#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn5 s THR 2 N 0.00 -0.93 -0.02 3.17 -1.32 -1.26 -5.16 115.64 110.13 1xn5 s THR 2 Ca 0.00 0.02 -0.09 0.00 -1.21 0.00 0.00 61.69 60.41 1xn5 s THR 2 Cb 0.00 -0.94 0.03 0.00 -1.51 0.00 0.00 72.50 70.08 1xn5 s THR 2 CO 0.00 0.00 0.40 -2.11 -2.21 0.00 0.00 174.62 170.70 1xn5 n ARG 3 N 5.43 0.03 -3.72 7.08 0.00 -1.26 -4.84 116.66 119.38 1xn5 n ARG 3 Ca -0.09 -0.19 -0.37 0.00 -0.00 0.00 0.00 57.85 57.20 1xn5 n ARG 3 Cb 0.50 0.34 -0.12 0.00 -0.00 0.00 0.00 32.46 33.18 1xn5 n ARG 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1xn5 s LEU 4 N 0.00 3.81 0.00 2.89 1.43 -1.26 -4.66 118.68 120.89 1xn5 s LEU 4 Ca 0.09 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1xn5 s LEU 4 Cb -0.00 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.28 1xn5 s LEU 4 CO -0.00 -0.14 0.00 -0.81 0.23 0.00 0.00 176.35 175.62 1xn5 n PRO 5 N 4.93 0.05 -3.43 1.29 -0.04 -1.26 -4.87 135.00 131.66 1xn5 n PRO 5 Ca -0.15 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.93 1xn5 n PRO 5 Cb 0.49 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.89 1xn5 n PRO 5 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1xn5 s ASP 6 N -1.25 6.88 -1.41 3.54 -4.77 -1.26 -4.95 116.67 113.44 1xn5 s ASP 6 Ca 0.00 1.05 -0.10 0.00 -3.30 0.00 0.00 52.55 50.20 1xn5 s ASP 6 Cb 0.00 -2.28 0.07 0.00 -1.09 0.00 0.00 42.92 39.61 1xn5 s ASP 6 CO 0.00 0.30 2.31 -0.38 0.70 0.00 0.00 175.17 178.10 1xn5 n ILE 7 N 1.86 4.27 -3.45 2.11 5.41 -0.95 -4.93 119.36 123.68 1xn5 n ILE 7 Ca -0.13 -3.61 -0.37 0.00 1.00 0.00 0.00 62.75 59.64 1xn5 n ILE 7 Cb 0.52 -2.43 -0.06 0.00 -0.71 0.00 0.00 39.64 36.96 1xn5 n ILE 7 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1xn5 s LYS 8 N 1.25 4.19 0.22 0.38 2.20 -1.26 -3.38 119.74 123.34 1xn5 s LYS 8 Ca 0.51 0.30 0.01 0.00 -0.36 0.00 0.00 55.97 56.43 1xn5 s LYS 8 Cb 0.14 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 33.04 1xn5 s LYS 8 CO -0.06 0.32 0.08 0.15 -0.36 0.00 0.00 175.35 175.49 1xn5 s LYS 9 N 0.14 1.27 -0.18 4.03 -0.14 -0.53 -5.01 119.74 119.32 1xn5 s LYS 9 Ca 0.22 -1.66 -0.12 0.00 -1.36 0.00 0.00 55.97 53.04 1xn5 s LYS 9 Cb -0.15 -0.09 0.06 0.00 -1.68 0.00 0.00 37.83 35.97 1xn5 s LYS 9 CO 0.09 -0.29 0.45 -2.00 -0.76 0.00 0.00 175.35 172.84 1xn5 s GLU 10 N -4.05 0.47 0.10 1.68 -6.30 -1.26 -1.32 118.70 108.03 1xn5 s GLU 10 Ca 0.35 0.77 0.01 0.00 -2.50 0.00 0.00 54.97 53.60 1xn5 s GLU 10 Cb 0.07 0.10 -0.04 0.00 0.00 0.00 0.00 34.13 34.26 1xn5 s GLU 10 CO 0.11 -0.12 -0.06 0.14 0.02 0.00 0.00 175.26 175.34 1xn5 s VAL 11 N 1.00 0.65 -0.07 3.70 -7.23 -0.21 -5.02 120.40 113.21 1xn5 s VAL 11 Ca -0.06 -1.93 0.03 0.00 -1.81 0.00 0.00 61.98 58.21 1xn5 s VAL 11 Cb -0.06 -1.68 0.01 0.00 0.56 0.00 0.00 36.38 35.20 1xn5 s VAL 11 CO -0.09 -0.87 -0.15 -0.60 -0.31 0.00 0.00 175.10 173.08 1xn5 s ARG 12 N -3.84 2.02 0.10 4.82 3.52 -1.26 -1.87 118.95 122.43 1xn5 s ARG 12 Ca 0.12 -0.52 0.07 0.00 -0.13 0.00 0.00 55.73 55.27 1xn5 s ARG 12 Cb 0.06 -1.62 -0.03 0.00 -1.56 0.00 0.00 34.95 31.79 1xn5 s ARG 12 CO -0.05 0.06 -0.18 -0.06 -0.81 0.00 0.00 175.30 174.26 1xn5 s PHE 13 N 0.59 1.60 -0.61 5.12 0.08 -1.17 -5.05 117.98 118.54 1xn5 s PHE 13 Ca -0.16 -0.44 -0.21 0.00 0.12 0.00 0.00 56.93 56.25 1xn5 s PHE 13 Cb -0.16 -0.88 0.08 0.00 -0.57 0.00 0.00 43.02 41.49 1xn5 s PHE 13 CO 0.05 0.16 0.83 1.21 -0.10 0.00 0.00 175.22 177.37 1xn5 s ASN 14 N -1.92 6.19 -0.15 1.36 3.84 -1.26 -2.47 114.94 120.54 1xn5 s ASN 14 Ca 0.04 -1.11 -0.34 0.00 0.21 0.00 0.00 52.86 51.66 1xn5 s ASN 14 Cb -0.10 -2.36 0.15 0.00 -0.55 0.00 0.00 41.25 38.39 1xn5 s ASN 14 CO 0.04 -1.25 1.38 0.00 -2.79 0.00 0.00 177.10 174.48 1xn5 s ALA 15 N 3.39 -2.34 0.16 1.71 0.00 -1.26 -4.88 121.76 118.55 1xn5 s ALA 15 Ca 0.18 1.26 -0.30 0.00 0.00 0.00 0.00 51.96 53.10 1xn5 s ALA 15 Cb -0.20 0.03 -0.07 0.00 0.00 0.00 0.00 23.12 22.88 1xn5 s ALA 15 CO 0.09 -0.87 1.13 -1.25 0.00 0.00 0.00 175.76 174.86 1xn5 s PRO 16 N -2.12 4.55 0.52 0.00 0.04 -1.26 -3.57 135.00 133.16 1xn5 s PRO 16 Ca 0.13 1.74 0.17 0.00 0.04 0.00 0.00 61.00 63.09 1xn5 s PRO 16 Cb 0.04 -3.29 1.29 0.00 0.04 0.00 0.00 34.50 32.59 1xn5 s PRO 16 CO -0.05 0.00 2.14 0.97 0.04 0.00 0.00 177.00 180.11 1xn5 h ILE 17 N 3.86 0.97 0.00 0.56 2.10 -1.98 0.53 117.51 123.55 1xn5 h ILE 17 Ca -0.44 -0.07 -0.01 0.00 1.08 0.00 0.00 64.86 65.43 1xn5 h ILE 17 Cb 1.21 1.04 -0.00 0.00 -1.09 0.00 0.00 36.82 37.98 1xn5 h ILE 17 CO 0.74 0.02 -0.03 -0.08 -1.08 0.00 0.00 178.15 177.72 1xn5 h GLU 18 N 0.00 0.00 0.00 2.19 4.22 -1.98 1.13 114.58 120.14 1xn5 h GLU 18 Ca -0.00 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.37 1xn5 h GLU 18 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1xn5 h GLU 18 CO 0.00 0.03 -0.55 -0.22 -2.18 0.00 0.00 179.01 176.10 1xn5 h LYS 19 N 0.00 0.00 -0.62 1.92 3.64 -1.33 -3.03 116.57 117.15 1xn5 h LYS 19 Ca -0.00 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1xn5 h LYS 19 Cb 0.05 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 1xn5 h LYS 19 CO 0.00 0.47 0.41 0.28 -2.27 0.00 0.00 179.45 178.34 1xn5 h VAL 20 N -1.00 0.88 0.21 2.00 2.07 -1.12 0.60 116.25 119.89 1xn5 h VAL 20 Ca -0.10 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1xn5 h VAL 20 Cb 0.73 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1xn5 h VAL 20 CO -0.06 0.07 -0.10 -0.25 0.02 0.00 0.00 177.57 177.25 1xn5 h TRP 21 N 0.40 -0.26 -0.79 1.57 -0.00 0.12 -2.38 115.95 114.61 1xn5 h TRP 21 Ca 0.29 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 59.15 1xn5 h TRP 21 Cb 0.58 0.09 -0.04 0.00 -0.00 0.00 0.00 29.16 29.79 1xn5 h TRP 21 CO -0.00 -0.00 0.43 0.93 -0.00 0.00 0.00 178.44 179.79 1xn5 h GLU 22 N -0.49 1.11 0.00 2.65 5.08 -1.01 0.92 114.58 122.84 1xn5 h GLU 22 Ca -0.03 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1xn5 h GLU 22 Cb 0.37 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1xn5 h GLU 22 CO 0.05 0.81 0.00 0.00 -1.00 0.00 0.00 179.01 178.87 1xn5 h ALA 23 N 1.36 1.00 -0.07 3.43 0.00 0.36 0.52 119.26 125.87 1xn5 h ALA 23 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1xn5 h ALA 23 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xn5 h ALA 23 CO -0.04 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.54 1xn5 n VAL 24 N -2.44 1.16 -0.06 0.00 0.24 0.13 -2.31 118.33 115.06 1xn5 n VAL 24 Ca -0.02 -1.20 -0.07 0.00 -2.04 0.00 0.00 64.34 61.02 1xn5 n VAL 24 Cb 0.05 0.38 -0.06 0.00 -1.47 0.00 0.00 33.84 32.74 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 -0.44 3.00 -3.81 -1.34 3.41 0.16 -4.88 113.62 109.71 1xn5 n SER 25 Ca 0.05 -0.05 -0.19 0.00 -0.26 0.00 0.00 58.87 58.42 1xn5 n SER 25 Cb 0.35 0.04 0.11 0.00 -0.26 0.00 0.00 64.21 64.46 1xn5 n SER 25 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xn5 n THR 26 N -2.72 0.00 -0.12 6.66 -2.24 0.23 -1.16 114.28 114.94 1xn5 n THR 26 Ca -0.19 -1.07 -0.25 0.00 -2.27 0.00 0.00 64.05 60.27 1xn5 n THR 26 Cb 0.74 -1.20 -0.11 0.00 -2.10 0.00 0.00 70.33 67.66 1xn5 n THR 26 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xn5 n SER 27 N -3.15 1.96 -0.36 3.42 7.64 -1.21 -3.51 113.62 118.41 1xn5 n SER 27 Ca 0.13 0.22 -0.01 0.00 1.01 0.00 0.00 58.87 60.22 1xn5 n SER 27 Cb 0.45 -0.75 0.12 0.00 -1.01 0.00 0.00 64.21 63.03 1xn5 n SER 27 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1xn5 h GLU 28 N -0.63 1.24 -0.10 1.43 4.39 -1.90 1.13 114.58 120.14 1xn5 h GLU 28 Ca -0.58 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 58.91 1xn5 h GLU 28 Cb 1.68 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 30.04 1xn5 h GLU 28 CO -0.25 0.82 -0.52 0.78 -1.16 0.00 0.00 179.01 178.68 1xn5 h GLY 29 N 1.28 0.29 0.14 -3.84 0.00 -1.80 -1.55 103.07 97.60 1xn5 h GLY 29 Ca 0.37 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 1xn5 h GLY 29 CO -0.10 0.29 -0.04 1.41 0.00 0.00 0.00 176.54 178.10 1xn5 h LEU 30 N 0.21 -0.10 -2.09 3.11 3.38 -0.87 -3.19 115.31 115.76 1xn5 h LEU 30 Ca 0.01 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1xn5 h LEU 30 Cb 0.99 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1xn5 h LEU 30 CO 0.08 0.52 0.20 0.00 0.09 0.00 0.00 178.44 179.34 1xn5 h ALA 31 N -0.61 1.19 0.00 1.53 0.00 0.15 1.66 119.26 123.17 1xn5 h ALA 31 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1xn5 h ALA 31 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xn5 h ALA 31 CO 0.02 -0.19 -0.04 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 -1.26 -3.34 116.94 115.39 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 0.04 -0.33 -2.67 -2.02 0.00 0.00 178.31 173.32 1xn5 n TRP 33 N -3.68 0.00 0.00 0.41 4.27 0.91 -4.96 117.44 114.39 1xn5 n TRP 33 Ca -0.03 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.58 1xn5 n TRP 33 Cb 0.13 0.31 0.00 0.00 -1.36 0.00 0.00 31.31 30.39 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 -2.60 0.00 -3.61 -2.67 7.35 0.53 -4.99 117.46 111.47 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 0.17 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.98 1xn5 n PHE 34 CO 0.00 0.00 0.00 -1.64 -0.76 0.00 0.00 176.76 174.36 1xn5 s MET 35 N 0.00 0.56 0.24 -4.13 -1.94 -1.22 -4.87 119.30 107.94 1xn5 s MET 35 Ca 0.00 -0.26 -0.31 0.00 -1.71 0.00 0.00 55.69 53.40 1xn5 s MET 35 Cb 0.00 0.22 -0.12 0.00 2.01 0.00 0.00 34.83 36.94 1xn5 s MET 35 CO 0.00 -0.25 1.63 0.39 -0.01 0.00 0.00 175.02 176.78 1xn5 n GLU 36 N -0.29 2.62 -2.98 2.03 1.02 -1.26 -2.79 120.64 118.98 1xn5 n GLU 36 Ca -0.05 0.94 -0.07 0.00 -0.02 0.00 0.00 57.16 57.96 1xn5 n GLU 36 Cb 0.61 -2.73 0.01 0.00 -0.02 0.00 0.00 31.44 29.31 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 3.02 -1.52 -1.53 1.62 0.23 -1.26 -2.20 115.26 113.61 1xn5 n ASN 37 Ca 0.13 -2.14 -0.02 0.00 -0.53 0.00 0.00 54.58 52.01 1xn5 n ASN 37 Cb 0.35 2.56 0.09 0.00 -2.08 0.00 0.00 39.78 40.70 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 -1.43 2.19 -4.79 0.53 8.00 -1.19 -4.80 116.55 115.06 1xn5 n ASP 38 Ca -0.05 -3.04 -0.34 0.00 0.71 0.00 0.00 54.79 52.07 1xn5 n ASP 38 Cb 0.41 -0.42 -0.01 0.00 -0.02 0.00 0.00 41.12 41.08 1xn5 n ASP 38 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xn5 s LEU 39 N -2.54 3.78 -0.06 0.64 0.20 -1.26 -4.74 118.68 114.71 1xn5 s LEU 39 Ca 0.38 2.04 0.22 0.00 0.69 0.00 0.00 54.13 57.46 1xn5 s LEU 39 Cb 0.38 -4.57 0.39 0.00 -0.43 0.00 0.00 46.19 41.96 1xn5 s LEU 39 CO -0.07 -1.01 1.15 1.17 -0.29 0.00 0.00 176.35 177.30 1xn5 n LYS 40 N -1.19 0.34 -3.76 1.98 4.81 -1.24 -3.29 118.16 115.81 1xn5 n LYS 40 Ca 0.10 -2.13 -0.28 0.00 -0.87 0.00 0.00 58.31 55.14 1xn5 n LYS 40 Cb 0.52 -0.21 0.01 0.00 0.02 0.00 0.00 35.03 35.37 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 0.19 -2.70 -3.71 3.14 0.00 -0.31 -4.93 120.51 112.20 1xn5 n ALA 41 Ca 0.02 -0.31 -0.12 0.00 0.00 0.00 0.00 53.44 53.02 1xn5 n ALA 41 Cb 1.03 -1.72 -0.12 0.00 0.00 0.00 0.00 19.45 18.63 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 -5.45 0.25 0.50 0.00 2.12 -1.26 -4.94 118.70 109.92 1xn5 s GLU 42 Ca 0.18 0.62 -0.21 0.00 0.36 0.00 0.00 54.97 55.92 1xn5 s GLU 42 Cb -0.09 -0.09 -0.07 0.00 0.26 0.00 0.00 34.13 34.15 1xn5 s GLU 42 CO 0.89 -0.17 1.11 -0.08 -0.54 0.00 0.00 175.26 176.47 1xn5 s THR 43 N 1.39 3.34 -1.71 -1.70 -1.32 -1.26 -2.86 115.64 111.53 1xn5 s THR 43 Ca -0.09 0.89 0.00 0.00 -1.21 0.00 0.00 61.69 61.28 1xn5 s THR 43 Cb -0.10 -3.39 0.00 0.00 -1.51 0.00 0.00 72.50 67.50 1xn5 s THR 43 CO -0.10 -0.13 0.00 0.61 -2.21 0.00 0.00 174.62 172.79 1xn5 n GLY 44 N 0.14 1.61 3.86 6.08 0.00 -0.96 -4.97 105.19 110.95 1xn5 n GLY 44 Ca 0.10 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.57 3.41 -0.31 1.61 5.04 -1.13 -4.94 115.29 116.39 1xn5 s HIS 45 Ca 0.00 1.17 0.01 0.00 -1.54 0.00 0.00 55.06 54.70 1xn5 s HIS 45 Cb 0.00 -2.52 0.07 0.00 0.04 0.00 0.00 32.58 30.18 1xn5 s HIS 45 CO 0.00 -0.02 0.01 -3.38 -2.34 0.00 0.00 174.74 169.01 1xn5 s HIS 46 N -2.18 3.44 0.01 3.88 -3.43 -1.26 -2.95 115.29 112.80 1xn5 s HIS 46 Ca 0.53 -2.38 0.03 0.00 -0.80 0.00 0.00 55.06 52.45 1xn5 s HIS 46 Cb -0.10 -2.43 -0.01 0.00 -1.43 0.00 0.00 32.58 28.61 1xn5 s HIS 46 CO 0.23 -0.89 -0.10 -0.59 -2.00 0.00 0.00 174.74 171.40 1xn5 s PHE 47 N 1.10 0.87 0.59 0.38 -0.71 -0.94 -5.04 117.98 114.24 1xn5 s PHE 47 Ca -0.00 -0.22 0.02 0.00 -1.04 0.00 0.00 56.93 55.69 1xn5 s PHE 47 Cb -0.20 -0.54 0.06 0.00 -1.21 0.00 0.00 43.02 41.13 1xn5 s PHE 47 CO -0.04 -0.01 0.82 -1.01 -1.34 0.00 0.00 175.22 173.63 1xn5 s HIS 48 N -0.43 2.38 -0.00 3.49 3.76 -1.26 -0.30 115.29 122.93 1xn5 s HIS 48 Ca 0.02 -0.18 0.03 0.00 -0.15 0.00 0.00 55.06 54.78 1xn5 s HIS 48 Cb -0.05 -2.74 -0.01 0.00 1.11 0.00 0.00 32.58 30.89 1xn5 s HIS 48 CO -0.00 -1.09 -0.10 -1.17 -0.85 0.00 0.00 174.74 171.53 1xn5 s LEU 49 N -4.82 2.04 -0.86 0.89 2.96 -0.19 -3.18 118.68 115.51 1xn5 s LEU 49 Ca 0.60 -0.21 -0.00 0.00 -0.22 0.00 0.00 54.13 54.30 1xn5 s LEU 49 Cb -0.09 -0.48 0.22 0.00 0.50 0.00 0.00 46.19 46.34 1xn5 s LEU 49 CO 0.40 0.09 0.77 0.00 -1.32 0.00 0.00 176.35 176.29 1xn5 n GLN 50 N 2.71 2.58 -2.54 1.98 1.13 -0.94 -2.45 117.38 119.85 1xn5 n GLN 50 Ca -0.14 -4.50 -0.23 0.00 -1.94 0.00 0.00 57.00 50.19 1xn5 n GLN 50 Cb 0.56 -2.39 0.07 0.00 0.11 0.00 0.00 30.24 28.60 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 -0.56 4.78 0.18 1.08 1.04 -1.24 -4.41 113.70 114.57 1xn5 s SER 51 Ca 0.28 -0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.66 1xn5 s SER 51 Cb -0.05 -0.54 0.05 0.00 0.10 0.00 0.00 66.02 65.58 1xn5 s SER 51 CO -0.12 -1.54 1.42 1.55 0.98 0.00 0.00 173.24 175.53 1xn5 h PRO 52 N -0.31 0.21 0.00 4.02 0.13 -2.01 -3.11 132.00 130.93 1xn5 h PRO 52 Ca -0.40 -0.21 -0.08 0.00 -0.87 0.00 0.00 66.00 64.44 1xn5 h PRO 52 Cb 1.29 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1xn5 h PRO 52 CO 0.48 0.91 -0.37 0.35 -0.23 0.00 0.00 178.00 179.14 1xn5 h PHE 53 N 0.13 0.00 0.00 1.56 3.04 -2.01 -3.48 116.94 116.18 1xn5 h PHE 53 Ca -0.03 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1xn5 h PHE 53 Cb 1.40 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.91 1xn5 h PHE 53 CO 0.03 0.37 0.00 0.41 -2.02 0.00 0.00 178.31 177.10 1xn5 n GLY 54 N -0.43 3.20 3.70 2.40 0.00 -1.18 -5.10 105.19 107.78 1xn5 n GLY 54 Ca -0.02 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.23 4.40 -0.00 1.61 0.04 -1.26 -3.59 135.00 133.96 1xn5 s PRO 55 Ca 0.00 1.71 0.03 0.00 0.04 0.00 0.00 61.00 62.78 1xn5 s PRO 55 Cb 0.00 -3.46 -0.01 0.00 0.04 0.00 0.00 34.50 31.07 1xn5 s PRO 55 CO 0.00 -0.34 -0.09 -1.12 0.04 0.00 0.00 177.00 175.49 1xn5 s SER 56 N 1.29 1.06 0.16 6.66 0.01 -1.03 -4.99 113.70 116.86 1xn5 s SER 56 Ca 0.57 -0.20 -0.30 0.00 1.31 0.00 0.00 55.95 57.33 1xn5 s SER 56 Cb -0.27 -0.10 -0.07 0.00 0.21 0.00 0.00 66.02 65.79 1xn5 s SER 56 CO 0.26 0.08 1.13 -2.16 0.41 0.00 0.00 173.24 172.96 1xn5 s PRO 57 N -0.35 4.55 0.21 12.44 0.04 -1.26 -1.02 135.00 149.61 1xn5 s PRO 57 Ca 0.02 1.74 0.10 0.00 0.04 0.00 0.00 61.00 62.91 1xn5 s PRO 57 Cb -0.04 -3.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 1xn5 s PRO 57 CO -0.00 0.00 -0.19 0.00 0.04 0.00 0.00 177.00 176.85 1xn5 s GLN 59 N -3.17 0.54 -0.03 0.00 0.74 -1.10 -2.20 119.66 114.43 1xn5 s GLN 59 Ca 0.22 0.42 -0.20 0.00 0.05 0.00 0.00 55.36 55.85 1xn5 s GLN 59 Cb -0.05 0.26 -0.05 0.00 1.10 0.00 0.00 33.01 34.27 1xn5 s GLN 59 CO 0.10 -0.09 0.57 0.08 -0.55 0.00 0.00 175.29 175.39 1xn5 s VAL 60 N -0.12 4.98 -0.20 1.34 1.01 -1.15 -0.60 120.40 125.65 1xn5 s VAL 60 Ca -0.03 1.18 0.14 0.00 0.00 0.00 0.00 61.98 63.27 1xn5 s VAL 60 Cb -0.03 -3.90 -0.22 0.00 0.00 0.00 0.00 36.38 32.22 1xn5 s VAL 60 CO 0.02 0.40 0.02 0.35 0.00 0.00 0.00 175.10 175.89 1xn5 n THR 61 N 2.91 1.33 -3.64 3.92 -2.24 -1.21 -2.25 114.28 113.09 1xn5 n THR 61 Ca -0.07 -0.77 -0.10 0.00 -2.27 0.00 0.00 64.05 60.84 1xn5 n THR 61 Cb 0.51 -0.64 -0.07 0.00 -2.10 0.00 0.00 70.33 68.03 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 -5.52 -0.82 -0.30 3.42 2.15 -1.25 -4.71 116.67 109.64 1xn5 s ASP 62 Ca -0.13 1.43 -0.01 0.00 0.43 0.00 0.00 52.55 54.27 1xn5 s ASP 62 Cb 0.06 1.38 0.19 0.00 -0.30 0.00 0.00 42.92 44.25 1xn5 s ASP 62 CO 0.75 -0.24 0.66 0.54 -0.17 0.00 0.00 175.17 176.71 1xn5 s VAL 63 N 1.02 -0.90 -0.28 1.11 0.11 -1.26 -0.94 120.40 119.26 1xn5 s VAL 63 Ca -0.05 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.00 1xn5 s VAL 63 Cb -0.05 -0.97 0.17 0.00 -1.53 0.00 0.00 36.38 33.99 1xn5 s VAL 63 CO -0.10 0.00 0.48 -0.70 -3.33 0.00 0.00 175.10 171.45 1xn5 s GLU 64 N 2.87 0.46 0.49 1.54 2.12 -1.19 -4.45 118.70 120.53 1xn5 s GLU 64 Ca 0.16 0.54 0.00 0.00 0.36 0.00 0.00 54.97 56.03 1xn5 s GLU 64 Cb -0.13 -0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.21 1xn5 s GLU 64 CO -0.21 -0.82 0.00 0.54 -0.54 0.00 0.00 175.26 174.23 1xn5 n ARG 65 N 5.39 -2.89 -1.31 4.30 1.74 -1.26 -4.05 116.66 118.58 1xn5 n ARG 65 Ca -0.00 2.26 -0.39 0.00 -0.77 0.00 0.00 57.85 58.94 1xn5 n ARG 65 Cb 0.51 -3.48 -0.03 0.00 -1.02 0.00 0.00 32.46 28.44 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 2.29 0.00 5.56 -0.04 -1.26 -3.58 135.00 133.84 1xn5 n PRO 66 Ca -0.06 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.32 1xn5 n PRO 66 Cb 0.64 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 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 5.17 0.00 -3.57 0.52 -6.64 -1.26 -3.78 119.36 109.80 1xn5 n ILE 67 Ca 0.53 0.00 -0.17 0.00 -1.77 0.00 0.00 62.75 61.34 1xn5 n ILE 67 Cb 0.34 -0.45 -0.14 0.00 -1.44 0.00 0.00 39.64 37.95 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 -1.74 0.14 -0.04 6.28 2.20 -1.23 -3.85 119.74 121.49 1xn5 s LYS 68 Ca 0.00 0.40 0.01 0.00 -0.36 0.00 0.00 55.97 56.02 1xn5 s LYS 68 Cb 0.00 -0.75 0.02 0.00 -1.51 0.00 0.00 37.83 35.59 1xn5 s LYS 68 CO 0.00 -0.49 -0.04 -1.17 -0.36 0.00 0.00 175.35 173.29 1xn5 s LEU 69 N 2.33 1.29 0.02 5.43 2.96 -0.85 -3.18 118.68 126.68 1xn5 s LEU 69 Ca 0.05 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1xn5 s LEU 69 Cb -0.14 -0.43 -0.02 0.00 0.50 0.00 0.00 46.19 46.10 1xn5 s LEU 69 CO -0.10 -0.06 -0.02 -0.55 -1.32 0.00 0.00 176.35 174.30 1xn5 s SER 70 N 0.96 0.21 -0.24 3.68 0.15 -0.11 0.15 113.70 118.49 1xn5 s SER 70 Ca -0.10 -0.44 -0.16 0.00 0.70 0.00 0.00 55.95 55.94 1xn5 s SER 70 Cb -0.14 0.10 0.07 0.00 -1.71 0.00 0.00 66.02 64.34 1xn5 s SER 70 CO -0.00 -0.28 0.60 0.72 1.20 0.00 0.00 173.24 175.48 1xn5 s PHE 71 N -1.35 -0.84 0.23 3.44 -0.71 -1.19 -3.31 117.98 114.24 1xn5 s PHE 71 Ca -0.15 1.79 -0.17 0.00 -1.04 0.00 0.00 56.93 57.36 1xn5 s PHE 71 Cb -0.09 0.42 -0.08 0.00 -1.21 0.00 0.00 43.02 42.06 1xn5 s PHE 71 CO -0.01 -0.42 0.68 0.95 -1.34 0.00 0.00 175.22 175.08 1xn5 s THR 72 N 1.15 4.67 -0.03 -4.49 -4.23 0.23 -3.91 115.64 109.03 1xn5 s THR 72 Ca -0.07 1.09 0.00 0.00 -1.18 0.00 0.00 61.69 61.53 1xn5 s THR 72 Cb -0.06 -3.77 0.03 0.00 1.34 0.00 0.00 72.50 70.04 1xn5 s THR 72 CO -0.12 0.12 -0.00 0.86 -0.54 0.00 0.00 174.62 174.94 1xn5 s TRP 73 N -1.62 0.40 0.34 3.99 -0.00 -1.25 -2.72 118.94 118.08 1xn5 s TRP 73 Ca 0.44 -0.03 0.00 0.00 -0.00 0.00 0.00 56.10 56.51 1xn5 s TRP 73 Cb -0.15 -0.48 0.00 0.00 -0.00 0.00 0.00 33.47 32.85 1xn5 s TRP 73 CO 0.20 -0.15 0.00 -3.47 -0.00 0.00 0.00 176.95 173.53 1xn5 n ASP 74 N 4.23 -6.44 -3.12 5.86 -0.08 -1.20 -4.56 116.55 111.24 1xn5 n ASP 74 Ca -0.24 0.71 -0.26 0.00 -1.51 0.00 0.00 54.79 53.50 1xn5 n ASP 74 Cb 0.50 -3.44 -0.05 0.00 2.34 0.00 0.00 41.12 40.48 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 -3.78 2.17 0.00 5.18 -2.24 -1.26 -4.74 114.28 109.62 1xn5 n THR 75 Ca -0.02 -5.24 0.00 0.00 -2.27 0.00 0.00 64.05 56.51 1xn5 n THR 75 Cb 0.50 -1.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 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 0.22 1.89 0.00 3.42 2.03 -1.26 -5.06 116.55 117.79 1xn5 n ASP 76 Ca 0.29 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.60 1xn5 n ASP 76 Cb 0.44 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 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 2.93 -0.08 2.63 0.27 0.00 -1.26 -5.15 105.19 104.53 1xn5 n GLY 77 Ca 0.00 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 1xn5 n GLY 77 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xn5 s TRP 78 N 0.00 0.12 -0.07 1.61 0.51 -1.26 -4.29 118.94 115.56 1xn5 s TRP 78 Ca 0.00 -0.25 0.03 0.00 -2.12 0.00 0.00 56.10 53.76 1xn5 s TRP 78 Cb 0.00 -0.65 0.00 0.00 -0.81 0.00 0.00 33.47 32.02 1xn5 s TRP 78 CO 0.00 -0.54 -0.18 -1.12 -0.51 0.00 0.00 176.95 174.60 1xn5 s SER 79 N 2.17 2.33 -0.04 2.95 0.01 -1.12 -3.87 113.70 116.13 1xn5 s SER 79 Ca 0.03 -0.40 0.05 0.00 1.31 0.00 0.00 55.95 56.94 1xn5 s SER 79 Cb -0.16 -0.96 -0.02 0.00 0.21 0.00 0.00 66.02 65.09 1xn5 s SER 79 CO -0.11 0.11 -0.18 0.54 0.41 0.00 0.00 173.24 174.01 1xn5 s VAL 80 N 0.38 2.73 -0.03 3.43 0.11 -1.25 -2.53 120.40 123.24 1xn5 s VAL 80 Ca -0.13 -0.85 0.06 0.00 -2.93 0.00 0.00 61.98 58.13 1xn5 s VAL 80 Cb -0.15 -2.04 -0.01 0.00 -1.53 0.00 0.00 36.38 32.65 1xn5 s VAL 80 CO 0.05 0.59 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.31 1xn5 s THR 81 N -0.67 1.65 0.14 5.04 2.01 -0.20 -3.17 115.64 120.45 1xn5 s THR 81 Ca 0.10 -0.86 0.05 0.00 0.31 0.00 0.00 61.69 61.29 1xn5 s THR 81 Cb -0.11 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 1xn5 s THR 81 CO 0.00 0.47 0.11 -0.36 -0.69 0.00 0.00 174.62 174.15 1xn5 s PHE 82 N -0.25 3.13 -0.18 4.92 0.08 0.39 -1.34 117.98 124.74 1xn5 s PHE 82 Ca 0.02 -0.01 -0.04 0.00 0.12 0.00 0.00 56.93 57.02 1xn5 s PHE 82 Cb -0.10 -1.53 0.08 0.00 -0.57 0.00 0.00 43.02 40.90 1xn5 s PHE 82 CO 0.01 0.52 0.22 -1.01 -0.10 0.00 0.00 175.22 174.86 1xn5 s HIS 83 N -1.66 -0.28 0.29 0.36 3.76 -0.79 -2.01 115.29 114.96 1xn5 s HIS 83 Ca 0.30 0.37 0.07 0.00 -0.15 0.00 0.00 55.06 55.66 1xn5 s HIS 83 Cb -0.10 -0.31 -0.03 0.00 1.11 0.00 0.00 32.58 33.25 1xn5 s HIS 83 CO 0.23 -0.52 0.23 -0.51 -0.85 0.00 0.00 174.74 173.31 1xn5 s LEU 84 N 2.33 3.69 -0.30 0.89 1.02 -1.25 -1.76 118.68 123.31 1xn5 s LEU 84 Ca 0.06 -0.38 -0.19 0.00 0.02 0.00 0.00 54.13 53.64 1xn5 s LEU 84 Cb -0.15 -2.26 0.19 0.00 0.02 0.00 0.00 46.19 43.99 1xn5 s LEU 84 CO -0.11 -0.17 1.26 -1.59 0.02 0.00 0.00 176.35 175.76 1xn5 s LYS 85 N -3.90 0.04 0.25 1.70 0.00 -1.05 -4.11 119.74 112.67 1xn5 s LYS 85 Ca 0.36 0.09 -0.30 0.00 0.00 0.00 0.00 55.97 56.12 1xn5 s LYS 85 Cb -0.07 0.05 -0.10 0.00 0.00 0.00 0.00 37.83 37.71 1xn5 s LYS 85 CO 0.25 -0.03 1.47 -2.00 0.00 0.00 0.00 175.35 175.05 1xn5 s GLU 86 N 2.46 4.24 0.00 1.78 -6.30 -1.26 -0.97 118.70 118.65 1xn5 s GLU 86 Ca -0.04 2.35 0.00 0.00 -2.50 0.00 0.00 54.97 54.78 1xn5 s GLU 86 Cb -0.04 -3.10 0.00 0.00 0.00 0.00 0.00 34.13 30.99 1xn5 s GLU 86 CO -0.12 -0.46 0.00 -1.91 0.02 0.00 0.00 175.26 172.78 1xn5 n GLU 87 N 2.40 1.49 0.00 4.30 0.00 0.33 -4.86 120.64 124.30 1xn5 n GLU 87 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.23 1xn5 n GLU 87 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.84 1xn5 n GLU 87 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1xn5 n GLU 88 N -0.64 0.00 -2.88 5.31 1.02 -1.26 -3.78 120.64 118.41 1xn5 n GLU 88 Ca 0.00 0.55 -0.24 0.00 -0.02 0.00 0.00 57.16 57.45 1xn5 n GLU 88 Cb 0.00 -1.17 -0.02 0.00 -0.02 0.00 0.00 31.44 30.23 1xn5 n GLU 88 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1xn5 n ASN 89 N -1.51 3.60 0.00 1.62 2.85 -1.26 -5.05 115.26 115.51 1xn5 n ASN 89 Ca 0.00 -3.49 0.00 0.00 -0.11 0.00 0.00 54.58 50.98 1xn5 n ASN 89 Cb 0.00 -0.55 0.00 0.00 1.24 0.00 0.00 39.78 40.47 1xn5 n ASN 89 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xn5 n GLY 90 N -0.18 -0.53 3.49 8.20 0.00 -1.25 -4.81 105.19 110.12 1xn5 n GLY 90 Ca 0.30 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 1xn5 n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xn5 s THR 91 N -2.00 3.08 -0.19 2.61 2.01 -1.03 0.12 115.64 120.24 1xn5 s THR 91 Ca 0.00 -0.81 -0.10 0.00 0.31 0.00 0.00 61.69 61.09 1xn5 s THR 91 Cb 0.00 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 1xn5 s THR 91 CO 0.00 0.52 0.13 -0.63 -0.69 0.00 0.00 174.62 173.96 1xn5 s ILE 92 N -0.80 5.43 -0.11 1.82 -1.09 -0.14 -3.04 121.20 123.26 1xn5 s ILE 92 Ca 0.13 0.20 0.02 0.00 -2.23 0.00 0.00 60.65 58.76 1xn5 s ILE 92 Cb -0.11 -3.46 0.01 0.00 -1.58 0.00 0.00 42.46 37.33 1xn5 s ILE 92 CO 0.02 0.47 -0.17 0.12 -1.23 0.00 0.00 174.94 174.15 1xn5 s PHE 93 N 0.12 2.14 -0.02 3.97 2.19 -0.78 -2.52 117.98 123.08 1xn5 s PHE 93 Ca 0.09 -1.02 0.05 0.00 0.33 0.00 0.00 56.93 56.38 1xn5 s PHE 93 Cb -0.11 -1.52 -0.01 0.00 -1.31 0.00 0.00 43.02 40.07 1xn5 s PHE 93 CO -0.01 -0.50 -0.16 0.99 1.83 0.00 0.00 175.22 177.37 1xn5 s THR 94 N 0.92 1.29 0.04 0.12 2.01 -0.72 -1.05 115.64 118.25 1xn5 s THR 94 Ca -0.07 -0.68 0.08 0.00 0.31 0.00 0.00 61.69 61.33 1xn5 s THR 94 Cb -0.15 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 1xn5 s THR 94 CO -0.01 0.37 -0.24 -0.51 -0.69 0.00 0.00 174.62 173.54 1xn5 s ILE 95 N -0.27 1.90 -0.03 1.82 -1.16 -0.43 -1.89 121.20 121.15 1xn5 s ILE 95 Ca 0.04 -1.27 0.01 0.00 -0.51 0.00 0.00 60.65 58.92 1xn5 s ILE 95 Cb -0.07 -1.63 0.02 0.00 0.61 0.00 0.00 42.46 41.38 1xn5 s ILE 95 CO -0.00 0.31 -0.04 -0.69 -2.81 0.00 0.00 174.94 171.71 1xn5 s VAL 96 N -0.78 0.41 -0.06 4.00 1.01 -0.45 -1.45 120.40 123.08 1xn5 s VAL 96 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1xn5 s VAL 96 Cb -0.09 -0.42 0.02 0.00 0.00 0.00 0.00 36.38 35.89 1xn5 s VAL 96 CO 0.02 0.17 -0.04 -2.28 0.00 0.00 0.00 175.10 172.97 1xn5 s HIS 97 N 0.62 0.84 0.26 5.22 2.46 -1.22 -1.03 115.29 122.44 1xn5 s HIS 97 Ca -0.07 -0.27 0.01 0.00 0.47 0.00 0.00 55.06 55.20 1xn5 s HIS 97 Cb -0.11 -0.79 -0.04 0.00 -0.13 0.00 0.00 32.58 31.51 1xn5 s HIS 97 CO -0.00 -0.27 0.14 -1.12 -2.47 0.00 0.00 174.74 171.01 1xn5 s SER 98 N 1.30 0.96 0.00 9.88 0.01 -1.05 -2.23 113.70 122.58 1xn5 s SER 98 Ca -0.05 -1.46 0.00 0.00 1.31 0.00 0.00 55.95 55.75 1xn5 s SER 98 Cb -0.14 0.33 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 0.00 173.24 173.40 1xn5 n GLY 99 N -0.44 0.94 3.61 3.44 0.00 -1.26 -2.79 105.19 108.69 1xn5 n GLY 99 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.86 2.52 0.32 1.61 0.52 -1.26 -4.56 118.94 116.24 1xn5 s TRP 100 Ca 0.00 -0.43 0.03 0.00 0.02 0.00 0.00 56.10 55.72 1xn5 s TRP 100 Cb 0.00 -1.44 0.03 0.00 -1.15 0.00 0.00 33.47 30.91 1xn5 s TRP 100 CO 0.00 0.51 0.25 1.63 0.02 0.00 0.00 176.95 179.35 1xn5 n LYS 101 N -0.92 1.01 -0.64 4.98 5.02 -1.26 -5.00 118.16 121.35 1xn5 n LYS 101 Ca -0.04 -2.03 -0.31 0.00 -2.02 0.00 0.00 58.31 53.91 1xn5 n LYS 101 Cb 0.62 0.21 0.18 0.00 -0.02 0.00 0.00 35.03 36.03 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 -1.27 -1.02 -1.19 1.97 6.02 -1.26 -4.11 117.38 116.52 1xn5 n GLN 102 Ca -0.01 -0.25 -0.21 0.00 -0.01 0.00 0.00 57.00 56.53 1xn5 n GLN 102 Cb 0.37 -2.19 -0.04 0.00 1.02 0.00 0.00 30.24 29.40 1xn5 n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xn5 n GLY 103 N 0.78 4.04 0.83 1.08 0.00 -1.26 -3.79 105.19 106.87 1xn5 n GLY 103 Ca 0.08 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1xn5 n GLY 103 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xn5 n ASP 104 N 0.91 0.94 -4.63 1.61 9.92 -1.26 -4.73 116.55 119.30 1xn5 n ASP 104 Ca 0.40 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 54.36 1xn5 n ASP 104 Cb 0.60 0.00 0.18 0.00 -0.64 0.00 0.00 41.12 41.27 1xn5 n ASP 104 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1xn5 s THR 105 N -1.81 2.29 0.24 -3.53 -1.32 -1.25 -4.82 115.64 105.43 1xn5 s THR 105 Ca 0.00 0.09 0.08 0.00 -1.21 0.00 0.00 61.69 60.66 1xn5 s THR 105 Cb 0.00 -2.29 -0.04 0.00 -1.51 0.00 0.00 72.50 68.66 1xn5 s THR 105 CO 0.00 -0.12 0.05 -0.75 -2.21 0.00 0.00 174.62 171.59 1xn5 s LYS 106 N -4.69 2.48 -1.00 7.08 2.20 -1.26 -2.29 119.74 122.25 1xn5 s LYS 106 Ca 0.66 -1.24 -0.03 0.00 -0.36 0.00 0.00 55.97 55.00 1xn5 s LYS 106 Cb -0.22 -2.32 0.28 0.00 -1.51 0.00 0.00 37.83 34.07 1xn5 s LYS 106 CO 0.60 0.40 1.20 0.28 -0.36 0.00 0.00 175.35 177.47 1xn5 n VAL 107 N -0.75 4.44 -0.36 4.02 0.31 -0.22 -4.81 118.33 120.97 1xn5 n VAL 107 Ca -0.08 -5.60 0.26 0.00 -0.01 0.00 0.00 64.34 58.91 1xn5 n VAL 107 Cb 0.58 -2.24 0.52 0.00 -0.91 0.00 0.00 33.84 31.79 1xn5 n VAL 107 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1xn5 h GLU 108 N 5.62 0.31 -0.46 5.55 -0.00 -1.95 1.55 114.58 125.19 1xn5 h GLU 108 Ca 0.19 -0.02 0.08 0.00 -0.00 0.00 0.00 59.36 59.61 1xn5 h GLU 108 Cb 0.71 -0.07 -0.07 0.00 -0.00 0.00 0.00 28.75 29.32 1xn5 h GLU 108 CO 1.13 0.20 0.07 -0.22 -0.00 0.00 0.00 179.01 180.20 1xn5 h LYS 109 N 0.32 0.20 0.00 1.06 1.63 -1.95 -3.19 116.57 114.64 1xn5 h LYS 109 Ca 0.69 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.46 1xn5 h LYS 109 Cb 1.79 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 33.37 1xn5 h LYS 109 CO -0.42 0.13 -0.29 0.00 -3.45 0.00 0.00 179.45 175.41 1xn5 h ALA 110 N 1.37 0.03 0.00 5.00 0.00 -0.17 -3.49 119.26 121.99 1xn5 h ALA 110 Ca 0.23 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xn5 h ALA 110 Cb 0.31 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xn5 h ALA 110 CO -0.32 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.58 1xn5 n GLY 111 N 1.67 1.36 3.41 0.00 0.00 0.47 -5.09 105.19 107.01 1xn5 n GLY 111 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 1xn5 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xn5 s ALA 112 N -2.00 -1.48 0.61 4.61 0.00 -1.22 -5.00 121.76 117.28 1xn5 s ALA 112 Ca 0.00 0.44 -0.18 0.00 0.00 0.00 0.00 51.96 52.22 1xn5 s ALA 112 Cb 0.00 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 1xn5 s ALA 112 CO 0.00 -0.72 1.04 0.39 0.00 0.00 0.00 175.76 176.47 1xn5 n GLU 113 N -0.25 0.96 -0.11 0.00 -0.58 -1.26 -1.05 120.64 118.35 1xn5 n GLU 113 Ca -0.17 0.37 0.05 0.00 -0.42 0.00 0.00 57.16 56.99 1xn5 n GLU 113 Cb 0.64 -2.24 0.38 0.00 -0.57 0.00 0.00 31.44 29.65 1xn5 n GLU 113 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1xn5 h SER 114 N 0.52 0.59 -0.36 1.62 0.02 -1.77 0.23 113.55 114.40 1xn5 h SER 114 Ca -0.49 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.31 1xn5 h SER 114 Cb 1.36 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1xn5 h SER 114 CO 0.51 0.40 -0.32 0.00 -1.14 0.00 0.00 176.83 176.29 1xn5 h ALA 115 N 1.66 0.52 0.18 3.77 0.00 -1.85 0.21 119.26 123.76 1xn5 h ALA 115 Ca 0.24 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1xn5 h ALA 115 Cb 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xn5 h ALA 115 CO -0.06 0.57 -0.09 0.28 0.00 0.00 0.00 179.25 179.95 1xn5 h VAL 116 N 0.65 0.82 -0.60 0.00 2.07 -1.54 -1.29 116.25 116.36 1xn5 h VAL 116 Ca 0.06 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1xn5 h VAL 116 Cb 0.90 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1xn5 h VAL 116 CO 0.08 0.00 0.28 0.58 0.02 0.00 0.00 177.57 178.54 1xn5 h VAL 117 N -0.24 1.21 -0.42 2.57 2.07 -0.97 0.43 116.25 120.89 1xn5 h VAL 117 Ca -0.02 -0.60 0.08 0.00 0.82 0.00 0.00 66.70 66.97 1xn5 h VAL 117 Cb 0.19 0.51 -0.09 0.00 -1.52 0.00 0.00 31.29 30.37 1xn5 h VAL 117 CO 0.04 0.24 -0.32 -0.74 0.02 0.00 0.00 177.57 176.81 1xn5 h HIS 118 N 0.82 -0.89 0.06 1.57 6.17 -0.19 1.24 115.15 123.93 1xn5 h HIS 118 Ca 0.20 0.06 -0.00 0.00 0.71 0.00 0.00 60.37 61.34 1xn5 h HIS 118 Cb 0.12 0.45 0.00 0.00 2.52 0.00 0.00 27.41 30.51 1xn5 h HIS 118 CO 0.00 -0.38 -0.03 0.93 0.71 0.00 0.00 177.93 179.16 1xn5 h GLU 119 N -0.24 -0.08 0.17 5.26 5.08 -0.97 0.46 114.58 124.26 1xn5 h GLU 119 Ca 0.18 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1xn5 h GLU 119 Cb 0.54 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 1xn5 h GLU 119 CO -0.55 0.15 -0.53 0.00 -1.00 0.00 0.00 179.01 177.08 1xn5 h ARG 120 N -0.30 -0.76 -0.34 2.33 3.08 0.02 0.95 114.38 119.36 1xn5 h ARG 120 Ca -0.01 0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.10 1xn5 h ARG 120 Cb 0.26 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1xn5 h ARG 120 CO 0.01 -0.51 0.21 0.52 -1.07 0.00 0.00 179.97 179.14 1xn5 h MET 121 N -0.79 0.43 -0.12 0.04 2.86 0.15 -0.46 114.93 117.05 1xn5 h MET 121 Ca -0.01 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1xn5 h MET 121 Cb 0.78 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.29 1xn5 h MET 121 CO -0.26 0.28 -0.16 0.22 1.06 0.00 0.00 176.91 178.05 1xn5 h ASP 122 N 0.44 -0.49 -0.03 1.22 1.82 0.40 1.37 116.42 121.14 1xn5 h ASP 122 Ca 0.13 0.09 0.03 0.00 -0.39 0.00 0.00 57.03 56.89 1xn5 h ASP 122 Cb -0.03 0.23 -0.04 0.00 0.68 0.00 0.00 39.33 40.17 1xn5 h ASP 122 CO -0.05 -0.21 -0.22 0.03 -1.61 0.00 0.00 179.24 177.18 1xn5 h ARG 123 N -0.21 -0.33 -0.08 0.28 3.08 0.13 0.39 114.38 117.64 1xn5 h ARG 123 Ca 0.09 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 1xn5 h ARG 123 Cb 0.34 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1xn5 h ARG 123 CO -0.24 -0.22 -0.14 0.78 -1.07 0.00 0.00 179.97 179.09 1xn5 h GLY 124 N -0.34 0.12 0.78 0.04 0.00 -0.55 0.33 103.07 103.46 1xn5 h GLY 124 Ca 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1xn5 h GLY 124 CO -0.23 0.07 -0.01 1.49 0.00 0.00 0.00 176.54 177.86 1xn5 h TRP 125 N 0.11 0.31 0.37 5.60 4.06 0.32 0.30 115.95 127.02 1xn5 h TRP 125 Ca 0.02 -0.06 -0.02 0.00 2.06 0.00 0.00 58.89 60.90 1xn5 h TRP 125 Cb 0.32 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.40 1xn5 h TRP 125 CO 0.00 0.52 -0.18 1.25 -3.56 0.00 0.00 178.44 176.48 1xn5 h HIS 126 N 0.01 -0.46 -0.91 0.49 2.76 0.25 -0.50 115.15 116.79 1xn5 h HIS 126 Ca 0.04 -0.01 0.17 0.00 -2.20 0.00 0.00 60.37 58.37 1xn5 h HIS 126 Cb 0.41 0.15 -0.07 0.00 1.55 0.00 0.00 27.41 29.45 1xn5 h HIS 126 CO 0.04 -0.14 0.59 -0.44 -1.30 0.00 0.00 177.93 176.68 1xn5 h ASP 127 N -0.79 0.59 0.24 3.26 3.32 -0.37 0.20 116.42 122.87 1xn5 h ASP 127 Ca -0.05 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1xn5 h ASP 127 Cb 0.52 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1xn5 h ASP 127 CO 0.08 0.27 -0.11 0.25 -1.72 0.00 0.00 179.24 178.00 1xn5 h LEU 128 N 0.60 -0.27 -3.55 1.55 5.85 -0.16 -2.67 115.31 116.67 1xn5 h LEU 128 Ca 0.47 -0.13 -0.39 0.00 0.84 0.00 0.00 57.88 58.67 1xn5 h LEU 128 Cb 0.89 0.07 -0.17 0.00 0.37 0.00 0.00 40.66 41.82 1xn5 h LEU 128 CO -0.22 -0.03 0.51 0.55 -0.34 0.00 0.00 178.44 178.91 1xn5 n VAL 129 N -5.14 2.90 0.02 1.05 3.14 -0.22 -1.12 118.33 118.95 1xn5 n VAL 129 Ca -0.09 -1.85 0.00 0.00 -2.96 0.00 0.00 64.34 59.44 1xn5 n VAL 129 Cb 0.21 -1.23 0.00 0.00 -1.06 0.00 0.00 33.84 31.76 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 0.01 0.31 0.00 6.55 5.03 0.55 -4.59 115.26 123.11 1xn5 n ASN 130 Ca 0.37 0.05 0.00 0.00 0.87 0.00 0.00 54.58 55.87 1xn5 n ASN 130 Cb 0.66 -0.09 0.00 0.00 -1.02 0.00 0.00 39.78 39.33 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 -2.79 1.07 -0.31 3.52 -0.00 -1.13 -4.18 120.64 116.82 1xn5 n GLU 131 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.16 57.29 1xn5 n GLU 131 Cb 0.00 -0.98 0.36 0.00 -0.00 0.00 0.00 31.44 30.82 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 0.70 0.06 3.44 2.47 -1.56 0.59 114.38 120.08 1xn5 h ARG 132 Ca 0.00 -0.04 -0.18 0.00 -1.26 0.00 0.00 59.98 58.50 1xn5 h ARG 132 Cb 0.96 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 29.11 1xn5 h ARG 132 CO 0.00 0.46 -0.91 1.25 0.56 0.00 0.00 179.97 181.34 1xn5 h LEU 133 N 0.72 0.21 -1.53 3.04 5.85 -1.39 -3.31 115.31 118.90 1xn5 h LEU 133 Ca 0.50 -0.83 0.21 0.00 0.84 0.00 0.00 57.88 58.60 1xn5 h LEU 133 Cb 0.82 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 1xn5 h LEU 133 CO -0.27 1.39 0.60 -0.09 -0.34 0.00 0.00 178.44 179.74 1xn5 h ARG 134 N -0.65 0.37 -0.19 1.25 2.43 -1.54 0.61 114.38 116.67 1xn5 h ARG 134 Ca -0.21 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.89 1xn5 h ARG 134 Cb 1.44 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 1xn5 h ARG 134 CO -0.00 0.24 -0.11 0.37 -1.51 0.00 0.00 179.97 178.96 1xn5 h GLN 135 N 0.38 0.30 -0.08 0.20 -0.00 0.06 1.47 115.11 117.43 1xn5 h GLN 135 Ca 0.48 -0.07 0.02 0.00 -0.00 0.00 0.00 58.65 59.08 1xn5 h GLN 135 Cb 1.23 -0.04 -0.00 0.00 0.00 0.00 0.00 27.48 28.66 1xn5 h GLN 135 CO -0.17 0.42 0.14 0.82 0.00 0.00 0.00 178.83 180.04 1xn5 h ILE 136 N 0.28 0.30 0.00 2.39 1.08 0.16 -2.17 117.51 119.55 1xn5 h ILE 136 Ca 0.06 0.00 -0.16 0.00 -0.39 0.00 0.00 64.86 64.37 1xn5 h ILE 136 Cb 0.38 0.88 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 1xn5 h ILE 136 CO 0.02 0.00 -1.59 1.33 -0.69 0.00 0.00 178.15 177.22 1xn5 n VAL 137 N -3.51 0.59 1.55 1.67 0.24 -0.43 -5.07 118.33 113.37 1xn5 n VAL 137 Ca -0.01 -0.34 0.14 0.00 -2.04 0.00 0.00 64.34 62.10 1xn5 n VAL 137 Cb 0.23 -0.79 0.57 0.00 -1.47 0.00 0.00 33.84 32.38 1xn5 n VAL 137 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07