#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn7 n ALA 2 N 0.00 0.58 -2.75 3.04 0.00 -1.26 -5.12 120.51 115.00 1xn7 n ALA 2 Ca 0.00 -1.04 -0.22 0.00 0.00 0.00 0.00 53.44 52.18 1xn7 n ALA 2 Cb 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 19.45 19.71 1xn7 n ALA 2 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xn7 s SER 3 N -2.80 6.25 0.14 0.00 1.04 -1.26 -5.01 113.70 112.06 1xn7 s SER 3 Ca 0.30 0.25 -0.03 0.00 0.48 0.00 0.00 55.95 56.95 1xn7 s SER 3 Cb -0.02 -1.88 -0.08 0.00 0.10 0.00 0.00 66.02 64.14 1xn7 s SER 3 CO 0.19 -0.24 1.32 -0.07 0.98 0.00 0.00 173.24 175.42 1xn7 h LEU 4 N 0.90 0.46 -1.97 2.42 3.38 -2.01 -3.03 115.31 115.46 1xn7 h LEU 4 Ca -0.50 -0.37 0.21 0.00 0.09 0.00 0.00 57.88 57.30 1xn7 h LEU 4 Cb 1.23 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1xn7 h LEU 4 CO 0.60 1.17 0.56 0.40 0.09 0.00 0.00 178.44 181.27 1xn7 h ILE 5 N 0.20 0.52 0.27 1.22 1.08 -1.97 0.22 117.51 119.05 1xn7 h ILE 5 Ca -0.07 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 1xn7 h ILE 5 Cb 1.56 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 35.91 1xn7 h ILE 5 CO 0.16 0.00 -0.13 1.56 -0.69 0.00 0.00 178.15 179.04 1xn7 h GLN 6 N 0.00 -0.36 -0.46 2.37 4.20 -1.94 1.46 115.11 120.38 1xn7 h GLN 6 Ca 0.34 0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.99 1xn7 h GLN 6 Cb 1.47 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.31 1xn7 h GLN 6 CO -0.00 -0.12 -0.05 -0.24 -0.67 0.00 0.00 178.83 177.75 1xn7 h VAL 7 N -0.55 1.25 -0.12 -0.54 3.04 -1.04 0.24 116.25 118.54 1xn7 h VAL 7 Ca -0.04 -1.07 -0.04 0.00 -1.01 0.00 0.00 66.70 64.55 1xn7 h VAL 7 Cb 0.40 0.95 -0.00 0.00 -2.01 0.00 0.00 31.29 30.63 1xn7 h VAL 7 CO 0.06 0.37 -0.07 0.03 -1.01 0.00 0.00 177.57 176.96 1xn7 h ARG 8 N 0.72 0.26 0.12 4.17 3.08 -0.51 0.23 114.38 122.45 1xn7 h ARG 8 Ca 0.13 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1xn7 h ARG 8 Cb 0.51 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1xn7 h ARG 8 CO 0.03 0.61 -0.06 0.22 -1.07 0.00 0.00 179.97 179.70 1xn7 h ASP 9 N -0.10 -0.14 -0.82 7.04 3.58 0.22 -0.97 116.42 125.23 1xn7 h ASP 9 Ca 0.03 -0.09 0.04 0.00 0.42 0.00 0.00 57.03 57.43 1xn7 h ASP 9 Cb 0.53 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.57 1xn7 h ASP 9 CO 0.02 -0.00 0.52 -0.07 -2.88 0.00 0.00 179.24 176.83 1xn7 h LEU 10 N -0.27 0.86 -1.97 2.28 -0.00 -0.53 1.59 115.31 117.27 1xn7 h LEU 10 Ca -0.02 -0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.90 1xn7 h LEU 10 Cb 0.22 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 1xn7 h LEU 10 CO 0.03 0.58 0.10 -0.07 -0.00 0.00 0.00 178.44 179.08 1xn7 h LEU 11 N 1.01 0.04 0.00 1.67 3.38 -0.16 1.48 115.31 122.72 1xn7 h LEU 11 Ca 0.33 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.17 1xn7 h LEU 11 Cb 0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1xn7 h LEU 11 CO -0.13 0.02 -0.79 0.00 0.09 0.00 0.00 178.44 177.64 1xn7 h ALA 12 N 1.93 0.15 0.88 1.53 0.00 0.57 -1.12 119.26 123.19 1xn7 h ALA 12 Ca 0.06 -0.88 -0.04 0.00 0.00 0.00 0.00 54.91 54.06 1xn7 h ALA 12 Cb 0.20 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1xn7 h ALA 12 CO -0.00 0.47 -0.49 -0.07 0.00 0.00 0.00 179.25 179.15 1xn7 h LEU 13 N -1.00 -1.22 -0.22 0.00 3.38 0.25 -2.03 115.31 114.47 1xn7 h LEU 13 Ca -0.20 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1xn7 h LEU 13 Cb 1.05 0.34 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1xn7 h LEU 13 CO -0.12 -0.78 0.00 0.54 0.09 0.00 0.00 178.44 178.17 1xn7 n ARG 14 N -5.65 1.15 0.00 1.13 5.12 0.50 -4.99 116.66 113.92 1xn7 n ARG 14 Ca -0.16 -0.22 0.00 0.00 -1.93 0.00 0.00 57.85 55.54 1xn7 n ARG 14 Cb 0.52 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 30.47 1xn7 n ARG 14 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xn7 n GLY 15 N 0.89 2.44 3.70 -0.13 0.00 -0.42 -4.54 105.19 107.13 1xn7 n GLY 15 Ca 0.16 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1xn7 n GLY 15 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xn7 s ARG 16 N 0.00 4.31 -0.11 1.61 1.70 -1.24 -4.27 118.95 120.96 1xn7 s ARG 16 Ca 0.00 2.00 -0.30 0.00 -0.47 0.00 0.00 55.73 56.96 1xn7 s ARG 16 Cb 0.00 -3.44 0.11 0.00 -0.57 0.00 0.00 34.95 31.06 1xn7 s ARG 16 CO 0.00 -0.50 0.92 1.41 -1.08 0.00 0.00 175.30 176.05 1xn7 s MET 17 N 1.82 0.72 0.87 3.89 1.75 -0.30 -4.95 119.30 123.10 1xn7 s MET 17 Ca 0.64 0.06 -0.11 0.00 -1.25 0.00 0.00 55.69 55.04 1xn7 s MET 17 Cb -0.33 0.34 0.11 0.00 2.84 0.00 0.00 34.83 37.79 1xn7 s MET 17 CO 0.28 -0.25 1.11 -1.83 -0.65 0.00 0.00 175.02 173.69 1xn7 s GLU 18 N -1.57 1.46 0.18 4.11 -1.05 -1.26 -2.67 118.70 117.89 1xn7 s GLU 18 Ca -0.02 1.28 -0.08 0.00 -0.15 0.00 0.00 54.97 56.00 1xn7 s GLU 18 Cb -0.00 -1.80 0.06 0.00 -0.44 0.00 0.00 34.13 31.95 1xn7 s GLU 18 CO 0.01 -2.23 1.57 0.00 0.95 0.00 0.00 175.26 175.55 1xn7 h ALA 19 N -1.57 0.74 -1.12 -0.84 0.00 -1.93 -2.72 119.26 111.82 1xn7 h ALA 19 Ca -0.45 -0.39 0.37 0.00 0.00 0.00 0.00 54.91 54.44 1xn7 h ALA 19 Cb 1.26 -0.16 -0.14 0.00 0.00 0.00 0.00 17.79 18.75 1xn7 h ALA 19 CO 0.47 0.66 0.68 0.00 0.00 0.00 0.00 179.25 181.06 1xn7 h ALA 20 N 0.93 2.29 0.06 0.00 0.00 -1.93 1.55 119.26 122.17 1xn7 h ALA 20 Ca 0.10 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1xn7 h ALA 20 Cb 0.79 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1xn7 h ALA 20 CO 0.07 -0.91 -0.03 1.96 0.00 0.00 0.00 179.25 180.33 1xn7 h GLN 21 N 0.20 -0.08 -0.22 0.00 1.08 -1.86 -2.43 115.11 111.80 1xn7 h GLN 21 Ca 0.77 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 58.01 1xn7 h GLN 21 Cb 2.05 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 29.47 1xn7 h GLN 21 CO -0.53 0.50 -0.01 0.82 -0.95 0.00 0.00 178.83 178.66 1xn7 h ILE 22 N -0.78 0.83 -0.90 2.54 2.04 -0.20 0.10 117.51 121.15 1xn7 h ILE 22 Ca -0.01 -0.02 0.13 0.00 1.00 0.00 0.00 64.86 65.96 1xn7 h ILE 22 Cb 0.62 0.77 -0.09 0.00 -0.74 0.00 0.00 36.82 37.38 1xn7 h ILE 22 CO 0.01 0.01 0.52 0.77 0.00 0.00 0.00 178.15 179.46 1xn7 h SER 23 N 0.06 0.70 -0.40 1.72 4.64 0.19 -0.43 113.55 120.02 1xn7 h SER 23 Ca 0.11 0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.48 1xn7 h SER 23 Cb 0.14 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1xn7 h SER 23 CO -0.19 0.34 0.17 1.56 -0.87 0.00 0.00 176.83 177.84 1xn7 h GLN 24 N 0.78 0.60 -0.75 4.77 1.08 -0.69 1.69 115.11 122.58 1xn7 h GLN 24 Ca 0.47 -0.10 0.17 0.00 -1.45 0.00 0.00 58.65 57.74 1xn7 h GLN 24 Cb 0.58 -0.10 -0.12 0.00 -0.05 0.00 0.00 27.48 27.79 1xn7 h GLN 24 CO -0.31 0.55 0.14 1.15 -0.95 0.00 0.00 178.83 179.40 1xn7 h THR 25 N 0.51 0.45 -0.64 -0.54 2.02 0.68 0.83 112.91 116.22 1xn7 h THR 25 Ca 0.14 -0.07 -0.09 0.00 0.77 0.00 0.00 66.41 67.15 1xn7 h THR 25 Cb 0.17 0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 66.74 1xn7 h THR 25 CO -0.01 0.04 0.11 0.00 0.37 0.00 0.00 175.52 176.02 1xn7 n LEU 26 N -5.21 5.89 -2.53 2.58 -0.00 -0.97 -4.89 117.00 111.87 1xn7 n LEU 26 Ca 0.14 -3.06 -0.02 0.00 -0.00 0.00 0.00 56.01 53.07 1xn7 n LEU 26 Cb 0.48 -0.71 -0.00 0.00 -0.00 0.00 0.00 43.42 43.19 1xn7 n LEU 26 CO 0.10 0.70 -0.01 -3.20 -0.00 0.00 0.00 177.39 174.99 1xn7 n ASN 27 N 0.30 -1.00 -4.90 1.45 2.85 0.29 -4.85 115.26 109.40 1xn7 n ASN 27 Ca 0.33 0.38 -0.29 0.00 -0.11 0.00 0.00 54.58 54.89 1xn7 n ASN 27 Cb 1.28 -0.99 0.03 0.00 1.24 0.00 0.00 39.78 41.34 1xn7 n ASN 27 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1xn7 s THR 28 N -1.99 3.92 0.21 -0.44 -1.32 0.55 -4.94 115.64 111.64 1xn7 s THR 28 Ca 0.05 0.32 -0.30 0.00 -1.21 0.00 0.00 61.69 60.55 1xn7 s THR 28 Cb -0.03 -3.58 -0.08 0.00 -1.51 0.00 0.00 72.50 67.30 1xn7 s THR 28 CO 0.06 -0.67 1.10 -2.16 -2.21 0.00 0.00 174.62 170.74 1xn7 s PRO 29 N -5.11 4.61 0.21 7.08 0.04 -1.26 -4.41 135.00 136.15 1xn7 s PRO 29 Ca 0.55 1.76 -0.16 0.00 0.04 0.00 0.00 61.00 63.18 1xn7 s PRO 29 Cb -0.11 -3.25 0.20 0.00 0.04 0.00 0.00 34.50 31.39 1xn7 s PRO 29 CO 0.49 0.12 1.60 0.37 0.04 0.00 0.00 177.00 179.61 1xn7 h GLN 30 N 4.68 -0.08 -2.59 4.56 -0.00 -1.96 -1.25 115.11 118.47 1xn7 h GLN 30 Ca -0.45 0.01 -0.27 0.00 -0.00 0.00 0.00 58.65 57.94 1xn7 h GLN 30 Cb 1.21 0.02 -0.03 0.00 0.00 0.00 0.00 27.48 28.68 1xn7 h GLN 30 CO 0.71 -0.05 0.97 -0.35 0.00 0.00 0.00 178.83 180.11 1xn7 n PRO 31 N -5.45 1.94 0.00 -2.39 -0.04 -1.26 -3.13 135.00 124.67 1xn7 n PRO 31 Ca 0.07 -1.10 0.00 0.00 -0.04 0.00 0.00 63.50 62.43 1xn7 n PRO 31 Cb 0.36 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 1xn7 n PRO 31 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1xn7 n MET 32 N 3.07 0.00 0.03 0.54 1.56 -0.47 -4.83 117.12 117.02 1xn7 n MET 32 Ca 0.42 0.00 -0.17 0.00 -0.27 0.00 0.00 57.70 57.68 1xn7 n MET 32 Cb 0.51 -0.08 -0.06 0.00 2.15 0.00 0.00 33.22 35.74 1xn7 n MET 32 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 1xn7 h ILE 33 N 0.00 1.32 -0.80 1.12 1.08 -1.63 -3.08 117.51 115.52 1xn7 h ILE 33 Ca 0.00 -2.20 0.09 0.00 -0.39 0.00 0.00 64.86 62.36 1xn7 h ILE 33 Cb 0.00 2.24 -0.07 0.00 -3.07 0.00 0.00 36.82 35.92 1xn7 h ILE 33 CO 0.00 0.68 0.45 0.78 -0.69 0.00 0.00 178.15 179.37 1xn7 h ASN 34 N 0.39 0.64 -0.37 1.72 2.35 -1.89 0.47 115.58 118.89 1xn7 h ASN 34 Ca -0.08 0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1xn7 h ASN 34 Cb 1.54 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.81 1xn7 h ASN 34 CO 0.17 0.37 0.20 0.00 -1.65 0.00 0.00 177.43 176.52 1xn7 h ALA 35 N 1.44 0.45 -0.27 -0.83 0.00 -1.85 -0.25 119.26 117.96 1xn7 h ALA 35 Ca 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1xn7 h ALA 35 Cb 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1xn7 h ALA 35 CO -0.25 -0.16 0.09 0.52 0.00 0.00 0.00 179.25 179.46 1xn7 h MET 36 N 0.41 0.41 -1.00 0.00 2.86 -1.05 -2.21 114.93 114.36 1xn7 h MET 36 Ca 0.15 -0.09 0.13 0.00 -2.06 0.00 0.00 59.70 57.83 1xn7 h MET 36 Cb 0.03 -0.06 -0.09 0.00 0.06 0.00 0.00 31.60 31.54 1xn7 h MET 36 CO -0.09 0.47 0.63 -0.07 1.06 0.00 0.00 176.91 178.91 1xn7 h LEU 37 N 0.27 0.89 -0.42 1.22 3.38 0.25 0.94 115.31 121.84 1xn7 h LEU 37 Ca 0.09 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1xn7 h LEU 37 Cb 0.23 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1xn7 h LEU 37 CO -0.00 0.46 0.21 -0.61 0.09 0.00 0.00 178.44 178.58 1xn7 h GLN 38 N 0.95 0.59 0.23 1.13 4.15 -0.65 0.19 115.11 121.70 1xn7 h GLN 38 Ca 0.50 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.83 1xn7 h GLN 38 Cb 0.55 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1xn7 h GLN 38 CO -0.27 0.50 -0.11 0.37 -1.93 0.00 0.00 178.83 177.39 1xn7 h GLN 39 N 0.54 -0.30 -0.57 1.69 4.15 -0.44 0.42 115.11 120.60 1xn7 h GLN 39 Ca 0.15 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.64 1xn7 h GLN 39 Cb 0.09 0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.80 1xn7 h GLN 39 CO -0.02 -0.17 0.29 -0.07 -1.93 0.00 0.00 178.83 176.93 1xn7 h LEU 40 N -0.36 0.41 -0.19 -2.39 3.38 -0.77 -0.91 115.31 114.49 1xn7 h LEU 40 Ca -0.03 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1xn7 h LEU 40 Cb 0.27 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1xn7 h LEU 40 CO 0.05 0.27 -0.05 -0.08 0.09 0.00 0.00 178.44 178.72 1xn7 h GLU 41 N 0.55 -0.00 -0.44 1.13 4.81 -0.31 0.45 114.58 120.76 1xn7 h GLU 41 Ca 0.26 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.56 1xn7 h GLU 41 Cb 0.18 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 1xn7 h GLU 41 CO -0.18 -0.00 0.06 1.03 -0.73 0.00 0.00 179.01 179.19 1xn7 h SER 42 N -0.00 -0.04 0.17 1.04 0.87 -0.17 -2.46 113.55 112.95 1xn7 h SER 42 Ca 0.09 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1xn7 h SER 42 Cb 0.14 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1xn7 h SER 42 CO -0.20 0.01 -0.08 0.24 -0.53 0.00 0.00 176.83 176.27 1xn7 h MET 43 N 0.19 -0.22 0.00 2.24 2.86 -0.51 -3.48 114.93 116.01 1xn7 h MET 43 Ca 0.22 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1xn7 h MET 43 Cb 0.29 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1xn7 h MET 43 CO -0.30 -0.05 0.00 0.41 1.06 0.00 0.00 176.91 178.03 1xn7 n GLY 44 N -0.84 0.91 0.21 8.32 0.00 0.15 -5.08 105.19 108.86 1xn7 n GLY 44 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 1xn7 n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xn7 n LYS 45 N 0.00 0.47 -2.69 1.61 4.76 -0.86 -5.00 118.16 116.45 1xn7 n LYS 45 Ca 0.00 0.18 -0.22 0.00 -2.87 0.00 0.00 58.31 55.41 1xn7 n LYS 45 Cb 0.00 -1.32 0.06 0.00 -1.84 0.00 0.00 35.03 31.94 1xn7 n LYS 45 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xn7 s ALA 46 N -2.79 3.97 0.11 7.82 0.00 -1.26 -1.98 121.76 127.62 1xn7 s ALA 46 Ca -0.26 -1.60 0.04 0.00 0.00 0.00 0.00 51.96 50.15 1xn7 s ALA 46 Cb 0.04 -1.94 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 1xn7 s ALA 46 CO 0.38 -1.00 -0.11 0.14 0.00 0.00 0.00 175.76 175.17 1xn7 s VAL 47 N -2.87 1.07 0.07 0.00 -7.23 0.48 -4.68 120.40 107.24 1xn7 s VAL 47 Ca 0.61 -1.74 -0.22 0.00 -1.81 0.00 0.00 61.98 58.82 1xn7 s VAL 47 Cb -0.08 -1.50 -0.06 0.00 0.56 0.00 0.00 36.38 35.30 1xn7 s VAL 47 CO 0.40 -0.57 0.66 -0.60 -0.31 0.00 0.00 175.10 174.69 1xn7 s ARG 48 N -2.96 4.38 0.12 4.82 3.52 -1.26 -1.43 118.95 126.13 1xn7 s ARG 48 Ca 0.08 0.90 0.09 0.00 -0.13 0.00 0.00 55.73 56.68 1xn7 s ARG 48 Cb -0.02 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 1xn7 s ARG 48 CO 0.01 0.49 -0.19 0.42 -0.81 0.00 0.00 175.30 175.22 1xn7 s ILE 49 N -0.69 2.81 0.11 4.11 -1.09 0.40 -4.93 121.20 121.92 1xn7 s ILE 49 Ca 0.33 -1.51 0.09 0.00 -2.23 0.00 0.00 60.65 57.32 1xn7 s ILE 49 Cb -0.20 -2.29 -0.04 0.00 -1.58 0.00 0.00 42.46 38.35 1xn7 s ILE 49 CO 0.21 0.10 -0.16 -1.58 -1.23 0.00 0.00 174.94 172.28 1xn7 s GLN 50 N -2.13 1.86 0.38 2.79 0.74 -1.26 0.19 119.66 122.22 1xn7 s GLN 50 Ca 0.18 -1.15 0.08 0.00 0.05 0.00 0.00 55.36 54.52 1xn7 s GLN 50 Cb -0.11 -2.16 -0.02 0.00 1.10 0.00 0.00 33.01 31.83 1xn7 s GLN 50 CO 0.10 0.49 0.37 -1.21 -0.55 0.00 0.00 175.29 174.49 1xn7 s GLU 51 N -2.15 2.70 0.40 1.67 2.02 -1.26 -4.83 118.70 117.25 1xn7 s GLU 51 Ca 0.19 -1.36 -0.22 0.00 0.02 0.00 0.00 54.97 53.60 1xn7 s GLU 51 Cb -0.11 -2.50 -0.15 0.00 0.10 0.00 0.00 34.13 31.47 1xn7 s GLU 51 CO 0.11 -0.06 0.20 0.39 0.02 0.00 0.00 175.26 175.91 1xn7 n GLU 52 N -1.52 0.11 0.00 1.61 1.02 -1.26 -4.90 120.64 115.70 1xn7 n GLU 52 Ca 0.02 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1xn7 n GLU 52 Cb 0.60 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 1xn7 n GLU 52 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1xn7 n PRO 53 N 1.17 0.64 -4.40 3.49 -0.04 -1.26 -4.90 135.00 129.70 1xn7 n PRO 53 Ca 0.12 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.37 1xn7 n PRO 53 Cb 0.39 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.75 1xn7 n PRO 53 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1xn7 s ASP 54 N -1.25 2.63 0.33 3.54 -4.77 -1.26 -5.14 116.67 110.75 1xn7 s ASP 54 Ca 0.00 -1.17 -0.13 0.00 -3.30 0.00 0.00 52.55 47.95 1xn7 s ASP 54 Cb 0.00 -0.14 0.03 0.00 -1.09 0.00 0.00 42.92 41.71 1xn7 s ASP 54 CO 0.00 -0.33 0.65 -0.83 0.70 0.00 0.00 175.17 175.36 1xn7 s GLY 55 N -3.41 0.56 -0.02 2.12 0.00 -1.26 -5.19 107.32 100.13 1xn7 s GLY 55 Ca 0.28 -0.86 -0.30 0.00 0.00 0.00 0.00 44.72 43.84 1xn7 s GLY 55 CO 0.11 -0.48 1.05 0.00 0.00 0.00 0.00 173.10 173.77 1xn7 s LEU 57 N -2.57 3.81 -0.30 0.00 2.01 -1.26 -5.12 118.68 115.25 1xn7 s LEU 57 Ca 0.09 -0.25 -0.16 0.00 0.01 0.00 0.00 54.13 53.82 1xn7 s LEU 57 Cb -0.00 -2.35 0.20 0.00 0.01 0.00 0.00 46.19 44.06 1xn7 s LEU 57 CO -0.05 -0.03 1.24 -0.44 1.01 0.00 0.00 176.35 178.08 1xn7 s SER 58 N -3.81 -0.10 0.00 2.29 0.01 -1.26 -5.15 113.70 105.68 1xn7 s SER 58 Ca 0.33 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.74 1xn7 s SER 58 Cb -0.08 1.05 0.00 0.00 0.21 0.00 0.00 66.02 67.20 1xn7 s SER 58 CO 0.25 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.48 1xn7 n GLY 59 N 3.32 -1.19 3.29 3.44 0.00 -1.26 -4.79 105.19 108.00 1xn7 n GLY 59 Ca -0.16 -0.10 -0.45 0.00 0.00 0.00 0.00 46.02 45.31 1xn7 n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xn7 s SER 60 N -1.60 6.44 -0.30 1.61 0.01 -1.26 -4.97 113.70 113.64 1xn7 s SER 60 Ca 0.00 -2.57 -0.37 0.00 1.31 0.00 0.00 55.95 54.31 1xn7 s SER 60 Cb 0.00 -2.15 0.17 0.00 0.21 0.00 0.00 66.02 64.24 1xn7 s SER 60 CO 0.00 -0.58 1.40 0.00 0.41 0.00 0.00 173.24 174.46 1xn7 s LYS 62 N -1.83 1.29 -0.30 0.00 2.20 -1.26 -5.02 119.74 114.83 1xn7 s LYS 62 Ca 0.12 -0.40 -0.17 0.00 -0.36 0.00 0.00 55.97 55.16 1xn7 s LYS 62 Cb -0.01 -1.15 0.18 0.00 -1.51 0.00 0.00 37.83 35.33 1xn7 s LYS 62 CO -0.03 0.13 1.10 -1.12 -0.36 0.00 0.00 175.35 175.07 1xn7 s SER 63 N 0.24 -0.39 0.33 1.43 0.01 -1.26 -5.18 113.70 108.88 1xn7 s SER 63 Ca -0.05 0.54 0.09 0.00 1.31 0.00 0.00 55.95 57.84 1xn7 s SER 63 Cb -0.11 1.44 -0.05 0.00 0.21 0.00 0.00 66.02 67.51 1xn7 s SER 63 CO 0.01 -0.08 -0.01 0.00 0.41 0.00 0.00 173.24 173.58 1xn7 n PRO 65 N -0.91 0.67 -2.92 0.00 -0.04 -1.26 -5.00 135.00 125.53 1xn7 n PRO 65 Ca -0.04 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.15 1xn7 n PRO 65 Cb 0.62 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.04 1xn7 n PRO 65 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1xn7 n GLU 66 N -0.27 3.21 0.00 0.54 0.28 -1.26 -4.97 120.64 118.17 1xn7 n GLU 66 Ca 0.00 -4.82 0.00 0.00 -0.16 0.00 0.00 57.16 52.18 1xn7 n GLU 66 Cb 0.00 -2.23 0.00 0.00 1.43 0.00 0.00 31.44 30.64 1xn7 n GLU 66 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xn7 n GLY 67 N -0.25 2.23 1.43 -1.84 0.00 -1.26 -4.94 105.19 100.56 1xn7 n GLY 67 Ca 0.31 -0.02 0.18 0.00 0.00 0.00 0.00 46.02 46.49 1xn7 n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xn7 n LYS 68 N 0.00 -3.19 -0.61 1.61 5.02 -1.26 -4.82 118.16 114.91 1xn7 n LYS 68 Ca 0.00 2.47 -0.30 0.00 -2.02 0.00 0.00 58.31 58.46 1xn7 n LYS 68 Cb 0.00 -3.77 0.20 0.00 -0.02 0.00 0.00 35.03 31.44 1xn7 n LYS 68 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xn7 n ALA 69 N -3.69 -2.51 -2.36 7.82 0.00 -1.26 -5.00 120.51 113.50 1xn7 n ALA 69 Ca -0.06 -0.95 -0.23 0.00 0.00 0.00 0.00 53.44 52.20 1xn7 n ALA 69 Cb 0.67 -1.94 0.01 0.00 0.00 0.00 0.00 19.45 18.19 1xn7 n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xn7 n LEU 71 N -2.03 0.13 -4.56 0.00 7.99 -1.26 -4.71 117.00 112.55 1xn7 n LEU 71 Ca 0.01 0.29 -0.20 0.00 -0.01 0.00 0.00 56.01 56.10 1xn7 n LEU 71 Cb 0.57 -1.23 -0.07 0.00 -0.11 0.00 0.00 43.42 42.59 1xn7 n LEU 71 CO 0.47 -3.35 1.27 -0.13 -1.51 0.00 0.00 177.39 174.14 1xn7 s ARG 72 N -3.80 1.98 0.20 3.23 0.52 -1.26 -4.87 118.95 114.95 1xn7 s ARG 72 Ca 0.59 -0.09 -0.31 0.00 -0.52 0.00 0.00 55.73 55.39 1xn7 s ARG 72 Cb -0.21 -4.96 -0.11 0.00 0.52 0.00 0.00 34.95 30.20 1xn7 s ARG 72 CO 0.66 -4.16 1.61 -1.21 0.02 0.00 0.00 175.30 172.21 1xn7 s GLU 73 N 7.90 4.18 0.45 3.54 0.41 -1.26 -3.98 118.70 129.94 1xn7 s GLU 73 Ca 0.80 2.45 0.08 0.00 -0.41 0.00 0.00 54.97 57.90 1xn7 s GLU 73 Cb -0.08 -3.11 0.02 0.00 -1.78 0.00 0.00 34.13 29.18 1xn7 s GLU 73 CO 0.07 -0.64 0.61 -1.58 -0.49 0.00 0.00 175.26 173.23 1xn7 s TRP 74 N 0.92 2.60 0.09 1.61 0.51 0.50 -4.82 118.94 120.34 1xn7 s TRP 74 Ca 0.70 -0.44 0.07 0.00 -2.12 0.00 0.00 56.10 54.31 1xn7 s TRP 74 Cb -0.46 -2.36 -0.03 0.00 -0.81 0.00 0.00 33.47 29.80 1xn7 s TRP 74 CO 0.34 -0.54 -0.19 -1.58 -0.51 0.00 0.00 176.95 174.47 1xn7 s TRP 75 N -2.41 1.64 0.37 -1.98 0.52 -1.09 0.15 118.94 116.15 1xn7 s TRP 75 Ca 0.56 -0.43 -0.10 0.00 0.02 0.00 0.00 56.10 56.15 1xn7 s TRP 75 Cb -0.09 -0.91 0.03 0.00 -1.15 0.00 0.00 33.47 31.36 1xn7 s TRP 75 CO 0.34 0.17 0.67 0.00 0.02 0.00 0.00 176.95 178.14 1xn7 s ALA 76 N -1.18 -0.11 0.40 0.98 0.00 -0.52 -1.15 121.76 120.18 1xn7 s ALA 76 Ca 0.04 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1xn7 s ALA 76 Cb -0.10 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 1xn7 s ALA 76 CO 0.04 -0.91 0.62 -0.51 0.00 0.00 0.00 175.76 174.99 1xn7 s LEU 77 N -3.14 3.82 0.00 0.00 1.43 -1.26 -0.39 118.68 119.13 1xn7 s LEU 77 Ca 0.22 0.38 0.28 0.00 -1.03 0.00 0.00 54.13 53.97 1xn7 s LEU 77 Cb -0.03 -3.26 1.00 0.00 0.03 0.00 0.00 46.19 43.93 1xn7 s LEU 77 CO 0.15 -0.50 1.71 -1.14 0.23 0.00 0.00 176.35 176.80