#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 -1.12 2.03 5.66 -1.26 -4.68 114.28 114.91 1xn5 n THR 2 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1xn5 n THR 2 Cb 0.00 -0.14 0.02 0.00 -1.55 0.00 0.00 70.33 68.66 1xn5 n THR 2 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1xn5 n ARG 3 N -1.73 0.00 -3.08 1.09 0.63 -1.26 -4.04 116.66 108.27 1xn5 n ARG 3 Ca 0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.64 1xn5 n ARG 3 Cb 0.18 -0.94 -0.03 0.00 0.45 0.00 0.00 32.46 32.12 1xn5 n ARG 3 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1xn5 s LEU 4 N 5.34 3.94 0.80 6.15 1.43 -1.21 -4.86 118.68 130.28 1xn5 s LEU 4 Ca 0.50 0.95 -0.11 0.00 -1.03 0.00 0.00 54.13 54.44 1xn5 s LEU 4 Cb -0.40 -3.80 0.07 0.00 0.03 0.00 0.00 46.19 42.09 1xn5 s LEU 4 CO 0.66 -0.30 1.10 -2.16 0.23 0.00 0.00 176.35 175.87 1xn5 s PRO 5 N -3.69 2.04 0.31 1.29 0.04 -1.26 -4.94 135.00 128.79 1xn5 s PRO 5 Ca 0.48 0.63 -0.28 0.00 0.04 0.00 0.00 61.00 61.87 1xn5 s PRO 5 Cb -0.10 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 1xn5 s PRO 5 CO 0.30 -1.65 1.10 -0.51 0.04 0.00 0.00 177.00 176.28 1xn5 s ASP 6 N -3.90 7.13 -1.49 6.66 1.01 -1.26 -4.91 116.67 119.90 1xn5 s ASP 6 Ca 0.61 2.25 -0.12 0.00 0.71 0.00 0.00 52.55 56.00 1xn5 s ASP 6 Cb -0.14 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.18 1xn5 s ASP 6 CO 0.54 -0.24 2.42 -0.38 0.21 0.00 0.00 175.17 177.72 1xn5 n ILE 7 N 0.92 3.79 -3.52 0.77 5.41 -0.56 -4.90 119.36 121.28 1xn5 n ILE 7 Ca 0.00 -3.00 -0.38 0.00 1.00 0.00 0.00 62.75 60.37 1xn5 n ILE 7 Cb 0.45 -2.59 -0.10 0.00 -0.71 0.00 0.00 39.64 36.70 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 2.64 4.02 0.25 0.38 2.20 -1.26 -2.73 119.74 125.25 1xn5 s LYS 8 Ca 0.53 -0.13 0.06 0.00 -0.36 0.00 0.00 55.97 56.07 1xn5 s LYS 8 Cb 0.15 -3.62 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 1xn5 s LYS 8 CO -0.08 -0.14 -0.07 0.15 -0.36 0.00 0.00 175.35 174.85 1xn5 s LYS 9 N 1.66 1.45 -0.13 4.03 -0.14 -0.49 -4.98 119.74 121.14 1xn5 s LYS 9 Ca 0.11 -1.71 -0.09 0.00 -1.36 0.00 0.00 55.97 52.91 1xn5 s LYS 9 Cb -0.15 -1.06 0.04 0.00 -1.68 0.00 0.00 37.83 34.98 1xn5 s LYS 9 CO 0.09 0.06 0.34 -2.00 -0.76 0.00 0.00 175.35 173.07 1xn5 s GLU 10 N -3.72 0.35 0.15 1.68 -6.30 -1.26 -0.46 118.70 109.13 1xn5 s GLU 10 Ca 0.27 0.57 0.03 0.00 -2.50 0.00 0.00 54.97 53.34 1xn5 s GLU 10 Cb 0.03 0.06 -0.04 0.00 0.00 0.00 0.00 34.13 34.17 1xn5 s GLU 10 CO 0.10 -0.10 -0.06 0.14 0.02 0.00 0.00 175.26 175.35 1xn5 s VAL 11 N 0.77 0.95 -0.08 3.70 -7.23 0.17 -5.01 120.40 113.67 1xn5 s VAL 11 Ca -0.05 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.13 1xn5 s VAL 11 Cb -0.06 -1.90 0.01 0.00 0.56 0.00 0.00 36.38 34.99 1xn5 s VAL 11 CO -0.05 -0.69 -0.14 -0.60 -0.31 0.00 0.00 175.10 173.30 1xn5 s ARG 12 N -3.81 1.97 0.03 4.82 3.52 -1.26 -1.72 118.95 122.49 1xn5 s ARG 12 Ca 0.18 -0.50 0.06 0.00 -0.13 0.00 0.00 55.73 55.34 1xn5 s ARG 12 Cb 0.04 -1.61 -0.02 0.00 -1.56 0.00 0.00 34.95 31.80 1xn5 s ARG 12 CO 0.01 0.03 -0.17 -0.06 -0.81 0.00 0.00 175.30 174.30 1xn5 s PHE 13 N 0.69 1.47 -0.68 5.12 0.08 -1.11 -5.04 117.98 118.52 1xn5 s PHE 13 Ca -0.14 -0.34 -0.23 0.00 0.12 0.00 0.00 56.93 56.34 1xn5 s PHE 13 Cb -0.16 -0.89 0.07 0.00 -0.57 0.00 0.00 43.02 41.47 1xn5 s PHE 13 CO 0.03 0.04 1.01 1.21 -0.10 0.00 0.00 175.22 177.42 1xn5 s ASN 14 N -1.00 6.18 -0.18 1.36 3.84 -1.26 -2.04 114.94 121.84 1xn5 s ASN 14 Ca 0.05 -0.93 -0.35 0.00 0.21 0.00 0.00 52.86 51.83 1xn5 s ASN 14 Cb -0.08 -2.44 0.15 0.00 -0.55 0.00 0.00 41.25 38.33 1xn5 s ASN 14 CO 0.01 -1.50 1.35 0.00 -2.79 0.00 0.00 177.10 174.17 1xn5 s ALA 15 N 4.29 -2.25 0.02 1.71 0.00 -1.26 -4.87 121.76 119.39 1xn5 s ALA 15 Ca 0.24 1.45 -0.30 0.00 0.00 0.00 0.00 51.96 53.35 1xn5 s ALA 15 Cb -0.15 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 1xn5 s ALA 15 CO 0.11 -0.75 1.19 -1.25 0.00 0.00 0.00 175.76 175.05 1xn5 s PRO 16 N -2.17 4.41 0.58 0.00 0.04 -1.26 -3.53 135.00 133.08 1xn5 s PRO 16 Ca 0.12 1.72 0.29 0.00 0.04 0.00 0.00 61.00 63.17 1xn5 s PRO 16 Cb 0.02 -3.43 1.47 0.00 0.04 0.00 0.00 34.50 32.60 1xn5 s PRO 16 CO -0.04 -0.31 1.90 0.97 0.04 0.00 0.00 177.00 179.56 1xn5 h ILE 17 N 4.70 0.39 -0.35 0.56 2.10 -1.97 0.71 117.51 123.66 1xn5 h ILE 17 Ca -0.39 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.52 1xn5 h ILE 17 Cb 1.20 0.61 -0.02 0.00 -1.09 0.00 0.00 36.82 37.52 1xn5 h ILE 17 CO 0.83 0.00 0.09 -0.08 -1.08 0.00 0.00 178.15 177.91 1xn5 h GLU 18 N 0.00 0.50 0.09 2.19 4.22 -1.97 1.36 114.58 120.97 1xn5 h GLU 18 Ca 0.24 -0.08 -0.00 0.00 0.08 0.00 0.00 59.36 59.59 1xn5 h GLU 18 Cb 1.23 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1xn5 h GLU 18 CO -0.00 0.46 -0.04 -0.22 -2.18 0.00 0.00 179.01 177.03 1xn5 h LYS 19 N 0.50 -0.12 -0.70 1.92 3.64 0.05 -2.52 116.57 119.34 1xn5 h LYS 19 Ca 0.12 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 1xn5 h LYS 19 Cb 0.19 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 1xn5 h LYS 19 CO -0.00 0.21 0.42 0.28 -2.27 0.00 0.00 179.45 178.09 1xn5 h VAL 20 N -0.99 1.03 -0.23 2.00 2.07 -1.35 0.54 116.25 119.33 1xn5 h VAL 20 Ca -0.01 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1xn5 h VAL 20 Cb 0.39 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 1xn5 h VAL 20 CO 0.02 0.14 -0.13 -0.25 0.02 0.00 0.00 177.57 177.38 1xn5 h TRP 21 N 0.79 -0.31 0.00 1.57 -0.00 0.17 0.29 115.95 118.47 1xn5 h TRP 21 Ca 0.30 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 59.17 1xn5 h TRP 21 Cb 0.11 0.17 -0.01 0.00 -0.00 0.00 0.00 29.16 29.43 1xn5 h TRP 21 CO -0.06 -0.19 -0.19 0.93 -0.00 0.00 0.00 178.44 178.94 1xn5 h GLU 22 N -0.11 0.00 0.00 2.65 5.08 -0.83 0.14 114.58 121.52 1xn5 h GLU 22 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1xn5 h GLU 22 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1xn5 h GLU 22 CO -0.29 0.19 0.00 0.00 -1.00 0.00 0.00 179.01 177.90 1xn5 h ALA 23 N 1.81 1.00 -0.10 3.43 0.00 0.33 -1.39 119.26 124.34 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 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xn5 h ALA 23 CO 0.02 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.60 1xn5 n VAL 24 N -2.45 0.89 -0.04 0.00 0.24 0.66 -2.28 118.33 115.35 1xn5 n VAL 24 Ca 0.04 -0.94 -0.03 0.00 -2.04 0.00 0.00 64.34 61.36 1xn5 n VAL 24 Cb 0.37 0.57 -0.07 0.00 -1.47 0.00 0.00 33.84 33.24 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 -0.12 2.95 -4.91 -1.34 3.41 0.35 -4.86 113.62 109.10 1xn5 n SER 25 Ca 0.04 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.44 1xn5 n SER 25 Cb 0.28 0.76 0.05 0.00 -0.26 0.00 0.00 64.21 65.05 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 -2.24 2.50 -0.20 6.66 -4.23 -0.55 -1.43 115.64 116.15 1xn5 s THR 26 Ca -0.04 -0.76 -0.19 0.00 -1.18 0.00 0.00 61.69 59.52 1xn5 s THR 26 Cb 0.03 -2.74 -0.16 0.00 1.34 0.00 0.00 72.50 70.96 1xn5 s THR 26 CO 0.34 0.00 0.15 0.28 -0.54 0.00 0.00 174.62 174.85 1xn5 h SER 27 N 0.03 0.00 -0.70 3.99 0.02 -1.85 -3.03 113.55 112.02 1xn5 h SER 27 Ca -0.38 -0.42 0.07 0.00 -0.84 0.00 0.00 61.79 60.22 1xn5 h SER 27 Cb 1.28 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.78 1xn5 h SER 27 CO 0.46 1.37 0.46 -0.08 -1.14 0.00 0.00 176.83 177.90 1xn5 h GLU 28 N -1.00 0.66 -0.16 3.45 4.22 -1.90 1.05 114.58 120.90 1xn5 h GLU 28 Ca -0.29 -0.04 -0.21 0.00 0.08 0.00 0.00 59.36 58.90 1xn5 h GLU 28 Cb 1.17 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 30.28 1xn5 h GLU 28 CO -0.18 0.44 -0.73 0.78 -2.18 0.00 0.00 179.01 177.14 1xn5 h GLY 29 N 0.68 0.80 0.35 1.92 0.00 -1.81 -2.10 103.07 102.91 1xn5 h GLY 29 Ca 0.31 -1.09 -0.01 0.00 0.00 0.00 0.00 47.33 46.54 1xn5 h GLY 29 CO -0.10 0.97 -0.09 1.41 0.00 0.00 0.00 176.54 178.72 1xn5 h LEU 30 N 0.51 -0.22 -1.92 3.11 3.38 -0.80 -3.00 115.31 116.37 1xn5 h LEU 30 Ca -0.04 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1xn5 h LEU 30 Cb 1.34 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1xn5 h LEU 30 CO 0.15 0.31 0.20 0.00 0.09 0.00 0.00 178.44 179.19 1xn5 h ALA 31 N -0.47 1.18 0.00 1.53 0.00 0.12 1.70 119.26 123.33 1xn5 h ALA 31 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1xn5 h ALA 31 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1xn5 h ALA 31 CO 0.04 -0.18 -0.07 0.35 0.00 0.00 0.00 179.25 179.39 1xn5 h PHE 32 N 0.00 0.00 0.00 0.00 3.04 -1.22 -3.34 116.94 115.42 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 0.41 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.92 1xn5 h PHE 32 CO 0.00 0.07 -0.40 -2.67 -2.02 0.00 0.00 178.31 173.30 1xn5 n TRP 33 N -3.75 0.00 0.00 0.41 4.27 0.11 -4.98 117.44 113.49 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 0.17 0.29 0.00 0.00 -1.36 0.00 0.00 31.31 30.41 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 -2.65 0.00 -3.60 -2.67 7.35 0.54 -4.98 117.46 111.45 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 0.20 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.01 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 -0.02 0.40 0.34 -4.13 -1.94 -1.22 -4.87 119.30 107.86 1xn5 s MET 35 Ca 0.00 -0.17 -0.27 0.00 -1.71 0.00 0.00 55.69 53.54 1xn5 s MET 35 Cb 0.00 0.16 -0.13 0.00 2.01 0.00 0.00 34.83 36.88 1xn5 s MET 35 CO 0.00 -0.18 1.03 0.39 -0.01 0.00 0.00 175.02 176.25 1xn5 n GLU 36 N -0.23 1.42 -3.86 2.03 -0.58 -1.26 -2.94 120.64 115.23 1xn5 n GLU 36 Ca -0.03 0.50 -0.02 0.00 -0.42 0.00 0.00 57.16 57.19 1xn5 n GLU 36 Cb 0.60 -1.96 0.01 0.00 -0.57 0.00 0.00 31.44 29.52 1xn5 n GLU 36 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1xn5 s ASN 37 N -0.60 -0.03 -0.14 1.62 2.20 -1.26 -3.34 114.94 113.40 1xn5 s ASN 37 Ca 0.60 -0.53 0.15 0.00 -0.94 0.00 0.00 52.86 52.13 1xn5 s ASN 37 Cb -0.63 0.42 0.34 0.00 -2.00 0.00 0.00 41.25 39.38 1xn5 s ASN 37 CO 0.59 -0.83 1.17 -0.67 -2.94 0.00 0.00 177.10 174.43 1xn5 n ASP 38 N -1.04 1.65 -4.74 3.54 -0.08 -1.23 -4.76 116.55 109.90 1xn5 n ASP 38 Ca -0.03 -3.22 -0.34 0.00 -1.51 0.00 0.00 54.79 49.69 1xn5 n ASP 38 Cb 0.60 -0.44 0.06 0.00 2.34 0.00 0.00 41.12 43.68 1xn5 n ASP 38 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1xn5 s LEU 39 N -2.39 3.44 0.00 -2.67 0.20 -1.26 -4.78 118.68 111.22 1xn5 s LEU 39 Ca 0.32 2.27 0.05 0.00 0.69 0.00 0.00 54.13 57.46 1xn5 s LEU 39 Cb 0.31 -4.58 0.08 0.00 -0.43 0.00 0.00 46.19 41.57 1xn5 s LEU 39 CO -0.05 -1.90 0.93 0.29 -0.29 0.00 0.00 176.35 175.33 1xn5 n LYS 40 N -2.31 0.00 -3.31 1.98 5.02 -1.23 -3.23 118.16 115.07 1xn5 n LYS 40 Ca 0.13 -0.98 -0.13 0.00 -2.02 0.00 0.00 58.31 55.31 1xn5 n LYS 40 Cb 0.50 -0.24 0.03 0.00 -0.02 0.00 0.00 35.03 35.30 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 0.09 -2.55 -3.53 7.82 0.00 -0.52 -4.88 120.51 116.95 1xn5 n ALA 41 Ca -0.01 -0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 1xn5 n ALA 41 Cb 0.74 -2.96 -0.13 0.00 0.00 0.00 0.00 19.45 17.10 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 -4.14 0.17 0.38 0.00 2.12 -1.26 -4.96 118.70 111.01 1xn5 s GLU 42 Ca 0.20 0.39 -0.24 0.00 0.36 0.00 0.00 54.97 55.68 1xn5 s GLU 42 Cb -0.05 -0.07 -0.09 0.00 0.26 0.00 0.00 34.13 34.18 1xn5 s GLU 42 CO 0.79 -0.12 1.04 -0.08 -0.54 0.00 0.00 175.26 176.34 1xn5 s THR 43 N 0.88 3.79 -1.01 -1.70 -1.32 -1.26 -3.09 115.64 111.94 1xn5 s THR 43 Ca -0.06 1.40 0.00 0.00 -1.21 0.00 0.00 61.69 61.81 1xn5 s THR 43 Cb -0.08 -3.73 0.00 0.00 -1.51 0.00 0.00 72.50 67.18 1xn5 s THR 43 CO -0.05 0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 1xn5 n GLY 44 N 0.38 1.07 3.92 6.08 0.00 -1.02 -4.99 105.19 110.63 1xn5 n GLY 44 Ca 0.04 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.21 3.00 -0.14 1.61 5.04 -1.18 -4.94 115.29 116.47 1xn5 s HIS 45 Ca 0.00 0.54 -0.04 0.00 -1.54 0.00 0.00 55.06 54.02 1xn5 s HIS 45 Cb 0.00 -3.13 0.05 0.00 0.04 0.00 0.00 32.58 29.54 1xn5 s HIS 45 CO 0.00 -1.32 0.06 -3.38 -2.34 0.00 0.00 174.74 167.77 1xn5 s HIS 46 N -3.23 0.40 -0.02 3.88 -3.43 -1.26 -3.41 115.29 108.21 1xn5 s HIS 46 Ca 0.59 -0.33 0.02 0.00 -0.80 0.00 0.00 55.06 54.55 1xn5 s HIS 46 Cb -0.11 -0.74 0.00 0.00 -1.43 0.00 0.00 32.58 30.30 1xn5 s HIS 46 CO 0.45 -0.46 -0.08 -0.59 -2.00 0.00 0.00 174.74 172.06 1xn5 s PHE 47 N 2.07 0.86 0.75 0.38 -0.71 -1.11 -5.00 117.98 115.21 1xn5 s PHE 47 Ca 0.02 -0.20 -0.10 0.00 -1.04 0.00 0.00 56.93 55.62 1xn5 s PHE 47 Cb -0.15 -0.60 0.06 0.00 -1.21 0.00 0.00 43.02 41.12 1xn5 s PHE 47 CO -0.07 -0.07 1.09 -1.01 -1.34 0.00 0.00 175.22 173.82 1xn5 s HIS 48 N 0.10 3.00 -0.02 3.49 3.76 -1.26 -1.37 115.29 122.98 1xn5 s HIS 48 Ca -0.01 0.66 0.04 0.00 -0.15 0.00 0.00 55.06 55.59 1xn5 s HIS 48 Cb -0.07 -3.29 -0.00 0.00 1.11 0.00 0.00 32.58 30.32 1xn5 s HIS 48 CO 0.00 -1.52 -0.13 -1.17 -0.85 0.00 0.00 174.74 171.08 1xn5 s LEU 49 N -5.40 1.93 -0.82 0.89 2.96 -0.51 -3.46 118.68 114.27 1xn5 s LEU 49 Ca 0.60 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 1xn5 s LEU 49 Cb -0.11 -0.69 0.24 0.00 0.50 0.00 0.00 46.19 46.13 1xn5 s LEU 49 CO 0.47 0.13 0.84 0.00 -1.32 0.00 0.00 176.35 176.48 1xn5 n GLN 50 N 2.99 2.78 -2.49 1.98 1.13 -1.21 -2.51 117.38 120.05 1xn5 n GLN 50 Ca -0.16 -4.56 -0.27 0.00 -1.94 0.00 0.00 57.00 50.07 1xn5 n GLN 50 Cb 0.55 -2.36 0.01 0.00 0.11 0.00 0.00 30.24 28.54 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 -1.33 6.07 0.15 1.08 1.04 -1.26 -4.48 113.70 114.97 1xn5 s SER 51 Ca 0.32 0.91 0.24 0.00 0.48 0.00 0.00 55.95 57.90 1xn5 s SER 51 Cb 0.02 -2.11 0.91 0.00 0.10 0.00 0.00 66.02 64.94 1xn5 s SER 51 CO -0.06 -0.75 1.73 -0.81 0.98 0.00 0.00 173.24 174.33 1xn5 n PRO 52 N -2.40 0.14 -2.17 4.02 -0.04 -1.26 -3.25 135.00 130.04 1xn5 n PRO 52 Ca 0.02 0.25 -0.31 0.00 -0.04 0.00 0.00 63.50 63.42 1xn5 n PRO 52 Cb 0.56 -1.72 0.02 0.00 -0.04 0.00 0.00 33.50 32.32 1xn5 n PRO 52 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xn5 n PHE 53 N -1.98 3.19 0.00 0.54 -0.00 -1.26 -5.02 117.46 112.93 1xn5 n PHE 53 Ca 0.04 -2.77 0.00 0.00 -0.00 0.00 0.00 57.45 54.73 1xn5 n PHE 53 Cb 0.30 -0.52 0.00 0.00 -0.00 0.00 0.00 39.48 39.26 1xn5 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xn5 n GLY 54 N -0.57 -1.40 3.79 7.13 0.00 -1.20 -4.99 105.19 107.95 1xn5 n GLY 54 Ca 0.46 -1.31 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 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 -5.44 4.00 -0.02 1.61 0.04 -1.26 -4.03 135.00 129.90 1xn5 s PRO 55 Ca 0.00 1.45 -0.01 0.00 0.04 0.00 0.00 61.00 62.48 1xn5 s PRO 55 Cb 0.00 -2.34 0.01 0.00 0.04 0.00 0.00 34.50 32.21 1xn5 s PRO 55 CO 0.00 -0.28 0.04 0.45 0.04 0.00 0.00 177.00 177.26 1xn5 s SER 56 N -1.74 -0.03 0.30 6.66 0.15 -1.04 -4.97 113.70 113.03 1xn5 s SER 56 Ca 0.62 0.09 -0.28 0.00 0.70 0.00 0.00 55.95 57.07 1xn5 s SER 56 Cb -0.20 0.06 -0.09 0.00 -1.71 0.00 0.00 66.02 64.08 1xn5 s SER 56 CO 0.24 -0.04 1.08 -2.16 1.20 0.00 0.00 173.24 173.56 1xn5 s PRO 57 N 0.24 4.57 0.20 5.44 0.04 -1.26 -1.43 135.00 142.80 1xn5 s PRO 57 Ca -0.02 1.72 0.08 0.00 0.04 0.00 0.00 61.00 62.83 1xn5 s PRO 57 Cb -0.03 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.39 1xn5 s PRO 57 CO -0.01 0.18 -0.16 0.00 0.04 0.00 0.00 177.00 177.05 1xn5 s GLN 59 N -3.46 0.43 0.07 0.00 0.74 -0.96 -2.76 119.66 113.73 1xn5 s GLN 59 Ca 0.22 0.64 -0.25 0.00 0.05 0.00 0.00 55.36 56.01 1xn5 s GLN 59 Cb -0.02 0.13 -0.06 0.00 1.10 0.00 0.00 33.01 34.15 1xn5 s GLN 59 CO 0.07 -0.10 0.76 0.08 -0.55 0.00 0.00 175.29 175.55 1xn5 s VAL 60 N 0.67 4.65 -0.17 1.34 1.01 -1.22 -1.21 120.40 125.46 1xn5 s VAL 60 Ca -0.04 1.62 0.10 0.00 0.00 0.00 0.00 61.98 63.66 1xn5 s VAL 60 Cb -0.05 -4.11 -0.17 0.00 0.00 0.00 0.00 36.38 32.05 1xn5 s VAL 60 CO -0.04 0.41 -0.02 0.35 0.00 0.00 0.00 175.10 175.80 1xn5 n THR 61 N 2.46 1.09 -3.64 3.92 -2.24 -1.20 -2.44 114.28 112.23 1xn5 n THR 61 Ca -0.04 -0.59 -0.08 0.00 -2.27 0.00 0.00 64.05 61.07 1xn5 n THR 61 Cb 0.50 -0.77 -0.07 0.00 -2.10 0.00 0.00 70.33 67.89 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 -5.22 -0.91 -0.28 3.42 1.11 -1.24 -4.72 116.67 108.84 1xn5 s ASP 62 Ca -0.14 1.48 -0.02 0.00 0.18 0.00 0.00 52.55 54.05 1xn5 s ASP 62 Cb 0.05 1.39 0.16 0.00 1.07 0.00 0.00 42.92 45.59 1xn5 s ASP 62 CO 0.59 -0.24 0.52 0.54 1.18 0.00 0.00 175.17 177.76 1xn5 s VAL 63 N 1.47 -0.85 -0.28 -1.27 0.11 -1.26 -0.28 120.40 118.05 1xn5 s VAL 63 Ca -0.09 -0.02 0.01 0.00 -2.93 0.00 0.00 61.98 58.95 1xn5 s VAL 63 Cb -0.05 -0.92 0.16 0.00 -1.53 0.00 0.00 36.38 34.04 1xn5 s VAL 63 CO -0.17 -0.04 0.47 -0.70 -3.33 0.00 0.00 175.10 171.33 1xn5 s GLU 64 N 2.74 0.45 0.50 1.54 2.56 -1.15 -4.55 118.70 120.79 1xn5 s GLU 64 Ca 0.16 0.50 0.00 0.00 0.00 0.00 0.00 54.97 55.63 1xn5 s GLU 64 Cb -0.15 -0.09 0.00 0.00 2.00 0.00 0.00 34.13 35.89 1xn5 s GLU 64 CO -0.19 -0.84 0.00 0.54 -0.56 0.00 0.00 175.26 174.22 1xn5 n ARG 65 N 5.38 -2.89 -0.87 4.30 1.74 -1.26 -3.91 116.66 119.15 1xn5 n ARG 65 Ca -0.00 2.26 -0.20 0.00 -0.77 0.00 0.00 57.85 59.14 1xn5 n ARG 65 Cb 0.51 -3.48 -0.07 0.00 -1.02 0.00 0.00 32.46 28.40 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 -4.13 2.18 0.00 5.56 -0.04 -1.26 -3.29 135.00 134.01 1xn5 n PRO 66 Ca -0.06 -1.29 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 1xn5 n PRO 66 Cb 0.64 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 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 3.31 0.00 -3.52 0.52 -6.64 -1.25 -3.50 119.36 108.28 1xn5 n ILE 67 Ca 0.46 0.00 -0.06 0.00 -1.77 0.00 0.00 62.75 61.38 1xn5 n ILE 67 Cb 0.42 -0.42 -0.07 0.00 -1.44 0.00 0.00 39.64 38.13 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 -1.73 0.39 -0.05 6.28 2.20 -1.21 -3.88 119.74 121.75 1xn5 s LYS 68 Ca 0.00 0.96 0.01 0.00 -0.36 0.00 0.00 55.97 56.58 1xn5 s LYS 68 Cb 0.00 0.23 0.02 0.00 -1.51 0.00 0.00 37.83 36.57 1xn5 s LYS 68 CO 0.00 -0.39 -0.05 -1.17 -0.36 0.00 0.00 175.35 173.38 1xn5 s LEU 69 N 2.67 1.28 0.02 5.43 2.96 -0.57 -2.93 118.68 127.54 1xn5 s LEU 69 Ca 0.04 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 53.83 1xn5 s LEU 69 Cb -0.13 -0.49 -0.01 0.00 0.50 0.00 0.00 46.19 46.05 1xn5 s LEU 69 CO -0.15 -0.06 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.18 1xn5 s SER 70 N 1.02 0.95 -0.24 3.68 0.15 0.61 0.19 113.70 120.07 1xn5 s SER 70 Ca -0.09 -0.32 -0.16 0.00 0.70 0.00 0.00 55.95 56.08 1xn5 s SER 70 Cb -0.14 -0.05 0.07 0.00 -1.71 0.00 0.00 66.02 64.19 1xn5 s SER 70 CO -0.00 -0.02 0.60 0.72 1.20 0.00 0.00 173.24 175.74 1xn5 s PHE 71 N -0.67 -0.85 0.02 3.44 -0.71 -1.21 -3.23 117.98 114.78 1xn5 s PHE 71 Ca -0.02 1.80 -0.15 0.00 -1.04 0.00 0.00 56.93 57.52 1xn5 s PHE 71 Cb -0.06 0.43 -0.06 0.00 -1.21 0.00 0.00 43.02 42.13 1xn5 s PHE 71 CO 0.00 -0.43 0.43 0.95 -1.34 0.00 0.00 175.22 174.83 1xn5 s THR 72 N 1.21 5.00 -0.07 -4.49 -4.23 -0.35 -3.92 115.64 108.79 1xn5 s THR 72 Ca -0.07 0.85 0.02 0.00 -1.18 0.00 0.00 61.69 61.31 1xn5 s THR 72 Cb -0.06 -3.73 0.02 0.00 1.34 0.00 0.00 72.50 70.07 1xn5 s THR 72 CO -0.12 0.54 -0.10 0.86 -0.54 0.00 0.00 174.62 175.26 1xn5 s TRP 73 N -1.12 1.29 0.00 3.99 -0.00 -1.26 -2.27 118.94 119.57 1xn5 s TRP 73 Ca 0.25 -0.48 0.00 0.00 -0.00 0.00 0.00 56.10 55.88 1xn5 s TRP 73 Cb -0.17 -0.99 0.00 0.00 -0.00 0.00 0.00 33.47 32.31 1xn5 s TRP 73 CO 0.14 -0.28 0.00 -3.47 -0.00 0.00 0.00 176.95 173.34 1xn5 n ASP 74 N 3.99 0.00 -2.66 5.86 -0.08 -1.10 -4.43 116.55 118.12 1xn5 n ASP 74 Ca -0.22 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 52.96 1xn5 n ASP 74 Cb 0.51 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.96 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 -1.70 0.00 -2.11 5.18 -2.24 -1.26 -4.40 114.28 107.74 1xn5 n THR 75 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1xn5 n THR 75 Cb 0.00 -0.11 0.01 0.00 -2.10 0.00 0.00 70.33 68.13 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 -1.43 -0.57 0.00 3.42 -0.08 -1.26 -5.07 116.55 111.55 1xn5 n ASP 76 Ca 0.03 -1.23 0.00 0.00 -1.51 0.00 0.00 54.79 52.08 1xn5 n ASP 76 Cb 0.41 0.23 0.00 0.00 2.34 0.00 0.00 41.12 44.09 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 -0.33 0.28 3.19 0.27 0.00 -1.26 -5.17 105.19 102.17 1xn5 n GLY 77 Ca -0.11 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 0.42 1.03 -0.02 1.61 0.51 -1.26 -4.97 118.94 116.25 1xn5 s TRP 78 Ca 0.00 -1.15 0.05 0.00 -2.12 0.00 0.00 56.10 52.88 1xn5 s TRP 78 Cb 0.00 -0.58 -0.01 0.00 -0.81 0.00 0.00 33.47 32.07 1xn5 s TRP 78 CO 0.00 -0.40 -0.17 -1.54 -0.51 0.00 0.00 176.95 174.33 1xn5 s SER 79 N -3.11 2.09 0.04 2.95 1.04 -1.24 -4.21 113.70 111.24 1xn5 s SER 79 Ca 0.25 -0.33 0.07 0.00 0.48 0.00 0.00 55.95 56.42 1xn5 s SER 79 Cb 0.07 -0.35 -0.03 0.00 0.10 0.00 0.00 66.02 65.80 1xn5 s SER 79 CO 0.03 0.19 -0.20 0.54 0.98 0.00 0.00 173.24 174.79 1xn5 s VAL 80 N -0.25 2.67 -0.03 5.02 0.11 -1.25 -3.49 120.40 123.18 1xn5 s VAL 80 Ca 0.03 -1.20 0.07 0.00 -2.93 0.00 0.00 61.98 57.95 1xn5 s VAL 80 Cb -0.08 -2.10 -0.02 0.00 -1.53 0.00 0.00 36.38 32.65 1xn5 s VAL 80 CO 0.00 0.36 -0.24 -0.89 -3.33 0.00 0.00 175.10 171.01 1xn5 s THR 81 N -0.89 1.87 0.02 5.04 2.01 -0.02 -3.34 115.64 120.33 1xn5 s THR 81 Ca 0.14 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.14 1xn5 s THR 81 Cb -0.10 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 1xn5 s THR 81 CO 0.04 0.53 0.09 -0.36 -0.69 0.00 0.00 174.62 174.24 1xn5 s PHE 82 N -0.47 3.29 -0.11 4.92 0.08 0.49 -1.42 117.98 124.76 1xn5 s PHE 82 Ca 0.07 0.18 -0.04 0.00 0.12 0.00 0.00 56.93 57.26 1xn5 s PHE 82 Cb -0.10 -1.71 0.05 0.00 -0.57 0.00 0.00 43.02 40.69 1xn5 s PHE 82 CO -0.00 0.55 0.10 -1.01 -0.10 0.00 0.00 175.22 174.76 1xn5 s HIS 83 N -1.28 0.04 0.23 0.36 3.76 -0.35 -1.51 115.29 116.54 1xn5 s HIS 83 Ca 0.26 0.10 0.09 0.00 -0.15 0.00 0.00 55.06 55.36 1xn5 s HIS 83 Cb -0.12 -0.51 -0.04 0.00 1.11 0.00 0.00 32.58 33.01 1xn5 s HIS 83 CO 0.17 -0.37 -0.03 -0.51 -0.85 0.00 0.00 174.74 173.15 1xn5 s LEU 84 N 2.19 3.14 -0.30 0.89 1.02 -1.25 -0.78 118.68 123.59 1xn5 s LEU 84 Ca 0.04 -0.61 -0.13 0.00 0.02 0.00 0.00 54.13 53.45 1xn5 s LEU 84 Cb -0.14 -1.72 0.17 0.00 0.02 0.00 0.00 46.19 44.53 1xn5 s LEU 84 CO -0.07 0.04 0.98 -1.59 0.02 0.00 0.00 176.35 175.74 1xn5 s LYS 85 N -3.36 0.27 0.12 1.70 -2.85 -0.92 -3.98 119.74 110.72 1xn5 s LYS 85 Ca 0.29 0.56 -0.31 0.00 -1.00 0.00 0.00 55.97 55.51 1xn5 s LYS 85 Cb -0.07 0.32 -0.09 0.00 -2.06 0.00 0.00 37.83 35.93 1xn5 s LYS 85 CO 0.18 -0.20 1.46 -2.00 0.10 0.00 0.00 175.35 174.89 1xn5 s GLU 86 N 2.71 4.28 0.52 1.78 -6.30 -1.26 -1.27 118.70 119.16 1xn5 s GLU 86 Ca 0.01 2.18 0.01 0.00 -2.50 0.00 0.00 54.97 54.67 1xn5 s GLU 86 Cb -0.09 -3.25 -0.01 0.00 0.00 0.00 0.00 34.13 30.78 1xn5 s GLU 86 CO -0.15 -0.52 0.02 -1.21 0.02 0.00 0.00 175.26 173.42 1xn5 s GLU 87 N 1.27 2.21 0.05 4.30 0.41 0.51 -4.91 118.70 122.53 1xn5 s GLU 87 Ca 0.67 -2.41 -0.35 0.00 -0.41 0.00 0.00 54.97 52.47 1xn5 s GLU 87 Cb -0.39 -1.54 -0.19 0.00 -1.78 0.00 0.00 34.13 30.22 1xn5 s GLU 87 CO 0.30 -0.39 1.46 0.93 -0.49 0.00 0.00 175.26 177.07 1xn5 h GLU 88 N 1.30 -1.21 -0.45 1.61 4.39 -1.99 -3.07 114.58 115.16 1xn5 h GLU 88 Ca -0.44 0.08 0.09 0.00 0.34 0.00 0.00 59.36 59.44 1xn5 h GLU 88 Cb 1.32 0.27 -0.09 0.00 -0.10 0.00 0.00 28.75 30.15 1xn5 h GLU 88 CO 0.73 -0.80 -0.15 -0.91 -1.16 0.00 0.00 179.01 176.72 1xn5 h ASN 89 N -1.32 -0.52 0.00 1.42 4.21 -1.98 -3.47 115.58 113.91 1xn5 h ASN 89 Ca -0.13 0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1xn5 h ASN 89 Cb 0.96 0.32 0.00 0.00 -1.12 0.00 0.00 38.32 38.48 1xn5 h ASN 89 CO 0.21 -0.18 0.00 0.61 -1.29 0.00 0.00 177.43 176.78 1xn5 n GLY 90 N -1.36 0.69 3.69 2.83 0.00 -1.16 -4.82 105.19 105.06 1xn5 n GLY 90 Ca 0.03 0.35 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 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 2.06 4.04 -0.08 2.61 2.01 -0.86 0.19 115.64 125.61 1xn5 s THR 91 Ca 0.00 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.07 1xn5 s THR 91 Cb 0.00 -2.92 -0.02 0.00 0.01 0.00 0.00 72.50 69.57 1xn5 s THR 91 CO 0.00 0.14 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.30 1xn5 s ILE 92 N -1.30 3.06 -0.08 1.82 -1.09 -0.40 -2.76 121.20 120.45 1xn5 s ILE 92 Ca 0.25 -0.70 0.01 0.00 -2.23 0.00 0.00 60.65 57.99 1xn5 s ILE 92 Cb -0.12 -2.23 0.02 0.00 -1.58 0.00 0.00 42.46 38.55 1xn5 s ILE 92 CO 0.18 0.56 -0.10 0.12 -1.23 0.00 0.00 174.94 174.47 1xn5 s PHE 93 N -0.30 1.45 -0.03 3.97 2.19 -0.70 -2.17 117.98 122.38 1xn5 s PHE 93 Ca 0.02 -0.60 0.03 0.00 0.33 0.00 0.00 56.93 56.72 1xn5 s PHE 93 Cb -0.13 -1.12 -0.00 0.00 -1.31 0.00 0.00 43.02 40.47 1xn5 s PHE 93 CO 0.03 -0.36 -0.13 0.99 1.83 0.00 0.00 175.22 177.57 1xn5 s THR 94 N 1.03 1.14 0.01 0.12 2.01 0.04 -0.66 115.64 119.33 1xn5 s THR 94 Ca -0.08 -0.55 0.07 0.00 0.31 0.00 0.00 61.69 61.43 1xn5 s THR 94 Cb -0.15 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 1xn5 s THR 94 CO -0.01 0.34 -0.19 -0.51 -0.69 0.00 0.00 174.62 173.56 1xn5 s ILE 95 N 0.11 2.67 -0.20 1.82 -1.16 0.39 -1.21 121.20 123.62 1xn5 s ILE 95 Ca -0.03 -1.07 -0.02 0.00 -0.51 0.00 0.00 60.65 59.02 1xn5 s ILE 95 Cb -0.10 -2.07 0.06 0.00 0.61 0.00 0.00 42.46 40.96 1xn5 s ILE 95 CO 0.01 0.45 0.01 -0.69 -2.81 0.00 0.00 174.94 171.92 1xn5 s VAL 96 N -0.81 0.74 -0.19 4.00 1.01 -0.51 -1.40 120.40 123.25 1xn5 s VAL 96 Ca 0.13 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1xn5 s VAL 96 Cb -0.10 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.13 1xn5 s VAL 96 CO 0.03 -0.15 -0.19 -2.28 0.00 0.00 0.00 175.10 172.50 1xn5 s HIS 97 N 1.76 2.81 0.15 5.22 5.04 -1.11 -0.84 115.29 128.33 1xn5 s HIS 97 Ca -0.02 -1.71 0.06 0.00 -1.54 0.00 0.00 55.06 51.85 1xn5 s HIS 97 Cb -0.17 -1.91 -0.04 0.00 0.04 0.00 0.00 32.58 30.50 1xn5 s HIS 97 CO -0.07 -0.81 -0.13 -1.12 -2.34 0.00 0.00 174.74 170.27 1xn5 s SER 98 N 1.28 2.03 0.00 9.88 0.01 -1.23 -1.50 113.70 124.17 1xn5 s SER 98 Ca 0.03 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.36 1xn5 s SER 98 Cb -0.14 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.03 1xn5 s SER 98 CO -0.12 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 173.92 1xn5 n GLY 99 N 0.06 -0.05 3.29 3.44 0.00 -1.26 -3.71 105.19 106.97 1xn5 n GLY 99 Ca -0.12 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 1.53 0.00 1.61 0.52 -1.26 -4.93 118.94 116.42 1xn5 s TRP 100 Ca 0.00 -1.43 0.00 0.00 0.02 0.00 0.00 56.10 54.69 1xn5 s TRP 100 Cb 0.00 -0.76 0.00 0.00 -1.15 0.00 0.00 33.47 31.56 1xn5 s TRP 100 CO 0.00 -0.62 0.00 1.63 0.02 0.00 0.00 176.95 177.98 1xn5 n LYS 101 N -0.52 1.20 -1.86 4.98 5.02 -1.26 -4.93 118.16 120.80 1xn5 n LYS 101 Ca 0.03 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.91 1xn5 n LYS 101 Cb 0.65 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.65 1xn5 n LYS 101 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1xn5 s GLN 102 N 1.39 4.06 -1.10 1.97 -2.07 -1.26 -3.29 119.66 119.36 1xn5 s GLN 102 Ca 0.00 2.47 -0.26 0.00 -1.82 0.00 0.00 55.36 55.75 1xn5 s GLN 102 Cb 0.00 -2.91 -0.21 0.00 -1.09 0.00 0.00 33.01 28.80 1xn5 s GLN 102 CO 0.00 -0.53 2.10 0.20 -1.32 0.00 0.00 175.29 175.73 1xn5 s GLY 103 N -0.29 -0.95 0.00 2.60 0.00 -1.26 -2.17 107.32 105.24 1xn5 s GLY 103 Ca 0.54 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.69 1xn5 s GLY 103 CO 0.60 4.19 0.00 1.34 0.00 0.00 0.00 173.10 179.23 1xn5 n ASP 104 N 18.98 0.00 -4.51 1.64 2.03 -1.26 -4.99 116.55 128.43 1xn5 n ASP 104 Ca 0.42 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.33 1xn5 n ASP 104 Cb 0.47 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.79 1xn5 n ASP 104 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1xn5 n THR 105 N 0.00 -0.01 -1.02 5.18 -2.24 -0.92 -4.64 114.28 110.63 1xn5 n THR 105 Ca 0.00 -0.42 -0.34 0.00 -2.27 0.00 0.00 64.05 61.02 1xn5 n THR 105 Cb 0.00 -1.78 0.11 0.00 -2.10 0.00 0.00 70.33 66.56 1xn5 n THR 105 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1xn5 n LYS 106 N 8.69 0.01 -2.96 -0.78 4.81 -1.26 -3.83 118.16 122.85 1xn5 n LYS 106 Ca 0.48 0.06 -0.42 0.00 -0.87 0.00 0.00 58.31 57.56 1xn5 n LYS 106 Cb 0.31 -2.07 -0.05 0.00 0.02 0.00 0.00 35.03 33.23 1xn5 n LYS 106 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1xn5 s VAL 107 N -2.19 4.70 -0.52 3.15 1.01 -1.04 -4.79 120.40 120.72 1xn5 s VAL 107 Ca 0.65 0.69 -0.07 0.00 0.00 0.00 0.00 61.98 63.26 1xn5 s VAL 107 Cb -0.28 -4.25 -0.15 0.00 0.00 0.00 0.00 36.38 31.70 1xn5 s VAL 107 CO 0.59 -0.54 3.27 -1.84 0.00 0.00 0.00 175.10 176.57 1xn5 n GLU 108 N 6.53 2.62 0.00 2.72 0.28 -1.26 -3.47 120.64 128.05 1xn5 n GLU 108 Ca 0.03 -1.64 0.00 0.00 -0.16 0.00 0.00 57.16 55.39 1xn5 n GLU 108 Cb 0.48 -2.24 0.00 0.00 1.43 0.00 0.00 31.44 31.11 1xn5 n GLU 108 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1xn5 n LYS 109 N 2.44 0.00 -0.17 3.44 3.00 -1.26 -4.98 118.16 120.63 1xn5 n LYS 109 Ca 0.53 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.73 1xn5 n LYS 109 Cb 0.66 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.63 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 0.77 -0.54 0.00 3.14 0.00 -2.01 -3.46 119.26 117.17 1xn5 h ALA 110 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xn5 h ALA 110 Cb 0.00 1.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1xn5 h ALA 110 CO 0.00 -0.93 0.00 0.41 0.00 0.00 0.00 179.25 178.73 1xn5 n GLY 111 N -1.39 0.76 0.00 0.00 0.00 -1.23 -5.13 105.19 98.20 1xn5 n GLY 111 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1xn5 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xn5 n ALA 112 N 0.00 0.00 -0.99 4.61 0.00 -1.26 -5.05 120.51 117.82 1xn5 n ALA 112 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1xn5 n ALA 112 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1xn5 n ALA 112 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xn5 n GLU 113 N -0.21 -0.02 -0.07 0.00 1.02 -1.26 -2.49 120.64 117.62 1xn5 n GLU 113 Ca 0.00 -0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.00 1xn5 n GLU 113 Cb 0.00 -1.04 -0.01 0.00 -0.02 0.00 0.00 31.44 30.37 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 -1.03 0.90 -0.57 1.62 0.87 -1.82 -1.86 113.55 111.67 1xn5 h SER 114 Ca -0.44 -0.47 -0.04 0.00 -1.23 0.00 0.00 61.79 59.61 1xn5 h SER 114 Cb 1.30 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 1xn5 h SER 114 CO 0.23 1.25 0.20 0.00 -0.53 0.00 0.00 176.83 177.98 1xn5 h ALA 115 N 0.77 0.74 0.29 6.23 0.00 -1.89 1.11 119.26 126.50 1xn5 h ALA 115 Ca 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1xn5 h ALA 115 Cb 1.11 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1xn5 h ALA 115 CO 0.11 0.39 -0.14 0.28 0.00 0.00 0.00 179.25 179.89 1xn5 h VAL 116 N 0.79 0.72 -0.23 0.00 2.07 -1.87 0.26 116.25 117.99 1xn5 h VAL 116 Ca 0.18 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 1xn5 h VAL 116 Cb 0.25 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1xn5 h VAL 116 CO -0.01 0.01 0.10 0.58 0.02 0.00 0.00 177.57 178.26 1xn5 h VAL 117 N -0.41 1.16 -0.49 2.57 2.07 -1.15 0.34 116.25 120.34 1xn5 h VAL 117 Ca -0.04 -0.49 0.10 0.00 0.82 0.00 0.00 66.70 67.08 1xn5 h VAL 117 Cb 0.31 1.06 -0.10 0.00 -1.52 0.00 0.00 31.29 31.04 1xn5 h VAL 117 CO 0.07 0.16 -0.27 -0.74 0.02 0.00 0.00 177.57 176.81 1xn5 h HIS 118 N 0.23 -0.72 0.04 1.57 6.17 0.15 1.21 115.15 123.79 1xn5 h HIS 118 Ca 0.08 0.06 -0.00 0.00 0.71 0.00 0.00 60.37 61.22 1xn5 h HIS 118 Cb 0.17 0.39 0.00 0.00 2.52 0.00 0.00 27.41 30.49 1xn5 h HIS 118 CO -0.01 -0.34 -0.02 0.93 0.71 0.00 0.00 177.93 179.20 1xn5 h GLU 119 N -0.16 -0.05 0.12 5.26 5.08 -0.73 0.18 114.58 124.28 1xn5 h GLU 119 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1xn5 h GLU 119 Cb 0.51 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1xn5 h GLU 119 CO -0.59 0.25 -0.28 0.00 -1.00 0.00 0.00 179.01 177.40 1xn5 h ARG 120 N -0.36 -0.43 -0.32 2.33 3.08 0.68 0.76 114.38 120.12 1xn5 h ARG 120 Ca -0.01 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.13 1xn5 h ARG 120 Cb 0.33 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.42 1xn5 h ARG 120 CO 0.01 -0.29 -0.03 0.52 -1.07 0.00 0.00 179.97 179.11 1xn5 h MET 121 N -0.45 0.05 -0.10 0.04 2.86 0.14 -1.24 114.93 116.22 1xn5 h MET 121 Ca -0.01 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1xn5 h MET 121 Cb 0.43 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.02 1xn5 h MET 121 CO -0.12 0.03 -0.30 0.22 1.06 0.00 0.00 176.91 177.80 1xn5 h ASP 122 N 0.05 -0.93 -0.16 1.22 1.82 -0.35 1.41 116.42 119.49 1xn5 h ASP 122 Ca 0.15 0.13 0.03 0.00 -0.39 0.00 0.00 57.03 56.96 1xn5 h ASP 122 Cb 0.22 0.39 -0.06 0.00 0.68 0.00 0.00 39.33 40.56 1xn5 h ASP 122 CO -0.29 -0.35 -0.49 0.03 -1.61 0.00 0.00 179.24 176.53 1xn5 h ARG 123 N -0.39 -0.48 -0.65 0.28 3.08 0.11 0.33 114.38 116.67 1xn5 h ARG 123 Ca 0.09 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.19 1xn5 h ARG 123 Cb 0.53 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 1xn5 h ARG 123 CO -0.32 -0.32 0.43 0.78 -1.07 0.00 0.00 179.97 179.47 1xn5 h GLY 124 N -0.49 0.90 0.65 0.04 0.00 -0.80 0.30 103.07 103.67 1xn5 h GLY 124 Ca 0.03 -0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.07 1xn5 h GLY 124 CO -0.42 0.30 -0.09 1.49 0.00 0.00 0.00 176.54 177.83 1xn5 h TRP 125 N 0.83 -0.22 -0.02 5.60 -0.00 0.38 1.43 115.95 123.95 1xn5 h TRP 125 Ca 0.25 0.01 -0.00 0.00 -0.00 0.00 0.00 58.89 59.15 1xn5 h TRP 125 Cb -0.02 0.11 -0.00 0.00 -0.00 0.00 0.00 29.16 29.25 1xn5 h TRP 125 CO -0.00 -0.14 0.00 1.25 -0.00 0.00 0.00 178.44 179.55 1xn5 h HIS 126 N -0.11 0.03 -0.85 0.49 2.76 0.37 -1.27 115.15 116.57 1xn5 h HIS 126 Ca 0.07 -0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.35 1xn5 h HIS 126 Cb 0.21 -0.01 -0.08 0.00 1.55 0.00 0.00 27.41 29.08 1xn5 h HIS 126 CO -0.20 0.32 0.47 -0.44 -1.30 0.00 0.00 177.93 176.78 1xn5 h ASP 127 N -0.27 0.65 0.26 3.26 3.32 -0.04 0.16 116.42 123.76 1xn5 h ASP 127 Ca 0.00 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1xn5 h ASP 127 Cb 0.31 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1xn5 h ASP 127 CO 0.00 0.34 -0.13 0.25 -1.72 0.00 0.00 179.24 177.97 1xn5 h LEU 128 N 0.75 -0.32 -3.59 1.55 5.85 0.22 -2.10 115.31 117.67 1xn5 h LEU 128 Ca 0.43 0.01 -0.39 0.00 0.84 0.00 0.00 57.88 58.77 1xn5 h LEU 128 Cb 0.48 0.09 -0.17 0.00 0.37 0.00 0.00 40.66 41.43 1xn5 h LEU 128 CO -0.29 -0.23 0.50 0.55 -0.34 0.00 0.00 178.44 178.64 1xn5 n VAL 129 N -5.25 2.94 0.01 1.05 3.14 -0.50 -0.92 118.33 118.81 1xn5 n VAL 129 Ca -0.10 -1.91 0.00 0.00 -2.96 0.00 0.00 64.34 59.38 1xn5 n VAL 129 Cb 0.17 -1.31 0.00 0.00 -1.06 0.00 0.00 33.84 31.64 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 0.12 0.21 0.00 6.55 5.03 0.44 -4.62 115.26 122.98 1xn5 n ASN 130 Ca 0.36 0.03 0.00 0.00 0.87 0.00 0.00 54.58 55.85 1xn5 n ASN 130 Cb 0.59 -0.06 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 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 -2.70 2.30 -0.25 3.52 0.28 -1.12 -4.12 120.64 118.53 1xn5 n GLU 131 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.05 1xn5 n GLU 131 Cb 0.00 -1.00 0.29 0.00 1.43 0.00 0.00 31.44 32.16 1xn5 n GLU 131 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xn5 h ARG 132 N 0.00 0.89 0.09 3.44 2.47 -1.58 0.37 114.38 120.06 1xn5 h ARG 132 Ca 0.00 -0.05 -0.23 0.00 -1.26 0.00 0.00 59.98 58.43 1xn5 h ARG 132 Cb 0.99 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 29.11 1xn5 h ARG 132 CO 0.00 0.59 -1.18 1.25 0.56 0.00 0.00 179.97 181.19 1xn5 h LEU 133 N 0.92 0.31 -1.42 3.04 5.85 -1.29 -3.33 115.31 119.39 1xn5 h LEU 133 Ca 0.36 -0.84 0.17 0.00 0.84 0.00 0.00 57.88 58.40 1xn5 h LEU 133 Cb 0.22 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 1xn5 h LEU 133 CO -0.13 1.52 0.57 -0.09 -0.34 0.00 0.00 178.44 179.96 1xn5 h ARG 134 N -0.46 0.52 0.00 1.25 2.43 -1.63 0.55 114.38 117.04 1xn5 h ARG 134 Ca -0.26 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.86 1xn5 h ARG 134 Cb 1.62 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 31.05 1xn5 h ARG 134 CO 0.03 0.34 -0.09 0.37 -1.51 0.00 0.00 179.97 179.12 1xn5 h GLN 135 N 0.54 0.00 0.00 0.20 -0.00 -0.38 1.46 115.11 116.93 1xn5 h GLN 135 Ca 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 59.08 1xn5 h GLN 135 Cb 0.90 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.38 1xn5 h GLN 135 CO -0.18 0.09 -0.05 0.82 0.00 0.00 0.00 178.83 179.51 1xn5 h ILE 136 N 0.00 0.31 0.00 2.39 1.08 -0.01 -2.79 117.51 118.49 1xn5 h ILE 136 Ca -0.00 -0.28 -0.17 0.00 -0.39 0.00 0.00 64.86 64.02 1xn5 h ILE 136 Cb 0.18 1.21 -0.03 0.00 -3.07 0.00 0.00 36.82 35.11 1xn5 h ILE 136 CO 0.01 0.05 -1.64 1.33 -0.69 0.00 0.00 178.15 177.21 1xn5 n VAL 137 N -3.43 0.64 1.43 1.67 0.24 0.09 -5.02 118.33 113.96 1xn5 n VAL 137 Ca -0.02 -0.38 0.14 0.00 -2.04 0.00 0.00 64.34 62.04 1xn5 n VAL 137 Cb 0.17 -0.77 0.47 0.00 -1.47 0.00 0.00 33.84 32.24 1xn5 n VAL 137 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07