#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn5 n THR 2 N 0.00 0.00 -1.07 2.03 -2.24 -1.26 -4.62 114.28 107.11 1xn5 n THR 2 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1xn5 n THR 2 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 1xn5 n THR 2 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1xn5 n ARG 3 N -0.32 0.00 -3.61 -0.78 0.00 -1.26 -3.90 116.66 106.80 1xn5 n ARG 3 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.48 1xn5 n ARG 3 Cb 0.00 -0.95 -0.06 0.00 -0.00 0.00 0.00 32.46 31.45 1xn5 n ARG 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1xn5 s LEU 4 N 6.04 4.40 0.84 2.89 1.43 -1.24 -4.77 118.68 128.27 1xn5 s LEU 4 Ca 0.46 0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 54.18 1xn5 s LEU 4 Cb -0.33 -2.40 0.09 0.00 0.03 0.00 0.00 46.19 43.58 1xn5 s LEU 4 CO 0.70 0.30 1.11 -2.16 0.23 0.00 0.00 176.35 176.53 1xn5 s PRO 5 N -0.73 1.77 0.13 1.29 0.04 -1.26 -4.89 135.00 131.35 1xn5 s PRO 5 Ca 0.20 0.52 -0.30 0.00 0.04 0.00 0.00 61.00 61.46 1xn5 s PRO 5 Cb -0.15 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 1xn5 s PRO 5 CO 0.09 -1.81 1.26 0.16 0.04 0.00 0.00 177.00 176.74 1xn5 s ASP 6 N -3.95 6.99 -0.86 6.66 1.47 -1.26 -4.87 116.67 120.85 1xn5 s ASP 6 Ca 0.62 2.20 -0.12 0.00 1.18 0.00 0.00 52.55 56.43 1xn5 s ASP 6 Cb -0.14 -2.59 -0.09 0.00 -0.34 0.00 0.00 42.92 39.76 1xn5 s ASP 6 CO 0.54 -0.50 2.03 -0.38 0.68 0.00 0.00 175.17 177.54 1xn5 n ILE 7 N 3.38 2.19 -3.30 2.11 5.41 -1.02 -4.85 119.36 123.29 1xn5 n ILE 7 Ca 0.08 -1.51 -0.39 0.00 1.00 0.00 0.00 62.75 61.93 1xn5 n ILE 7 Cb 0.44 -2.20 -0.07 0.00 -0.71 0.00 0.00 39.64 37.10 1xn5 n ILE 7 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1xn5 s LYS 8 N 4.01 4.14 0.16 0.38 2.20 -1.26 -3.50 119.74 125.88 1xn5 s LYS 8 Ca 0.46 0.30 0.05 0.00 -0.36 0.00 0.00 55.97 56.41 1xn5 s LYS 8 Cb 0.12 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 1xn5 s LYS 8 CO 0.02 -0.18 -0.09 0.15 -0.36 0.00 0.00 175.35 174.89 1xn5 s LYS 9 N 1.75 1.12 -0.01 4.03 -0.14 -0.68 -4.99 119.74 120.83 1xn5 s LYS 9 Ca 0.21 -1.49 -0.01 0.00 -1.36 0.00 0.00 55.97 53.32 1xn5 s LYS 9 Cb -0.15 -0.68 0.01 0.00 -1.68 0.00 0.00 37.83 35.33 1xn5 s LYS 9 CO 0.09 0.07 0.03 -2.00 -0.76 0.00 0.00 175.35 172.78 1xn5 s GLU 10 N -3.75 0.03 0.02 1.68 -6.30 -1.26 -0.58 118.70 108.53 1xn5 s GLU 10 Ca 0.19 0.07 0.00 0.00 -2.50 0.00 0.00 54.97 52.73 1xn5 s GLU 10 Cb 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 34.13 34.11 1xn5 s GLU 10 CO 0.02 -0.03 -0.03 0.14 0.02 0.00 0.00 175.26 175.38 1xn5 s VAL 11 N 0.19 0.16 -0.06 3.70 -7.23 0.07 -5.02 120.40 112.21 1xn5 s VAL 11 Ca -0.01 -0.79 0.06 0.00 -1.81 0.00 0.00 61.98 59.42 1xn5 s VAL 11 Cb -0.02 -0.27 -0.01 0.00 0.56 0.00 0.00 36.38 36.64 1xn5 s VAL 11 CO -0.01 -0.40 -0.24 -0.60 -0.31 0.00 0.00 175.10 173.54 1xn5 s ARG 12 N -1.24 2.55 0.06 4.82 3.52 -1.26 -1.49 118.95 125.91 1xn5 s ARG 12 Ca -0.13 -0.87 0.04 0.00 -0.13 0.00 0.00 55.73 54.64 1xn5 s ARG 12 Cb -0.08 -2.12 -0.03 0.00 -1.56 0.00 0.00 34.95 31.15 1xn5 s ARG 12 CO -0.01 0.34 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.64 1xn5 s PHE 13 N -0.07 1.06 -0.55 5.12 0.08 -1.13 -5.05 117.98 117.45 1xn5 s PHE 13 Ca -0.06 -0.45 -0.23 0.00 0.12 0.00 0.00 56.93 56.31 1xn5 s PHE 13 Cb -0.14 -0.61 0.05 0.00 -0.57 0.00 0.00 43.02 41.75 1xn5 s PHE 13 CO 0.04 0.02 0.87 1.21 -0.10 0.00 0.00 175.22 177.26 1xn5 s ASN 14 N -1.60 6.30 0.00 1.36 3.84 -1.26 -2.37 114.94 121.21 1xn5 s ASN 14 Ca -0.04 -0.52 0.00 0.00 0.21 0.00 0.00 52.86 52.51 1xn5 s ASN 14 Cb -0.10 -2.40 0.00 0.00 -0.55 0.00 0.00 41.25 38.20 1xn5 s ASN 14 CO 0.02 -1.16 0.00 0.00 -2.79 0.00 0.00 177.10 173.17 1xn5 n ALA 15 N 7.17 0.00 -2.45 1.71 0.00 -1.26 -4.87 120.51 120.81 1xn5 n ALA 15 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1xn5 n ALA 15 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 1xn5 n ALA 15 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xn5 s PRO 16 N -2.00 4.39 0.53 0.00 0.04 -1.26 -3.44 135.00 133.26 1xn5 s PRO 16 Ca 0.00 1.71 0.36 0.00 0.04 0.00 0.00 61.00 63.11 1xn5 s PRO 16 Cb 0.00 -3.47 1.53 0.00 0.04 0.00 0.00 34.50 32.60 1xn5 s PRO 16 CO 0.00 -0.36 1.78 0.97 0.04 0.00 0.00 177.00 179.42 1xn5 h ILE 17 N 4.81 0.37 -0.55 0.56 2.10 -1.97 0.76 117.51 123.59 1xn5 h ILE 17 Ca -0.37 -0.01 0.03 0.00 1.08 0.00 0.00 64.86 65.58 1xn5 h ILE 17 Cb 1.18 0.33 -0.04 0.00 -1.09 0.00 0.00 36.82 37.21 1xn5 h ILE 17 CO 0.85 0.01 0.33 -0.08 -1.08 0.00 0.00 178.15 178.17 1xn5 h GLU 18 N 0.04 0.63 0.11 2.19 4.22 -1.98 0.73 114.58 120.52 1xn5 h GLU 18 Ca 0.61 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 60.01 1xn5 h GLU 18 Cb 2.36 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 31.46 1xn5 h GLU 18 CO -0.04 0.42 -0.10 -0.22 -2.18 0.00 0.00 179.01 176.89 1xn5 h LYS 19 N 0.65 -0.22 -0.80 1.92 3.64 0.17 1.26 116.57 123.20 1xn5 h LYS 19 Ca 0.22 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1xn5 h LYS 19 Cb 0.03 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 1xn5 h LYS 19 CO -0.10 -0.14 0.50 0.28 -2.27 0.00 0.00 179.45 177.71 1xn5 h VAL 20 N -0.22 1.22 0.63 2.00 2.07 -1.23 0.31 116.25 121.03 1xn5 h VAL 20 Ca 0.00 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 1xn5 h VAL 20 Cb 0.21 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1xn5 h VAL 20 CO -0.02 0.22 -0.30 -0.25 0.02 0.00 0.00 177.57 177.24 1xn5 h TRP 21 N 1.09 -0.78 -0.22 1.57 -0.00 0.10 1.25 115.95 118.96 1xn5 h TRP 21 Ca 0.29 -0.02 0.06 0.00 -0.00 0.00 0.00 58.89 59.22 1xn5 h TRP 21 Cb -0.07 0.26 -0.01 0.00 -0.00 0.00 0.00 29.16 29.34 1xn5 h TRP 21 CO -0.01 -0.45 0.27 0.93 -0.00 0.00 0.00 178.44 179.18 1xn5 h GLU 22 N -0.96 0.00 0.06 2.65 5.08 0.19 1.49 114.58 123.09 1xn5 h GLU 22 Ca -0.09 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 57.98 1xn5 h GLU 22 Cb 0.68 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1xn5 h GLU 22 CO 0.14 0.00 -1.54 0.00 -1.00 0.00 0.00 179.01 176.62 1xn5 h ALA 23 N 1.66 0.47 -0.59 3.43 0.00 0.44 -2.28 119.26 122.39 1xn5 h ALA 23 Ca 0.10 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.80 1xn5 h ALA 23 Cb 0.64 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1xn5 h ALA 23 CO -0.00 1.32 0.00 1.33 0.00 0.00 0.00 179.25 181.90 1xn5 n VAL 24 N -3.30 1.23 -0.01 0.00 0.24 0.42 -2.00 118.33 114.90 1xn5 n VAL 24 Ca -0.15 -0.92 -0.02 0.00 -2.04 0.00 0.00 64.34 61.21 1xn5 n VAL 24 Cb 1.03 0.22 -0.02 0.00 -1.47 0.00 0.00 33.84 33.61 1xn5 n VAL 24 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1xn5 n SER 25 N 1.11 4.01 -4.83 -1.34 3.41 0.47 -4.85 113.62 111.60 1xn5 n SER 25 Ca 0.21 -0.01 -0.26 0.00 -0.26 0.00 0.00 58.87 58.55 1xn5 n SER 25 Cb 0.66 0.17 0.08 0.00 -0.26 0.00 0.00 64.21 64.86 1xn5 n SER 25 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1xn5 s THR 26 N -2.06 2.22 -0.20 6.66 -4.23 -0.86 -2.04 115.64 115.14 1xn5 s THR 26 Ca -0.03 -0.26 -0.22 0.00 -1.18 0.00 0.00 61.69 60.01 1xn5 s THR 26 Cb 0.01 -2.96 -0.20 0.00 1.34 0.00 0.00 72.50 70.69 1xn5 s THR 26 CO 0.08 0.00 0.25 0.28 -0.54 0.00 0.00 174.62 174.69 1xn5 h SER 27 N -0.72 0.02 -0.93 3.99 0.02 -1.83 -3.14 113.55 110.96 1xn5 h SER 27 Ca -0.44 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 59.96 1xn5 h SER 27 Cb 1.30 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.79 1xn5 h SER 27 CO 0.57 1.48 0.59 -0.08 -1.14 0.00 0.00 176.83 178.25 1xn5 h GLU 28 N -0.96 1.23 -0.34 3.45 4.81 -1.90 0.61 114.58 121.48 1xn5 h GLU 28 Ca -0.33 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 58.71 1xn5 h GLU 28 Cb 1.31 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1xn5 h GLU 28 CO -0.19 0.83 -0.19 0.78 -0.73 0.00 0.00 179.01 179.52 1xn5 h GLY 29 N 1.27 0.69 0.25 1.92 0.00 -1.78 -0.93 103.07 104.50 1xn5 h GLY 29 Ca 0.34 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 1xn5 h GLY 29 CO -0.07 0.51 -0.04 1.41 0.00 0.00 0.00 176.54 178.34 1xn5 h LEU 30 N 0.57 -0.10 -1.76 3.11 3.38 -0.71 -3.06 115.31 116.74 1xn5 h LEU 30 Ca 0.09 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1xn5 h LEU 30 Cb 0.64 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1xn5 h LEU 30 CO 0.05 0.55 0.11 0.00 0.09 0.00 0.00 178.44 179.24 1xn5 h ALA 31 N -0.21 1.09 0.00 1.53 0.00 0.34 1.79 119.26 123.80 1xn5 h ALA 31 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xn5 h ALA 31 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xn5 h ALA 31 CO 0.02 -0.09 -0.01 0.35 0.00 0.00 0.00 179.25 179.52 1xn5 h PHE 32 N 0.00 0.00 0.00 0.00 3.04 -1.05 -3.35 116.94 115.58 1xn5 h PHE 32 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1xn5 h PHE 32 Cb 0.22 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.73 1xn5 h PHE 32 CO 0.00 0.01 -0.16 -2.67 -2.02 0.00 0.00 178.31 173.47 1xn5 n TRP 33 N -3.11 0.00 0.00 0.41 4.27 0.86 -4.98 117.44 114.89 1xn5 n TRP 33 Ca -0.01 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.60 1xn5 n TRP 33 Cb 0.20 0.42 0.00 0.00 -1.36 0.00 0.00 31.31 30.57 1xn5 n TRP 33 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1xn5 n PHE 34 N -2.57 0.00 -3.61 -2.67 7.35 0.57 -4.99 117.46 111.54 1xn5 n PHE 34 Ca 0.00 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.68 1xn5 n PHE 34 Cb 0.08 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.90 1xn5 n PHE 34 CO 0.00 0.00 0.00 -1.64 -0.76 0.00 0.00 176.76 174.36 1xn5 s MET 35 N -0.10 0.33 0.22 -4.13 -1.94 -1.21 -4.88 119.30 107.60 1xn5 s MET 35 Ca 0.00 -0.15 -0.32 0.00 -1.71 0.00 0.00 55.69 53.51 1xn5 s MET 35 Cb 0.00 0.13 -0.14 0.00 2.01 0.00 0.00 34.83 36.83 1xn5 s MET 35 CO 0.00 -0.15 1.42 0.39 -0.01 0.00 0.00 175.02 176.67 1xn5 n GLU 36 N -0.28 2.00 -3.83 2.03 1.02 -1.26 -2.87 120.64 117.46 1xn5 n GLU 36 Ca -0.04 0.71 -0.06 0.00 -0.02 0.00 0.00 57.16 57.76 1xn5 n GLU 36 Cb 0.60 -2.38 0.01 0.00 -0.02 0.00 0.00 31.44 29.65 1xn5 n GLU 36 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1xn5 s ASN 37 N 0.37 -0.06 -0.17 1.62 2.20 -1.26 -3.11 114.94 114.52 1xn5 s ASN 37 Ca 0.70 -0.83 0.15 0.00 -0.94 0.00 0.00 52.86 51.94 1xn5 s ASN 37 Cb -0.67 0.69 0.43 0.00 -2.00 0.00 0.00 41.25 39.70 1xn5 s ASN 37 CO 0.48 -1.34 1.20 -0.67 -2.94 0.00 0.00 177.10 173.84 1xn5 n ASP 38 N -1.07 1.84 -4.78 3.54 2.03 -1.25 -4.71 116.55 112.16 1xn5 n ASP 38 Ca -0.06 -3.35 -0.35 0.00 0.52 0.00 0.00 54.79 51.55 1xn5 n ASP 38 Cb 0.60 -0.45 -0.00 0.00 -0.72 0.00 0.00 41.12 40.54 1xn5 n ASP 38 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1xn5 s LEU 39 N -2.50 3.74 -0.17 -2.67 0.20 -1.26 -4.79 118.68 111.23 1xn5 s LEU 39 Ca 0.38 2.12 0.20 0.00 0.69 0.00 0.00 54.13 57.52 1xn5 s LEU 39 Cb 0.38 -4.58 0.41 0.00 -0.43 0.00 0.00 46.19 41.97 1xn5 s LEU 39 CO -0.08 -1.18 1.19 1.17 -0.29 0.00 0.00 176.35 177.16 1xn5 n LYS 40 N -1.34 0.96 -3.70 1.98 4.81 -1.23 -3.11 118.16 116.52 1xn5 n LYS 40 Ca 0.11 -2.39 -0.25 0.00 -0.87 0.00 0.00 58.31 54.91 1xn5 n LYS 40 Cb 0.51 -0.55 0.00 0.00 0.02 0.00 0.00 35.03 35.01 1xn5 n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xn5 n ALA 41 N -0.36 -2.73 -3.68 3.14 0.00 -0.86 -4.95 120.51 111.06 1xn5 n ALA 41 Ca -0.01 -0.17 -0.12 0.00 0.00 0.00 0.00 53.44 53.13 1xn5 n ALA 41 Cb 0.91 -0.97 -0.13 0.00 0.00 0.00 0.00 19.45 19.26 1xn5 n ALA 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1xn5 s GLU 42 N -4.50 0.19 0.38 0.00 2.12 -1.26 -4.96 118.70 110.67 1xn5 s GLU 42 Ca 0.05 0.73 -0.27 0.00 0.36 0.00 0.00 54.97 55.84 1xn5 s GLU 42 Cb -0.01 -0.01 -0.09 0.00 0.26 0.00 0.00 34.13 34.28 1xn5 s GLU 42 CO 0.88 -0.25 1.28 -0.08 -0.54 0.00 0.00 175.26 176.55 1xn5 s THR 43 N 2.11 2.76 -1.01 -1.70 -1.32 -1.26 -2.64 115.64 112.58 1xn5 s THR 43 Ca -0.02 0.71 0.00 0.00 -1.21 0.00 0.00 61.69 61.17 1xn5 s THR 43 Cb -0.11 -3.43 0.00 0.00 -1.51 0.00 0.00 72.50 67.45 1xn5 s THR 43 CO -0.09 0.12 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 1xn5 n GLY 44 N 0.72 0.13 3.98 6.08 0.00 -1.16 -5.01 105.19 109.93 1xn5 n GLY 44 Ca 0.02 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 1xn5 n GLY 44 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xn5 s HIS 45 N -2.54 2.15 -0.15 1.61 2.46 -1.08 -4.96 115.29 112.78 1xn5 s HIS 45 Ca 0.00 -0.17 -0.04 0.00 0.47 0.00 0.00 55.06 55.32 1xn5 s HIS 45 Cb 0.00 -2.85 0.07 0.00 -0.13 0.00 0.00 32.58 29.67 1xn5 s HIS 45 CO 0.00 -1.31 0.15 -3.38 -2.47 0.00 0.00 174.74 167.73 1xn5 s HIS 46 N -2.96 -0.07 -0.01 3.88 -3.43 -1.26 -3.59 115.29 107.86 1xn5 s HIS 46 Ca 0.62 0.13 0.01 0.00 -0.80 0.00 0.00 55.06 55.03 1xn5 s HIS 46 Cb -0.08 -0.46 0.00 0.00 -1.43 0.00 0.00 32.58 30.61 1xn5 s HIS 46 CO 0.41 -0.46 -0.05 -0.59 -2.00 0.00 0.00 174.74 172.06 1xn5 s PHE 47 N 2.24 0.48 0.51 0.38 -0.71 -1.09 -4.99 117.98 114.81 1xn5 s PHE 47 Ca 0.04 -0.09 -0.04 0.00 -1.04 0.00 0.00 56.93 55.80 1xn5 s PHE 47 Cb -0.15 -0.35 -0.01 0.00 -1.21 0.00 0.00 43.02 41.30 1xn5 s PHE 47 CO -0.09 -0.04 0.79 -1.58 -1.34 0.00 0.00 175.22 172.97 1xn5 s HIS 48 N 0.09 3.39 -0.07 3.49 2.46 -1.26 -1.27 115.29 122.12 1xn5 s HIS 48 Ca -0.01 0.63 0.03 0.00 0.47 0.00 0.00 55.06 56.18 1xn5 s HIS 48 Cb -0.04 -2.43 0.01 0.00 -0.13 0.00 0.00 32.58 29.98 1xn5 s HIS 48 CO -0.00 -0.46 -0.16 -1.17 -2.47 0.00 0.00 174.74 170.48 1xn5 s LEU 49 N -4.77 1.78 -0.91 8.88 2.96 0.47 -3.79 118.68 123.30 1xn5 s LEU 49 Ca 0.49 -0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 53.93 1xn5 s LEU 49 Cb -0.10 -0.98 0.23 0.00 0.50 0.00 0.00 46.19 45.84 1xn5 s LEU 49 CO 0.43 0.08 0.85 -1.10 -1.32 0.00 0.00 176.35 175.29 1xn5 s GLN 50 N 0.51 3.68 0.30 1.98 -1.52 -1.18 -1.85 119.66 121.58 1xn5 s GLN 50 Ca -0.14 -2.80 0.00 0.00 -1.95 0.00 0.00 55.36 50.47 1xn5 s GLN 50 Cb -0.16 -4.37 -0.04 0.00 -0.22 0.00 0.00 33.01 28.23 1xn5 s GLN 50 CO 0.05 -1.26 0.50 -1.54 -0.25 0.00 0.00 175.29 172.79 1xn5 s SER 51 N 1.54 6.33 0.00 5.90 1.04 -1.22 -4.52 113.70 122.76 1xn5 s SER 51 Ca 0.23 0.42 0.22 0.00 0.48 0.00 0.00 55.95 57.30 1xn5 s SER 51 Cb -0.11 -2.02 0.97 0.00 0.10 0.00 0.00 66.02 64.96 1xn5 s SER 51 CO -0.08 -0.22 1.70 -0.81 0.98 0.00 0.00 173.24 174.81 1xn5 n PRO 52 N -1.47 0.06 -0.49 4.02 -0.04 -1.26 -2.32 135.00 133.49 1xn5 n PRO 52 Ca -0.05 0.12 0.09 0.00 -0.04 0.00 0.00 63.50 63.62 1xn5 n PRO 52 Cb 0.56 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.83 1xn5 n PRO 52 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1xn5 n PHE 53 N -1.46 1.19 0.00 0.54 3.01 -1.26 -5.04 117.46 114.44 1xn5 n PHE 53 Ca 0.06 -0.61 0.00 0.00 1.01 0.00 0.00 57.45 57.91 1xn5 n PHE 53 Cb 0.24 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 1xn5 n PHE 53 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xn5 n GLY 54 N 0.91 3.04 3.75 1.37 0.00 -0.98 -5.05 105.19 108.23 1xn5 n GLY 54 Ca 0.23 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 1xn5 n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xn5 s PRO 55 N -3.33 4.64 -0.01 1.61 0.04 -1.26 -3.45 135.00 133.24 1xn5 s PRO 55 Ca 0.00 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1xn5 s PRO 55 Cb 0.00 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.33 1xn5 s PRO 55 CO 0.00 0.20 0.01 -1.12 0.04 0.00 0.00 177.00 176.12 1xn5 s SER 56 N -0.70 0.05 0.76 6.66 0.01 -0.77 -4.99 113.70 114.72 1xn5 s SER 56 Ca 0.45 0.01 -0.11 0.00 1.31 0.00 0.00 55.95 57.61 1xn5 s SER 56 Cb -0.31 -0.03 0.05 0.00 0.21 0.00 0.00 66.02 65.94 1xn5 s SER 56 CO 0.39 -0.04 1.08 -2.16 0.41 0.00 0.00 173.24 172.93 1xn5 s PRO 57 N 0.32 2.38 0.04 12.44 0.04 -1.26 -0.39 135.00 148.57 1xn5 s PRO 57 Ca -0.03 0.75 -0.10 0.00 0.04 0.00 0.00 61.00 61.66 1xn5 s PRO 57 Cb -0.04 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.56 1xn5 s PRO 57 CO -0.01 -1.44 0.22 0.00 0.04 0.00 0.00 177.00 175.81 1xn5 s GLN 59 N -2.63 0.44 0.23 0.00 0.74 -0.47 -2.67 119.66 115.31 1xn5 s GLN 59 Ca -0.05 0.72 -0.25 0.00 0.05 0.00 0.00 55.36 55.83 1xn5 s GLN 59 Cb -0.01 0.09 -0.09 0.00 1.10 0.00 0.00 33.01 34.11 1xn5 s GLN 59 CO -0.04 -0.12 0.84 0.08 -0.55 0.00 0.00 175.29 175.50 1xn5 s VAL 60 N 0.92 4.32 -0.09 1.34 1.01 -1.24 -0.16 120.40 126.51 1xn5 s VAL 60 Ca -0.06 1.71 0.05 0.00 0.00 0.00 0.00 61.98 63.68 1xn5 s VAL 60 Cb -0.06 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 1xn5 s VAL 60 CO -0.07 0.35 -0.02 0.35 0.00 0.00 0.00 175.10 175.71 1xn5 n THR 61 N 1.11 0.57 -3.69 3.92 -2.24 -1.13 -2.98 114.28 109.83 1xn5 n THR 61 Ca -0.02 -0.30 -0.11 0.00 -2.27 0.00 0.00 64.05 61.35 1xn5 n THR 61 Cb 0.49 -0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 67.81 1xn5 n THR 61 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1xn5 s ASP 62 N -4.38 -0.58 -0.30 3.42 1.01 -1.23 -4.75 116.67 109.86 1xn5 s ASP 62 Ca -0.08 1.03 -0.04 0.00 0.71 0.00 0.00 52.55 54.18 1xn5 s ASP 62 Cb 0.03 0.97 0.19 0.00 1.01 0.00 0.00 42.92 45.12 1xn5 s ASP 62 CO 0.30 -0.19 0.77 0.54 0.21 0.00 0.00 175.17 176.79 1xn5 s VAL 63 N 0.94 -0.73 -0.27 -1.27 0.11 -1.26 0.50 120.40 118.41 1xn5 s VAL 63 Ca -0.05 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 1xn5 s VAL 63 Cb -0.06 -0.92 0.16 0.00 -1.53 0.00 0.00 36.38 34.04 1xn5 s VAL 63 CO -0.08 0.00 0.46 -0.70 -3.33 0.00 0.00 175.10 171.45 1xn5 s GLU 64 N 2.89 0.44 0.50 1.54 2.56 -1.12 -4.45 118.70 121.06 1xn5 s GLU 64 Ca 0.14 0.51 0.00 0.00 0.00 0.00 0.00 54.97 55.62 1xn5 s GLU 64 Cb -0.11 -0.13 0.00 0.00 2.00 0.00 0.00 34.13 35.89 1xn5 s GLU 64 CO -0.19 -0.80 0.00 0.54 -0.56 0.00 0.00 175.26 174.24 1xn5 n ARG 65 N 5.38 -3.04 -1.39 4.30 3.00 -1.26 -4.05 116.66 119.59 1xn5 n ARG 65 Ca -0.01 2.33 -0.42 0.00 -0.01 0.00 0.00 57.85 59.75 1xn5 n ARG 65 Cb 0.51 -3.64 -0.03 0.00 0.00 0.00 0.00 32.46 29.29 1xn5 n ARG 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1xn5 n PRO 66 N -4.22 2.18 0.00 5.56 -0.04 -1.26 -3.54 135.00 133.68 1xn5 n PRO 66 Ca -0.05 -2.17 0.00 0.00 -0.04 0.00 0.00 63.50 61.24 1xn5 n PRO 66 Cb 0.67 -3.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 1xn5 n PRO 66 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1xn5 n ILE 67 N 5.46 0.00 -3.75 0.52 -6.64 -1.26 -4.06 119.36 109.64 1xn5 n ILE 67 Ca 0.51 0.00 -0.16 0.00 -1.77 0.00 0.00 62.75 61.34 1xn5 n ILE 67 Cb 0.38 -0.32 -0.16 0.00 -1.44 0.00 0.00 39.64 38.10 1xn5 n ILE 67 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 1xn5 s LYS 68 N -1.72 -0.03 -0.09 6.28 2.20 -1.23 -3.36 119.74 121.79 1xn5 s LYS 68 Ca 0.00 0.26 -0.04 0.00 -0.36 0.00 0.00 55.97 55.83 1xn5 s LYS 68 Cb 0.00 -0.29 0.05 0.00 -1.51 0.00 0.00 37.83 36.08 1xn5 s LYS 68 CO 0.00 -0.20 0.18 -1.17 -0.36 0.00 0.00 175.35 173.80 1xn5 s LEU 69 N 1.32 0.07 0.02 5.43 2.96 -1.03 -2.80 118.68 124.66 1xn5 s LEU 69 Ca -0.06 0.39 0.04 0.00 -0.22 0.00 0.00 54.13 54.28 1xn5 s LEU 69 Cb -0.13 0.41 -0.02 0.00 0.50 0.00 0.00 46.19 46.96 1xn5 s LEU 69 CO -0.03 -0.22 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.11 1xn5 s SER 70 N 2.02 1.32 -0.24 3.68 0.15 0.18 0.14 113.70 120.96 1xn5 s SER 70 Ca -0.01 -0.37 -0.13 0.00 0.70 0.00 0.00 55.95 56.14 1xn5 s SER 70 Cb -0.12 -0.09 0.08 0.00 -1.71 0.00 0.00 66.02 64.18 1xn5 s SER 70 CO -0.07 0.02 0.57 0.72 1.20 0.00 0.00 173.24 175.69 1xn5 s PHE 71 N -0.72 -0.91 -0.03 3.44 -0.71 -1.20 -2.86 117.98 114.98 1xn5 s PHE 71 Ca 0.00 1.82 -0.19 0.00 -1.04 0.00 0.00 56.93 57.52 1xn5 s PHE 71 Cb -0.07 0.50 -0.05 0.00 -1.21 0.00 0.00 43.02 42.19 1xn5 s PHE 71 CO 0.01 -0.47 0.54 0.95 -1.34 0.00 0.00 175.22 174.91 1xn5 s THR 72 N 1.69 5.00 -0.09 -4.49 -4.23 0.77 -3.85 115.64 110.44 1xn5 s THR 72 Ca -0.09 1.12 0.03 0.00 -1.18 0.00 0.00 61.69 61.57 1xn5 s THR 72 Cb -0.07 -3.88 0.01 0.00 1.34 0.00 0.00 72.50 69.90 1xn5 s THR 72 CO -0.17 0.41 -0.19 0.86 -0.54 0.00 0.00 174.62 174.99 1xn5 s TRP 73 N -0.07 2.14 0.00 3.99 -0.00 -1.26 -1.36 118.94 122.37 1xn5 s TRP 73 Ca 0.29 -0.90 0.00 0.00 -0.00 0.00 0.00 56.10 55.49 1xn5 s TRP 73 Cb -0.17 -1.48 0.00 0.00 -0.00 0.00 0.00 33.47 31.82 1xn5 s TRP 73 CO 0.15 -0.40 0.00 -3.47 -0.00 0.00 0.00 176.95 173.23 1xn5 n ASP 74 N 3.77 0.00 -4.12 5.86 -0.08 -0.29 -4.24 116.55 117.44 1xn5 n ASP 74 Ca -0.20 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 52.79 1xn5 n ASP 74 Cb 0.52 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.92 1xn5 n ASP 74 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1xn5 n THR 75 N -0.62 -2.12 0.00 5.18 -2.24 -1.26 -4.34 114.28 108.88 1xn5 n THR 75 Ca 0.00 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1xn5 n THR 75 Cb 0.00 -1.89 0.00 0.00 -2.10 0.00 0.00 70.33 66.34 1xn5 n THR 75 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1xn5 n ASP 76 N -2.93 0.00 0.00 3.42 -0.08 -1.26 -5.07 116.55 110.63 1xn5 n ASP 76 Ca -0.32 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.96 1xn5 n ASP 76 Cb 0.69 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.15 1xn5 n ASP 76 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xn5 n GLY 77 N 0.00 0.63 3.26 0.27 0.00 -1.26 -5.05 105.19 103.04 1xn5 n GLY 77 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1xn5 n GLY 77 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xn5 s TRP 78 N 0.00 0.76 0.00 1.61 0.51 -1.26 -4.94 118.94 115.62 1xn5 s TRP 78 Ca 0.00 -1.09 0.06 0.00 -2.12 0.00 0.00 56.10 52.95 1xn5 s TRP 78 Cb 0.00 -0.32 -0.02 0.00 -0.81 0.00 0.00 33.47 32.33 1xn5 s TRP 78 CO 0.00 -0.66 -0.18 -1.12 -0.51 0.00 0.00 176.95 174.49 1xn5 s SER 79 N -3.05 2.09 0.01 2.95 0.01 -1.22 -4.05 113.70 110.44 1xn5 s SER 79 Ca 0.26 -0.38 0.07 0.00 1.31 0.00 0.00 55.95 57.21 1xn5 s SER 79 Cb 0.05 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 1xn5 s SER 79 CO 0.05 0.18 -0.21 0.54 0.41 0.00 0.00 173.24 174.21 1xn5 s VAL 80 N -0.54 1.69 -0.02 3.43 0.11 -1.25 -2.94 120.40 120.87 1xn5 s VAL 80 Ca 0.06 -1.04 0.07 0.00 -2.93 0.00 0.00 61.98 58.14 1xn5 s VAL 80 Cb -0.07 -1.43 -0.02 0.00 -1.53 0.00 0.00 36.38 33.33 1xn5 s VAL 80 CO 0.00 0.36 -0.22 -0.89 -3.33 0.00 0.00 175.10 171.02 1xn5 s THR 81 N -0.63 1.78 0.14 5.04 2.01 -0.32 -3.26 115.64 120.41 1xn5 s THR 81 Ca 0.08 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.14 1xn5 s THR 81 Cb -0.08 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 1xn5 s THR 81 CO 0.00 0.50 0.29 -0.36 -0.69 0.00 0.00 174.62 174.37 1xn5 s PHE 82 N -0.45 3.49 -0.10 4.92 0.08 0.38 -1.26 117.98 125.03 1xn5 s PHE 82 Ca 0.07 0.17 -0.03 0.00 0.12 0.00 0.00 56.93 57.26 1xn5 s PHE 82 Cb -0.09 -1.71 0.05 0.00 -0.57 0.00 0.00 43.02 40.69 1xn5 s PHE 82 CO -0.00 0.51 0.09 -1.01 -0.10 0.00 0.00 175.22 174.71 1xn5 s HIS 83 N -1.73 0.06 0.19 0.36 3.76 0.18 -2.45 115.29 115.66 1xn5 s HIS 83 Ca 0.35 0.09 0.09 0.00 -0.15 0.00 0.00 55.06 55.45 1xn5 s HIS 83 Cb -0.11 -0.52 -0.04 0.00 1.11 0.00 0.00 32.58 33.01 1xn5 s HIS 83 CO 0.28 -0.34 -0.10 -0.51 -0.85 0.00 0.00 174.74 173.23 1xn5 s LEU 84 N 2.18 2.96 -0.30 0.89 1.02 -1.21 -0.52 118.68 123.70 1xn5 s LEU 84 Ca 0.04 -0.61 -0.16 0.00 0.02 0.00 0.00 54.13 53.42 1xn5 s LEU 84 Cb -0.14 -1.63 0.18 0.00 0.02 0.00 0.00 46.19 44.62 1xn5 s LEU 84 CO -0.06 0.09 1.13 -1.59 0.02 0.00 0.00 176.35 175.94 1xn5 s LYS 85 N -2.91 0.14 0.27 1.70 -2.85 -0.96 -3.98 119.74 111.15 1xn5 s LYS 85 Ca 0.25 0.27 -0.30 0.00 -1.00 0.00 0.00 55.97 55.19 1xn5 s LYS 85 Cb -0.08 0.15 -0.11 0.00 -2.06 0.00 0.00 37.83 35.73 1xn5 s LYS 85 CO 0.15 -0.12 1.55 -2.00 0.10 0.00 0.00 175.35 175.04 1xn5 s GLU 86 N 2.75 4.17 0.00 1.78 -6.30 -1.26 -1.77 118.70 118.07 1xn5 s GLU 86 Ca -0.03 2.48 0.00 0.00 -2.50 0.00 0.00 54.97 54.92 1xn5 s GLU 86 Cb -0.08 -3.06 0.00 0.00 0.00 0.00 0.00 34.13 30.99 1xn5 s GLU 86 CO -0.12 -0.57 0.00 -1.91 0.02 0.00 0.00 175.26 172.68 1xn5 n GLU 87 N 2.43 1.66 0.00 4.30 0.00 0.33 -4.89 120.64 124.47 1xn5 n GLU 87 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.24 1xn5 n GLU 87 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.82 1xn5 n GLU 87 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1xn5 n GLU 88 N -0.54 0.00 -3.06 5.31 1.02 -1.26 -3.66 120.64 118.44 1xn5 n GLU 88 Ca 0.00 0.56 -0.23 0.00 -0.02 0.00 0.00 57.16 57.47 1xn5 n GLU 88 Cb 0.00 -1.03 -0.04 0.00 -0.02 0.00 0.00 31.44 30.36 1xn5 n GLU 88 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xn5 n ASN 89 N -1.38 2.81 0.00 1.62 4.13 -1.26 -5.06 115.26 116.12 1xn5 n ASN 89 Ca 0.00 -3.37 0.00 0.00 1.68 0.00 0.00 54.58 52.89 1xn5 n ASN 89 Cb 0.00 -0.59 0.00 0.00 -1.54 0.00 0.00 39.78 37.65 1xn5 n ASN 89 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xn5 n GLY 90 N 0.03 0.27 3.64 7.41 0.00 -1.24 -4.75 105.19 110.55 1xn5 n GLY 90 Ca 0.28 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 1xn5 n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xn5 s THR 91 N -2.00 3.89 -0.17 2.61 2.01 -1.00 0.12 115.64 121.11 1xn5 s THR 91 Ca 0.00 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.23 1xn5 s THR 91 Cb 0.00 -2.73 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 1xn5 s THR 91 CO 0.00 0.35 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.62 1xn5 s ILE 92 N -1.07 3.80 -0.12 1.82 -1.09 -0.73 -2.84 121.20 120.98 1xn5 s ILE 92 Ca 0.19 -0.38 0.03 0.00 -2.23 0.00 0.00 60.65 58.26 1xn5 s ILE 92 Cb -0.11 -2.68 0.00 0.00 -1.58 0.00 0.00 42.46 38.09 1xn5 s ILE 92 CO 0.10 0.47 -0.23 0.12 -1.23 0.00 0.00 174.94 174.17 1xn5 s PHE 93 N 0.63 2.61 -0.01 3.97 2.19 -0.56 -2.26 117.98 124.57 1xn5 s PHE 93 Ca -0.02 -1.13 0.05 0.00 0.33 0.00 0.00 56.93 56.15 1xn5 s PHE 93 Cb -0.14 -1.75 -0.01 0.00 -1.31 0.00 0.00 43.02 39.80 1xn5 s PHE 93 CO 0.02 -0.47 -0.15 0.99 1.83 0.00 0.00 175.22 177.44 1xn5 s THR 94 N 0.50 1.15 0.02 0.12 2.01 0.32 -0.75 115.64 119.02 1xn5 s THR 94 Ca -0.15 -0.65 0.09 0.00 0.31 0.00 0.00 61.69 61.29 1xn5 s THR 94 Cb -0.17 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 1xn5 s THR 94 CO 0.05 0.30 -0.26 -0.51 -0.69 0.00 0.00 174.62 173.51 1xn5 s ILE 95 N -0.38 2.06 -0.06 1.82 -1.16 0.25 -0.65 121.20 123.08 1xn5 s ILE 95 Ca 0.05 -1.28 0.01 0.00 -0.51 0.00 0.00 60.65 58.93 1xn5 s ILE 95 Cb -0.06 -1.75 0.02 0.00 0.61 0.00 0.00 42.46 41.28 1xn5 s ILE 95 CO -0.00 0.42 -0.08 -0.69 -2.81 0.00 0.00 174.94 171.78 1xn5 s VAL 96 N -0.73 0.84 -0.09 4.00 1.01 -0.39 -1.69 120.40 123.35 1xn5 s VAL 96 Ca 0.11 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1xn5 s VAL 96 Cb -0.10 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.47 1xn5 s VAL 96 CO 0.01 0.30 -0.14 -2.28 0.00 0.00 0.00 175.10 172.99 1xn5 s HIS 97 N 0.99 1.79 0.09 5.22 2.46 -1.23 -1.17 115.29 123.44 1xn5 s HIS 97 Ca -0.09 -0.79 0.03 0.00 0.47 0.00 0.00 55.06 54.68 1xn5 s HIS 97 Cb -0.15 -1.30 -0.04 0.00 -0.13 0.00 0.00 32.58 30.96 1xn5 s HIS 97 CO 0.00 -0.41 -0.08 -1.12 -2.47 0.00 0.00 174.74 170.65 1xn5 s SER 98 N 0.93 1.25 0.00 9.88 0.01 -1.15 -2.44 113.70 122.18 1xn5 s SER 98 Ca -0.08 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.34 1xn5 s SER 98 Cb -0.15 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.12 1xn5 s SER 98 CO -0.00 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1xn5 n GLY 99 N 0.49 0.97 3.39 3.44 0.00 -1.26 -3.37 105.19 108.85 1xn5 n GLY 99 Ca -0.16 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 1xn5 n GLY 99 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xn5 n TRP 100 N 0.00 -1.46 -3.49 1.61 7.02 -1.26 -4.99 117.44 114.87 1xn5 n TRP 100 Ca 0.00 0.38 -0.04 0.00 -1.02 0.00 0.00 57.50 56.82 1xn5 n TRP 100 Cb 0.00 -1.85 0.00 0.00 -2.42 0.00 0.00 31.31 27.04 1xn5 n TRP 100 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1xn5 n LYS 101 N 0.19 1.31 -1.81 -0.99 5.02 -1.26 -4.89 118.16 115.72 1xn5 n LYS 101 Ca 0.09 -0.55 -0.36 0.00 -2.02 0.00 0.00 58.31 55.47 1xn5 n LYS 101 Cb 0.49 0.05 0.06 0.00 -0.02 0.00 0.00 35.03 35.60 1xn5 n LYS 101 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1xn5 s GLN 102 N -2.37 2.68 -1.37 1.97 0.74 -1.26 -3.72 119.66 116.33 1xn5 s GLN 102 Ca 0.06 1.87 -0.14 0.00 0.05 0.00 0.00 55.36 57.19 1xn5 s GLN 102 Cb -0.00 -1.89 -0.01 0.00 1.10 0.00 0.00 33.01 32.21 1xn5 s GLN 102 CO 0.04 -1.44 2.30 0.41 -0.55 0.00 0.00 175.29 176.04 1xn5 n GLY 103 N 0.56 4.08 1.54 2.59 0.00 -1.25 -3.36 105.19 109.35 1xn5 n GLY 103 Ca 0.14 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1xn5 n GLY 103 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xn5 n ASP 104 N 5.83 0.00 -4.59 1.61 -0.08 -1.26 -4.91 116.55 113.14 1xn5 n ASP 104 Ca 0.56 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.54 1xn5 n ASP 104 Cb 0.36 0.33 0.20 0.00 2.34 0.00 0.00 41.12 44.35 1xn5 n ASP 104 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1xn5 s THR 105 N -1.77 2.18 0.37 5.18 -1.32 -1.21 -4.84 115.64 114.23 1xn5 s THR 105 Ca 0.00 0.06 0.08 0.00 -1.21 0.00 0.00 61.69 60.62 1xn5 s THR 105 Cb 0.00 -2.25 -0.04 0.00 -1.51 0.00 0.00 72.50 68.71 1xn5 s THR 105 CO 0.00 -0.08 0.22 -0.75 -2.21 0.00 0.00 174.62 171.81 1xn5 s LYS 106 N -4.65 2.42 -0.31 7.08 2.20 -1.26 -2.36 119.74 122.85 1xn5 s LYS 106 Ca 0.67 -1.58 -0.08 0.00 -0.36 0.00 0.00 55.97 54.61 1xn5 s LYS 106 Cb -0.22 -2.22 0.01 0.00 -1.51 0.00 0.00 37.83 33.89 1xn5 s LYS 106 CO 0.61 -0.01 0.12 0.08 -0.36 0.00 0.00 175.35 175.79 1xn5 s VAL 107 N -2.46 4.26 -1.26 4.02 1.01 -1.13 -4.75 120.40 120.09 1xn5 s VAL 107 Ca 0.41 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 1xn5 s VAL 107 Cb -0.02 -3.22 -0.06 0.00 0.00 0.00 0.00 36.38 33.09 1xn5 s VAL 107 CO 0.24 0.02 2.37 -1.84 0.00 0.00 0.00 175.10 175.90 1xn5 n GLU 108 N 4.92 2.69 0.00 2.72 0.00 -1.26 -3.38 120.64 126.33 1xn5 n GLU 108 Ca -0.14 -2.08 0.00 0.00 0.00 0.00 0.00 57.16 54.94 1xn5 n GLU 108 Cb 0.48 -2.89 0.00 0.00 0.00 0.00 0.00 31.44 29.03 1xn5 n GLU 108 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1xn5 n LYS 109 N 5.09 0.00 -0.30 3.44 3.00 -1.26 -4.97 118.16 123.16 1xn5 n LYS 109 Ca 0.58 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.91 1xn5 n LYS 109 Cb 0.29 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.41 1xn5 n LYS 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xn5 h ALA 110 N 1.03 0.47 0.00 3.14 0.00 -2.00 -3.45 119.26 118.45 1xn5 h ALA 110 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1xn5 h ALA 110 Cb 0.00 0.70 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1xn5 h ALA 110 CO 0.00 -0.45 0.00 0.41 0.00 0.00 0.00 179.25 179.21 1xn5 n GLY 111 N -1.53 1.26 3.29 0.00 0.00 -1.22 -5.10 105.19 101.89 1xn5 n GLY 111 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 1xn5 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xn5 s ALA 112 N -2.00 -0.40 1.00 4.61 0.00 -1.26 -5.04 121.76 118.67 1xn5 s ALA 112 Ca 0.00 -0.51 -0.16 0.00 0.00 0.00 0.00 51.96 51.30 1xn5 s ALA 112 Cb 0.00 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.78 1xn5 s ALA 112 CO 0.00 -0.60 0.02 0.39 0.00 0.00 0.00 175.76 175.58 1xn5 n GLU 113 N -0.16 -0.53 -0.06 0.00 1.02 -1.26 -2.85 120.64 116.81 1xn5 n GLU 113 Ca -0.13 -0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 56.76 1xn5 n GLU 113 Cb 0.63 -1.64 -0.06 0.00 -0.02 0.00 0.00 31.44 30.34 1xn5 n GLU 113 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1xn5 h SER 114 N -1.56 0.34 -0.67 1.62 0.87 -1.76 -2.14 113.55 110.24 1xn5 h SER 114 Ca -0.46 -0.39 0.07 0.00 -1.23 0.00 0.00 61.79 59.79 1xn5 h SER 114 Cb 1.31 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 63.11 1xn5 h SER 114 CO 0.33 0.65 0.35 0.00 -0.53 0.00 0.00 176.83 177.63 1xn5 h ALA 115 N 0.70 0.91 0.20 6.23 0.00 -1.86 1.37 119.26 126.80 1xn5 h ALA 115 Ca 0.04 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xn5 h ALA 115 Cb 0.51 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1xn5 h ALA 115 CO 0.02 -0.02 -0.26 0.28 0.00 0.00 0.00 179.25 179.28 1xn5 h VAL 116 N 0.62 0.44 -0.07 0.00 2.07 -1.87 0.29 116.25 117.73 1xn5 h VAL 116 Ca 0.32 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.83 1xn5 h VAL 116 Cb 0.27 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1xn5 h VAL 116 CO -0.23 0.00 0.04 0.58 0.02 0.00 0.00 177.57 177.98 1xn5 h VAL 117 N -0.51 1.09 -0.37 2.57 2.07 -0.68 0.34 116.25 120.76 1xn5 h VAL 117 Ca 0.01 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.33 1xn5 h VAL 117 Cb 0.50 1.14 -0.09 0.00 -1.52 0.00 0.00 31.29 31.33 1xn5 h VAL 117 CO -0.09 0.08 -0.44 -0.74 0.02 0.00 0.00 177.57 176.40 1xn5 h HIS 118 N 0.01 -1.27 -0.11 1.57 6.17 0.21 0.98 115.15 122.71 1xn5 h HIS 118 Ca 0.02 0.07 -0.00 0.00 0.71 0.00 0.00 60.37 61.17 1xn5 h HIS 118 Cb 0.09 0.61 -0.01 0.00 2.52 0.00 0.00 27.41 30.63 1xn5 h HIS 118 CO -0.04 -0.45 0.07 0.93 0.71 0.00 0.00 177.93 179.15 1xn5 h GLU 119 N -0.35 0.15 0.13 5.26 5.08 -0.26 0.91 114.58 125.51 1xn5 h GLU 119 Ca 0.13 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1xn5 h GLU 119 Cb 0.59 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 1xn5 h GLU 119 CO -0.55 0.16 -0.51 0.00 -1.00 0.00 0.00 179.01 177.11 1xn5 h ARG 120 N 0.11 -0.72 -0.71 2.33 3.08 0.91 0.31 114.38 119.69 1xn5 h ARG 120 Ca 0.04 0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 1xn5 h ARG 120 Cb 0.04 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1xn5 h ARG 120 CO -0.01 -0.48 0.26 0.52 -1.07 0.00 0.00 179.97 179.20 1xn5 h MET 121 N -0.74 1.07 -0.21 0.04 2.86 0.10 -2.58 114.93 115.47 1xn5 h MET 121 Ca -0.00 -0.20 0.06 0.00 -2.06 0.00 0.00 59.70 57.49 1xn5 h MET 121 Cb 0.75 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 32.18 1xn5 h MET 121 CO -0.27 0.89 -0.21 0.22 1.06 0.00 0.00 176.91 178.60 1xn5 h ASP 122 N 1.02 -0.66 0.22 1.22 1.82 0.15 1.20 116.42 121.39 1xn5 h ASP 122 Ca 0.23 0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.99 1xn5 h ASP 122 Cb 0.24 0.31 -0.03 0.00 0.68 0.00 0.00 39.33 40.53 1xn5 h ASP 122 CO -0.02 -0.25 -0.40 0.03 -1.61 0.00 0.00 179.24 176.99 1xn5 h ARG 123 N -0.22 -0.65 -0.53 0.28 3.08 -0.19 0.02 114.38 116.17 1xn5 h ARG 123 Ca 0.13 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.33 1xn5 h ARG 123 Cb 0.41 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1xn5 h ARG 123 CO -0.34 -0.43 0.37 0.78 -1.07 0.00 0.00 179.97 179.28 1xn5 h GLY 124 N -0.67 0.36 0.86 0.04 0.00 -1.11 0.14 103.07 102.69 1xn5 h GLY 124 Ca -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 1xn5 h GLY 124 CO -0.15 0.06 -0.34 1.49 0.00 0.00 0.00 176.54 177.60 1xn5 h TRP 125 N 0.25 -0.89 0.22 5.60 4.06 0.27 1.25 115.95 126.70 1xn5 h TRP 125 Ca 0.25 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 61.18 1xn5 h TRP 125 Cb 0.65 0.32 0.00 0.00 -1.00 0.00 0.00 29.16 29.13 1xn5 h TRP 125 CO -0.00 -0.52 -0.10 1.25 -3.56 0.00 0.00 178.44 175.51 1xn5 h HIS 126 N -0.85 -0.27 -0.92 0.49 2.76 -0.04 0.18 115.15 116.49 1xn5 h HIS 126 Ca -0.07 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.24 1xn5 h HIS 126 Cb 0.69 0.09 -0.09 0.00 1.55 0.00 0.00 27.41 29.65 1xn5 h HIS 126 CO -0.09 -0.15 0.53 -0.44 -1.30 0.00 0.00 177.93 176.48 1xn5 h ASP 127 N -0.32 0.71 -0.02 3.26 3.32 -0.61 0.56 116.42 123.32 1xn5 h ASP 127 Ca -0.03 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1xn5 h ASP 127 Cb 0.25 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1xn5 h ASP 127 CO 0.05 0.32 0.01 0.25 -1.72 0.00 0.00 179.24 178.15 1xn5 h LEU 128 N 0.77 0.03 -3.66 1.55 5.85 0.22 -2.53 115.31 117.54 1xn5 h LEU 128 Ca 0.49 -0.18 -0.46 0.00 0.84 0.00 0.00 57.88 58.57 1xn5 h LEU 128 Cb 0.63 -0.01 -0.21 0.00 0.37 0.00 0.00 40.66 41.44 1xn5 h LEU 128 CO -0.33 0.20 0.60 0.55 -0.34 0.00 0.00 178.44 179.12 1xn5 n VAL 129 N -4.99 3.06 0.05 1.05 3.14 0.57 -1.40 118.33 119.81 1xn5 n VAL 129 Ca -0.07 -2.08 0.00 0.00 -2.96 0.00 0.00 64.34 59.23 1xn5 n VAL 129 Cb 0.11 -1.15 0.00 0.00 -1.06 0.00 0.00 33.84 31.74 1xn5 n VAL 129 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1xn5 n ASN 130 N -0.30 0.89 0.00 6.55 5.03 0.18 -4.62 115.26 122.99 1xn5 n ASN 130 Ca 0.44 0.14 0.00 0.00 0.87 0.00 0.00 54.58 56.03 1xn5 n ASN 130 Cb 0.74 -0.25 0.00 0.00 -1.02 0.00 0.00 39.78 39.25 1xn5 n ASN 130 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1xn5 n GLU 131 N -3.42 0.00 -0.31 3.52 -0.00 -1.11 -4.34 120.64 114.98 1xn5 n GLU 131 Ca 0.00 0.00 0.26 0.00 -0.00 0.00 0.00 57.16 57.42 1xn5 n GLU 131 Cb 0.07 -0.70 0.58 0.00 -0.00 0.00 0.00 31.44 31.39 1xn5 n GLU 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xn5 h ARG 132 N 0.00 0.27 0.07 3.44 2.47 -1.58 1.07 114.38 120.12 1xn5 h ARG 132 Ca 0.00 -0.02 -0.24 0.00 -1.26 0.00 0.00 59.98 58.46 1xn5 h ARG 132 Cb 0.64 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.89 1xn5 h ARG 132 CO 0.00 0.18 -1.28 1.25 0.56 0.00 0.00 179.97 180.68 1xn5 h LEU 133 N 0.28 0.22 -1.46 3.04 5.85 -1.51 -3.34 115.31 118.39 1xn5 h LEU 133 Ca 0.57 -0.77 0.13 0.00 0.84 0.00 0.00 57.88 58.65 1xn5 h LEU 133 Cb 1.67 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.57 1xn5 h LEU 133 CO -0.21 1.54 0.51 -0.09 -0.34 0.00 0.00 178.44 179.86 1xn5 h ARG 134 N -0.56 0.53 0.00 1.25 2.43 -1.25 0.35 114.38 117.13 1xn5 h ARG 134 Ca -0.30 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.82 1xn5 h ARG 134 Cb 1.57 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.99 1xn5 h ARG 134 CO -0.03 0.35 -0.07 0.37 -1.51 0.00 0.00 179.97 179.08 1xn5 h GLN 135 N 0.55 0.00 0.00 0.20 4.15 0.98 1.44 115.11 122.43 1xn5 h GLN 135 Ca 0.38 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.79 1xn5 h GLN 135 Cb 0.70 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.39 1xn5 h GLN 135 CO -0.14 0.07 -0.04 0.82 -1.93 0.00 0.00 178.83 177.61 1xn5 h ILE 136 N 0.00 0.32 0.00 2.39 1.08 -0.41 -2.69 117.51 118.20 1xn5 h ILE 136 Ca -0.00 -0.23 -0.17 0.00 -0.39 0.00 0.00 64.86 64.06 1xn5 h ILE 136 Cb 0.14 1.17 -0.03 0.00 -3.07 0.00 0.00 36.82 35.02 1xn5 h ILE 136 CO 0.01 0.04 -1.66 1.33 -0.69 0.00 0.00 178.15 177.18 1xn5 n VAL 137 N -3.46 0.66 1.39 1.67 0.24 0.19 -5.03 118.33 113.98 1xn5 n VAL 137 Ca -0.02 -0.40 0.14 0.00 -2.04 0.00 0.00 64.34 62.01 1xn5 n VAL 137 Cb 0.15 -0.75 0.43 0.00 -1.47 0.00 0.00 33.84 32.20 1xn5 n VAL 137 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07