#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 -1.39 1.12 -2.24 -1.26 -5.04 114.28 105.47 1xn5 n THR 2 Ca 0.00 -1.91 0.00 0.00 -2.27 0.00 0.00 64.05 59.87 1xn5 n THR 2 Cb 0.00 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1xn5 n THR 2 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xn5 n ARG 3 N -1.78 -3.65 -1.74 -0.78 1.74 -1.26 -4.71 116.66 104.48 1xn5 n ARG 3 Ca 0.02 2.83 -0.42 0.00 -0.77 0.00 0.00 57.85 59.51 1xn5 n ARG 3 Cb 0.56 -3.54 -0.03 0.00 -1.02 0.00 0.00 32.46 28.43 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 -5.09 4.40 0.00 0.55 1.43 -1.25 -4.85 118.68 113.87 1xn5 s LEU 4 Ca 0.00 2.67 -0.04 0.00 -1.03 0.00 0.00 54.13 55.73 1xn5 s LEU 4 Cb 0.00 -3.55 0.05 0.00 0.03 0.00 0.00 46.19 42.72 1xn5 s LEU 4 CO 0.00 -1.01 0.25 -0.81 0.23 0.00 0.00 176.35 175.01 1xn5 n PRO 5 N 6.43 -0.84 -3.09 1.29 -0.04 -1.26 -4.88 135.00 132.61 1xn5 n PRO 5 Ca 0.18 -0.39 -0.34 0.00 -0.04 0.00 0.00 63.50 62.91 1xn5 n PRO 5 Cb 0.40 -0.31 -0.06 0.00 -0.04 0.00 0.00 33.50 33.49 1xn5 n PRO 5 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xn5 s ASP 6 N -2.05 6.94 -1.34 3.54 1.01 -1.26 -4.92 116.67 118.59 1xn5 s ASP 6 Ca 0.15 1.39 -0.09 0.00 0.71 0.00 0.00 52.55 54.71 1xn5 s ASP 6 Cb -0.01 -2.41 0.12 0.00 1.01 0.00 0.00 42.92 41.63 1xn5 s ASP 6 CO 0.11 -0.09 2.14 -0.38 0.21 0.00 0.00 175.17 177.16 1xn5 n ILE 7 N 0.20 4.49 -3.48 0.77 5.41 0.62 -4.94 119.36 122.42 1xn5 n ILE 7 Ca 0.01 -4.08 -0.37 0.00 1.00 0.00 0.00 62.75 59.31 1xn5 n ILE 7 Cb 0.52 -2.33 -0.07 0.00 -0.71 0.00 0.00 39.64 37.05 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 0.42 4.24 0.12 0.38 2.20 -1.26 -1.95 119.74 123.88 1xn5 s LYS 8 Ca 0.47 0.13 0.00 0.00 -0.36 0.00 0.00 55.97 56.21 1xn5 s LYS 8 Cb 0.13 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 1xn5 s LYS 8 CO -0.04 0.15 0.00 0.15 -0.36 0.00 0.00 175.35 175.25 1xn5 s LYS 9 N 0.73 0.89 -0.11 4.03 3.01 -0.24 -4.99 119.74 123.05 1xn5 s LYS 9 Ca 0.17 -1.40 -0.06 0.00 -1.01 0.00 0.00 55.97 53.67 1xn5 s LYS 9 Cb -0.14 0.04 0.04 0.00 -1.01 0.00 0.00 37.83 36.76 1xn5 s LYS 9 CO 0.05 -0.15 0.27 -2.00 0.51 0.00 0.00 175.35 174.03 1xn5 s GLU 10 N -3.95 0.25 0.05 1.68 -6.30 -1.26 -0.41 118.70 108.75 1xn5 s GLU 10 Ca 0.18 0.53 0.00 0.00 -2.50 0.00 0.00 54.97 53.18 1xn5 s GLU 10 Cb 0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 34.13 34.11 1xn5 s GLU 10 CO -0.01 -0.14 -0.04 0.14 0.02 0.00 0.00 175.26 175.22 1xn5 s VAL 11 N 1.06 0.34 -0.07 3.70 -7.23 -0.35 -5.03 120.40 112.82 1xn5 s VAL 11 Ca -0.08 -1.50 0.05 0.00 -1.81 0.00 0.00 61.98 58.65 1xn5 s VAL 11 Cb -0.08 -1.09 -0.00 0.00 0.56 0.00 0.00 36.38 35.76 1xn5 s VAL 11 CO -0.07 -0.75 -0.22 -0.60 -0.31 0.00 0.00 175.10 173.14 1xn5 s ARG 12 N -2.92 2.49 0.09 4.82 3.52 -1.26 -1.39 118.95 124.30 1xn5 s ARG 12 Ca -0.00 -0.80 0.06 0.00 -0.13 0.00 0.00 55.73 54.86 1xn5 s ARG 12 Cb 0.00 -2.03 -0.03 0.00 -1.56 0.00 0.00 34.95 31.33 1xn5 s ARG 12 CO -0.05 0.26 -0.16 -0.06 -0.81 0.00 0.00 175.30 174.48 1xn5 s PHE 13 N 0.11 1.42 -0.68 5.12 0.08 -0.99 -5.03 117.98 118.00 1xn5 s PHE 13 Ca -0.10 -0.45 -0.20 0.00 0.12 0.00 0.00 56.93 56.30 1xn5 s PHE 13 Cb -0.15 -0.79 0.10 0.00 -0.57 0.00 0.00 43.02 41.61 1xn5 s PHE 13 CO 0.05 0.11 0.89 -0.80 -0.10 0.00 0.00 175.22 175.37 1xn5 s ASN 14 N -1.85 6.27 -0.17 1.36 0.01 -1.26 -1.98 114.94 117.32 1xn5 s ASN 14 Ca 0.02 -1.39 -0.35 0.00 -0.71 0.00 0.00 52.86 50.43 1xn5 s ASN 14 Cb -0.10 -2.36 0.14 0.00 0.41 0.00 0.00 41.25 39.34 1xn5 s ASN 14 CO 0.03 -1.23 1.31 0.00 -1.51 0.00 0.00 177.10 175.70 1xn5 s ALA 15 N 3.19 -2.20 0.11 0.60 0.00 -1.26 -4.87 121.76 117.33 1xn5 s ALA 15 Ca 0.20 1.44 -0.30 0.00 0.00 0.00 0.00 51.96 53.29 1xn5 s ALA 15 Cb -0.17 -0.07 -0.06 0.00 0.00 0.00 0.00 23.12 22.82 1xn5 s ALA 15 CO 0.05 -0.73 1.14 -1.25 0.00 0.00 0.00 175.76 174.97 1xn5 s PRO 16 N -2.25 4.51 0.59 0.00 0.04 -1.26 -3.44 135.00 133.19 1xn5 s PRO 16 Ca 0.12 1.73 0.29 0.00 0.04 0.00 0.00 61.00 63.18 1xn5 s PRO 16 Cb 0.01 -3.32 1.60 0.00 0.04 0.00 0.00 34.50 32.83 1xn5 s PRO 16 CO -0.04 -0.10 2.02 0.97 0.04 0.00 0.00 177.00 179.89 1xn5 h ILE 17 N 4.17 0.40 0.00 0.56 2.10 -1.98 0.70 117.51 123.46 1xn5 h ILE 17 Ca -0.43 0.00 -0.05 0.00 1.08 0.00 0.00 64.86 65.46 1xn5 h ILE 17 Cb 1.21 0.75 -0.01 0.00 -1.09 0.00 0.00 36.82 37.69 1xn5 h ILE 17 CO 0.77 0.00 -0.22 -0.08 -1.08 0.00 0.00 178.15 177.53 1xn5 h GLU 18 N 0.00 0.00 0.00 2.19 4.22 -1.98 0.45 114.58 119.46 1xn5 h GLU 18 Ca 0.13 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.52 1xn5 h GLU 18 Cb 0.74 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1xn5 h GLU 18 CO -0.00 0.22 -0.42 -0.22 -2.18 0.00 0.00 179.01 176.42 1xn5 h LYS 19 N 0.00 0.00 -0.99 1.92 3.64 0.02 -3.06 116.57 118.10 1xn5 h LYS 19 Ca -0.00 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 1xn5 h LYS 19 Cb 0.52 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.26 1xn5 h LYS 19 CO 0.03 0.40 0.63 0.28 -2.27 0.00 0.00 179.45 178.52 1xn5 h VAL 20 N -1.00 1.03 0.26 2.00 2.07 -1.36 0.33 116.25 119.58 1xn5 h VAL 20 Ca -0.07 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1xn5 h VAL 20 Cb 0.62 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1xn5 h VAL 20 CO -0.04 0.20 -0.27 -0.25 0.02 0.00 0.00 177.57 177.22 1xn5 h TRP 21 N 1.10 -0.73 0.00 1.57 -0.00 -0.25 0.13 115.95 117.78 1xn5 h TRP 21 Ca 0.45 0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 59.34 1xn5 h TRP 21 Cb 0.27 0.28 -0.00 0.00 -0.00 0.00 0.00 29.16 29.72 1xn5 h TRP 21 CO -0.01 -0.39 -0.04 0.93 -0.00 0.00 0.00 178.44 178.93 1xn5 h GLU 22 N -0.57 0.00 0.00 2.65 5.08 -1.18 0.48 114.58 121.04 1xn5 h GLU 22 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xn5 h GLU 22 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1xn5 h GLU 22 CO -0.07 0.04 0.00 0.00 -1.00 0.00 0.00 179.01 177.99 1xn5 h ALA 23 N 1.96 1.00 -0.00 3.43 0.00 0.16 -2.08 119.26 123.72 1xn5 h ALA 23 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xn5 h ALA 23 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1xn5 h ALA 23 CO 0.01 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.59 1xn5 n VAL 24 N -2.38 1.22 -0.03 0.00 0.24 0.96 -2.18 118.33 116.16 1xn5 n VAL 24 Ca 0.05 -1.31 -0.04 0.00 -2.04 0.00 0.00 64.34 61.00 1xn5 n VAL 24 Cb 0.40 0.32 -0.05 0.00 -1.47 0.00 0.00 33.84 33.04 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 -0.73 3.42 -4.99 -1.34 3.41 0.13 -4.94 113.62 108.58 1xn5 n SER 25 Ca 0.04 -0.01 -0.19 0.00 -0.26 0.00 0.00 58.87 58.45 1xn5 n SER 25 Cb 0.35 0.53 0.00 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 -2.16 3.88 -0.07 6.66 -4.23 -0.80 -2.59 115.64 116.33 1xn5 s THR 26 Ca -0.04 -0.94 -0.21 0.00 -1.18 0.00 0.00 61.69 59.31 1xn5 s THR 26 Cb 0.02 -3.35 -0.30 0.00 1.34 0.00 0.00 72.50 70.22 1xn5 s THR 26 CO 0.25 -0.15 0.79 0.28 -0.54 0.00 0.00 174.62 175.25 1xn5 h SER 27 N 0.79 0.39 -0.51 3.99 0.02 -1.86 -2.28 113.55 114.09 1xn5 h SER 27 Ca -0.45 -0.92 0.01 0.00 -0.84 0.00 0.00 61.79 59.58 1xn5 h SER 27 Cb 1.26 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.65 1xn5 h SER 27 CO 0.52 1.40 0.34 -0.08 -1.14 0.00 0.00 176.83 177.87 1xn5 h GLU 28 N -0.44 0.67 0.03 3.45 4.22 -1.92 1.39 114.58 121.98 1xn5 h GLU 28 Ca -0.17 -0.04 -0.25 0.00 0.08 0.00 0.00 59.36 58.98 1xn5 h GLU 28 Cb 1.59 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 30.70 1xn5 h GLU 28 CO 0.11 0.44 -1.03 0.78 -2.18 0.00 0.00 179.01 177.13 1xn5 h GLY 29 N 0.69 0.53 0.23 1.92 0.00 -1.80 -2.67 103.07 101.98 1xn5 h GLY 29 Ca 0.19 -0.98 -0.01 0.00 0.00 0.00 0.00 47.33 46.53 1xn5 h GLY 29 CO -0.04 0.87 -0.06 1.41 0.00 0.00 0.00 176.54 178.71 1xn5 h LEU 30 N 0.25 -0.15 -1.95 3.11 3.38 -0.74 -3.11 115.31 116.10 1xn5 h LEU 30 Ca -0.11 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1xn5 h LEU 30 Cb 1.68 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1xn5 h LEU 30 CO 0.18 0.45 0.30 0.00 0.09 0.00 0.00 178.44 179.46 1xn5 h ALA 31 N -0.51 1.30 0.00 1.53 0.00 0.20 1.77 119.26 123.55 1xn5 h ALA 31 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xn5 h ALA 31 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1xn5 h ALA 31 CO 0.03 -0.30 -0.02 0.35 0.00 0.00 0.00 179.25 179.31 1xn5 h PHE 32 N 0.00 0.00 0.00 0.00 3.04 -1.40 -3.34 116.94 115.24 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 0.61 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.12 1xn5 h PHE 32 CO 0.00 0.02 -0.21 -2.67 -2.02 0.00 0.00 178.31 173.43 1xn5 n TRP 33 N -3.29 0.00 0.00 0.41 4.27 0.17 -4.96 117.44 114.04 1xn5 n TRP 33 Ca -0.02 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.59 1xn5 n TRP 33 Cb 0.14 0.37 0.00 0.00 -1.36 0.00 0.00 31.31 30.46 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 -2.55 0.00 -3.60 -2.67 7.35 0.55 -5.02 117.46 111.51 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 0.11 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 39.92 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 -0.04 0.46 0.34 -4.13 -1.94 -1.23 -4.87 119.30 107.90 1xn5 s MET 35 Ca 0.00 -0.21 -0.28 0.00 -1.71 0.00 0.00 55.69 53.49 1xn5 s MET 35 Cb 0.00 0.19 -0.12 0.00 2.01 0.00 0.00 34.83 36.91 1xn5 s MET 35 CO 0.00 -0.21 1.31 0.39 -0.01 0.00 0.00 175.02 176.50 1xn5 n GLU 36 N -0.25 2.16 -3.33 2.03 1.02 -1.26 -2.84 120.64 118.16 1xn5 n GLU 36 Ca -0.04 0.76 -0.05 0.00 -0.02 0.00 0.00 57.16 57.81 1xn5 n GLU 36 Cb 0.60 -2.35 0.02 0.00 -0.02 0.00 0.00 31.44 29.69 1xn5 n GLU 36 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1xn5 n ASN 37 N 0.84 -1.64 -0.05 1.62 0.23 -1.26 -2.16 115.26 112.83 1xn5 n ASN 37 Ca 0.05 -2.02 0.03 0.00 -0.53 0.00 0.00 54.58 52.11 1xn5 n ASN 37 Cb 0.36 2.71 0.04 0.00 -2.08 0.00 0.00 39.78 40.80 1xn5 n ASN 37 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1xn5 n ASP 38 N -1.30 1.65 -4.36 0.53 9.92 -1.19 -4.76 116.55 117.04 1xn5 n ASP 38 Ca -0.05 -2.13 -0.37 0.00 -0.53 0.00 0.00 54.79 51.72 1xn5 n ASP 38 Cb 0.48 -0.12 0.05 0.00 -0.64 0.00 0.00 41.12 40.88 1xn5 n ASP 38 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1xn5 n LEU 39 N -0.63 -1.01 -0.78 0.64 7.94 -1.26 -4.91 117.00 116.99 1xn5 n LEU 39 Ca 0.04 0.57 -0.00 0.00 -1.11 0.00 0.00 56.01 55.51 1xn5 n LEU 39 Cb 0.42 -1.07 -0.01 0.00 0.53 0.00 0.00 43.42 43.29 1xn5 n LEU 39 CO 0.00 -3.84 0.23 1.17 -1.11 0.00 0.00 177.39 173.84 1xn5 n LYS 40 N 0.22 0.00 -3.61 1.96 4.81 -1.25 -3.80 118.16 116.48 1xn5 n LYS 40 Ca 0.08 -0.93 -0.23 0.00 -0.87 0.00 0.00 58.31 56.36 1xn5 n LYS 40 Cb 0.50 -0.11 0.01 0.00 0.02 0.00 0.00 35.03 35.46 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 0.10 -2.65 -3.34 3.14 0.00 -1.07 -4.97 120.51 111.72 1xn5 n ALA 41 Ca -0.03 -0.23 -0.07 0.00 0.00 0.00 0.00 53.44 53.12 1xn5 n ALA 41 Cb 0.74 -2.05 -0.07 0.00 0.00 0.00 0.00 19.45 18.07 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 -4.99 0.39 0.26 0.00 2.12 -1.26 -4.96 118.70 110.24 1xn5 s GLU 42 Ca 0.18 0.66 -0.29 0.00 0.36 0.00 0.00 54.97 55.88 1xn5 s GLU 42 Cb -0.07 -0.23 -0.14 0.00 0.26 0.00 0.00 34.13 33.94 1xn5 s GLU 42 CO 0.86 -0.61 1.04 -2.37 -0.54 0.00 0.00 175.26 173.65 1xn5 n THR 43 N 5.38 1.69 -2.96 -1.70 5.66 -1.26 -1.66 114.28 119.43 1xn5 n THR 43 Ca -0.04 -0.42 -0.14 0.00 -3.05 0.00 0.00 64.05 60.40 1xn5 n THR 43 Cb 0.50 -0.95 0.04 0.00 -1.55 0.00 0.00 70.33 68.37 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 1.48 -0.00 2.72 1.09 0.00 -0.68 -4.96 105.19 104.84 1xn5 n GLY 44 Ca 0.11 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.03 3.58 -1.34 1.61 -0.00 -0.67 -4.97 115.22 109.41 1xn5 n HIS 45 Ca -0.03 -3.74 -0.54 0.00 -0.00 0.00 0.00 57.72 53.42 1xn5 n HIS 45 Cb 0.55 -0.68 -0.12 0.00 -0.00 0.00 0.00 29.99 29.75 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 0.33 1.08 -5.07 1.57 1.44 -1.26 -4.39 115.22 108.91 1xn5 n HIS 46 Ca 0.32 0.60 -0.32 0.00 -2.01 0.00 0.00 57.72 56.31 1xn5 n HIS 46 Cb 0.38 -2.35 -0.14 0.00 0.12 0.00 0.00 29.99 27.99 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 7.01 2.55 0.63 -1.40 -0.71 0.19 -4.95 117.98 121.31 1xn5 s PHE 47 Ca 1.22 -0.34 -0.12 0.00 -1.04 0.00 0.00 56.93 56.65 1xn5 s PHE 47 Cb -1.34 -1.59 -0.03 0.00 -1.21 0.00 0.00 43.02 38.85 1xn5 s PHE 47 CO 0.59 0.05 1.04 -1.01 -1.34 0.00 0.00 175.22 174.54 1xn5 s HIS 48 N -0.57 3.37 -0.06 3.49 3.76 -1.26 0.63 115.29 124.64 1xn5 s HIS 48 Ca 0.08 1.38 0.02 0.00 -0.15 0.00 0.00 55.06 56.39 1xn5 s HIS 48 Cb -0.11 -2.81 0.02 0.00 1.11 0.00 0.00 32.58 30.79 1xn5 s HIS 48 CO 0.01 -0.87 -0.10 -1.17 -0.85 0.00 0.00 174.74 171.75 1xn5 s LEU 49 N -5.10 1.54 -1.12 0.89 2.96 -0.49 -3.16 118.68 114.20 1xn5 s LEU 49 Ca 0.57 -0.25 -0.07 0.00 -0.22 0.00 0.00 54.13 54.16 1xn5 s LEU 49 Cb -0.12 -0.72 0.28 0.00 0.50 0.00 0.00 46.19 46.12 1xn5 s LEU 49 CO 0.50 0.00 1.34 0.00 -1.32 0.00 0.00 176.35 176.87 1xn5 n GLN 50 N 3.91 3.91 -2.33 1.98 1.13 -0.92 -2.25 117.38 122.81 1xn5 n GLN 50 Ca -0.23 -4.38 -0.24 0.00 -1.94 0.00 0.00 57.00 50.20 1xn5 n GLN 50 Cb 0.51 -2.60 0.06 0.00 0.11 0.00 0.00 30.24 28.33 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 0.18 4.88 -0.05 1.08 1.04 -1.26 -4.32 113.70 115.25 1xn5 s SER 51 Ca 0.33 0.28 -0.25 0.00 0.48 0.00 0.00 55.95 56.79 1xn5 s SER 51 Cb -0.02 -0.97 -0.23 0.00 0.10 0.00 0.00 66.02 64.90 1xn5 s SER 51 CO 0.01 -1.51 1.06 1.55 0.98 0.00 0.00 173.24 175.32 1xn5 h PRO 52 N -0.43 0.14 -2.61 4.02 0.13 -2.01 -3.33 132.00 127.90 1xn5 h PRO 52 Ca -0.43 -0.13 -0.33 0.00 -0.87 0.00 0.00 66.00 64.23 1xn5 h PRO 52 Cb 1.31 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 1xn5 h PRO 52 CO 0.57 0.85 1.36 1.19 -0.23 0.00 0.00 178.00 181.74 1xn5 n PHE 53 N -4.58 0.89 -0.27 1.56 3.72 -1.26 -4.83 117.46 112.69 1xn5 n PHE 53 Ca -0.09 -1.87 0.00 0.00 -0.05 0.00 0.00 57.45 55.43 1xn5 n PHE 53 Cb 0.45 -1.74 0.00 0.00 -0.94 0.00 0.00 39.48 37.25 1xn5 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xn5 n GLY 54 N 3.06 -3.02 3.78 1.37 0.00 -1.25 -4.94 105.19 104.19 1xn5 n GLY 54 Ca 0.49 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 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 -4.25 4.21 -0.01 1.61 0.04 -1.26 -4.18 135.00 131.15 1xn5 s PRO 55 Ca 0.00 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1xn5 s PRO 55 Cb 0.00 -2.61 0.02 0.00 0.04 0.00 0.00 34.50 31.95 1xn5 s PRO 55 CO 0.00 -0.11 0.01 -1.12 0.04 0.00 0.00 177.00 175.82 1xn5 s SER 56 N -1.48 0.17 -0.23 6.66 0.01 -0.95 -4.98 113.70 112.90 1xn5 s SER 56 Ca 0.56 -0.00 -0.29 0.00 1.31 0.00 0.00 55.95 57.53 1xn5 s SER 56 Cb -0.23 -0.08 -0.01 0.00 0.21 0.00 0.00 66.02 65.91 1xn5 s SER 56 CO 0.29 -0.06 1.31 -2.16 0.41 0.00 0.00 173.24 173.03 1xn5 s PRO 57 N 0.60 4.06 0.22 12.44 0.04 -1.26 -1.40 135.00 149.69 1xn5 s PRO 57 Ca -0.05 1.49 0.05 0.00 0.04 0.00 0.00 61.00 62.52 1xn5 s PRO 57 Cb -0.08 -3.84 -0.03 0.00 0.04 0.00 0.00 34.50 30.59 1xn5 s PRO 57 CO -0.01 -0.93 0.31 0.00 0.04 0.00 0.00 177.00 176.40 1xn5 s GLN 59 N -3.74 0.40 -0.03 0.00 -0.44 -0.95 0.57 119.66 115.48 1xn5 s GLN 59 Ca 0.34 0.17 -0.16 0.00 -2.50 0.00 0.00 55.36 53.21 1xn5 s GLN 59 Cb -0.09 0.19 -0.05 0.00 -1.64 0.00 0.00 33.01 31.41 1xn5 s GLN 59 CO 0.28 -0.07 0.43 0.08 0.50 0.00 0.00 175.29 176.50 1xn5 s VAL 60 N -0.33 5.07 -0.13 1.34 1.01 -1.26 0.17 120.40 126.26 1xn5 s VAL 60 Ca -0.04 0.87 0.09 0.00 0.00 0.00 0.00 61.98 62.89 1xn5 s VAL 60 Cb -0.03 -3.74 -0.14 0.00 0.00 0.00 0.00 36.38 32.46 1xn5 s VAL 60 CO 0.01 0.50 0.01 0.35 0.00 0.00 0.00 175.10 175.97 1xn5 n THR 61 N 2.38 0.84 -3.68 3.92 -2.24 -1.20 -1.69 114.28 112.61 1xn5 n THR 61 Ca -0.12 -0.48 -0.11 0.00 -2.27 0.00 0.00 64.05 61.07 1xn5 n THR 61 Cb 0.52 -0.75 -0.09 0.00 -2.10 0.00 0.00 70.33 67.91 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 -4.69 -0.63 -0.30 3.42 -1.08 -1.25 -4.75 116.67 107.39 1xn5 s ASP 62 Ca -0.09 1.11 -0.03 0.00 -0.52 0.00 0.00 52.55 53.02 1xn5 s ASP 62 Cb 0.04 1.04 0.19 0.00 -1.46 0.00 0.00 42.92 42.72 1xn5 s ASP 62 CO 0.47 -0.20 0.69 0.54 0.52 0.00 0.00 175.17 177.19 1xn5 s VAL 63 N 1.03 -0.86 -0.28 1.11 0.11 -1.26 -0.70 120.40 119.55 1xn5 s VAL 63 Ca -0.06 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.00 1xn5 s VAL 63 Cb -0.06 -0.99 0.17 0.00 -1.53 0.00 0.00 36.38 33.96 1xn5 s VAL 63 CO -0.09 0.00 0.47 -0.70 -3.33 0.00 0.00 175.10 171.45 1xn5 s GLU 64 N 2.88 0.45 0.42 1.54 2.56 -0.99 -4.54 118.70 121.02 1xn5 s GLU 64 Ca 0.16 0.49 0.00 0.00 0.00 0.00 0.00 54.97 55.62 1xn5 s GLU 64 Cb -0.14 -0.08 0.00 0.00 2.00 0.00 0.00 34.13 35.91 1xn5 s GLU 64 CO -0.19 -0.85 0.00 0.54 -0.56 0.00 0.00 175.26 174.20 1xn5 n ARG 65 N 5.38 -2.61 -1.46 4.30 3.00 -1.26 -3.88 116.66 120.13 1xn5 n ARG 65 Ca -0.00 1.97 -0.42 0.00 -0.01 0.00 0.00 57.85 59.39 1xn5 n ARG 65 Cb 0.51 -3.20 -0.03 0.00 0.00 0.00 0.00 32.46 29.74 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 -3.93 2.14 0.00 5.56 -0.04 -1.26 -3.47 135.00 134.00 1xn5 n PRO 66 Ca -0.04 -2.23 0.00 0.00 -0.04 0.00 0.00 63.50 61.20 1xn5 n PRO 66 Cb 0.64 -3.11 0.00 0.00 -0.04 0.00 0.00 33.50 30.99 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 5.65 0.00 -3.72 0.52 -6.64 -1.25 -3.95 119.36 109.97 1xn5 n ILE 67 Ca 0.51 0.00 -0.20 0.00 -1.77 0.00 0.00 62.75 61.28 1xn5 n ILE 67 Cb 0.40 -0.23 -0.18 0.00 -1.44 0.00 0.00 39.64 38.20 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 -1.67 0.13 -0.12 6.28 2.20 -1.23 -3.79 119.74 121.54 1xn5 s LYS 68 Ca 0.00 0.28 -0.07 0.00 -0.36 0.00 0.00 55.97 55.82 1xn5 s LYS 68 Cb 0.00 -0.63 0.05 0.00 -1.51 0.00 0.00 37.83 35.74 1xn5 s LYS 68 CO 0.00 -0.31 0.29 -1.17 -0.36 0.00 0.00 175.35 173.80 1xn5 s LEU 69 N 2.01 0.40 0.05 5.43 2.96 -0.86 -2.35 118.68 126.33 1xn5 s LEU 69 Ca 0.04 0.61 -0.11 0.00 -0.22 0.00 0.00 54.13 54.44 1xn5 s LEU 69 Cb -0.12 0.90 0.01 0.00 0.50 0.00 0.00 46.19 47.48 1xn5 s LEU 69 CO -0.04 -0.16 0.25 -0.55 -1.32 0.00 0.00 176.35 174.53 1xn5 s SER 70 N 1.09 -0.03 -0.23 3.68 0.15 0.12 0.18 113.70 118.66 1xn5 s SER 70 Ca -0.08 -0.33 -0.20 0.00 0.70 0.00 0.00 55.95 56.04 1xn5 s SER 70 Cb -0.08 0.33 0.06 0.00 -1.71 0.00 0.00 66.02 64.62 1xn5 s SER 70 CO -0.08 -0.62 0.61 0.72 1.20 0.00 0.00 173.24 175.07 1xn5 s PHE 71 N -2.81 -0.71 0.38 3.44 -0.12 -1.11 -3.23 117.98 113.83 1xn5 s PHE 71 Ca -0.03 1.68 -0.12 0.00 -0.05 0.00 0.00 56.93 58.40 1xn5 s PHE 71 Cb 0.00 0.27 -0.07 0.00 -0.63 0.00 0.00 43.02 42.59 1xn5 s PHE 71 CO -0.05 -0.34 0.77 0.95 -0.05 0.00 0.00 175.22 176.49 1xn5 s THR 72 N 0.50 4.74 -0.11 -4.49 -4.23 0.44 -3.55 115.64 108.93 1xn5 s THR 72 Ca -0.01 0.75 0.03 0.00 -1.18 0.00 0.00 61.69 61.28 1xn5 s THR 72 Cb -0.05 -3.69 0.01 0.00 1.34 0.00 0.00 72.50 70.11 1xn5 s THR 72 CO -0.02 -0.42 -0.21 0.86 -0.54 0.00 0.00 174.62 174.29 1xn5 s TRP 73 N -2.26 2.40 0.35 3.99 -0.11 -1.20 -2.23 118.94 119.89 1xn5 s TRP 73 Ca 0.53 -1.06 0.00 0.00 1.22 0.00 0.00 56.10 56.78 1xn5 s TRP 73 Cb -0.10 -1.64 0.00 0.00 -1.50 0.00 0.00 33.47 30.23 1xn5 s TRP 73 CO 0.27 -0.46 0.00 -0.25 -4.62 0.00 0.00 176.95 171.88 1xn5 n ASP 74 N 3.78 -6.43 -0.30 5.86 8.00 -0.97 -3.72 116.55 122.77 1xn5 n ASP 74 Ca -0.20 0.73 0.13 0.00 0.71 0.00 0.00 54.79 56.17 1xn5 n ASP 74 Cb 0.52 -3.44 0.31 0.00 -0.02 0.00 0.00 41.12 38.49 1xn5 n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1xn5 h THR 75 N -1.02 0.45 -0.13 -3.53 1.35 -1.97 -3.42 112.91 104.64 1xn5 h THR 75 Ca -0.06 -0.13 0.27 0.00 -0.55 0.00 0.00 66.41 65.95 1xn5 h THR 75 Cb 1.00 0.05 -0.24 0.00 -1.73 0.00 0.00 68.15 67.23 1xn5 h THR 75 CO 0.03 0.07 0.40 -0.62 -0.25 0.00 0.00 175.52 175.15 1xn5 s ASP 76 N -5.15 -0.11 0.00 5.36 2.15 -1.26 -5.12 116.67 112.54 1xn5 s ASP 76 Ca -0.12 0.10 0.00 0.00 0.43 0.00 0.00 52.55 52.97 1xn5 s ASP 76 Cb 0.25 1.10 0.00 0.00 -0.30 0.00 0.00 42.92 43.98 1xn5 s ASP 76 CO 0.78 -0.02 0.00 0.61 -0.17 0.00 0.00 175.17 176.37 1xn5 n GLY 77 N 5.03 -0.78 3.74 2.66 0.00 -1.24 -5.11 105.19 109.48 1xn5 n GLY 77 Ca -0.08 0.52 -0.24 0.00 0.00 0.00 0.00 46.02 46.22 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 0.39 2.94 0.00 1.61 0.51 -1.26 -4.85 118.94 118.28 1xn5 s TRP 78 Ca 0.00 -0.14 0.00 0.00 -2.12 0.00 0.00 56.10 53.84 1xn5 s TRP 78 Cb 0.00 -1.34 -0.00 0.00 -0.81 0.00 0.00 33.47 31.31 1xn5 s TRP 78 CO 0.00 0.55 -0.01 -1.54 -0.51 0.00 0.00 176.95 175.45 1xn5 s SER 79 N -3.55 0.07 0.03 2.95 1.04 -1.01 -3.24 113.70 109.99 1xn5 s SER 79 Ca 0.31 -0.05 0.07 0.00 0.48 0.00 0.00 55.95 56.76 1xn5 s SER 79 Cb -0.08 0.00 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 1xn5 s SER 79 CO 0.22 -0.02 -0.21 0.54 0.98 0.00 0.00 173.24 174.75 1xn5 s VAL 80 N -0.13 1.69 -0.06 5.02 0.11 -1.23 -2.06 120.40 123.74 1xn5 s VAL 80 Ca -0.01 -1.14 0.03 0.00 -2.93 0.00 0.00 61.98 57.93 1xn5 s VAL 80 Cb -0.01 -1.45 0.01 0.00 -1.53 0.00 0.00 36.38 33.40 1xn5 s VAL 80 CO -0.00 0.28 -0.12 -0.89 -3.33 0.00 0.00 175.10 171.03 1xn5 s THR 81 N -0.73 1.13 0.11 5.04 2.01 0.11 -2.74 115.64 120.57 1xn5 s THR 81 Ca 0.08 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.60 1xn5 s THR 81 Cb -0.09 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 1xn5 s THR 81 CO 0.01 0.35 0.20 -0.36 -0.69 0.00 0.00 174.62 174.13 1xn5 s PHE 82 N 0.51 3.39 -0.18 4.92 0.08 0.49 -1.72 117.98 125.48 1xn5 s PHE 82 Ca -0.11 0.14 -0.04 0.00 0.12 0.00 0.00 56.93 57.03 1xn5 s PHE 82 Cb -0.14 -1.67 0.08 0.00 -0.57 0.00 0.00 43.02 40.72 1xn5 s PHE 82 CO 0.03 0.54 0.22 -1.01 -0.10 0.00 0.00 175.22 174.90 1xn5 s HIS 83 N -1.59 -0.29 0.20 0.36 3.76 -0.90 -2.02 115.29 114.80 1xn5 s HIS 83 Ca 0.33 0.39 0.06 0.00 -0.15 0.00 0.00 55.06 55.69 1xn5 s HIS 83 Cb -0.12 -0.30 -0.04 0.00 1.11 0.00 0.00 32.58 33.24 1xn5 s HIS 83 CO 0.26 -0.52 0.13 -0.51 -0.85 0.00 0.00 174.74 173.25 1xn5 s LEU 84 N 2.34 3.72 -0.30 0.89 1.02 -1.25 -0.74 118.68 124.35 1xn5 s LEU 84 Ca 0.06 -0.22 -0.10 0.00 0.02 0.00 0.00 54.13 53.88 1xn5 s LEU 84 Cb -0.15 -2.30 0.17 0.00 0.02 0.00 0.00 46.19 43.93 1xn5 s LEU 84 CO -0.11 0.04 0.88 -1.59 0.02 0.00 0.00 176.35 175.59 1xn5 s LYS 85 N -3.32 0.35 0.20 1.70 -2.85 -0.98 -3.91 119.74 110.93 1xn5 s LYS 85 Ca 0.31 0.69 -0.31 0.00 -1.00 0.00 0.00 55.97 55.67 1xn5 s LYS 85 Cb -0.09 0.40 -0.09 0.00 -2.06 0.00 0.00 37.83 35.98 1xn5 s LYS 85 CO 0.23 -0.30 1.43 -2.00 0.10 0.00 0.00 175.35 174.81 1xn5 s GLU 86 N 2.80 4.29 0.42 1.78 -6.30 -1.26 -1.28 118.70 119.15 1xn5 s GLU 86 Ca 0.05 2.23 0.01 0.00 -2.50 0.00 0.00 54.97 54.76 1xn5 s GLU 86 Cb -0.11 -3.16 -0.01 0.00 0.00 0.00 0.00 34.13 30.86 1xn5 s GLU 86 CO -0.16 -0.43 0.05 0.39 0.02 0.00 0.00 175.26 175.13 1xn5 n GLU 87 N 2.99 0.80 0.29 4.30 -0.58 0.45 -4.90 120.64 124.00 1xn5 n GLU 87 Ca 0.09 -3.20 -0.14 0.00 -0.42 0.00 0.00 57.16 53.49 1xn5 n GLU 87 Cb 0.41 1.18 -0.07 0.00 -0.57 0.00 0.00 31.44 32.38 1xn5 n GLU 87 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1xn5 h GLU 88 N 0.00 -0.74 -0.81 3.49 4.39 -2.00 -3.15 114.58 115.77 1xn5 h GLU 88 Ca -0.34 0.05 0.15 0.00 0.34 0.00 0.00 59.36 59.56 1xn5 h GLU 88 Cb 1.11 0.17 -0.10 0.00 -0.10 0.00 0.00 28.75 29.83 1xn5 h GLU 88 CO 0.55 -0.44 0.37 -0.91 -1.16 0.00 0.00 179.01 177.42 1xn5 h ASN 89 N -1.11 0.39 0.00 1.42 4.21 -1.98 -3.47 115.58 115.04 1xn5 h ASN 89 Ca -0.08 0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.54 1xn5 h ASN 89 Cb 0.64 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.90 1xn5 h ASN 89 CO 0.13 0.14 0.00 0.61 -1.29 0.00 0.00 177.43 177.02 1xn5 n GLY 90 N -1.33 -0.54 3.62 2.83 0.00 -1.19 -4.86 105.19 103.73 1xn5 n GLY 90 Ca 0.16 0.27 -0.32 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 3.76 -0.11 2.61 2.01 -0.84 0.17 115.64 123.25 1xn5 s THR 91 Ca 0.00 -0.79 -0.02 0.00 0.31 0.00 0.00 61.69 61.19 1xn5 s THR 91 Cb 0.00 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 1xn5 s THR 91 CO 0.00 0.35 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.63 1xn5 s ILE 92 N -1.06 4.11 -0.16 1.82 -1.09 -0.40 -2.36 121.20 122.06 1xn5 s ILE 92 Ca 0.19 -0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.30 1xn5 s ILE 92 Cb -0.11 -2.75 0.03 0.00 -1.58 0.00 0.00 42.46 38.05 1xn5 s ILE 92 CO 0.09 0.56 -0.11 0.12 -1.23 0.00 0.00 174.94 174.38 1xn5 s PHE 93 N -0.39 2.08 0.01 3.97 2.19 -0.48 -2.30 117.98 123.05 1xn5 s PHE 93 Ca 0.07 -1.26 0.04 0.00 0.33 0.00 0.00 56.93 56.11 1xn5 s PHE 93 Cb -0.12 -1.52 -0.03 0.00 -1.31 0.00 0.00 43.02 40.04 1xn5 s PHE 93 CO 0.02 -0.67 -0.08 0.99 1.83 0.00 0.00 175.22 177.31 1xn5 s THR 94 N 1.51 3.52 0.04 0.12 2.01 0.08 -1.21 115.64 121.70 1xn5 s THR 94 Ca 0.02 -0.84 0.06 0.00 0.31 0.00 0.00 61.69 61.25 1xn5 s THR 94 Cb -0.14 -2.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.82 1xn5 s THR 94 CO -0.09 0.39 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.53 1xn5 s ILE 95 N -0.99 1.46 -0.24 1.82 1.10 0.45 -2.12 121.20 122.68 1xn5 s ILE 95 Ca 0.17 -1.11 -0.02 0.00 -0.51 0.00 0.00 60.65 59.18 1xn5 s ILE 95 Cb -0.11 -1.28 0.12 0.00 0.15 0.00 0.00 42.46 41.34 1xn5 s ILE 95 CO 0.07 0.15 0.29 -0.69 -2.11 0.00 0.00 174.94 172.64 1xn5 s VAL 96 N -0.80 -0.42 -0.20 4.00 1.01 -0.70 -1.08 120.40 122.22 1xn5 s VAL 96 Ca 0.05 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1xn5 s VAL 96 Cb -0.08 -0.82 0.03 0.00 0.00 0.00 0.00 36.38 35.51 1xn5 s VAL 96 CO 0.01 -0.27 -0.16 -2.28 0.00 0.00 0.00 175.10 172.40 1xn5 s HIS 97 N 2.39 2.77 0.30 5.22 2.46 -0.82 0.07 115.29 127.69 1xn5 s HIS 97 Ca 0.09 -1.74 0.05 0.00 0.47 0.00 0.00 55.06 53.93 1xn5 s HIS 97 Cb -0.15 -1.85 -0.06 0.00 -0.13 0.00 0.00 32.58 30.39 1xn5 s HIS 97 CO -0.20 -0.80 0.01 -1.12 -2.47 0.00 0.00 174.74 170.16 1xn5 s SER 98 N 1.28 2.45 0.00 9.88 0.01 -0.88 -0.28 113.70 126.17 1xn5 s SER 98 Ca 0.01 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 55.97 1xn5 s SER 98 Cb -0.15 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 65.98 1xn5 s SER 98 CO -0.10 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 173.64 1xn5 n GLY 99 N -0.63 0.78 3.39 3.44 0.00 -1.26 -2.41 105.19 108.51 1xn5 n GLY 99 Ca -0.04 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 1xn5 n GLY 99 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xn5 s TRP 100 N -0.15 1.84 0.00 1.61 0.52 -1.26 -4.70 118.94 116.80 1xn5 s TRP 100 Ca 0.00 -0.67 0.00 0.00 0.02 0.00 0.00 56.10 55.45 1xn5 s TRP 100 Cb 0.00 -0.99 0.00 0.00 -1.15 0.00 0.00 33.47 31.33 1xn5 s TRP 100 CO 0.00 0.29 0.00 1.63 0.02 0.00 0.00 176.95 178.89 1xn5 n LYS 101 N -0.50 1.39 -1.60 4.98 5.02 -1.26 -4.94 118.16 121.26 1xn5 n LYS 101 Ca -0.06 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.84 1xn5 n LYS 101 Cb 0.62 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.67 1xn5 n LYS 101 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1xn5 n GLN 102 N -0.63 1.01 -1.57 1.97 7.27 -1.26 -3.79 117.38 120.39 1xn5 n GLN 102 Ca 0.00 0.38 -0.40 0.00 0.07 0.00 0.00 57.00 57.05 1xn5 n GLN 102 Cb 0.00 -2.08 -0.02 0.00 2.41 0.00 0.00 30.24 30.55 1xn5 n GLN 102 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1xn5 n GLY 103 N 1.31 4.58 1.34 1.69 0.00 -1.26 -3.51 105.19 109.33 1xn5 n GLY 103 Ca 0.12 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 3.10 0.00 -4.47 1.61 -0.08 -1.26 -4.90 116.55 110.54 1xn5 n ASP 104 Ca 0.72 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 53.71 1xn5 n ASP 104 Cb 0.24 0.27 0.25 0.00 2.34 0.00 0.00 41.12 44.23 1xn5 n ASP 104 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1xn5 n THR 105 N -2.17 0.00 -4.37 5.18 5.66 -1.23 -4.87 114.28 112.48 1xn5 n THR 105 Ca 0.00 -0.43 -0.30 0.00 -3.05 0.00 0.00 64.05 60.27 1xn5 n THR 105 Cb 0.00 -0.99 -0.11 0.00 -1.55 0.00 0.00 70.33 67.68 1xn5 n THR 105 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1xn5 s LYS 106 N -4.39 2.04 -0.43 1.09 2.20 -1.26 -2.93 119.74 116.06 1xn5 s LYS 106 Ca 0.68 -1.04 -0.29 0.00 -0.36 0.00 0.00 55.97 54.97 1xn5 s LYS 106 Cb -0.25 -2.23 0.03 0.00 -1.51 0.00 0.00 37.83 33.86 1xn5 s LYS 106 CO 0.65 0.51 1.10 0.08 -0.36 0.00 0.00 175.35 177.34 1xn5 s VAL 107 N -1.11 4.32 0.43 4.02 1.01 -1.13 -4.77 120.40 123.16 1xn5 s VAL 107 Ca 0.18 1.35 0.39 0.00 0.00 0.00 0.00 61.98 63.91 1xn5 s VAL 107 Cb -0.11 -4.54 0.39 0.00 0.00 0.00 0.00 36.38 32.13 1xn5 s VAL 107 CO 0.10 -0.83 2.19 1.05 0.00 0.00 0.00 175.10 177.60 1xn5 h GLU 108 N 8.86 0.00 -0.94 2.72 4.11 -1.97 -0.38 114.58 126.99 1xn5 h GLU 108 Ca -0.22 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.56 1xn5 h GLU 108 Cb 1.06 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 29.99 1xn5 h GLU 108 CO 1.09 0.00 0.51 1.17 0.07 0.00 0.00 179.01 181.85 1xn5 n LYS 109 N -2.88 2.86 0.00 1.06 4.81 -1.26 -4.82 118.16 117.94 1xn5 n LYS 109 Ca -0.02 -3.47 0.00 0.00 -0.87 0.00 0.00 58.31 53.95 1xn5 n LYS 109 Cb 0.07 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 32.84 1xn5 n LYS 109 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xn5 n ALA 110 N -0.88 0.00 -0.56 3.14 0.00 -0.15 -4.99 120.51 117.06 1xn5 n ALA 110 Ca 0.59 0.00 0.45 0.00 0.00 0.00 0.00 53.44 54.48 1xn5 n ALA 110 Cb 0.75 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.95 1xn5 n ALA 110 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1xn5 h GLY 111 N 0.00 0.55 -1.60 0.00 0.00 -1.88 -3.34 103.07 96.79 1xn5 h GLY 111 Ca 0.00 -0.05 -0.52 0.00 0.00 0.00 0.00 47.33 46.77 1xn5 h GLY 111 CO 0.00 -0.17 0.35 0.00 0.00 0.00 0.00 176.54 176.72 1xn5 s ALA 112 N -5.05 2.22 0.56 3.60 0.00 -1.26 -4.80 121.76 117.03 1xn5 s ALA 112 Ca -0.06 0.60 -0.09 0.00 0.00 0.00 0.00 51.96 52.41 1xn5 s ALA 112 Cb 0.28 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 1xn5 s ALA 112 CO 0.86 -1.70 0.93 -1.21 0.00 0.00 0.00 175.76 174.64 1xn5 s GLU 113 N -4.24 3.60 0.46 0.00 2.02 -1.26 -2.84 118.70 116.43 1xn5 s GLU 113 Ca 0.68 0.55 0.13 0.00 0.02 0.00 0.00 54.97 56.35 1xn5 s GLU 113 Cb -0.23 -2.20 1.07 0.00 0.10 0.00 0.00 34.13 32.87 1xn5 s GLU 113 CO 0.47 -0.41 2.06 0.66 0.02 0.00 0.00 175.26 178.07 1xn5 h SER 114 N -0.01 0.27 -0.03 -0.19 4.64 -1.83 0.35 113.55 116.74 1xn5 h SER 114 Ca -0.45 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.82 1xn5 h SER 114 Cb 1.20 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1xn5 h SER 114 CO 0.62 0.18 -0.16 0.00 -0.87 0.00 0.00 176.83 176.61 1xn5 h ALA 115 N 1.81 0.06 -0.29 5.18 0.00 -1.85 0.14 119.26 124.30 1xn5 h ALA 115 Ca 0.14 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1xn5 h ALA 115 Cb 0.18 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1xn5 h ALA 115 CO -0.03 0.01 0.14 0.28 0.00 0.00 0.00 179.25 179.64 1xn5 h VAL 116 N -0.43 0.98 -0.38 0.00 2.07 -1.72 0.33 116.25 117.09 1xn5 h VAL 116 Ca -0.01 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 1xn5 h VAL 116 Cb 0.82 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1xn5 h VAL 116 CO 0.03 0.05 -0.08 0.58 0.02 0.00 0.00 177.57 178.18 1xn5 h VAL 117 N 0.29 1.24 0.21 2.57 2.07 -0.38 0.48 116.25 122.74 1xn5 h VAL 117 Ca 0.12 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1xn5 h VAL 117 Cb 0.05 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1xn5 h VAL 117 CO -0.09 0.35 -0.20 -0.74 0.02 0.00 0.00 177.57 176.92 1xn5 h HIS 118 N 0.60 -0.51 -0.11 1.57 -0.00 0.34 0.42 115.15 117.46 1xn5 h HIS 118 Ca 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 1xn5 h HIS 118 Cb 0.50 0.20 -0.00 0.00 -0.00 0.00 0.00 27.41 28.10 1xn5 h HIS 118 CO 0.02 -0.29 0.04 0.93 -0.00 0.00 0.00 177.93 178.63 1xn5 h GLU 119 N -0.43 0.17 -0.10 5.26 5.08 -0.78 1.29 114.58 125.06 1xn5 h GLU 119 Ca -0.00 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1xn5 h GLU 119 Cb 0.40 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 1xn5 h GLU 119 CO -0.04 0.29 -0.29 0.00 -1.00 0.00 0.00 179.01 177.97 1xn5 h ARG 120 N 0.01 -0.36 -0.11 2.33 3.08 -0.69 0.88 114.38 119.51 1xn5 h ARG 120 Ca 0.04 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1xn5 h ARG 120 Cb 0.19 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1xn5 h ARG 120 CO -0.00 -0.24 -0.08 0.52 -1.07 0.00 0.00 179.97 179.10 1xn5 h MET 121 N -0.38 0.25 -0.12 0.04 2.86 -0.09 -0.91 114.93 116.60 1xn5 h MET 121 Ca 0.09 -0.12 0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1xn5 h MET 121 Cb 0.51 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.11 1xn5 h MET 121 CO -0.32 0.63 -0.29 0.22 1.06 0.00 0.00 176.91 178.22 1xn5 h ASP 122 N -0.12 -0.89 0.60 1.22 1.82 0.20 1.29 116.42 120.54 1xn5 h ASP 122 Ca 0.02 0.13 -0.02 0.00 -0.39 0.00 0.00 57.03 56.77 1xn5 h ASP 122 Cb 0.57 0.38 -0.01 0.00 0.68 0.00 0.00 39.33 40.95 1xn5 h ASP 122 CO 0.02 -0.34 -0.42 0.03 -1.61 0.00 0.00 179.24 176.93 1xn5 h ARG 123 N -0.37 -0.95 -0.68 0.28 3.08 0.76 -1.43 114.38 115.07 1xn5 h ARG 123 Ca 0.09 0.06 0.15 0.00 0.07 0.00 0.00 59.98 60.36 1xn5 h ARG 123 Cb 0.51 0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 1xn5 h ARG 123 CO -0.32 -0.63 0.47 0.78 -1.07 0.00 0.00 179.97 179.19 1xn5 h GLY 124 N -0.98 0.47 0.98 0.04 0.00 -0.79 0.24 103.07 103.02 1xn5 h GLY 124 Ca -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1xn5 h GLY 124 CO 0.04 0.04 -0.14 1.49 0.00 0.00 0.00 176.54 177.97 1xn5 h TRP 125 N 0.28 -0.37 0.39 5.60 4.06 0.24 0.77 115.95 126.92 1xn5 h TRP 125 Ca 0.33 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 61.26 1xn5 h TRP 125 Cb 0.91 0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 29.18 1xn5 h TRP 125 CO -0.00 -0.21 -0.26 1.25 -3.56 0.00 0.00 178.44 175.66 1xn5 h HIS 126 N -0.42 -0.68 -0.92 0.49 2.76 -0.07 0.16 115.15 116.46 1xn5 h HIS 126 Ca -0.04 -0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.28 1xn5 h HIS 126 Cb 0.32 0.25 -0.08 0.00 1.55 0.00 0.00 27.41 29.45 1xn5 h HIS 126 CO -0.05 -0.40 0.59 -0.44 -1.30 0.00 0.00 177.93 176.34 1xn5 h ASP 127 N -0.63 0.69 0.31 3.26 3.32 -0.89 0.16 116.42 122.63 1xn5 h ASP 127 Ca -0.04 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1xn5 h ASP 127 Cb 0.53 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1xn5 h ASP 127 CO 0.03 0.33 -0.15 0.25 -1.72 0.00 0.00 179.24 177.98 1xn5 h LEU 128 N 0.72 -0.35 -3.52 1.55 5.85 0.14 -2.56 115.31 117.15 1xn5 h LEU 128 Ca 0.47 -0.08 -0.37 0.00 0.84 0.00 0.00 57.88 58.74 1xn5 h LEU 128 Cb 0.75 0.09 -0.16 0.00 0.37 0.00 0.00 40.66 41.71 1xn5 h LEU 128 CO -0.23 -0.14 0.48 0.55 -0.34 0.00 0.00 178.44 178.76 1xn5 n VAL 129 N -5.21 2.86 0.04 1.05 3.14 0.48 -1.20 118.33 119.48 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 0.22 -1.26 0.00 0.00 -1.06 0.00 0.00 33.84 31.75 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 0.10 0.74 0.00 6.55 3.02 0.41 -4.65 115.26 121.43 1xn5 n ASN 130 Ca 0.35 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.02 1xn5 n ASN 130 Cb 0.64 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 1xn5 n ASN 130 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1xn5 n GLU 131 N -3.35 0.00 -0.30 3.52 -0.00 -1.11 -4.31 120.64 115.08 1xn5 n GLU 131 Ca 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 57.16 57.37 1xn5 n GLU 131 Cb 0.13 -0.66 0.50 0.00 -0.00 0.00 0.00 31.44 31.41 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 0.41 0.11 3.44 2.47 -1.59 0.39 114.38 119.60 1xn5 h ARG 132 Ca 0.00 -0.02 -0.29 0.00 -1.26 0.00 0.00 59.98 58.40 1xn5 h ARG 132 Cb 0.63 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 1xn5 h ARG 132 CO 0.00 0.27 -1.52 1.25 0.56 0.00 0.00 179.97 180.53 1xn5 h LEU 133 N 0.42 0.37 -1.54 3.04 5.85 -1.44 -3.29 115.31 118.72 1xn5 h LEU 133 Ca 0.56 -0.85 0.22 0.00 0.84 0.00 0.00 57.88 58.65 1xn5 h LEU 133 Cb 1.38 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 42.22 1xn5 h LEU 133 CO -0.26 1.66 0.62 -0.09 -0.34 0.00 0.00 178.44 180.03 1xn5 h ARG 134 N -0.28 0.35 -0.41 1.25 2.43 -1.30 0.34 114.38 116.77 1xn5 h ARG 134 Ca -0.33 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 58.68 1xn5 h ARG 134 Cb 1.79 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.25 1xn5 h ARG 134 CO 0.05 0.23 -0.30 1.96 -1.51 0.00 0.00 179.97 180.40 1xn5 h GLN 135 N 0.36 0.91 -0.54 0.20 4.20 -0.43 0.59 115.11 120.40 1xn5 h GLN 135 Ca 0.49 -0.42 0.16 0.00 0.06 0.00 0.00 58.65 58.93 1xn5 h GLN 135 Cb 1.29 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.04 1xn5 h GLN 135 CO -0.18 1.08 0.64 0.82 -0.67 0.00 0.00 178.83 180.52 1xn5 h ILE 136 N 0.77 0.25 0.00 2.54 1.08 -0.38 0.23 117.51 122.00 1xn5 h ILE 136 Ca 0.08 0.00 -0.21 0.00 -0.39 0.00 0.00 64.86 64.34 1xn5 h ILE 136 Cb 0.87 0.48 -0.04 0.00 -3.07 0.00 0.00 36.82 35.06 1xn5 h ILE 136 CO 0.08 0.00 -1.82 1.33 -0.69 0.00 0.00 178.15 177.04 1xn5 n VAL 137 N -3.54 0.80 1.58 1.67 0.24 -0.95 -5.03 118.33 113.10 1xn5 n VAL 137 Ca 0.11 -0.51 0.14 0.00 -2.04 0.00 0.00 64.34 62.04 1xn5 n VAL 137 Cb 0.84 -0.65 0.59 0.00 -1.47 0.00 0.00 33.84 33.15 1xn5 n VAL 137 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07