#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 0.15 -4.78 1.61 3.41 -1.26 -5.12 113.62 107.63 1n7t n SER 2 Ca 0.00 -2.04 -0.38 0.00 -0.26 0.00 0.00 58.87 56.20 1n7t n SER 2 Cb 0.00 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 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 -0.68 3.78 -0.22 7.33 4.02 -1.26 -5.05 115.29 123.20 1n7t s HIS 3 Ca 0.19 1.69 -0.04 0.00 1.02 0.00 0.00 55.06 57.92 1n7t s HIS 3 Cb 0.27 -2.84 0.09 0.00 -1.02 0.00 0.00 32.58 29.08 1n7t s HIS 3 CO -0.09 0.35 0.14 1.41 1.02 0.00 0.00 174.74 177.57 1n7t s MET 4 N -1.69 0.15 0.62 1.40 1.75 -1.26 -5.13 119.30 115.15 1n7t s MET 4 Ca 0.44 -0.18 -0.09 0.00 -1.25 0.00 0.00 55.69 54.61 1n7t s MET 4 Cb -0.20 -1.40 0.14 0.00 2.84 0.00 0.00 34.83 36.20 1n7t s MET 4 CO 0.25 -0.81 0.85 0.41 -0.65 0.00 0.00 175.02 175.07 1n7t n GLY 5 N 5.28 -0.95 0.12 2.11 0.00 -1.26 -5.02 105.19 105.47 1n7t n GLY 5 Ca -0.06 -1.76 -0.17 0.00 0.00 0.00 0.00 46.02 44.02 1n7t n GLY 5 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1n7t h HIS 6 N -1.31 0.43 -2.25 1.61 3.86 -2.04 -3.47 115.15 111.97 1n7t h HIS 6 Ca -0.27 -0.31 -0.17 0.00 -1.16 0.00 0.00 60.37 58.45 1n7t h HIS 6 Cb 0.80 -0.02 0.09 0.00 1.06 0.00 0.00 27.41 29.34 1n7t h HIS 6 CO 0.00 1.45 0.04 -1.91 0.86 0.00 0.00 177.93 178.37 1n7t n GLU 7 N -3.42 -2.08 -0.98 2.45 2.13 -1.26 -4.99 120.64 112.49 1n7t n GLU 7 Ca -0.21 -0.74 -0.31 0.00 0.66 0.00 0.00 57.16 56.55 1n7t n GLU 7 Cb 1.05 -0.72 0.13 0.00 0.27 0.00 0.00 31.44 32.17 1n7t n GLU 7 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1n7t s LEU 8 N 0.00 2.97 0.06 4.31 2.96 -1.26 -4.93 118.68 122.79 1n7t s LEU 8 Ca 0.31 2.10 -0.31 0.00 -0.22 0.00 0.00 54.13 56.00 1n7t s LEU 8 Cb -0.03 -4.56 -0.07 0.00 0.50 0.00 0.00 46.19 42.03 1n7t s LEU 8 CO 0.24 -2.64 1.42 0.00 -1.32 0.00 0.00 176.35 174.05 1n7t s ALA 9 N -2.64 3.60 -0.30 5.97 0.00 -1.26 -4.97 121.76 122.16 1n7t s ALA 9 Ca 0.66 1.02 -0.17 0.00 0.00 0.00 0.00 51.96 53.48 1n7t s ALA 9 Cb -0.22 -3.58 0.18 0.00 0.00 0.00 0.00 23.12 19.51 1n7t s ALA 9 CO 0.55 -0.80 1.15 0.21 0.00 0.00 0.00 175.76 176.87 1n7t s LYS 10 N 1.85 0.17 -0.88 0.00 2.47 -1.26 -4.70 119.74 117.40 1n7t s LYS 10 Ca 0.65 0.34 -0.20 0.00 -1.56 0.00 0.00 55.97 55.21 1n7t s LYS 10 Cb -0.35 0.12 0.11 0.00 -1.46 0.00 0.00 37.83 36.26 1n7t s LYS 10 CO 0.29 -0.04 1.11 -0.65 0.16 0.00 0.00 175.35 176.21 1n7t s GLN 11 N 1.65 3.49 -0.23 4.03 1.11 -1.25 -4.99 119.66 123.47 1n7t s GLN 11 Ca -0.05 -1.53 -0.14 0.00 0.01 0.00 0.00 55.36 53.65 1n7t s GLN 11 Cb -0.03 -4.80 -0.04 0.00 -1.01 0.00 0.00 33.01 27.13 1n7t s GLN 11 CO -0.14 -1.81 0.33 -2.00 0.01 0.00 0.00 175.29 171.68 1n7t s GLU 12 N 3.11 4.11 0.19 2.91 2.12 -1.26 -2.78 118.70 127.09 1n7t s GLU 12 Ca 0.31 0.04 -0.13 0.00 0.36 0.00 0.00 54.97 55.55 1n7t s GLU 12 Cb -0.07 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 30.75 1n7t s GLU 12 CO -0.05 -0.08 0.40 0.96 -0.54 0.00 0.00 175.26 175.95 1n7t s ILE 13 N 1.45 0.04 0.25 -3.70 -0.00 -1.04 -5.05 121.20 113.14 1n7t s ILE 13 Ca 0.15 -1.18 0.10 0.00 -0.00 0.00 0.00 60.65 59.72 1n7t s ILE 13 Cb -0.15 -1.81 -0.04 0.00 -0.00 0.00 0.00 42.46 40.46 1n7t s ILE 13 CO 0.08 -0.18 -0.09 -0.13 -0.00 0.00 0.00 174.94 174.62 1n7t s ARG 14 N -3.94 2.05 -0.02 0.37 0.52 -1.26 -1.46 118.95 115.20 1n7t s ARG 14 Ca 0.15 -1.48 -0.06 0.00 -0.52 0.00 0.00 55.73 53.82 1n7t s ARG 14 Cb 0.01 -2.04 0.01 0.00 0.52 0.00 0.00 34.95 33.44 1n7t s ARG 14 CO 0.01 0.37 0.13 0.14 0.02 0.00 0.00 175.30 175.97 1n7t s VAL 15 N -2.21 0.05 -0.30 3.52 -7.23 0.29 -4.97 120.40 109.54 1n7t s VAL 15 Ca 0.29 -0.40 -0.07 0.00 -1.81 0.00 0.00 61.98 59.99 1n7t s VAL 15 Cb -0.07 -0.33 0.01 0.00 0.56 0.00 0.00 36.38 36.56 1n7t s VAL 15 CO 0.17 -0.22 0.09 -0.60 -0.31 0.00 0.00 175.10 174.24 1n7t s ARG 16 N -0.74 3.05 -0.24 4.82 6.06 -1.26 -1.14 118.95 129.50 1n7t s ARG 16 Ca -0.08 -0.89 -0.05 0.00 -2.50 0.00 0.00 55.73 52.21 1n7t s ARG 16 Cb -0.05 -3.41 -0.01 0.00 0.06 0.00 0.00 34.95 31.55 1n7t s ARG 16 CO 0.01 -0.47 -0.01 0.08 -2.50 0.00 0.00 175.30 172.41 1n7t s VAL 17 N 1.50 3.59 -0.21 7.11 1.01 -0.01 -4.92 120.40 128.47 1n7t s VAL 17 Ca 0.02 -0.49 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 1n7t s VAL 17 Cb -0.17 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 1n7t s VAL 17 CO 0.03 0.35 0.14 -1.61 0.00 0.00 0.00 175.10 174.01 1n7t s GLU 18 N 1.50 4.15 -0.16 2.72 8.01 -1.26 0.03 118.70 133.68 1n7t s GLU 18 Ca 0.05 -0.24 -0.26 0.00 0.01 0.00 0.00 54.97 54.54 1n7t s GLU 18 Cb -0.15 -3.45 -0.01 0.00 -4.31 0.00 0.00 34.13 26.21 1n7t s GLU 18 CO -0.01 0.23 0.85 0.15 0.01 0.00 0.00 175.26 176.48 1n7t s LYS 19 N 0.56 4.31 -0.36 1.61 1.02 0.13 -4.74 119.74 122.27 1n7t s LYS 19 Ca 0.08 1.05 -0.05 0.00 0.02 0.00 0.00 55.97 57.06 1n7t s LYS 19 Cb -0.12 -3.57 0.20 0.00 -0.52 0.00 0.00 37.83 33.82 1n7t s LYS 19 CO -0.00 -0.33 0.99 0.34 -0.92 0.00 0.00 175.35 175.43 1n7t s ASP 20 N 1.15 -0.54 0.38 2.83 -1.08 -1.26 -4.68 116.67 113.47 1n7t s ASP 20 Ca 0.39 -0.43 0.23 0.00 -0.52 0.00 0.00 52.55 52.22 1n7t s ASP 20 Cb -0.17 0.69 0.25 0.00 -1.46 0.00 0.00 42.92 42.24 1n7t s ASP 20 CO 0.13 -0.04 1.46 1.55 0.52 0.00 0.00 175.17 178.79 1n7t h PRO 21 N 5.13 0.00 0.00 4.34 0.14 -2.04 -3.49 132.00 136.08 1n7t h PRO 21 Ca -0.01 0.00 -0.44 0.00 0.14 0.00 0.00 66.00 65.69 1n7t h PRO 21 Cb 1.19 0.00 -0.11 0.00 0.14 0.00 0.00 31.00 32.23 1n7t h PRO 21 CO -0.06 0.02 -0.40 0.39 0.14 0.00 0.00 178.00 178.08 1n7t n GLU 22 N -3.00 0.45 0.08 0.86 -0.58 -1.26 -5.07 120.64 112.12 1n7t n GLU 22 Ca 0.03 -2.92 -0.13 0.00 -0.42 0.00 0.00 57.16 53.72 1n7t n GLU 22 Cb 0.54 2.08 -0.08 0.00 -0.57 0.00 0.00 31.44 33.41 1n7t n GLU 22 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1n7t h LEU 23 N 0.00 -0.18 0.00 -4.62 4.07 -1.94 -3.40 115.31 109.24 1n7t h LEU 23 Ca -0.23 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.46 1n7t h LEU 23 Cb 1.04 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1n7t h LEU 23 CO 0.35 0.19 0.00 0.61 -1.08 0.00 0.00 178.44 178.51 1n7t n GLY 24 N -0.19 1.75 3.74 0.83 0.00 -1.26 -3.75 105.19 106.31 1n7t n GLY 24 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 0.08 0.18 1.61 -0.12 -1.26 -3.11 117.98 113.37 1n7t s PHE 25 Ca 0.00 -0.52 0.11 0.00 -0.05 0.00 0.00 56.93 56.47 1n7t s PHE 25 Cb 0.00 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 1n7t s PHE 25 CO 0.00 -1.18 -0.24 -1.54 -0.05 0.00 0.00 175.22 172.21 1n7t s SER 26 N -2.98 3.44 0.11 1.98 1.04 -1.18 -5.05 113.70 111.06 1n7t s SER 26 Ca 0.16 -0.84 0.10 0.00 0.48 0.00 0.00 55.95 55.85 1n7t s SER 26 Cb -0.04 -0.26 -0.04 0.00 0.10 0.00 0.00 66.02 65.78 1n7t s SER 26 CO 0.09 0.13 -0.26 0.27 0.98 0.00 0.00 173.24 174.44 1n7t s ILE 27 N -1.59 2.19 0.05 -1.02 -4.36 -1.26 -3.37 121.20 111.83 1n7t s ILE 27 Ca 0.20 -1.65 -0.02 0.00 -0.26 0.00 0.00 60.65 58.93 1n7t s ILE 27 Cb -0.08 -1.92 -0.03 0.00 1.25 0.00 0.00 42.46 41.67 1n7t s ILE 27 CO 0.09 0.15 -0.01 -0.94 0.24 0.00 0.00 174.94 174.48 1n7t s SER 28 N -1.83 0.42 0.00 4.36 1.04 -0.49 -4.94 113.70 112.25 1n7t s SER 28 Ca 0.13 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1n7t s SER 28 Cb -0.10 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1n7t s SER 28 CO 0.05 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1n7t n GLY 29 N 0.35 0.21 0.00 7.32 0.00 -1.24 -1.60 105.19 110.23 1n7t n GLY 29 Ca -0.16 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 2.15 3.55 -0.02 0.00 0.15 -4.30 105.19 106.72 1n7t n GLY 30 Ca 0.00 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.19 3.73 0.00 1.61 1.01 0.10 -3.12 120.40 121.54 1n7t s VAL 31 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1n7t s VAL 31 Cb 0.00 -4.91 0.00 0.00 0.00 0.00 0.00 36.38 31.47 1n7t s VAL 31 CO 0.00 -1.85 0.00 0.61 0.00 0.00 0.00 175.10 173.86 1n7t n GLY 32 N 5.49 0.38 0.00 4.51 0.00 -1.26 -4.32 105.19 109.99 1n7t n GLY 32 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.57 -0.43 0.99 -0.02 0.00 -1.18 -4.88 105.19 98.10 1n7t n GLY 33 Ca 0.00 -1.30 0.04 0.00 0.00 0.00 0.00 46.02 44.75 1n7t n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n7t n ARG 34 N 0.00 2.51 -1.19 1.61 1.74 -1.26 -5.03 116.66 115.04 1n7t n ARG 34 Ca 0.00 -1.40 0.15 0.00 -0.77 0.00 0.00 57.85 55.84 1n7t n ARG 34 Cb 0.00 -1.68 -0.06 0.00 -1.02 0.00 0.00 32.46 29.71 1n7t n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n7t n GLY 35 N 0.52 -2.48 2.92 -0.13 0.00 -1.26 -4.92 105.19 99.84 1n7t n GLY 35 Ca 0.12 -1.17 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 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 -6.81 0.13 -0.24 1.61 2.20 -1.26 -3.73 114.94 106.84 1n7t s ASN 36 Ca 0.00 -0.19 0.04 0.00 -0.94 0.00 0.00 52.86 51.77 1n7t s ASN 36 Cb 0.00 0.03 0.44 0.00 -2.00 0.00 0.00 41.25 39.72 1n7t s ASN 36 CO 0.00 -0.11 1.49 -0.81 -2.94 0.00 0.00 177.10 174.73 1n7t n PRO 37 N 2.51 2.22 -0.11 3.55 -0.04 -1.26 -4.26 135.00 137.61 1n7t n PRO 37 Ca -0.17 -1.88 -0.22 0.00 -0.04 0.00 0.00 63.50 61.19 1n7t n PRO 37 Cb 0.58 -1.80 -0.07 0.00 -0.04 0.00 0.00 33.50 32.17 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 -0.27 0.00 -5.26 0.54 3.01 -1.26 -5.00 117.46 109.21 1n7t n PHE 38 Ca 0.32 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.47 1n7t n PHE 38 Cb 1.12 -0.77 -0.16 0.00 -0.01 0.00 0.00 39.48 39.66 1n7t n PHE 38 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1n7t s ARG 39 N -2.47 2.32 -0.12 -1.08 0.52 -1.26 -5.06 118.95 111.81 1n7t s ARG 39 Ca -0.31 -0.90 -0.19 0.00 -0.52 0.00 0.00 55.73 53.81 1n7t s ARG 39 Cb 0.11 -2.08 -0.26 0.00 0.52 0.00 0.00 34.95 33.24 1n7t s ARG 39 CO 0.40 0.45 0.56 -1.00 0.02 0.00 0.00 175.30 175.73 1n7t h PRO 40 N 5.83 0.17 0.00 3.54 0.13 -1.95 -3.38 132.00 136.34 1n7t h PRO 40 Ca -0.36 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1n7t h PRO 40 Cb 1.15 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1n7t h PRO 40 CO 0.47 1.14 -0.63 -3.47 -0.23 0.00 0.00 178.00 175.29 1n7t n ASP 41 N -4.12 0.60 -4.47 1.44 2.03 -1.26 -4.82 116.55 105.95 1n7t n ASP 41 Ca -0.23 -0.05 -0.36 0.00 0.52 0.00 0.00 54.79 54.67 1n7t n ASP 41 Cb 0.80 0.27 -0.12 0.00 -0.72 0.00 0.00 41.12 41.34 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 -3.72 5.08 -0.44 1.67 -1.08 -1.26 -4.98 116.67 111.93 1n7t s ASP 42 Ca 0.08 -0.17 0.04 0.00 -0.52 0.00 0.00 52.55 51.97 1n7t s ASP 42 Cb 0.15 -1.89 0.50 0.00 -1.46 0.00 0.00 42.92 40.22 1n7t s ASP 42 CO 0.72 0.02 1.65 -0.90 0.52 0.00 0.00 175.17 177.18 1n7t n ASP 43 N 4.54 5.06 -3.04 -0.34 5.68 -1.26 -4.59 116.55 122.61 1n7t n ASP 43 Ca -0.17 -3.76 0.00 0.00 -0.50 0.00 0.00 54.79 50.36 1n7t n ASP 43 Cb 0.52 -0.70 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 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 -0.95 -0.52 3.50 6.12 0.00 -1.26 -0.67 105.19 111.40 1n7t n GLY 44 Ca 0.50 -1.58 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 3.72 0.07 -0.61 -1.09 -1.26 -1.02 121.20 121.01 1n7t s ILE 45 Ca 0.00 -0.43 0.05 0.00 -2.23 0.00 0.00 60.65 58.04 1n7t s ILE 45 Cb 0.00 -2.60 -0.03 0.00 -1.58 0.00 0.00 42.46 38.25 1n7t s ILE 45 CO 0.00 0.52 -0.13 -0.36 -1.23 0.00 0.00 174.94 173.74 1n7t s PHE 46 N 0.11 1.14 -1.18 3.97 0.40 -0.63 -2.12 117.98 119.67 1n7t s PHE 46 Ca -0.02 -0.47 -0.10 0.00 -0.60 0.00 0.00 56.93 55.75 1n7t s PHE 46 Cb -0.14 -0.65 0.22 0.00 0.51 0.00 0.00 43.02 42.97 1n7t s PHE 46 CO 0.03 0.04 1.48 0.28 0.70 0.00 0.00 175.22 177.75 1n7t n VAL 47 N 1.28 4.57 -0.26 -0.44 0.31 -1.24 -1.40 118.33 121.15 1n7t n VAL 47 Ca -0.21 -5.05 0.01 0.00 -0.01 0.00 0.00 64.34 59.08 1n7t n VAL 47 Cb 0.54 -2.39 0.05 0.00 -0.91 0.00 0.00 33.84 31.13 1n7t n VAL 47 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1n7t n THR 48 N 3.18 -0.35 -3.88 2.52 5.66 -1.22 -2.97 114.28 117.23 1n7t n THR 48 Ca 0.32 1.62 -0.08 0.00 -3.05 0.00 0.00 64.05 62.86 1n7t n THR 48 Cb 0.38 -2.16 -0.01 0.00 -1.55 0.00 0.00 70.33 66.99 1n7t n THR 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1n7t s ARG 49 N -5.72 1.92 0.05 1.09 1.70 -1.26 -4.36 118.95 112.37 1n7t s ARG 49 Ca -0.10 -1.23 0.03 0.00 -0.47 0.00 0.00 55.73 53.97 1n7t s ARG 49 Cb 0.15 0.59 -0.03 0.00 -0.57 0.00 0.00 34.95 35.09 1n7t s ARG 49 CO 0.51 -0.87 -0.10 0.08 -1.08 0.00 0.00 175.30 173.83 1n7t s VAL 50 N -3.33 0.78 -0.02 4.99 1.01 -1.26 -3.10 120.40 119.46 1n7t s VAL 50 Ca 0.15 -1.17 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 1n7t s VAL 50 Cb -0.05 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 1n7t s VAL 50 CO 0.10 -0.32 -0.05 0.00 0.00 0.00 0.00 175.10 174.82 1n7t n GLN 51 N 1.39 0.08 -2.62 2.72 6.02 -1.18 -4.97 117.38 118.82 1n7t n GLN 51 Ca -0.22 0.03 -0.43 0.00 -0.01 0.00 0.00 57.00 56.37 1n7t n GLN 51 Cb 0.54 -0.55 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 1n7t n GLN 51 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1n7t s PRO 52 N -1.35 4.28 -1.37 -1.09 0.04 -1.26 -4.94 135.00 129.32 1n7t s PRO 52 Ca -0.05 1.43 -0.15 0.00 0.04 0.00 0.00 61.00 62.27 1n7t s PRO 52 Cb 0.01 -3.64 0.01 0.00 0.04 0.00 0.00 34.50 30.91 1n7t s PRO 52 CO 0.07 -0.59 2.21 0.39 0.04 0.00 0.00 177.00 179.13 1n7t n GLU 53 N 6.11 2.69 0.03 4.56 4.71 -1.26 -4.16 120.64 133.32 1n7t n GLU 53 Ca 0.12 -2.47 0.00 0.00 -0.01 0.00 0.00 57.16 54.80 1n7t n GLU 53 Cb 0.46 -3.21 0.00 0.00 -1.01 0.00 0.00 31.44 27.68 1n7t n GLU 53 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1n7t n GLY 54 N 4.14 -1.70 0.00 0.62 0.00 -1.26 -4.90 105.19 102.09 1n7t n GLY 54 Ca 0.53 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.95 1n7t n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n7t n PRO 55 N -2.60 0.00 -2.02 1.61 -0.04 -1.26 -4.16 135.00 126.53 1n7t n PRO 55 Ca 0.00 0.23 -0.34 0.00 -0.04 0.00 0.00 63.50 63.35 1n7t n PRO 55 Cb 0.00 -1.20 0.03 0.00 -0.04 0.00 0.00 33.50 32.29 1n7t n PRO 55 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n7t n ALA 56 N -1.19 5.90 -0.01 0.55 0.00 -1.25 -4.57 120.51 119.95 1n7t n ALA 56 Ca 0.00 -4.06 -0.02 0.00 0.00 0.00 0.00 53.44 49.36 1n7t n ALA 56 Cb 0.00 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.09 1n7t n ALA 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1n7t n SER 57 N -0.59 0.86 0.19 0.00 2.88 -1.26 -3.99 113.62 111.71 1n7t n SER 57 Ca 0.50 0.13 0.14 0.00 -1.33 0.00 0.00 58.87 58.30 1n7t n SER 57 Cb 0.50 -0.39 0.67 0.00 -0.75 0.00 0.00 64.21 64.24 1n7t n SER 57 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1n7t h LYS 58 N -0.26 0.00 0.00 -1.46 3.64 -1.82 -3.20 116.57 113.47 1n7t h LYS 58 Ca 0.00 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 1n7t h LYS 58 Cb 0.26 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1n7t h LYS 58 CO 0.00 0.00 -1.77 1.28 -2.27 0.00 0.00 179.45 176.69 1n7t n LEU 59 N -2.47 1.92 -4.83 5.20 4.77 -1.26 -4.99 117.00 115.34 1n7t n LEU 59 Ca -0.00 0.39 -0.30 0.00 -0.03 0.00 0.00 56.01 56.07 1n7t n LEU 59 Cb 0.13 -0.85 -0.05 0.00 -2.33 0.00 0.00 43.42 40.32 1n7t n LEU 59 CO 0.16 0.26 -0.22 -0.76 -1.33 0.00 0.00 177.39 175.50 1n7t s LEU 60 N -7.74 3.98 0.09 2.23 1.43 -1.21 -5.03 118.68 112.43 1n7t s LEU 60 Ca -0.32 0.05 0.07 0.00 -1.03 0.00 0.00 54.13 52.90 1n7t s LEU 60 Cb 0.10 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 1n7t s LEU 60 CO 0.48 0.15 -0.19 0.00 0.23 0.00 0.00 176.35 177.02 1n7t s GLN 61 N -2.59 1.07 0.20 1.70 1.03 -1.26 -4.35 119.66 115.45 1n7t s GLN 61 Ca 0.31 -1.08 -0.33 0.00 0.04 0.00 0.00 55.36 54.30 1n7t s GLN 61 Cb -0.12 -1.26 -0.13 0.00 0.03 0.00 0.00 33.01 31.54 1n7t s GLN 61 CO 0.24 0.29 1.68 -2.30 -2.54 0.00 0.00 175.29 172.67 1n7t n PRO 62 N 1.22 2.60 -0.08 9.60 -0.02 -1.26 -2.86 135.00 144.20 1n7t n PRO 62 Ca -0.20 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1n7t n PRO 62 Cb 0.54 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 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 3.81 0.94 1.73 -1.23 0.00 -1.16 -5.01 105.19 104.27 1n7t n GLY 63 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 1n7t n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n7t n ASP 64 N 0.00 -0.29 -3.73 1.61 5.68 -1.14 -4.87 116.55 113.82 1n7t n ASP 64 Ca 0.00 -1.13 -0.18 0.00 -0.50 0.00 0.00 54.79 52.98 1n7t n ASP 64 Cb 0.00 -0.46 -0.17 0.00 -1.14 0.00 0.00 41.12 39.34 1n7t n ASP 64 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1n7t s LYS 65 N -4.29 0.06 -0.35 0.11 2.20 -1.26 -3.73 119.74 112.48 1n7t s LYS 65 Ca 0.34 0.25 -0.22 0.00 -0.36 0.00 0.00 55.97 55.98 1n7t s LYS 65 Cb -0.01 -0.48 0.00 0.00 -1.51 0.00 0.00 37.83 35.83 1n7t s LYS 65 CO 0.24 -0.25 0.72 0.42 -0.36 0.00 0.00 175.35 176.12 1n7t s ILE 66 N 1.67 4.82 -0.14 5.43 1.01 -0.90 -3.46 121.20 129.62 1n7t s ILE 66 Ca -0.01 0.83 -0.11 0.00 0.00 0.00 0.00 60.65 61.35 1n7t s ILE 66 Cb -0.13 -4.13 -0.25 0.00 0.01 0.00 0.00 42.46 37.96 1n7t s ILE 66 CO -0.03 -0.33 0.35 0.40 0.00 0.00 0.00 174.94 175.32 1n7t h ILE 67 N 5.68 0.73 -2.93 2.92 1.08 -1.11 -3.43 117.51 120.45 1n7t h ILE 67 Ca -0.25 -2.31 -0.12 0.00 -0.39 0.00 0.00 64.86 61.79 1n7t h ILE 67 Cb 1.10 2.45 -0.22 0.00 -3.07 0.00 0.00 36.82 37.08 1n7t h ILE 67 CO 0.87 0.74 -0.27 -1.10 -0.69 0.00 0.00 178.15 177.70 1n7t s GLN 68 N -2.50 0.59 -0.10 2.37 -0.21 -1.25 -2.89 119.66 115.66 1n7t s GLN 68 Ca -0.24 0.08 -0.00 0.00 0.02 0.00 0.00 55.36 55.22 1n7t s GLN 68 Cb 0.06 0.27 0.02 0.00 1.00 0.00 0.00 33.01 34.37 1n7t s GLN 68 CO 0.73 -0.14 -0.06 0.00 -2.12 0.00 0.00 175.29 173.70 1n7t s ALA 69 N -0.77 1.15 -1.10 6.09 0.00 -0.62 -1.55 121.76 124.97 1n7t s ALA 69 Ca -0.09 -0.42 -0.12 0.00 0.00 0.00 0.00 51.96 51.33 1n7t s ALA 69 Cb -0.04 -0.84 0.11 0.00 0.00 0.00 0.00 23.12 22.36 1n7t s ALA 69 CO 0.03 -0.38 0.37 0.09 0.00 0.00 0.00 175.76 175.87 1n7t n ASN 70 N 4.90 -2.11 0.00 0.00 4.13 -0.49 0.93 115.26 122.61 1n7t n ASN 70 Ca -0.12 -0.43 0.00 0.00 1.68 0.00 0.00 54.58 55.70 1n7t n ASN 70 Cb 0.50 -1.83 0.00 0.00 -1.54 0.00 0.00 39.78 36.91 1n7t n ASN 70 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1n7t n GLY 71 N -0.91 1.80 3.68 7.41 0.00 -1.26 -5.03 105.19 110.87 1n7t n GLY 71 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1n7t n GLY 71 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n7t s TYR 72 N -2.35 3.44 -0.20 1.61 2.02 0.26 -5.01 117.35 117.11 1n7t s TYR 72 Ca 0.00 1.04 -0.29 0.00 -0.37 0.00 0.00 57.07 57.45 1n7t s TYR 72 Cb 0.00 -2.81 -0.03 0.00 -0.40 0.00 0.00 41.96 38.72 1n7t s TYR 72 CO 0.00 -0.10 1.60 -1.54 -1.57 0.00 0.00 175.55 173.95 1n7t s SER 73 N 1.06 6.43 0.00 2.29 1.04 -1.26 -1.59 113.70 121.66 1n7t s SER 73 Ca 0.32 1.67 0.18 0.00 0.48 0.00 0.00 55.95 58.60 1n7t s SER 73 Cb -0.16 -2.53 0.51 0.00 0.10 0.00 0.00 66.02 63.94 1n7t s SER 73 CO 0.12 -1.21 1.43 0.49 0.98 0.00 0.00 173.24 175.05 1n7t n PHE 74 N 8.26 0.70 -3.16 5.02 3.01 -1.14 -4.91 117.46 125.24 1n7t n PHE 74 Ca 0.18 -0.35 -0.39 0.00 1.01 0.00 0.00 57.45 57.90 1n7t n PHE 74 Cb 0.45 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.86 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 -1.30 5.08 -0.68 4.37 1.10 -1.25 -4.38 121.20 124.14 1n7t s ILE 75 Ca 0.38 1.18 -0.01 0.00 -0.51 0.00 0.00 60.65 61.68 1n7t s ILE 75 Cb 0.20 -3.93 0.00 0.00 0.15 0.00 0.00 42.46 38.88 1n7t s ILE 75 CO 0.26 0.21 0.65 0.59 -2.11 0.00 0.00 174.94 174.54 1n7t n ASN 76 N 4.35 -7.51 -4.07 4.50 3.02 -1.26 -5.06 115.26 109.24 1n7t n ASN 76 Ca -0.03 -0.02 -0.10 0.00 -0.03 0.00 0.00 54.58 54.40 1n7t n ASN 76 Cb 0.51 -5.09 -0.08 0.00 -0.61 0.00 0.00 39.78 34.51 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 -2.96 0.02 0.35 2.41 -4.36 -1.26 -4.97 121.20 110.43 1n7t s ILE 77 Ca 0.02 -1.66 -0.20 0.00 -0.26 0.00 0.00 60.65 58.55 1n7t s ILE 77 Cb -0.01 -2.21 -0.10 0.00 1.25 0.00 0.00 42.46 41.40 1n7t s ILE 77 CO 0.71 -0.11 0.86 -1.61 0.24 0.00 0.00 174.94 175.03 1n7t s GLU 78 N -4.06 4.24 0.15 0.37 2.02 -1.26 0.01 118.70 120.16 1n7t s GLU 78 Ca 0.27 1.00 -0.22 0.00 0.02 0.00 0.00 54.97 56.04 1n7t s GLU 78 Cb 0.04 -2.47 0.03 0.00 0.10 0.00 0.00 34.13 31.82 1n7t s GLU 78 CO 0.07 0.14 1.64 1.25 0.02 0.00 0.00 175.26 178.39 1n7t h HIS 79 N 2.46 -0.53 -0.19 1.61 2.76 -1.82 -0.85 115.15 118.58 1n7t h HIS 79 Ca -0.48 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 57.78 1n7t h HIS 79 Cb 1.18 0.27 -0.01 0.00 1.55 0.00 0.00 27.41 30.41 1n7t h HIS 79 CO 0.62 -0.28 0.20 0.78 -1.30 0.00 0.00 177.93 177.95 1n7t h GLY 80 N -0.21 0.00 1.17 5.26 0.00 -1.94 -1.13 103.07 106.22 1n7t h GLY 80 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.23 1n7t h GLY 80 CO -0.36 0.00 -0.85 -1.61 0.00 0.00 0.00 176.54 173.72 1n7t h GLN 81 N 0.00 0.75 -0.19 4.80 -0.00 -1.56 -2.14 115.11 116.78 1n7t h GLN 81 Ca 0.09 -0.68 -0.12 0.00 -0.00 0.00 0.00 58.65 57.94 1n7t h GLN 81 Cb 0.50 0.16 -0.01 0.00 0.00 0.00 0.00 27.48 28.13 1n7t h GLN 81 CO -0.00 1.27 -0.41 0.00 0.00 0.00 0.00 178.83 179.70 1n7t h ALA 82 N 0.49 0.95 -0.03 3.38 0.00 -0.79 -2.59 119.26 120.68 1n7t h ALA 82 Ca -0.08 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 1n7t h ALA 82 Cb 1.50 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.19 1n7t h ALA 82 CO 0.17 0.63 -0.49 0.28 0.00 0.00 0.00 179.25 179.83 1n7t h VAL 83 N 0.36 1.43 -0.73 0.00 2.07 -1.41 -2.63 116.25 115.33 1n7t h VAL 83 Ca 0.03 -1.97 0.03 0.00 0.82 0.00 0.00 66.70 65.61 1n7t h VAL 83 Cb 0.87 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 33.12 1n7t h VAL 83 CO 0.07 0.57 0.48 -1.28 0.02 0.00 0.00 177.57 177.44 1n7t h SER 84 N -0.13 0.78 -0.24 0.57 0.87 -1.39 0.22 113.55 114.23 1n7t h SER 84 Ca -0.05 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.35 1n7t h SER 84 Cb 1.19 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1n7t h SER 84 CO 0.10 0.54 -0.40 -0.07 -0.53 0.00 0.00 176.83 176.47 1n7t h LEU 85 N 0.91 0.77 0.00 2.23 3.38 -1.51 -2.17 115.31 118.92 1n7t h LEU 85 Ca 0.29 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1n7t h LEU 85 Cb 0.03 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1n7t h LEU 85 CO -0.08 1.15 0.00 0.18 0.09 0.00 0.00 178.44 179.78 1n7t n LEU 86 N -4.20 0.00 -0.10 1.67 4.77 -0.88 -3.14 117.00 115.11 1n7t n LEU 86 Ca -0.05 0.41 -0.16 0.00 -0.03 0.00 0.00 56.01 56.19 1n7t n LEU 86 Cb 0.54 -0.41 -0.13 0.00 -2.33 0.00 0.00 43.42 41.08 1n7t n LEU 86 CO 0.46 -0.05 -1.17 0.29 -1.33 0.00 0.00 177.39 175.59 1n7t n LYS 87 N -1.41 0.67 0.26 3.23 4.76 0.02 -4.34 118.16 121.34 1n7t n LYS 87 Ca 0.09 0.13 0.14 0.00 -2.87 0.00 0.00 58.31 55.80 1n7t n LYS 87 Cb 0.26 -1.56 0.61 0.00 -1.84 0.00 0.00 35.03 32.50 1n7t n LYS 87 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n7t h THR 88 N 0.01 0.24 -2.24 -0.18 1.03 -1.42 -3.45 112.91 106.91 1n7t h THR 88 Ca -0.53 -0.73 -0.58 0.00 -0.01 0.00 0.00 66.41 64.55 1n7t h THR 88 Cb 2.02 1.59 0.05 0.00 -1.07 0.00 0.00 68.15 70.73 1n7t h THR 88 CO -0.02 0.09 0.92 0.49 -0.01 0.00 0.00 175.52 176.98 1n7t n PHE 89 N -3.24 2.34 0.29 0.00 3.72 -1.19 -4.93 117.46 114.45 1n7t n PHE 89 Ca 0.00 0.14 -0.11 0.00 -0.05 0.00 0.00 57.45 57.43 1n7t n PHE 89 Cb 0.34 -2.60 -0.05 0.00 -0.94 0.00 0.00 39.48 36.23 1n7t n PHE 89 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1n7t h GLN 90 N 7.11 -0.72 0.00 -1.08 7.50 -1.95 -3.48 115.11 122.51 1n7t h GLN 90 Ca -0.46 0.05 0.00 0.00 0.50 0.00 0.00 58.65 58.74 1n7t h GLN 90 Cb 1.25 0.16 0.00 0.00 0.05 0.00 0.00 27.48 28.95 1n7t h GLN 90 CO 0.91 -0.48 0.00 0.09 -1.50 0.00 0.00 178.83 177.86 1n7t n ASN 91 N -4.02 0.00 -4.78 1.46 5.03 -1.26 -4.84 115.26 106.85 1n7t n ASN 91 Ca -0.09 0.00 -0.31 0.00 0.87 0.00 0.00 54.58 55.04 1n7t n ASN 91 Cb 0.29 0.00 0.07 0.00 -1.02 0.00 0.00 39.78 39.13 1n7t n ASN 91 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1n7t s THR 92 N 0.00 3.44 -0.21 3.41 2.01 -1.26 -0.69 115.64 122.33 1n7t s THR 92 Ca 0.00 0.51 -0.04 0.00 0.31 0.00 0.00 61.69 62.47 1n7t s THR 92 Cb 0.00 -3.05 0.11 0.00 0.01 0.00 0.00 72.50 69.57 1n7t s THR 92 CO 0.00 -0.56 0.36 -0.69 -0.69 0.00 0.00 174.62 173.04 1n7t s VAL 93 N -2.79 -0.57 -0.27 3.82 1.01 0.10 -4.89 120.40 116.82 1n7t s VAL 93 Ca 0.62 0.04 -0.21 0.00 0.00 0.00 0.00 61.98 62.43 1n7t s VAL 93 Cb -0.17 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 1n7t s VAL 93 CO 0.52 -0.05 0.65 -1.61 0.00 0.00 0.00 175.10 174.61 1n7t s GLU 94 N 2.53 4.07 0.08 2.72 8.01 -1.26 -0.83 118.70 134.02 1n7t s GLU 94 Ca 0.07 0.52 0.09 0.00 0.01 0.00 0.00 54.97 55.66 1n7t s GLU 94 Cb -0.14 -3.67 -0.03 0.00 -4.31 0.00 0.00 34.13 25.98 1n7t s GLU 94 CO -0.14 -0.46 -0.23 -0.51 0.01 0.00 0.00 175.26 173.92 1n7t s LEU 95 N 2.57 2.24 -0.16 1.80 1.43 -0.29 -1.40 118.68 124.87 1n7t s LEU 95 Ca 0.27 -0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1n7t s LEU 95 Cb -0.15 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.98 1n7t s LEU 95 CO 0.09 0.16 -0.09 -0.63 0.23 0.00 0.00 176.35 176.11 1n7t s ILE 96 N -0.96 3.24 0.30 -0.59 1.01 -0.60 -0.55 121.20 123.06 1n7t s ILE 96 Ca 0.10 -0.57 0.06 0.00 0.00 0.00 0.00 60.65 60.23 1n7t s ILE 96 Cb -0.10 -2.41 -0.06 0.00 0.01 0.00 0.00 42.46 39.90 1n7t s ILE 96 CO 0.04 0.49 -0.02 0.27 0.00 0.00 0.00 174.94 175.71 1n7t s ILE 97 N 0.74 1.54 -0.02 2.92 -4.36 -0.54 -0.44 121.20 121.04 1n7t s ILE 97 Ca -0.04 -2.08 -0.15 0.00 -0.26 0.00 0.00 60.65 58.12 1n7t s ILE 97 Cb -0.15 -2.57 0.03 0.00 1.25 0.00 0.00 42.46 41.01 1n7t s ILE 97 CO 0.02 -0.20 0.33 -0.69 0.24 0.00 0.00 174.94 174.63 1n7t s VAL 98 N -3.07 0.05 -0.27 8.37 1.01 -1.22 -2.50 120.40 122.77 1n7t s VAL 98 Ca 0.32 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 1n7t s VAL 98 Cb 0.06 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.82 1n7t s VAL 98 CO 0.13 -0.24 0.03 -0.13 0.00 0.00 0.00 175.10 174.90 1n7t s ARG 99 N -1.25 3.08 0.14 2.72 3.00 -1.12 -4.19 118.95 121.33 1n7t s ARG 99 Ca -0.13 -0.85 -0.30 0.00 0.00 0.00 0.00 55.73 54.45 1n7t s ARG 99 Cb -0.05 -3.24 -0.07 0.00 0.00 0.00 0.00 34.95 31.59 1n7t s ARG 99 CO 0.04 -0.40 1.20 -1.21 0.00 0.00 0.00 175.30 174.94 1n7t s GLU 100 N 1.46 4.47 0.15 3.54 2.02 -1.26 -3.83 118.70 125.25 1n7t s GLU 100 Ca 0.02 1.84 -0.13 0.00 0.02 0.00 0.00 54.97 56.73 1n7t s GLU 100 Cb -0.17 -3.28 -0.07 0.00 0.10 0.00 0.00 34.13 30.72 1n7t s GLU 100 CO 0.00 -0.15 0.53 0.14 0.02 0.00 0.00 175.26 175.81 1n7t s VAL 101 N 0.34 4.90 -0.14 2.63 -7.23 -1.26 -5.00 120.40 114.64 1n7t s VAL 101 Ca 0.55 0.71 0.21 0.00 -1.81 0.00 0.00 61.98 61.64 1n7t s VAL 101 Cb -0.32 -3.70 0.45 0.00 0.56 0.00 0.00 36.38 33.38 1n7t s VAL 101 CO 0.34 0.19 1.16 -0.24 -0.31 0.00 0.00 175.10 176.24 1n7t n SER 102 N 0.63 1.71 -0.81 4.85 2.88 -1.26 -5.15 113.62 116.47 1n7t n SER 102 Ca -0.04 -2.52 0.13 0.00 -1.33 0.00 0.00 58.87 55.10 1n7t n SER 102 Cb 0.52 -0.39 0.24 0.00 -0.75 0.00 0.00 64.21 63.82 1n7t n SER 102 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27