#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n7t n SER 2 N 0.00 3.45 -4.63 1.61 3.41 -1.26 -4.99 113.62 111.20 1n7t n SER 2 Ca 0.00 -3.80 -0.37 0.00 -0.26 0.00 0.00 58.87 54.44 1n7t n SER 2 Cb 0.00 -0.59 -0.10 0.00 -0.26 0.00 0.00 64.21 63.26 1n7t n SER 2 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1n7t s HIS 3 N -3.39 3.28 0.63 7.33 4.02 -1.26 -5.09 115.29 120.81 1n7t s HIS 3 Ca 0.47 0.21 0.05 0.00 1.02 0.00 0.00 55.06 56.81 1n7t s HIS 3 Cb 0.41 -2.33 0.10 0.00 -1.02 0.00 0.00 32.58 29.74 1n7t s HIS 3 CO -0.00 -0.03 0.86 -1.64 1.02 0.00 0.00 174.74 174.95 1n7t s MET 4 N 1.35 2.08 0.00 1.40 -1.94 -1.26 -5.07 119.30 115.86 1n7t s MET 4 Ca 0.08 -1.34 0.00 0.00 -1.71 0.00 0.00 55.69 52.72 1n7t s MET 4 Cb -0.14 -2.51 0.00 0.00 2.01 0.00 0.00 34.83 34.19 1n7t s MET 4 CO 0.07 -1.06 0.00 0.41 -0.01 0.00 0.00 175.02 174.43 1n7t n GLY 5 N -2.48 -0.42 1.53 -0.03 0.00 -1.26 -5.09 105.19 97.45 1n7t n GLY 5 Ca 0.14 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1n7t n GLY 5 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1n7t n HIS 6 N 8.15 -0.74 -4.17 1.61 8.25 -1.26 -5.14 115.22 121.91 1n7t n HIS 6 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 1n7t n HIS 6 Cb 0.00 0.38 -0.07 0.00 1.12 0.00 0.00 29.99 31.42 1n7t n HIS 6 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1n7t s GLU 7 N -0.77 2.50 0.12 -0.41 8.01 -1.26 -5.14 118.70 121.76 1n7t s GLU 7 Ca 0.00 -1.03 -0.05 0.00 0.01 0.00 0.00 54.97 53.90 1n7t s GLU 7 Cb 0.00 -2.43 -0.02 0.00 -4.31 0.00 0.00 34.13 27.37 1n7t s GLU 7 CO 0.00 0.47 0.13 -0.51 0.01 0.00 0.00 175.26 175.36 1n7t s LEU 8 N -2.89 1.60 -0.52 1.80 1.43 -1.26 -5.12 118.68 113.73 1n7t s LEU 8 Ca 0.28 -0.99 0.04 0.00 -1.03 0.00 0.00 54.13 52.43 1n7t s LEU 8 Cb -0.10 0.66 0.16 0.00 0.03 0.00 0.00 46.19 46.94 1n7t s LEU 8 CO 0.19 -0.76 0.37 0.00 0.23 0.00 0.00 176.35 176.39 1n7t s ALA 9 N -3.97 2.40 0.31 4.21 0.00 -1.26 -5.09 121.76 118.36 1n7t s ALA 9 Ca 0.16 -2.97 -0.18 0.00 0.00 0.00 0.00 51.96 48.97 1n7t s ALA 9 Cb 0.06 -1.86 0.06 0.00 0.00 0.00 0.00 23.12 21.38 1n7t s ALA 9 CO -0.03 -2.04 0.86 0.15 0.00 0.00 0.00 175.76 174.71 1n7t s LYS 10 N -0.41 1.90 -0.11 0.00 -0.14 -1.26 -4.34 119.74 115.38 1n7t s LYS 10 Ca 0.27 -1.21 -0.17 0.00 -1.36 0.00 0.00 55.97 53.50 1n7t s LYS 10 Cb -0.05 0.54 0.04 0.00 -1.68 0.00 0.00 37.83 36.68 1n7t s LYS 10 CO -0.14 -0.89 0.43 1.14 -0.76 0.00 0.00 175.35 175.13 1n7t s GLN 11 N -2.43 0.61 -0.25 1.68 -2.07 -1.26 -5.04 119.66 110.89 1n7t s GLN 11 Ca 0.17 0.37 -0.02 0.00 -1.82 0.00 0.00 55.36 54.06 1n7t s GLN 11 Cb -0.04 0.29 0.08 0.00 -1.09 0.00 0.00 33.01 32.24 1n7t s GLN 11 CO 0.09 -0.12 0.06 -2.00 -1.32 0.00 0.00 175.29 172.00 1n7t s GLU 12 N -0.32 0.71 0.21 9.60 2.12 -1.26 -3.73 118.70 126.03 1n7t s GLU 12 Ca -0.05 -0.73 0.10 0.00 0.36 0.00 0.00 54.97 54.65 1n7t s GLU 12 Cb -0.03 -2.02 -0.04 0.00 0.26 0.00 0.00 34.13 32.29 1n7t s GLU 12 CO 0.02 -0.81 -0.15 0.96 -0.54 0.00 0.00 175.26 174.75 1n7t s ILE 13 N 1.75 2.83 0.56 -3.70 -4.36 -0.95 -4.98 121.20 112.35 1n7t s ILE 13 Ca 0.04 -1.95 -0.02 0.00 -0.26 0.00 0.00 60.65 58.46 1n7t s ILE 13 Cb -0.17 -2.42 0.02 0.00 1.25 0.00 0.00 42.46 41.14 1n7t s ILE 13 CO -0.17 -0.20 0.82 -0.13 0.24 0.00 0.00 174.94 175.50 1n7t s ARG 14 N -3.02 2.69 -0.13 0.37 0.52 -1.26 -1.05 118.95 117.07 1n7t s ARG 14 Ca 0.25 -0.44 -0.05 0.00 -0.52 0.00 0.00 55.73 54.97 1n7t s ARG 14 Cb -0.07 -2.40 0.06 0.00 0.52 0.00 0.00 34.95 33.06 1n7t s ARG 14 CO 0.14 -0.70 0.28 0.08 0.02 0.00 0.00 175.30 175.12 1n7t s VAL 15 N -2.85 -0.32 -0.30 3.52 1.01 0.16 -4.84 120.40 116.78 1n7t s VAL 15 Ca 0.55 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.71 1n7t s VAL 15 Cb -0.10 -0.45 0.03 0.00 0.00 0.00 0.00 36.38 35.85 1n7t s VAL 15 CO 0.41 0.10 0.06 -0.60 0.00 0.00 0.00 175.10 175.06 1n7t s ARG 16 N 2.10 2.83 -0.13 2.72 3.52 -1.26 0.78 118.95 129.51 1n7t s ARG 16 Ca -0.02 -1.02 0.03 0.00 -0.13 0.00 0.00 55.73 54.59 1n7t s ARG 16 Cb -0.11 -3.32 0.01 0.00 -1.56 0.00 0.00 34.95 29.96 1n7t s ARG 16 CO -0.09 -0.53 -0.22 0.08 -0.81 0.00 0.00 175.30 173.73 1n7t s VAL 17 N 1.42 2.04 -0.20 7.11 1.01 0.15 -4.91 120.40 127.01 1n7t s VAL 17 Ca 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 60.92 1n7t s VAL 17 Cb -0.18 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1n7t s VAL 17 CO 0.01 0.55 0.10 -1.61 0.00 0.00 0.00 175.10 174.15 1n7t s GLU 18 N 0.73 4.04 -0.27 2.72 2.02 -1.26 0.91 118.70 127.60 1n7t s GLU 18 Ca -0.09 -0.30 -0.29 0.00 0.02 0.00 0.00 54.97 54.31 1n7t s GLU 18 Cb -0.16 -3.34 -0.01 0.00 0.10 0.00 0.00 34.13 30.72 1n7t s GLU 18 CO 0.00 0.22 1.46 0.21 0.02 0.00 0.00 175.26 177.17 1n7t s LYS 19 N 0.56 3.83 -0.35 1.61 2.47 0.36 -4.70 119.74 123.52 1n7t s LYS 19 Ca 0.05 1.42 -0.07 0.00 -1.56 0.00 0.00 55.97 55.82 1n7t s LYS 19 Cb -0.12 -3.96 0.20 0.00 -1.46 0.00 0.00 37.83 32.49 1n7t s LYS 19 CO 0.01 -1.24 1.06 0.34 0.16 0.00 0.00 175.35 175.67 1n7t s ASP 20 N 3.58 -0.37 0.25 1.43 2.15 -1.26 -4.73 116.67 117.71 1n7t s ASP 20 Ca 0.64 -0.36 0.17 0.00 0.43 0.00 0.00 52.55 53.44 1n7t s ASP 20 Cb -0.20 0.49 0.06 0.00 -0.30 0.00 0.00 42.92 42.96 1n7t s ASP 20 CO 0.27 -0.02 1.29 1.55 -0.17 0.00 0.00 175.17 178.08 1n7t h PRO 21 N 4.67 0.00 0.00 4.34 0.14 -2.05 -3.49 132.00 135.61 1n7t h PRO 21 Ca -0.01 0.00 -0.43 0.00 0.14 0.00 0.00 66.00 65.70 1n7t h PRO 21 Cb 1.19 0.00 -0.10 0.00 0.14 0.00 0.00 31.00 32.23 1n7t h PRO 21 CO -0.09 0.32 -0.36 0.39 0.14 0.00 0.00 178.00 178.40 1n7t n GLU 22 N -3.07 0.66 0.45 0.86 4.71 -1.26 -5.08 120.64 117.90 1n7t n GLU 22 Ca -0.00 -2.68 -0.18 0.00 -0.01 0.00 0.00 57.16 54.28 1n7t n GLU 22 Cb 0.70 1.47 -0.09 0.00 -1.01 0.00 0.00 31.44 32.52 1n7t n GLU 22 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1n7t h LEU 23 N 0.00 -0.97 0.00 -4.62 4.07 -1.95 -3.40 115.31 108.44 1n7t h LEU 23 Ca -0.25 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.74 1n7t h LEU 23 Cb 0.94 0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.94 1n7t h LEU 23 CO 0.39 -0.62 0.00 0.61 -1.08 0.00 0.00 178.44 177.74 1n7t n GLY 24 N -1.17 2.00 3.59 0.83 0.00 -1.26 -4.45 105.19 104.73 1n7t n GLY 24 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1n7t n GLY 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1n7t s PHE 25 N -2.00 -0.35 0.07 1.61 -0.12 -1.26 -3.71 117.98 112.21 1n7t s PHE 25 Ca 0.00 0.63 0.00 0.00 -0.05 0.00 0.00 56.93 57.51 1n7t s PHE 25 Cb 0.00 0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.80 1n7t s PHE 25 CO 0.00 -0.31 0.21 -1.54 -0.05 0.00 0.00 175.22 173.52 1n7t s SER 26 N -1.00 6.29 0.11 1.98 1.04 -1.13 -5.06 113.70 115.94 1n7t s SER 26 Ca -0.01 0.24 0.10 0.00 0.48 0.00 0.00 55.95 56.77 1n7t s SER 26 Cb -0.01 -1.92 -0.04 0.00 0.10 0.00 0.00 66.02 64.16 1n7t s SER 26 CO 0.00 0.16 -0.27 0.27 0.98 0.00 0.00 173.24 174.39 1n7t s ILE 27 N -1.52 2.21 0.07 -1.02 -4.36 -1.26 -3.18 121.20 112.13 1n7t s ILE 27 Ca 0.35 -1.67 -0.04 0.00 -0.26 0.00 0.00 60.65 59.03 1n7t s ILE 27 Cb -0.13 -1.94 -0.02 0.00 1.25 0.00 0.00 42.46 41.62 1n7t s ILE 27 CO 0.28 0.14 0.07 -0.94 0.24 0.00 0.00 174.94 174.72 1n7t s SER 28 N -1.87 0.33 0.00 4.36 1.04 -0.89 -4.94 113.70 111.74 1n7t s SER 28 Ca 0.13 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1n7t s SER 28 Cb -0.10 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1n7t s SER 28 CO 0.05 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.22 1n7t n GLY 29 N 0.03 -0.16 0.00 7.32 0.00 -1.19 -1.68 105.19 109.51 1n7t n GLY 29 Ca -0.14 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1n7t n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n7t n GLY 30 N 0.00 2.44 3.55 -0.02 0.00 -0.50 -4.23 105.19 106.42 1n7t n GLY 30 Ca 0.00 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 1n7t n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n7t s VAL 31 N -2.70 3.67 0.00 1.61 1.01 -0.32 -3.08 120.40 120.59 1n7t s VAL 31 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1n7t s VAL 31 Cb 0.00 -4.73 0.00 0.00 0.00 0.00 0.00 36.38 31.65 1n7t s VAL 31 CO 0.00 -1.66 0.00 0.61 0.00 0.00 0.00 175.10 174.05 1n7t n GLY 32 N 5.42 0.80 0.00 4.51 0.00 -1.26 -4.54 105.19 110.12 1n7t n GLY 32 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1n7t n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n7t n GLY 33 N -2.25 0.77 0.27 -0.02 0.00 -1.18 -4.94 105.19 97.84 1n7t n GLY 33 Ca 0.00 -1.75 0.11 0.00 0.00 0.00 0.00 46.02 44.38 1n7t n GLY 33 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1n7t h ARG 34 N 0.00 0.00 0.00 1.61 2.47 -1.88 -3.49 114.38 113.09 1n7t h ARG 34 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1n7t h ARG 34 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1n7t h ARG 34 CO 0.00 0.04 0.00 0.41 0.56 0.00 0.00 179.97 180.98 1n7t n GLY 35 N -1.27 2.42 3.42 0.04 0.00 -1.26 -4.95 105.19 103.58 1n7t n GLY 35 Ca -0.03 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 1n7t n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n7t s ASN 36 N 0.00 4.31 -0.36 1.61 4.22 -1.26 -3.18 114.94 120.28 1n7t s ASN 36 Ca 0.00 -0.25 0.01 0.00 -2.14 0.00 0.00 52.86 50.48 1n7t s ASN 36 Cb 0.00 -1.68 0.39 0.00 1.28 0.00 0.00 41.25 41.24 1n7t s ASN 36 CO 0.00 0.17 1.79 -0.81 -2.04 0.00 0.00 177.10 176.21 1n7t n PRO 37 N 3.53 1.96 -0.06 3.55 -0.04 -1.26 -4.28 135.00 138.40 1n7t n PRO 37 Ca -0.18 -2.10 -0.13 0.00 -0.04 0.00 0.00 63.50 61.05 1n7t n PRO 37 Cb 0.53 -1.82 -0.04 0.00 -0.04 0.00 0.00 33.50 32.12 1n7t n PRO 37 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1n7t n PHE 38 N -0.40 0.00 -4.32 0.54 3.72 -1.26 -5.07 117.46 110.66 1n7t n PHE 38 Ca 0.41 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.63 1n7t n PHE 38 Cb 1.01 -0.45 -0.10 0.00 -0.94 0.00 0.00 39.48 38.99 1n7t n PHE 38 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1n7t s ARG 39 N -2.27 1.25 -0.16 -1.08 0.52 -1.26 -5.10 118.95 110.85 1n7t s ARG 39 Ca -0.18 -1.49 -0.12 0.00 -0.52 0.00 0.00 55.73 53.41 1n7t s ARG 39 Cb 0.07 -1.08 -0.07 0.00 0.52 0.00 0.00 34.95 34.38 1n7t s ARG 39 CO 0.23 0.19 -0.11 -0.35 0.02 0.00 0.00 175.30 175.29 1n7t n PRO 40 N -0.10 0.48 0.00 3.54 -0.04 -1.26 -4.44 135.00 133.18 1n7t n PRO 40 Ca -0.10 0.52 0.14 0.00 -0.04 0.00 0.00 63.50 64.02 1n7t n PRO 40 Cb 0.59 -1.69 0.66 0.00 -0.04 0.00 0.00 33.50 33.02 1n7t n PRO 40 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1n7t n ASP 41 N -4.56 0.00 -4.48 3.54 2.03 -1.26 -4.69 116.55 107.13 1n7t n ASP 41 Ca -0.14 0.22 -0.40 0.00 0.52 0.00 0.00 54.79 54.99 1n7t n ASP 41 Cb 0.38 -0.40 -0.11 0.00 -0.72 0.00 0.00 41.12 40.27 1n7t n ASP 41 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1n7t s ASP 42 N -2.81 5.90 -0.54 1.67 -1.08 -1.26 -4.96 116.67 113.59 1n7t s ASP 42 Ca 0.20 -0.58 0.01 0.00 -0.52 0.00 0.00 52.55 51.66 1n7t s ASP 42 Cb 0.19 -2.09 0.47 0.00 -1.46 0.00 0.00 42.92 40.03 1n7t s ASP 42 CO 0.48 -0.27 1.79 -0.90 0.52 0.00 0.00 175.17 176.79 1n7t n ASP 43 N 5.07 6.47 -2.12 -0.34 5.68 -1.26 -4.66 116.55 125.39 1n7t n ASP 43 Ca -0.13 -3.77 0.00 0.00 -0.50 0.00 0.00 54.79 50.40 1n7t n ASP 43 Cb 0.49 -0.79 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 1n7t n ASP 43 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n7t n GLY 44 N -0.89 0.46 3.47 6.12 0.00 -1.26 -2.41 105.19 110.67 1n7t n GLY 44 Ca 0.56 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 1n7t n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n7t s ILE 45 N 0.69 3.64 0.11 -0.61 -1.09 -1.26 -1.42 121.20 121.27 1n7t s ILE 45 Ca 0.00 -0.45 0.08 0.00 -2.23 0.00 0.00 60.65 58.05 1n7t s ILE 45 Cb 0.00 -2.57 -0.04 0.00 -1.58 0.00 0.00 42.46 38.27 1n7t s ILE 45 CO 0.00 0.51 -0.19 -0.36 -1.23 0.00 0.00 174.94 173.67 1n7t s PHE 46 N 0.26 1.70 -1.17 3.97 0.40 -0.68 -2.40 117.98 120.06 1n7t s PHE 46 Ca -0.05 -0.44 -0.15 0.00 -0.60 0.00 0.00 56.93 55.70 1n7t s PHE 46 Cb -0.14 -0.92 0.16 0.00 0.51 0.00 0.00 43.02 42.62 1n7t s PHE 46 CO 0.04 0.20 1.40 0.08 0.70 0.00 0.00 175.22 177.64 1n7t s VAL 47 N -1.35 4.93 0.19 -0.44 1.01 -1.24 -2.09 120.40 121.42 1n7t s VAL 47 Ca 0.07 -2.43 -0.22 0.00 0.00 0.00 0.00 61.98 59.40 1n7t s VAL 47 Cb -0.09 -4.91 0.12 0.00 0.00 0.00 0.00 36.38 31.50 1n7t s VAL 47 CO 0.04 -1.63 1.56 0.00 0.00 0.00 0.00 175.10 175.08 1n7t h THR 48 N 4.90 0.07 -2.57 3.92 1.03 -1.91 -3.26 112.91 115.09 1n7t h THR 48 Ca 0.30 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.69 1n7t h THR 48 Cb 0.90 0.07 -0.15 0.00 -1.07 0.00 0.00 68.15 67.90 1n7t h THR 48 CO 1.24 0.00 0.26 0.00 -0.01 0.00 0.00 175.52 177.01 1n7t s ARG 49 N -5.89 1.12 0.04 0.00 1.70 -1.26 -4.75 118.95 109.91 1n7t s ARG 49 Ca -0.14 -0.23 0.03 0.00 -0.47 0.00 0.00 55.73 54.93 1n7t s ARG 49 Cb 0.16 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 35.02 1n7t s ARG 49 CO 0.68 -0.45 -0.02 0.08 -1.08 0.00 0.00 175.30 174.51 1n7t s VAL 50 N -2.87 3.93 0.00 4.99 1.01 -1.26 -2.85 120.40 123.35 1n7t s VAL 50 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1n7t s VAL 50 Cb -0.01 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.58 1n7t s VAL 50 CO -0.06 0.28 0.00 0.00 0.00 0.00 0.00 175.10 175.32 1n7t n GLN 51 N 1.12 0.00 -2.83 2.72 1.13 -1.24 -4.96 117.38 113.32 1n7t n GLN 51 Ca -0.13 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.51 1n7t n GLN 51 Cb 0.52 -0.37 -0.04 0.00 0.11 0.00 0.00 30.24 30.46 1n7t n GLN 51 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1n7t s PRO 52 N -0.87 4.25 -1.46 -1.09 0.04 -1.26 -4.95 135.00 129.67 1n7t s PRO 52 Ca 0.00 1.08 -0.12 0.00 0.04 0.00 0.00 61.00 62.00 1n7t s PRO 52 Cb 0.00 -3.62 -0.04 0.00 0.04 0.00 0.00 34.50 30.88 1n7t s PRO 52 CO 0.00 -0.47 2.55 -0.85 0.04 0.00 0.00 177.00 178.27 1n7t n GLU 53 N 5.77 3.11 0.00 4.56 -0.00 -1.26 -4.22 120.64 128.60 1n7t n GLU 53 Ca 0.07 -2.28 0.00 0.00 -0.00 0.00 0.00 57.16 54.95 1n7t n GLU 53 Cb 0.48 -2.97 0.00 0.00 -0.00 0.00 0.00 31.44 28.95 1n7t n GLU 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1n7t n GLY 54 N 3.85 -0.17 0.43 -1.84 0.00 -1.26 -4.82 105.19 101.39 1n7t n GLY 54 Ca 0.64 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.49 1n7t n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n7t h PRO 55 N 0.00 -1.03 -1.37 1.61 0.13 -1.85 -3.32 132.00 126.18 1n7t h PRO 55 Ca 0.00 0.07 -0.66 0.00 -0.87 0.00 0.00 66.00 64.54 1n7t h PRO 55 Cb 0.00 0.23 -0.34 0.00 0.13 0.00 0.00 31.00 31.02 1n7t h PRO 55 CO 0.00 -0.68 0.23 0.00 -0.23 0.00 0.00 178.00 177.32 1n7t n ALA 56 N -2.68 5.85 -0.05 -0.56 0.00 -1.26 -4.69 120.51 117.11 1n7t n ALA 56 Ca -0.14 -3.93 -0.02 0.00 0.00 0.00 0.00 53.44 49.36 1n7t n ALA 56 Cb 0.43 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.60 1n7t n ALA 56 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1n7t h SER 57 N 2.47 0.00 -0.04 0.00 4.64 -1.81 -3.34 113.55 115.47 1n7t h SER 57 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1n7t h SER 57 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1n7t h SER 57 CO 1.21 0.56 0.00 0.29 -0.87 0.00 0.00 176.83 178.02 1n7t n LYS 58 N -4.45 1.71 -0.04 4.77 4.76 -1.26 -4.48 118.16 119.16 1n7t n LYS 58 Ca -0.03 -1.03 -0.03 0.00 -2.87 0.00 0.00 58.31 54.34 1n7t n LYS 58 Cb 0.11 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 31.82 1n7t n LYS 58 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1n7t n LEU 59 N 0.25 0.88 -4.85 -0.35 4.77 -1.26 -4.98 117.00 111.46 1n7t n LEU 59 Ca 0.18 0.28 -0.38 0.00 -0.03 0.00 0.00 56.01 56.07 1n7t n LEU 59 Cb 0.37 -0.64 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 1n7t n LEU 59 CO 0.16 -0.44 0.01 -0.76 -1.33 0.00 0.00 177.39 175.03 1n7t s LEU 60 N -6.30 4.44 0.15 2.23 1.43 -1.25 -5.04 118.68 114.33 1n7t s LEU 60 Ca -0.10 0.79 0.10 0.00 -1.03 0.00 0.00 54.13 53.89 1n7t s LEU 60 Cb 0.01 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 1n7t s LEU 60 CO 0.16 0.35 -0.24 0.00 0.23 0.00 0.00 176.35 176.84 1n7t s GLN 61 N -1.04 1.37 -0.22 1.70 1.03 -1.26 -4.69 119.66 116.56 1n7t s GLN 61 Ca 0.21 -1.37 -0.33 0.00 0.04 0.00 0.00 55.36 53.90 1n7t s GLN 61 Cb -0.15 -1.74 -0.10 0.00 0.03 0.00 0.00 33.01 31.05 1n7t s GLN 61 CO 0.10 0.40 2.06 -2.30 -2.54 0.00 0.00 175.29 173.01 1n7t n PRO 62 N 0.70 1.70 0.00 9.60 -0.02 -1.26 -2.22 135.00 143.51 1n7t n PRO 62 Ca -0.16 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1n7t n PRO 62 Cb 0.54 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1n7t n PRO 62 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n7t n GLY 63 N 5.47 1.07 2.68 -1.23 0.00 -1.23 -5.05 105.19 106.89 1n7t n GLY 63 Ca 0.31 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.10 1n7t n GLY 63 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n7t n ASP 64 N 0.00 -2.25 -3.71 1.61 8.00 -0.94 -4.85 116.55 114.41 1n7t n ASP 64 Ca 0.00 -0.95 -0.14 0.00 0.71 0.00 0.00 54.79 54.41 1n7t n ASP 64 Cb 0.00 -0.78 -0.14 0.00 -0.02 0.00 0.00 41.12 40.18 1n7t n ASP 64 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1n7t s LYS 65 N -4.87 0.13 -0.30 -1.24 2.20 -1.26 -3.62 119.74 110.79 1n7t s LYS 65 Ca 0.55 0.53 -0.21 0.00 -0.36 0.00 0.00 55.97 56.48 1n7t s LYS 65 Cb -0.06 -0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.10 1n7t s LYS 65 CO 0.43 -0.21 0.65 0.42 -0.36 0.00 0.00 175.35 176.28 1n7t s ILE 66 N 1.62 4.92 -0.09 5.43 1.09 -1.01 -3.35 121.20 129.81 1n7t s ILE 66 Ca -0.05 0.96 0.13 0.00 -1.10 0.00 0.00 60.65 60.58 1n7t s ILE 66 Cb -0.11 -4.01 -0.19 0.00 -1.06 0.00 0.00 42.46 37.09 1n7t s ILE 66 CO -0.07 -0.13 0.14 -0.38 -0.10 0.00 0.00 174.94 174.40 1n7t n ILE 67 N 5.38 0.61 -3.65 2.92 5.41 -0.97 -4.57 119.36 124.49 1n7t n ILE 67 Ca -0.00 -0.49 -0.15 0.00 1.00 0.00 0.00 62.75 63.10 1n7t n ILE 67 Cb 0.49 -0.36 -0.07 0.00 -0.71 0.00 0.00 39.64 38.98 1n7t n ILE 67 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1n7t s GLN 68 N -2.57 0.84 -0.16 0.38 0.74 -1.25 0.21 119.66 117.86 1n7t s GLN 68 Ca -0.06 0.07 -0.06 0.00 0.05 0.00 0.00 55.36 55.35 1n7t s GLN 68 Cb 0.06 0.39 0.07 0.00 1.10 0.00 0.00 33.01 34.63 1n7t s GLN 68 CO 0.57 -0.24 0.34 0.00 -0.55 0.00 0.00 175.29 175.40 1n7t s ALA 69 N -1.18 -0.83 -1.27 1.58 0.00 0.33 -0.83 121.76 119.56 1n7t s ALA 69 Ca -0.12 1.21 -0.10 0.00 0.00 0.00 0.00 51.96 52.95 1n7t s ALA 69 Cb -0.03 -1.12 0.08 0.00 0.00 0.00 0.00 23.12 22.06 1n7t s ALA 69 CO 0.07 -0.64 0.48 0.09 0.00 0.00 0.00 175.76 175.76 1n7t n ASN 70 N 5.23 -3.45 0.00 0.00 3.02 -0.65 0.18 115.26 119.59 1n7t n ASN 70 Ca -0.09 -0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 1n7t n ASN 70 Cb 0.50 -2.87 0.00 0.00 -0.61 0.00 0.00 39.78 36.80 1n7t n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n7t n GLY 71 N -1.14 0.67 3.31 7.41 0.00 -1.26 -5.05 105.19 109.13 1n7t n GLY 71 Ca -0.00 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1n7t n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1n7t s TYR 72 N -2.00 2.95 0.06 1.61 6.14 0.13 -5.09 117.35 121.15 1n7t s TYR 72 Ca 0.00 -0.92 -0.31 0.00 0.64 0.00 0.00 57.07 56.49 1n7t s TYR 72 Cb 0.00 -2.08 -0.06 0.00 0.42 0.00 0.00 41.96 40.24 1n7t s TYR 72 CO 0.00 -0.52 1.31 -1.12 0.64 0.00 0.00 175.55 175.87 1n7t s SER 73 N 1.37 6.93 -0.08 4.32 0.01 -1.26 -0.51 113.70 124.48 1n7t s SER 73 Ca 0.04 2.15 0.16 0.00 1.31 0.00 0.00 55.95 59.61 1n7t s SER 73 Cb -0.14 -2.58 0.54 0.00 0.21 0.00 0.00 66.02 64.05 1n7t s SER 73 CO -0.03 -0.60 1.45 0.49 0.41 0.00 0.00 173.24 174.97 1n7t n PHE 74 N 4.29 0.99 -3.20 2.43 3.01 0.13 -4.94 117.46 120.17 1n7t n PHE 74 Ca 0.11 -0.62 -0.39 0.00 1.01 0.00 0.00 57.45 57.55 1n7t n PHE 74 Cb 0.44 -0.17 -0.06 0.00 -0.01 0.00 0.00 39.48 39.68 1n7t n PHE 74 CO 0.00 0.00 0.00 -1.50 1.01 0.00 0.00 176.76 176.27 1n7t s ILE 75 N -1.70 5.08 -0.55 4.37 1.10 -1.23 -4.42 121.20 123.84 1n7t s ILE 75 Ca 0.40 1.03 -0.04 0.00 -0.51 0.00 0.00 60.65 61.53 1n7t s ILE 75 Cb 0.26 -3.88 0.00 0.00 0.15 0.00 0.00 42.46 38.99 1n7t s ILE 75 CO 0.19 0.16 0.57 0.59 -2.11 0.00 0.00 174.94 174.34 1n7t n ASN 76 N 4.82 -6.92 -3.99 4.50 3.02 -1.26 -5.07 115.26 110.36 1n7t n ASN 76 Ca -0.04 0.08 -0.10 0.00 -0.03 0.00 0.00 54.58 54.50 1n7t n ASN 76 Cb 0.50 -4.65 -0.07 0.00 -0.61 0.00 0.00 39.78 34.95 1n7t n ASN 76 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1n7t s ILE 77 N -2.82 0.06 0.49 2.41 -4.36 -1.26 -5.03 121.20 110.68 1n7t s ILE 77 Ca 0.06 -1.47 -0.15 0.00 -0.26 0.00 0.00 60.65 58.84 1n7t s ILE 77 Cb -0.02 -1.94 -0.07 0.00 1.25 0.00 0.00 42.46 41.68 1n7t s ILE 77 CO 0.64 -0.26 0.92 -1.61 0.24 0.00 0.00 174.94 174.87 1n7t s GLU 78 N -3.99 3.88 0.10 0.37 2.02 -1.26 -1.17 118.70 118.65 1n7t s GLU 78 Ca 0.20 0.80 -0.31 0.00 0.02 0.00 0.00 54.97 55.68 1n7t s GLU 78 Cb 0.03 -2.21 -0.11 0.00 0.10 0.00 0.00 34.13 31.94 1n7t s GLU 78 CO 0.02 -0.21 1.60 1.25 0.02 0.00 0.00 175.26 177.94 1n7t h HIS 79 N 0.97 -1.03 -0.79 1.61 -0.00 -1.80 -2.28 115.15 111.83 1n7t h HIS 79 Ca -0.47 0.02 0.19 0.00 -0.00 0.00 0.00 60.37 60.10 1n7t h HIS 79 Cb 1.19 0.42 -0.05 0.00 -0.00 0.00 0.00 27.41 28.96 1n7t h HIS 79 CO 0.63 -0.50 0.54 0.78 -0.00 0.00 0.00 177.93 179.38 1n7t h GLY 80 N -0.68 0.55 1.18 5.26 0.00 -1.94 0.68 103.07 108.12 1n7t h GLY 80 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 1n7t h GLY 80 CO -0.15 0.02 -0.01 -1.61 0.00 0.00 0.00 176.54 174.79 1n7t h GLN 81 N 0.29 0.98 0.41 4.80 5.75 -1.81 -1.81 115.11 123.72 1n7t h GLN 81 Ca 0.40 -0.30 -0.02 0.00 -0.15 0.00 0.00 58.65 58.58 1n7t h GLN 81 Cb 1.12 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.58 1n7t h GLN 81 CO -0.10 0.97 -0.20 0.00 -2.65 0.00 0.00 178.83 176.84 1n7t h ALA 82 N 1.08 -0.78 -0.14 3.38 0.00 -0.51 -2.46 119.26 119.83 1n7t h ALA 82 Ca 0.16 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1n7t h ALA 82 Cb 0.53 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1n7t h ALA 82 CO 0.03 -0.74 0.27 0.28 0.00 0.00 0.00 179.25 179.08 1n7t h VAL 83 N -0.79 0.22 0.07 0.00 2.07 -1.48 -1.32 116.25 115.03 1n7t h VAL 83 Ca -0.06 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.24 1n7t h VAL 83 Cb 0.42 0.76 0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1n7t h VAL 83 CO 0.09 0.00 -0.93 0.28 0.02 0.00 0.00 177.57 177.03 1n7t h SER 84 N 0.00 0.69 -0.51 0.57 0.02 -1.30 -2.80 113.55 110.21 1n7t h SER 84 Ca 0.06 -0.82 -0.07 0.00 -0.84 0.00 0.00 61.79 60.12 1n7t h SER 84 Cb 0.59 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1n7t h SER 84 CO -0.00 1.44 0.04 -0.07 -1.14 0.00 0.00 176.83 177.10 1n7t h LEU 85 N 0.04 0.85 -0.12 5.07 3.38 -0.76 -2.16 115.31 121.62 1n7t h LEU 85 Ca -0.14 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 1n7t h LEU 85 Cb 1.65 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 42.16 1n7t h LEU 85 CO 0.18 0.93 -0.01 -0.07 0.09 0.00 0.00 178.44 179.55 1n7t h LEU 86 N 0.75 0.21 -0.40 1.67 3.38 -1.56 -2.59 115.31 116.78 1n7t h LEU 86 Ca 0.15 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1n7t h LEU 86 Cb 0.46 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1n7t h LEU 86 CO 0.02 0.50 0.25 0.11 0.09 0.00 0.00 178.44 179.40 1n7t h LYS 87 N -0.07 0.53 0.00 1.13 1.57 -1.50 -2.96 116.57 115.28 1n7t h LYS 87 Ca 0.03 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1n7t h LYS 87 Cb 0.40 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1n7t h LYS 87 CO 0.01 0.39 -0.34 0.00 -0.57 0.00 0.00 179.45 178.94 1n7t h THR 88 N 0.53 1.01 -1.70 -0.16 1.03 -1.42 -3.46 112.91 108.74 1n7t h THR 88 Ca 0.14 -1.27 -0.31 0.00 -0.01 0.00 0.00 66.41 64.97 1n7t h THR 88 Cb -0.01 1.73 0.17 0.00 -1.07 0.00 0.00 68.15 68.96 1n7t h THR 88 CO -0.03 0.33 -0.99 0.49 -0.01 0.00 0.00 175.52 175.31 1n7t n PHE 89 N -3.80 -1.73 -0.11 0.00 3.72 -0.98 -5.04 117.46 109.52 1n7t n PHE 89 Ca -0.01 0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 1n7t n PHE 89 Cb 0.42 -1.43 0.00 0.00 -0.94 0.00 0.00 39.48 37.53 1n7t n PHE 89 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1n7t n GLN 90 N -0.40 3.56 0.00 -1.08 6.02 -1.26 -5.06 117.38 119.16 1n7t n GLN 90 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1n7t n GLN 90 Cb 0.46 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.72 1n7t n GLN 90 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1n7t n ASN 91 N 0.00 0.00 -4.71 1.08 3.02 -1.26 -4.69 115.26 108.70 1n7t n ASN 91 Ca 0.00 0.44 -0.42 0.00 -0.03 0.00 0.00 54.58 54.57 1n7t n ASN 91 Cb 0.00 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.68 1n7t n ASN 91 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1n7t s THR 92 N -0.93 4.74 -0.17 3.41 2.01 -1.26 -0.49 115.64 122.96 1n7t s THR 92 Ca 0.00 1.98 0.01 0.00 0.31 0.00 0.00 61.69 63.98 1n7t s THR 92 Cb 0.00 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.26 1n7t s THR 92 CO 0.00 0.13 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.19 1n7t s VAL 93 N 1.18 1.88 -0.48 3.82 1.01 0.26 -4.94 120.40 123.13 1n7t s VAL 93 Ca 0.52 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 1n7t s VAL 93 Cb -0.22 -1.72 0.07 0.00 0.00 0.00 0.00 36.38 34.51 1n7t s VAL 93 CO 0.27 0.51 0.47 -1.61 0.00 0.00 0.00 175.10 174.74 1n7t s GLU 94 N 1.35 3.03 0.32 2.72 2.02 -1.26 -0.67 118.70 126.22 1n7t s GLU 94 Ca 0.05 -1.19 0.07 0.00 0.02 0.00 0.00 54.97 53.92 1n7t s GLU 94 Cb -0.13 -4.12 -0.03 0.00 0.10 0.00 0.00 34.13 29.96 1n7t s GLU 94 CO -0.12 -1.08 0.30 -0.51 0.02 0.00 0.00 175.26 173.87 1n7t s LEU 95 N 1.97 3.68 -0.08 1.80 1.02 0.23 -1.64 118.68 125.66 1n7t s LEU 95 Ca 0.08 -0.42 0.05 0.00 0.02 0.00 0.00 54.13 53.86 1n7t s LEU 95 Cb -0.22 -2.31 -0.00 0.00 0.02 0.00 0.00 46.19 43.68 1n7t s LEU 95 CO 0.08 -0.32 -0.24 -0.63 0.02 0.00 0.00 176.35 175.27 1n7t s ILE 96 N -2.26 2.01 0.29 -0.59 1.09 -0.01 0.38 121.20 122.10 1n7t s ILE 96 Ca 0.40 -1.01 0.05 0.00 -1.10 0.00 0.00 60.65 59.00 1n7t s ILE 96 Cb -0.07 -1.72 -0.06 0.00 -1.06 0.00 0.00 42.46 39.55 1n7t s ILE 96 CO 0.27 0.55 -0.02 0.27 -0.10 0.00 0.00 174.94 175.91 1n7t s ILE 97 N 0.19 1.46 -0.02 2.92 -4.36 -0.21 -2.28 121.20 118.89 1n7t s ILE 97 Ca -0.14 -2.07 -0.04 0.00 -0.26 0.00 0.00 60.65 58.14 1n7t s ILE 97 Cb -0.16 -2.55 0.00 0.00 1.25 0.00 0.00 42.46 41.00 1n7t s ILE 97 CO 0.07 -0.21 0.10 -0.69 0.24 0.00 0.00 174.94 174.44 1n7t s VAL 98 N -3.13 0.04 -0.39 8.37 1.01 -1.21 -2.24 120.40 122.85 1n7t s VAL 98 Ca 0.31 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 1n7t s VAL 98 Cb 0.06 -0.24 0.08 0.00 0.00 0.00 0.00 36.38 36.27 1n7t s VAL 98 CO 0.13 -0.16 0.18 -0.60 0.00 0.00 0.00 175.10 174.65 1n7t s ARG 99 N -0.50 2.42 -0.01 2.72 6.06 -1.24 -4.01 118.95 124.38 1n7t s ARG 99 Ca -0.06 -1.49 -0.30 0.00 -2.50 0.00 0.00 55.73 51.38 1n7t s ARG 99 Cb -0.04 -3.59 -0.09 0.00 0.06 0.00 0.00 34.95 31.29 1n7t s ARG 99 CO 0.00 -0.89 1.99 0.39 -2.50 0.00 0.00 175.30 174.29 1n7t n GLU 100 N 4.77 2.68 -3.40 5.12 -0.58 -1.26 -4.34 120.64 123.64 1n7t n GLU 100 Ca -0.09 0.97 -0.42 0.00 -0.42 0.00 0.00 57.16 57.20 1n7t n GLU 100 Cb 0.43 -2.98 -0.09 0.00 -0.57 0.00 0.00 31.44 28.22 1n7t n GLU 100 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1n7t s VAL 101 N 4.80 5.17 -1.08 2.62 1.01 -1.26 -5.01 120.40 126.64 1n7t s VAL 101 Ca 0.91 -0.28 -0.14 0.00 0.00 0.00 0.00 61.98 62.47 1n7t s VAL 101 Cb -0.46 -3.92 0.19 0.00 0.00 0.00 0.00 36.38 32.19 1n7t s VAL 101 CO 0.43 -0.26 1.22 -0.94 0.00 0.00 0.00 175.10 175.55 1n7t s SER 102 N 1.75 6.99 0.00 3.32 1.04 -1.26 -4.92 113.70 120.62 1n7t s SER 102 Ca 0.10 -2.88 0.02 0.00 0.48 0.00 0.00 55.95 53.68 1n7t s SER 102 Cb -0.17 -2.34 0.02 0.00 0.10 0.00 0.00 66.02 63.63 1n7t s SER 102 CO 0.12 -0.70 0.57 -1.54 0.98 0.00 0.00 173.24 172.67