#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 2.56 -4.88 1.61 7.64 -1.26 -5.09 113.62 114.20 1n7t n SER 2 Ca 0.00 -2.98 -0.32 0.00 1.01 0.00 0.00 58.87 56.58 1n7t n SER 2 Cb 0.00 -0.50 -0.05 0.00 -1.01 0.00 0.00 64.21 62.65 1n7t n SER 2 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1n7t s HIS 3 N -3.33 3.46 -0.30 1.43 4.02 -1.26 -5.09 115.29 114.22 1n7t s HIS 3 Ca 0.34 0.77 -0.14 0.00 1.02 0.00 0.00 55.06 57.05 1n7t s HIS 3 Cb 0.43 -2.17 0.14 0.00 -1.02 0.00 0.00 32.58 29.96 1n7t s HIS 3 CO -0.03 0.35 0.84 0.00 1.02 0.00 0.00 174.74 176.91 1n7t s MET 4 N -2.67 0.46 0.00 1.40 0.00 -1.26 -4.96 119.30 112.26 1n7t s MET 4 Ca 0.44 1.01 0.00 0.00 0.00 0.00 0.00 55.69 57.14 1n7t s MET 4 Cb -0.12 0.47 0.00 0.00 0.00 0.00 0.00 34.83 35.18 1n7t s MET 4 CO 0.22 -0.13 0.00 0.41 0.00 0.00 0.00 175.02 175.52 1n7t n GLY 5 N 4.79 2.40 0.17 3.16 0.00 -1.26 -4.89 105.19 109.56 1n7t n GLY 5 Ca -0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 0.07 -2.56 1.61 3.86 -2.02 -3.32 115.15 112.79 1n7t h HIS 6 Ca 0.00 -0.02 -0.66 0.00 -1.16 0.00 0.00 60.37 58.53 1n7t h HIS 6 Cb 0.00 -0.02 -0.39 0.00 1.06 0.00 0.00 27.41 28.07 1n7t h HIS 6 CO 0.00 0.53 -0.26 -1.91 0.86 0.00 0.00 177.93 177.15 1n7t n GLU 7 N -3.97 2.86 -3.71 2.45 2.13 -1.26 -5.02 120.64 114.12 1n7t n GLU 7 Ca -0.02 -4.61 -0.13 0.00 0.66 0.00 0.00 57.16 53.06 1n7t n GLU 7 Cb 0.51 -2.33 -0.09 0.00 0.27 0.00 0.00 31.44 29.79 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 -2.31 0.25 -0.17 4.31 2.96 -1.25 -4.91 118.68 117.55 1n7t s LEU 8 Ca 0.35 0.87 0.06 0.00 -0.22 0.00 0.00 54.13 55.19 1n7t s LEU 8 Cb 0.08 1.60 0.20 0.00 0.50 0.00 0.00 46.19 48.57 1n7t s LEU 8 CO -0.02 -0.20 1.05 0.00 -1.32 0.00 0.00 176.35 175.87 1n7t n ALA 9 N 2.66 1.28 -2.40 5.97 0.00 -1.26 -5.07 120.51 121.68 1n7t n ALA 9 Ca -0.14 -0.59 -0.43 0.00 0.00 0.00 0.00 53.44 52.28 1n7t n ALA 9 Cb 0.57 -0.62 -0.02 0.00 0.00 0.00 0.00 19.45 19.38 1n7t n ALA 9 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1n7t s LYS 10 N 0.06 3.98 -0.45 0.00 1.02 -1.26 -4.84 119.74 118.26 1n7t s LYS 10 Ca 0.04 1.37 -0.18 0.00 0.02 0.00 0.00 55.97 57.23 1n7t s LYS 10 Cb 0.22 -3.86 0.04 0.00 -0.52 0.00 0.00 37.83 33.71 1n7t s LYS 10 CO -0.06 -1.03 0.52 1.14 -0.92 0.00 0.00 175.35 174.99 1n7t s GLN 11 N 4.04 3.12 -0.51 1.68 -2.07 -1.25 -4.88 119.66 119.78 1n7t s GLN 11 Ca 0.57 -0.80 -0.23 0.00 -1.82 0.00 0.00 55.36 53.07 1n7t s GLN 11 Cb -0.18 -4.02 0.04 0.00 -1.09 0.00 0.00 33.01 27.75 1n7t s GLN 11 CO 0.21 -1.00 0.84 -2.00 -1.32 0.00 0.00 175.29 172.03 1n7t s GLU 12 N 2.32 3.34 0.19 9.60 2.12 -1.26 -3.21 118.70 131.80 1n7t s GLU 12 Ca 0.14 -0.27 0.09 0.00 0.36 0.00 0.00 54.97 55.29 1n7t s GLU 12 Cb -0.18 -4.01 -0.04 0.00 0.26 0.00 0.00 34.13 30.16 1n7t s GLU 12 CO 0.13 -1.31 -0.09 0.96 -0.54 0.00 0.00 175.26 174.41 1n7t s ILE 13 N 3.53 3.19 0.47 -3.70 -0.00 -0.72 -4.95 121.20 119.03 1n7t s ILE 13 Ca 0.28 -1.68 0.00 0.00 -0.00 0.00 0.00 60.65 59.26 1n7t s ILE 13 Cb -0.13 -2.59 0.00 0.00 -0.00 0.00 0.00 42.46 39.74 1n7t s ILE 13 CO 0.20 -0.13 0.69 -0.60 -0.00 0.00 0.00 174.94 175.10 1n7t s ARG 14 N -2.88 2.97 -0.07 0.37 3.52 -1.26 -1.42 118.95 120.17 1n7t s ARG 14 Ca 0.25 -0.53 -0.03 0.00 -0.13 0.00 0.00 55.73 55.30 1n7t s ARG 14 Cb -0.09 -2.54 0.04 0.00 -1.56 0.00 0.00 34.95 30.80 1n7t s ARG 14 CO 0.15 -0.36 0.10 0.08 -0.81 0.00 0.00 175.30 174.46 1n7t s VAL 15 N -2.60 -0.16 -0.38 7.11 1.01 0.49 -4.92 120.40 120.95 1n7t s VAL 15 Ca 0.50 0.33 -0.10 0.00 0.00 0.00 0.00 61.98 62.71 1n7t s VAL 15 Cb -0.10 -0.25 0.04 0.00 0.00 0.00 0.00 36.38 36.06 1n7t s VAL 15 CO 0.38 0.11 0.20 -0.60 0.00 0.00 0.00 175.10 175.19 1n7t s ARG 16 N 2.21 2.76 -0.08 2.72 3.52 -1.26 -0.27 118.95 128.55 1n7t s ARG 16 Ca 0.04 -1.16 0.04 0.00 -0.13 0.00 0.00 55.73 54.53 1n7t s ARG 16 Cb -0.13 -3.70 -0.00 0.00 -1.56 0.00 0.00 34.95 29.56 1n7t s ARG 16 CO -0.05 -0.74 -0.23 0.08 -0.81 0.00 0.00 175.30 173.56 1n7t s VAL 17 N 1.51 1.91 0.47 7.11 1.01 -0.21 -4.90 120.40 127.30 1n7t s VAL 17 Ca 0.01 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 1n7t s VAL 17 Cb -0.20 -1.65 -0.00 0.00 0.00 0.00 0.00 36.38 34.53 1n7t s VAL 17 CO 0.05 0.53 0.70 -1.61 0.00 0.00 0.00 175.10 174.78 1n7t s GLU 18 N 0.22 3.09 -0.97 2.72 2.02 -1.26 0.72 118.70 125.24 1n7t s GLU 18 Ca -0.13 -0.38 -0.03 0.00 0.02 0.00 0.00 54.97 54.45 1n7t s GLU 18 Cb -0.16 -2.51 0.27 0.00 0.10 0.00 0.00 34.13 31.82 1n7t s GLU 18 CO 0.07 -0.31 1.09 1.17 0.02 0.00 0.00 175.26 177.30 1n7t n LYS 19 N -2.14 3.45 -3.39 1.61 3.00 0.90 -4.08 118.16 117.51 1n7t n LYS 19 Ca 0.01 -4.54 -0.26 0.00 -0.00 0.00 0.00 58.31 53.53 1n7t n LYS 19 Cb 0.57 -2.45 -0.10 0.00 0.00 0.00 0.00 35.03 33.05 1n7t n LYS 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1n7t s ASP 20 N -0.82 1.84 0.24 3.14 -1.08 -1.26 -4.40 116.67 114.33 1n7t s ASP 20 Ca 0.32 -2.54 0.17 0.00 -0.52 0.00 0.00 52.55 49.98 1n7t s ASP 20 Cb 0.00 -0.22 0.04 0.00 -1.46 0.00 0.00 42.92 41.28 1n7t s ASP 20 CO -0.02 -0.23 1.26 1.55 0.52 0.00 0.00 175.17 178.26 1n7t h PRO 21 N 6.26 0.00 0.00 4.34 0.14 -2.04 -3.49 132.00 137.21 1n7t h PRO 21 Ca 0.16 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.30 1n7t h PRO 21 Cb 0.95 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.09 1n7t h PRO 21 CO 0.30 0.32 0.00 0.39 0.14 0.00 0.00 178.00 179.15 1n7t n GLU 22 N -3.06 0.09 -0.01 0.86 1.02 -1.26 -5.07 120.64 113.21 1n7t n GLU 22 Ca -0.01 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.00 1n7t n GLU 22 Cb 0.71 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 32.04 1n7t n GLU 22 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1n7t h LEU 23 N 0.00 0.06 0.00 -4.62 4.07 -1.94 -3.39 115.31 109.48 1n7t h LEU 23 Ca 0.00 -0.37 0.00 0.00 0.08 0.00 0.00 57.88 57.59 1n7t h LEU 23 Cb 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.72 1n7t h LEU 23 CO 0.00 0.42 0.00 0.61 -1.08 0.00 0.00 178.44 178.39 1n7t n GLY 24 N -0.09 1.61 3.49 0.83 0.00 -1.26 -3.94 105.19 105.82 1n7t n GLY 24 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.60 0.19 1.61 -0.12 -1.26 -2.94 117.98 112.87 1n7t s PHE 25 Ca 0.00 0.80 0.05 0.00 -0.05 0.00 0.00 56.93 57.73 1n7t s PHE 25 Cb 0.00 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 1n7t s PHE 25 CO 0.00 -0.68 0.20 -1.54 -0.05 0.00 0.00 175.22 173.15 1n7t s SER 26 N -1.78 5.76 0.11 1.98 1.04 -1.18 -5.07 113.70 114.56 1n7t s SER 26 Ca -0.06 -0.08 0.09 0.00 0.48 0.00 0.00 55.95 56.38 1n7t s SER 26 Cb -0.00 -1.57 -0.04 0.00 0.10 0.00 0.00 66.02 64.51 1n7t s SER 26 CO 0.01 0.02 -0.23 0.27 0.98 0.00 0.00 173.24 174.29 1n7t s ILE 27 N -1.87 1.94 0.24 -1.02 -4.36 -1.26 -3.27 121.20 111.60 1n7t s ILE 27 Ca 0.32 -1.59 -0.12 0.00 -0.26 0.00 0.00 60.65 59.00 1n7t s ILE 27 Cb -0.10 -1.73 -0.01 0.00 1.25 0.00 0.00 42.46 41.88 1n7t s ILE 27 CO 0.25 0.03 0.46 -0.44 0.24 0.00 0.00 174.94 175.49 1n7t s SER 28 N -1.88 -0.08 0.00 4.36 0.01 -0.64 -4.94 113.70 110.53 1n7t s SER 28 Ca 0.10 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.42 1n7t s SER 28 Cb -0.10 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.70 1n7t s SER 28 CO 0.05 -1.12 0.00 0.61 0.41 0.00 0.00 173.24 173.19 1n7t n GLY 29 N -0.37 0.94 3.72 3.44 0.00 0.91 -0.61 105.19 113.23 1n7t n GLY 29 Ca -0.02 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 1n7t n GLY 29 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n7t s GLY 30 N -2.27 2.63 -0.54 -0.02 0.00 -1.26 -3.44 107.32 102.43 1n7t s GLY 30 Ca 0.00 1.09 -0.28 0.00 0.00 0.00 0.00 44.72 45.53 1n7t s GLY 30 CO 0.00 1.51 1.27 0.14 0.00 0.00 0.00 173.10 176.03 1n7t s VAL 31 N -1.64 3.97 0.00 1.40 1.01 -0.53 -2.96 120.40 121.65 1n7t s VAL 31 Ca 0.79 0.89 0.00 0.00 0.00 0.00 0.00 61.98 63.66 1n7t s VAL 31 Cb -0.34 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.47 1n7t s VAL 31 CO 0.43 -1.18 0.00 0.61 0.00 0.00 0.00 175.10 174.96 1n7t n GLY 32 N 5.09 0.76 0.00 4.51 0.00 -1.26 -4.23 105.19 110.07 1n7t n GLY 32 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.00 1.18 0.19 -0.02 0.00 -1.15 -4.93 105.19 98.45 1n7t n GLY 33 Ca 0.00 -1.44 0.14 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.97 -3.49 114.38 113.00 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 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.94 1n7t n GLY 35 N 0.68 -0.05 3.64 0.04 0.00 -1.26 -5.01 105.19 103.24 1n7t n GLY 35 Ca 0.03 -1.80 -0.06 0.00 0.00 0.00 0.00 46.02 44.20 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 -4.00 -0.60 -0.19 1.61 2.20 -1.26 -0.06 114.94 112.64 1n7t s ASN 36 Ca 0.00 1.01 0.04 0.00 -0.94 0.00 0.00 52.86 52.97 1n7t s ASN 36 Cb 0.00 1.18 0.38 0.00 -2.00 0.00 0.00 41.25 40.82 1n7t s ASN 36 CO 0.00 -0.16 1.34 -0.81 -2.94 0.00 0.00 177.10 174.53 1n7t n PRO 37 N 3.42 2.26 -0.04 3.55 -0.04 -1.26 -4.23 135.00 138.65 1n7t n PRO 37 Ca -0.17 -1.61 -0.09 0.00 -0.04 0.00 0.00 63.50 61.59 1n7t n PRO 37 Cb 0.57 -1.74 -0.03 0.00 -0.04 0.00 0.00 33.50 32.26 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 -0.06 0.00 -4.31 0.54 3.01 -1.26 -5.04 117.46 110.34 1n7t n PHE 38 Ca 0.24 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.38 1n7t n PHE 38 Cb 0.96 -0.36 -0.09 0.00 -0.01 0.00 0.00 39.48 39.98 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 -2.33 2.74 -0.19 -1.08 1.81 -1.26 -5.06 118.95 113.58 1n7t s ARG 39 Ca -0.16 -0.64 -0.19 0.00 -1.72 0.00 0.00 55.73 53.02 1n7t s ARG 39 Cb 0.05 -2.64 -0.16 0.00 -0.45 0.00 0.00 34.95 31.75 1n7t s ARG 39 CO 0.22 0.62 0.17 -1.00 -0.68 0.00 0.00 175.30 174.63 1n7t h PRO 40 N 4.35 0.00 -0.02 3.54 0.13 -1.96 -3.41 132.00 134.63 1n7t h PRO 40 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1n7t h PRO 40 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1n7t h PRO 40 CO 0.57 0.81 -0.24 -0.25 -0.23 0.00 0.00 178.00 178.66 1n7t n ASP 41 N -4.48 2.42 -4.58 1.44 8.00 -1.26 -4.89 116.55 113.19 1n7t n ASP 41 Ca -0.26 -1.71 -0.40 0.00 0.71 0.00 0.00 54.79 53.13 1n7t n ASP 41 Cb 0.59 0.23 -0.09 0.00 -0.02 0.00 0.00 41.12 41.83 1n7t n ASP 41 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1n7t s ASP 42 N -2.25 6.28 -0.59 -2.24 -1.08 -1.26 -4.96 116.67 110.57 1n7t s ASP 42 Ca 0.24 0.15 0.00 0.00 -0.52 0.00 0.00 52.55 52.41 1n7t s ASP 42 Cb 0.19 -2.23 0.51 0.00 -1.46 0.00 0.00 42.92 39.93 1n7t s ASP 42 CO 0.44 -0.30 1.96 -0.90 0.52 0.00 0.00 175.17 176.89 1n7t n ASP 43 N 5.47 6.39 -1.80 -0.34 5.75 -1.26 -4.80 116.55 125.96 1n7t n ASP 43 Ca -0.07 -3.74 0.00 0.00 -0.01 0.00 0.00 54.79 50.97 1n7t n ASP 43 Cb 0.50 -0.91 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 1n7t n ASP 43 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n7t n GLY 44 N -0.98 0.94 3.65 6.12 0.00 -1.22 -4.19 105.19 109.50 1n7t n GLY 44 Ca 0.61 -1.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 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 0.54 4.93 0.07 -0.61 -1.09 -1.26 -3.98 121.20 119.80 1n7t s ILE 45 Ca 0.00 0.02 0.05 0.00 -2.23 0.00 0.00 60.65 58.49 1n7t s ILE 45 Cb 0.00 -3.24 -0.03 0.00 -1.58 0.00 0.00 42.46 37.62 1n7t s ILE 45 CO 0.00 0.44 -0.15 -0.36 -1.23 0.00 0.00 174.94 173.64 1n7t s PHE 46 N 0.46 1.28 -1.22 3.97 0.40 0.22 -2.38 117.98 120.72 1n7t s PHE 46 Ca 0.04 -0.44 -0.13 0.00 -0.60 0.00 0.00 56.93 55.80 1n7t s PHE 46 Cb -0.12 -0.72 0.17 0.00 0.51 0.00 0.00 43.02 42.86 1n7t s PHE 46 CO 0.00 0.07 1.48 0.28 0.70 0.00 0.00 175.22 177.75 1n7t n VAL 47 N 1.33 4.27 -0.34 -0.44 0.31 -1.25 -1.61 118.33 120.60 1n7t n VAL 47 Ca -0.21 -4.71 0.00 0.00 -0.01 0.00 0.00 64.34 59.42 1n7t n VAL 47 Cb 0.54 -2.46 0.05 0.00 -0.91 0.00 0.00 33.84 31.07 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 4.45 -0.45 -3.66 2.52 5.66 -1.20 -2.60 114.28 118.99 1n7t n THR 48 Ca 0.37 2.08 -0.09 0.00 -3.05 0.00 0.00 64.05 63.36 1n7t n THR 48 Cb 0.42 -2.77 -0.02 0.00 -1.55 0.00 0.00 70.33 66.41 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 -5.90 1.54 0.09 1.09 1.70 -1.26 -4.39 118.95 111.82 1n7t s ARG 49 Ca -0.12 -0.74 0.09 0.00 -0.47 0.00 0.00 55.73 54.48 1n7t s ARG 49 Cb 0.19 0.59 -0.03 0.00 -0.57 0.00 0.00 34.95 35.13 1n7t s ARG 49 CO 0.65 -0.69 -0.23 0.08 -1.08 0.00 0.00 175.30 174.02 1n7t s VAL 50 N -3.82 1.91 -0.03 4.99 1.01 -1.26 -3.09 120.40 120.11 1n7t s VAL 50 Ca 0.07 -1.52 -0.03 0.00 0.00 0.00 0.00 61.98 60.50 1n7t s VAL 50 Cb -0.04 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 1n7t s VAL 50 CO -0.02 0.08 -0.05 0.00 0.00 0.00 0.00 175.10 175.11 1n7t n GLN 51 N 1.26 0.08 -2.68 2.72 6.02 -1.15 -4.93 117.38 118.70 1n7t n GLN 51 Ca -0.18 0.03 -0.43 0.00 -0.01 0.00 0.00 57.00 56.41 1n7t n GLN 51 Cb 0.53 -0.64 -0.02 0.00 1.02 0.00 0.00 30.24 31.13 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 -1.30 4.09 -1.14 -1.09 0.04 -1.26 -4.94 135.00 129.40 1n7t s PRO 52 Ca -0.05 1.07 -0.18 0.00 0.04 0.00 0.00 61.00 61.89 1n7t s PRO 52 Cb 0.01 -3.72 -0.05 0.00 0.04 0.00 0.00 34.50 30.78 1n7t s PRO 52 CO 0.07 -0.82 2.07 -0.85 0.04 0.00 0.00 177.00 177.51 1n7t n GLU 53 N 6.68 2.23 0.09 4.56 0.28 -1.26 -3.99 120.64 129.23 1n7t n GLU 53 Ca 0.11 -2.28 0.00 0.00 -0.16 0.00 0.00 57.16 54.83 1n7t n GLU 53 Cb 0.47 -3.14 0.00 0.00 1.43 0.00 0.00 31.44 30.20 1n7t n GLU 53 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1n7t n GLY 54 N 4.37 -1.83 0.00 -1.84 0.00 -1.26 -4.93 105.19 99.69 1n7t n GLY 54 Ca 0.51 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.98 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 -2.80 0.00 -1.98 1.61 -0.04 -1.26 -4.05 135.00 126.48 1n7t n PRO 55 Ca 0.00 0.13 -0.33 0.00 -0.04 0.00 0.00 63.50 63.26 1n7t n PRO 55 Cb 0.00 -1.09 0.03 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.81 5.89 -0.07 0.55 0.00 -1.25 -4.64 120.51 120.19 1n7t n ALA 56 Ca 0.00 -4.02 -0.07 0.00 0.00 0.00 0.00 53.44 49.35 1n7t n ALA 56 Cb 0.00 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.09 1n7t n ALA 56 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1n7t n SER 57 N -0.61 1.59 0.00 0.00 3.41 -1.26 -4.03 113.62 112.73 1n7t n SER 57 Ca 0.50 0.27 0.09 0.00 -0.26 0.00 0.00 58.87 59.46 1n7t n SER 57 Cb 0.52 -0.67 0.42 0.00 -0.26 0.00 0.00 64.21 64.23 1n7t n SER 57 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1n7t n LYS 58 N -4.10 0.17 -0.08 4.33 4.01 -1.26 -3.83 118.16 117.40 1n7t n LYS 58 Ca -0.11 0.15 -0.08 0.00 -0.51 0.00 0.00 58.31 57.76 1n7t n LYS 58 Cb 0.40 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 33.40 1n7t n LYS 58 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1n7t n LEU 59 N -1.36 1.88 -4.87 -0.35 4.77 -1.26 -4.98 117.00 110.84 1n7t n LEU 59 Ca 0.07 0.47 -0.35 0.00 -0.03 0.00 0.00 56.01 56.17 1n7t n LEU 59 Cb 0.16 -0.80 -0.05 0.00 -2.33 0.00 0.00 43.42 40.39 1n7t n LEU 59 CO 0.14 -0.33 0.02 -0.76 -1.33 0.00 0.00 177.39 175.13 1n7t s LEU 60 N -8.04 4.37 -0.01 2.23 1.43 -1.25 -5.03 118.68 112.38 1n7t s LEU 60 Ca -0.23 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 53.61 1n7t s LEU 60 Cb 0.03 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 1n7t s LEU 60 CO 0.34 0.23 -0.10 0.00 0.23 0.00 0.00 176.35 177.05 1n7t s GLN 61 N -1.75 2.50 0.12 1.70 0.00 -1.26 -4.63 119.66 116.34 1n7t s GLN 61 Ca 0.29 -0.73 -0.35 0.00 -0.00 0.00 0.00 55.36 54.57 1n7t s GLN 61 Cb -0.14 -2.44 -0.16 0.00 0.00 0.00 0.00 33.01 30.28 1n7t s GLN 61 CO 0.16 0.61 1.42 -2.30 0.00 0.00 0.00 175.29 175.18 1n7t n PRO 62 N 1.83 1.53 -1.28 9.60 -0.02 -1.26 -2.29 135.00 143.11 1n7t n PRO 62 Ca -0.16 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1n7t n PRO 62 Cb 0.52 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 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 2.81 0.52 0.71 -1.23 0.00 -1.07 -5.00 105.19 101.92 1n7t n GLY 63 Ca 0.18 -0.87 -0.05 0.00 0.00 0.00 0.00 46.02 45.28 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 1.74 0.15 -3.76 1.61 5.68 -0.97 -4.87 116.55 116.14 1n7t n ASP 64 Ca 0.00 -1.16 -0.15 0.00 -0.50 0.00 0.00 54.79 52.98 1n7t n ASP 64 Cb 0.21 -0.15 -0.16 0.00 -1.14 0.00 0.00 41.12 39.88 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 -3.17 -0.03 -0.28 0.11 2.20 -1.26 -3.78 119.74 113.53 1n7t s LYS 65 Ca 0.13 0.23 -0.17 0.00 -0.36 0.00 0.00 55.97 55.80 1n7t s LYS 65 Cb -0.01 -0.27 -0.02 0.00 -1.51 0.00 0.00 37.83 36.02 1n7t s LYS 65 CO 0.09 -0.19 0.47 0.42 -0.36 0.00 0.00 175.35 175.78 1n7t s ILE 66 N 1.22 5.09 -0.11 5.43 1.09 -1.00 -2.61 121.20 130.30 1n7t s ILE 66 Ca -0.07 0.67 0.07 0.00 -1.10 0.00 0.00 60.65 60.21 1n7t s ILE 66 Cb -0.13 -3.82 -0.24 0.00 -1.06 0.00 0.00 42.46 37.21 1n7t s ILE 66 CO -0.03 0.04 0.40 -0.38 -0.10 0.00 0.00 174.94 174.86 1n7t n ILE 67 N 5.21 1.62 -3.82 2.92 2.08 -0.12 -4.64 119.36 122.61 1n7t n ILE 67 Ca -0.05 -0.74 -0.12 0.00 0.56 0.00 0.00 62.75 62.39 1n7t n ILE 67 Cb 0.50 -1.20 -0.10 0.00 -0.75 0.00 0.00 39.64 38.10 1n7t n ILE 67 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 1n7t s GLN 68 N -2.56 0.54 -0.12 0.38 -0.21 -1.18 -2.63 119.66 113.88 1n7t s GLN 68 Ca -0.14 -0.24 -0.03 0.00 0.02 0.00 0.00 55.36 54.98 1n7t s GLN 68 Cb 0.07 0.23 0.05 0.00 1.00 0.00 0.00 33.01 34.36 1n7t s GLN 68 CO 0.79 -0.13 0.06 0.00 -2.12 0.00 0.00 175.29 173.88 1n7t s ALA 69 N -1.20 0.49 -0.86 6.09 0.00 -0.05 0.26 121.76 126.50 1n7t s ALA 69 Ca -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1n7t s ALA 69 Cb -0.06 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.19 1n7t s ALA 69 CO 0.03 -0.84 0.00 0.09 0.00 0.00 0.00 175.76 175.04 1n7t n ASN 70 N 5.23 -3.24 0.00 0.00 4.13 -0.70 -0.12 115.26 120.56 1n7t n ASN 70 Ca -0.06 0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.46 1n7t n ASN 70 Cb 0.49 -2.82 0.00 0.00 -1.54 0.00 0.00 39.78 35.91 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 -0.69 3.28 3.70 7.41 0.00 -1.26 -5.05 105.19 112.58 1n7t n GLY 71 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.94 3.49 0.15 1.61 2.02 0.83 -5.03 117.35 117.50 1n7t s TYR 72 Ca 0.00 1.03 -0.31 0.00 -0.37 0.00 0.00 57.07 57.41 1n7t s TYR 72 Cb 0.00 -2.72 -0.09 0.00 -0.40 0.00 0.00 41.96 38.75 1n7t s TYR 72 CO 0.00 0.03 1.50 -1.12 -1.57 0.00 0.00 175.55 174.39 1n7t s SER 73 N 0.87 6.67 -0.24 2.29 0.01 -1.26 -0.87 113.70 121.16 1n7t s SER 73 Ca 0.31 2.53 0.14 0.00 1.31 0.00 0.00 55.95 60.23 1n7t s SER 73 Cb -0.16 -2.59 0.69 0.00 0.21 0.00 0.00 66.02 64.16 1n7t s SER 73 CO 0.13 -0.76 1.64 0.49 0.41 0.00 0.00 173.24 175.15 1n7t n PHE 74 N 3.85 1.74 -4.00 2.43 3.01 -1.08 -4.90 117.46 118.52 1n7t n PHE 74 Ca 0.13 -0.95 -0.36 0.00 1.01 0.00 0.00 57.45 57.28 1n7t n PHE 74 Cb 0.40 -0.49 -0.07 0.00 -0.01 0.00 0.00 39.48 39.31 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 -2.88 5.21 -0.12 4.37 1.10 -1.26 -4.33 121.20 123.30 1n7t s ILE 75 Ca 0.50 0.07 0.00 0.00 -0.51 0.00 0.00 60.65 60.71 1n7t s ILE 75 Cb 0.40 -3.27 0.00 0.00 0.15 0.00 0.00 42.46 39.74 1n7t s ILE 75 CO 0.12 0.59 0.00 0.59 -2.11 0.00 0.00 174.94 174.13 1n7t n ASN 76 N 1.93 -5.14 -4.90 4.50 4.13 -1.26 -4.98 115.26 109.53 1n7t n ASN 76 Ca -0.19 0.03 -0.29 0.00 1.68 0.00 0.00 54.58 55.81 1n7t n ASN 76 Cb 0.54 -2.74 -0.02 0.00 -1.54 0.00 0.00 39.78 36.02 1n7t n ASN 76 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1n7t s ILE 77 N -1.37 4.92 0.48 2.41 -4.36 -1.26 -4.85 121.20 117.16 1n7t s ILE 77 Ca 0.00 0.26 -0.17 0.00 -0.26 0.00 0.00 60.65 60.49 1n7t s ILE 77 Cb 0.00 -3.77 -0.08 0.00 1.25 0.00 0.00 42.46 39.86 1n7t s ILE 77 CO 0.00 -0.52 0.95 -1.61 0.24 0.00 0.00 174.94 174.00 1n7t s GLU 78 N -3.95 3.98 0.15 0.37 2.02 -1.26 -1.45 118.70 118.56 1n7t s GLU 78 Ca 0.47 0.92 -0.25 0.00 0.02 0.00 0.00 54.97 56.13 1n7t s GLU 78 Cb -0.10 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 31.95 1n7t s GLU 78 CO 0.34 -0.19 1.60 1.25 0.02 0.00 0.00 175.26 178.27 1n7t h HIS 79 N 1.16 -0.97 -0.41 1.61 -0.00 -1.82 -0.96 115.15 113.77 1n7t h HIS 79 Ca -0.47 0.05 0.12 0.00 -0.00 0.00 0.00 60.37 60.07 1n7t h HIS 79 Cb 1.18 0.46 -0.02 0.00 -0.00 0.00 0.00 27.41 29.04 1n7t h HIS 79 CO 0.63 -0.41 0.35 0.78 -0.00 0.00 0.00 177.93 179.28 1n7t h GLY 80 N -0.35 0.00 1.02 5.26 0.00 -1.94 -0.82 103.07 106.24 1n7t h GLY 80 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.28 1n7t h GLY 80 CO -0.44 0.00 -0.58 -1.61 0.00 0.00 0.00 176.54 173.91 1n7t h GLN 81 N 0.00 0.68 0.54 4.80 5.75 -1.57 -2.50 115.11 122.80 1n7t h GLN 81 Ca 0.20 -0.51 -0.03 0.00 -0.15 0.00 0.00 58.65 58.16 1n7t h GLN 81 Cb 0.89 0.09 0.01 0.00 1.07 0.00 0.00 27.48 29.54 1n7t h GLN 81 CO -0.00 1.13 -0.26 0.00 -2.65 0.00 0.00 178.83 177.05 1n7t h ALA 82 N 0.55 -0.72 -0.68 3.38 0.00 -0.74 -2.19 119.26 118.85 1n7t h ALA 82 Ca -0.03 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.75 1n7t h ALA 82 Cb 1.21 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 19.22 1n7t h ALA 82 CO 0.12 -0.76 0.38 0.28 0.00 0.00 0.00 179.25 179.27 1n7t h VAL 83 N -1.01 0.97 -0.66 0.00 2.07 -1.50 -1.59 116.25 114.53 1n7t h VAL 83 Ca -0.07 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1n7t h VAL 83 Cb 0.63 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1n7t h VAL 83 CO 0.12 0.13 0.40 0.28 0.02 0.00 0.00 177.57 178.52 1n7t h SER 84 N 0.69 0.78 -0.17 0.57 0.02 -1.49 -0.65 113.55 113.31 1n7t h SER 84 Ca 0.30 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1n7t h SER 84 Cb 0.19 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1n7t h SER 84 CO -0.18 0.61 0.02 -0.07 -1.14 0.00 0.00 176.83 176.06 1n7t h LEU 85 N 0.89 0.28 -0.60 5.07 3.38 -0.91 -2.41 115.31 121.01 1n7t h LEU 85 Ca 0.24 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1n7t h LEU 85 Cb -0.03 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1n7t h LEU 85 CO -0.04 0.49 0.16 -0.07 0.09 0.00 0.00 178.44 179.06 1n7t h LEU 86 N 0.07 0.90 -0.61 1.67 3.38 -1.18 -2.83 115.31 116.70 1n7t h LEU 86 Ca 0.05 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1n7t h LEU 86 Cb 0.33 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1n7t h LEU 86 CO 0.01 0.89 0.18 0.11 0.09 0.00 0.00 178.44 179.71 1n7t h LYS 87 N 0.87 0.97 0.00 1.13 1.79 -1.10 -3.06 116.57 117.17 1n7t h LYS 87 Ca 0.19 -0.22 -0.06 0.00 -2.18 0.00 0.00 60.65 58.38 1n7t h LYS 87 Cb 0.33 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1n7t h LYS 87 CO -0.00 0.87 -0.30 0.00 -1.08 0.00 0.00 179.45 178.93 1n7t h THR 88 N 0.89 0.72 -3.53 -0.16 1.03 -1.37 -3.46 112.91 107.02 1n7t h THR 88 Ca 0.20 -1.34 -0.54 0.00 -0.01 0.00 0.00 66.41 64.72 1n7t h THR 88 Cb 0.31 1.86 0.20 0.00 -1.07 0.00 0.00 68.15 69.45 1n7t h THR 88 CO -0.00 0.30 -0.28 0.49 -0.01 0.00 0.00 175.52 176.01 1n7t n PHE 89 N -3.46 -0.53 0.00 0.00 3.72 -1.07 -5.02 117.46 111.10 1n7t n PHE 89 Ca -0.00 0.32 0.00 0.00 -0.05 0.00 0.00 57.45 57.72 1n7t n PHE 89 Cb 0.47 -1.91 0.00 0.00 -0.94 0.00 0.00 39.48 37.10 1n7t n PHE 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1n7t n GLN 90 N -1.73 2.53 -0.05 -1.08 10.64 -1.26 -4.98 117.38 121.45 1n7t n GLN 90 Ca 0.10 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.25 1n7t n GLN 90 Cb 0.51 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.89 1n7t n GLN 90 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 1n7t h ASN 91 N 0.00 0.00 -3.36 2.61 2.35 -1.94 -3.45 115.58 111.80 1n7t h ASN 91 Ca 0.00 -0.05 -0.56 0.00 -0.55 0.00 0.00 56.30 55.15 1n7t h ASN 91 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 1n7t h ASN 91 CO 0.00 0.56 0.06 -0.89 -1.65 0.00 0.00 177.43 175.50 1n7t s THR 92 N -1.66 4.81 -0.10 2.81 2.01 -1.26 -0.07 115.64 122.18 1n7t s THR 92 Ca -0.03 1.41 0.01 0.00 0.31 0.00 0.00 61.69 63.39 1n7t s THR 92 Cb 0.00 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.52 1n7t s THR 92 CO 0.06 0.41 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.59 1n7t s VAL 93 N -0.21 1.24 -0.34 3.82 1.01 0.22 -4.95 120.40 121.20 1n7t s VAL 93 Ca 0.34 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 1n7t s VAL 93 Cb -0.19 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 1n7t s VAL 93 CO 0.20 0.39 0.23 -1.61 0.00 0.00 0.00 175.10 174.31 1n7t s GLU 94 N 1.14 3.40 0.28 2.72 2.02 -1.25 -1.04 118.70 125.97 1n7t s GLU 94 Ca -0.05 -0.70 0.10 0.00 0.02 0.00 0.00 54.97 54.34 1n7t s GLU 94 Cb -0.14 -3.77 -0.04 0.00 0.10 0.00 0.00 34.13 30.27 1n7t s GLU 94 CO -0.03 -0.47 -0.00 -0.51 0.02 0.00 0.00 175.26 174.27 1n7t s LEU 95 N 1.69 3.14 -0.11 1.80 1.02 0.63 -1.72 118.68 125.14 1n7t s LEU 95 Ca 0.06 -0.71 0.03 0.00 0.02 0.00 0.00 54.13 53.53 1n7t s LEU 95 Cb -0.17 -1.65 -0.00 0.00 0.02 0.00 0.00 46.19 44.38 1n7t s LEU 95 CO 0.09 -0.04 -0.21 -0.63 0.02 0.00 0.00 176.35 175.58 1n7t s ILE 96 N -2.36 2.28 0.22 -0.59 -1.09 0.14 -0.38 121.20 119.42 1n7t s ILE 96 Ca 0.32 -0.94 0.02 0.00 -2.23 0.00 0.00 60.65 57.82 1n7t s ILE 96 Cb -0.05 -1.89 -0.05 0.00 -1.58 0.00 0.00 42.46 38.88 1n7t s ILE 96 CO 0.20 0.55 0.04 0.27 -1.23 0.00 0.00 174.94 174.77 1n7t s ILE 97 N 0.37 0.68 0.04 2.92 -4.36 -0.51 -0.95 121.20 119.40 1n7t s ILE 97 Ca -0.17 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.16 1n7t s ILE 97 Cb -0.17 -2.36 -0.01 0.00 1.25 0.00 0.00 42.46 41.17 1n7t s ILE 97 CO 0.08 -0.26 0.13 -0.69 0.24 0.00 0.00 174.94 174.44 1n7t s VAL 98 N -3.66 0.13 -0.32 8.37 1.01 -1.07 -1.75 120.40 123.10 1n7t s VAL 98 Ca 0.30 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 1n7t s VAL 98 Cb 0.07 -0.94 0.04 0.00 0.00 0.00 0.00 36.38 35.55 1n7t s VAL 98 CO 0.08 -0.58 0.05 -0.60 0.00 0.00 0.00 175.10 174.05 1n7t s ARG 99 N -2.70 2.54 0.38 2.72 6.06 -1.20 -4.19 118.95 122.55 1n7t s ARG 99 Ca -0.04 -1.21 -0.26 0.00 -2.50 0.00 0.00 55.73 51.72 1n7t s ARG 99 Cb -0.01 -3.31 -0.09 0.00 0.06 0.00 0.00 34.95 31.61 1n7t s ARG 99 CO -0.05 -0.63 1.18 -1.21 -2.50 0.00 0.00 175.30 172.08 1n7t s GLU 100 N 1.33 4.16 -0.25 5.12 8.01 -1.26 -3.83 118.70 131.97 1n7t s GLU 100 Ca -0.03 1.87 -0.02 0.00 0.01 0.00 0.00 54.97 56.80 1n7t s GLU 100 Cb -0.20 -2.78 0.13 0.00 -4.31 0.00 0.00 34.13 26.98 1n7t s GLU 100 CO 0.01 -0.24 0.37 0.14 0.01 0.00 0.00 175.26 175.54 1n7t s VAL 101 N -1.36 -0.58 -0.23 2.63 -7.23 -1.26 -5.01 120.40 107.37 1n7t s VAL 101 Ca 0.55 -0.13 -0.17 0.00 -1.81 0.00 0.00 61.98 60.42 1n7t s VAL 101 Cb -0.32 -0.84 0.06 0.00 0.56 0.00 0.00 36.38 35.85 1n7t s VAL 101 CO 0.40 -0.17 0.58 -0.55 -0.31 0.00 0.00 175.10 175.06 1n7t s SER 102 N 2.52 -0.68 0.00 4.85 0.15 -1.26 -4.52 113.70 114.76 1n7t s SER 102 Ca 0.12 1.22 0.28 0.00 0.70 0.00 0.00 55.95 58.27 1n7t s SER 102 Cb -0.15 1.17 1.16 0.00 -1.71 0.00 0.00 66.02 66.49 1n7t s SER 102 CO -0.18 -0.21 1.81 -1.20 1.20 0.00 0.00 173.24 174.65