0.75 0.23 0.00 0.00 176.35 175.99 1s7x s LYS 41 N -0.45 3.00 -1.55 1.70 2.20 -0.02 -1.26 119.74 123.36 1s7x s LYS 41 Ca 0.06 -0.83 -0.14 0.00 -0.36 0.00 0.00 55.97 54.70 1s7x s LYS 41 Cb -0.06 -2.61 0.09 0.00 -1.51 0.00 0.00 37.83 33.74 1s7x s LYS 41 CO -0.00 -0.22 0.97 0.09 -0.36 0.00 0.00 175.35 175.83 1s7x n ASN 42 N 4.63 -4.75 0.00 1.43 3.02 -0.38 -1.51 115.26 117.69 1s7x n ASN 42 Ca -0.21 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1s7x n ASN 42 Cb 0.50 -3.79 0.00 0.00 -0.61 0.00 0.00 39.78 35.87 1s7x n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s7x n GLY 43 N -1.67 2.29 3.79 7.41 0.00 -1.26 -5.02 105.19 110.73 1s7x n GLY 43 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1s7x n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s7x s LYS 44 N -0.24 3.48 0.05 1.61 2.20 -0.57 -5.00 119.74 121.27 1s7x s LYS 44 Ca 0.00 -0.23 -0.36 0.00 -0.36 0.00 0.00 55.97 55.02 1s7x s LYS 44 Cb 0.00 -3.13 -0.15 0.00 -1.51 0.00 0.00 37.83 33.04 1s7x s LYS 44 CO 0.00 0.65 1.50 1.17 -0.36 0.00 0.00 175.35 178.31 1s7x n LYS 45 N 2.38 1.51 -2.68 4.03 4.81 -1.26 -0.84 118.16 126.11 1s7x n LYS 45 Ca -0.19 0.55 -0.43 0.00 -0.87 0.00 0.00 58.31 57.37 1s7x n LYS 45 Cb 0.54 -2.25 -0.02 0.00 0.02 0.00 0.00 35.03 33.32 1s7x n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1s7x s ILE 46 N 1.27 4.65 0.36 3.15 1.01 0.12 -4.83 121.20 126.94 1s7x s ILE 46 Ca 0.85 1.90 0.26 0.00 0.00 0.00 0.00 60.65 63.66 1s7x s ILE 46 Cb -0.87 -4.32 0.27 0.00 0.01 0.00 0.00 42.46 37.55 1s7x s ILE 46 CO 0.47 -0.25 2.02 1.55 0.00 0.00 0.00 174.94 178.73 1s7x h PRO 47 N 7.65 0.00 -2.26 2.79 0.13 -1.92 -3.37 132.00 135.01 1s7x h PRO 47 Ca -0.20 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.35 1s7x h PRO 47 Cb 1.06 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.77 1s7x h PRO 47 CO 0.98 0.15 -0.67 1.63 -0.23 0.00 0.00 178.00 179.86 1s7x n LYS 48 N -3.63 3.04 -2.95 0.86 5.02 -1.26 -5.07 118.16 114.17 1s7x n LYS 48 Ca -0.01 -4.75 -0.41 0.00 -2.02 0.00 0.00 58.31 51.12 1s7x n LYS 48 Cb 0.28 -2.20 -0.04 0.00 -0.02 0.00 0.00 35.03 33.04 1s7x n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1s7x s VAL 49 N -4.17 4.97 0.22 -0.18 1.01 -1.26 -4.90 120.40 116.09 1s7x s VAL 49 Ca 0.48 1.59 -0.30 0.00 0.00 0.00 0.00 61.98 63.75 1s7x s VAL 49 Cb 0.27 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 1s7x s VAL 49 CO -0.13 0.17 1.07 -1.61 0.00 0.00 0.00 175.10 174.60 1s7x s GLU 50 N 1.25 4.66 -0.14 2.72 0.41 -0.40 -4.92 118.70 122.28 1s7x s GLU 50 Ca 0.40 1.70 0.00 0.00 -0.41 0.00 0.00 54.97 56.66 1s7x s GLU 50 Cb -0.18 -3.25 0.02 0.00 -1.78 0.00 0.00 34.13 28.94 1s7x s GLU 50 CO 0.18 0.21 -0.14 1.41 -0.49 0.00 0.00 175.26 176.43 1s7x s MET 51 N -0.88 2.28 0.96 1.61 1.75 -1.26 -1.56 119.30 122.19 1s7x s MET 51 Ca 0.46 -0.55 -0.12 0.00 -1.25 0.00 0.00 55.69 54.23 1s7x s MET 51 Cb -0.29 -2.08 0.17 0.00 2.84 0.00 0.00 34.83 35.46 1s7x s MET 51 CO 0.36 -0.23 1.09 -1.54 -0.65 0.00 0.00 175.02 174.06 1s7x s SER 52 N 1.46 2.85 0.78 1.11 1.04 -0.51 -5.01 113.70 115.43 1s7x s SER 52 Ca 0.04 1.54 -0.11 0.00 0.48 0.00 0.00 55.95 57.90 1s7x s SER 52 Cb -0.13 -2.20 0.06 0.00 0.10 0.00 0.00 66.02 63.85 1s7x s SER 52 CO -0.10 -3.04 1.09 -1.81 0.98 0.00 0.00 173.24 170.36 1s7x s ASP 53 N -3.17 4.65 0.05 7.02 1.01 -1.26 -4.79 116.67 120.18 1s7x s ASP 53 Ca 0.65 1.37 -0.31 0.00 0.71 0.00 0.00 52.55 54.97 1s7x s ASP 53 Cb -0.20 -2.13 -0.05 0.00 1.01 0.00 0.00 42.92 41.55 1s7x s ASP 53 CO 0.59 -1.88 1.19 0.00 0.21 0.00 0.00 175.17 175.28 1s7x s MET 54 N -5.13 4.43 0.22 8.23 0.23 -1.26 -4.82 119.30 121.20 1s7x s MET 54 Ca 0.60 1.75 0.01 0.00 -1.03 0.00 0.00 55.69 57.02 1s7x s MET 54 Cb -0.14 -3.37 -0.05 0.00 -1.53 0.00 0.00 34.83 29.74 1s7x s MET 54 CO 0.54 -0.26 0.06 -1.12 -2.03 0.00 0.00 175.02 172.22 1s7x s SER 55 N 1.09 1.12 0.05 -1.18 0.01 -1.21 -5.05 113.70 108.53 1s7x s SER 55 Ca 0.58 -1.31 0.01 0.00 1.31 0.00 0.00 55.95 56.55 1s7x s SER 55 Cb -0.29 0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.08 1s7x s SER 55 CO 0.29 -0.68 -0.06 0.72 0.41 0.00 0.00 173.24 173.92 1s7x s PHE 56 N -3.75 0.60 0.67 2.43 -0.12 -1.26 -1.81 117.98 114.73 1s7x s PHE 56 Ca 0.33 -0.69 -0.04 0.00 -0.05 0.00 0.00 56.93 56.48 1s7x s PHE 56 Cb 0.07 -0.37 0.06 0.00 -0.63 0.00 0.00 43.02 42.15 1s7x s PHE 56 CO 0.10 -0.17 0.95 -1.12 -0.05 0.00 0.00 175.22 174.93 1s7x s SER 57 N -2.08 4.90 0.13 1.98 0.01 0.19 -4.93 113.70 113.89 1s7x s SER 57 Ca -0.04 0.29 0.14 0.00 1.31 0.00 0.00 55.95 57.65 1s7x s SER 57 Cb -0.04 -0.98 0.65 0.00 0.21 0.00 0.00 66.02 65.86 1s7x s SER 57 CO -0.03 -1.50 1.44 2.29 0.41 0.00 0.00 173.24 175.85 1s7x n LYS 58 N -2.77 0.07 -0.21 12.44 2.85 -1.26 -0.55 118.16 128.73 1s7x n LYS 58 Ca 0.08 0.44 0.07 0.00 -1.05 0.00 0.00 58.31 57.86 1s7x n LYS 58 Cb 0.60 -1.68 0.21 0.00 -0.65 0.00 0.00 35.03 33.51 1s7x n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1s7x n ASP 59 N -1.83 2.31 0.00 -5.58 5.68 -1.26 -4.93 116.55 110.94 1s7x n ASP 59 Ca 0.01 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.33 1s7x n ASP 59 Cb 0.11 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 1s7x n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1s7x n TRP 60 N 0.76 0.00 -2.75 2.11 7.02 0.28 -5.02 117.44 119.84 1s7x n TRP 60 Ca 0.15 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.30 1s7x n TRP 60 Cb 0.37 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.20 1s7x n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1s7x s SER 61 N -3.61 6.84 0.37 -0.99 1.04 -1.26 -4.67 113.70 111.42 1s7x s SER 61 Ca 0.00 1.61 -0.03 0.00 0.48 0.00 0.00 55.95 58.01 1s7x s SER 61 Cb 0.00 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 1s7x s SER 61 CO 0.00 -0.40 0.63 -0.36 0.98 0.00 0.00 173.24 174.09 1s7x s PHE 62 N -2.27 3.51 0.05 5.02 0.08 -0.27 -0.64 117.98 123.46 1s7x s PHE 62 Ca 0.60 0.58 -0.15 0.00 0.12 0.00 0.00 56.93 58.08 1s7x s PHE 62 Cb -0.09 -2.08 0.03 0.00 -0.57 0.00 0.00 43.02 40.30 1s7x s PHE 62 CO 0.18 0.01 0.34 1.52 -0.10 0.00 0.00 175.22 177.18 1s7x s TYR 63 N -2.38 -0.16 -0.09 0.36 1.13 -0.75 -1.54 117.35 113.93 1s7x s TYR 63 Ca 0.43 0.03 -0.08 0.00 -1.41 0.00 0.00 57.07 56.04 1s7x s TYR 63 Cb -0.10 0.14 0.02 0.00 -1.10 0.00 0.00 41.96 40.92 1s7x s TYR 63 CO 0.37 -0.54 0.23 0.42 -2.51 0.00 0.00 175.55 173.52 1s7x s ILE 64 N -2.65 0.00 -0.24 -3.49 -1.09 0.75 -3.30 121.20 111.19 1s7x s ILE 64 Ca -0.04 -0.02 -0.07 0.00 -2.23 0.00 0.00 60.65 58.28 1s7x s ILE 64 Cb -0.00 -0.34 -0.03 0.00 -1.58 0.00 0.00 42.46 40.51 1s7x s ILE 64 CO -0.04 -0.01 0.07 -0.22 -1.23 0.00 0.00 174.94 173.52 1s7x s LEU 65 N 0.08 3.52 -0.01 2.97 2.96 -1.26 -0.95 118.68 125.98 1s7x s LEU 65 Ca -0.00 -0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.74 1s7x s LEU 65 Cb -0.02 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 1s7x s LEU 65 CO 0.00 -0.00 0.10 0.00 -1.32 0.00 0.00 176.35 175.13 1s7x s ALA 66 N 1.42 3.66 0.14 5.97 0.00 -0.48 -1.42 121.76 131.05 1s7x s ALA 66 Ca 0.05 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 51.07 1s7x s ALA 66 Cb -0.15 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1s7x s ALA 66 CO 0.04 0.69 0.29 -3.38 0.00 0.00 0.00 175.76 173.40 1s7x s HIS 67 N -1.20 0.19 0.04 0.00 -3.43 -0.60 -0.78 115.29 109.52 1s7x s HIS 67 Ca 0.23 -0.57 -0.19 0.00 -0.80 0.00 0.00 55.06 53.73 1s7x s HIS 67 Cb -0.12 0.03 0.04 0.00 -1.43 0.00 0.00 32.58 31.09 1s7x s HIS 67 CO 0.14 -0.68 0.43 -0.08 -2.00 0.00 0.00 174.74 172.55 1s7x s THR 68 N -3.90 0.05 0.41 -5.38 -1.32 -0.55 -1.27 115.64 103.67 1s7x s THR 68 Ca 0.11 -0.42 -0.25 0.00 -1.21 0.00 0.00 61.69 59.92 1s7x s THR 68 Cb 0.03 -0.95 -0.08 0.00 -1.51 0.00 0.00 72.50 69.99 1s7x s THR 68 CO -0.05 -0.23 1.16 -1.61 -2.21 0.00 0.00 174.62 171.67 1s7x s GLU 69 N -2.45 4.03 0.11 7.08 2.02 -1.26 -0.96 118.70 127.27 1s7x s GLU 69 Ca -0.05 1.80 -0.25 0.00 0.02 0.00 0.00 54.97 56.49 1s7x s GLU 69 Cb -0.01 -2.63 0.08 0.00 0.10 0.00 0.00 34.13 31.66 1s7x s GLU 69 CO -0.02 -0.33 0.73 -0.59 0.02 0.00 0.00 175.26 175.07 1s7x s PHE 70 N -1.45 -0.42 -0.29 1.61 -0.71 -0.98 -4.84 117.98 110.89 1s7x s PHE 70 Ca 0.58 0.21 0.02 0.00 -1.04 0.00 0.00 56.93 56.70 1s7x s PHE 70 Cb -0.30 0.57 0.08 0.00 -1.21 0.00 0.00 43.02 42.16 1s7x s PHE 70 CO 0.37 -0.78 -0.00 0.99 -1.34 0.00 0.00 175.22 174.46 1s7x s THR 71 N -3.53 1.82 0.35 -4.49 2.01 -1.26 -0.55 115.64 109.99 1s7x s THR 71 Ca 0.04 -1.75 -0.29 0.00 0.31 0.00 0.00 61.69 60.00 1s7x s THR 71 Cb -0.01 -2.20 -0.11 0.00 0.01 0.00 0.00 72.50 70.19 1s7x s THR 71 CO -0.09 -0.37 1.54 -2.16 -0.69 0.00 0.00 174.62 172.85 1s7x s PRO 72 N 1.19 4.10 0.43 4.92 0.04 -1.26 -4.80 135.00 139.61 1s7x s PRO 72 Ca 0.02 2.60 0.04 0.00 0.04 0.00 0.00 61.00 63.70 1s7x s PRO 72 Cb -0.19 -2.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 1s7x s PRO 72 CO -0.10 -0.59 0.05 0.95 0.04 0.00 0.00 177.00 177.35 1s7x s THR 73 N -0.71 1.20 0.07 1.26 -4.23 -1.26 -1.41 115.64 110.56 1s7x s THR 73 Ca 0.57 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.34 1s7x s THR 73 Cb -0.47 -2.50 0.28 0.00 1.34 0.00 0.00 72.50 71.14 1s7x s THR 73 CO 0.58 0.00 1.84 -0.08 -0.54 0.00 0.00 174.62 176.42 1s7x h GLU 74 N 1.69 0.00 0.00 3.99 4.81 -1.98 -3.38 114.58 119.72 1s7x h GLU 74 Ca -0.41 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.60 1s7x h GLU 74 Cb 1.28 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.62 1s7x h GLU 74 CO 0.70 0.16 -1.80 2.41 -0.73 0.00 0.00 179.01 179.75 1s7x n THR 75 N -3.28 0.80 -2.30 0.32 -1.04 -1.26 -5.00 114.28 102.52 1s7x n THR 75 Ca 0.01 -0.28 -0.37 0.00 -2.04 0.00 0.00 64.05 61.37 1s7x n THR 75 Cb 0.42 -1.19 -0.01 0.00 -1.82 0.00 0.00 70.33 67.72 1s7x n THR 75 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1s7x s ASP 76 N -5.63 6.30 -0.05 8.00 1.01 -1.26 -5.04 116.67 120.00 1s7x s ASP 76 Ca -0.19 2.28 0.05 0.00 0.71 0.00 0.00 52.55 55.40 1s7x s ASP 76 Cb 0.06 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 1s7x s ASP 76 CO 0.30 -0.83 -0.21 0.42 0.21 0.00 0.00 175.17 175.07 1s7x s THR 77 N -1.54 2.49 0.20 -1.27 -4.23 -1.26 -4.71 115.64 105.32 1s7x s THR 77 Ca 0.62 -0.93 0.08 0.00 -1.18 0.00 0.00 61.69 60.28 1s7x s THR 77 Cb -0.28 -1.93 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 1s7x s THR 77 CO 0.34 0.58 -0.03 -0.31 -0.54 0.00 0.00 174.62 174.66 1s7x s TYR 78 N -0.50 2.74 0.25 3.99 1.51 -1.26 -1.26 117.35 122.82 1s7x s TYR 78 Ca 0.07 -0.19 -0.19 0.00 -1.01 0.00 0.00 57.07 55.75 1s7x s TYR 78 Cb -0.11 -1.30 0.02 0.00 -0.11 0.00 0.00 41.96 40.46 1s7x s TYR 78 CO 0.01 0.55 0.63 0.00 -1.11 0.00 0.00 175.55 175.62 1s7x s ALA 79 N -1.90 -0.96 -0.04 3.71 0.00 -0.39 -0.83 121.76 121.35 1s7x s ALA 79 Ca 0.28 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.87 1s7x s ALA 79 Cb -0.08 0.91 0.01 0.00 0.00 0.00 0.00 23.12 23.95 1s7x s ALA 79 CO 0.18 -0.95 -0.10 0.00 0.00 0.00 0.00 175.76 174.89 1s7x s ARG 81 N 0.40 2.67 -0.14 0.00 3.52 0.68 -1.37 118.95 124.71 1s7x s ARG 81 Ca -0.08 -0.74 0.03 0.00 -0.13 0.00 0.00 55.73 54.81 1s7x s ARG 81 Cb -0.12 -2.13 0.01 0.00 -1.56 0.00 0.00 34.95 31.15 1s7x s ARG 81 CO 0.02 0.05 -0.22 0.08 -0.81 0.00 0.00 175.30 174.41 1s7x s VAL 82 N 0.68 2.09 -0.18 7.11 1.01 -0.19 -1.32 120.40 129.59 1s7x s VAL 82 Ca -0.12 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 60.86 1s7x s VAL 82 Cb -0.16 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1s7x s VAL 82 CO 0.03 0.55 -0.07 -0.54 0.00 0.00 0.00 175.10 175.07 1s7x s LYS 83 N 0.76 3.45 0.05 2.72 1.02 0.83 -1.48 119.74 127.09 1s7x s LYS 83 Ca -0.08 -0.62 -0.16 0.00 0.02 0.00 0.00 55.97 55.13 1s7x s LYS 83 Cb -0.16 -2.87 0.03 0.00 -0.52 0.00 0.00 37.83 34.31 1s7x s LYS 83 CO -0.01 0.03 0.38 -1.58 -0.92 0.00 0.00 175.35 173.25 1s7x s HIS 84 N 0.88 -0.21 0.13 3.18 2.46 -1.26 -0.93 115.29 119.54 1s7x s HIS 84 Ca -0.02 0.10 0.34 0.00 0.47 0.00 0.00 55.06 55.96 1s7x s HIS 84 Cb -0.15 0.18 1.51 0.00 -0.13 0.00 0.00 32.58 33.99 1s7x s HIS 84 CO 0.01 -0.57 2.01 -0.44 -2.47 0.00 0.00 174.74 173.29 1s7x h ASP 85 N 2.99 0.00 0.67 9.88 3.32 -1.93 -1.97 116.42 129.38 1s7x h ASP 85 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1s7x h ASP 85 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1s7x h ASP 85 CO 0.45 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.43 1s7x n SER 86 N -2.97 0.46 -4.18 6.45 3.41 -1.26 -4.68 113.62 110.85 1s7x n SER 86 Ca 0.00 0.61 -0.29 0.00 -0.26 0.00 0.00 58.87 58.93 1s7x n SER 86 Cb 0.25 -0.71 -0.17 0.00 -0.26 0.00 0.00 64.21 63.32 1s7x n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1s7x s MET 87 N -3.22 2.43 0.44 4.33 -1.94 -0.74 -4.90 119.30 115.70 1s7x s MET 87 Ca 0.05 -0.74 0.18 0.00 -1.71 0.00 0.00 55.69 53.47 1s7x s MET 87 Cb 0.09 -1.95 1.01 0.00 2.01 0.00 0.00 34.83 35.99 1s7x s MET 87 CO 0.36 0.21 1.94 0.00 -0.01 0.00 0.00 175.02 177.51 1s7x h ALA 88 N 6.52 1.41 -2.39 3.03 0.00 -1.83 -3.43 119.26 122.57 1s7x h ALA 88 Ca -0.27 -0.22 -0.33 0.00 0.00 0.00 0.00 54.91 54.09 1s7x h ALA 88 Cb 1.20 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.80 1s7x h ALA 88 CO 0.47 0.31 -0.72 -1.21 0.00 0.00 0.00 179.25 178.10 1s7x s GLU 89 N -4.27 1.01 0.67 0.00 0.41 -1.26 -5.12 118.70 110.15 1s7x s GLU 89 Ca -0.03 -1.37 -0.17 0.00 -0.41 0.00 0.00 54.97 52.99 1s7x s GLU 89 Cb 0.14 -0.63 0.01 0.00 -1.78 0.00 0.00 34.13 31.87 1s7x s GLU 89 CO 0.67 0.08 1.24 -2.14 -0.49 0.00 0.00 175.26 174.63 1s7x s PRO 90 N -3.46 2.45 -0.18 0.39 0.02 -1.26 -4.87 135.00 128.09 1s7x s PRO 90 Ca 0.14 1.90 -0.02 0.00 0.02 0.00 0.00 61.00 63.04 1s7x s PRO 90 Cb 0.01 -1.85 -0.01 0.00 0.02 0.00 0.00 34.50 32.67 1s7x s PRO 90 CO 0.01 -1.63 -0.09 0.21 -0.33 0.00 0.00 177.00 175.16 1s7x s LYS 91 N -3.58 3.33 -0.15 5.54 2.20 -0.55 -4.93 119.74 121.59 1s7x s LYS 91 Ca 0.78 -0.67 -0.07 0.00 -0.36 0.00 0.00 55.97 55.65 1s7x s LYS 91 Cb -0.33 -2.82 -0.04 0.00 -1.51 0.00 0.00 37.83 33.13 1s7x s LYS 91 CO 0.41 -0.05 0.08 0.99 -0.36 0.00 0.00 175.35 176.43 1s7x s THR 92 N 1.04 5.01 0.00 3.43 2.01 -1.26 -1.03 115.64 124.85 1s7x s THR 92 Ca -0.00 0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.10 1s7x s THR 92 Cb -0.15 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.12 1s7x s THR 92 CO -0.01 0.52 -0.19 0.68 -0.69 0.00 0.00 174.62 174.92 1s7x s VAL 93 N -0.18 1.53 0.03 3.82 -7.23 -0.47 -4.98 120.40 112.92 1s7x s VAL 93 Ca 0.08 -0.91 -0.09 0.00 -1.81 0.00 0.00 61.98 59.25 1s7x s VAL 93 Cb -0.12 -1.29 -0.05 0.00 0.56 0.00 0.00 36.38 35.48 1s7x s VAL 93 CO 0.01 0.36 0.35 -0.31 -0.31 0.00 0.00 175.10 175.20 1s7x s TYR 94 N -0.54 3.61 0.03 2.82 2.02 -1.26 -1.19 117.35 122.83 1s7x s TYR 94 Ca 0.07 0.74 -0.30 0.00 -0.37 0.00 0.00 57.07 57.21 1s7x s TYR 94 Cb -0.08 -2.12 -0.06 0.00 -0.40 0.00 0.00 41.96 39.30 1s7x s TYR 94 CO -0.00 0.58 1.42 -0.46 -1.57 0.00 0.00 175.55 175.51 1s7x s TRP 95 N -1.30 2.90 -0.20 2.71 -0.00 -0.01 -4.86 118.94 118.18 1s7x s TRP 95 Ca 0.29 0.81 0.00 0.00 -0.00 0.00 0.00 56.10 57.20 1s7x s TRP 95 Cb -0.14 -3.69 0.02 0.00 -0.00 0.00 0.00 33.47 29.66 1s7x s TRP 95 CO 0.16 -2.53 -0.16 0.34 -0.00 0.00 0.00 176.95 174.76 1s7x s ASP 96 N 1.77 3.53 0.52 5.86 -1.08 -1.26 -4.74 116.67 121.27 1s7x s ASP 96 Ca 0.65 -0.70 0.34 0.00 -0.52 0.00 0.00 52.55 52.32 1s7x s ASP 96 Cb -0.33 -1.54 1.62 0.00 -1.46 0.00 0.00 42.92 41.20 1s7x s ASP 96 CO 0.28 -0.03 2.03 0.08 0.52 0.00 0.00 175.17 178.05 1s7x h ARG 97 N 7.96 0.00 -0.12 4.34 0.11 -1.95 -2.01 114.38 122.71 1s7x h ARG 97 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 1s7x h ARG 97 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 1s7x h ARG 97 CO 0.61 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.43 1s7x n ASP 98 N -2.88 1.72 0.00 0.08 8.00 -1.26 -4.87 116.55 117.34 1s7x n ASP 98 Ca -0.00 -1.66 0.00 0.00 0.71 0.00 0.00 54.79 53.84 1s7x n ASP 98 Cb 0.20 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1s7x n ASP 98 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96