#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 0.02 -0.77 2.03 5.66 -1.26 -4.00 114.28 115.95 1xn5 n THR 2 Ca 0.00 -0.03 -0.34 0.00 -3.05 0.00 0.00 64.05 60.63 1xn5 n THR 2 Cb 0.00 -0.63 0.13 0.00 -1.55 0.00 0.00 70.33 68.28 1xn5 n THR 2 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1xn5 n ARG 3 N 7.72 -0.89 -3.18 1.09 1.74 -1.26 -3.74 116.66 118.14 1xn5 n ARG 3 Ca 0.55 -0.24 -0.34 0.00 -0.77 0.00 0.00 57.85 57.05 1xn5 n ARG 3 Cb 0.00 -1.62 -0.06 0.00 -1.02 0.00 0.00 32.46 29.76 1xn5 n ARG 3 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xn5 s LEU 4 N 0.47 4.22 0.00 0.55 1.43 -1.24 -4.77 118.68 119.34 1xn5 s LEU 4 Ca 0.53 1.27 -0.17 0.00 -1.03 0.00 0.00 54.13 54.73 1xn5 s LEU 4 Cb -0.13 -3.73 0.24 0.00 0.03 0.00 0.00 46.19 42.59 1xn5 s LEU 4 CO 0.68 -0.06 1.09 -0.81 0.23 0.00 0.00 176.35 177.48 1xn5 n PRO 5 N 0.24 -2.05 -3.15 1.29 -0.04 -1.26 -4.95 135.00 125.10 1xn5 n PRO 5 Ca -0.00 -1.71 -0.38 0.00 -0.04 0.00 0.00 63.50 61.37 1xn5 n PRO 5 Cb 0.52 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.57 1xn5 n PRO 5 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1xn5 s ASP 6 N -4.76 7.16 -1.37 3.54 1.47 -1.26 -4.97 116.67 116.47 1xn5 s ASP 6 Ca 0.66 1.41 -0.11 0.00 1.18 0.00 0.00 52.55 55.68 1xn5 s ASP 6 Cb -0.04 -2.41 0.10 0.00 -0.34 0.00 0.00 42.92 40.23 1xn5 s ASP 6 CO 0.48 0.19 2.10 -0.38 0.68 0.00 0.00 175.17 178.24 1xn5 n ILE 7 N 1.42 3.98 -3.35 2.11 5.41 -0.59 -4.93 119.36 123.41 1xn5 n ILE 7 Ca -0.07 -3.71 -0.39 0.00 1.00 0.00 0.00 62.75 59.58 1xn5 n ILE 7 Cb 0.50 -2.47 -0.08 0.00 -0.71 0.00 0.00 39.64 36.89 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 1.63 4.12 0.24 0.38 2.20 -1.26 -2.91 119.74 124.13 1xn5 s LYS 8 Ca 0.45 0.21 0.03 0.00 -0.36 0.00 0.00 55.97 56.29 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 -0.04 -0.16 0.02 0.15 -0.36 0.00 0.00 175.35 174.95 1xn5 s LYS 9 N 1.71 1.36 -0.01 4.03 -0.14 -0.22 -5.00 119.74 121.46 1xn5 s LYS 9 Ca 0.19 -1.70 -0.13 0.00 -1.36 0.00 0.00 55.97 52.97 1xn5 s LYS 9 Cb -0.15 -0.56 0.02 0.00 -1.68 0.00 0.00 37.83 35.45 1xn5 s LYS 9 CO 0.09 -0.13 0.27 -2.00 -0.76 0.00 0.00 175.35 172.82 1xn5 s GLU 10 N -3.89 0.62 0.07 1.68 -6.30 -1.26 -0.81 118.70 108.81 1xn5 s GLU 10 Ca 0.30 -0.23 -0.10 0.00 -2.50 0.00 0.00 54.97 52.44 1xn5 s GLU 10 Cb 0.06 0.27 0.00 0.00 0.00 0.00 0.00 34.13 34.47 1xn5 s GLU 10 CO 0.10 -0.17 0.21 0.14 0.02 0.00 0.00 175.26 175.56 1xn5 s VAL 11 N -1.32 0.12 -0.17 3.70 -7.23 -0.28 -5.02 120.40 110.21 1xn5 s VAL 11 Ca -0.14 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 1xn5 s VAL 11 Cb -0.06 -1.15 0.04 0.00 0.56 0.00 0.00 36.38 35.77 1xn5 s VAL 11 CO 0.04 -0.56 -0.09 -0.60 -0.31 0.00 0.00 175.10 173.58 1xn5 s ARG 12 N -3.29 1.79 0.04 4.82 3.52 -1.26 -1.98 118.95 122.60 1xn5 s ARG 12 Ca 0.00 -0.62 0.07 0.00 -0.13 0.00 0.00 55.73 55.05 1xn5 s ARG 12 Cb 0.02 -2.14 -0.03 0.00 -1.56 0.00 0.00 34.95 31.24 1xn5 s ARG 12 CO -0.08 -0.39 -0.16 -0.06 -0.81 0.00 0.00 175.30 173.80 1xn5 s PHE 13 N 1.53 2.60 -0.45 5.12 0.08 -1.05 -5.00 117.98 120.81 1xn5 s PHE 13 Ca 0.01 -0.23 -0.21 0.00 0.12 0.00 0.00 56.93 56.62 1xn5 s PHE 13 Cb -0.15 -1.47 0.03 0.00 -0.57 0.00 0.00 43.02 40.86 1xn5 s PHE 13 CO -0.08 0.28 0.68 -0.80 -0.10 0.00 0.00 175.22 175.20 1xn5 s ASN 14 N -1.52 6.34 0.00 1.36 0.01 -1.26 -1.45 114.94 118.42 1xn5 s ASN 14 Ca 0.15 -0.32 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 1xn5 s ASN 14 Cb -0.11 -2.34 0.00 0.00 0.41 0.00 0.00 41.25 39.22 1xn5 s ASN 14 CO 0.06 -0.83 0.00 0.00 -1.51 0.00 0.00 177.10 174.82 1xn5 n ALA 15 N 6.39 0.00 -2.43 0.60 0.00 -1.26 -4.83 120.51 118.98 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 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 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 4.31 0.56 0.00 0.04 -1.26 -3.91 135.00 132.74 1xn5 s PRO 16 Ca 0.00 1.69 0.31 0.00 0.04 0.00 0.00 61.00 63.04 1xn5 s PRO 16 Cb 0.00 -3.63 1.46 0.00 0.04 0.00 0.00 34.50 32.37 1xn5 s PRO 16 CO 0.00 -0.54 1.85 0.97 0.04 0.00 0.00 177.00 179.32 1xn5 h ILE 17 N 5.16 0.44 0.00 0.56 2.10 -1.97 1.20 117.51 125.01 1xn5 h ILE 17 Ca -0.32 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.62 1xn5 h ILE 17 Cb 1.14 0.53 -0.00 0.00 -1.09 0.00 0.00 36.82 37.40 1xn5 h ILE 17 CO 0.91 0.00 -0.02 -0.08 -1.08 0.00 0.00 178.15 177.88 1xn5 h GLU 18 N 0.00 0.00 0.00 2.19 4.22 -1.98 0.88 114.58 119.89 1xn5 h GLU 18 Ca 0.37 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.78 1xn5 h GLU 18 Cb 1.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.91 1xn5 h GLU 18 CO -0.00 0.02 -0.29 -0.22 -2.18 0.00 0.00 179.01 176.34 1xn5 h LYS 19 N 0.00 0.00 -0.63 1.92 3.64 0.11 -2.98 116.57 118.63 1xn5 h LYS 19 Ca -0.00 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1xn5 h LYS 19 Cb 0.05 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.81 1xn5 h LYS 19 CO 0.00 0.33 0.32 0.28 -2.27 0.00 0.00 179.45 178.11 1xn5 h VAL 20 N -1.00 0.91 0.00 2.00 2.07 -1.26 1.29 116.25 120.25 1xn5 h VAL 20 Ca -0.04 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.31 1xn5 h VAL 20 Cb 0.50 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 1xn5 h VAL 20 CO -0.03 0.11 -0.28 -0.25 0.02 0.00 0.00 177.57 177.14 1xn5 h TRP 21 N 0.58 -0.76 0.00 1.57 -0.00 0.64 0.74 115.95 118.72 1xn5 h TRP 21 Ca 0.29 0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 59.17 1xn5 h TRP 21 Cb 0.24 0.33 -0.00 0.00 -0.00 0.00 0.00 29.16 29.73 1xn5 h TRP 21 CO -0.10 -0.37 -0.16 1.49 -0.00 0.00 0.00 178.44 179.29 1xn5 h GLU 22 N -0.42 0.00 0.00 2.65 4.81 -1.14 0.46 114.58 120.93 1xn5 h GLU 22 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1xn5 h GLU 22 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1xn5 h GLU 22 CO -0.24 0.16 -0.04 0.00 -0.73 0.00 0.00 179.01 178.16 1xn5 n ALA 23 N -2.27 2.42 -0.10 2.92 0.00 0.43 -2.01 120.51 121.90 1xn5 n ALA 23 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1xn5 n ALA 23 Cb 0.30 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1xn5 n ALA 23 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1xn5 n VAL 24 N -1.59 0.59 -0.05 0.00 0.24 0.23 -2.46 118.33 115.28 1xn5 n VAL 24 Ca 0.07 -0.74 -0.06 0.00 -2.04 0.00 0.00 64.34 61.57 1xn5 n VAL 24 Cb 0.35 0.74 -0.08 0.00 -1.47 0.00 0.00 33.84 33.38 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 -0.29 2.40 -4.99 -1.34 3.41 0.14 -4.93 113.62 108.02 1xn5 n SER 25 Ca 0.00 -0.01 -0.19 0.00 -0.26 0.00 0.00 58.87 58.41 1xn5 n SER 25 Cb 0.19 0.69 0.01 0.00 -0.26 0.00 0.00 64.21 64.83 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 -2.26 3.46 -0.12 6.66 -4.23 -0.85 -1.90 115.64 116.39 1xn5 s THR 26 Ca -0.06 -0.87 -0.19 0.00 -1.18 0.00 0.00 61.69 59.38 1xn5 s THR 26 Cb 0.03 -3.21 -0.17 0.00 1.34 0.00 0.00 72.50 70.49 1xn5 s THR 26 CO 0.43 -0.10 0.53 0.28 -0.54 0.00 0.00 174.62 175.22 1xn5 h SER 27 N 0.60 -0.01 -1.00 3.99 0.02 -1.83 -2.47 113.55 112.85 1xn5 h SER 27 Ca -0.43 -0.65 0.17 0.00 -0.84 0.00 0.00 61.79 60.04 1xn5 h SER 27 Cb 1.27 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.71 1xn5 h SER 27 CO 0.51 0.81 0.62 -0.08 -1.14 0.00 0.00 176.83 177.54 1xn5 h GLU 28 N -0.99 0.81 -0.20 3.45 4.22 -1.89 1.42 114.58 121.40 1xn5 h GLU 28 Ca -0.00 -0.05 -0.14 0.00 0.08 0.00 0.00 59.36 59.25 1xn5 h GLU 28 Cb 0.66 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1xn5 h GLU 28 CO 0.00 0.54 -0.48 0.78 -2.18 0.00 0.00 179.01 177.67 1xn5 h GLY 29 N 0.83 0.56 0.21 1.92 0.00 -1.79 -2.05 103.07 102.74 1xn5 h GLY 29 Ca 0.55 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1xn5 h GLY 29 CO -0.35 0.54 -0.10 1.41 0.00 0.00 0.00 176.54 178.04 1xn5 h LEU 30 N 0.41 -0.24 -1.55 3.11 4.07 -0.22 -3.19 115.31 117.70 1xn5 h LEU 30 Ca 0.02 0.01 0.12 0.00 0.08 0.00 0.00 57.88 58.11 1xn5 h LEU 30 Cb 0.99 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.77 1xn5 h LEU 30 CO 0.09 0.22 0.65 0.00 -1.08 0.00 0.00 178.44 178.32 1xn5 h ALA 31 N -1.09 2.10 -0.01 1.53 0.00 0.21 1.85 119.26 123.85 1xn5 h ALA 31 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xn5 h ALA 31 Cb 0.21 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xn5 h ALA 31 CO 0.05 -0.86 0.06 0.35 0.00 0.00 0.00 179.25 178.85 1xn5 h PHE 32 N 0.00 0.00 0.00 0.00 3.04 -1.35 -3.35 116.94 115.28 1xn5 h PHE 32 Ca 0.19 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.14 1xn5 h PHE 32 Cb 1.49 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.00 1xn5 h PHE 32 CO 0.00 0.00 -0.04 -2.67 -2.02 0.00 0.00 178.31 173.58 1xn5 n TRP 33 N -3.16 0.00 0.00 0.41 4.27 0.34 -4.95 117.44 114.35 1xn5 n TRP 33 Ca -0.03 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.58 1xn5 n TRP 33 Cb 0.13 0.45 0.00 0.00 -1.36 0.00 0.00 31.31 30.53 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 -2.46 0.00 -3.69 -2.67 7.35 0.54 -4.98 117.46 111.55 1xn5 n PHE 34 Ca 0.00 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.66 1xn5 n PHE 34 Cb 0.02 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.84 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 0.00 1.01 0.29 -4.13 -1.94 -1.24 -4.85 119.30 108.43 1xn5 s MET 35 Ca 0.00 -0.53 -0.30 0.00 -1.71 0.00 0.00 55.69 53.15 1xn5 s MET 35 Cb 0.00 0.36 -0.11 0.00 2.01 0.00 0.00 34.83 37.09 1xn5 s MET 35 CO 0.00 -0.46 1.49 -1.21 -0.01 0.00 0.00 175.02 174.84 1xn5 s GLU 36 N -3.12 4.20 0.12 2.03 2.02 -1.26 -2.44 118.70 120.25 1xn5 s GLU 36 Ca 0.11 2.43 -0.09 0.00 0.02 0.00 0.00 54.97 57.45 1xn5 s GLU 36 Cb -0.00 -3.06 0.03 0.00 0.10 0.00 0.00 34.13 31.20 1xn5 s GLU 36 CO -0.00 -0.50 0.45 0.27 0.02 0.00 0.00 175.26 175.50 1xn5 n ASN 37 N 1.94 -0.90 -1.43 -0.19 2.04 -1.26 -2.14 115.26 113.32 1xn5 n ASN 37 Ca 0.06 -1.53 0.01 0.00 -0.44 0.00 0.00 54.58 52.68 1xn5 n ASN 37 Cb 0.39 1.48 0.09 0.00 -2.53 0.00 0.00 39.78 39.21 1xn5 n ASN 37 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1xn5 n ASP 38 N -1.02 1.75 -4.76 0.53 8.00 -1.25 -4.75 116.55 115.04 1xn5 n ASP 38 Ca -0.02 -2.85 -0.36 0.00 0.71 0.00 0.00 54.79 52.28 1xn5 n ASP 38 Cb 0.28 -0.41 0.02 0.00 -0.02 0.00 0.00 41.12 40.99 1xn5 n ASP 38 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xn5 s LEU 39 N -2.01 3.70 -0.10 0.64 2.96 -1.26 -4.88 118.68 117.72 1xn5 s LEU 39 Ca 0.36 2.33 0.16 0.00 -0.22 0.00 0.00 54.13 56.77 1xn5 s LEU 39 Cb 0.38 -4.59 0.33 0.00 0.50 0.00 0.00 46.19 42.80 1xn5 s LEU 39 CO -0.10 -1.47 1.17 0.29 -1.32 0.00 0.00 176.35 174.92 1xn5 n LYS 40 N -1.48 0.56 -3.76 1.98 5.02 -1.24 -2.86 118.16 116.38 1xn5 n LYS 40 Ca 0.13 -1.92 -0.25 0.00 -2.02 0.00 0.00 58.31 54.24 1xn5 n LYS 40 Cb 0.50 -0.13 0.00 0.00 -0.02 0.00 0.00 35.03 35.38 1xn5 n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xn5 n ALA 41 N -0.17 -2.75 -3.41 7.82 0.00 -0.80 -4.96 120.51 116.25 1xn5 n ALA 41 Ca -0.07 -0.29 -0.12 0.00 0.00 0.00 0.00 53.44 52.97 1xn5 n ALA 41 Cb 0.92 -1.15 -0.09 0.00 0.00 0.00 0.00 19.45 19.12 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 -5.13 0.30 0.28 0.00 2.12 -1.26 -4.95 118.70 110.06 1xn5 s GLU 42 Ca 0.08 0.48 -0.29 0.00 0.36 0.00 0.00 54.97 55.60 1xn5 s GLU 42 Cb -0.04 -0.62 -0.13 0.00 0.26 0.00 0.00 34.13 33.60 1xn5 s GLU 42 CO 0.89 -0.62 1.26 -2.37 -0.54 0.00 0.00 175.26 173.89 1xn5 n THR 43 N 5.35 1.55 -2.64 -1.70 5.66 -1.26 -1.73 114.28 119.50 1xn5 n THR 43 Ca -0.04 -0.39 -0.12 0.00 -3.05 0.00 0.00 64.05 60.45 1xn5 n THR 43 Cb 0.50 -1.37 0.02 0.00 -1.55 0.00 0.00 70.33 67.93 1xn5 n THR 43 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xn5 n GLY 44 N 1.44 0.03 2.75 1.09 0.00 -0.75 -4.96 105.19 104.80 1xn5 n GLY 44 Ca 0.09 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1xn5 n GLY 44 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1xn5 n HIS 45 N -3.93 3.43 -1.35 1.61 -0.00 -0.71 -4.95 115.22 109.33 1xn5 n HIS 45 Ca -0.07 -3.54 -0.53 0.00 -0.00 0.00 0.00 57.72 53.59 1xn5 n HIS 45 Cb 0.57 -0.76 -0.13 0.00 -0.00 0.00 0.00 29.99 29.67 1xn5 n HIS 45 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1xn5 n HIS 46 N 0.28 0.99 -4.89 1.57 1.44 -1.26 -4.46 115.22 108.90 1xn5 n HIS 46 Ca 0.33 0.60 -0.33 0.00 -2.01 0.00 0.00 57.72 56.32 1xn5 n HIS 46 Cb 0.36 -2.34 -0.13 0.00 0.12 0.00 0.00 29.99 28.00 1xn5 n HIS 46 CO 0.00 0.00 0.00 -0.59 -2.81 0.00 0.00 176.34 172.94 1xn5 s PHE 47 N 7.17 2.69 0.87 -1.40 -0.71 0.98 -4.92 117.98 122.66 1xn5 s PHE 47 Ca 1.24 -0.17 -0.12 0.00 -1.04 0.00 0.00 56.93 56.85 1xn5 s PHE 47 Cb -1.36 -1.62 0.11 0.00 -1.21 0.00 0.00 43.02 38.95 1xn5 s PHE 47 CO 0.59 0.19 1.11 -1.01 -1.34 0.00 0.00 175.22 174.75 1xn5 s HIS 48 N -0.74 2.55 -0.09 3.49 3.76 -1.26 0.97 115.29 123.96 1xn5 s HIS 48 Ca 0.12 1.08 -0.03 0.00 -0.15 0.00 0.00 55.06 56.07 1xn5 s HIS 48 Cb -0.11 -3.22 0.04 0.00 1.11 0.00 0.00 32.58 30.41 1xn5 s HIS 48 CO 0.01 -2.20 0.07 -1.17 -0.85 0.00 0.00 174.74 170.60 1xn5 s LEU 49 N -6.02 0.28 -1.25 0.89 2.96 -0.32 -3.76 118.68 111.45 1xn5 s LEU 49 Ca 0.63 -0.21 -0.13 0.00 -0.22 0.00 0.00 54.13 54.19 1xn5 s LEU 49 Cb -0.16 -0.21 0.15 0.00 0.50 0.00 0.00 46.19 46.47 1xn5 s LEU 49 CO 0.55 -0.28 1.60 0.00 -1.32 0.00 0.00 176.35 176.90 1xn5 n GLN 50 N 5.27 3.37 -2.53 1.98 1.13 -0.91 -1.76 117.38 123.93 1xn5 n GLN 50 Ca -0.05 -3.65 -0.23 0.00 -1.94 0.00 0.00 57.00 51.13 1xn5 n GLN 50 Cb 0.50 -3.09 0.04 0.00 0.11 0.00 0.00 30.24 27.79 1xn5 n GLN 50 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1xn5 s SER 51 N 2.64 5.27 0.11 1.08 1.04 -1.25 -4.35 113.70 118.24 1xn5 s SER 51 Ca 0.44 0.26 -0.09 0.00 0.48 0.00 0.00 55.95 57.04 1xn5 s SER 51 Cb 0.01 -1.15 -0.13 0.00 0.10 0.00 0.00 66.02 64.85 1xn5 s SER 51 CO 0.01 -1.20 1.29 1.55 0.98 0.00 0.00 173.24 175.87 1xn5 h PRO 52 N -0.11 0.59 -1.92 4.02 0.13 -2.02 -3.27 132.00 129.44 1xn5 h PRO 52 Ca -0.44 -0.58 -0.25 0.00 -0.87 0.00 0.00 66.00 63.86 1xn5 h PRO 52 Cb 1.29 0.15 -0.10 0.00 0.13 0.00 0.00 31.00 32.48 1xn5 h PRO 52 CO 0.56 1.19 0.03 0.34 -0.23 0.00 0.00 178.00 179.90 1xn5 n PHE 53 N -3.84 0.68 0.00 1.56 7.35 -1.26 -4.90 117.46 117.05 1xn5 n PHE 53 Ca -0.08 -1.59 0.00 0.00 -0.76 0.00 0.00 57.45 55.02 1xn5 n PHE 53 Cb 0.81 -1.21 0.00 0.00 0.35 0.00 0.00 39.48 39.44 1xn5 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1xn5 n GLY 54 N 1.51 -1.76 3.74 7.13 0.00 -1.23 -4.94 105.19 109.64 1xn5 n GLY 54 Ca 0.34 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 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 -3.73 4.58 -0.03 1.61 0.04 -1.26 -3.97 135.00 132.25 1xn5 s PRO 55 Ca 0.00 1.75 0.02 0.00 0.04 0.00 0.00 61.00 62.81 1xn5 s PRO 55 Cb 0.00 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.29 1xn5 s PRO 55 CO 0.00 0.07 -0.08 -1.12 0.04 0.00 0.00 177.00 175.91 1xn5 s SER 56 N -0.17 1.14 0.08 6.66 0.01 -0.72 -4.98 113.70 115.72 1xn5 s SER 56 Ca 0.49 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 57.27 1xn5 s SER 56 Cb -0.30 -0.40 -0.06 0.00 0.21 0.00 0.00 66.02 65.47 1xn5 s SER 56 CO 0.36 0.03 1.15 -2.16 0.41 0.00 0.00 173.24 173.03 1xn5 s PRO 57 N 0.44 4.48 0.36 12.44 0.04 -1.26 -1.18 135.00 150.32 1xn5 s PRO 57 Ca -0.07 1.72 0.08 0.00 0.04 0.00 0.00 61.00 62.78 1xn5 s PRO 57 Cb -0.11 -3.34 -0.05 0.00 0.04 0.00 0.00 34.50 31.04 1xn5 s PRO 57 CO 0.01 -0.16 0.10 0.00 0.04 0.00 0.00 177.00 176.99 1xn5 s GLN 59 N -3.81 0.74 -0.06 0.00 0.74 -0.92 -0.01 119.66 116.34 1xn5 s GLN 59 Ca 0.37 0.07 -0.11 0.00 0.05 0.00 0.00 55.36 55.75 1xn5 s GLN 59 Cb 0.01 0.34 -0.05 0.00 1.10 0.00 0.00 33.01 34.41 1xn5 s GLN 59 CO 0.21 -0.20 0.28 0.08 -0.55 0.00 0.00 175.29 175.12 1xn5 s VAL 60 N -1.01 5.25 -0.11 1.34 1.01 -1.26 0.19 120.40 125.81 1xn5 s VAL 60 Ca -0.10 0.55 0.05 0.00 0.00 0.00 0.00 61.98 62.47 1xn5 s VAL 60 Cb -0.04 -3.57 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 1xn5 s VAL 60 CO 0.05 0.59 -0.04 0.35 0.00 0.00 0.00 175.10 176.06 1xn5 n THR 61 N 1.92 0.67 -3.70 3.92 -2.24 -1.21 -1.80 114.28 111.85 1xn5 n THR 61 Ca -0.17 -0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 61.17 1xn5 n THR 61 Cb 0.54 -0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 67.82 1xn5 n THR 61 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xn5 s ASP 62 N -4.67 -0.52 -0.30 3.42 -1.08 -1.24 -4.81 116.67 107.47 1xn5 s ASP 62 Ca -0.11 0.90 -0.02 0.00 -0.52 0.00 0.00 52.55 52.81 1xn5 s ASP 62 Cb 0.04 0.81 0.19 0.00 -1.46 0.00 0.00 42.92 42.49 1xn5 s ASP 62 CO 0.33 -0.19 0.60 0.54 0.52 0.00 0.00 175.17 176.98 1xn5 s VAL 63 N 1.19 -1.00 -0.28 1.11 0.11 -1.26 -0.72 120.40 119.56 1xn5 s VAL 63 Ca -0.08 -0.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.99 1xn5 s VAL 63 Cb -0.07 -1.00 0.17 0.00 -1.53 0.00 0.00 36.38 33.95 1xn5 s VAL 63 CO -0.11 -0.00 0.48 -0.70 -3.33 0.00 0.00 175.10 171.45 1xn5 s GLU 64 N 2.86 0.47 0.38 1.54 2.12 -1.17 -4.63 118.70 120.27 1xn5 s GLU 64 Ca 0.19 0.49 0.00 0.00 0.36 0.00 0.00 54.97 56.01 1xn5 s GLU 64 Cb -0.15 -0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.20 1xn5 s GLU 64 CO -0.21 -0.88 0.00 0.54 -0.54 0.00 0.00 175.26 174.18 1xn5 n ARG 65 N 5.39 -2.33 -1.63 4.30 1.74 -1.26 -4.00 116.66 118.86 1xn5 n ARG 65 Ca 0.01 1.78 -0.41 0.00 -0.77 0.00 0.00 57.85 58.45 1xn5 n ARG 65 Cb 0.51 -2.91 -0.03 0.00 -1.02 0.00 0.00 32.46 29.01 1xn5 n ARG 65 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1xn5 n PRO 66 N -3.75 2.21 0.00 5.56 -0.04 -1.26 -3.58 135.00 134.14 1xn5 n PRO 66 Ca -0.04 -2.36 0.00 0.00 -0.04 0.00 0.00 63.50 61.07 1xn5 n PRO 66 Cb 0.61 -3.21 0.00 0.00 -0.04 0.00 0.00 33.50 30.86 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 5.91 0.00 -3.59 0.52 -6.64 -1.25 -4.08 119.36 110.22 1xn5 n ILE 67 Ca 0.50 0.00 -0.18 0.00 -1.77 0.00 0.00 62.75 61.30 1xn5 n ILE 67 Cb 0.41 -0.23 -0.15 0.00 -1.44 0.00 0.00 39.64 38.24 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 -1.59 0.10 -0.04 6.28 2.20 -1.23 -3.71 119.74 121.75 1xn5 s LYS 68 Ca 0.00 0.36 0.01 0.00 -0.36 0.00 0.00 55.97 55.99 1xn5 s LYS 68 Cb 0.00 -0.80 0.02 0.00 -1.51 0.00 0.00 37.83 35.53 1xn5 s LYS 68 CO 0.00 -0.48 -0.06 -1.17 -0.36 0.00 0.00 175.35 173.28 1xn5 s LEU 69 N 2.30 1.51 0.01 5.43 2.96 -0.74 -3.02 118.68 127.13 1xn5 s LEU 69 Ca 0.04 -0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 53.75 1xn5 s LEU 69 Cb -0.14 -0.48 -0.00 0.00 0.50 0.00 0.00 46.19 46.07 1xn5 s LEU 69 CO -0.09 -0.01 0.10 -0.55 -1.32 0.00 0.00 176.35 174.48 1xn5 s SER 70 N 0.66 0.09 -0.23 3.68 0.15 0.11 0.18 113.70 118.34 1xn5 s SER 70 Ca -0.09 -0.33 -0.21 0.00 0.70 0.00 0.00 55.95 56.01 1xn5 s SER 70 Cb -0.12 0.20 0.06 0.00 -1.71 0.00 0.00 66.02 64.44 1xn5 s SER 70 CO 0.01 -0.40 0.61 0.72 1.20 0.00 0.00 173.24 175.38 1xn5 s PHE 71 N -1.71 -0.68 0.14 3.44 -0.12 -1.13 -3.30 117.98 114.62 1xn5 s PHE 71 Ca -0.12 1.64 -0.24 0.00 -0.05 0.00 0.00 56.93 58.16 1xn5 s PHE 71 Cb -0.06 0.23 -0.08 0.00 -0.63 0.00 0.00 43.02 42.48 1xn5 s PHE 71 CO -0.00 -0.33 0.73 0.95 -0.05 0.00 0.00 175.22 176.52 1xn5 s THR 72 N 0.35 4.45 -0.20 -4.49 -4.23 0.49 -3.48 115.64 108.53 1xn5 s THR 72 Ca -0.00 1.59 -0.11 0.00 -1.18 0.00 0.00 61.69 61.98 1xn5 s THR 72 Cb -0.04 -4.08 -0.05 0.00 1.34 0.00 0.00 72.50 69.67 1xn5 s THR 72 CO 0.00 0.53 0.20 0.86 -0.54 0.00 0.00 174.62 175.67 1xn5 s TRP 73 N -1.14 3.40 0.48 3.99 -0.11 -0.80 -2.17 118.94 122.58 1xn5 s TRP 73 Ca 0.34 0.40 0.00 0.00 1.22 0.00 0.00 56.10 58.06 1xn5 s TRP 73 Cb -0.22 -2.26 0.00 0.00 -1.50 0.00 0.00 33.47 29.49 1xn5 s TRP 73 CO 0.25 0.21 0.00 -3.47 -4.62 0.00 0.00 176.95 169.31 1xn5 n ASP 74 N 3.76 -7.62 -0.32 5.86 2.03 -0.63 -3.09 116.55 116.54 1xn5 n ASP 74 Ca -0.14 1.05 0.31 0.00 0.52 0.00 0.00 54.79 56.52 1xn5 n ASP 74 Cb 0.52 -4.48 0.67 0.00 -0.72 0.00 0.00 41.12 37.11 1xn5 n ASP 74 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xn5 h THR 75 N -1.38 0.44 -0.15 5.18 1.03 -1.67 -3.40 112.91 112.96 1xn5 h THR 75 Ca -0.11 -0.04 0.28 0.00 -0.01 0.00 0.00 66.41 66.52 1xn5 h THR 75 Cb 1.32 0.30 -0.22 0.00 -1.07 0.00 0.00 68.15 68.47 1xn5 h THR 75 CO 0.05 0.02 0.29 -0.62 -0.01 0.00 0.00 175.52 175.26 1xn5 s ASP 76 N -5.18 -0.18 0.00 0.00 2.15 -1.25 -5.09 116.67 107.13 1xn5 s ASP 76 Ca -0.06 0.13 0.00 0.00 0.43 0.00 0.00 52.55 53.05 1xn5 s ASP 76 Cb 0.24 1.16 0.00 0.00 -0.30 0.00 0.00 42.92 44.02 1xn5 s ASP 76 CO 0.80 -0.03 0.00 0.61 -0.17 0.00 0.00 175.17 176.38 1xn5 n GLY 77 N 5.35 -0.85 3.52 2.66 0.00 -1.18 -5.09 105.19 109.60 1xn5 n GLY 77 Ca -0.08 0.52 -0.24 0.00 0.00 0.00 0.00 46.02 46.21 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 0.30 2.43 -0.04 1.61 0.51 -1.26 -4.94 118.94 117.55 1xn5 s TRP 78 Ca 0.00 -0.30 0.01 0.00 -2.12 0.00 0.00 56.10 53.70 1xn5 s TRP 78 Cb 0.00 -1.09 0.02 0.00 -0.81 0.00 0.00 33.47 31.59 1xn5 s TRP 78 CO 0.00 0.65 -0.06 -1.54 -0.51 0.00 0.00 176.95 175.49 1xn5 s SER 79 N -3.38 1.00 0.05 2.95 1.04 -1.19 -1.91 113.70 112.27 1xn5 s SER 79 Ca 0.29 -0.15 0.08 0.00 0.48 0.00 0.00 55.95 56.65 1xn5 s SER 79 Cb -0.06 -0.44 -0.03 0.00 0.10 0.00 0.00 66.02 65.60 1xn5 s SER 79 CO 0.16 -0.02 -0.23 0.54 0.98 0.00 0.00 173.24 174.66 1xn5 s VAL 80 N 0.71 1.87 -0.04 5.02 0.11 -1.23 -2.82 120.40 124.02 1xn5 s VAL 80 Ca -0.10 -1.28 0.04 0.00 -2.93 0.00 0.00 61.98 57.71 1xn5 s VAL 80 Cb -0.13 -1.61 -0.00 0.00 -1.53 0.00 0.00 36.38 33.11 1xn5 s VAL 80 CO 0.01 0.27 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.98 1xn5 s THR 81 N -0.80 1.43 0.08 5.04 2.01 0.37 -2.84 115.64 120.92 1xn5 s THR 81 Ca 0.09 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.39 1xn5 s THR 81 Cb -0.09 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 1xn5 s THR 81 CO 0.02 0.41 0.15 -0.36 -0.69 0.00 0.00 174.62 174.15 1xn5 s PHE 82 N 0.02 3.34 -0.11 4.92 0.08 0.47 -1.07 117.98 125.63 1xn5 s PHE 82 Ca -0.03 0.15 -0.03 0.00 0.12 0.00 0.00 56.93 57.13 1xn5 s PHE 82 Cb -0.11 -1.68 0.04 0.00 -0.57 0.00 0.00 43.02 40.71 1xn5 s PHE 82 CO 0.02 0.55 0.05 -1.01 -0.10 0.00 0.00 175.22 174.73 1xn5 s HIS 83 N -1.48 0.37 0.17 0.36 3.76 0.63 -1.79 115.29 117.32 1xn5 s HIS 83 Ca 0.32 -0.18 0.08 0.00 -0.15 0.00 0.00 55.06 55.13 1xn5 s HIS 83 Cb -0.12 -0.70 -0.04 0.00 1.11 0.00 0.00 32.58 32.83 1xn5 s HIS 83 CO 0.25 -0.39 -0.05 -0.51 -0.85 0.00 0.00 174.74 173.19 1xn5 s LEU 84 N 2.07 3.14 -0.30 0.89 1.02 -1.24 -0.06 118.68 124.20 1xn5 s LEU 84 Ca 0.03 -0.47 -0.14 0.00 0.02 0.00 0.00 54.13 53.57 1xn5 s LEU 84 Cb -0.14 -1.82 0.17 0.00 0.02 0.00 0.00 46.19 44.43 1xn5 s LEU 84 CO -0.06 0.10 1.02 -1.59 0.02 0.00 0.00 176.35 175.84 1xn5 s LYS 85 N -2.82 0.24 0.35 1.70 -2.85 -0.82 -3.95 119.74 111.58 1xn5 s LYS 85 Ca 0.26 0.51 -0.28 0.00 -1.00 0.00 0.00 55.97 55.45 1xn5 s LYS 85 Cb -0.09 0.30 -0.11 0.00 -2.06 0.00 0.00 37.83 35.87 1xn5 s LYS 85 CO 0.17 -0.17 1.39 -2.00 0.10 0.00 0.00 175.35 174.83 1xn5 s GLU 86 N 2.66 4.24 0.00 1.78 -6.30 -1.26 -1.01 118.70 118.80 1xn5 s GLU 86 Ca -0.00 2.38 0.00 0.00 -2.50 0.00 0.00 54.97 54.84 1xn5 s GLU 86 Cb -0.08 -3.02 0.00 0.00 0.00 0.00 0.00 34.13 31.03 1xn5 s GLU 86 CO -0.15 -0.35 0.00 -1.91 0.02 0.00 0.00 175.26 172.87 1xn5 n GLU 87 N 0.63 1.94 0.00 4.30 0.00 0.23 -4.86 120.64 122.88 1xn5 n GLU 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1xn5 n GLU 87 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.85 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 -0.29 0.00 -3.03 5.31 1.02 -1.26 -3.82 120.64 118.57 1xn5 n GLU 88 Ca 0.00 0.62 -0.23 0.00 -0.02 0.00 0.00 57.16 57.53 1xn5 n GLU 88 Cb 0.00 -1.22 -0.04 0.00 -0.02 0.00 0.00 31.44 30.16 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 -1.74 3.07 0.00 1.62 3.02 -1.26 -5.06 115.26 114.91 1xn5 n ASN 89 Ca 0.00 -3.42 0.00 0.00 -0.03 0.00 0.00 54.58 51.13 1xn5 n ASN 89 Cb 0.00 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 1xn5 n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xn5 n GLY 90 N -0.05 -0.05 3.43 7.41 0.00 -1.25 -4.78 105.19 109.91 1xn5 n GLY 90 Ca 0.29 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 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 2.75 -0.14 2.61 2.01 -0.53 0.77 115.64 121.11 1xn5 s THR 91 Ca 0.00 -0.85 -0.07 0.00 0.31 0.00 0.00 61.69 61.08 1xn5 s THR 91 Cb 0.00 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 1xn5 s THR 91 CO 0.00 0.58 0.12 -0.63 -0.69 0.00 0.00 174.62 174.00 1xn5 s ILE 92 N -0.70 5.33 -0.11 1.82 -1.09 -0.18 -2.54 121.20 123.74 1xn5 s ILE 92 Ca 0.11 0.15 -0.01 0.00 -2.23 0.00 0.00 60.65 58.67 1xn5 s ILE 92 Cb -0.10 -3.35 0.03 0.00 -1.58 0.00 0.00 42.46 37.46 1xn5 s ILE 92 CO 0.00 0.56 -0.01 0.12 -1.23 0.00 0.00 174.94 174.38 1xn5 s PHE 93 N -0.56 0.95 -0.12 3.97 2.19 -0.84 -1.95 117.98 121.63 1xn5 s PHE 93 Ca 0.12 -0.46 0.02 0.00 0.33 0.00 0.00 56.93 56.94 1xn5 s PHE 93 Cb -0.12 -0.96 -0.00 0.00 -1.31 0.00 0.00 43.02 40.63 1xn5 s PHE 93 CO 0.02 -0.43 -0.21 0.99 1.83 0.00 0.00 175.22 177.42 1xn5 s THR 94 N 1.88 2.31 -0.06 0.12 2.01 0.91 -1.12 115.64 121.69 1xn5 s THR 94 Ca 0.04 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.12 1xn5 s THR 94 Cb -0.13 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 1xn5 s THR 94 CO -0.06 0.55 -0.05 -0.51 -0.69 0.00 0.00 174.62 173.85 1xn5 s ILE 95 N 0.50 3.87 -0.07 1.82 -1.16 0.01 -0.27 121.20 125.90 1xn5 s ILE 95 Ca -0.13 -0.46 0.00 0.00 -0.51 0.00 0.00 60.65 59.55 1xn5 s ILE 95 Cb -0.17 -2.61 0.02 0.00 0.61 0.00 0.00 42.46 40.31 1xn5 s ILE 95 CO 0.05 0.57 -0.05 -0.69 -2.81 0.00 0.00 174.94 172.01 1xn5 s VAL 96 N -0.86 0.66 -0.06 4.00 1.01 -0.24 -1.06 120.40 123.86 1xn5 s VAL 96 Ca 0.14 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.01 1xn5 s VAL 96 Cb -0.11 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.57 1xn5 s VAL 96 CO 0.03 0.28 -0.13 -2.28 0.00 0.00 0.00 175.10 172.99 1xn5 s HIS 97 N 1.34 1.50 0.06 5.22 5.04 -1.15 -0.48 115.29 126.82 1xn5 s HIS 97 Ca -0.04 -0.51 -0.07 0.00 -1.54 0.00 0.00 55.06 52.91 1xn5 s HIS 97 Cb -0.14 -1.07 -0.01 0.00 0.04 0.00 0.00 32.58 31.41 1xn5 s HIS 97 CO -0.03 -0.23 0.13 -1.12 -2.34 0.00 0.00 174.74 171.16 1xn5 s SER 98 N 0.44 0.17 0.00 9.88 0.01 -1.13 -1.55 113.70 121.52 1xn5 s SER 98 Ca -0.11 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.55 1xn5 s SER 98 Cb -0.14 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1xn5 s SER 98 CO 0.03 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.68 1xn5 n GLY 99 N 0.37 0.45 3.53 3.44 0.00 -1.26 -3.16 105.19 108.55 1xn5 n GLY 99 Ca -0.17 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.80 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 0.46 -3.82 1.61 7.02 -1.26 -4.85 117.44 116.61 1xn5 n TRP 100 Ca 0.00 -2.65 0.00 0.00 -1.02 0.00 0.00 57.50 53.83 1xn5 n TRP 100 Cb 0.00 -0.11 0.00 0.00 -2.42 0.00 0.00 31.31 28.78 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 -1.05 1.97 -0.64 -0.99 5.02 -1.26 -4.96 118.16 116.25 1xn5 n LYS 101 Ca -0.11 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.88 1xn5 n LYS 101 Cb 0.64 0.00 0.19 0.00 -0.02 0.00 0.00 35.03 35.83 1xn5 n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xn5 n GLN 102 N -0.13 -0.92 -2.13 1.97 10.64 -1.26 -3.59 117.38 121.96 1xn5 n GLN 102 Ca 0.00 -0.21 -0.42 0.00 -1.83 0.00 0.00 57.00 54.54 1xn5 n GLN 102 Cb 0.00 -2.29 0.00 0.00 -0.86 0.00 0.00 30.24 27.10 1xn5 n GLN 102 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1xn5 n GLY 103 N 0.55 4.47 0.54 2.61 0.00 -1.25 -3.64 105.19 108.47 1xn5 n GLY 103 Ca 0.09 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 5.04 0.00 -4.16 1.61 -0.08 -1.26 -4.76 116.55 112.93 1xn5 n ASP 104 Ca 0.45 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 53.38 1xn5 n ASP 104 Cb 0.38 0.13 0.08 0.00 2.34 0.00 0.00 41.12 44.06 1xn5 n ASP 104 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1xn5 n THR 105 N -2.00 0.00 -4.30 5.18 -2.24 -1.24 -4.75 114.28 104.93 1xn5 n THR 105 Ca 0.00 -0.29 -0.24 0.00 -2.27 0.00 0.00 64.05 61.25 1xn5 n THR 105 Cb 0.00 -0.27 -0.12 0.00 -2.10 0.00 0.00 70.33 67.83 1xn5 n THR 105 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1xn5 s LYS 106 N -2.69 1.17 -0.75 -0.78 2.20 -1.26 -2.50 119.74 115.12 1xn5 s LYS 106 Ca 0.47 -1.20 -0.25 0.00 -0.36 0.00 0.00 55.97 54.62 1xn5 s LYS 106 Cb -0.12 -1.44 0.05 0.00 -1.51 0.00 0.00 37.83 34.80 1xn5 s LYS 106 CO 0.73 0.33 1.19 0.08 -0.36 0.00 0.00 175.35 177.32 1xn5 s VAL 107 N -1.22 3.97 -0.88 4.02 1.01 -1.06 -4.84 120.40 121.39 1xn5 s VAL 107 Ca 0.08 -0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.93 1xn5 s VAL 107 Cb -0.10 -4.86 -0.07 0.00 0.00 0.00 0.00 36.38 31.35 1xn5 s VAL 107 CO 0.05 -1.73 2.06 1.21 0.00 0.00 0.00 175.10 176.68 1xn5 n GLU 108 N 8.70 1.94 0.13 2.72 2.13 -1.26 -2.84 120.64 132.16 1xn5 n GLU 108 Ca 0.05 -1.56 0.00 0.00 0.66 0.00 0.00 57.16 56.31 1xn5 n GLU 108 Cb 0.48 -2.57 0.00 0.00 0.27 0.00 0.00 31.44 29.62 1xn5 n GLU 108 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1xn5 n LYS 109 N 4.92 0.00 0.14 5.31 4.81 -1.26 -5.00 118.16 127.08 1xn5 n LYS 109 Ca 0.45 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.83 1xn5 n LYS 109 Cb 0.20 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.22 1xn5 n LYS 109 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xn5 h ALA 110 N 0.00 -0.48 0.00 3.14 0.00 -1.97 -3.49 119.26 116.46 1xn5 h ALA 110 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xn5 h ALA 110 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 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 0.59 3.36 3.62 0.00 0.00 -1.13 -5.12 105.19 106.51 1xn5 n GLY 111 Ca -0.05 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 0.72 0.54 4.61 0.00 -1.26 -4.65 121.76 121.72 1xn5 s ALA 112 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.89 1xn5 s ALA 112 Cb 0.00 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 1xn5 s ALA 112 CO 0.00 -3.03 0.85 -1.21 0.00 0.00 0.00 175.76 172.37 1xn5 s GLU 113 N -4.72 3.15 0.40 0.00 2.02 -1.26 -2.58 118.70 115.71 1xn5 s GLU 113 Ca 0.66 0.04 0.16 0.00 0.02 0.00 0.00 54.97 55.86 1xn5 s GLU 113 Cb -0.21 -2.32 1.04 0.00 0.10 0.00 0.00 34.13 32.73 1xn5 s GLU 113 CO 0.60 -0.50 1.82 1.03 0.02 0.00 0.00 175.26 178.23 1xn5 h SER 114 N -0.01 0.47 0.34 -0.19 0.87 -1.78 0.88 113.55 114.14 1xn5 h SER 114 Ca -0.46 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.14 1xn5 h SER 114 Cb 1.24 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1xn5 h SER 114 CO 0.61 0.17 -0.17 0.00 -0.53 0.00 0.00 176.83 176.91 1xn5 h ALA 115 N 1.61 -0.46 -0.36 6.23 0.00 -1.88 1.35 119.26 125.75 1xn5 h ALA 115 Ca 0.52 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.28 1xn5 h ALA 115 Cb 1.21 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1xn5 h ALA 115 CO -0.23 -0.58 0.13 0.28 0.00 0.00 0.00 179.25 178.84 1xn5 h VAL 116 N -0.82 0.90 -0.17 0.00 2.07 -1.49 0.64 116.25 117.37 1xn5 h VAL 116 Ca -0.05 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1xn5 h VAL 116 Cb 0.52 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1xn5 h VAL 116 CO 0.08 0.05 0.05 0.58 0.02 0.00 0.00 177.57 178.35 1xn5 h VAL 117 N 0.28 1.20 -0.50 2.57 2.07 0.73 0.64 116.25 123.24 1xn5 h VAL 117 Ca 0.16 -0.62 0.10 0.00 0.82 0.00 0.00 66.70 67.16 1xn5 h VAL 117 Cb 0.13 1.28 -0.10 0.00 -1.52 0.00 0.00 31.29 31.08 1xn5 h VAL 117 CO -0.16 0.19 -0.20 -0.74 0.02 0.00 0.00 177.57 176.68 1xn5 h HIS 118 N 0.10 -0.48 -0.10 1.57 6.17 0.24 1.07 115.15 123.71 1xn5 h HIS 118 Ca 0.06 0.05 -0.04 0.00 0.71 0.00 0.00 60.37 61.15 1xn5 h HIS 118 Cb 0.25 0.29 -0.00 0.00 2.52 0.00 0.00 27.41 30.47 1xn5 h HIS 118 CO 0.01 -0.29 -0.08 0.93 0.71 0.00 0.00 177.93 179.21 1xn5 h GLU 119 N -0.08 0.24 0.18 5.26 5.08 -0.71 0.37 114.58 124.92 1xn5 h GLU 119 Ca 0.24 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1xn5 h GLU 119 Cb 0.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1xn5 h GLU 119 CO -0.56 0.64 -0.29 0.00 -1.00 0.00 0.00 179.01 177.80 1xn5 h ARG 120 N -0.15 -0.48 -0.60 2.33 3.08 0.13 1.00 114.38 119.69 1xn5 h ARG 120 Ca 0.02 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.16 1xn5 h ARG 120 Cb 0.58 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.71 1xn5 h ARG 120 CO 0.02 -0.32 0.40 0.52 -1.07 0.00 0.00 179.97 179.52 1xn5 h MET 121 N -0.50 0.56 0.23 0.04 2.86 0.11 -1.62 114.93 116.59 1xn5 h MET 121 Ca -0.02 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1xn5 h MET 121 Cb 0.46 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1xn5 h MET 121 CO -0.10 0.37 -0.11 0.22 1.06 0.00 0.00 176.91 178.36 1xn5 h ASP 122 N 0.58 -0.26 0.11 1.22 1.82 -0.21 0.14 116.42 119.82 1xn5 h ASP 122 Ca 0.26 -0.14 0.01 0.00 -0.39 0.00 0.00 57.03 56.77 1xn5 h ASP 122 Cb 0.29 0.07 -0.05 0.00 0.68 0.00 0.00 39.33 40.32 1xn5 h ASP 122 CO -0.08 -0.00 -0.51 0.03 -1.61 0.00 0.00 179.24 177.07 1xn5 h ARG 123 N -0.51 -0.70 -0.33 0.28 3.08 0.17 0.27 114.38 116.64 1xn5 h ARG 123 Ca -0.03 0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.15 1xn5 h ARG 123 Cb 0.38 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1xn5 h ARG 123 CO 0.05 -0.46 0.23 0.78 -1.07 0.00 0.00 179.97 179.50 1xn5 h GLY 124 N -0.72 0.06 0.98 0.04 0.00 -1.34 0.93 103.07 103.03 1xn5 h GLY 124 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1xn5 h GLY 124 CO -0.28 0.01 0.07 1.49 0.00 0.00 0.00 176.54 177.84 1xn5 h TRP 125 N 0.05 0.14 0.07 5.60 4.06 0.12 0.95 115.95 126.94 1xn5 h TRP 125 Ca 0.16 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.11 1xn5 h TRP 125 Cb 0.56 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 28.68 1xn5 h TRP 125 CO -0.00 0.09 -0.03 1.25 -3.56 0.00 0.00 178.44 176.18 1xn5 h HIS 126 N 0.16 -0.09 -0.73 0.49 2.76 0.34 -1.25 115.15 116.83 1xn5 h HIS 126 Ca 0.05 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.36 1xn5 h HIS 126 Cb -0.01 0.03 -0.05 0.00 1.55 0.00 0.00 27.41 28.93 1xn5 h HIS 126 CO -0.08 0.28 0.49 -0.44 -1.30 0.00 0.00 177.93 176.88 1xn5 h ASP 127 N -0.47 0.39 0.31 3.26 3.32 -0.70 0.23 116.42 122.75 1xn5 h ASP 127 Ca -0.01 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1xn5 h ASP 127 Cb 0.41 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1xn5 h ASP 127 CO 0.02 0.21 -0.15 0.25 -1.72 0.00 0.00 179.24 177.85 1xn5 h LEU 128 N 0.42 -0.35 -3.52 1.55 5.85 0.12 -2.95 115.31 116.43 1xn5 h LEU 128 Ca 0.36 -0.17 -0.38 0.00 0.84 0.00 0.00 57.88 58.53 1xn5 h LEU 128 Cb 0.79 0.09 -0.17 0.00 0.37 0.00 0.00 40.66 41.75 1xn5 h LEU 128 CO -0.11 0.00 0.49 0.55 -0.34 0.00 0.00 178.44 179.03 1xn5 n VAL 129 N -5.14 2.86 0.03 1.05 3.14 -0.49 -1.12 118.33 118.66 1xn5 n VAL 129 Ca -0.10 -1.79 -0.00 0.00 -2.96 0.00 0.00 64.34 59.49 1xn5 n VAL 129 Cb 0.26 -1.24 -0.00 0.00 -1.06 0.00 0.00 33.84 31.80 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 0.06 0.69 0.00 6.55 5.03 0.69 -4.62 115.26 123.66 1xn5 n ASN 130 Ca 0.36 0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.89 1xn5 n ASN 130 Cb 0.66 -0.21 0.00 0.00 -1.02 0.00 0.00 39.78 39.21 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 -3.12 0.22 -0.29 3.52 -0.00 -1.17 -4.26 120.64 115.53 1xn5 n GLU 131 Ca -0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.16 57.30 1xn5 n GLU 131 Cb 0.00 -0.93 0.39 0.00 -0.00 0.00 0.00 31.44 30.90 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 0.63 0.10 3.44 2.47 -1.57 0.77 114.38 120.21 1xn5 h ARG 132 Ca 0.00 -0.04 -0.19 0.00 -1.26 0.00 0.00 59.98 58.49 1xn5 h ARG 132 Cb 0.86 -0.14 0.01 0.00 -1.65 0.00 0.00 29.97 29.05 1xn5 h ARG 132 CO 0.00 0.42 -0.91 1.25 0.56 0.00 0.00 179.97 181.29 1xn5 h LEU 133 N 0.65 0.32 -1.62 3.04 5.85 -1.40 -3.31 115.31 118.84 1xn5 h LEU 133 Ca 0.50 -0.89 0.13 0.00 0.84 0.00 0.00 57.88 58.46 1xn5 h LEU 133 Cb 0.90 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 1xn5 h LEU 133 CO -0.25 1.41 0.46 -0.09 -0.34 0.00 0.00 178.44 179.63 1xn5 h ARG 134 N -0.51 0.38 0.00 1.25 2.43 -1.47 0.68 114.38 117.15 1xn5 h ARG 134 Ca -0.19 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1xn5 h ARG 134 Cb 1.55 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.01 1xn5 h ARG 134 CO 0.07 0.25 0.00 0.94 -1.51 0.00 0.00 179.97 179.72 1xn5 n GLN 135 N -4.47 0.03 0.11 0.20 7.27 0.26 0.18 117.38 120.96 1xn5 n GLN 135 Ca 0.12 0.41 0.00 0.00 0.07 0.00 0.00 57.00 57.60 1xn5 n GLN 135 Cb 0.47 -1.58 -0.01 0.00 2.41 0.00 0.00 30.24 31.53 1xn5 n GLN 135 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1xn5 h ILE 136 N 0.00 0.97 0.00 1.69 1.08 0.24 -3.32 117.51 118.18 1xn5 h ILE 136 Ca 0.00 -2.41 -0.06 0.00 -0.39 0.00 0.00 64.86 62.00 1xn5 h ILE 136 Cb 0.14 2.46 -0.01 0.00 -3.07 0.00 0.00 36.82 36.33 1xn5 h ILE 136 CO 0.00 0.55 -1.54 1.33 -0.69 0.00 0.00 178.15 177.81 1xn5 n VAL 137 N -3.21 0.23 1.19 1.67 0.24 0.04 -5.04 118.33 113.45 1xn5 n VAL 137 Ca 0.00 -0.30 0.13 0.00 -2.04 0.00 0.00 64.34 62.13 1xn5 n VAL 137 Cb 0.78 -0.10 0.26 0.00 -1.47 0.00 0.00 33.84 33.32 1xn5 n VAL 137 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07