#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 -0.92 1.12 5.66 -1.26 -5.16 114.28 113.72 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 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 68.85 1xn5 n THR 2 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1xn5 n ARG 3 N -0.12 -0.30 -1.53 1.09 3.00 -1.26 -4.53 116.66 113.01 1xn5 n ARG 3 Ca 0.00 -0.08 -0.60 0.00 -0.01 0.00 0.00 57.85 57.16 1xn5 n ARG 3 Cb 0.00 -1.20 -0.09 0.00 0.00 0.00 0.00 32.46 31.17 1xn5 n ARG 3 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1xn5 n LEU 4 N 2.17 1.51 -4.81 0.55 4.77 -1.12 -4.81 117.00 115.26 1xn5 n LEU 4 Ca -0.01 0.86 -0.33 0.00 -0.03 0.00 0.00 56.01 56.51 1xn5 n LEU 4 Cb 0.66 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1xn5 n LEU 4 CO 0.48 -0.70 0.71 -2.16 -1.33 0.00 0.00 177.39 174.40 1xn5 s PRO 5 N 4.68 3.41 0.52 3.23 0.04 -1.26 -4.77 135.00 140.85 1xn5 s PRO 5 Ca 1.09 1.17 -0.22 0.00 0.04 0.00 0.00 61.00 63.08 1xn5 s PRO 5 Cb -1.28 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 31.15 1xn5 s PRO 5 CO 0.67 -0.73 1.34 -0.25 0.04 0.00 0.00 177.00 178.06 1xn5 n ASP 6 N -1.95 2.65 -3.84 6.66 8.00 -1.26 -4.81 116.55 121.99 1xn5 n ASP 6 Ca 0.08 1.00 -0.41 0.00 0.71 0.00 0.00 54.79 56.18 1xn5 n ASP 6 Cb 0.53 -1.56 -0.04 0.00 -0.02 0.00 0.00 41.12 40.03 1xn5 n ASP 6 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1xn5 n ILE 7 N -0.87 2.25 -3.07 0.53 5.41 0.13 -4.84 119.36 118.89 1xn5 n ILE 7 Ca 0.09 -2.06 -0.40 0.00 1.00 0.00 0.00 62.75 61.39 1xn5 n ILE 7 Cb 0.44 -2.35 -0.05 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 4.85 4.25 0.16 0.38 2.20 -1.26 -2.97 119.74 127.35 1xn5 s LYS 8 Ca 0.57 0.71 0.00 0.00 -0.36 0.00 0.00 55.97 56.89 1xn5 s LYS 8 Cb 0.11 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 1xn5 s LYS 8 CO 0.08 -0.22 0.04 0.15 -0.36 0.00 0.00 175.35 175.04 1xn5 s LYS 9 N 1.84 1.05 -0.06 4.03 -0.14 -0.57 -5.00 119.74 120.90 1xn5 s LYS 9 Ca 0.31 -1.51 -0.13 0.00 -1.36 0.00 0.00 55.97 53.28 1xn5 s LYS 9 Cb -0.16 0.01 0.03 0.00 -1.68 0.00 0.00 37.83 36.03 1xn5 s LYS 9 CO 0.11 -0.22 0.32 -2.00 -0.76 0.00 0.00 175.35 172.80 1xn5 s GLU 10 N -4.00 0.55 0.13 1.68 -6.30 -1.26 -0.83 118.70 108.67 1xn5 s GLU 10 Ca 0.26 0.07 -0.07 0.00 -2.50 0.00 0.00 54.97 52.73 1xn5 s GLU 10 Cb 0.07 0.25 -0.01 0.00 0.00 0.00 0.00 34.13 34.44 1xn5 s GLU 10 CO 0.04 -0.13 0.20 0.14 0.02 0.00 0.00 175.26 175.53 1xn5 s VAL 11 N -0.71 0.10 -0.08 3.70 -7.23 -0.19 -5.02 120.40 110.97 1xn5 s VAL 11 Ca -0.08 -1.46 0.02 0.00 -1.81 0.00 0.00 61.98 58.65 1xn5 s VAL 11 Cb -0.04 -1.73 0.02 0.00 0.56 0.00 0.00 36.38 35.19 1xn5 s VAL 11 CO 0.03 -0.47 -0.12 -0.60 -0.31 0.00 0.00 175.10 173.63 1xn5 s ARG 12 N -3.95 1.75 0.10 4.82 3.52 -1.26 -2.03 118.95 121.91 1xn5 s ARG 12 Ca 0.15 -0.41 0.09 0.00 -0.13 0.00 0.00 55.73 55.43 1xn5 s ARG 12 Cb 0.05 -1.52 -0.04 0.00 -1.56 0.00 0.00 34.95 31.88 1xn5 s ARG 12 CO -0.03 -0.04 -0.24 -0.06 -0.81 0.00 0.00 175.30 174.12 1xn5 s PHE 13 N 0.92 2.03 -0.64 5.12 0.08 -0.97 -5.03 117.98 119.48 1xn5 s PHE 13 Ca -0.10 -0.40 -0.18 0.00 0.12 0.00 0.00 56.93 56.38 1xn5 s PHE 13 Cb -0.15 -1.12 0.13 0.00 -0.57 0.00 0.00 43.02 41.30 1xn5 s PHE 13 CO 0.01 0.24 0.72 -0.80 -0.10 0.00 0.00 175.22 175.29 1xn5 s ASN 14 N -1.86 6.30 0.00 1.36 0.01 -1.26 -1.72 114.94 117.77 1xn5 s ASN 14 Ca 0.10 -1.71 0.00 0.00 -0.71 0.00 0.00 52.86 50.53 1xn5 s ASN 14 Cb -0.10 -2.28 0.00 0.00 0.41 0.00 0.00 41.25 39.28 1xn5 s ASN 14 CO 0.05 -1.00 0.00 0.00 -1.51 0.00 0.00 177.10 174.64 1xn5 n ALA 15 N 5.86 0.00 -2.45 0.60 0.00 -1.26 -4.93 120.51 118.33 1xn5 n ALA 15 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 1xn5 n ALA 15 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 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 4.45 0.60 0.00 0.04 -1.26 -3.62 135.00 133.21 1xn5 s PRO 16 Ca 0.00 1.72 0.29 0.00 0.04 0.00 0.00 61.00 63.05 1xn5 s PRO 16 Cb 0.00 -3.36 1.52 0.00 0.04 0.00 0.00 34.50 32.70 1xn5 s PRO 16 CO 0.00 -0.23 1.92 0.97 0.04 0.00 0.00 177.00 179.71 1xn5 h ILE 17 N 4.54 0.32 -0.62 0.56 2.10 -1.97 0.49 117.51 122.92 1xn5 h ILE 17 Ca -0.42 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.47 1xn5 h ILE 17 Cb 1.21 0.65 -0.03 0.00 -1.09 0.00 0.00 36.82 37.57 1xn5 h ILE 17 CO 0.80 0.00 0.16 -0.08 -1.08 0.00 0.00 178.15 177.96 1xn5 h GLU 18 N 0.00 0.97 0.16 2.19 4.81 -1.97 1.33 114.58 122.07 1xn5 h GLU 18 Ca 0.16 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1xn5 h GLU 18 Cb 1.01 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.25 1xn5 h GLU 18 CO -0.00 0.85 -0.08 -0.22 -0.73 0.00 0.00 179.01 178.83 1xn5 h LYS 19 N 0.93 -0.21 -0.82 1.92 3.64 -0.41 -0.96 116.57 120.65 1xn5 h LYS 19 Ca 0.20 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1xn5 h LYS 19 Cb 0.31 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1xn5 h LYS 19 CO -0.00 0.22 0.52 0.28 -2.27 0.00 0.00 179.45 178.19 1xn5 h VAL 20 N -0.81 1.22 -0.72 2.00 2.07 -1.36 0.69 116.25 119.35 1xn5 h VAL 20 Ca -0.02 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.06 1xn5 h VAL 20 Cb 0.53 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 1xn5 h VAL 20 CO 0.04 0.23 0.45 -0.25 0.02 0.00 0.00 177.57 178.06 1xn5 h TRP 21 N 1.13 0.85 -0.13 1.57 -0.00 0.17 -0.51 115.95 119.03 1xn5 h TRP 21 Ca 0.30 0.02 -0.14 0.00 -0.00 0.00 0.00 58.89 59.07 1xn5 h TRP 21 Cb -0.07 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 28.80 1xn5 h TRP 21 CO -0.01 0.49 -0.53 0.93 -0.00 0.00 0.00 178.44 179.32 1xn5 h GLU 22 N 0.89 0.38 0.00 2.65 3.07 -0.07 -0.17 114.58 121.34 1xn5 h GLU 22 Ca 0.29 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1xn5 h GLU 22 Cb 0.01 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1xn5 h GLU 22 CO -0.10 0.82 0.00 0.00 -1.40 0.00 0.00 179.01 178.33 1xn5 n ALA 23 N -2.49 1.54 0.00 3.43 0.00 0.23 -0.58 120.51 122.64 1xn5 n ALA 23 Ca -0.02 0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.47 1xn5 n ALA 23 Cb 0.58 -1.30 0.02 0.00 0.00 0.00 0.00 19.45 18.75 1xn5 n ALA 23 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1xn5 n VAL 24 N -1.93 0.69 -0.03 0.00 0.24 -0.32 -2.35 118.33 114.62 1xn5 n VAL 24 Ca 0.02 -0.84 -0.01 0.00 -2.04 0.00 0.00 64.34 61.47 1xn5 n VAL 24 Cb 0.17 0.67 -0.07 0.00 -1.47 0.00 0.00 33.84 33.14 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 -0.19 2.92 -4.97 -1.34 3.41 -0.13 -4.87 113.62 108.45 1xn5 n SER 25 Ca 0.02 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.42 1xn5 n SER 25 Cb 0.21 0.97 0.00 0.00 -0.26 0.00 0.00 64.21 65.13 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 -2.36 4.13 -0.11 6.66 -4.23 0.25 -2.50 115.64 117.48 1xn5 s THR 26 Ca -0.04 -0.75 -0.20 0.00 -1.18 0.00 0.00 61.69 59.52 1xn5 s THR 26 Cb 0.04 -3.48 -0.27 0.00 1.34 0.00 0.00 72.50 70.13 1xn5 s THR 26 CO 0.36 -0.26 0.63 0.28 -0.54 0.00 0.00 174.62 175.09 1xn5 h SER 27 N 0.67 0.29 -0.70 3.99 0.02 -1.86 -2.85 113.55 113.11 1xn5 h SER 27 Ca -0.46 -0.85 -0.06 0.00 -0.84 0.00 0.00 61.79 59.58 1xn5 h SER 27 Cb 1.25 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.67 1xn5 h SER 27 CO 0.56 1.45 0.23 -0.08 -1.14 0.00 0.00 176.83 177.84 1xn5 h GLU 28 N -0.53 1.10 -0.56 3.45 4.22 -1.91 0.55 114.58 120.91 1xn5 h GLU 28 Ca -0.22 -0.23 -0.11 0.00 0.08 0.00 0.00 59.36 58.89 1xn5 h GLU 28 Cb 1.55 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 1xn5 h GLU 28 CO 0.04 0.93 -0.06 0.78 -2.18 0.00 0.00 179.01 178.51 1xn5 h GLY 29 N 1.10 1.11 0.40 1.92 0.00 -1.82 -1.25 103.07 104.52 1xn5 h GLY 29 Ca 0.23 -0.87 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 1xn5 h GLY 29 CO -0.01 0.80 -0.10 1.41 0.00 0.00 0.00 176.54 178.64 1xn5 h LEU 30 N 0.91 -0.23 -1.99 3.11 3.38 -1.13 -2.95 115.31 116.41 1xn5 h LEU 30 Ca 0.15 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1xn5 h LEU 30 Cb 0.63 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1xn5 h LEU 30 CO 0.04 0.29 0.34 0.00 0.09 0.00 0.00 178.44 179.20 1xn5 h ALA 31 N -0.40 1.38 0.00 1.53 0.00 0.29 1.72 119.26 123.79 1xn5 h ALA 31 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 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 0.05 -0.36 0.00 0.35 0.00 0.00 0.00 179.25 179.29 1xn5 h PHE 32 N 0.00 0.00 0.00 0.00 3.04 -1.04 -3.34 116.94 115.60 1xn5 h PHE 32 Ca 0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1xn5 h PHE 32 Cb 0.70 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.21 1xn5 h PHE 32 CO 0.00 0.00 -0.04 -2.67 -2.02 0.00 0.00 178.31 173.58 1xn5 n TRP 33 N -2.77 0.00 0.00 0.41 4.27 0.19 -4.95 117.44 114.59 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 0.11 0.47 0.00 0.00 -1.36 0.00 0.00 31.31 30.53 1xn5 n TRP 33 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1xn5 n PHE 34 N -2.49 0.00 -3.60 -2.67 7.35 0.53 -5.01 117.46 111.57 1xn5 n PHE 34 Ca 0.00 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.65 1xn5 n PHE 34 Cb 0.02 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 39.83 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 -0.05 0.59 0.24 -4.13 -1.94 -1.23 -4.87 119.30 107.90 1xn5 s MET 35 Ca 0.00 -0.27 -0.31 0.00 -1.71 0.00 0.00 55.69 53.40 1xn5 s MET 35 Cb 0.00 0.24 -0.11 0.00 2.01 0.00 0.00 34.83 36.96 1xn5 s MET 35 CO 0.00 -0.26 1.63 -1.21 -0.01 0.00 0.00 175.02 175.17 1xn5 s GLU 36 N -2.72 4.15 0.10 2.03 2.02 -1.26 -2.74 118.70 120.27 1xn5 s GLU 36 Ca 0.10 2.53 -0.03 0.00 0.02 0.00 0.00 54.97 57.59 1xn5 s GLU 36 Cb 0.00 -3.07 0.01 0.00 0.10 0.00 0.00 34.13 31.18 1xn5 s GLU 36 CO -0.04 -0.66 0.18 0.27 0.02 0.00 0.00 175.26 175.03 1xn5 n ASN 37 N 3.18 -0.53 -1.42 -0.19 0.23 -1.26 -0.89 115.26 114.38 1xn5 n ASN 37 Ca 0.12 -1.42 0.01 0.00 -0.53 0.00 0.00 54.58 52.76 1xn5 n ASN 37 Cb 0.37 0.90 0.09 0.00 -2.08 0.00 0.00 39.78 39.06 1xn5 n ASN 37 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1xn5 n ASP 38 N -1.30 1.75 -4.76 0.53 -0.08 -1.21 -4.77 116.55 106.70 1xn5 n ASP 38 Ca -0.02 -2.85 -0.36 0.00 -1.51 0.00 0.00 54.79 50.05 1xn5 n ASP 38 Cb 0.15 -0.41 0.02 0.00 2.34 0.00 0.00 41.12 43.22 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 -2.01 3.73 -0.02 -2.67 2.96 -1.26 -4.81 118.68 114.60 1xn5 s LEU 39 Ca 0.36 2.31 0.19 0.00 -0.22 0.00 0.00 54.13 56.77 1xn5 s LEU 39 Cb 0.38 -4.56 0.32 0.00 0.50 0.00 0.00 46.19 42.82 1xn5 s LEU 39 CO -0.10 -1.40 1.13 0.29 -1.32 0.00 0.00 176.35 174.95 1xn5 n LYS 40 N -1.39 0.09 -3.75 1.98 5.02 -1.25 -3.34 118.16 115.53 1xn5 n LYS 40 Ca 0.12 -1.77 -0.29 0.00 -2.02 0.00 0.00 58.31 54.36 1xn5 n LYS 40 Cb 0.50 0.08 0.01 0.00 -0.02 0.00 0.00 35.03 35.61 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 0.29 -2.67 -3.63 7.82 0.00 -1.04 -4.97 120.51 116.31 1xn5 n ALA 41 Ca -0.04 -0.31 -0.16 0.00 0.00 0.00 0.00 53.44 52.94 1xn5 n ALA 41 Cb 1.01 -2.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 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 -5.53 0.11 0.35 0.00 2.12 -1.26 -4.98 118.70 109.51 1xn5 s GLU 42 Ca 0.22 0.56 -0.28 0.00 0.36 0.00 0.00 54.97 55.83 1xn5 s GLU 42 Cb -0.10 -0.37 -0.11 0.00 0.26 0.00 0.00 34.13 33.81 1xn5 s GLU 42 CO 0.89 -0.37 1.38 -0.08 -0.54 0.00 0.00 175.26 176.54 1xn5 s THR 43 N 2.35 2.43 -0.67 -1.70 -1.32 -1.26 -2.19 115.64 113.29 1xn5 s THR 43 Ca 0.03 0.44 0.00 0.00 -1.21 0.00 0.00 61.69 60.95 1xn5 s THR 43 Cb -0.13 -3.28 0.00 0.00 -1.51 0.00 0.00 72.50 67.58 1xn5 s THR 43 CO -0.08 0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 1xn5 n GLY 44 N 0.65 0.79 3.86 6.08 0.00 -0.87 -5.01 105.19 110.69 1xn5 n GLY 44 Ca 0.00 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.25 3.50 -0.34 1.61 5.04 -0.93 -4.93 115.29 117.00 1xn5 s HIS 45 Ca 0.00 0.99 -0.02 0.00 -1.54 0.00 0.00 55.06 54.49 1xn5 s HIS 45 Cb 0.00 -2.34 0.07 0.00 0.04 0.00 0.00 32.58 30.35 1xn5 s HIS 45 CO 0.00 0.32 0.07 -3.38 -2.34 0.00 0.00 174.74 169.41 1xn5 s HIS 46 N -1.68 3.37 0.01 3.88 -3.43 -1.26 -2.41 115.29 113.76 1xn5 s HIS 46 Ca 0.44 -2.00 0.03 0.00 -0.80 0.00 0.00 55.06 52.73 1xn5 s HIS 46 Cb -0.13 -2.46 -0.01 0.00 -1.43 0.00 0.00 32.58 28.55 1xn5 s HIS 46 CO 0.20 -0.85 -0.09 -0.59 -2.00 0.00 0.00 174.74 171.41 1xn5 s PHE 47 N 1.23 0.83 0.55 0.38 -0.71 -0.74 -5.04 117.98 114.48 1xn5 s PHE 47 Ca -0.01 -0.22 -0.01 0.00 -1.04 0.00 0.00 56.93 55.65 1xn5 s PHE 47 Cb -0.21 -0.52 0.02 0.00 -1.21 0.00 0.00 43.02 41.11 1xn5 s PHE 47 CO -0.02 -0.01 0.79 -1.01 -1.34 0.00 0.00 175.22 173.64 1xn5 s HIS 48 N -0.46 3.05 -0.13 3.49 3.76 -1.26 -1.39 115.29 122.34 1xn5 s HIS 48 Ca 0.01 0.23 0.00 0.00 -0.15 0.00 0.00 55.06 55.16 1xn5 s HIS 48 Cb -0.05 -2.67 0.02 0.00 1.11 0.00 0.00 32.58 30.99 1xn5 s HIS 48 CO 0.00 -0.78 -0.12 -1.17 -0.85 0.00 0.00 174.74 171.83 1xn5 s LEU 49 N -4.80 1.48 -1.24 0.89 2.96 -0.03 -3.36 118.68 114.59 1xn5 s LEU 49 Ca 0.54 -0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 53.93 1xn5 s LEU 49 Cb -0.10 -1.04 0.17 0.00 0.50 0.00 0.00 46.19 45.72 1xn5 s LEU 49 CO 0.40 -0.08 1.62 0.00 -1.32 0.00 0.00 176.35 176.97 1xn5 n GLN 50 N 4.81 3.47 -2.22 1.98 1.13 -0.07 -1.89 117.38 124.59 1xn5 n GLN 50 Ca -0.15 -3.71 -0.26 0.00 -1.94 0.00 0.00 57.00 50.94 1xn5 n GLN 50 Cb 0.50 -3.00 0.07 0.00 0.11 0.00 0.00 30.24 27.93 1xn5 n GLN 50 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1xn5 s SER 51 N 2.03 4.73 -0.05 1.08 1.04 -1.26 -4.19 113.70 117.08 1xn5 s SER 51 Ca 0.42 0.39 -0.25 0.00 0.48 0.00 0.00 55.95 56.99 1xn5 s SER 51 Cb 0.02 -1.01 -0.23 0.00 0.10 0.00 0.00 66.02 64.91 1xn5 s SER 51 CO 0.00 -1.65 1.06 1.55 0.98 0.00 0.00 173.24 175.19 1xn5 h PRO 52 N -0.62 0.15 -2.10 4.02 0.13 -2.00 -3.31 132.00 128.27 1xn5 h PRO 52 Ca -0.44 -0.15 -0.25 0.00 -0.87 0.00 0.00 66.00 64.29 1xn5 h PRO 52 Cb 1.31 0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.41 1xn5 h PRO 52 CO 0.58 0.86 0.08 1.19 -0.23 0.00 0.00 178.00 180.49 1xn5 n PHE 53 N -4.56 0.33 0.00 1.56 3.72 -1.26 -4.85 117.46 112.39 1xn5 n PHE 53 Ca -0.09 -1.69 0.00 0.00 -0.05 0.00 0.00 57.45 55.62 1xn5 n PHE 53 Cb 0.46 -1.68 0.00 0.00 -0.94 0.00 0.00 39.48 37.32 1xn5 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xn5 n GLY 54 N 2.53 -2.63 3.80 1.37 0.00 -1.25 -4.97 105.19 104.04 1xn5 n GLY 54 Ca 0.47 -1.28 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 1xn5 n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xn5 s PRO 55 N -4.64 3.81 0.05 1.61 0.04 -1.26 -4.13 135.00 130.47 1xn5 s PRO 55 Ca 0.00 1.36 0.02 0.00 0.04 0.00 0.00 61.00 62.42 1xn5 s PRO 55 Cb 0.00 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1xn5 s PRO 55 CO 0.00 -0.43 -0.08 -1.12 0.04 0.00 0.00 177.00 175.42 1xn5 s SER 56 N -1.97 0.90 0.48 6.66 0.01 -0.79 -4.95 113.70 114.03 1xn5 s SER 56 Ca 0.67 -0.61 -0.20 0.00 1.31 0.00 0.00 55.95 57.12 1xn5 s SER 56 Cb -0.16 0.04 -0.09 0.00 0.21 0.00 0.00 66.02 66.02 1xn5 s SER 56 CO 0.20 -0.24 1.04 -2.16 0.41 0.00 0.00 173.24 172.49 1xn5 s PRO 57 N -1.87 3.82 -0.01 12.44 0.04 -1.26 -0.85 135.00 147.30 1xn5 s PRO 57 Ca -0.07 1.36 -0.08 0.00 0.04 0.00 0.00 61.00 62.25 1xn5 s PRO 57 Cb -0.08 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.36 1xn5 s PRO 57 CO -0.00 -0.42 0.17 0.00 0.04 0.00 0.00 177.00 176.79 1xn5 s GLN 59 N -1.19 0.38 0.33 0.00 0.74 -1.10 -1.79 119.66 117.03 1xn5 s GLN 59 Ca -0.13 1.00 -0.29 0.00 0.05 0.00 0.00 55.36 55.99 1xn5 s GLN 59 Cb -0.06 0.25 -0.10 0.00 1.10 0.00 0.00 33.01 34.19 1xn5 s GLN 59 CO 0.02 -0.22 1.39 0.08 -0.55 0.00 0.00 175.29 176.01 1xn5 s VAL 60 N 2.22 2.49 -0.09 1.34 1.01 -1.01 -1.15 120.40 125.21 1xn5 s VAL 60 Ca -0.05 0.48 0.04 0.00 0.00 0.00 0.00 61.98 62.45 1xn5 s VAL 60 Cb -0.11 -3.30 -0.08 0.00 0.00 0.00 0.00 36.38 32.89 1xn5 s VAL 60 CO -0.13 0.11 -0.03 0.35 0.00 0.00 0.00 175.10 175.39 1xn5 n THR 61 N 0.94 0.57 -3.71 3.92 -2.24 -1.09 -2.05 114.28 110.62 1xn5 n THR 61 Ca 0.01 -0.29 -0.11 0.00 -2.27 0.00 0.00 64.05 61.40 1xn5 n THR 61 Cb 0.41 -0.82 -0.11 0.00 -2.10 0.00 0.00 70.33 67.70 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 -4.47 -0.46 -0.30 3.42 1.01 -1.19 -4.70 116.67 109.98 1xn5 s ASP 62 Ca -0.09 0.82 -0.02 0.00 0.71 0.00 0.00 52.55 53.97 1xn5 s ASP 62 Cb 0.03 0.72 0.19 0.00 1.01 0.00 0.00 42.92 44.87 1xn5 s ASP 62 CO 0.28 -0.18 0.69 0.54 0.21 0.00 0.00 175.17 176.72 1xn5 s VAL 63 N 1.16 -0.85 -0.28 -1.27 0.11 -1.26 0.75 120.40 118.77 1xn5 s VAL 63 Ca -0.08 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.98 1xn5 s VAL 63 Cb -0.08 -0.96 0.16 0.00 -1.53 0.00 0.00 36.38 33.98 1xn5 s VAL 63 CO -0.10 0.00 0.46 -0.70 -3.33 0.00 0.00 175.10 171.44 1xn5 s GLU 64 N 2.87 0.45 0.42 1.54 2.56 -0.96 -4.55 118.70 121.03 1xn5 s GLU 64 Ca 0.15 0.48 0.00 0.00 0.00 0.00 0.00 54.97 55.60 1xn5 s GLU 64 Cb -0.13 -0.11 0.00 0.00 2.00 0.00 0.00 34.13 35.90 1xn5 s GLU 64 CO -0.21 -0.85 0.00 0.54 -0.56 0.00 0.00 175.26 174.19 1xn5 n ARG 65 N 5.38 -2.61 -1.49 4.30 3.00 -1.26 -3.85 116.66 120.13 1xn5 n ARG 65 Ca -0.00 1.98 -0.42 0.00 -0.01 0.00 0.00 57.85 59.39 1xn5 n ARG 65 Cb 0.51 -3.20 -0.03 0.00 0.00 0.00 0.00 32.46 29.73 1xn5 n ARG 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1xn5 n PRO 66 N -3.93 2.16 0.00 5.56 -0.04 -1.26 -3.45 135.00 134.03 1xn5 n PRO 66 Ca -0.04 -2.25 0.00 0.00 -0.04 0.00 0.00 63.50 61.17 1xn5 n PRO 66 Cb 0.64 -3.13 0.00 0.00 -0.04 0.00 0.00 33.50 30.97 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 5.69 0.00 -3.79 0.52 -6.64 -1.26 -3.98 119.36 109.90 1xn5 n ILE 67 Ca 0.50 0.00 -0.20 0.00 -1.77 0.00 0.00 62.75 61.29 1xn5 n ILE 67 Cb 0.40 -0.20 -0.17 0.00 -1.44 0.00 0.00 39.64 38.23 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 -1.65 0.27 -0.12 6.28 2.20 -1.22 -3.66 119.74 121.83 1xn5 s LYS 68 Ca 0.00 0.19 -0.05 0.00 -0.36 0.00 0.00 55.97 55.75 1xn5 s LYS 68 Cb 0.00 -0.65 0.05 0.00 -1.51 0.00 0.00 37.83 35.73 1xn5 s LYS 68 CO 0.00 -0.25 0.26 -1.17 -0.36 0.00 0.00 175.35 173.83 1xn5 s LEU 69 N 1.71 0.14 0.01 5.43 2.96 -0.34 -2.26 118.68 126.34 1xn5 s LEU 69 Ca -0.00 0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 54.44 1xn5 s LEU 69 Cb -0.13 0.77 -0.01 0.00 0.50 0.00 0.00 46.19 47.33 1xn5 s LEU 69 CO -0.03 -0.19 0.08 -0.55 -1.32 0.00 0.00 176.35 174.34 1xn5 s SER 70 N 1.65 0.12 -0.22 3.68 0.15 0.23 0.19 113.70 119.49 1xn5 s SER 70 Ca -0.06 -0.36 -0.20 0.00 0.70 0.00 0.00 55.95 56.03 1xn5 s SER 70 Cb -0.11 0.18 0.06 0.00 -1.71 0.00 0.00 66.02 64.44 1xn5 s SER 70 CO -0.09 -0.38 0.58 0.72 1.20 0.00 0.00 173.24 175.27 1xn5 s PHE 71 N -1.66 -0.65 0.38 3.44 -0.71 -1.17 -2.67 117.98 114.93 1xn5 s PHE 71 Ca -0.13 1.58 -0.14 0.00 -1.04 0.00 0.00 56.93 57.19 1xn5 s PHE 71 Cb -0.07 0.23 -0.08 0.00 -1.21 0.00 0.00 43.02 41.89 1xn5 s PHE 71 CO -0.00 -0.31 0.79 0.95 -1.34 0.00 0.00 175.22 175.30 1xn5 s THR 72 N 0.36 4.68 -0.13 -4.49 -4.23 -0.30 -3.79 115.64 107.75 1xn5 s THR 72 Ca -0.00 0.90 -0.06 0.00 -1.18 0.00 0.00 61.69 61.35 1xn5 s THR 72 Cb -0.04 -3.66 0.05 0.00 1.34 0.00 0.00 72.50 70.19 1xn5 s THR 72 CO 0.00 -0.36 0.29 0.86 -0.54 0.00 0.00 174.62 174.87 1xn5 s TRP 73 N -2.19 -0.42 0.52 3.99 -0.00 -1.24 -2.70 118.94 116.90 1xn5 s TRP 73 Ca 0.54 0.95 0.00 0.00 -0.00 0.00 0.00 56.10 57.59 1xn5 s TRP 73 Cb -0.10 0.10 0.00 0.00 -0.00 0.00 0.00 33.47 33.47 1xn5 s TRP 73 CO 0.23 -0.28 0.00 -0.25 -0.00 0.00 0.00 176.95 176.65 1xn5 n ASP 74 N 4.38 -6.57 -2.50 5.86 8.00 0.21 -4.30 116.55 121.63 1xn5 n ASP 74 Ca -0.23 1.21 -0.31 0.00 0.71 0.00 0.00 54.79 56.17 1xn5 n ASP 74 Cb 0.53 -4.14 0.03 0.00 -0.02 0.00 0.00 41.12 37.52 1xn5 n ASP 74 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1xn5 n THR 75 N -3.96 2.91 -0.01 -3.53 5.66 -1.26 -4.47 114.28 109.62 1xn5 n THR 75 Ca -0.08 -4.37 0.06 0.00 -3.05 0.00 0.00 64.05 56.62 1xn5 n THR 75 Cb 0.57 -1.22 -0.10 0.00 -1.55 0.00 0.00 70.33 68.03 1xn5 n THR 75 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1xn5 n ASP 76 N -0.60 2.07 0.00 1.09 5.68 -1.26 -4.99 116.55 118.55 1xn5 n ASP 76 Ca 0.47 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.76 1xn5 n ASP 76 Cb 0.60 1.58 0.00 0.00 -1.14 0.00 0.00 41.12 42.15 1xn5 n ASP 76 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xn5 n GLY 77 N 1.78 1.89 3.57 6.12 0.00 -1.26 -5.12 105.19 112.16 1xn5 n GLY 77 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 3.08 -0.08 1.61 0.52 -1.26 -4.64 118.94 116.17 1xn5 s TRP 78 Ca 0.00 -0.11 -0.10 0.00 0.02 0.00 0.00 56.10 55.91 1xn5 s TRP 78 Cb 0.00 -1.92 0.02 0.00 -1.15 0.00 0.00 33.47 30.43 1xn5 s TRP 78 CO 0.00 0.14 0.27 -1.54 0.02 0.00 0.00 176.95 175.84 1xn5 s SER 79 N -0.01 -0.25 0.01 2.95 1.04 -1.22 -3.61 113.70 112.62 1xn5 s SER 79 Ca 0.02 0.42 0.04 0.00 0.48 0.00 0.00 55.95 56.91 1xn5 s SER 79 Cb -0.13 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 1xn5 s SER 79 CO 0.02 -0.17 -0.11 0.54 0.98 0.00 0.00 173.24 174.50 1xn5 s VAL 80 N -0.21 0.87 -0.02 5.02 0.11 -1.25 -2.39 120.40 122.53 1xn5 s VAL 80 Ca -0.03 -0.70 0.05 0.00 -2.93 0.00 0.00 61.98 58.37 1xn5 s VAL 80 Cb -0.03 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 1xn5 s VAL 80 CO 0.01 0.08 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.78 1xn5 s THR 81 N -0.58 1.51 -0.11 5.04 2.01 0.16 -3.04 115.64 120.64 1xn5 s THR 81 Ca 0.01 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 1xn5 s THR 81 Cb -0.06 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 1xn5 s THR 81 CO 0.00 0.43 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.95 1xn5 s PHE 82 N -0.30 2.98 -0.18 4.92 0.08 0.49 -1.15 117.98 124.83 1xn5 s PHE 82 Ca 0.04 -0.14 0.00 0.00 0.12 0.00 0.00 56.93 56.95 1xn5 s PHE 82 Cb -0.09 -1.82 0.04 0.00 -0.57 0.00 0.00 43.02 40.58 1xn5 s PHE 82 CO 0.00 0.16 -0.10 -1.01 -0.10 0.00 0.00 175.22 174.18 1xn5 s HIS 83 N -0.29 2.15 0.30 0.36 3.76 -0.29 -1.20 115.29 120.07 1xn5 s HIS 83 Ca 0.04 -1.36 0.08 0.00 -0.15 0.00 0.00 55.06 53.67 1xn5 s HIS 83 Cb -0.13 -1.53 -0.03 0.00 1.11 0.00 0.00 32.58 32.00 1xn5 s HIS 83 CO 0.02 -0.69 0.22 -0.51 -0.85 0.00 0.00 174.74 172.93 1xn5 s LEU 84 N 1.49 3.62 -0.30 0.89 1.02 -1.24 -0.54 118.68 123.62 1xn5 s LEU 84 Ca 0.01 -0.44 -0.16 0.00 0.02 0.00 0.00 54.13 53.56 1xn5 s LEU 84 Cb -0.15 -2.18 0.18 0.00 0.02 0.00 0.00 46.19 44.05 1xn5 s LEU 84 CO -0.09 -0.19 1.12 -1.59 0.02 0.00 0.00 176.35 175.62 1xn5 s LYS 85 N -3.89 0.15 -0.03 1.70 -2.85 -0.51 -4.07 119.74 110.23 1xn5 s LYS 85 Ca 0.37 0.32 -0.30 0.00 -1.00 0.00 0.00 55.97 55.35 1xn5 s LYS 85 Cb -0.06 0.19 -0.05 0.00 -2.06 0.00 0.00 37.83 35.84 1xn5 s LYS 85 CO 0.25 -0.11 1.45 -2.00 0.10 0.00 0.00 175.35 175.04 1xn5 s GLU 86 N 2.63 4.25 0.00 1.78 -6.30 -1.26 -0.73 118.70 119.07 1xn5 s GLU 86 Ca -0.02 2.00 0.00 0.00 -2.50 0.00 0.00 54.97 54.45 1xn5 s GLU 86 Cb -0.07 -3.69 0.00 0.00 0.00 0.00 0.00 34.13 30.38 1xn5 s GLU 86 CO -0.13 -0.66 0.00 0.39 0.02 0.00 0.00 175.26 174.88 1xn5 n GLU 87 N 5.92 1.21 0.00 4.30 4.71 0.22 -4.91 120.64 132.08 1xn5 n GLU 87 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.29 1xn5 n GLU 87 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.86 1xn5 n GLU 87 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1xn5 n GLU 88 N -0.79 0.00 -2.69 3.49 -0.58 -1.26 -3.76 120.64 115.05 1xn5 n GLU 88 Ca 0.00 0.12 -0.29 0.00 -0.42 0.00 0.00 57.16 56.57 1xn5 n GLU 88 Cb 0.00 -0.63 -0.02 0.00 -0.57 0.00 0.00 31.44 30.23 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 -0.25 4.95 0.00 1.62 3.02 -1.26 -5.01 115.26 118.32 1xn5 n ASN 89 Ca 0.00 -3.71 0.00 0.00 -0.03 0.00 0.00 54.58 50.84 1xn5 n ASN 89 Cb 0.00 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 1xn5 n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xn5 n GLY 90 N -0.34 0.27 3.56 7.41 0.00 -1.25 -4.79 105.19 110.05 1xn5 n GLY 90 Ca 0.36 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 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 3.57 -0.21 2.61 2.01 -0.70 0.70 115.64 121.63 1xn5 s THR 91 Ca 0.00 -0.53 -0.06 0.00 0.31 0.00 0.00 61.69 61.41 1xn5 s THR 91 Cb 0.00 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 1xn5 s THR 91 CO 0.00 0.60 0.03 -0.63 -0.69 0.00 0.00 174.62 173.92 1xn5 s ILE 92 N -0.80 4.20 -0.10 1.82 -1.09 0.10 -2.30 121.20 123.03 1xn5 s ILE 92 Ca 0.12 -0.23 0.04 0.00 -2.23 0.00 0.00 60.65 58.35 1xn5 s ILE 92 Cb -0.11 -2.91 -0.00 0.00 -1.58 0.00 0.00 42.46 37.86 1xn5 s ILE 92 CO 0.01 0.41 -0.23 0.12 -1.23 0.00 0.00 174.94 174.03 1xn5 s PHE 93 N 1.00 2.59 -0.02 3.97 2.19 -0.86 -1.43 117.98 125.42 1xn5 s PHE 93 Ca 0.03 -0.98 0.06 0.00 0.33 0.00 0.00 56.93 56.36 1xn5 s PHE 93 Cb -0.14 -1.72 -0.01 0.00 -1.31 0.00 0.00 43.02 39.83 1xn5 s PHE 93 CO 0.02 -0.38 -0.18 0.99 1.83 0.00 0.00 175.22 177.49 1xn5 s THR 94 N 0.32 1.45 0.07 0.12 2.01 0.30 -1.02 115.64 118.89 1xn5 s THR 94 Ca -0.17 -0.78 0.08 0.00 0.31 0.00 0.00 61.69 61.12 1xn5 s THR 94 Cb -0.18 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 1xn5 s THR 94 CO 0.08 0.41 -0.16 -0.51 -0.69 0.00 0.00 174.62 173.75 1xn5 s ILE 95 N -0.40 2.92 -0.16 1.82 -1.16 -0.01 -1.14 121.20 123.08 1xn5 s ILE 95 Ca 0.06 -1.29 -0.04 0.00 -0.51 0.00 0.00 60.65 58.87 1xn5 s ILE 95 Cb -0.07 -2.29 0.08 0.00 0.61 0.00 0.00 42.46 40.78 1xn5 s ILE 95 CO -0.00 0.23 0.20 -0.69 -2.81 0.00 0.00 174.94 171.86 1xn5 s VAL 96 N -1.04 -0.30 -0.20 4.00 1.01 -0.30 -1.51 120.40 122.06 1xn5 s VAL 96 Ca 0.17 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1xn5 s VAL 96 Cb -0.11 -0.54 0.05 0.00 0.00 0.00 0.00 36.38 35.78 1xn5 s VAL 96 CO 0.08 -0.09 -0.09 -2.28 0.00 0.00 0.00 175.10 172.72 1xn5 s HIS 97 N 2.31 2.39 0.24 5.22 5.04 -1.16 0.39 115.29 129.73 1xn5 s HIS 97 Ca 0.05 -1.61 0.10 0.00 -1.54 0.00 0.00 55.06 52.06 1xn5 s HIS 97 Cb -0.14 -1.62 -0.04 0.00 0.04 0.00 0.00 32.58 30.82 1xn5 s HIS 97 CO -0.10 -0.74 -0.12 -1.12 -2.34 0.00 0.00 174.74 170.32 1xn5 s SER 98 N 1.40 4.04 0.00 9.88 0.01 -1.01 0.17 113.70 128.20 1xn5 s SER 98 Ca -0.02 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.47 1xn5 s SER 98 Cb -0.17 -0.57 0.00 0.00 0.21 0.00 0.00 66.02 65.49 1xn5 s SER 98 CO -0.08 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.24 1xn5 n GLY 99 N -0.43 -0.01 3.26 3.44 0.00 -1.26 -3.40 105.19 106.79 1xn5 n GLY 99 Ca -0.08 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.34 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 1.38 0.18 1.61 0.52 -1.26 -4.94 118.94 116.44 1xn5 s TRP 100 Ca 0.00 -1.32 0.01 0.00 0.02 0.00 0.00 56.10 54.81 1xn5 s TRP 100 Cb 0.00 -0.73 0.01 0.00 -1.15 0.00 0.00 33.47 31.60 1xn5 s TRP 100 CO 0.00 -0.53 0.08 1.63 0.02 0.00 0.00 176.95 178.16 1xn5 n LYS 101 N -0.40 1.36 -1.69 4.98 5.02 -1.26 -4.92 118.16 121.25 1xn5 n LYS 101 Ca 0.01 -1.23 -0.41 0.00 -2.02 0.00 0.00 58.31 54.66 1xn5 n LYS 101 Cb 0.66 0.22 0.01 0.00 -0.02 0.00 0.00 35.03 35.90 1xn5 n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xn5 n GLN 102 N -0.74 1.85 -1.55 1.97 10.64 -1.26 -2.81 117.38 125.48 1xn5 n GLN 102 Ca -0.03 0.66 -0.13 0.00 -1.83 0.00 0.00 57.00 55.66 1xn5 n GLN 102 Cb 0.22 -2.34 -0.10 0.00 -0.86 0.00 0.00 30.24 27.16 1xn5 n GLN 102 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1xn5 n GLY 103 N 0.86 -0.38 0.00 2.61 0.00 -1.26 -2.87 105.19 104.15 1xn5 n GLY 103 Ca 0.07 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 18.95 0.00 -3.96 1.61 9.92 -1.26 -4.99 116.55 136.82 1xn5 n ASP 104 Ca 0.41 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 54.30 1xn5 n ASP 104 Cb 0.46 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.94 1xn5 n ASP 104 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1xn5 n THR 105 N 0.00 0.18 -3.55 -3.53 -2.24 -1.14 -4.63 114.28 99.36 1xn5 n THR 105 Ca 0.00 -0.46 -0.21 0.00 -2.27 0.00 0.00 64.05 61.11 1xn5 n THR 105 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 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 -0.93 3.25 0.09 -0.78 2.20 -1.26 -3.48 119.74 118.82 1xn5 s LYS 106 Ca 0.54 -0.79 -0.08 0.00 -0.36 0.00 0.00 55.97 55.27 1xn5 s LYS 106 Cb -0.50 -2.79 -0.06 0.00 -1.51 0.00 0.00 37.83 32.97 1xn5 s LYS 106 CO 0.60 0.14 0.38 0.08 -0.36 0.00 0.00 175.35 176.20 1xn5 s VAL 107 N -2.18 5.13 -0.66 4.02 1.01 -1.25 -4.79 120.40 121.68 1xn5 s VAL 107 Ca 0.41 0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.74 1xn5 s VAL 107 Cb -0.09 -3.63 0.37 0.00 0.00 0.00 0.00 36.38 33.03 1xn5 s VAL 107 CO 0.32 0.24 1.44 -1.84 0.00 0.00 0.00 175.10 175.25 1xn5 n GLU 108 N 0.73 3.47 0.00 2.72 0.28 -1.26 -4.52 120.64 122.06 1xn5 n GLU 108 Ca -0.07 -4.32 0.00 0.00 -0.16 0.00 0.00 57.16 52.61 1xn5 n GLU 108 Cb 0.52 -2.28 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 -0.40 0.00 -0.27 3.44 4.81 -1.26 -4.99 118.16 119.49 1xn5 n LYS 109 Ca 0.43 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.79 1xn5 n LYS 109 Cb 0.44 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.42 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 0.68 -0.40 0.00 3.14 0.00 -2.01 -3.47 119.26 117.20 1xn5 h ALA 110 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xn5 h ALA 110 Cb 0.00 1.23 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1xn5 h ALA 110 CO 0.00 -0.68 0.00 0.41 0.00 0.00 0.00 179.25 178.98 1xn5 n GLY 111 N -1.18 3.50 0.00 0.00 0.00 -1.26 -5.13 105.19 101.11 1xn5 n GLY 111 Ca 0.01 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.09 -1.13 4.61 0.00 -1.26 -4.59 120.51 118.05 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 -0.09 0.01 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.06 0.00 -0.20 0.00 -0.58 -1.26 -3.88 120.64 113.65 1xn5 n GLU 113 Ca 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 1xn5 n GLU 113 Cb 0.00 -0.92 0.02 0.00 -0.57 0.00 0.00 31.44 29.98 1xn5 n GLU 113 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1xn5 h SER 114 N -0.08 0.81 0.09 1.62 0.87 -1.82 0.26 113.55 115.29 1xn5 h SER 114 Ca -0.38 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 59.98 1xn5 h SER 114 Cb 1.32 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1xn5 h SER 114 CO 0.37 0.78 -0.07 0.00 -0.53 0.00 0.00 176.83 177.38 1xn5 h ALA 115 N 1.07 1.76 -0.00 6.23 0.00 -1.88 0.93 119.26 127.36 1xn5 h ALA 115 Ca 0.19 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1xn5 h ALA 115 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1xn5 h ALA 115 CO -0.01 0.08 -0.13 0.28 0.00 0.00 0.00 179.25 179.48 1xn5 h VAL 116 N 0.00 1.58 -0.54 0.00 2.07 -1.60 -2.88 116.25 114.87 1xn5 h VAL 116 Ca -0.00 -1.87 -0.06 0.00 0.82 0.00 0.00 66.70 65.60 1xn5 h VAL 116 Cb 0.13 2.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 1xn5 h VAL 116 CO 0.01 0.50 0.12 0.58 0.02 0.00 0.00 177.57 178.79 1xn5 h VAL 117 N -0.62 1.25 -0.30 2.57 2.07 -0.37 -1.80 116.25 119.04 1xn5 h VAL 117 Ca -0.01 -0.90 0.07 0.00 0.82 0.00 0.00 66.70 66.67 1xn5 h VAL 117 Cb 0.88 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 31.37 1xn5 h VAL 117 CO 0.02 0.33 -0.31 -0.74 0.02 0.00 0.00 177.57 176.90 1xn5 h HIS 118 N 0.77 -0.85 -0.21 1.57 6.17 0.80 1.26 115.15 124.67 1xn5 h HIS 118 Ca 0.17 0.05 0.02 0.00 0.71 0.00 0.00 60.37 61.32 1xn5 h HIS 118 Cb 0.36 0.42 -0.02 0.00 2.52 0.00 0.00 27.41 30.69 1xn5 h HIS 118 CO 0.03 -0.37 0.06 0.93 0.71 0.00 0.00 177.93 179.28 1xn5 h GLU 119 N -0.29 0.14 0.60 5.26 5.08 -1.34 1.10 114.58 125.14 1xn5 h GLU 119 Ca 0.15 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1xn5 h GLU 119 Cb 0.53 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1xn5 h GLU 119 CO -0.46 0.09 -0.35 0.00 -1.00 0.00 0.00 179.01 177.29 1xn5 h ARG 120 N 0.15 -0.85 -0.98 2.33 3.08 -0.33 0.44 114.38 118.23 1xn5 h ARG 120 Ca 0.09 0.06 0.10 0.00 0.07 0.00 0.00 59.98 60.30 1xn5 h ARG 120 Cb 0.07 0.19 -0.08 0.00 0.08 0.00 0.00 29.97 30.24 1xn5 h ARG 120 CO -0.11 -0.56 0.61 0.52 -1.07 0.00 0.00 179.97 179.36 1xn5 h MET 121 N -0.88 0.99 -0.31 0.04 2.86 0.16 0.25 114.93 118.04 1xn5 h MET 121 Ca -0.08 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1xn5 h MET 121 Cb 0.70 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1xn5 h MET 121 CO 0.10 0.66 0.18 0.22 1.06 0.00 0.00 176.91 179.13 1xn5 h ASP 122 N 1.02 0.38 0.48 1.22 3.58 0.15 0.45 116.42 123.70 1xn5 h ASP 122 Ca 0.46 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.84 1xn5 h ASP 122 Cb 0.37 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.32 1xn5 h ASP 122 CO -0.23 0.33 -0.29 0.03 -2.88 0.00 0.00 179.24 176.19 1xn5 h ARG 123 N 0.40 -0.70 -0.85 0.28 3.08 0.11 0.72 114.38 117.42 1xn5 h ARG 123 Ca 0.11 0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.25 1xn5 h ARG 123 Cb 0.02 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 1xn5 h ARG 123 CO -0.02 -0.47 0.56 0.78 -1.07 0.00 0.00 179.97 179.75 1xn5 h GLY 124 N -0.73 1.21 0.98 0.04 0.00 -0.86 0.35 103.07 104.07 1xn5 h GLY 124 Ca -0.06 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 1xn5 h GLY 124 CO 0.06 0.33 -0.34 1.49 0.00 0.00 0.00 176.54 178.08 1xn5 h TRP 125 N 1.01 -0.88 0.19 5.60 4.06 0.33 1.22 115.95 127.47 1xn5 h TRP 125 Ca 0.35 -0.02 0.01 0.00 2.06 0.00 0.00 58.89 61.29 1xn5 h TRP 125 Cb 0.10 0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 28.53 1xn5 h TRP 125 CO -0.00 -0.54 -0.26 1.25 -3.56 0.00 0.00 178.44 175.33 1xn5 h HIS 126 N -0.93 -0.69 -1.00 0.49 2.76 -0.35 0.70 115.15 116.12 1xn5 h HIS 126 Ca -0.09 0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.22 1xn5 h HIS 126 Cb 0.72 0.28 -0.09 0.00 1.55 0.00 0.00 27.41 29.87 1xn5 h HIS 126 CO -0.04 -0.37 0.63 -0.44 -1.30 0.00 0.00 177.93 176.41 1xn5 h ASP 127 N -0.51 0.91 0.10 3.26 3.32 -0.20 0.57 116.42 123.88 1xn5 h ASP 127 Ca 0.01 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1xn5 h ASP 127 Cb 0.50 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1xn5 h ASP 127 CO -0.10 0.47 -0.05 0.25 -1.72 0.00 0.00 179.24 178.09 1xn5 h LEU 128 N 0.97 -0.12 -3.53 1.55 5.85 0.27 -2.66 115.31 117.64 1xn5 h LEU 128 Ca 0.50 -0.20 -0.40 0.00 0.84 0.00 0.00 57.88 58.62 1xn5 h LEU 128 Cb 0.53 0.03 -0.19 0.00 0.37 0.00 0.00 40.66 41.40 1xn5 h LEU 128 CO -0.27 0.13 0.52 0.55 -0.34 0.00 0.00 178.44 179.03 1xn5 n VAL 129 N -5.04 2.86 0.03 1.05 3.14 0.23 -0.90 118.33 119.70 1xn5 n VAL 129 Ca -0.08 -1.81 0.00 0.00 -2.96 0.00 0.00 64.34 59.49 1xn5 n VAL 129 Cb 0.17 -1.10 0.00 0.00 -1.06 0.00 0.00 33.84 31.85 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 -0.20 0.67 0.00 6.55 5.03 0.19 -4.69 115.26 122.81 1xn5 n ASN 130 Ca 0.40 0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.93 1xn5 n ASN 130 Cb 0.80 -0.20 0.00 0.00 -1.02 0.00 0.00 39.78 39.36 1xn5 n ASN 130 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1xn5 n GLU 131 N -3.30 0.00 -0.33 3.52 -0.00 -1.10 -4.42 120.64 115.00 1xn5 n GLU 131 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 57.16 57.34 1xn5 n GLU 131 Cb 0.20 -0.52 0.39 0.00 -0.00 0.00 0.00 31.44 31.51 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 0.46 0.01 3.44 2.47 -1.59 0.98 114.38 120.15 1xn5 h ARG 132 Ca 0.00 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1xn5 h ARG 132 Cb 0.63 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1xn5 h ARG 132 CO 0.00 0.30 -0.00 1.25 0.56 0.00 0.00 179.97 182.08 1xn5 h LEU 133 N 0.47 -0.01 -1.11 3.04 5.85 -1.30 -3.27 115.31 118.98 1xn5 h LEU 133 Ca 0.65 -0.83 0.20 0.00 0.84 0.00 0.00 57.88 58.74 1xn5 h LEU 133 Cb 1.32 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.25 1xn5 h LEU 133 CO -0.53 0.85 0.62 -0.09 -0.34 0.00 0.00 178.44 178.95 1xn5 h ARG 134 N -0.88 0.65 0.00 1.25 2.43 -1.27 1.10 114.38 117.67 1xn5 h ARG 134 Ca -0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1xn5 h ARG 134 Cb 0.84 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1xn5 h ARG 134 CO 0.00 0.43 0.01 1.96 -1.51 0.00 0.00 179.97 180.86 1xn5 h GLN 135 N 0.67 0.00 0.00 0.20 1.08 0.87 1.58 115.11 119.51 1xn5 h GLN 135 Ca 0.57 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.68 1xn5 h GLN 135 Cb 1.01 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.43 1xn5 h GLN 135 CO -0.35 0.00 -0.42 0.82 -0.95 0.00 0.00 178.83 177.93 1xn5 h ILE 136 N 0.00 0.84 0.00 2.54 1.08 0.12 -3.17 117.51 118.92 1xn5 h ILE 136 Ca 0.00 -1.82 0.00 0.00 -0.39 0.00 0.00 64.86 62.65 1xn5 h ILE 136 Cb 0.01 2.15 0.00 0.00 -3.07 0.00 0.00 36.82 35.91 1xn5 h ILE 136 CO 0.00 0.41 -0.60 1.33 -0.69 0.00 0.00 178.15 178.60 1xn5 n VAL 137 N -3.37 0.00 0.55 1.67 0.24 0.12 -5.06 118.33 112.49 1xn5 n VAL 137 Ca 0.01 -0.28 0.07 0.00 -2.04 0.00 0.00 64.34 62.09 1xn5 n VAL 137 Cb 0.61 0.86 0.05 0.00 -1.47 0.00 0.00 33.84 33.89 1xn5 n VAL 137 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07