#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p7q s GLN 2 N 0.00 2.30 -0.29 0.38 -0.21 -1.26 -4.82 119.66 115.76 1p7q s GLN 2 Ca 0.00 -1.15 -0.16 0.00 0.02 0.00 0.00 55.36 54.07 1p7q s GLN 2 Cb 0.00 -2.53 0.14 0.00 1.00 0.00 0.00 33.01 31.62 1p7q s GLN 2 CO 0.00 -0.87 0.94 -0.98 -2.12 0.00 0.00 175.29 172.26 1p7q s ARG 3 N -4.77 0.41 0.78 2.91 1.70 0.34 -4.90 118.95 115.41 1p7q s ARG 3 Ca 0.60 0.74 -0.15 0.00 -0.47 0.00 0.00 55.73 56.46 1p7q s ARG 3 Cb -0.08 0.15 0.01 0.00 -0.57 0.00 0.00 34.95 34.46 1p7q s ARG 3 CO 0.39 -0.09 0.75 2.41 -1.08 0.00 0.00 175.30 177.68 1p7q n THR 4 N 3.96 1.75 -3.61 4.99 -1.04 -1.26 -1.75 114.28 117.32 1p7q n THR 4 Ca -0.17 -0.31 -0.32 0.00 -2.04 0.00 0.00 64.05 61.21 1p7q n THR 4 Cb 0.57 -0.90 -0.05 0.00 -1.82 0.00 0.00 70.33 68.13 1p7q n THR 4 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1p7q s PRO 5 N -3.34 3.66 -0.34 -2.82 0.04 -1.26 -4.28 135.00 126.66 1p7q s PRO 5 Ca 0.67 -0.01 -0.28 0.00 0.04 0.00 0.00 61.00 61.43 1p7q s PRO 5 Cb -0.31 -2.80 0.02 0.00 0.04 0.00 0.00 34.50 31.45 1p7q s PRO 5 CO 0.56 0.43 1.04 0.15 0.04 0.00 0.00 177.00 179.22 1p7q s LYS 6 N -2.70 3.99 -0.10 4.56 -0.14 0.50 -4.75 119.74 121.11 1p7q s LYS 6 Ca 0.43 0.90 -0.11 0.00 -1.36 0.00 0.00 55.97 55.83 1p7q s LYS 6 Cb -0.12 -3.76 -0.05 0.00 -1.68 0.00 0.00 37.83 32.22 1p7q s LYS 6 CO 0.24 -0.94 0.24 0.42 -0.76 0.00 0.00 175.35 174.55 1p7q s ILE 7 N 3.66 5.33 -0.22 2.17 1.01 -1.26 -0.46 121.20 131.42 1p7q s ILE 7 Ca 0.44 0.45 -0.04 0.00 0.00 0.00 0.00 60.65 61.50 1p7q s ILE 7 Cb -0.12 -3.53 0.10 0.00 0.01 0.00 0.00 42.46 38.91 1p7q s ILE 7 CO 0.17 0.56 0.20 -1.10 0.00 0.00 0.00 174.94 174.77 1p7q s GLN 8 N -0.72 0.19 -0.42 2.79 -0.21 -0.64 -4.94 119.66 115.72 1p7q s GLN 8 Ca 0.17 -0.01 -0.17 0.00 0.02 0.00 0.00 55.36 55.37 1p7q s GLN 8 Cb -0.13 -1.23 0.02 0.00 1.00 0.00 0.00 33.01 32.67 1p7q s GLN 8 CO 0.06 -0.77 0.45 0.08 -2.12 0.00 0.00 175.29 172.99 1p7q s VAL 9 N 2.26 5.08 0.12 1.09 1.01 -1.25 -0.78 120.40 127.94 1p7q s VAL 9 Ca 0.07 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 1p7q s VAL 9 Cb -0.16 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.20 1p7q s VAL 9 CO -0.19 -0.41 0.30 -0.72 0.00 0.00 0.00 175.10 174.08 1p7q s TYR 10 N 2.17 0.08 0.13 5.22 1.13 0.30 -4.40 117.35 121.98 1p7q s TYR 10 Ca 0.13 -0.46 -0.08 0.00 -1.41 0.00 0.00 57.07 55.25 1p7q s TYR 10 Cb -0.17 0.07 -0.06 0.00 -1.10 0.00 0.00 41.96 40.70 1p7q s TYR 10 CO 0.14 -0.66 0.42 -1.54 -2.51 0.00 0.00 175.55 171.40 1p7q s SER 11 N -2.87 6.59 0.23 -0.18 1.04 -1.26 0.59 113.70 117.83 1p7q s SER 11 Ca 0.07 0.74 -0.07 0.00 0.48 0.00 0.00 55.95 57.18 1p7q s SER 11 Cb 0.03 -2.15 0.35 0.00 0.10 0.00 0.00 66.02 64.34 1p7q s SER 11 CO -0.08 0.09 1.77 -0.09 0.98 0.00 0.00 173.24 175.90 1p7q h ARG 12 N 3.19 0.54 -5.14 4.02 2.43 -1.78 -3.43 114.38 114.21 1p7q h ARG 12 Ca -0.48 -0.03 -0.47 0.00 -0.81 0.00 0.00 59.98 58.20 1p7q h ARG 12 Cb 1.18 -0.12 -0.14 0.00 -0.42 0.00 0.00 29.97 30.47 1p7q h ARG 12 CO 0.69 0.35 -0.59 -1.01 -1.51 0.00 0.00 179.97 177.90 1p7q s HIS 13 N -6.06 1.86 0.00 2.20 3.76 -1.26 -5.05 115.29 110.74 1p7q s HIS 13 Ca -0.13 -1.05 0.00 0.00 -0.15 0.00 0.00 55.06 53.73 1p7q s HIS 13 Cb 0.18 -1.20 0.00 0.00 1.11 0.00 0.00 32.58 32.67 1p7q s HIS 13 CO 0.76 -0.10 0.00 -0.35 -0.85 0.00 0.00 174.74 174.20 1p7q n PRO 14 N -0.69 -0.41 0.27 8.40 -0.04 -1.26 -4.91 135.00 136.35 1p7q n PRO 14 Ca -0.03 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.54 1p7q n PRO 14 Cb 0.66 0.00 0.75 0.00 -0.04 0.00 0.00 33.50 34.87 1p7q n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p7q h ALA 15 N -2.00 1.83 -2.47 0.55 0.00 -2.00 -3.49 119.26 111.69 1p7q h ALA 15 Ca 0.00 -0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 1p7q h ALA 15 Cb 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.38 1p7q h ALA 15 CO 0.00 -0.01 -0.72 -1.91 0.00 0.00 0.00 179.25 176.61 1p7q n GLU 16 N -4.27 1.71 0.00 0.00 2.13 -1.26 -4.89 120.64 114.05 1p7q n GLU 16 Ca -0.03 -4.19 0.00 0.00 0.66 0.00 0.00 57.16 53.60 1p7q n GLU 16 Cb 0.10 -2.02 0.00 0.00 0.27 0.00 0.00 31.44 29.78 1p7q n GLU 16 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1p7q n ASN 21 N 1.55 0.00 -4.14 4.31 5.15 -0.36 -5.15 115.26 116.62 1p7q n ASN 21 Ca 0.25 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 54.03 1p7q n ASN 21 Cb 0.42 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.54 1p7q n ASN 21 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1p7q s PHE 22 N -2.00 1.24 -0.27 1.20 0.08 -1.26 0.14 117.98 117.11 1p7q s PHE 22 Ca 0.00 -0.35 -0.08 0.00 0.12 0.00 0.00 56.93 56.62 1p7q s PHE 22 Cb 0.00 -0.74 -0.02 0.00 -0.57 0.00 0.00 43.02 41.69 1p7q s PHE 22 CO 0.00 0.03 0.09 -1.17 -0.10 0.00 0.00 175.22 174.08 1p7q s LEU 23 N -1.10 3.67 -0.11 -0.37 2.96 0.52 -1.95 118.68 122.30 1p7q s LEU 23 Ca 0.02 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1p7q s LEU 23 Cb -0.08 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 1p7q s LEU 23 CO 0.01 -0.09 -0.03 0.20 -1.32 0.00 0.00 176.35 175.11 1p7q s ASN 24 N 1.60 4.89 -0.22 3.68 0.01 0.20 -2.30 114.94 122.80 1p7q s ASN 24 Ca 0.05 -0.01 0.02 0.00 -0.71 0.00 0.00 52.86 52.21 1p7q s ASN 24 Cb -0.16 -1.50 0.04 0.00 0.41 0.00 0.00 41.25 40.05 1p7q s ASN 24 CO 0.04 0.29 -0.14 0.00 -1.51 0.00 0.00 177.10 175.79 1p7q s TYR 26 N 1.23 3.37 -0.30 0.00 5.04 0.04 -1.88 117.35 124.85 1p7q s TYR 26 Ca -0.03 -1.86 -0.11 0.00 -2.44 0.00 0.00 57.07 52.62 1p7q s TYR 26 Cb -0.17 -2.66 -0.04 0.00 0.35 0.00 0.00 41.96 39.44 1p7q s TYR 26 CO -0.08 -0.85 0.20 0.14 -1.34 0.00 0.00 175.55 173.62 1p7q s VAL 27 N 1.29 5.30 0.31 3.14 -7.23 -0.98 -1.62 120.40 120.61 1p7q s VAL 27 Ca 0.01 0.07 0.03 0.00 -1.81 0.00 0.00 61.98 60.28 1p7q s VAL 27 Cb -0.21 -3.58 -0.04 0.00 0.56 0.00 0.00 36.38 33.11 1p7q s VAL 27 CO -0.00 0.18 0.13 -0.94 -0.31 0.00 0.00 175.10 174.16 1p7q s SER 28 N 1.75 1.66 -1.50 4.85 1.04 0.39 -0.37 113.70 121.52 1p7q s SER 28 Ca 0.07 -1.51 -0.13 0.00 0.48 0.00 0.00 55.95 54.86 1p7q s SER 28 Cb -0.16 0.30 0.09 0.00 0.10 0.00 0.00 66.02 66.34 1p7q s SER 28 CO 0.11 -0.82 0.79 0.61 0.98 0.00 0.00 173.24 174.91 1p7q n GLY 29 N -0.60 -0.49 3.45 7.32 0.00 -0.30 0.19 105.19 114.76 1p7q n GLY 29 Ca -0.00 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1p7q n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1p7q s PHE 30 N -3.18 2.43 -0.21 1.61 -0.71 -1.10 -4.55 117.98 112.26 1p7q s PHE 30 Ca 0.59 -0.32 -0.15 0.00 -1.04 0.00 0.00 56.93 56.01 1p7q s PHE 30 Cb -0.30 -1.28 0.06 0.00 -1.21 0.00 0.00 43.02 40.29 1p7q s PHE 30 CO 0.73 0.39 0.53 -1.58 -1.34 0.00 0.00 175.22 173.94 1p7q s HIS 31 N -1.20 -0.69 1.33 3.49 2.46 -0.71 -1.31 115.29 118.66 1p7q s HIS 31 Ca 0.17 1.53 -0.22 0.00 0.47 0.00 0.00 55.06 57.02 1p7q s HIS 31 Cb -0.10 0.31 0.33 0.00 -0.13 0.00 0.00 32.58 32.99 1p7q s HIS 31 CO 0.09 -0.35 1.02 -1.25 -2.47 0.00 0.00 174.74 171.78 1p7q s PRO 32 N 0.87 -2.24 -0.03 2.88 0.04 -1.26 0.13 135.00 135.39 1p7q s PRO 32 Ca -0.05 -0.01 -0.15 0.00 0.04 0.00 0.00 61.00 60.83 1p7q s PRO 32 Cb -0.05 -1.47 -0.08 0.00 0.04 0.00 0.00 34.50 32.93 1p7q s PRO 32 CO -0.07 -4.39 0.64 0.66 0.04 0.00 0.00 177.00 173.88 1p7q h SER 33 N -3.07 -0.46 0.00 6.66 4.64 -1.99 -3.45 113.55 115.88 1p7q h SER 33 Ca -0.43 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1p7q h SER 33 Cb 1.31 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1p7q h SER 33 CO 0.29 -0.05 0.00 0.47 -0.87 0.00 0.00 176.83 176.67 1p7q n ASP 34 N -5.03 0.00 -4.11 4.97 8.00 -1.26 -4.87 116.55 114.25 1p7q n ASP 34 Ca -0.07 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.27 1p7q n ASP 34 Cb 0.22 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.19 1p7q n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1p7q s ILE 35 N 0.00 0.86 -0.22 0.53 2.07 -1.26 -4.42 121.20 118.76 1p7q s ILE 35 Ca 0.00 -1.09 -0.02 0.00 -1.41 0.00 0.00 60.65 58.13 1p7q s ILE 35 Cb 0.00 -0.84 0.01 0.00 0.13 0.00 0.00 42.46 41.75 1p7q s ILE 35 CO 0.00 -0.21 -0.07 -1.61 -1.91 0.00 0.00 174.94 171.14 1p7q s GLU 36 N -1.44 3.14 -0.07 3.50 2.02 -0.98 -5.02 118.70 119.84 1p7q s GLU 36 Ca -0.04 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.20 1p7q s GLU 36 Cb -0.09 -2.93 0.01 0.00 0.10 0.00 0.00 34.13 31.22 1p7q s GLU 36 CO 0.01 -0.27 -0.14 0.08 0.02 0.00 0.00 175.26 174.96 1p7q s VAL 37 N 1.40 1.27 -0.01 2.63 1.01 -1.26 -1.83 120.40 123.61 1p7q s VAL 37 Ca 0.04 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1p7q s VAL 37 Cb -0.15 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.08 1p7q s VAL 37 CO -0.05 0.38 -0.08 -1.81 0.00 0.00 0.00 175.10 173.55 1p7q s ASP 38 N 0.58 0.95 -0.14 3.32 1.01 0.03 -5.00 116.67 117.42 1p7q s ASP 38 Ca -0.15 -0.14 -0.07 0.00 0.71 0.00 0.00 52.55 52.90 1p7q s ASP 38 Cb -0.16 -0.17 -0.04 0.00 1.01 0.00 0.00 42.92 43.56 1p7q s ASP 38 CO 0.04 0.07 0.12 -0.76 0.21 0.00 0.00 175.17 174.86 1p7q s LEU 39 N -0.01 4.24 -0.02 1.23 1.43 -1.26 0.16 118.68 124.45 1p7q s LEU 39 Ca 0.00 0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 53.45 1p7q s LEU 39 Cb -0.05 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.13 1p7q s LEU 39 CO -0.00 0.34 0.06 -1.48 0.23 0.00 0.00 176.35 175.49 1p7q s LEU 40 N -0.59 1.71 -0.25 1.79 0.05 -0.97 0.23 118.68 120.64 1p7q s LEU 40 Ca 0.12 0.11 -0.10 0.00 0.05 0.00 0.00 54.13 54.32 1p7q s LEU 40 Cb -0.12 0.17 -0.04 0.00 -2.05 0.00 0.00 46.19 44.15 1p7q s LEU 40 CO 0.02 -0.03 0.14 -0.54 -0.55 0.00 0.00 176.35 175.39 1p7q s LYS 41 N 0.14 3.91 -0.99 1.48 -0.14 -0.96 -2.28 119.74 120.89 1p7q s LYS 41 Ca -0.01 -0.35 0.00 0.00 -1.36 0.00 0.00 55.97 54.25 1p7q s LYS 41 Cb -0.02 -3.50 0.00 0.00 -1.68 0.00 0.00 37.83 32.64 1p7q s LYS 41 CO -0.00 -0.07 0.00 0.09 -0.76 0.00 0.00 175.35 174.60 1p7q n ASN 42 N 4.67 -3.12 0.00 2.83 3.02 0.13 -0.70 115.26 122.09 1p7q n ASN 42 Ca -0.15 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1p7q n ASN 42 Cb 0.52 -2.83 0.00 0.00 -0.61 0.00 0.00 39.78 36.86 1p7q n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p7q n GLY 43 N -0.50 2.67 3.59 7.41 0.00 -1.26 -4.97 105.19 112.12 1p7q n GLY 43 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 1p7q n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p7q s GLU 44 N -0.84 3.87 0.17 1.61 0.41 0.13 -4.99 118.70 119.05 1p7q s GLU 44 Ca 0.00 0.07 -0.31 0.00 -0.41 0.00 0.00 54.97 54.32 1p7q s GLU 44 Cb 0.00 -3.72 -0.17 0.00 -1.78 0.00 0.00 34.13 28.46 1p7q s GLU 44 CO 0.00 -0.47 0.80 -2.13 -0.49 0.00 0.00 175.26 172.97 1p7q n ARG 45 N 5.60 0.39 -3.48 1.61 0.63 -1.26 -2.27 116.66 117.87 1p7q n ARG 45 Ca -0.05 0.14 -0.36 0.00 -0.92 0.00 0.00 57.85 56.66 1p7q n ARG 45 Cb 0.50 -1.37 -0.06 0.00 0.45 0.00 0.00 32.46 31.98 1p7q n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1p7q s ILE 46 N -0.69 5.00 0.67 5.15 -1.09 0.63 -4.86 121.20 126.01 1p7q s ILE 46 Ca 0.70 0.70 -0.01 0.00 -2.23 0.00 0.00 60.65 59.80 1p7q s ILE 46 Cb -0.94 -3.70 0.09 0.00 -1.58 0.00 0.00 42.46 36.33 1p7q s ILE 46 CO 0.56 0.37 0.94 -1.61 -1.23 0.00 0.00 174.94 173.97 1p7q s GLU 47 N -1.66 1.99 -0.10 2.79 0.41 -1.26 -4.29 118.70 116.58 1p7q s GLU 47 Ca 0.32 -0.87 0.00 0.00 -0.41 0.00 0.00 54.97 54.00 1p7q s GLU 47 Cb -0.15 -2.34 0.00 0.00 -1.78 0.00 0.00 34.13 29.85 1p7q s GLU 47 CO 0.17 -1.22 0.00 1.63 -0.49 0.00 0.00 175.26 175.35 1p7q n LYS 48 N -2.72 -1.33 -1.32 1.61 4.01 -1.26 -4.87 118.16 112.27 1p7q n LYS 48 Ca 0.12 0.38 -0.56 0.00 -0.51 0.00 0.00 58.31 57.74 1p7q n LYS 48 Cb 0.60 -4.41 -0.11 0.00 -0.51 0.00 0.00 35.03 30.61 1p7q n LYS 48 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1p7q n VAL 49 N -2.34 0.05 -3.60 -0.18 0.31 -1.26 -4.91 118.33 106.40 1p7q n VAL 49 Ca -0.01 -0.08 -0.31 0.00 -0.01 0.00 0.00 64.34 63.93 1p7q n VAL 49 Cb 0.35 -0.85 -0.05 0.00 -0.91 0.00 0.00 33.84 32.38 1p7q n VAL 49 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1p7q s GLU 50 N 6.29 3.64 0.16 5.55 2.02 -1.20 -4.97 118.70 130.19 1p7q s GLU 50 Ca 1.18 -0.03 -0.01 0.00 0.02 0.00 0.00 54.97 56.13 1p7q s GLU 50 Cb -1.29 -2.79 -0.04 0.00 0.10 0.00 0.00 34.13 30.11 1p7q s GLU 50 CO 0.60 0.41 0.07 -3.38 0.02 0.00 0.00 175.26 172.98 1p7q s HIS 51 N -1.74 1.01 0.68 1.61 -3.43 -1.26 -1.54 115.29 110.62 1p7q s HIS 51 Ca 0.42 -1.25 -0.08 0.00 -0.80 0.00 0.00 55.06 53.36 1p7q s HIS 51 Cb -0.12 -0.55 0.15 0.00 -1.43 0.00 0.00 32.58 30.64 1p7q s HIS 51 CO 0.25 -0.51 0.93 -1.13 -2.00 0.00 0.00 174.74 172.27 1p7q n SER 52 N -0.18 0.48 -4.89 7.38 3.41 -0.43 -4.96 113.62 114.43 1p7q n SER 52 Ca -0.03 -1.58 -0.30 0.00 -0.26 0.00 0.00 58.87 56.70 1p7q n SER 52 Cb 0.64 -0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 63.88 1p7q n SER 52 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1p7q s ASP 53 N -4.52 6.51 0.40 4.04 1.01 -1.26 -4.82 116.67 118.02 1p7q s ASP 53 Ca 0.56 0.84 -0.26 0.00 0.71 0.00 0.00 52.55 54.39 1p7q s ASP 53 Cb -0.02 -2.19 -0.09 0.00 1.01 0.00 0.00 42.92 41.63 1p7q s ASP 53 CO 0.38 -0.19 1.25 -0.22 0.21 0.00 0.00 175.17 176.59 1p7q s LEU 54 N -3.40 4.23 0.28 1.23 2.96 -1.26 -4.87 118.68 117.85 1p7q s LEU 54 Ca 0.46 2.53 -0.17 0.00 -0.22 0.00 0.00 54.13 56.73 1p7q s LEU 54 Cb -0.11 -3.92 0.02 0.00 0.50 0.00 0.00 46.19 42.67 1p7q s LEU 54 CO 0.28 -0.75 0.64 -0.55 -1.32 0.00 0.00 176.35 174.64 1p7q s SER 55 N -0.88 -0.12 0.32 3.68 0.15 -1.24 -5.04 113.70 110.57 1p7q s SER 55 Ca 0.56 -0.82 0.03 0.00 0.70 0.00 0.00 55.95 56.42 1p7q s SER 55 Cb -0.35 0.69 -0.01 0.00 -1.71 0.00 0.00 66.02 64.64 1p7q s SER 55 CO 0.45 -1.32 0.37 2.22 1.20 0.00 0.00 173.24 176.16 1p7q n PHE 56 N -0.45 -1.08 -0.35 3.44 1.16 -1.26 -0.80 117.46 118.12 1p7q n PHE 56 Ca -0.03 -2.42 0.00 0.00 -1.87 0.00 0.00 57.45 53.13 1p7q n PHE 56 Cb 0.60 0.40 0.00 0.00 -1.61 0.00 0.00 39.48 38.87 1p7q n PHE 56 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 1p7q n SER 57 N -1.71 0.00 -0.09 5.98 7.64 -0.92 -4.92 113.62 119.59 1p7q n SER 57 Ca 0.04 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.71 1p7q n SER 57 Cb 0.56 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.64 1p7q n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1p7q h LYS 58 N 0.00 0.02 0.00 1.43 1.63 -2.03 -3.32 116.57 114.31 1p7q h LYS 58 Ca 0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1p7q h LYS 58 Cb 0.00 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1p7q h LYS 58 CO 0.00 1.02 0.00 -0.40 -3.45 0.00 0.00 179.45 176.62 1p7q n ASP 59 N -4.38 0.00 0.00 4.20 5.75 -1.26 -4.81 116.55 116.05 1p7q n ASP 59 Ca -0.29 -0.78 0.00 0.00 -0.01 0.00 0.00 54.79 53.71 1p7q n ASP 59 Cb 0.69 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 1p7q n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1p7q n TRP 60 N -0.60 0.00 -1.98 2.11 7.02 -1.25 -4.98 117.44 117.76 1p7q n TRP 60 Ca 0.02 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.08 1p7q n TRP 60 Cb 0.01 -0.13 -0.03 0.00 -2.42 0.00 0.00 31.31 28.74 1p7q n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1p7q s SER 61 N -3.31 6.65 1.33 -0.99 1.04 -1.26 -4.42 113.70 112.74 1p7q s SER 61 Ca 0.00 2.33 -0.18 0.00 0.48 0.00 0.00 55.95 58.58 1p7q s SER 61 Cb 0.00 -2.55 0.34 0.00 0.10 0.00 0.00 66.02 63.92 1p7q s SER 61 CO 0.00 -0.90 0.95 0.49 0.98 0.00 0.00 173.24 174.76 1p7q n PHE 62 N 6.50 -2.47 -3.64 5.02 3.72 -0.42 -2.18 117.46 123.98 1p7q n PHE 62 Ca 0.17 -0.48 -0.06 0.00 -0.05 0.00 0.00 57.45 57.03 1p7q n PHE 62 Cb 0.42 -1.53 -0.07 0.00 -0.94 0.00 0.00 39.48 37.36 1p7q n PHE 62 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 1p7q s TYR 63 N -2.27 -0.86 0.30 1.38 -0.85 0.02 -1.16 117.35 113.92 1p7q s TYR 63 Ca 0.69 1.76 0.03 0.00 -0.52 0.00 0.00 57.07 59.02 1p7q s TYR 63 Cb -0.20 0.50 -0.05 0.00 0.38 0.00 0.00 41.96 42.58 1p7q s TYR 63 CO 0.62 -0.42 0.09 -0.51 -1.52 0.00 0.00 175.55 173.81 1p7q s LEU 64 N 1.33 1.87 -0.20 -3.49 1.43 0.51 -3.72 118.68 116.41 1p7q s LEU 64 Ca -0.08 -1.43 -0.04 0.00 -1.03 0.00 0.00 54.13 51.55 1p7q s LEU 64 Cb -0.05 -0.12 0.10 0.00 0.03 0.00 0.00 46.19 46.15 1p7q s LEU 64 CO -0.15 -0.72 0.29 -0.22 0.23 0.00 0.00 176.35 175.77 1p7q s LEU 65 N -3.41 -0.34 -0.17 1.79 2.96 -1.26 -2.32 118.68 115.93 1p7q s LEU 65 Ca 0.36 0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 54.31 1p7q s LEU 65 Cb 0.07 0.72 -0.04 0.00 0.50 0.00 0.00 46.19 47.44 1p7q s LEU 65 CO 0.15 -0.30 0.09 -0.31 -1.32 0.00 0.00 176.35 174.66 1p7q s TYR 66 N 2.43 3.36 -0.03 5.38 1.51 -0.79 -1.31 117.35 127.89 1p7q s TYR 66 Ca 0.07 0.25 -0.13 0.00 -1.01 0.00 0.00 57.07 56.26 1p7q s TYR 66 Cb -0.15 -2.05 0.02 0.00 -0.11 0.00 0.00 41.96 39.67 1p7q s TYR 66 CO -0.13 0.33 0.28 1.52 -1.11 0.00 0.00 175.55 176.45 1p7q s TYR 67 N -0.00 -0.18 0.06 2.71 1.13 -0.59 -0.92 117.35 119.57 1p7q s TYR 67 Ca 0.08 0.31 -0.04 0.00 -1.41 0.00 0.00 57.07 56.01 1p7q s TYR 67 Cb -0.12 0.08 -0.03 0.00 -1.10 0.00 0.00 41.96 40.79 1p7q s TYR 67 CO 0.00 -0.32 0.05 -0.08 -2.51 0.00 0.00 175.55 172.69 1p7q s THR 68 N -1.02 0.19 0.50 -3.49 -1.32 -0.97 -3.23 115.64 106.29 1p7q s THR 68 Ca -0.11 -1.57 -0.10 0.00 -1.21 0.00 0.00 61.69 58.69 1p7q s THR 68 Cb -0.05 -1.44 -0.05 0.00 -1.51 0.00 0.00 72.50 69.45 1p7q s THR 68 CO 0.03 -0.87 0.88 -1.83 -2.21 0.00 0.00 174.62 170.62 1p7q s GLU 69 N -3.86 3.71 0.00 7.08 -1.05 -1.26 0.20 118.70 123.52 1p7q s GLU 69 Ca 0.06 0.56 0.00 0.00 -0.15 0.00 0.00 54.97 55.44 1p7q s GLU 69 Cb 0.07 -2.26 0.00 0.00 -0.44 0.00 0.00 34.13 31.50 1p7q s GLU 69 CO -0.10 -0.26 0.00 1.97 0.95 0.00 0.00 175.26 177.82 1p7q n PHE 70 N -1.96 0.00 -3.70 4.83 -1.74 0.38 -4.73 117.46 110.54 1p7q n PHE 70 Ca 0.04 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.79 1p7q n PHE 70 Cb 0.54 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.46 1p7q n PHE 70 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1p7q s THR 71 N -3.58 0.01 -2.00 1.97 2.01 -1.26 -1.22 115.64 111.57 1p7q s THR 71 Ca 0.00 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.88 1p7q s THR 71 Cb 0.00 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.81 1p7q s THR 71 CO 0.00 -0.06 0.12 -2.65 -0.69 0.00 0.00 174.62 171.33 1p7q n PRO 72 N 2.18 0.00 0.00 4.92 -0.02 -1.26 -5.07 135.00 135.75 1p7q n PRO 72 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1p7q n PRO 72 Cb 0.57 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 1p7q n PRO 72 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1p7q n THR 73 N -0.61 0.00 -1.58 3.45 -2.24 -1.26 -5.12 114.28 106.91 1p7q n THR 73 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1p7q n THR 73 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1p7q n THR 73 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1p7q n ASP 76 N 0.00 -7.90 -4.89 3.42 5.68 -1.26 -5.19 116.55 106.41 1p7q n ASP 76 Ca 0.00 1.58 -0.29 0.00 -0.50 0.00 0.00 54.79 55.58 1p7q n ASP 76 Cb 0.00 -4.87 -0.01 0.00 -1.14 0.00 0.00 41.12 35.10 1p7q n ASP 76 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1p7q s GLU 77 N -4.81 3.62 0.01 0.11 2.12 -1.26 -4.90 118.70 113.59 1p7q s GLU 77 Ca 0.00 0.40 -0.08 0.00 0.36 0.00 0.00 54.97 55.65 1p7q s GLU 77 Cb 0.00 -2.31 0.00 0.00 0.26 0.00 0.00 34.13 32.09 1p7q s GLU 77 CO 0.00 -0.25 0.16 0.71 -0.54 0.00 0.00 175.26 175.34 1p7q s TYR 78 N -2.75 0.04 0.05 5.30 2.02 -1.26 0.21 117.35 120.96 1p7q s TYR 78 Ca 0.50 -0.16 -0.27 0.00 -0.37 0.00 0.00 57.07 56.77 1p7q s TYR 78 Cb -0.10 -0.04 0.10 0.00 -0.40 0.00 0.00 41.96 41.51 1p7q s TYR 78 CO 0.43 -0.33 1.19 0.00 -1.57 0.00 0.00 175.55 175.27 1p7q s ALA 79 N -1.73 -2.09 -0.10 3.71 0.00 -0.97 -2.22 121.76 118.37 1p7q s ALA 79 Ca -0.12 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.10 1p7q s ALA 79 Cb -0.05 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.69 1p7q s ALA 79 CO 0.00 -1.08 -0.16 0.00 0.00 0.00 0.00 175.76 174.52 1p7q s ARG 81 N 0.78 3.77 -0.17 0.00 3.52 0.12 0.33 118.95 127.30 1p7q s ARG 81 Ca -0.11 0.17 -0.09 0.00 -0.13 0.00 0.00 55.73 55.57 1p7q s ARG 81 Cb -0.16 -3.23 0.06 0.00 -1.56 0.00 0.00 34.95 30.06 1p7q s ARG 81 CO 0.02 0.68 0.42 0.08 -0.81 0.00 0.00 175.30 175.68 1p7q s VAL 82 N -0.89 -0.10 -0.18 7.11 1.01 0.37 -0.79 120.40 126.94 1p7q s VAL 82 Ca 0.20 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 1p7q s VAL 82 Cb -0.14 -0.62 0.05 0.00 0.00 0.00 0.00 36.38 35.67 1p7q s VAL 82 CO 0.09 0.04 0.03 0.21 0.00 0.00 0.00 175.10 175.46 1p7q s ASN 83 N 1.55 2.72 0.07 3.32 3.04 -0.76 0.93 114.94 125.80 1p7q s ASN 83 Ca -0.09 -0.71 0.00 0.00 0.04 0.00 0.00 52.86 52.10 1p7q s ASN 83 Cb -0.09 -0.59 0.00 0.00 -1.54 0.00 0.00 41.25 39.03 1p7q s ASN 83 CO -0.13 -0.28 0.00 1.57 -3.04 0.00 0.00 177.10 175.22 1p7q n HIS 84 N 5.06 -1.04 -0.79 0.43 -0.00 -1.26 -2.31 115.22 115.31 1p7q n HIS 84 Ca -0.09 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.71 1p7q n HIS 84 Cb 0.48 0.00 0.32 0.00 -0.00 0.00 0.00 29.99 30.79 1p7q n HIS 84 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.34 177.67 1p7q n VAL 85 N -0.39 2.21 -0.00 3.57 0.24 -1.26 -3.96 118.33 118.72 1p7q n VAL 85 Ca 0.00 -1.47 0.04 0.00 -2.04 0.00 0.00 64.34 60.87 1p7q n VAL 85 Cb 0.00 -0.09 -0.06 0.00 -1.47 0.00 0.00 33.84 32.22 1p7q n VAL 85 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1p7q n THR 86 N 0.39 0.01 -3.70 3.34 -1.04 -1.26 -4.94 114.28 107.08 1p7q n THR 86 Ca 0.24 -0.18 -0.37 0.00 -2.04 0.00 0.00 64.05 61.70 1p7q n THR 86 Cb 0.95 0.30 -0.12 0.00 -1.82 0.00 0.00 70.33 69.64 1p7q n THR 86 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1p7q s LEU 87 N -3.56 3.64 0.13 -4.42 1.43 -1.25 -4.97 118.68 109.66 1p7q s LEU 87 Ca -0.03 -0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.64 1p7q s LEU 87 Cb 0.05 -1.99 -0.07 0.00 0.03 0.00 0.00 46.19 44.21 1p7q s LEU 87 CO 0.33 -0.04 1.58 0.77 0.23 0.00 0.00 176.35 179.22 1p7q h SER 88 N 8.28 -1.29 -4.29 2.29 4.64 -1.92 -3.42 113.55 117.84 1p7q h SER 88 Ca -0.37 0.16 -0.58 0.00 -0.47 0.00 0.00 61.79 60.53 1p7q h SER 88 Cb 1.18 0.51 -0.26 0.00 -0.31 0.00 0.00 62.40 63.52 1p7q h SER 88 CO 0.57 -0.44 -0.84 0.00 -0.87 0.00 0.00 176.83 175.25 1p7q s GLN 89 N -5.89 1.38 -0.29 4.77 -2.07 -1.26 -5.06 119.66 111.24 1p7q s GLN 89 Ca -0.16 -0.93 -0.35 0.00 -1.82 0.00 0.00 55.36 52.11 1p7q s GLN 89 Cb 0.09 -1.48 -0.16 0.00 -1.09 0.00 0.00 33.01 30.37 1p7q s GLN 89 CO 0.64 0.38 1.14 -2.30 -1.32 0.00 0.00 175.29 173.83 1p7q n PRO 90 N 1.87 0.00 -3.07 9.60 -0.02 -1.26 -4.93 135.00 137.19 1p7q n PRO 90 Ca -0.17 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 60.91 1p7q n PRO 90 Cb 0.53 -1.17 -0.05 0.00 -0.02 0.00 0.00 33.50 32.79 1p7q n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1p7q s LYS 91 N 1.73 4.29 0.18 -0.52 2.20 0.26 -4.80 119.74 123.09 1p7q s LYS 91 Ca 0.79 0.74 0.05 0.00 -0.36 0.00 0.00 55.97 57.19 1p7q s LYS 91 Cb -1.12 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 31.63 1p7q s LYS 91 CO 0.59 -0.16 0.19 0.42 -0.36 0.00 0.00 175.35 176.03 1p7q s ILE 92 N 1.61 4.70 -0.18 5.43 1.01 -1.26 -0.48 121.20 132.03 1p7q s ILE 92 Ca 0.32 -1.04 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 1p7q s ILE 92 Cb -0.16 -3.43 0.09 0.00 0.01 0.00 0.00 42.46 38.96 1p7q s ILE 92 CO 0.12 -0.15 0.26 -0.69 0.00 0.00 0.00 174.94 174.49 1p7q s VAL 93 N -1.81 -0.41 0.18 2.92 1.01 0.15 -4.89 120.40 117.55 1p7q s VAL 93 Ca 0.32 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 62.07 1p7q s VAL 93 Cb -0.10 -0.59 -0.08 0.00 0.00 0.00 0.00 36.38 35.61 1p7q s VAL 93 CO 0.25 -0.05 1.08 -1.59 0.00 0.00 0.00 175.10 174.80 1p7q s LYS 94 N 2.40 4.61 -0.25 2.72 0.00 -1.26 0.79 119.74 128.75 1p7q s LYS 94 Ca 0.05 1.70 -0.29 0.00 0.00 0.00 0.00 55.97 57.43 1p7q s LYS 94 Cb -0.14 -3.28 -0.03 0.00 0.00 0.00 0.00 37.83 34.39 1p7q s LYS 94 CO -0.11 0.11 1.69 -0.46 0.00 0.00 0.00 175.35 176.58 1p7q s TRP 95 N -0.33 1.97 -0.30 1.78 -0.00 -0.94 -4.92 118.94 116.20 1p7q s TRP 95 Ca 0.48 0.54 -0.24 0.00 -0.00 0.00 0.00 56.10 56.88 1p7q s TRP 95 Cb -0.29 -4.04 0.00 0.00 -0.00 0.00 0.00 33.47 29.14 1p7q s TRP 95 CO 0.35 -3.04 0.83 0.34 -0.00 0.00 0.00 176.95 175.43 1p7q s ASP 96 N 4.88 6.72 0.52 5.86 -1.08 -1.26 -4.88 116.67 127.42 1p7q s ASP 96 Ca 0.75 0.77 0.42 0.00 -0.52 0.00 0.00 52.55 53.97 1p7q s ASP 96 Cb -0.25 -2.43 1.62 0.00 -1.46 0.00 0.00 42.92 40.40 1p7q s ASP 96 CO 0.31 -0.63 1.61 0.03 0.52 0.00 0.00 175.17 177.02 1p7q h ARG 97 N 8.04 0.02 0.00 4.34 -0.00 -1.94 0.21 114.38 125.05 1p7q h ARG 97 Ca -0.24 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.24 1p7q h ARG 97 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.06 1p7q h ARG 97 CO 0.90 0.01 0.00 -0.40 0.00 0.00 0.00 179.97 180.48 1p7q n ASP 98 N -4.23 1.54 0.00 7.04 5.68 -1.26 -4.99 116.55 120.33 1p7q n ASP 98 Ca 0.40 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 53.08 1p7q n ASP 98 Cb 1.74 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.72 1p7q n ASP 98 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10