#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 -0.16 -0.13 1.12 -1.04 -1.26 -4.80 114.28 108.01 1xn5 n THR 2 Ca 0.00 0.44 -0.07 0.00 -2.04 0.00 0.00 64.05 62.39 1xn5 n THR 2 Cb 0.00 -0.81 0.07 0.00 -1.82 0.00 0.00 70.33 67.76 1xn5 n THR 2 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1xn5 n ARG 3 N -3.80 -1.28 -1.65 -2.82 0.00 -1.26 -4.72 116.66 101.13 1xn5 n ARG 3 Ca -0.04 -0.32 -0.45 0.00 -0.00 0.00 0.00 57.85 57.04 1xn5 n ARG 3 Cb 0.61 -0.53 -0.04 0.00 -0.00 0.00 0.00 32.46 32.50 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 0.00 3.71 -4.76 2.89 4.77 -1.23 -4.80 117.00 117.58 1xn5 n LEU 4 Ca 0.03 0.83 -0.40 0.00 -0.03 0.00 0.00 56.01 56.44 1xn5 n LEU 4 Cb 0.13 -1.46 -0.04 0.00 -2.33 0.00 0.00 43.42 39.72 1xn5 n LEU 4 CO 0.09 -0.03 0.77 -2.16 -1.33 0.00 0.00 177.39 174.72 1xn5 s PRO 5 N 4.62 4.58 0.29 3.23 0.04 -1.26 -4.84 135.00 141.66 1xn5 s PRO 5 Ca 0.93 1.73 -0.25 0.00 0.04 0.00 0.00 61.00 63.44 1xn5 s PRO 5 Cb -0.54 -3.09 -0.16 0.00 0.04 0.00 0.00 34.50 30.75 1xn5 s PRO 5 CO 0.45 0.18 0.40 -0.25 0.04 0.00 0.00 177.00 177.83 1xn5 n ASP 6 N 1.00 -1.63 -3.65 6.66 8.00 -1.26 -4.67 116.55 121.00 1xn5 n ASP 6 Ca -0.00 1.01 -0.43 0.00 0.71 0.00 0.00 54.79 56.08 1xn5 n ASP 6 Cb 0.46 -0.96 -0.04 0.00 -0.02 0.00 0.00 41.12 40.56 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 -0.40 2.21 -2.91 0.53 5.41 -0.20 -4.85 119.36 119.15 1xn5 n ILE 7 Ca 0.15 -1.93 -0.42 0.00 1.00 0.00 0.00 62.75 61.55 1xn5 n ILE 7 Cb 0.32 -2.39 -0.04 0.00 -0.71 0.00 0.00 39.64 36.81 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 4.58 4.19 0.21 0.38 2.20 -1.26 -3.11 119.74 126.94 1xn5 s LYS 8 Ca 0.55 0.92 0.05 0.00 -0.36 0.00 0.00 55.97 57.13 1xn5 s LYS 8 Cb 0.14 -3.63 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 1xn5 s LYS 8 CO 0.07 -0.48 -0.06 0.15 -0.36 0.00 0.00 175.35 174.66 1xn5 s LYS 9 N 2.71 1.30 -0.05 4.03 3.01 0.78 -4.97 119.74 126.54 1xn5 s LYS 9 Ca 0.35 -1.62 -0.15 0.00 -1.01 0.00 0.00 55.97 53.54 1xn5 s LYS 9 Cb -0.15 -0.79 0.03 0.00 -1.01 0.00 0.00 37.83 35.90 1xn5 s LYS 9 CO 0.08 0.02 0.34 -2.00 0.51 0.00 0.00 175.35 174.30 1xn5 s GLU 10 N -3.77 0.61 0.04 1.68 -6.30 -1.26 0.37 118.70 110.08 1xn5 s GLU 10 Ca 0.24 0.01 -0.10 0.00 -2.50 0.00 0.00 54.97 52.63 1xn5 s GLU 10 Cb 0.03 0.28 0.01 0.00 0.00 0.00 0.00 34.13 34.45 1xn5 s GLU 10 CO 0.07 -0.15 0.21 0.14 0.02 0.00 0.00 175.26 175.55 1xn5 s VAL 11 N -0.90 0.11 -0.15 3.70 -7.23 0.28 -5.00 120.40 111.20 1xn5 s VAL 11 Ca -0.10 -0.88 -0.00 0.00 -1.81 0.00 0.00 61.98 59.20 1xn5 s VAL 11 Cb -0.04 -0.94 0.03 0.00 0.56 0.00 0.00 36.38 35.99 1xn5 s VAL 11 CO 0.03 -0.48 -0.08 -0.60 -0.31 0.00 0.00 175.10 173.66 1xn5 s ARG 12 N -2.65 1.72 0.12 4.82 3.52 -1.26 -1.42 118.95 123.80 1xn5 s ARG 12 Ca -0.04 -0.51 0.11 0.00 -0.13 0.00 0.00 55.73 55.16 1xn5 s ARG 12 Cb -0.01 -1.98 -0.04 0.00 -1.56 0.00 0.00 34.95 31.37 1xn5 s ARG 12 CO -0.04 -0.35 -0.26 -0.06 -0.81 0.00 0.00 175.30 173.78 1xn5 s PHE 13 N 1.59 2.34 -0.41 5.12 0.08 -1.11 -5.01 117.98 120.58 1xn5 s PHE 13 Ca 0.02 -0.37 -0.24 0.00 0.12 0.00 0.00 56.93 56.46 1xn5 s PHE 13 Cb -0.14 -1.28 0.02 0.00 -0.57 0.00 0.00 43.02 41.05 1xn5 s PHE 13 CO -0.09 0.32 0.86 1.21 -0.10 0.00 0.00 175.22 177.43 1xn5 s ASN 14 N -1.98 6.54 0.00 1.36 3.84 -1.26 -2.25 114.94 121.18 1xn5 s ASN 14 Ca 0.14 0.24 0.00 0.00 0.21 0.00 0.00 52.86 53.45 1xn5 s ASN 14 Cb -0.10 -2.43 0.00 0.00 -0.55 0.00 0.00 41.25 38.17 1xn5 s ASN 14 CO 0.06 -0.89 0.00 0.00 -2.79 0.00 0.00 177.10 173.48 1xn5 n ALA 15 N 6.79 0.00 -2.45 1.71 0.00 -1.26 -4.83 120.51 120.47 1xn5 n ALA 15 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 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 4.45 0.56 0.00 0.04 -1.26 -3.67 135.00 133.12 1xn5 s PRO 16 Ca 0.00 1.72 0.27 0.00 0.04 0.00 0.00 61.00 63.03 1xn5 s PRO 16 Cb 0.00 -3.36 1.50 0.00 0.04 0.00 0.00 34.50 32.68 1xn5 s PRO 16 CO 0.00 -0.22 2.02 0.97 0.04 0.00 0.00 177.00 179.81 1xn5 h ILE 17 N 4.52 0.59 0.00 0.56 2.10 -1.97 0.61 117.51 123.91 1xn5 h ILE 17 Ca -0.42 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.50 1xn5 h ILE 17 Cb 1.21 0.77 -0.00 0.00 -1.09 0.00 0.00 36.82 37.71 1xn5 h ILE 17 CO 0.80 0.00 -0.09 -0.08 -1.08 0.00 0.00 178.15 177.70 1xn5 h GLU 18 N 0.00 0.00 0.00 2.19 4.81 -1.98 0.82 114.58 120.42 1xn5 h GLU 18 Ca 0.17 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.27 1xn5 h GLU 18 Cb 0.80 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1xn5 h GLU 18 CO -0.00 0.09 -0.81 -0.22 -0.73 0.00 0.00 179.01 177.34 1xn5 h LYS 19 N 0.00 0.00 -0.51 1.92 3.64 -0.18 -3.09 116.57 118.34 1xn5 h LYS 19 Ca -0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1xn5 h LYS 19 Cb 0.25 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1xn5 h LYS 19 CO 0.01 0.68 0.34 0.28 -2.27 0.00 0.00 179.45 178.49 1xn5 h VAL 20 N -1.00 1.07 0.05 2.00 2.07 -1.23 0.18 116.25 119.38 1xn5 h VAL 20 Ca -0.19 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1xn5 h VAL 20 Cb 0.97 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1xn5 h VAL 20 CO -0.12 0.11 -0.02 -0.25 0.02 0.00 0.00 177.57 177.31 1xn5 h TRP 21 N 0.60 -0.06 0.00 1.57 -0.00 0.52 -1.53 115.95 117.04 1xn5 h TRP 21 Ca 0.20 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 59.07 1xn5 h TRP 21 Cb 0.08 0.02 -0.00 0.00 -0.00 0.00 0.00 29.16 29.26 1xn5 h TRP 21 CO -0.00 0.12 -0.09 1.49 -0.00 0.00 0.00 178.44 179.96 1xn5 h GLU 22 N -0.23 0.00 0.00 2.65 4.81 -1.18 0.15 114.58 120.78 1xn5 h GLU 22 Ca -0.01 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1xn5 h GLU 22 Cb 0.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1xn5 h GLU 22 CO 0.01 0.09 -0.25 0.00 -0.73 0.00 0.00 179.01 178.13 1xn5 h ALA 23 N 1.91 1.12 -0.40 2.92 0.00 -0.03 0.86 119.26 125.63 1xn5 h ALA 23 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1xn5 h ALA 23 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xn5 h ALA 23 CO 0.01 0.31 0.00 1.33 0.00 0.00 0.00 179.25 180.90 1xn5 n VAL 24 N -3.56 1.42 -0.03 0.00 0.24 0.15 -2.50 118.33 114.05 1xn5 n VAL 24 Ca -0.01 -1.23 -0.04 0.00 -2.04 0.00 0.00 64.34 61.02 1xn5 n VAL 24 Cb 0.39 0.27 -0.04 0.00 -1.47 0.00 0.00 33.84 33.00 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 0.45 3.54 -4.96 -1.34 3.41 0.29 -4.85 113.62 110.15 1xn5 n SER 25 Ca 0.17 -0.02 -0.22 0.00 -0.26 0.00 0.00 58.87 58.54 1xn5 n SER 25 Cb 0.62 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 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 -2.14 4.24 -0.15 6.66 -4.23 0.22 -1.77 115.64 118.48 1xn5 s THR 26 Ca -0.06 -0.63 -0.25 0.00 -1.18 0.00 0.00 61.69 59.57 1xn5 s THR 26 Cb 0.02 -3.54 -0.22 0.00 1.34 0.00 0.00 72.50 70.10 1xn5 s THR 26 CO 0.20 -0.33 0.56 0.28 -0.54 0.00 0.00 174.62 174.79 1xn5 h SER 27 N 0.60 0.00 -0.91 3.99 0.02 -1.86 -2.62 113.55 112.77 1xn5 h SER 27 Ca -0.47 -0.79 0.15 0.00 -0.84 0.00 0.00 61.79 59.84 1xn5 h SER 27 Cb 1.25 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.69 1xn5 h SER 27 CO 0.57 1.07 0.52 -0.08 -1.14 0.00 0.00 176.83 177.76 1xn5 h GLU 28 N -1.00 0.72 -0.15 3.45 4.22 -1.90 1.47 114.58 121.38 1xn5 h GLU 28 Ca -0.08 -0.04 -0.15 0.00 0.08 0.00 0.00 59.36 59.17 1xn5 h GLU 28 Cb 0.98 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1xn5 h GLU 28 CO -0.05 0.48 -0.54 0.78 -2.18 0.00 0.00 179.01 177.49 1xn5 h GLY 29 N 0.74 0.50 0.30 1.92 0.00 -1.81 -2.09 103.07 102.63 1xn5 h GLY 29 Ca 0.49 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1xn5 h GLY 29 CO -0.34 0.52 -0.13 1.41 0.00 0.00 0.00 176.54 178.00 1xn5 h LEU 30 N 0.35 -0.30 -1.78 3.11 3.38 -0.46 -3.11 115.31 116.50 1xn5 h LEU 30 Ca 0.01 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1xn5 h LEU 30 Cb 1.07 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1xn5 h LEU 30 CO 0.10 0.18 0.45 0.00 0.09 0.00 0.00 178.44 179.25 1xn5 h ALA 31 N -0.95 1.63 0.00 1.53 0.00 0.20 1.83 119.26 123.50 1xn5 h ALA 31 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xn5 h ALA 31 Cb 0.35 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xn5 h ALA 31 CO 0.06 -0.52 0.00 0.35 0.00 0.00 0.00 179.25 179.14 1xn5 h PHE 32 N 0.00 0.00 0.00 0.00 3.04 -1.30 -3.34 116.94 115.34 1xn5 h PHE 32 Ca 0.06 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1xn5 h PHE 32 Cb 0.96 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.47 1xn5 h PHE 32 CO 0.00 0.00 -0.03 -2.67 -2.02 0.00 0.00 178.31 173.59 1xn5 n TRP 33 N -2.85 -0.09 0.00 0.41 4.27 0.26 -4.97 117.44 114.46 1xn5 n TRP 33 Ca -0.02 0.02 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 1xn5 n TRP 33 Cb 0.10 0.49 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 -2.55 0.00 -3.60 -2.67 7.35 0.55 -4.99 117.46 111.56 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 -0.10 0.30 0.25 -4.13 -1.94 -1.23 -4.86 119.30 107.59 1xn5 s MET 35 Ca 0.00 -0.11 -0.30 0.00 -1.71 0.00 0.00 55.69 53.56 1xn5 s MET 35 Cb 0.00 0.13 -0.14 0.00 2.01 0.00 0.00 34.83 36.84 1xn5 s MET 35 CO 0.00 -0.13 1.22 0.39 -0.01 0.00 0.00 175.02 176.49 1xn5 n GLU 36 N -0.11 1.67 -2.79 2.03 1.02 -1.26 -3.00 120.64 118.19 1xn5 n GLU 36 Ca 0.00 0.59 -0.04 0.00 -0.02 0.00 0.00 57.16 57.70 1xn5 n GLU 36 Cb 0.58 -2.12 0.02 0.00 -0.02 0.00 0.00 31.44 29.90 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 1.64 -1.23 -0.12 1.62 0.23 -1.26 -2.71 115.26 113.42 1xn5 n ASN 37 Ca 0.11 -1.76 0.03 0.00 -0.53 0.00 0.00 54.58 52.42 1xn5 n ASN 37 Cb 0.31 2.02 0.04 0.00 -2.08 0.00 0.00 39.78 40.07 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 -1.17 1.23 -4.54 0.53 9.92 -1.22 -4.77 116.55 116.53 1xn5 n ASP 38 Ca -0.03 -2.07 -0.37 0.00 -0.53 0.00 0.00 54.79 51.78 1xn5 n ASP 38 Cb 0.36 -0.16 0.06 0.00 -0.64 0.00 0.00 41.12 40.73 1xn5 n ASP 38 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1xn5 n LEU 39 N -0.54 2.16 -1.27 0.64 0.00 -1.26 -4.87 117.00 111.86 1xn5 n LEU 39 Ca 0.04 0.72 0.00 0.00 0.00 0.00 0.00 56.01 56.77 1xn5 n LEU 39 Cb 0.51 -1.29 -0.01 0.00 0.00 0.00 0.00 43.42 42.63 1xn5 n LEU 39 CO 0.00 -2.54 0.16 1.17 0.00 0.00 0.00 177.39 176.19 1xn5 n LYS 40 N -0.77 0.00 -3.62 1.96 4.81 -1.23 -3.32 118.16 115.99 1xn5 n LYS 40 Ca 0.12 -1.59 -0.23 0.00 -0.87 0.00 0.00 58.31 55.74 1xn5 n LYS 40 Cb 0.48 0.12 0.01 0.00 0.02 0.00 0.00 35.03 35.67 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 0.31 -2.65 -3.70 3.14 0.00 -0.73 -4.93 120.51 111.95 1xn5 n ALA 41 Ca -0.05 -0.23 -0.12 0.00 0.00 0.00 0.00 53.44 53.04 1xn5 n ALA 41 Cb 0.97 -2.07 -0.13 0.00 0.00 0.00 0.00 19.45 18.23 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 -5.03 0.21 0.36 0.00 2.12 -1.26 -4.95 118.70 110.16 1xn5 s GLU 42 Ca 0.18 0.65 -0.27 0.00 0.36 0.00 0.00 54.97 55.90 1xn5 s GLU 42 Cb -0.07 -0.06 -0.09 0.00 0.26 0.00 0.00 34.13 34.16 1xn5 s GLU 42 CO 0.86 -0.20 1.17 -0.08 -0.54 0.00 0.00 175.26 176.47 1xn5 s THR 43 N 1.70 3.18 -1.25 -1.70 -1.32 -1.26 -2.76 115.64 112.23 1xn5 s THR 43 Ca -0.06 1.06 0.00 0.00 -1.21 0.00 0.00 61.69 61.48 1xn5 s THR 43 Cb -0.11 -3.62 0.00 0.00 -1.51 0.00 0.00 72.50 67.26 1xn5 s THR 43 CO -0.09 0.15 0.00 0.61 -2.21 0.00 0.00 174.62 173.08 1xn5 n GLY 44 N 0.76 0.91 3.92 6.08 0.00 -1.07 -5.00 105.19 110.79 1xn5 n GLY 44 Ca 0.03 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.51 2.96 -0.19 1.61 2.46 -1.11 -4.95 115.29 113.56 1xn5 s HIS 45 Ca 0.00 0.56 -0.02 0.00 0.47 0.00 0.00 55.06 56.07 1xn5 s HIS 45 Cb 0.00 -3.25 0.06 0.00 -0.13 0.00 0.00 32.58 29.26 1xn5 s HIS 45 CO 0.00 -1.47 0.01 -3.38 -2.47 0.00 0.00 174.74 167.43 1xn5 s HIS 46 N -3.33 1.29 0.00 3.88 -3.43 -1.26 -3.81 115.29 108.63 1xn5 s HIS 46 Ca 0.60 -0.97 -0.04 0.00 -0.80 0.00 0.00 55.06 53.85 1xn5 s HIS 46 Cb -0.11 -1.13 -0.01 0.00 -1.43 0.00 0.00 32.58 29.91 1xn5 s HIS 46 CO 0.46 -0.61 0.07 -0.59 -2.00 0.00 0.00 174.74 172.06 1xn5 s PHE 47 N 1.77 0.10 0.45 0.38 -0.71 -1.04 -4.99 117.98 113.93 1xn5 s PHE 47 Ca -0.01 -0.21 0.08 0.00 -1.04 0.00 0.00 56.93 55.74 1xn5 s PHE 47 Cb -0.17 -0.09 0.02 0.00 -1.21 0.00 0.00 43.02 41.58 1xn5 s PHE 47 CO -0.07 -0.21 0.61 -1.01 -1.34 0.00 0.00 175.22 173.20 1xn5 s HIS 48 N -1.16 2.68 -0.04 3.49 3.76 -1.26 -0.75 115.29 122.02 1xn5 s HIS 48 Ca -0.13 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.41 1xn5 s HIS 48 Cb -0.07 -2.40 0.01 0.00 1.11 0.00 0.00 32.58 31.23 1xn5 s HIS 48 CO 0.00 -0.53 -0.08 -1.17 -0.85 0.00 0.00 174.74 172.11 1xn5 s LEU 49 N -4.42 1.60 -1.06 0.89 2.96 -0.16 -3.44 118.68 115.06 1xn5 s LEU 49 Ca 0.56 -0.19 -0.05 0.00 -0.22 0.00 0.00 54.13 54.23 1xn5 s LEU 49 Cb -0.10 -0.56 0.29 0.00 0.50 0.00 0.00 46.19 46.32 1xn5 s LEU 49 CO 0.34 0.02 1.24 0.00 -1.32 0.00 0.00 176.35 176.63 1xn5 n GLN 50 N 3.65 3.85 -1.88 1.98 1.13 -1.10 -2.06 117.38 122.94 1xn5 n GLN 50 Ca -0.22 -4.52 -0.30 0.00 -1.94 0.00 0.00 57.00 50.02 1xn5 n GLN 50 Cb 0.53 -2.50 0.04 0.00 0.11 0.00 0.00 30.24 28.41 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 -0.48 5.62 0.38 1.08 1.04 -1.26 -4.48 113.70 115.60 1xn5 s SER 51 Ca 0.31 1.19 0.27 0.00 0.48 0.00 0.00 55.95 58.20 1xn5 s SER 51 Cb -0.01 -2.05 0.88 0.00 0.10 0.00 0.00 66.02 64.94 1xn5 s SER 51 CO 0.01 -1.23 1.78 1.55 0.98 0.00 0.00 173.24 176.32 1xn5 h PRO 52 N -0.58 0.00 -2.07 4.02 0.13 -2.01 -3.27 132.00 128.22 1xn5 h PRO 52 Ca -0.45 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.98 1xn5 h PRO 52 Cb 1.24 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.03 1xn5 h PRO 52 CO 0.63 0.00 0.24 0.34 -0.23 0.00 0.00 178.00 178.99 1xn5 n PHE 53 N -2.72 3.30 -0.04 1.56 -0.00 -1.26 -5.00 117.46 113.30 1xn5 n PHE 53 Ca 0.03 -3.02 0.00 0.00 -0.00 0.00 0.00 57.45 54.46 1xn5 n PHE 53 Cb 0.38 -0.79 0.00 0.00 -0.00 0.00 0.00 39.48 39.07 1xn5 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xn5 n GLY 54 N -0.29 -2.97 3.77 7.13 0.00 -1.23 -4.96 105.19 106.64 1xn5 n GLY 54 Ca 0.42 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 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 -5.52 4.35 0.01 1.61 0.04 -1.26 -4.09 135.00 130.14 1xn5 s PRO 55 Ca 0.00 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1xn5 s PRO 55 Cb 0.00 -2.80 -0.01 0.00 0.04 0.00 0.00 34.50 31.73 1xn5 s PRO 55 CO 0.00 0.00 -0.02 -1.12 0.04 0.00 0.00 177.00 175.90 1xn5 s SER 56 N -1.30 0.21 0.54 6.66 0.01 -0.88 -4.98 113.70 113.95 1xn5 s SER 56 Ca 0.53 -0.28 -0.18 0.00 1.31 0.00 0.00 55.95 57.32 1xn5 s SER 56 Cb -0.26 0.05 -0.06 0.00 0.21 0.00 0.00 66.02 65.96 1xn5 s SER 56 CO 0.33 -0.15 1.04 -2.16 0.41 0.00 0.00 173.24 172.71 1xn5 s PRO 57 N -0.81 3.60 0.03 12.44 0.04 -1.26 -0.99 135.00 148.05 1xn5 s PRO 57 Ca -0.08 1.26 -0.01 0.00 0.04 0.00 0.00 61.00 62.21 1xn5 s PRO 57 Cb -0.06 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 1xn5 s PRO 57 CO -0.00 -0.59 -0.02 0.00 0.04 0.00 0.00 177.00 176.43 1xn5 s GLN 59 N -2.47 0.38 0.29 0.00 0.74 -1.20 -2.51 119.66 114.89 1xn5 s GLN 59 Ca -0.07 0.71 -0.29 0.00 0.05 0.00 0.00 55.36 55.77 1xn5 s GLN 59 Cb -0.03 0.00 -0.10 0.00 1.10 0.00 0.00 33.01 33.99 1xn5 s GLN 59 CO -0.05 -0.14 1.12 0.08 -0.55 0.00 0.00 175.29 175.76 1xn5 s VAL 60 N 1.18 3.39 -0.12 1.34 1.01 -1.25 -1.46 120.40 124.50 1xn5 s VAL 60 Ca -0.08 1.41 0.08 0.00 0.00 0.00 0.00 61.98 63.38 1xn5 s VAL 60 Cb -0.08 -3.89 -0.13 0.00 0.00 0.00 0.00 36.38 32.28 1xn5 s VAL 60 CO -0.10 0.34 -0.00 0.35 0.00 0.00 0.00 175.10 175.68 1xn5 n THR 61 N 1.14 0.77 -3.67 3.92 -2.24 -1.10 -2.59 114.28 110.51 1xn5 n THR 61 Ca -0.01 -0.43 -0.10 0.00 -2.27 0.00 0.00 64.05 61.24 1xn5 n THR 61 Cb 0.44 -0.78 -0.09 0.00 -2.10 0.00 0.00 70.33 67.81 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 -4.60 -0.70 -0.30 3.42 1.11 -1.22 -4.75 116.67 109.64 1xn5 s ASP 62 Ca -0.09 1.18 -0.04 0.00 0.18 0.00 0.00 52.55 53.79 1xn5 s ASP 62 Cb 0.04 1.09 0.19 0.00 1.07 0.00 0.00 42.92 45.30 1xn5 s ASP 62 CO 0.42 -0.21 0.71 0.54 1.18 0.00 0.00 175.17 177.81 1xn5 s VAL 63 N 1.26 -0.83 -0.28 -1.27 0.11 -1.26 -0.05 120.40 118.08 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 -0.06 -0.99 0.16 0.00 -1.53 0.00 0.00 36.38 33.96 1xn5 s VAL 63 CO -0.13 0.00 0.47 -0.70 -3.33 0.00 0.00 175.10 171.41 1xn5 s GLU 64 N 2.88 0.45 0.40 1.54 2.56 -1.01 -4.46 118.70 121.05 1xn5 s GLU 64 Ca 0.15 0.49 0.00 0.00 0.00 0.00 0.00 54.97 55.61 1xn5 s GLU 64 Cb -0.13 -0.10 0.00 0.00 2.00 0.00 0.00 34.13 35.89 1xn5 s GLU 64 CO -0.19 -0.84 0.00 0.54 -0.56 0.00 0.00 175.26 174.21 1xn5 n ARG 65 N 5.38 -2.59 -1.42 4.30 3.00 -1.26 -3.84 116.66 120.24 1xn5 n ARG 65 Ca -0.00 1.93 -0.43 0.00 -0.01 0.00 0.00 57.85 59.34 1xn5 n ARG 65 Cb 0.51 -3.18 -0.03 0.00 0.00 0.00 0.00 32.46 29.76 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 -3.90 2.15 0.00 5.56 -0.04 -1.26 -3.45 135.00 134.06 1xn5 n PRO 66 Ca -0.03 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.23 1xn5 n PRO 66 Cb 0.65 -3.09 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 5.55 0.00 -4.08 0.52 -6.64 -1.25 -4.01 119.36 109.45 1xn5 n ILE 67 Ca 0.51 0.00 -0.18 0.00 -1.77 0.00 0.00 62.75 61.31 1xn5 n ILE 67 Cb 0.39 -0.23 -0.16 0.00 -1.44 0.00 0.00 39.64 38.21 1xn5 n ILE 67 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 1xn5 s LYS 68 N -1.67 0.55 -0.22 6.28 2.47 -1.22 -3.71 119.74 122.22 1xn5 s LYS 68 Ca 0.00 -0.05 -0.11 0.00 -1.56 0.00 0.00 55.97 54.25 1xn5 s LYS 68 Cb 0.00 -0.62 0.08 0.00 -1.46 0.00 0.00 37.83 35.83 1xn5 s LYS 68 CO 0.00 -0.06 0.53 -1.17 0.16 0.00 0.00 175.35 174.80 1xn5 s LEU 69 N 0.75 -0.56 -0.00 5.43 2.96 -0.93 -2.42 118.68 123.91 1xn5 s LEU 69 Ca -0.09 1.18 -0.10 0.00 -0.22 0.00 0.00 54.13 54.90 1xn5 s LEU 69 Cb -0.12 1.78 0.01 0.00 0.50 0.00 0.00 46.19 48.36 1xn5 s LEU 69 CO -0.01 -0.22 0.21 -0.55 -1.32 0.00 0.00 176.35 174.46 1xn5 s SER 70 N 1.82 -0.06 -0.21 3.68 0.15 0.93 0.19 113.70 120.21 1xn5 s SER 70 Ca -0.08 -0.11 -0.18 0.00 0.70 0.00 0.00 55.95 56.28 1xn5 s SER 70 Cb -0.08 0.25 0.05 0.00 -1.71 0.00 0.00 66.02 64.53 1xn5 s SER 70 CO -0.16 -0.41 0.54 0.72 1.20 0.00 0.00 173.24 175.13 1xn5 s PHE 71 N -1.43 -0.62 0.36 3.44 -0.71 -1.18 -2.70 117.98 115.15 1xn5 s PHE 71 Ca -0.14 1.48 -0.09 0.00 -1.04 0.00 0.00 56.93 57.14 1xn5 s PHE 71 Cb -0.06 0.23 -0.06 0.00 -1.21 0.00 0.00 43.02 41.91 1xn5 s PHE 71 CO 0.02 -0.30 0.70 0.95 -1.34 0.00 0.00 175.22 175.25 1xn5 s THR 72 N 0.42 4.84 -0.11 -4.49 -4.23 -0.54 -3.80 115.64 107.73 1xn5 s THR 72 Ca -0.01 0.49 -0.07 0.00 -1.18 0.00 0.00 61.69 60.93 1xn5 s THR 72 Cb -0.04 -3.72 0.04 0.00 1.34 0.00 0.00 72.50 70.13 1xn5 s THR 72 CO -0.01 -0.43 0.27 0.86 -0.54 0.00 0.00 174.62 174.78 1xn5 s TRP 73 N -2.25 -0.36 0.43 3.99 -0.00 -1.25 -3.25 118.94 116.26 1xn5 s TRP 73 Ca 0.49 0.85 0.00 0.00 -0.00 0.00 0.00 56.10 57.44 1xn5 s TRP 73 Cb -0.10 0.09 0.00 0.00 -0.00 0.00 0.00 33.47 33.46 1xn5 s TRP 73 CO 0.29 -0.23 0.00 -0.25 -0.00 0.00 0.00 176.95 176.76 1xn5 n ASP 74 N 4.00 -7.44 -2.17 5.86 9.92 -1.18 -4.47 116.55 121.07 1xn5 n ASP 74 Ca -0.23 0.93 -0.25 0.00 -0.53 0.00 0.00 54.79 54.71 1xn5 n ASP 74 Cb 0.54 -4.07 0.01 0.00 -0.64 0.00 0.00 41.12 36.97 1xn5 n ASP 74 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1xn5 n THR 75 N -4.07 2.49 -0.09 -3.53 -2.24 -1.26 -4.72 114.28 100.85 1xn5 n THR 75 Ca -0.04 -4.44 -0.15 0.00 -2.27 0.00 0.00 64.05 57.15 1xn5 n THR 75 Cb 0.58 -1.18 -0.05 0.00 -2.10 0.00 0.00 70.33 67.58 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 -0.64 1.82 0.00 3.42 2.03 -1.26 -5.03 116.55 116.88 1xn5 n ASP 76 Ca 0.43 0.31 0.00 0.00 0.52 0.00 0.00 54.79 56.04 1xn5 n ASP 76 Cb 0.87 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 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 1.59 0.00 2.90 0.27 0.00 -1.26 -5.14 105.19 103.55 1xn5 n GLY 77 Ca -0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 1.92 -0.09 1.61 0.51 -1.26 -4.38 118.94 117.25 1xn5 s TRP 78 Ca 0.00 -1.31 0.01 0.00 -2.12 0.00 0.00 56.10 52.68 1xn5 s TRP 78 Cb 0.00 -1.40 0.02 0.00 -0.81 0.00 0.00 33.47 31.27 1xn5 s TRP 78 CO 0.00 -0.68 -0.13 -1.12 -0.51 0.00 0.00 176.95 174.52 1xn5 s SER 79 N 1.56 2.13 -0.02 2.95 0.01 -1.19 -3.86 113.70 115.28 1xn5 s SER 79 Ca -0.01 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 56.91 1xn5 s SER 79 Cb -0.17 -0.94 -0.03 0.00 0.21 0.00 0.00 66.02 65.09 1xn5 s SER 79 CO -0.07 -0.00 -0.05 0.54 0.41 0.00 0.00 173.24 174.07 1xn5 s VAL 80 N 1.01 3.83 -0.03 3.43 0.11 -1.25 -2.12 120.40 125.38 1xn5 s VAL 80 Ca -0.07 -0.62 0.05 0.00 -2.93 0.00 0.00 61.98 58.41 1xn5 s VAL 80 Cb -0.15 -2.65 -0.01 0.00 -1.53 0.00 0.00 36.38 32.05 1xn5 s VAL 80 CO -0.01 0.46 -0.17 -0.89 -3.33 0.00 0.00 175.10 171.16 1xn5 s THR 81 N -0.96 1.37 0.13 5.04 2.01 0.48 -3.08 115.64 120.63 1xn5 s THR 81 Ca 0.16 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.50 1xn5 s THR 81 Cb -0.11 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 1xn5 s THR 81 CO 0.06 0.39 0.09 -0.36 -0.69 0.00 0.00 174.62 174.11 1xn5 s PHE 82 N -0.16 3.11 -0.12 4.92 0.08 0.50 -0.47 117.98 125.84 1xn5 s PHE 82 Ca 0.01 -0.00 -0.05 0.00 0.12 0.00 0.00 56.93 57.01 1xn5 s PHE 82 Cb -0.09 -1.53 0.06 0.00 -0.57 0.00 0.00 43.02 40.89 1xn5 s PHE 82 CO 0.01 0.52 0.25 -1.01 -0.10 0.00 0.00 175.22 174.88 1xn5 s HIS 83 N -1.59 -0.39 0.28 0.36 3.76 0.05 -2.19 115.29 115.56 1xn5 s HIS 83 Ca 0.30 0.91 0.10 0.00 -0.15 0.00 0.00 55.06 56.22 1xn5 s HIS 83 Cb -0.11 -0.04 -0.05 0.00 1.11 0.00 0.00 32.58 33.50 1xn5 s HIS 83 CO 0.22 -0.33 -0.03 -0.51 -0.85 0.00 0.00 174.74 173.24 1xn5 s LEU 84 N 2.21 3.08 -0.30 0.89 1.02 -1.24 -0.08 118.68 124.26 1xn5 s LEU 84 Ca -0.00 -0.75 -0.17 0.00 0.02 0.00 0.00 54.13 53.22 1xn5 s LEU 84 Cb -0.12 -1.58 0.18 0.00 0.02 0.00 0.00 46.19 44.70 1xn5 s LEU 84 CO -0.08 -0.03 1.16 -1.59 0.02 0.00 0.00 176.35 175.83 1xn5 s LYS 85 N -3.66 0.13 0.24 1.70 0.00 -0.78 -4.05 119.74 113.31 1xn5 s LYS 85 Ca 0.32 0.30 -0.30 0.00 0.00 0.00 0.00 55.97 56.29 1xn5 s LYS 85 Cb -0.05 0.18 -0.10 0.00 0.00 0.00 0.00 37.83 37.86 1xn5 s LYS 85 CO 0.19 -0.07 1.40 -2.00 0.00 0.00 0.00 175.35 174.87 1xn5 s GLU 86 N 2.40 4.31 0.14 1.78 -6.30 -1.26 -0.64 118.70 119.14 1xn5 s GLU 86 Ca -0.02 2.23 0.02 0.00 -2.50 0.00 0.00 54.97 54.70 1xn5 s GLU 86 Cb -0.05 -3.13 0.02 0.00 0.00 0.00 0.00 34.13 30.97 1xn5 s GLU 86 CO -0.15 -0.37 0.14 -1.91 0.02 0.00 0.00 175.26 172.99 1xn5 n GLU 87 N 2.39 1.16 0.00 4.30 0.00 0.49 -4.87 120.64 124.12 1xn5 n GLU 87 Ca 0.06 -0.87 0.00 0.00 0.00 0.00 0.00 57.16 56.36 1xn5 n GLU 87 Cb 0.41 0.05 0.00 0.00 0.00 0.00 0.00 31.44 31.90 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 -0.99 0.00 -2.68 5.31 1.02 -1.26 -3.59 120.64 118.45 1xn5 n GLU 88 Ca 0.01 0.73 -0.20 0.00 -0.02 0.00 0.00 57.16 57.68 1xn5 n GLU 88 Cb 0.16 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 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 -1.97 3.21 0.00 1.62 5.15 -1.26 -5.06 115.26 116.96 1xn5 n ASN 89 Ca 0.00 -3.32 0.00 0.00 -0.60 0.00 0.00 54.58 50.66 1xn5 n ASN 89 Cb 0.00 -0.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.74 1xn5 n ASN 89 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xn5 n GLY 90 N -0.23 -0.00 3.58 8.20 0.00 -1.24 -4.73 105.19 110.77 1xn5 n GLY 90 Ca 0.27 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 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 3.65 -0.12 2.61 2.01 -0.96 0.19 115.64 121.02 1xn5 s THR 91 Ca 0.00 -0.55 -0.04 0.00 0.31 0.00 0.00 61.69 61.41 1xn5 s THR 91 Cb 0.00 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 1xn5 s THR 91 CO 0.00 0.56 0.03 -0.63 -0.69 0.00 0.00 174.62 173.89 1xn5 s ILE 92 N -0.84 4.57 -0.11 1.82 -1.09 0.19 -2.73 121.20 123.01 1xn5 s ILE 92 Ca 0.13 -0.14 -0.01 0.00 -2.23 0.00 0.00 60.65 58.41 1xn5 s ILE 92 Cb -0.11 -2.97 0.03 0.00 -1.58 0.00 0.00 42.46 37.82 1xn5 s ILE 92 CO 0.02 0.56 -0.07 0.12 -1.23 0.00 0.00 174.94 174.35 1xn5 s PHE 93 N -0.49 1.42 -0.17 3.97 2.19 -0.51 -1.87 117.98 122.51 1xn5 s PHE 93 Ca 0.09 -0.71 0.01 0.00 0.33 0.00 0.00 56.93 56.65 1xn5 s PHE 93 Cb -0.12 -1.20 0.01 0.00 -1.31 0.00 0.00 43.02 40.40 1xn5 s PHE 93 CO 0.02 -0.50 -0.17 0.99 1.83 0.00 0.00 175.22 177.38 1xn5 s THR 94 N 1.73 2.38 0.04 0.12 2.01 0.89 -0.56 115.64 122.25 1xn5 s THR 94 Ca 0.05 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.20 1xn5 s THR 94 Cb -0.13 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 1xn5 s THR 94 CO -0.08 0.52 0.14 -0.51 -0.69 0.00 0.00 174.62 174.00 1xn5 s ILE 95 N 1.09 4.99 -0.08 1.82 -1.16 0.16 -0.77 121.20 127.25 1xn5 s ILE 95 Ca -0.00 -0.48 -0.04 0.00 -0.51 0.00 0.00 60.65 59.63 1xn5 s ILE 95 Cb -0.14 -3.38 0.04 0.00 0.61 0.00 0.00 42.46 39.59 1xn5 s ILE 95 CO -0.06 0.21 0.18 -0.69 -2.81 0.00 0.00 174.94 171.76 1xn5 s VAL 96 N -1.38 -0.09 -0.17 4.00 1.01 0.38 -0.16 120.40 123.99 1xn5 s VAL 96 Ca 0.29 0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.44 1xn5 s VAL 96 Cb -0.12 -0.29 0.05 0.00 0.00 0.00 0.00 36.38 36.02 1xn5 s VAL 96 CO 0.22 0.08 0.05 -2.28 0.00 0.00 0.00 175.10 173.17 1xn5 s HIS 97 N 1.41 0.73 0.47 5.22 5.04 -1.18 0.18 115.29 127.16 1xn5 s HIS 97 Ca -0.07 -0.59 0.07 0.00 -1.54 0.00 0.00 55.06 52.93 1xn5 s HIS 97 Cb -0.11 -0.89 0.00 0.00 0.04 0.00 0.00 32.58 31.62 1xn5 s HIS 97 CO -0.07 -0.53 0.37 -1.12 -2.34 0.00 0.00 174.74 171.05 1xn5 s SER 98 N 1.96 4.77 0.00 9.88 0.01 -0.90 -1.04 113.70 128.38 1xn5 s SER 98 Ca 0.01 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.25 1xn5 s SER 98 Cb -0.16 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 65.96 1xn5 s SER 98 CO -0.08 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.33 1xn5 n GLY 99 N -1.61 0.51 3.28 3.44 0.00 -1.26 -3.14 105.19 106.41 1xn5 n GLY 99 Ca 0.01 -0.81 -0.18 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.51 1.62 0.00 1.61 0.52 -1.26 -4.84 118.94 116.08 1xn5 s TRP 100 Ca 0.00 -1.59 0.00 0.00 0.02 0.00 0.00 56.10 54.53 1xn5 s TRP 100 Cb 0.00 -0.65 0.00 0.00 -1.15 0.00 0.00 33.47 31.67 1xn5 s TRP 100 CO 0.00 -0.85 0.00 1.63 0.02 0.00 0.00 176.95 177.75 1xn5 n LYS 101 N -0.56 1.24 -1.46 4.98 5.02 -1.26 -4.99 118.16 121.13 1xn5 n LYS 101 Ca 0.06 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.92 1xn5 n LYS 101 Cb 0.63 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.63 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 0.59 -0.87 1.97 1.13 -1.26 -3.46 117.38 115.47 1xn5 n GLN 102 Ca 0.00 0.21 -0.18 0.00 -1.94 0.00 0.00 57.00 55.09 1xn5 n GLN 102 Cb 0.00 -1.44 -0.09 0.00 0.11 0.00 0.00 30.24 28.82 1xn5 n GLN 102 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xn5 n GLY 103 N 1.74 3.00 1.25 1.08 0.00 -1.26 -2.84 105.19 108.16 1xn5 n GLY 103 Ca 0.12 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1xn5 n GLY 103 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xn5 n ASP 104 N 3.13 0.00 -3.84 1.61 5.68 -1.26 -4.93 116.55 116.94 1xn5 n ASP 104 Ca 0.44 0.00 -0.26 0.00 -0.50 0.00 0.00 54.79 54.47 1xn5 n ASP 104 Cb 0.50 0.26 0.20 0.00 -1.14 0.00 0.00 41.12 40.94 1xn5 n ASP 104 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1xn5 n THR 105 N -2.12 0.00 -4.34 2.12 -2.24 -1.13 -4.78 114.28 101.78 1xn5 n THR 105 Ca 0.00 -0.16 -0.25 0.00 -2.27 0.00 0.00 64.05 61.37 1xn5 n THR 105 Cb 0.00 -0.67 -0.13 0.00 -2.10 0.00 0.00 70.33 67.43 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 -3.85 1.19 -0.39 -0.78 2.20 -1.26 -2.84 119.74 114.01 1xn5 s LYS 106 Ca 0.52 -1.16 -0.29 0.00 -0.36 0.00 0.00 55.97 54.68 1xn5 s LYS 106 Cb -0.11 -1.47 0.02 0.00 -1.51 0.00 0.00 37.83 34.76 1xn5 s LYS 106 CO 0.52 0.35 1.14 0.08 -0.36 0.00 0.00 175.35 177.08 1xn5 s VAL 107 N -1.10 4.31 -1.54 4.02 1.01 -1.05 -4.82 120.40 121.22 1xn5 s VAL 107 Ca 0.07 1.43 -0.10 0.00 0.00 0.00 0.00 61.98 63.38 1xn5 s VAL 107 Cb -0.10 -4.46 -0.02 0.00 0.00 0.00 0.00 36.38 31.80 1xn5 s VAL 107 CO 0.04 -0.73 2.69 -1.84 0.00 0.00 0.00 175.10 175.27 1xn5 n GLU 108 N 7.41 3.69 0.02 2.72 0.28 -1.26 -3.57 120.64 129.92 1xn5 n GLU 108 Ca 0.13 -2.53 0.00 0.00 -0.16 0.00 0.00 57.16 54.60 1xn5 n GLU 108 Cb 0.48 -2.87 0.00 0.00 1.43 0.00 0.00 31.44 30.48 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 3.76 0.00 0.05 3.44 0.00 -1.26 -4.99 118.16 119.16 1xn5 n LYS 109 Ca 0.70 0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.89 1xn5 n LYS 109 Cb 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.23 1xn5 n LYS 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xn5 h ALA 110 N 0.00 -0.84 0.00 3.14 0.00 -2.00 -3.47 119.26 116.09 1xn5 h ALA 110 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xn5 h ALA 110 Cb 0.00 0.81 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1xn5 h ALA 110 CO 0.00 -0.95 0.00 0.41 0.00 0.00 0.00 179.25 178.71 1xn5 n GLY 111 N -1.34 0.82 0.00 0.00 0.00 -1.23 -5.14 105.19 98.30 1xn5 n GLY 111 Ca -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1xn5 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xn5 n ALA 112 N 0.00 0.00 -1.29 4.61 0.00 -1.26 -5.07 120.51 117.50 1xn5 n ALA 112 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1xn5 n ALA 112 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 1xn5 n ALA 112 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xn5 n GLU 113 N -0.39 0.33 0.25 0.00 1.02 -1.26 -2.54 120.64 118.05 1xn5 n GLU 113 Ca 0.00 0.15 0.12 0.00 -0.02 0.00 0.00 57.16 57.41 1xn5 n GLU 113 Cb 0.00 -1.78 0.62 0.00 -0.02 0.00 0.00 31.44 30.26 1xn5 n GLU 113 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1xn5 h SER 114 N -0.27 0.00 0.10 1.62 0.02 -1.83 -1.93 113.55 111.25 1xn5 h SER 114 Ca -0.45 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.30 1xn5 h SER 114 Cb 1.36 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.92 1xn5 h SER 114 CO 0.43 0.15 -0.83 0.00 -1.14 0.00 0.00 176.83 175.44 1xn5 h ALA 115 N 1.85 -0.03 0.33 3.77 0.00 -1.89 0.39 119.26 123.68 1xn5 h ALA 115 Ca -0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 1xn5 h ALA 115 Cb 0.54 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1xn5 h ALA 115 CO 0.02 0.42 -0.22 0.28 0.00 0.00 0.00 179.25 179.75 1xn5 h VAL 116 N -0.17 0.54 -0.42 0.00 2.07 -1.83 0.32 116.25 116.75 1xn5 h VAL 116 Ca -0.13 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1xn5 h VAL 116 Cb 1.59 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1xn5 h VAL 116 CO 0.16 0.00 0.13 0.58 0.02 0.00 0.00 177.57 178.46 1xn5 h VAL 117 N -0.53 1.22 -0.52 2.57 2.07 -1.47 0.17 116.25 119.76 1xn5 h VAL 117 Ca -0.03 -0.72 0.10 0.00 0.82 0.00 0.00 66.70 66.88 1xn5 h VAL 117 Cb 0.45 0.89 -0.11 0.00 -1.52 0.00 0.00 31.29 31.01 1xn5 h VAL 117 CO 0.02 0.25 -0.23 -0.74 0.02 0.00 0.00 177.57 176.90 1xn5 h HIS 118 N 0.54 -0.57 -0.02 1.57 6.17 -0.60 1.01 115.15 123.25 1xn5 h HIS 118 Ca 0.14 0.06 -0.00 0.00 0.71 0.00 0.00 60.37 61.27 1xn5 h HIS 118 Cb 0.26 0.33 -0.00 0.00 2.52 0.00 0.00 27.41 30.52 1xn5 h HIS 118 CO 0.01 -0.31 -0.01 0.93 0.71 0.00 0.00 177.93 179.26 1xn5 h GLU 119 N -0.11 0.04 0.06 5.26 5.08 -0.71 0.12 114.58 124.32 1xn5 h GLU 119 Ca 0.24 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.60 1xn5 h GLU 119 Cb 0.48 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 1xn5 h GLU 119 CO -0.59 0.42 -0.52 0.00 -1.00 0.00 0.00 179.01 177.31 1xn5 h ARG 120 N -0.34 -0.68 -0.70 2.33 3.08 0.40 0.57 114.38 119.03 1xn5 h ARG 120 Ca 0.00 0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.11 1xn5 h ARG 120 Cb 0.40 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.57 1xn5 h ARG 120 CO 0.00 -0.45 0.46 0.52 -1.07 0.00 0.00 179.97 179.43 1xn5 h MET 121 N -0.71 0.92 -0.30 0.04 2.86 0.97 -2.34 114.93 116.36 1xn5 h MET 121 Ca 0.01 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1xn5 h MET 121 Cb 0.74 -0.21 -0.05 0.00 0.06 0.00 0.00 31.60 32.14 1xn5 h MET 121 CO -0.32 0.61 -0.01 0.22 1.06 0.00 0.00 176.91 178.47 1xn5 h ASP 122 N 0.94 -0.14 -0.03 1.22 1.82 -0.00 1.04 116.42 121.28 1xn5 h ASP 122 Ca 0.26 0.07 0.03 0.00 -0.39 0.00 0.00 57.03 57.00 1xn5 h ASP 122 Cb -0.10 0.13 -0.06 0.00 0.68 0.00 0.00 39.33 39.98 1xn5 h ASP 122 CO -0.06 -0.04 -0.39 0.03 -1.61 0.00 0.00 179.24 177.17 1xn5 h ARG 123 N 0.08 -0.51 -0.81 0.28 2.47 0.60 0.48 114.38 116.97 1xn5 h ARG 123 Ca 0.15 0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.87 1xn5 h ARG 123 Cb 0.20 0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 28.60 1xn5 h ARG 123 CO -0.25 -0.34 0.37 0.78 0.56 0.00 0.00 179.97 181.08 1xn5 h GLY 124 N -0.53 1.26 0.58 0.04 0.00 -0.93 0.11 103.07 103.60 1xn5 h GLY 124 Ca 0.06 -0.65 0.01 0.00 0.00 0.00 0.00 47.33 46.75 1xn5 h GLY 124 CO -0.32 0.61 -0.28 1.49 0.00 0.00 0.00 176.54 178.05 1xn5 h TRP 125 N 1.16 -0.75 0.14 5.60 -0.00 0.20 1.01 115.95 123.31 1xn5 h TRP 125 Ca 0.28 0.01 0.01 0.00 -0.00 0.00 0.00 58.89 59.18 1xn5 h TRP 125 Cb 0.15 0.31 -0.02 0.00 -0.00 0.00 0.00 29.16 29.60 1xn5 h TRP 125 CO 0.02 -0.39 -0.17 1.25 -0.00 0.00 0.00 178.44 179.15 1xn5 h HIS 126 N -0.53 -0.44 -0.96 0.49 2.76 0.20 1.00 115.15 117.66 1xn5 h HIS 126 Ca 0.01 0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.35 1xn5 h HIS 126 Cb 0.53 0.18 -0.09 0.00 1.55 0.00 0.00 27.41 29.58 1xn5 h HIS 126 CO -0.22 -0.25 0.61 -0.44 -1.30 0.00 0.00 177.93 176.32 1xn5 h ASP 127 N -0.35 0.75 -0.10 3.26 3.32 -0.38 0.23 116.42 123.16 1xn5 h ASP 127 Ca 0.01 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1xn5 h ASP 127 Cb 0.35 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1xn5 h ASP 127 CO -0.06 0.35 0.04 0.25 -1.72 0.00 0.00 179.24 178.10 1xn5 h LEU 128 N 0.78 0.14 -3.74 1.55 5.85 0.22 -2.51 115.31 117.60 1xn5 h LEU 128 Ca 0.51 -0.16 -0.50 0.00 0.84 0.00 0.00 57.88 58.56 1xn5 h LEU 128 Cb 0.75 -0.04 -0.22 0.00 0.37 0.00 0.00 40.66 41.53 1xn5 h LEU 128 CO -0.27 0.27 0.65 0.55 -0.34 0.00 0.00 178.44 179.29 1xn5 n VAL 129 N -4.92 3.20 0.01 1.05 3.14 0.24 -1.00 118.33 120.05 1xn5 n VAL 129 Ca -0.06 -2.27 0.00 0.00 -2.96 0.00 0.00 64.34 59.05 1xn5 n VAL 129 Cb 0.11 -1.20 0.00 0.00 -1.06 0.00 0.00 33.84 31.69 1xn5 n VAL 129 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1xn5 n ASN 130 N -0.35 0.27 -0.00 6.55 4.05 0.61 -4.65 115.26 121.74 1xn5 n ASN 130 Ca 0.47 0.04 -0.00 0.00 0.45 0.00 0.00 54.58 55.54 1xn5 n ASN 130 Cb 0.67 -0.08 -0.00 0.00 1.23 0.00 0.00 39.78 41.60 1xn5 n ASN 130 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 1xn5 n GLU 131 N -2.76 1.68 -0.27 1.20 0.28 -1.15 -4.15 120.64 115.47 1xn5 n GLU 131 Ca 0.00 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.07 1xn5 n GLU 131 Cb 0.00 -1.01 0.30 0.00 1.43 0.00 0.00 31.44 32.16 1xn5 n GLU 131 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xn5 h ARG 132 N 0.00 0.84 0.08 3.44 2.47 -1.59 1.06 114.38 120.68 1xn5 h ARG 132 Ca -0.01 -0.05 -0.29 0.00 -1.26 0.00 0.00 59.98 58.37 1xn5 h ARG 132 Cb 1.03 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 29.14 1xn5 h ARG 132 CO -0.00 0.56 -1.49 1.25 0.56 0.00 0.00 179.97 180.85 1xn5 h LEU 133 N 0.87 0.26 -0.94 3.04 5.85 -1.33 -3.31 115.31 119.74 1xn5 h LEU 133 Ca 0.39 -0.37 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1xn5 h LEU 133 Cb 0.36 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1xn5 h LEU 133 CO -0.16 1.31 -0.19 -0.09 -0.34 0.00 0.00 178.44 178.98 1xn5 h ARG 134 N 0.04 0.56 0.00 1.25 2.43 -1.41 -1.59 114.38 115.67 1xn5 h ARG 134 Ca -0.22 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1xn5 h ARG 134 Cb 1.98 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.48 1xn5 h ARG 134 CO 0.14 0.72 0.00 0.94 -1.51 0.00 0.00 179.97 180.26 1xn5 n GLN 135 N -4.15 0.01 0.10 0.20 7.27 0.36 0.16 117.38 121.33 1xn5 n GLN 135 Ca 0.00 0.38 0.02 0.00 0.07 0.00 0.00 57.00 57.47 1xn5 n GLN 135 Cb 0.38 -1.53 -0.01 0.00 2.41 0.00 0.00 30.24 31.48 1xn5 n GLN 135 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1xn5 h ILE 136 N 0.00 0.76 0.00 1.69 1.08 -1.41 -3.32 117.51 116.30 1xn5 h ILE 136 Ca 0.00 -2.16 -0.07 0.00 -0.39 0.00 0.00 64.86 62.25 1xn5 h ILE 136 Cb 0.14 2.30 -0.01 0.00 -3.07 0.00 0.00 36.82 36.17 1xn5 h ILE 136 CO 0.00 0.43 -1.59 1.33 -0.69 0.00 0.00 178.15 177.63 1xn5 n VAL 137 N -3.11 0.25 1.10 1.67 0.24 0.02 -5.05 118.33 113.44 1xn5 n VAL 137 Ca -0.02 -0.33 0.12 0.00 -2.04 0.00 0.00 64.34 62.08 1xn5 n VAL 137 Cb 0.77 -0.09 0.18 0.00 -1.47 0.00 0.00 33.84 33.23 1xn5 n VAL 137 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07