#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s9y s ILE 1 N 0.00 3.03 -0.13 1.12 -4.36 -1.26 -5.07 121.20 114.53 1s9y s ILE 1 Ca 0.00 0.34 -0.14 0.00 -0.26 0.00 0.00 60.65 60.59 1s9y s ILE 1 Cb 0.00 -2.82 0.04 0.00 1.25 0.00 0.00 42.46 40.93 1s9y s ILE 1 CO 0.00 -0.44 0.38 -1.10 0.24 0.00 0.00 174.94 174.02 1s9y s GLN 2 N -4.91 0.47 -0.08 0.37 -0.21 -1.26 -4.68 119.66 109.36 1s9y s GLN 2 Ca 0.62 0.46 -0.00 0.00 0.02 0.00 0.00 55.36 56.46 1s9y s GLN 2 Cb -0.18 0.23 0.02 0.00 1.00 0.00 0.00 33.01 34.09 1s9y s GLN 2 CO 0.56 -0.07 -0.05 1.03 -2.12 0.00 0.00 175.29 174.65 1s9y s ARG 3 N 0.05 1.09 0.26 2.91 3.00 -0.78 -4.94 118.95 120.54 1s9y s ARG 3 Ca -0.01 -0.11 -0.29 0.00 0.00 0.00 0.00 55.73 55.31 1s9y s ARG 3 Cb -0.03 -1.22 -0.10 0.00 0.00 0.00 0.00 34.95 33.60 1s9y s ARG 3 CO 0.01 -0.22 1.29 -0.08 0.00 0.00 0.00 175.30 176.30 1s9y s THR 4 N 1.58 3.01 0.42 0.02 -1.32 -1.26 -1.92 115.64 116.17 1s9y s THR 4 Ca 0.01 0.92 -0.24 0.00 -1.21 0.00 0.00 61.69 61.17 1s9y s THR 4 Cb -0.13 -3.59 -0.08 0.00 -1.51 0.00 0.00 72.50 67.19 1s9y s THR 4 CO -0.05 0.18 1.11 -2.16 -2.21 0.00 0.00 174.62 171.50 1s9y s PRO 5 N -0.95 4.01 0.56 7.08 0.04 -1.26 -4.42 135.00 140.07 1s9y s PRO 5 Ca 0.52 1.66 -0.04 0.00 0.04 0.00 0.00 61.00 63.19 1s9y s PRO 5 Cb -0.38 -2.53 0.01 0.00 0.04 0.00 0.00 34.50 31.65 1s9y s PRO 5 CO 0.45 -0.31 0.85 0.15 0.04 0.00 0.00 177.00 178.17 1s9y s LYS 6 N -2.51 2.87 -0.02 4.56 1.02 0.13 -4.87 119.74 120.91 1s9y s LYS 6 Ca 0.59 -0.20 -0.08 0.00 0.02 0.00 0.00 55.97 56.31 1s9y s LYS 6 Cb -0.26 -2.35 0.01 0.00 -0.52 0.00 0.00 37.83 34.71 1s9y s LYS 6 CO 0.32 -0.64 0.18 0.42 -0.92 0.00 0.00 175.35 174.71 1s9y s ILE 7 N -2.89 0.06 -0.16 2.17 1.01 -1.26 -2.57 121.20 117.56 1s9y s ILE 7 Ca 0.53 -0.46 -0.06 0.00 0.00 0.00 0.00 60.65 60.66 1s9y s ILE 7 Cb -0.10 -0.41 0.08 0.00 0.01 0.00 0.00 42.46 42.03 1s9y s ILE 7 CO 0.43 -0.25 0.34 -1.10 0.00 0.00 0.00 174.94 174.36 1s9y s GLN 8 N -0.94 0.24 -0.19 2.79 -0.21 -0.92 -5.00 119.66 115.44 1s9y s GLN 8 Ca -0.10 0.87 -0.06 0.00 0.02 0.00 0.00 55.36 56.09 1s9y s GLN 8 Cb -0.05 0.13 -0.03 0.00 1.00 0.00 0.00 33.01 34.05 1s9y s GLN 8 CO 0.02 -0.26 0.03 0.08 -2.12 0.00 0.00 175.29 173.03 1s9y s VAL 9 N 2.40 4.32 0.27 1.09 1.01 -1.26 -1.33 120.40 126.90 1s9y s VAL 9 Ca -0.01 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.57 1s9y s VAL 9 Cb -0.12 -2.94 0.04 0.00 0.00 0.00 0.00 36.38 33.35 1s9y s VAL 9 CO -0.11 0.44 0.79 -0.72 0.00 0.00 0.00 175.10 175.50 1s9y s TYR 10 N 0.68 -0.12 0.13 5.22 1.13 -0.33 -4.54 117.35 119.52 1s9y s TYR 10 Ca 0.01 -0.35 0.04 0.00 -1.41 0.00 0.00 57.07 55.36 1s9y s TYR 10 Cb -0.14 0.72 -0.04 0.00 -1.10 0.00 0.00 41.96 41.40 1s9y s TYR 10 CO 0.02 -1.22 0.10 -1.54 -2.51 0.00 0.00 175.55 170.41 1s9y s SER 11 N -2.97 5.49 0.10 -0.18 1.04 -1.26 0.13 113.70 116.06 1s9y s SER 11 Ca 0.12 -0.08 -0.20 0.00 0.48 0.00 0.00 55.95 56.27 1s9y s SER 11 Cb -0.05 -1.44 -0.08 0.00 0.10 0.00 0.00 66.02 64.55 1s9y s SER 11 CO 0.07 0.12 1.70 -0.09 0.98 0.00 0.00 173.24 176.01 1s9y h ARG 12 N 2.83 0.26 -6.20 4.02 2.43 -1.60 -3.44 114.38 112.68 1s9y h ARG 12 Ca -0.47 -0.03 -0.56 0.00 -0.81 0.00 0.00 59.98 58.11 1s9y h ARG 12 Cb 1.18 -0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 30.59 1s9y h ARG 12 CO 0.64 0.26 -0.64 -1.01 -1.51 0.00 0.00 179.97 177.71 1s9y s HIS 13 N -5.85 2.69 0.16 2.20 3.76 -1.26 -5.04 115.29 111.95 1s9y s HIS 13 Ca -0.13 -0.22 -0.32 0.00 -0.15 0.00 0.00 55.06 54.24 1s9y s HIS 13 Cb 0.08 -1.20 -0.11 0.00 1.11 0.00 0.00 32.58 32.46 1s9y s HIS 13 CO 0.70 0.62 1.79 -0.35 -0.85 0.00 0.00 174.74 176.64 1s9y n PRO 14 N -0.90 2.77 -1.61 8.40 -0.04 -1.26 -4.87 135.00 137.50 1s9y n PRO 14 Ca -0.06 1.00 -0.49 0.00 -0.04 0.00 0.00 63.50 63.91 1s9y n PRO 14 Cb 0.59 -2.88 -0.05 0.00 -0.04 0.00 0.00 33.50 31.13 1s9y n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s9y n ALA 15 N 4.91 -0.30 -3.38 0.55 0.00 -1.26 -5.00 120.51 116.04 1s9y n ALA 15 Ca 0.17 0.48 -0.13 0.00 0.00 0.00 0.00 53.44 53.96 1s9y n ALA 15 Cb 0.36 -2.13 -0.09 0.00 0.00 0.00 0.00 19.45 17.60 1s9y n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1s9y s GLU 16 N 0.15 0.33 -0.08 0.00 2.12 -1.26 -5.13 118.70 114.82 1s9y s GLU 16 Ca 0.78 0.22 -0.38 0.00 0.36 0.00 0.00 54.97 55.94 1s9y s GLU 16 Cb -0.84 -0.60 -0.16 0.00 0.26 0.00 0.00 34.13 32.79 1s9y s GLU 16 CO 0.48 -0.83 1.53 0.09 -0.54 0.00 0.00 175.26 175.98 1s9y n ASN 17 N 5.34 2.00 0.00 -1.70 3.02 -1.25 -2.08 115.26 120.59 1s9y n ASN 17 Ca -0.03 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.62 1s9y n ASN 17 Cb 0.49 -1.17 0.00 0.00 -0.61 0.00 0.00 39.78 38.49 1s9y n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s9y n GLY 18 N 3.31 2.10 3.73 7.41 0.00 -0.94 -5.02 105.19 115.77 1s9y n GLY 18 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 1s9y n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s9y s LYS 19 N -0.01 4.20 0.53 1.61 1.02 -0.88 -4.98 119.74 121.23 1s9y s LYS 19 Ca 0.00 -0.14 -0.22 0.00 0.02 0.00 0.00 55.97 55.63 1s9y s LYS 19 Cb 0.00 -3.43 -0.06 0.00 -0.52 0.00 0.00 37.83 33.83 1s9y s LYS 19 CO 0.00 0.27 1.38 -1.54 -0.92 0.00 0.00 175.35 174.53 1s9y s SER 20 N 0.43 5.39 0.00 2.83 1.04 -1.26 -4.33 113.70 117.80 1s9y s SER 20 Ca 0.10 2.81 0.00 0.00 0.48 0.00 0.00 55.95 59.34 1s9y s SER 20 Cb -0.12 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.36 1s9y s SER 20 CO -0.00 -1.49 0.00 -3.20 0.98 0.00 0.00 173.24 169.53 1s9y n ASN 21 N -0.85 0.00 -3.80 7.02 2.85 0.21 -4.96 115.26 115.73 1s9y n ASN 21 Ca 0.09 0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.37 1s9y n ASN 21 Cb 0.44 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.29 1s9y n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1s9y s PHE 22 N -0.43 0.46 -0.18 1.20 0.40 -1.26 -1.82 117.98 116.35 1s9y s PHE 22 Ca 0.00 -0.05 -0.21 0.00 -0.60 0.00 0.00 56.93 56.07 1s9y s PHE 22 Cb 0.00 -0.58 -0.03 0.00 0.51 0.00 0.00 43.02 42.93 1s9y s PHE 22 CO 0.00 -0.21 0.65 -1.17 0.70 0.00 0.00 175.22 175.19 1s9y s LEU 23 N 1.44 4.17 0.04 -0.37 2.96 0.49 -1.36 118.68 126.05 1s9y s LEU 23 Ca -0.04 0.90 0.07 0.00 -0.22 0.00 0.00 54.13 54.84 1s9y s LEU 23 Cb -0.13 -2.93 -0.03 0.00 0.50 0.00 0.00 46.19 43.60 1s9y s LEU 23 CO -0.03 -0.25 -0.17 0.20 -1.32 0.00 0.00 176.35 174.78 1s9y s ASN 24 N 1.12 3.90 -0.26 3.68 0.01 0.36 -2.01 114.94 121.74 1s9y s ASN 24 Ca 0.30 -0.39 -0.02 0.00 -0.71 0.00 0.00 52.86 52.04 1s9y s ASN 24 Cb -0.16 -0.67 0.08 0.00 0.41 0.00 0.00 41.25 40.92 1s9y s ASN 24 CO 0.11 0.26 0.07 0.00 -1.51 0.00 0.00 177.10 176.04 1s9y s TYR 26 N 1.77 3.23 -0.14 0.00 5.04 -0.45 -1.56 117.35 125.25 1s9y s TYR 26 Ca 0.05 0.30 -0.01 0.00 -2.44 0.00 0.00 57.07 54.97 1s9y s TYR 26 Cb -0.17 -2.61 -0.02 0.00 0.35 0.00 0.00 41.96 39.51 1s9y s TYR 26 CO -0.20 -0.29 -0.11 0.08 -1.34 0.00 0.00 175.55 173.69 1s9y s VAL 27 N 2.07 3.18 0.27 3.14 1.01 -0.69 -2.16 120.40 127.22 1s9y s VAL 27 Ca 0.14 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 1s9y s VAL 27 Cb -0.16 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 1s9y s VAL 27 CO 0.11 0.51 0.39 -0.94 0.00 0.00 0.00 175.10 175.17 1s9y s SER 28 N 0.42 0.38 -0.72 3.32 1.04 -1.06 -0.78 113.70 116.31 1s9y s SER 28 Ca -0.09 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.08 1s9y s SER 28 Cb -0.16 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1s9y s SER 28 CO 0.05 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.75 1s9y n GLY 29 N -0.43 0.76 3.97 7.32 0.00 -0.28 0.18 105.19 116.72 1s9y n GLY 29 Ca 0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 1s9y n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s9y s PHE 30 N -1.84 3.05 -0.29 1.61 -0.71 -1.21 -4.40 117.98 114.19 1s9y s PHE 30 Ca 0.00 -0.03 -0.19 0.00 -1.04 0.00 0.00 56.93 55.67 1s9y s PHE 30 Cb 0.00 -2.35 0.17 0.00 -1.21 0.00 0.00 43.02 39.64 1s9y s PHE 30 CO 0.00 -0.40 1.16 -1.58 -1.34 0.00 0.00 175.22 173.06 1s9y s HIS 31 N -2.48 -0.30 0.87 3.49 2.46 -0.81 -1.89 115.29 116.63 1s9y s HIS 31 Ca 0.50 0.63 -0.14 0.00 0.47 0.00 0.00 55.06 56.52 1s9y s HIS 31 Cb -0.10 0.27 0.22 0.00 -0.13 0.00 0.00 32.58 32.84 1s9y s HIS 31 CO 0.36 -0.15 0.66 -0.35 -2.47 0.00 0.00 174.74 172.79 1s9y n PRO 32 N 2.90 -2.99 0.17 2.88 -0.04 -1.26 -1.86 135.00 134.79 1s9y n PRO 32 Ca -0.16 -1.07 0.03 0.00 -0.04 0.00 0.00 63.50 62.27 1s9y n PRO 32 Cb 0.57 -1.14 0.26 0.00 -0.04 0.00 0.00 33.50 33.15 1s9y n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1s9y h SER 33 N -2.50 0.00 -1.76 3.54 4.64 -1.99 -3.45 113.55 112.04 1s9y h SER 33 Ca -0.26 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.42 1s9y h SER 33 Cb 0.84 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.93 1s9y h SER 33 CO 0.17 0.47 1.24 0.47 -0.87 0.00 0.00 176.83 178.31 1s9y n ASP 34 N -3.60 3.04 -3.69 4.97 8.00 -1.26 -4.94 116.55 119.07 1s9y n ASP 34 Ca -0.00 0.70 -0.14 0.00 0.71 0.00 0.00 54.79 56.06 1s9y n ASP 34 Cb 0.56 -1.36 -0.09 0.00 -0.02 0.00 0.00 41.12 40.21 1s9y n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1s9y s ILE 35 N 5.62 0.01 -0.21 0.53 2.07 -1.26 -4.57 121.20 123.39 1s9y s ILE 35 Ca 0.99 -0.07 -0.07 0.00 -1.41 0.00 0.00 60.65 60.08 1s9y s ILE 35 Cb -0.69 -0.73 -0.03 0.00 0.13 0.00 0.00 42.46 41.13 1s9y s ILE 35 CO 0.49 -0.04 0.06 -1.61 -1.91 0.00 0.00 174.94 171.93 1s9y s GLU 36 N -0.15 3.80 -0.05 3.50 2.02 -0.32 -4.99 118.70 122.50 1s9y s GLU 36 Ca -0.03 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.54 1s9y s GLU 36 Cb -0.03 -3.24 0.02 0.00 0.10 0.00 0.00 34.13 30.99 1s9y s GLU 36 CO 0.02 0.06 -0.03 0.08 0.02 0.00 0.00 175.26 175.42 1s9y s VAL 37 N 0.93 0.45 -0.01 2.63 1.01 -1.26 0.01 120.40 124.16 1s9y s VAL 37 Ca 0.03 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1s9y s VAL 37 Cb -0.14 -0.52 -0.00 0.00 0.00 0.00 0.00 36.38 35.71 1s9y s VAL 37 CO 0.03 0.23 -0.07 -1.81 0.00 0.00 0.00 175.10 173.47 1s9y s ASP 38 N 1.25 0.85 -0.11 3.32 1.01 -0.08 -5.00 116.67 117.90 1s9y s ASP 38 Ca -0.06 -0.13 -0.13 0.00 0.71 0.00 0.00 52.55 52.94 1s9y s ASP 38 Cb -0.14 -0.11 -0.05 0.00 1.01 0.00 0.00 42.92 43.64 1s9y s ASP 38 CO -0.02 0.08 0.31 -0.76 0.21 0.00 0.00 175.17 174.99 1s9y s LEU 39 N -0.13 4.32 -0.00 1.23 1.02 -1.26 -0.28 118.68 123.58 1s9y s LEU 39 Ca 0.02 0.63 0.06 0.00 0.02 0.00 0.00 54.13 54.87 1s9y s LEU 39 Cb -0.03 -2.40 -0.03 0.00 0.02 0.00 0.00 46.19 43.75 1s9y s LEU 39 CO -0.00 0.20 -0.19 -0.76 0.02 0.00 0.00 176.35 175.62 1s9y s LEU 40 N -0.13 2.52 -0.22 1.79 1.43 -0.10 -1.60 118.68 122.36 1s9y s LEU 40 Ca 0.19 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1s9y s LEU 40 Cb -0.14 -1.49 0.05 0.00 0.03 0.00 0.00 46.19 44.65 1s9y s LEU 40 CO 0.07 0.30 -0.07 -0.75 0.23 0.00 0.00 176.35 176.13 1s9y s LYS 41 N -1.00 1.75 -1.55 1.70 2.20 -0.35 -1.24 119.74 121.25 1s9y s LYS 41 Ca 0.12 -0.94 -0.04 0.00 -0.36 0.00 0.00 55.97 54.76 1s9y s LYS 41 Cb -0.10 -2.52 0.01 0.00 -1.51 0.00 0.00 37.83 33.71 1s9y s LYS 41 CO 0.02 -0.54 0.50 0.09 -0.36 0.00 0.00 175.35 175.06 1s9y n ASN 42 N 4.68 -5.81 0.00 1.43 3.02 0.15 -2.00 115.26 116.73 1s9y n ASN 42 Ca -0.13 -0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 1s9y n ASN 42 Cb 0.45 -4.73 0.00 0.00 -0.61 0.00 0.00 39.78 34.89 1s9y n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s9y n GLY 43 N -1.40 3.03 3.77 7.41 0.00 -1.26 -5.03 105.19 111.70 1s9y n GLY 43 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 1s9y n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s9y s GLU 44 N -0.28 4.13 0.33 1.61 2.02 -0.85 -4.97 118.70 120.70 1s9y s GLU 44 Ca 0.00 0.29 -0.28 0.00 0.02 0.00 0.00 54.97 54.99 1s9y s GLU 44 Cb 0.00 -3.35 -0.10 0.00 0.10 0.00 0.00 34.13 30.78 1s9y s GLU 44 CO 0.00 0.38 1.21 -0.98 0.02 0.00 0.00 175.26 175.90 1s9y s ARG 45 N -0.04 4.40 0.49 1.61 1.70 -1.26 -1.21 118.95 124.64 1s9y s ARG 45 Ca 0.21 2.01 -0.05 0.00 -0.47 0.00 0.00 55.73 57.44 1s9y s ARG 45 Cb -0.15 -3.04 -0.02 0.00 -0.57 0.00 0.00 34.95 31.17 1s9y s ARG 45 CO 0.09 -0.07 0.79 0.42 -1.08 0.00 0.00 175.30 175.44 1s9y s ILE 46 N -1.19 4.58 0.00 4.99 1.01 -0.63 -4.93 121.20 125.03 1s9y s ILE 46 Ca 0.49 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1s9y s ILE 46 Cb -0.36 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1s9y s ILE 46 CO 0.46 -0.71 0.00 1.21 0.00 0.00 0.00 174.94 175.90 1s9y n GLU 47 N -2.29 5.51 -0.36 2.79 4.07 -1.26 -4.63 120.64 124.47 1s9y n GLU 47 Ca 0.01 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.07 1s9y n GLU 47 Cb 0.56 -0.53 0.02 0.00 -0.06 0.00 0.00 31.44 31.43 1s9y n GLU 47 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1s9y n LYS 48 N -0.97 1.21 -3.45 5.31 3.00 -1.26 -4.86 118.16 117.14 1s9y n LYS 48 Ca 0.00 -0.46 -0.37 0.00 -0.00 0.00 0.00 58.31 57.47 1s9y n LYS 48 Cb 0.00 -1.18 -0.07 0.00 0.00 0.00 0.00 35.03 33.78 1s9y n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1s9y s VAL 49 N -0.58 5.24 0.37 3.15 1.01 -1.26 -4.68 120.40 123.66 1s9y s VAL 49 Ca 0.09 0.64 0.08 0.00 0.00 0.00 0.00 61.98 62.79 1s9y s VAL 49 Cb 0.07 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1s9y s VAL 49 CO 0.01 0.31 0.15 -1.61 0.00 0.00 0.00 175.10 173.96 1s9y s GLU 50 N 0.98 2.28 0.09 2.72 2.02 -0.78 -4.96 118.70 121.04 1s9y s GLU 50 Ca 0.18 -1.70 -0.09 0.00 0.02 0.00 0.00 54.97 53.38 1s9y s GLU 50 Cb -0.14 -2.07 -0.00 0.00 0.10 0.00 0.00 34.13 32.02 1s9y s GLU 50 CO 0.07 0.00 0.20 -3.38 0.02 0.00 0.00 175.26 172.16 1s9y s HIS 51 N -2.51 0.14 0.87 1.61 -3.43 -1.26 -0.75 115.29 109.96 1s9y s HIS 51 Ca 0.39 -0.56 -0.12 0.00 -0.80 0.00 0.00 55.06 53.98 1s9y s HIS 51 Cb 0.00 -0.05 0.15 0.00 -1.43 0.00 0.00 32.58 31.26 1s9y s HIS 51 CO 0.22 -0.55 1.21 -1.54 -2.00 0.00 0.00 174.74 172.09 1s9y s SER 52 N -2.84 3.75 0.02 7.38 1.04 -0.38 -4.96 113.70 117.72 1s9y s SER 52 Ca 0.05 0.31 -0.30 0.00 0.48 0.00 0.00 55.95 56.48 1s9y s SER 52 Cb 0.05 -0.55 -0.04 0.00 0.10 0.00 0.00 66.02 65.57 1s9y s SER 52 CO -0.11 -2.32 1.06 -1.81 0.98 0.00 0.00 173.24 171.04 1s9y s ASP 53 N -4.77 7.26 -0.32 7.02 1.01 -1.26 -4.72 116.67 120.89 1s9y s ASP 53 Ca 0.69 1.78 -0.42 0.00 0.71 0.00 0.00 52.55 55.31 1s9y s ASP 53 Cb -0.06 -2.57 -0.17 0.00 1.01 0.00 0.00 42.92 41.12 1s9y s ASP 53 CO 0.50 -0.34 1.65 -0.11 0.21 0.00 0.00 175.17 177.07 1s9y n LEU 54 N 3.96 1.85 -4.18 1.23 7.94 -1.26 -4.96 117.00 121.58 1s9y n LEU 54 Ca 0.07 1.12 -0.11 0.00 -1.11 0.00 0.00 56.01 55.98 1s9y n LEU 54 Cb 0.49 -1.05 -0.10 0.00 0.53 0.00 0.00 43.42 43.30 1s9y n LEU 54 CO 0.53 -0.66 -0.31 -0.55 -1.11 0.00 0.00 177.39 175.30 1s9y s SER 55 N 3.06 0.62 0.17 1.96 0.15 -1.23 -5.05 113.70 113.37 1s9y s SER 55 Ca 1.00 -1.20 0.02 0.00 0.70 0.00 0.00 55.95 56.47 1s9y s SER 55 Cb -1.22 0.23 -0.05 0.00 -1.71 0.00 0.00 66.02 63.28 1s9y s SER 55 CO 0.70 -0.68 -0.02 0.72 1.20 0.00 0.00 173.24 175.16 1s9y s PHE 56 N -3.92 1.22 0.82 3.44 -0.12 -1.26 -1.51 117.98 116.65 1s9y s PHE 56 Ca 0.24 -0.96 -0.05 0.00 -0.05 0.00 0.00 56.93 56.10 1s9y s PHE 56 Cb 0.07 -0.69 0.17 0.00 -0.63 0.00 0.00 43.02 41.93 1s9y s PHE 56 CO 0.02 -0.15 1.12 -1.12 -0.05 0.00 0.00 175.22 175.05 1s9y s SER 57 N -3.17 3.82 0.47 1.98 0.01 0.18 -4.92 113.70 112.07 1s9y s SER 57 Ca 0.22 -0.27 0.16 0.00 1.31 0.00 0.00 55.95 57.37 1s9y s SER 57 Cb 0.05 0.07 1.14 0.00 0.21 0.00 0.00 66.02 67.50 1s9y s SER 57 CO 0.03 -2.23 2.02 0.50 0.41 0.00 0.00 173.24 173.97 1s9y h LYS 58 N -0.93 0.25 -0.74 12.44 3.64 -2.02 0.50 116.57 129.70 1s9y h LYS 58 Ca -0.38 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1s9y h LYS 58 Cb 1.25 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1s9y h LYS 58 CO 0.36 0.16 0.00 -0.40 -2.27 0.00 0.00 179.45 177.31 1s9y n ASP 59 N -4.46 3.02 0.00 4.20 5.75 -1.26 -4.87 116.55 118.93 1s9y n ASP 59 Ca 0.07 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.48 1s9y n ASP 59 Cb 0.35 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 1s9y n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1s9y n TRP 60 N 0.32 0.00 -3.00 2.11 7.02 0.17 -4.98 117.44 119.08 1s9y n TRP 60 Ca 0.13 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.24 1s9y n TRP 60 Cb 0.64 -1.33 -0.06 0.00 -2.42 0.00 0.00 31.31 28.13 1s9y n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1s9y s SER 61 N -2.02 7.16 0.58 -0.99 1.04 -1.26 -4.73 113.70 113.49 1s9y s SER 61 Ca 0.00 1.55 -0.06 0.00 0.48 0.00 0.00 55.95 57.92 1s9y s SER 61 Cb 0.00 -2.47 -0.00 0.00 0.10 0.00 0.00 66.02 63.65 1s9y s SER 61 CO 0.00 0.02 0.90 -0.36 0.98 0.00 0.00 173.24 174.77 1s9y s PHE 62 N -1.52 3.35 -0.20 5.02 0.08 -0.79 0.51 117.98 124.43 1s9y s PHE 62 Ca 0.44 0.75 -0.19 0.00 0.12 0.00 0.00 56.93 58.05 1s9y s PHE 62 Cb -0.18 -2.66 0.05 0.00 -0.57 0.00 0.00 43.02 39.66 1s9y s PHE 62 CO 0.22 -0.72 0.54 1.52 -0.10 0.00 0.00 175.22 176.68 1s9y s TYR 63 N -2.97 -0.59 0.02 0.36 -0.85 -0.57 -1.13 117.35 111.62 1s9y s TYR 63 Ca 0.53 1.42 0.00 0.00 -0.52 0.00 0.00 57.07 58.50 1s9y s TYR 63 Cb -0.11 0.21 -0.02 0.00 0.38 0.00 0.00 41.96 42.42 1s9y s TYR 63 CO 0.46 -0.30 -0.03 -0.51 -1.52 0.00 0.00 175.55 173.66 1s9y s LEU 64 N 0.21 2.21 -0.27 -3.49 1.43 0.04 -3.56 118.68 115.26 1s9y s LEU 64 Ca -0.01 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1s9y s LEU 64 Cb -0.04 0.08 0.03 0.00 0.03 0.00 0.00 46.19 46.29 1s9y s LEU 64 CO 0.01 -0.26 -0.03 -0.22 0.23 0.00 0.00 176.35 176.08 1s9y s LEU 65 N -1.27 3.43 -0.20 1.79 2.96 -1.26 -1.71 118.68 122.42 1s9y s LEU 65 Ca -0.14 -0.93 -0.09 0.00 -0.22 0.00 0.00 54.13 52.75 1s9y s LEU 65 Cb -0.09 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.85 1s9y s LEU 65 CO -0.01 -0.16 0.11 -0.31 -1.32 0.00 0.00 176.35 174.66 1s9y s TYR 66 N 1.33 3.33 0.28 5.38 1.51 -0.60 -1.25 117.35 127.34 1s9y s TYR 66 Ca -0.01 0.21 0.03 0.00 -1.01 0.00 0.00 57.07 56.29 1s9y s TYR 66 Cb -0.17 -2.15 -0.04 0.00 -0.11 0.00 0.00 41.96 39.49 1s9y s TYR 66 CO -0.03 0.19 0.20 1.52 -1.11 0.00 0.00 175.55 176.32 1s9y s TYR 67 N 0.50 1.51 -0.30 2.71 1.13 0.07 -0.27 117.35 122.71 1s9y s TYR 67 Ca 0.06 -1.49 -0.21 0.00 -1.41 0.00 0.00 57.07 54.02 1s9y s TYR 67 Cb -0.12 -0.70 0.20 0.00 -1.10 0.00 0.00 41.96 40.24 1s9y s TYR 67 CO -0.00 -0.70 1.35 -0.08 -2.51 0.00 0.00 175.55 173.61 1s9y s THR 68 N -3.73 0.00 0.43 -3.49 -1.32 -0.85 -1.87 115.64 104.81 1s9y s THR 68 Ca 0.39 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.62 1s9y s THR 68 Cb 0.05 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.96 1s9y s THR 68 CO 0.20 0.00 1.28 -0.70 -2.21 0.00 0.00 174.62 173.19 1s9y s GLU 69 N 0.50 3.82 0.18 7.08 2.12 -1.26 -0.38 118.70 130.76 1s9y s GLU 69 Ca 0.00 2.09 -0.24 0.00 0.36 0.00 0.00 54.97 57.19 1s9y s GLU 69 Cb -0.04 -2.63 0.05 0.00 0.26 0.00 0.00 34.13 31.78 1s9y s GLU 69 CO -0.13 -0.59 0.81 -0.59 -0.54 0.00 0.00 175.26 174.22 1s9y s PHE 70 N -1.32 -0.23 -0.29 5.30 -0.71 -0.75 -4.83 117.98 115.14 1s9y s PHE 70 Ca 0.60 -0.10 0.02 0.00 -1.04 0.00 0.00 56.93 56.42 1s9y s PHE 70 Cb -0.37 0.64 0.08 0.00 -1.21 0.00 0.00 43.02 42.17 1s9y s PHE 70 CO 0.46 -0.95 -0.01 0.99 -1.34 0.00 0.00 175.22 174.37 1s9y s THR 71 N -3.56 1.89 0.16 -4.49 2.01 -1.26 0.64 115.64 111.03 1s9y s THR 71 Ca 0.09 -1.78 -0.31 0.00 0.31 0.00 0.00 61.69 60.00 1s9y s THR 71 Cb -0.03 -2.24 -0.10 0.00 0.01 0.00 0.00 72.50 70.14 1s9y s THR 71 CO 0.01 -0.35 1.53 -2.16 -0.69 0.00 0.00 174.62 172.96 1s9y s PRO 72 N 1.16 4.23 0.46 4.92 0.04 -1.26 -4.81 135.00 139.74 1s9y s PRO 72 Ca 0.02 2.32 0.02 0.00 0.04 0.00 0.00 61.00 63.40 1s9y s PRO 72 Cb -0.19 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.17 1s9y s PRO 72 CO -0.09 -0.57 0.05 0.95 0.04 0.00 0.00 177.00 177.39 1s9y s THR 73 N 1.05 0.97 -0.05 1.26 -4.23 -1.26 -2.22 115.64 111.16 1s9y s THR 73 Ca 0.68 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.31 1s9y s THR 73 Cb -0.43 -2.28 -0.05 0.00 1.34 0.00 0.00 72.50 71.09 1s9y s THR 73 CO 0.32 0.00 1.38 -0.08 -0.54 0.00 0.00 174.62 175.70 1s9y h GLU 74 N 1.56 0.00 0.00 3.99 4.57 -1.99 -3.34 114.58 119.37 1s9y h GLU 74 Ca -0.40 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 1s9y h GLU 74 Cb 1.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1s9y h GLU 74 CO 0.67 0.70 -1.68 0.36 -1.18 0.00 0.00 179.01 177.88 1s9y n LYS 75 N -3.27 0.45 -2.89 1.92 0.00 -1.26 -4.94 118.16 108.17 1s9y n LYS 75 Ca 0.01 -0.14 -0.41 0.00 -0.00 0.00 0.00 58.31 57.78 1s9y n LYS 75 Cb 0.82 -1.51 -0.04 0.00 -0.00 0.00 0.00 35.03 34.30 1s9y n LYS 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1s9y s ASP 76 N -4.03 7.08 -0.18 -5.58 1.01 -1.25 -5.05 116.67 108.66 1s9y s ASP 76 Ca -0.03 1.31 -0.06 0.00 0.71 0.00 0.00 52.55 54.48 1s9y s ASP 76 Cb 0.15 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.57 1s9y s ASP 76 CO 0.90 -0.28 0.01 -1.61 0.21 0.00 0.00 175.17 174.40 1s9y s GLU 77 N 1.46 3.76 0.13 8.23 0.41 -1.26 -4.62 118.70 126.81 1s9y s GLU 77 Ca 0.42 -0.46 0.10 0.00 -0.41 0.00 0.00 54.97 54.62 1s9y s GLU 77 Cb -0.18 -3.09 -0.04 0.00 -1.78 0.00 0.00 34.13 29.04 1s9y s GLU 77 CO 0.18 0.16 -0.22 0.71 -0.49 0.00 0.00 175.26 175.60 1s9y s TYR 78 N 0.63 2.43 0.30 1.61 1.51 -1.26 0.35 117.35 122.92 1s9y s TYR 78 Ca 0.00 -0.32 -0.06 0.00 -1.01 0.00 0.00 57.07 55.69 1s9y s TYR 78 Cb -0.14 -1.29 0.02 0.00 -0.11 0.00 0.00 41.96 40.44 1s9y s TYR 78 CO 0.02 0.38 0.50 0.00 -1.11 0.00 0.00 175.55 175.33 1s9y n ALA 79 N 0.80 -0.74 -3.74 3.71 0.00 -0.37 0.11 120.51 120.27 1s9y n ALA 79 Ca -0.16 -1.21 -0.22 0.00 0.00 0.00 0.00 53.44 51.85 1s9y n ALA 79 Cb 0.53 0.97 -0.17 0.00 0.00 0.00 0.00 19.45 20.77 1s9y n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s9y s ARG 81 N 1.82 4.00 -0.11 0.00 3.52 0.62 -1.20 118.95 127.59 1s9y s ARG 81 Ca 0.02 -0.30 0.03 0.00 -0.13 0.00 0.00 55.73 55.36 1s9y s ARG 81 Cb -0.13 -3.58 0.00 0.00 -1.56 0.00 0.00 34.95 29.69 1s9y s ARG 81 CO -0.04 -0.05 -0.22 0.08 -0.81 0.00 0.00 175.30 174.26 1s9y s VAL 82 N 1.36 1.98 0.02 7.11 1.01 0.34 -0.90 120.40 131.31 1s9y s VAL 82 Ca 0.07 -0.96 0.08 0.00 0.00 0.00 0.00 61.98 61.17 1s9y s VAL 82 Cb -0.15 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1s9y s VAL 82 CO 0.07 0.54 -0.24 0.21 0.00 0.00 0.00 175.10 175.68 1s9y s ASN 83 N 0.52 3.33 -0.05 3.32 3.84 0.10 -0.41 114.94 125.59 1s9y s ASN 83 Ca -0.15 -0.49 -0.29 0.00 0.21 0.00 0.00 52.86 52.13 1s9y s ASN 83 Cb -0.17 -0.41 0.09 0.00 -0.55 0.00 0.00 41.25 40.21 1s9y s ASN 83 CO 0.05 0.28 0.78 -2.28 -2.79 0.00 0.00 177.10 173.14 1s9y s HIS 84 N -0.77 -0.53 0.39 0.43 5.65 -1.26 -1.18 115.29 118.01 1s9y s HIS 84 Ca 0.12 0.79 0.18 0.00 0.25 0.00 0.00 55.06 56.40 1s9y s HIS 84 Cb -0.10 0.45 1.09 0.00 -1.18 0.00 0.00 32.58 32.85 1s9y s HIS 84 CO 0.02 -0.56 1.75 -0.24 -0.65 0.00 0.00 174.74 175.05 1s9y h VAL 85 N 2.65 0.49 0.00 0.89 3.04 -1.95 0.31 116.25 121.67 1s9y h VAL 85 Ca -0.25 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 1s9y h VAL 85 Cb 1.18 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 1s9y h VAL 85 CO 0.36 0.07 0.00 0.35 -1.01 0.00 0.00 177.57 177.34 1s9y n THR 86 N -4.68 0.00 -4.94 3.17 -2.24 -1.26 -4.72 114.28 99.60 1s9y n THR 86 Ca 0.27 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.76 1s9y n THR 86 Cb 0.90 -0.38 -0.15 0.00 -2.10 0.00 0.00 70.33 68.61 1s9y n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1s9y s LEU 87 N -1.51 2.13 0.00 3.22 1.43 0.11 -4.89 118.68 119.17 1s9y s LEU 87 Ca 0.18 -0.53 0.20 0.00 -1.03 0.00 0.00 54.13 52.95 1s9y s LEU 87 Cb 0.08 -1.21 0.09 0.00 0.03 0.00 0.00 46.19 45.18 1s9y s LEU 87 CO 0.14 0.25 1.07 -1.54 0.23 0.00 0.00 176.35 176.51 1s9y n SER 88 N 2.01 2.33 -3.68 2.29 3.41 -1.26 -4.72 113.62 114.01 1s9y n SER 88 Ca -0.17 -1.67 -0.10 0.00 -0.26 0.00 0.00 58.87 56.68 1s9y n SER 88 Cb 0.52 0.21 -0.10 0.00 -0.26 0.00 0.00 64.21 64.58 1s9y n SER 88 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1s9y s GLN 89 N -1.93 0.35 0.27 4.33 2.00 -1.26 -5.13 119.66 118.29 1s9y s GLN 89 Ca 0.20 0.90 -0.29 0.00 -2.00 0.00 0.00 55.36 54.17 1s9y s GLN 89 Cb 0.16 0.14 -0.14 0.00 0.80 0.00 0.00 33.01 33.97 1s9y s GLN 89 CO 0.36 -0.20 1.13 -2.30 -0.50 0.00 0.00 175.29 173.77 1s9y n PRO 90 N 4.81 1.51 -3.62 1.67 -0.02 -1.26 -4.93 135.00 133.15 1s9y n PRO 90 Ca -0.16 0.53 -0.38 0.00 -2.02 0.00 0.00 63.50 61.47 1s9y n PRO 90 Cb 0.52 -1.99 -0.11 0.00 -0.02 0.00 0.00 33.50 31.90 1s9y n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1s9y s LYS 91 N -1.22 3.91 -0.12 -0.52 2.20 0.45 -4.88 119.74 119.57 1s9y s LYS 91 Ca 0.62 -0.34 -0.10 0.00 -0.36 0.00 0.00 55.97 55.79 1s9y s LYS 91 Cb -0.71 -3.60 -0.05 0.00 -1.51 0.00 0.00 37.83 31.97 1s9y s LYS 91 CO 0.57 -0.16 0.21 0.42 -0.36 0.00 0.00 175.35 176.03 1s9y s ILE 92 N 1.68 5.38 -0.17 5.43 -1.09 -1.26 -0.51 121.20 130.66 1s9y s ILE 92 Ca 0.07 0.36 -0.02 0.00 -2.23 0.00 0.00 60.65 58.83 1s9y s ILE 92 Cb -0.16 -3.50 0.05 0.00 -1.58 0.00 0.00 42.46 37.28 1s9y s ILE 92 CO 0.09 0.55 0.01 -0.69 -1.23 0.00 0.00 174.94 173.67 1s9y s VAL 93 N -0.57 0.65 0.57 2.92 1.01 -0.34 -4.94 120.40 119.69 1s9y s VAL 93 Ca 0.15 -0.51 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 1s9y s VAL 93 Cb -0.13 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 1s9y s VAL 93 CO 0.04 -0.08 1.10 -0.54 0.00 0.00 0.00 175.10 175.62 1s9y s LYS 94 N 1.81 3.31 -0.18 2.72 1.02 -1.26 -0.65 119.74 126.51 1s9y s LYS 94 Ca -0.00 1.45 -0.24 0.00 0.02 0.00 0.00 55.97 57.20 1s9y s LYS 94 Cb -0.16 -2.01 -0.02 0.00 -0.52 0.00 0.00 37.83 35.12 1s9y s LYS 94 CO -0.07 -0.85 0.75 -0.46 -0.92 0.00 0.00 175.35 173.80 1s9y s TRP 95 N -2.05 3.41 -0.04 3.18 -0.00 0.12 -4.85 118.94 118.71 1s9y s TRP 95 Ca 0.69 1.13 0.01 0.00 -0.00 0.00 0.00 56.10 57.94 1s9y s TRP 95 Cb -0.20 -2.93 -0.03 0.00 -0.00 0.00 0.00 33.47 30.30 1s9y s TRP 95 CO 0.30 -0.21 -0.06 0.34 -0.00 0.00 0.00 176.95 177.33 1s9y s ASP 96 N 1.16 4.73 0.06 5.86 -1.08 -1.26 -4.80 116.67 121.35 1s9y s ASP 96 Ca 0.35 -0.05 -0.17 0.00 -0.52 0.00 0.00 52.55 52.16 1s9y s ASP 96 Cb -0.16 -1.18 -0.14 0.00 -1.46 0.00 0.00 42.92 39.98 1s9y s ASP 96 CO 0.12 0.33 1.31 0.03 0.52 0.00 0.00 175.17 177.48 1s9y h ARG 97 N 4.91 0.58 -1.92 4.34 3.08 -1.96 -3.29 114.38 120.11 1s9y h ARG 97 Ca -0.49 -0.39 -0.43 0.00 0.07 0.00 0.00 59.98 58.74 1s9y h ARG 97 Cb 1.17 0.06 -0.16 0.00 0.08 0.00 0.00 29.97 31.12 1s9y h ARG 97 CO 0.53 1.01 0.30 -3.47 -1.07 0.00 0.00 179.97 177.27 1s9y n ASP 98 N -4.26 6.32 0.00 7.04 2.03 -1.26 -4.89 116.55 121.52 1s9y n ASP 98 Ca -0.06 -3.09 0.00 0.00 0.52 0.00 0.00 54.79 52.15 1s9y n ASP 98 Cb 0.54 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 39.71 1s9y n ASP 98 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51