#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 -0.27 -1.43 3.17 -1.04 -1.26 -5.03 114.28 108.41 1xn5 n THR 2 Ca 0.00 0.51 0.00 0.00 -2.04 0.00 0.00 64.05 62.52 1xn5 n THR 2 Cb 0.00 -0.88 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 1xn5 n THR 2 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1xn5 n ARG 3 N -3.86 -4.08 -1.58 -2.82 0.63 -1.26 -4.65 116.66 99.05 1xn5 n ARG 3 Ca -0.05 3.05 -0.63 0.00 -0.92 0.00 0.00 57.85 59.31 1xn5 n ARG 3 Cb 0.52 -3.48 -0.10 0.00 0.45 0.00 0.00 32.46 29.85 1xn5 n ARG 3 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1xn5 n LEU 4 N -1.10 1.36 -4.77 6.15 4.77 -1.23 -4.89 117.00 117.29 1xn5 n LEU 4 Ca 0.00 0.96 -0.30 0.00 -0.03 0.00 0.00 56.01 56.65 1xn5 n LEU 4 Cb 0.05 -0.96 0.19 0.00 -2.33 0.00 0.00 43.42 40.37 1xn5 n LEU 4 CO 0.00 -0.74 0.74 -2.16 -1.33 0.00 0.00 177.39 173.91 1xn5 s PRO 5 N 4.21 0.14 0.12 3.23 0.04 -1.26 -4.85 135.00 136.62 1xn5 s PRO 5 Ca 1.08 -0.10 -0.31 0.00 0.04 0.00 0.00 61.00 61.72 1xn5 s PRO 5 Cb -1.37 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 31.33 1xn5 s PRO 5 CO 0.72 -2.80 1.38 -0.51 0.04 0.00 0.00 177.00 175.83 1xn5 s ASP 6 N -4.31 6.83 -1.26 6.66 1.11 -1.26 -4.87 116.67 119.57 1xn5 s ASP 6 Ca 0.70 2.33 -0.08 0.00 0.18 0.00 0.00 52.55 55.68 1xn5 s ASP 6 Cb -0.09 -2.59 -0.09 0.00 1.07 0.00 0.00 42.92 41.23 1xn5 s ASP 6 CO 0.54 -0.64 2.69 -0.38 1.18 0.00 0.00 175.17 178.56 1xn5 n ILE 7 N 3.85 3.55 -2.88 0.77 5.41 -0.61 -4.88 119.36 124.57 1xn5 n ILE 7 Ca 0.11 -2.09 -0.42 0.00 1.00 0.00 0.00 62.75 61.35 1xn5 n ILE 7 Cb 0.42 -2.40 -0.04 0.00 -0.71 0.00 0.00 39.64 36.91 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 2.52 4.15 0.21 0.38 2.20 -1.26 -3.45 119.74 124.49 1xn5 s LYS 8 Ca 0.59 0.91 0.06 0.00 -0.36 0.00 0.00 55.97 57.16 1xn5 s LYS 8 Cb 0.16 -3.66 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 1xn5 s LYS 8 CO -0.05 -0.57 -0.08 0.15 -0.36 0.00 0.00 175.35 174.45 1xn5 s LYS 9 N 2.91 1.31 -0.05 4.03 -0.14 -0.03 -4.98 119.74 122.79 1xn5 s LYS 9 Ca 0.35 -1.62 -0.04 0.00 -1.36 0.00 0.00 55.97 53.31 1xn5 s LYS 9 Cb -0.15 -0.87 0.02 0.00 -1.68 0.00 0.00 37.83 35.15 1xn5 s LYS 9 CO 0.08 0.05 0.12 -2.00 -0.76 0.00 0.00 175.35 172.84 1xn5 s GLU 10 N -3.75 0.13 0.08 1.68 -6.30 -1.26 -0.26 118.70 109.02 1xn5 s GLU 10 Ca 0.24 0.19 0.02 0.00 -2.50 0.00 0.00 54.97 52.92 1xn5 s GLU 10 Cb 0.03 0.02 -0.04 0.00 0.00 0.00 0.00 34.13 34.15 1xn5 s GLU 10 CO 0.07 -0.04 -0.08 0.14 0.02 0.00 0.00 175.26 175.37 1xn5 s VAL 11 N 0.24 0.71 -0.11 3.70 -7.23 0.19 -5.01 120.40 112.89 1xn5 s VAL 11 Ca -0.01 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 1xn5 s VAL 11 Cb -0.03 -1.34 0.02 0.00 0.56 0.00 0.00 36.38 35.60 1xn5 s VAL 11 CO -0.01 -0.68 -0.09 -0.60 -0.31 0.00 0.00 175.10 173.41 1xn5 s ARG 12 N -3.03 1.63 0.10 4.82 3.52 -1.26 -1.88 118.95 122.85 1xn5 s ARG 12 Ca 0.05 -0.31 0.07 0.00 -0.13 0.00 0.00 55.73 55.41 1xn5 s ARG 12 Cb -0.00 -1.61 -0.03 0.00 -1.56 0.00 0.00 34.95 31.75 1xn5 s ARG 12 CO -0.02 -0.22 -0.18 -0.06 -0.81 0.00 0.00 175.30 174.01 1xn5 s PHE 13 N 1.52 1.62 -0.28 5.12 0.08 -1.18 -5.04 117.98 119.81 1xn5 s PHE 13 Ca 0.02 -0.45 -0.23 0.00 0.12 0.00 0.00 56.93 56.39 1xn5 s PHE 13 Cb -0.13 -0.88 -0.01 0.00 -0.57 0.00 0.00 43.02 41.44 1xn5 s PHE 13 CO -0.07 0.18 0.75 -0.80 -0.10 0.00 0.00 175.22 175.18 1xn5 s ASN 14 N -2.00 6.67 0.00 1.36 0.01 -1.26 -2.35 114.94 117.36 1xn5 s ASN 14 Ca 0.06 0.73 0.00 0.00 -0.71 0.00 0.00 52.86 52.94 1xn5 s ASN 14 Cb -0.09 -2.39 0.00 0.00 0.41 0.00 0.00 41.25 39.18 1xn5 s ASN 14 CO 0.04 -0.53 0.00 0.00 -1.51 0.00 0.00 177.10 175.10 1xn5 n ALA 15 N 6.03 0.00 -2.44 0.60 0.00 -1.26 -4.81 120.51 118.63 1xn5 n ALA 15 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 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 4.37 0.60 0.00 0.04 -1.26 -3.65 135.00 133.10 1xn5 s PRO 16 Ca 0.00 1.71 0.28 0.00 0.04 0.00 0.00 61.00 63.03 1xn5 s PRO 16 Cb 0.00 -3.50 1.37 0.00 0.04 0.00 0.00 34.50 32.41 1xn5 s PRO 16 CO 0.00 -0.40 1.78 0.97 0.04 0.00 0.00 177.00 179.39 1xn5 h ILE 17 N 4.87 0.26 -0.41 0.56 2.10 -1.97 0.51 117.51 123.44 1xn5 h ILE 17 Ca -0.36 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.56 1xn5 h ILE 17 Cb 1.18 0.50 -0.02 0.00 -1.09 0.00 0.00 36.82 37.38 1xn5 h ILE 17 CO 0.86 0.00 0.20 -0.08 -1.08 0.00 0.00 178.15 178.05 1xn5 h GLU 18 N 0.00 0.59 0.22 2.19 4.81 -1.98 1.07 114.58 121.48 1xn5 h GLU 18 Ca 0.25 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1xn5 h GLU 18 Cb 1.50 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.77 1xn5 h GLU 18 CO -0.00 0.51 -0.10 -0.22 -0.73 0.00 0.00 179.01 178.47 1xn5 h LYS 19 N 0.52 -0.28 -0.65 1.92 3.64 -0.37 0.86 116.57 122.21 1xn5 h LYS 19 Ca 0.14 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 1xn5 h LYS 19 Cb 0.12 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1xn5 h LYS 19 CO -0.02 0.03 0.38 0.28 -2.27 0.00 0.00 179.45 177.85 1xn5 h VAL 20 N -0.61 1.01 0.35 2.00 2.07 -1.34 0.63 116.25 120.36 1xn5 h VAL 20 Ca -0.03 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1xn5 h VAL 20 Cb 0.44 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1xn5 h VAL 20 CO 0.05 0.13 -0.31 -0.25 0.02 0.00 0.00 177.57 177.21 1xn5 h TRP 21 N 0.72 -0.84 0.00 1.57 -0.00 0.13 0.10 115.95 117.63 1xn5 h TRP 21 Ca 0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.17 1xn5 h TRP 21 Cb 0.12 0.32 -0.00 0.00 -0.00 0.00 0.00 29.16 29.60 1xn5 h TRP 21 CO -0.07 -0.45 -0.01 0.93 -0.00 0.00 0.00 178.44 178.84 1xn5 h GLU 22 N -0.68 0.00 0.00 2.65 4.39 -0.20 0.35 114.58 121.09 1xn5 h GLU 22 Ca -0.02 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 1xn5 h GLU 22 Cb 0.61 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1xn5 h GLU 22 CO -0.04 0.01 -0.45 0.00 -1.16 0.00 0.00 179.01 177.37 1xn5 h ALA 23 N 1.99 0.93 -0.39 3.43 0.00 0.21 -0.81 119.26 124.62 1xn5 h ALA 23 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1xn5 h ALA 23 Cb 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xn5 h ALA 23 CO 0.00 0.57 0.00 1.33 0.00 0.00 0.00 179.25 181.15 1xn5 n VAL 24 N -3.54 1.44 -0.03 0.00 0.24 0.68 -1.90 118.33 115.23 1xn5 n VAL 24 Ca -0.00 -1.25 -0.03 0.00 -2.04 0.00 0.00 64.34 61.02 1xn5 n VAL 24 Cb 0.57 0.26 -0.05 0.00 -1.47 0.00 0.00 33.84 33.15 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 0.39 3.59 -4.96 -1.34 3.41 0.88 -4.87 113.62 110.73 1xn5 n SER 25 Ca 0.17 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.55 1xn5 n SER 25 Cb 0.62 0.67 -0.00 0.00 -0.26 0.00 0.00 64.21 65.24 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 -2.15 4.51 -0.09 6.66 -4.23 -0.34 -2.37 115.64 117.63 1xn5 s THR 26 Ca -0.03 -0.64 -0.25 0.00 -1.18 0.00 0.00 61.69 59.59 1xn5 s THR 26 Cb 0.02 -3.63 -0.29 0.00 1.34 0.00 0.00 72.50 69.94 1xn5 s THR 26 CO 0.24 -0.37 0.83 0.28 -0.54 0.00 0.00 174.62 175.05 1xn5 h SER 27 N 0.70 0.26 -0.57 3.99 0.02 -1.86 -2.30 113.55 113.78 1xn5 h SER 27 Ca -0.48 -0.97 -0.02 0.00 -0.84 0.00 0.00 61.79 59.48 1xn5 h SER 27 Cb 1.24 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.67 1xn5 h SER 27 CO 0.58 1.22 0.31 -0.08 -1.14 0.00 0.00 176.83 177.72 1xn5 h GLU 28 N -0.65 0.84 -0.30 3.45 4.22 -1.90 0.75 114.58 120.98 1xn5 h GLU 28 Ca -0.08 -0.10 -0.19 0.00 0.08 0.00 0.00 59.36 59.07 1xn5 h GLU 28 Cb 1.36 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1xn5 h GLU 28 CO 0.08 0.63 -0.54 0.78 -2.18 0.00 0.00 179.01 177.78 1xn5 h GLY 29 N 0.92 0.98 0.41 1.92 0.00 -1.78 -1.79 103.07 103.72 1xn5 h GLY 29 Ca 0.21 -1.13 -0.01 0.00 0.00 0.00 0.00 47.33 46.40 1xn5 h GLY 29 CO -0.03 1.02 -0.10 1.41 0.00 0.00 0.00 176.54 178.84 1xn5 h LEU 30 N 0.69 -0.23 -1.85 3.11 3.38 -0.77 -2.92 115.31 116.73 1xn5 h LEU 30 Ca 0.02 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1xn5 h LEU 30 Cb 1.15 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1xn5 h LEU 30 CO 0.12 0.29 0.17 0.00 0.09 0.00 0.00 178.44 179.11 1xn5 h ALA 31 N -0.35 1.15 0.00 1.53 0.00 0.55 1.80 119.26 123.94 1xn5 h ALA 31 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1xn5 h ALA 31 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1xn5 h ALA 31 CO 0.04 -0.15 -0.16 0.35 0.00 0.00 0.00 179.25 179.33 1xn5 h PHE 32 N 0.00 0.00 0.00 0.00 3.04 -1.11 -3.33 116.94 115.54 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 0.34 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.85 1xn5 h PHE 32 CO 0.00 0.16 -0.58 -2.67 -2.02 0.00 0.00 178.31 173.20 1xn5 n TRP 33 N -3.90 -0.02 0.00 0.41 4.27 1.00 -4.98 117.44 114.21 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 0.26 0.20 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 -2.81 0.00 -3.61 -2.67 7.35 0.57 -5.00 117.46 111.29 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 0.29 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.10 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 0.24 0.27 -4.13 -1.94 -1.21 -4.88 119.30 107.63 1xn5 s MET 35 Ca 0.00 -0.10 -0.28 0.00 -1.71 0.00 0.00 55.69 53.60 1xn5 s MET 35 Cb 0.00 0.11 -0.15 0.00 2.01 0.00 0.00 34.83 36.80 1xn5 s MET 35 CO 0.00 -0.11 0.86 0.39 -0.01 0.00 0.00 175.02 176.15 1xn5 n GLU 36 N -0.14 0.94 -3.87 2.03 1.02 -1.26 -3.19 120.64 116.17 1xn5 n GLU 36 Ca 0.00 0.33 -0.03 0.00 -0.02 0.00 0.00 57.16 57.44 1xn5 n GLU 36 Cb 0.59 -1.59 0.02 0.00 -0.02 0.00 0.00 31.44 30.43 1xn5 n GLU 36 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1xn5 s ASN 37 N -0.70 -0.01 -0.11 1.62 2.20 -1.26 -3.50 114.94 113.19 1xn5 s ASN 37 Ca 0.60 -0.68 0.15 0.00 -0.94 0.00 0.00 52.86 52.00 1xn5 s ASN 37 Cb -0.77 0.51 0.34 0.00 -2.00 0.00 0.00 41.25 39.34 1xn5 s ASN 37 CO 0.59 -1.02 1.16 -0.67 -2.94 0.00 0.00 177.10 174.22 1xn5 n ASP 38 N -1.18 1.40 -4.75 3.54 2.03 -1.23 -4.79 116.55 111.57 1xn5 n ASP 38 Ca -0.03 -2.95 -0.34 0.00 0.52 0.00 0.00 54.79 51.98 1xn5 n ASP 38 Cb 0.60 -0.40 0.05 0.00 -0.72 0.00 0.00 41.12 40.65 1xn5 n ASP 38 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1xn5 s LEU 39 N -1.82 3.48 -0.16 -2.67 0.20 -1.26 -4.76 118.68 111.69 1xn5 s LEU 39 Ca 0.30 2.21 0.17 0.00 0.69 0.00 0.00 54.13 57.50 1xn5 s LEU 39 Cb 0.30 -4.58 0.36 0.00 -0.43 0.00 0.00 46.19 41.85 1xn5 s LEU 39 CO -0.07 -1.74 1.21 0.29 -0.29 0.00 0.00 176.35 175.76 1xn5 n LYS 40 N -2.15 0.85 -3.82 1.98 5.02 -1.25 -3.32 118.16 115.47 1xn5 n LYS 40 Ca 0.12 -2.07 -0.31 0.00 -2.02 0.00 0.00 58.31 54.04 1xn5 n LYS 40 Cb 0.51 -0.29 0.01 0.00 -0.02 0.00 0.00 35.03 35.24 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 -0.43 -2.70 -3.63 7.82 0.00 -1.00 -4.96 120.51 115.61 1xn5 n ALA 41 Ca -0.06 -0.35 -0.18 0.00 0.00 0.00 0.00 53.44 52.85 1xn5 n ALA 41 Cb 0.89 -1.75 -0.15 0.00 0.00 0.00 0.00 19.45 18.43 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 -5.70 0.06 0.35 0.00 2.12 -1.26 -4.96 118.70 109.31 1xn5 s GLU 42 Ca 0.21 0.42 -0.29 0.00 0.36 0.00 0.00 54.97 55.67 1xn5 s GLU 42 Cb -0.10 -0.63 -0.11 0.00 0.26 0.00 0.00 34.13 33.55 1xn5 s GLU 42 CO 0.91 -0.41 1.52 -0.08 -0.54 0.00 0.00 175.26 176.65 1xn5 s THR 43 N 2.28 2.05 -0.97 -1.70 -1.32 -1.26 -2.46 115.64 112.25 1xn5 s THR 43 Ca 0.04 0.04 -0.06 0.00 -1.21 0.00 0.00 61.69 60.51 1xn5 s THR 43 Cb -0.13 -3.03 0.01 0.00 -1.51 0.00 0.00 72.50 67.84 1xn5 s THR 43 CO -0.07 0.01 0.85 0.61 -2.21 0.00 0.00 174.62 173.80 1xn5 n GLY 44 N 0.97 -0.14 4.01 6.08 0.00 -1.09 -5.01 105.19 110.01 1xn5 n GLY 44 Ca 0.03 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.24 2.59 -0.19 1.61 2.46 -1.03 -4.96 115.29 112.54 1xn5 s HIS 45 Ca 0.37 -0.43 -0.02 0.00 0.47 0.00 0.00 55.06 55.45 1xn5 s HIS 45 Cb -0.16 -2.37 0.06 0.00 -0.13 0.00 0.00 32.58 29.97 1xn5 s HIS 45 CO 0.53 -0.56 0.01 -3.38 -2.47 0.00 0.00 174.74 168.87 1xn5 s HIS 46 N -2.42 1.31 -0.02 3.88 -3.43 -1.26 -3.67 115.29 109.68 1xn5 s HIS 46 Ca 0.56 -0.98 -0.01 0.00 -0.80 0.00 0.00 55.06 53.83 1xn5 s HIS 46 Cb -0.09 -1.14 0.02 0.00 -1.43 0.00 0.00 32.58 29.94 1xn5 s HIS 46 CO 0.34 -0.62 0.06 -0.59 -2.00 0.00 0.00 174.74 171.93 1xn5 s PHE 47 N 1.76 -0.04 0.61 0.38 -0.71 -0.92 -4.96 117.98 114.09 1xn5 s PHE 47 Ca -0.01 0.17 -0.02 0.00 -1.04 0.00 0.00 56.93 56.03 1xn5 s PHE 47 Cb -0.17 -0.07 0.04 0.00 -1.21 0.00 0.00 43.02 41.62 1xn5 s PHE 47 CO -0.07 -0.06 0.87 -1.01 -1.34 0.00 0.00 175.22 173.60 1xn5 s HIS 48 N 0.47 2.90 -0.02 3.49 3.76 -1.26 -0.30 115.29 124.33 1xn5 s HIS 48 Ca -0.04 0.19 0.02 0.00 -0.15 0.00 0.00 55.06 55.08 1xn5 s HIS 48 Cb -0.05 -2.91 0.00 0.00 1.11 0.00 0.00 32.58 30.73 1xn5 s HIS 48 CO -0.02 -1.06 -0.09 -1.17 -0.85 0.00 0.00 174.74 171.56 1xn5 s LEU 49 N -4.95 1.80 -1.04 0.89 2.96 0.00 -3.55 118.68 114.80 1xn5 s LEU 49 Ca 0.58 -0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 54.26 1xn5 s LEU 49 Cb -0.10 -0.53 0.28 0.00 0.50 0.00 0.00 46.19 46.34 1xn5 s LEU 49 CO 0.41 0.06 1.15 0.00 -1.32 0.00 0.00 176.35 176.66 1xn5 n GLN 50 N 3.27 3.62 -2.50 1.98 1.13 -1.23 -2.28 117.38 121.37 1xn5 n GLN 50 Ca -0.18 -4.51 -0.26 0.00 -1.94 0.00 0.00 57.00 50.12 1xn5 n GLN 50 Cb 0.54 -2.49 0.03 0.00 0.11 0.00 0.00 30.24 28.43 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 -0.19 5.57 0.06 1.08 1.04 -1.26 -4.62 113.70 115.37 1xn5 s SER 51 Ca 0.31 0.59 -0.16 0.00 0.48 0.00 0.00 55.95 57.17 1xn5 s SER 51 Cb -0.03 -1.60 -0.21 0.00 0.10 0.00 0.00 66.02 64.27 1xn5 s SER 51 CO -0.02 -1.03 1.19 1.55 0.98 0.00 0.00 173.24 175.90 1xn5 h PRO 52 N -0.09 0.61 -1.98 4.02 0.13 -2.01 -3.29 132.00 129.40 1xn5 h PRO 52 Ca -0.45 -0.60 -0.24 0.00 -0.87 0.00 0.00 66.00 63.84 1xn5 h PRO 52 Cb 1.26 0.16 -0.09 0.00 0.13 0.00 0.00 31.00 32.46 1xn5 h PRO 52 CO 0.60 1.21 -0.13 0.34 -0.23 0.00 0.00 178.00 179.79 1xn5 n PHE 53 N -4.03 0.43 0.00 1.56 -0.00 -1.26 -4.85 117.46 109.30 1xn5 n PHE 53 Ca -0.10 -1.56 0.00 0.00 -0.00 0.00 0.00 57.45 55.79 1xn5 n PHE 53 Cb 0.75 -1.38 0.00 0.00 -0.00 0.00 0.00 39.48 38.85 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 1.91 -2.02 3.78 7.13 0.00 -1.24 -4.98 105.19 109.77 1xn5 n GLY 54 Ca 0.38 -1.22 -0.37 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 -5.54 4.22 0.00 1.61 0.04 -1.26 -4.24 135.00 129.83 1xn5 s PRO 55 Ca 0.00 1.56 -0.02 0.00 0.04 0.00 0.00 61.00 62.58 1xn5 s PRO 55 Cb 0.00 -2.63 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 1xn5 s PRO 55 CO 0.00 -0.10 0.03 0.45 0.04 0.00 0.00 177.00 177.41 1xn5 s SER 56 N -1.46 0.08 0.86 6.66 0.15 -0.97 -4.96 113.70 114.06 1xn5 s SER 56 Ca 0.56 -0.18 -0.12 0.00 0.70 0.00 0.00 55.95 56.91 1xn5 s SER 56 Cb -0.24 0.10 0.11 0.00 -1.71 0.00 0.00 66.02 64.29 1xn5 s SER 56 CO 0.30 -0.17 1.12 -2.16 1.20 0.00 0.00 173.24 173.53 1xn5 s PRO 57 N -0.73 1.53 0.07 5.44 0.04 -1.26 -0.81 135.00 139.27 1xn5 s PRO 57 Ca -0.08 0.42 -0.13 0.00 0.04 0.00 0.00 61.00 61.25 1xn5 s PRO 57 Cb -0.05 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.64 1xn5 s PRO 57 CO -0.00 -1.96 0.30 0.00 0.04 0.00 0.00 177.00 175.38 1xn5 s GLN 59 N -3.02 0.32 0.50 0.00 0.74 -1.24 -2.17 119.66 114.78 1xn5 s GLN 59 Ca -0.02 0.99 -0.23 0.00 0.05 0.00 0.00 55.36 56.15 1xn5 s GLN 59 Cb 0.01 0.27 -0.06 0.00 1.10 0.00 0.00 33.01 34.32 1xn5 s GLN 59 CO -0.06 -0.28 1.37 0.08 -0.55 0.00 0.00 175.29 175.84 1xn5 s VAL 60 N 2.61 2.16 -0.08 1.34 1.01 -1.24 -2.43 120.40 123.78 1xn5 s VAL 60 Ca -0.00 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.16 1xn5 s VAL 60 Cb -0.12 -3.07 -0.08 0.00 0.00 0.00 0.00 36.38 33.10 1xn5 s VAL 60 CO -0.13 0.01 0.00 0.35 0.00 0.00 0.00 175.10 175.33 1xn5 n THR 61 N -0.61 0.50 -3.66 3.92 -2.24 -1.14 -2.68 114.28 108.37 1xn5 n THR 61 Ca 0.08 -0.29 -0.12 0.00 -2.27 0.00 0.00 64.05 61.45 1xn5 n THR 61 Cb 0.44 -0.81 -0.08 0.00 -2.10 0.00 0.00 70.33 67.78 1xn5 n THR 61 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1xn5 s ASP 62 N -4.09 -0.69 -0.30 3.42 1.01 -1.24 -4.71 116.67 110.06 1xn5 s ASP 62 Ca -0.05 1.27 -0.05 0.00 0.71 0.00 0.00 52.55 54.42 1xn5 s ASP 62 Cb 0.02 1.24 0.19 0.00 1.01 0.00 0.00 42.92 45.38 1xn5 s ASP 62 CO 0.28 -0.22 0.79 0.54 0.21 0.00 0.00 175.17 176.77 1xn5 s VAL 63 N 0.70 -0.71 -0.28 -1.27 0.11 -1.26 -1.28 120.40 116.41 1xn5 s VAL 63 Ca -0.03 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.03 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 -0.05 0.00 0.46 -0.70 -3.33 0.00 0.00 175.10 171.48 1xn5 s GLU 64 N 2.90 0.44 0.50 1.54 2.56 -1.21 -4.53 118.70 120.91 1xn5 s GLU 64 Ca 0.13 0.46 0.00 0.00 0.00 0.00 0.00 54.97 55.56 1xn5 s GLU 64 Cb -0.11 -0.13 0.00 0.00 2.00 0.00 0.00 34.13 35.89 1xn5 s GLU 64 CO -0.19 -0.85 0.00 0.54 -0.56 0.00 0.00 175.26 174.20 1xn5 n ARG 65 N 5.38 -3.07 -1.45 4.30 3.00 -1.26 -4.08 116.66 119.47 1xn5 n ARG 65 Ca -0.00 2.34 -0.43 0.00 -0.01 0.00 0.00 57.85 59.76 1xn5 n ARG 65 Cb 0.51 -3.68 -0.03 0.00 0.00 0.00 0.00 32.46 29.25 1xn5 n ARG 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1xn5 n PRO 66 N -4.25 2.15 0.00 5.56 -0.04 -1.26 -3.56 135.00 133.60 1xn5 n PRO 66 Ca -0.05 -2.22 0.00 0.00 -0.04 0.00 0.00 63.50 61.19 1xn5 n PRO 66 Cb 0.68 -3.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 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 5.63 0.00 -4.11 0.52 -6.64 -1.26 -4.08 119.36 109.42 1xn5 n ILE 67 Ca 0.51 0.00 -0.15 0.00 -1.77 0.00 0.00 62.75 61.34 1xn5 n ILE 67 Cb 0.40 -0.30 -0.14 0.00 -1.44 0.00 0.00 39.64 38.16 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 -1.70 0.37 -0.26 6.28 2.20 -1.23 -3.34 119.74 122.05 1xn5 s LYS 68 Ca 0.00 -0.19 -0.14 0.00 -0.36 0.00 0.00 55.97 55.28 1xn5 s LYS 68 Cb 0.00 -0.34 0.08 0.00 -1.51 0.00 0.00 37.83 36.06 1xn5 s LYS 68 CO 0.00 0.09 0.63 -1.17 -0.36 0.00 0.00 175.35 174.54 1xn5 s LEU 69 N -0.18 -0.83 0.01 5.43 2.96 -0.79 -3.28 118.68 121.99 1xn5 s LEU 69 Ca 0.01 1.41 -0.06 0.00 -0.22 0.00 0.00 54.13 55.27 1xn5 s LEU 69 Cb -0.02 2.17 -0.00 0.00 0.50 0.00 0.00 46.19 48.83 1xn5 s LEU 69 CO -0.00 -0.23 0.11 -0.55 -1.32 0.00 0.00 176.35 174.36 1xn5 s SER 70 N 1.83 0.08 -0.23 3.68 0.15 -0.40 0.10 113.70 118.91 1xn5 s SER 70 Ca -0.09 -0.30 -0.20 0.00 0.70 0.00 0.00 55.95 56.06 1xn5 s SER 70 Cb -0.07 0.19 0.06 0.00 -1.71 0.00 0.00 66.02 64.49 1xn5 s SER 70 CO -0.18 -0.38 0.60 0.72 1.20 0.00 0.00 173.24 175.20 1xn5 s PHE 71 N -1.55 -0.67 0.45 3.44 -0.12 -1.14 -2.89 117.98 115.50 1xn5 s PHE 71 Ca -0.14 1.62 -0.08 0.00 -0.05 0.00 0.00 56.93 58.28 1xn5 s PHE 71 Cb -0.07 0.24 -0.05 0.00 -0.63 0.00 0.00 43.02 42.51 1xn5 s PHE 71 CO 0.00 -0.32 0.79 0.95 -0.05 0.00 0.00 175.22 176.59 1xn5 s THR 72 N 0.38 4.84 -0.16 -4.49 -4.23 -1.02 -3.49 115.64 107.47 1xn5 s THR 72 Ca -0.01 0.45 -0.12 0.00 -1.18 0.00 0.00 61.69 60.83 1xn5 s THR 72 Cb -0.04 -3.80 0.05 0.00 1.34 0.00 0.00 72.50 70.05 1xn5 s THR 72 CO -0.00 -0.70 0.40 0.86 -0.54 0.00 0.00 174.62 174.64 1xn5 s TRP 73 N -2.57 -0.50 0.43 3.99 -0.00 -1.18 -3.67 118.94 115.45 1xn5 s TRP 73 Ca 0.50 1.15 0.00 0.00 -0.00 0.00 0.00 56.10 57.74 1xn5 s TRP 73 Cb -0.10 0.19 0.00 0.00 -0.00 0.00 0.00 33.47 33.56 1xn5 s TRP 73 CO 0.38 -0.26 0.00 -0.25 -0.00 0.00 0.00 176.95 176.82 1xn5 n ASP 74 N 3.44 -8.76 -2.01 5.86 8.00 -1.17 -4.08 116.55 117.83 1xn5 n ASP 74 Ca -0.17 0.85 -0.24 0.00 0.71 0.00 0.00 54.79 55.94 1xn5 n ASP 74 Cb 0.56 -4.62 0.03 0.00 -0.02 0.00 0.00 41.12 37.07 1xn5 n ASP 74 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1xn5 n THR 75 N -4.31 2.60 -0.06 -3.53 -2.24 -1.26 -4.57 114.28 100.91 1xn5 n THR 75 Ca -0.02 -4.10 -0.04 0.00 -2.27 0.00 0.00 64.05 57.62 1xn5 n THR 75 Cb 0.68 -1.12 -0.12 0.00 -2.10 0.00 0.00 70.33 67.68 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 -0.74 1.38 0.00 3.42 2.03 -1.26 -5.01 116.55 116.37 1xn5 n ASP 76 Ca 0.45 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.76 1xn5 n ASP 76 Cb 0.94 1.03 0.00 0.00 -0.72 0.00 0.00 41.12 42.37 1xn5 n ASP 76 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xn5 n GLY 77 N 2.00 1.12 3.27 0.27 0.00 -1.26 -5.11 105.19 105.48 1xn5 n GLY 77 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.00 3.17 -0.01 1.61 0.52 -1.26 -4.39 118.94 116.58 1xn5 s TRP 78 Ca 0.00 -1.34 0.05 0.00 0.02 0.00 0.00 56.10 54.83 1xn5 s TRP 78 Cb 0.00 -2.19 -0.01 0.00 -1.15 0.00 0.00 33.47 30.12 1xn5 s TRP 78 CO 0.00 -0.68 -0.15 -1.12 0.02 0.00 0.00 176.95 175.02 1xn5 s SER 79 N 1.40 1.79 -0.03 2.95 0.01 -1.25 -3.08 113.70 115.50 1xn5 s SER 79 Ca -0.00 -0.28 0.05 0.00 1.31 0.00 0.00 55.95 57.02 1xn5 s SER 79 Cb -0.18 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 65.85 1xn5 s SER 79 CO 0.00 0.18 -0.17 0.54 0.41 0.00 0.00 173.24 174.20 1xn5 s VAL 80 N -0.38 1.42 -0.07 3.43 0.11 -1.23 -3.10 120.40 120.59 1xn5 s VAL 80 Ca 0.06 -0.73 0.05 0.00 -2.93 0.00 0.00 61.98 58.43 1xn5 s VAL 80 Cb -0.06 -1.21 -0.00 0.00 -1.53 0.00 0.00 36.38 33.58 1xn5 s VAL 80 CO -0.00 0.41 -0.22 -0.89 -3.33 0.00 0.00 175.10 171.06 1xn5 s THR 81 N -0.09 1.86 -0.04 5.04 2.01 -0.65 -2.90 115.64 120.88 1xn5 s THR 81 Ca -0.01 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 61.04 1xn5 s THR 81 Cb -0.10 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1xn5 s THR 81 CO 0.01 0.52 0.03 -0.36 -0.69 0.00 0.00 174.62 174.13 1xn5 s PHE 82 N 0.05 3.19 -0.16 4.92 0.08 0.29 -1.63 117.98 124.72 1xn5 s PHE 82 Ca -0.08 0.18 0.00 0.00 0.12 0.00 0.00 56.93 57.15 1xn5 s PHE 82 Cb -0.14 -1.75 0.03 0.00 -0.57 0.00 0.00 43.02 40.59 1xn5 s PHE 82 CO 0.05 0.50 -0.09 -1.01 -0.10 0.00 0.00 175.22 174.57 1xn5 s HIS 83 N -1.03 1.96 0.16 0.36 3.76 0.43 -1.89 115.29 119.03 1xn5 s HIS 83 Ca 0.18 -1.19 0.07 0.00 -0.15 0.00 0.00 55.06 53.97 1xn5 s HIS 83 Cb -0.12 -1.45 -0.04 0.00 1.11 0.00 0.00 32.58 32.08 1xn5 s HIS 83 CO 0.08 -0.64 -0.02 -0.51 -0.85 0.00 0.00 174.74 172.79 1xn5 s LEU 84 N 1.55 3.26 -0.30 0.89 1.02 -1.21 -0.69 118.68 123.20 1xn5 s LEU 84 Ca 0.02 -0.39 -0.13 0.00 0.02 0.00 0.00 54.13 53.65 1xn5 s LEU 84 Cb -0.14 -1.94 0.18 0.00 0.02 0.00 0.00 46.19 44.30 1xn5 s LEU 84 CO -0.09 0.11 1.02 -1.59 0.02 0.00 0.00 176.35 175.82 1xn5 s LYS 85 N -2.77 0.24 0.28 1.70 -2.85 -1.04 -3.98 119.74 111.32 1xn5 s LYS 85 Ca 0.26 0.49 -0.30 0.00 -1.00 0.00 0.00 55.97 55.42 1xn5 s LYS 85 Cb -0.10 0.29 -0.12 0.00 -2.06 0.00 0.00 37.83 35.84 1xn5 s LYS 85 CO 0.18 -0.19 1.62 -2.00 0.10 0.00 0.00 175.35 175.06 1xn5 s GLU 86 N 2.71 4.11 0.25 1.78 -6.30 -1.26 -1.53 118.70 118.46 1xn5 s GLU 86 Ca 0.00 2.60 0.03 0.00 -2.50 0.00 0.00 54.97 55.10 1xn5 s GLU 86 Cb -0.08 -3.02 0.03 0.00 0.00 0.00 0.00 34.13 31.05 1xn5 s GLU 86 CO -0.14 -0.66 0.24 -1.91 0.02 0.00 0.00 175.26 172.80 1xn5 n GLU 87 N 2.42 1.03 0.00 4.30 0.00 0.25 -4.87 120.64 123.76 1xn5 n GLU 87 Ca 0.09 -1.48 0.00 0.00 0.00 0.00 0.00 57.16 55.77 1xn5 n GLU 87 Cb 0.37 0.07 0.00 0.00 0.00 0.00 0.00 31.44 31.88 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 -1.24 0.00 -3.05 5.31 -0.58 -1.26 -3.59 120.64 116.24 1xn5 n GLU 88 Ca 0.02 0.77 -0.23 0.00 -0.42 0.00 0.00 57.16 57.29 1xn5 n GLU 88 Cb 0.27 -1.28 -0.04 0.00 -0.57 0.00 0.00 31.44 29.83 1xn5 n GLU 88 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xn5 n ASN 89 N -2.10 2.98 0.00 1.62 4.13 -1.26 -5.06 115.26 115.57 1xn5 n ASN 89 Ca 0.00 -3.41 0.00 0.00 1.68 0.00 0.00 54.58 52.85 1xn5 n ASN 89 Cb 0.00 -0.59 0.00 0.00 -1.54 0.00 0.00 39.78 37.65 1xn5 n ASN 89 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xn5 n GLY 90 N -0.02 -1.95 3.42 7.41 0.00 -1.24 -4.78 105.19 108.03 1xn5 n GLY 90 Ca 0.29 -1.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.07 2.62 -0.12 2.61 2.01 -0.99 0.87 115.64 120.58 1xn5 s THR 91 Ca 0.00 -1.19 -0.05 0.00 0.31 0.00 0.00 61.69 60.76 1xn5 s THR 91 Cb 0.00 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 1xn5 s THR 91 CO 0.00 0.38 0.05 -0.63 -0.69 0.00 0.00 174.62 173.73 1xn5 s ILE 92 N -0.86 4.73 -0.09 1.82 -1.09 -0.58 -3.10 121.20 122.02 1xn5 s ILE 92 Ca 0.13 -0.08 -0.00 0.00 -2.23 0.00 0.00 60.65 58.47 1xn5 s ILE 92 Cb -0.10 -3.04 0.02 0.00 -1.58 0.00 0.00 42.46 37.76 1xn5 s ILE 92 CO 0.04 0.57 -0.06 0.12 -1.23 0.00 0.00 174.94 174.38 1xn5 s PHE 93 N -0.59 1.16 -0.11 3.97 2.19 -0.79 -2.48 117.98 121.32 1xn5 s PHE 93 Ca 0.11 -0.49 0.03 0.00 0.33 0.00 0.00 56.93 56.91 1xn5 s PHE 93 Cb -0.12 -1.02 0.01 0.00 -1.31 0.00 0.00 43.02 40.58 1xn5 s PHE 93 CO 0.02 -0.39 -0.20 0.99 1.83 0.00 0.00 175.22 177.47 1xn5 s THR 94 N 1.56 1.81 0.03 0.12 2.01 0.14 -0.64 115.64 120.67 1xn5 s THR 94 Ca 0.01 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.18 1xn5 s THR 94 Cb -0.13 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 1xn5 s THR 94 CO -0.05 0.50 -0.01 -0.51 -0.69 0.00 0.00 174.62 173.86 1xn5 s ILE 95 N 0.67 4.03 -0.03 1.82 -1.16 0.64 -0.42 121.20 126.74 1xn5 s ILE 95 Ca -0.12 -0.75 -0.00 0.00 -0.51 0.00 0.00 60.65 59.27 1xn5 s ILE 95 Cb -0.16 -2.83 0.03 0.00 0.61 0.00 0.00 42.46 40.11 1xn5 s ILE 95 CO 0.03 0.30 0.02 -0.69 -2.81 0.00 0.00 174.94 171.79 1xn5 s VAL 96 N -1.14 0.06 -0.05 4.00 1.01 -0.64 -0.85 120.40 122.79 1xn5 s VAL 96 Ca 0.21 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.38 1xn5 s VAL 96 Cb -0.11 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.09 1xn5 s VAL 96 CO 0.12 0.13 -0.08 -2.28 0.00 0.00 0.00 175.10 172.99 1xn5 s HIS 97 N 1.18 1.05 0.25 5.22 5.04 -1.22 -1.63 115.29 125.17 1xn5 s HIS 97 Ca -0.08 -0.35 0.01 0.00 -1.54 0.00 0.00 55.06 53.11 1xn5 s HIS 97 Cb -0.13 -0.83 -0.04 0.00 0.04 0.00 0.00 32.58 31.61 1xn5 s HIS 97 CO -0.02 -0.22 0.14 -1.12 -2.34 0.00 0.00 174.74 171.18 1xn5 s SER 98 N 0.78 0.86 0.00 9.88 0.01 -1.18 -1.57 113.70 122.48 1xn5 s SER 98 Ca -0.13 -1.46 0.00 0.00 1.31 0.00 0.00 55.95 55.67 1xn5 s SER 98 Cb -0.15 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.42 1xn5 s SER 98 CO 0.02 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.43 1xn5 n GLY 99 N -0.42 0.81 3.38 3.44 0.00 -1.26 -3.76 105.19 107.38 1xn5 n GLY 99 Ca 0.02 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.66 1.68 0.00 1.61 0.52 -1.26 -4.83 118.94 115.00 1xn5 s TRP 100 Ca 0.00 -1.38 0.00 0.00 0.02 0.00 0.00 56.10 54.74 1xn5 s TRP 100 Cb 0.00 -0.93 0.00 0.00 -1.15 0.00 0.00 33.47 31.39 1xn5 s TRP 100 CO 0.00 -0.50 0.00 1.63 0.02 0.00 0.00 176.95 178.10 1xn5 n LYS 101 N -0.68 2.19 -0.57 4.98 5.02 -1.26 -4.98 118.16 122.86 1xn5 n LYS 101 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 1xn5 n LYS 101 Cb 0.65 0.00 0.22 0.00 -0.02 0.00 0.00 35.03 35.87 1xn5 n LYS 101 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1xn5 n GLN 102 N 0.00 -2.14 0.01 1.97 6.02 -1.26 -3.54 117.38 118.44 1xn5 n GLN 102 Ca 0.00 -0.60 -0.18 0.00 -0.01 0.00 0.00 57.00 56.21 1xn5 n GLN 102 Cb 0.00 -1.89 -0.12 0.00 1.02 0.00 0.00 30.24 29.25 1xn5 n GLN 102 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1xn5 h GLY 103 N -2.41 0.35 0.62 1.08 0.00 -1.95 -3.34 103.07 97.43 1xn5 h GLY 103 Ca -0.58 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.04 1xn5 h GLY 103 CO 0.43 0.63 -0.32 -1.80 0.00 0.00 0.00 176.54 175.48 1xn5 h ASP 104 N -0.31 -0.88 -1.42 0.19 1.82 -1.97 -3.12 116.42 110.74 1xn5 h ASP 104 Ca -0.09 0.08 -0.61 0.00 -0.39 0.00 0.00 57.03 56.03 1xn5 h ASP 104 Cb 1.37 0.30 0.14 0.00 0.68 0.00 0.00 39.33 41.82 1xn5 h ASP 104 CO 0.11 -0.45 -0.79 0.35 -1.61 0.00 0.00 179.24 176.85 1xn5 n THR 105 N -5.44 0.98 -4.05 2.25 -2.24 -1.25 -4.53 114.28 100.00 1xn5 n THR 105 Ca -0.09 -0.48 -0.23 0.00 -2.27 0.00 0.00 64.05 60.98 1xn5 n THR 105 Cb 0.34 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 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 -0.95 3.10 -0.44 -0.78 2.20 -1.26 -1.40 119.74 120.20 1xn5 s LYS 106 Ca 0.58 -0.89 -0.17 0.00 -0.36 0.00 0.00 55.97 55.12 1xn5 s LYS 106 Cb -0.69 -2.70 0.03 0.00 -1.51 0.00 0.00 37.83 32.96 1xn5 s LYS 106 CO 0.58 0.44 0.46 0.08 -0.36 0.00 0.00 175.35 176.55 1xn5 s VAL 107 N -1.96 5.08 -0.93 4.02 1.01 -1.22 -4.78 120.40 121.62 1xn5 s VAL 107 Ca 0.33 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.77 1xn5 s VAL 107 Cb -0.09 -4.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 1xn5 s VAL 107 CO 0.26 -0.50 2.17 1.21 0.00 0.00 0.00 175.10 178.24 1xn5 n GLU 108 N 5.62 2.17 0.19 2.72 2.13 -1.26 -2.83 120.64 129.37 1xn5 n GLU 108 Ca -0.08 -1.48 0.00 0.00 0.66 0.00 0.00 57.16 56.26 1xn5 n GLU 108 Cb 0.47 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.72 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 4.11 0.00 0.16 5.31 4.81 -1.26 -4.99 118.16 126.30 1xn5 n LYS 109 Ca 0.46 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.81 1xn5 n LYS 109 Cb 0.15 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.15 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 -1.98 -3.48 119.26 116.46 1xn5 h ALA 110 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xn5 h ALA 110 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xn5 h ALA 110 CO 0.00 -0.47 0.00 0.41 0.00 0.00 0.00 179.25 179.19 1xn5 n GLY 111 N 0.39 4.04 3.85 0.00 0.00 -1.13 -5.11 105.19 107.24 1xn5 n GLY 111 Ca -0.07 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 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 3.10 1.03 4.61 0.00 -1.26 -4.74 121.76 124.50 1xn5 s ALA 112 Ca 0.00 0.08 -0.15 0.00 0.00 0.00 0.00 51.96 51.89 1xn5 s ALA 112 Cb 0.00 -3.08 0.09 0.00 0.00 0.00 0.00 23.12 20.13 1xn5 s ALA 112 CO 0.00 -0.34 0.34 0.39 0.00 0.00 0.00 175.76 176.14 1xn5 n GLU 113 N -1.88 -1.00 0.28 0.00 1.02 -1.26 -3.41 120.64 114.40 1xn5 n GLU 113 Ca 0.06 -0.26 0.17 0.00 -0.02 0.00 0.00 57.16 57.11 1xn5 n GLU 113 Cb 0.54 -1.85 0.82 0.00 -0.02 0.00 0.00 31.44 30.93 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 -1.87 0.00 0.02 1.62 0.87 -1.25 -0.58 113.55 112.35 1xn5 h SER 114 Ca -0.49 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1xn5 h SER 114 Cb 1.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1xn5 h SER 114 CO 0.37 0.06 -0.01 0.00 -0.53 0.00 0.00 176.83 176.72 1xn5 h ALA 115 N 1.94 -0.03 -0.48 6.23 0.00 -1.78 -0.73 119.26 124.41 1xn5 h ALA 115 Ca -0.00 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.57 1xn5 h ALA 115 Cb 0.35 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1xn5 h ALA 115 CO 0.01 -0.08 0.27 0.28 0.00 0.00 0.00 179.25 179.72 1xn5 h VAL 116 N -0.90 1.01 -0.15 0.00 2.07 -1.82 -0.99 116.25 115.48 1xn5 h VAL 116 Ca -0.00 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1xn5 h VAL 116 Cb 0.74 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1xn5 h VAL 116 CO 0.01 0.10 0.07 0.58 0.02 0.00 0.00 177.57 178.34 1xn5 h VAL 117 N 0.53 1.13 -0.37 2.57 2.07 -1.21 -0.17 116.25 120.79 1xn5 h VAL 117 Ca 0.20 -0.37 0.07 0.00 0.82 0.00 0.00 66.70 67.42 1xn5 h VAL 117 Cb 0.07 1.11 -0.09 0.00 -1.52 0.00 0.00 31.29 30.86 1xn5 h VAL 117 CO -0.12 0.12 -0.42 -0.74 0.02 0.00 0.00 177.57 176.43 1xn5 h HIS 118 N 0.11 -1.23 -0.37 1.57 6.17 -0.53 1.48 115.15 122.34 1xn5 h HIS 118 Ca 0.05 0.07 0.04 0.00 0.71 0.00 0.00 60.37 61.23 1xn5 h HIS 118 Cb 0.13 0.59 -0.04 0.00 2.52 0.00 0.00 27.41 30.61 1xn5 h HIS 118 CO -0.03 -0.44 0.15 0.93 0.71 0.00 0.00 177.93 179.25 1xn5 h GLU 119 N -0.35 0.31 0.52 5.26 5.08 -1.04 1.41 114.58 125.77 1xn5 h GLU 119 Ca 0.13 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1xn5 h GLU 119 Cb 0.59 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1xn5 h GLU 119 CO -0.55 0.20 -0.27 0.00 -1.00 0.00 0.00 179.01 177.39 1xn5 h ARG 120 N 0.32 -0.70 -0.13 2.33 3.08 0.72 0.35 114.38 120.34 1xn5 h ARG 120 Ca 0.17 0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.30 1xn5 h ARG 120 Cb 0.12 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1xn5 h ARG 120 CO -0.15 -0.47 -0.09 0.52 -1.07 0.00 0.00 179.97 178.71 1xn5 h MET 121 N -0.73 -0.09 -0.57 0.04 2.86 0.21 0.38 114.93 117.03 1xn5 h MET 121 Ca -0.07 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.68 1xn5 h MET 121 Cb 0.57 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.16 1xn5 h MET 121 CO 0.10 -0.06 0.08 0.22 1.06 0.00 0.00 176.91 178.31 1xn5 h ASP 122 N -0.09 -0.08 -0.23 1.22 3.58 0.19 1.46 116.42 122.48 1xn5 h ASP 122 Ca 0.08 0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 1xn5 h ASP 122 Cb 0.21 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 1xn5 h ASP 122 CO -0.19 -0.02 0.09 0.03 -2.88 0.00 0.00 179.24 176.27 1xn5 h ARG 123 N 0.21 0.33 -0.67 0.28 2.47 0.47 -1.33 114.38 116.15 1xn5 h ARG 123 Ca 0.29 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.93 1xn5 h ARG 123 Cb 0.44 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.67 1xn5 h ARG 123 CO -0.41 0.38 0.31 0.78 0.56 0.00 0.00 179.97 181.59 1xn5 h GLY 124 N 0.21 1.04 0.62 0.04 0.00 0.11 0.25 103.07 105.35 1xn5 h GLY 124 Ca 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1xn5 h GLY 124 CO -0.01 0.50 -0.32 1.49 0.00 0.00 0.00 176.54 178.20 1xn5 h TRP 125 N 0.93 -0.87 0.14 5.60 4.06 0.22 1.41 115.95 127.43 1xn5 h TRP 125 Ca 0.23 0.01 0.01 0.00 2.06 0.00 0.00 58.89 61.20 1xn5 h TRP 125 Cb 0.14 0.34 -0.02 0.00 -1.00 0.00 0.00 29.16 28.62 1xn5 h TRP 125 CO 0.01 -0.46 -0.20 1.25 -3.56 0.00 0.00 178.44 175.48 1xn5 h HIS 126 N -0.66 -0.53 -0.70 0.49 2.76 -1.03 0.58 115.15 116.06 1xn5 h HIS 126 Ca -0.01 0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.28 1xn5 h HIS 126 Cb 0.61 0.22 -0.08 0.00 1.55 0.00 0.00 27.41 29.71 1xn5 h HIS 126 CO -0.21 -0.30 0.31 -0.44 -1.30 0.00 0.00 177.93 175.99 1xn5 h ASP 127 N -0.40 0.34 0.03 3.26 5.19 -0.15 0.62 116.42 125.31 1xn5 h ASP 127 Ca 0.02 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1xn5 h ASP 127 Cb 0.40 0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.95 1xn5 h ASP 127 CO -0.09 0.18 -0.01 0.25 -3.12 0.00 0.00 179.24 176.44 1xn5 h LEU 128 N 0.50 -0.03 -3.38 1.55 5.85 0.27 -1.99 115.31 118.09 1xn5 h LEU 128 Ca 0.36 -0.08 -0.35 0.00 0.84 0.00 0.00 57.88 58.66 1xn5 h LEU 128 Cb 0.46 0.01 -0.17 0.00 0.37 0.00 0.00 40.66 41.33 1xn5 h LEU 128 CO -0.33 0.06 0.45 0.55 -0.34 0.00 0.00 178.44 178.83 1xn5 n VAL 129 N -5.07 2.64 0.03 1.05 3.14 0.19 -1.20 118.33 119.11 1xn5 n VAL 129 Ca -0.07 -1.53 0.00 0.00 -2.96 0.00 0.00 64.34 59.77 1xn5 n VAL 129 Cb 0.08 -1.03 0.00 0.00 -1.06 0.00 0.00 33.84 31.83 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 -0.15 0.48 -0.04 6.55 5.03 0.21 -4.64 115.26 122.70 1xn5 n ASN 130 Ca 0.35 0.09 -0.06 0.00 0.87 0.00 0.00 54.58 55.83 1xn5 n ASN 130 Cb 0.86 -0.13 -0.02 0.00 -1.02 0.00 0.00 39.78 39.47 1xn5 n ASN 130 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1xn5 n GLU 131 N -2.99 0.34 -0.32 3.52 -0.58 -0.95 -4.00 120.64 115.66 1xn5 n GLU 131 Ca 0.00 0.14 -0.08 0.00 -0.42 0.00 0.00 57.16 56.79 1xn5 n GLU 131 Cb 0.00 -1.09 -0.08 0.00 -0.57 0.00 0.00 31.44 29.70 1xn5 n GLU 131 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1xn5 n ARG 132 N -4.10 -0.34 -0.03 3.49 5.12 -1.23 0.17 116.66 119.74 1xn5 n ARG 132 Ca -0.10 1.22 -0.10 0.00 -1.93 0.00 0.00 57.85 56.94 1xn5 n ARG 132 Cb 0.35 -1.80 -0.04 0.00 -1.16 0.00 0.00 32.46 29.81 1xn5 n ARG 132 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1xn5 h LEU 133 N 0.00 0.17 -1.73 0.55 5.85 -1.44 -1.17 115.31 117.54 1xn5 h LEU 133 Ca 0.12 -0.00 0.21 0.00 0.84 0.00 0.00 57.88 59.05 1xn5 h LEU 133 Cb 0.31 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1xn5 h LEU 133 CO -0.72 0.13 0.57 -0.09 -0.34 0.00 0.00 178.44 177.98 1xn5 h ARG 134 N 0.22 0.22 0.00 1.25 2.43 0.15 0.78 114.38 119.43 1xn5 h ARG 134 Ca 0.07 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 1xn5 h ARG 134 Cb -0.01 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1xn5 h ARG 134 CO -0.03 0.15 -0.47 0.37 -1.51 0.00 0.00 179.97 178.48 1xn5 h GLN 135 N 0.23 0.00 0.00 0.20 4.15 0.29 0.54 115.11 120.52 1xn5 h GLN 135 Ca 0.41 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.83 1xn5 h GLN 135 Cb 1.26 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.95 1xn5 h GLN 135 CO -0.10 0.47 -0.01 0.82 -1.93 0.00 0.00 178.83 178.08 1xn5 h ILE 136 N 0.00 0.53 0.00 2.39 1.08 0.11 -2.16 117.51 119.46 1xn5 h ILE 136 Ca -0.00 -0.04 -0.09 0.00 -0.39 0.00 0.00 64.86 64.33 1xn5 h ILE 136 Cb 0.95 1.03 -0.02 0.00 -3.07 0.00 0.00 36.82 35.71 1xn5 h ILE 136 CO 0.06 0.01 -1.61 1.33 -0.69 0.00 0.00 178.15 177.25 1xn5 n VAL 137 N -3.83 0.35 0.98 1.67 0.24 -0.97 -5.02 118.33 111.75 1xn5 n VAL 137 Ca -0.03 -0.35 0.12 0.00 -2.04 0.00 0.00 64.34 62.04 1xn5 n VAL 137 Cb 0.09 -0.23 0.10 0.00 -1.47 0.00 0.00 33.84 32.34 1xn5 n VAL 137 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07