#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o97 n ASN 2 N 0.00 1.90 -0.05 6.12 0.23 -1.26 -4.95 115.26 117.24 2o97 n ASN 2 Ca 0.00 -2.21 -0.10 0.00 -0.53 0.00 0.00 54.58 51.74 2o97 n ASN 2 Cb 0.00 -0.14 -0.04 0.00 -2.08 0.00 0.00 39.78 37.52 2o97 n ASN 2 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2o97 h LYS 3 N 0.00 0.28 -0.45 -3.83 3.64 -2.05 -1.57 116.57 112.59 2o97 h LYS 3 Ca -0.22 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.17 2o97 h LYS 3 Cb 0.88 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.60 2o97 h LYS 3 CO 0.33 0.22 0.24 1.15 -2.27 0.00 0.00 179.45 179.12 2o97 h THR 4 N 0.25 0.99 -0.68 1.00 2.02 -1.99 -0.18 112.91 114.32 2o97 h THR 4 Ca 0.07 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 2o97 h THR 4 Cb 0.01 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 2o97 h THR 4 CO -0.01 0.09 0.29 1.56 0.37 0.00 0.00 175.52 177.81 2o97 h GLN 5 N 0.47 0.98 -0.48 6.66 4.20 -1.92 -1.35 115.11 123.68 2o97 h GLN 5 Ca 0.19 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 2o97 h GLN 5 Cb 0.07 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 2o97 h GLN 5 CO -0.12 0.79 0.00 1.25 -0.67 0.00 0.00 178.83 180.08 2o97 h LEU 6 N 0.97 0.82 -0.33 1.46 5.85 -0.72 -1.96 115.31 121.41 2o97 h LEU 6 Ca 0.23 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2o97 h LEU 6 Cb 0.16 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2o97 h LEU 6 CO -0.02 0.93 0.17 0.40 -0.34 0.00 0.00 178.44 179.57 2o97 h ILE 7 N 0.69 1.15 -0.61 4.05 2.04 -0.64 0.57 117.51 124.77 2o97 h ILE 7 Ca 0.14 -0.40 0.12 0.00 1.00 0.00 0.00 64.86 65.72 2o97 h ILE 7 Cb 0.50 0.81 -0.09 0.00 -0.74 0.00 0.00 36.82 37.30 2o97 h ILE 7 CO 0.02 0.15 0.09 0.44 0.00 0.00 0.00 178.15 178.86 2o97 h ASP 8 N 0.40 -0.08 -0.44 1.72 3.32 -1.10 0.14 116.42 120.38 2o97 h ASP 8 Ca 0.11 0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 2o97 h ASP 8 Cb 0.09 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 2o97 h ASP 8 CO -0.02 -0.03 0.07 0.58 -1.72 0.00 0.00 179.24 178.12 2o97 h VAL 9 N 0.22 1.25 -0.55 -1.35 2.07 -0.86 -2.01 116.25 115.02 2o97 h VAL 9 Ca 0.32 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 2o97 h VAL 9 Cb 0.50 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2o97 h VAL 9 CO -0.44 0.31 0.28 0.40 0.02 0.00 0.00 177.57 178.14 2o97 h ILE 10 N 0.60 1.19 -1.00 4.57 2.04 -0.51 -1.33 117.51 123.08 2o97 h ILE 10 Ca 0.14 -0.51 0.08 0.00 1.00 0.00 0.00 64.86 65.57 2o97 h ILE 10 Cb 0.38 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 2o97 h ILE 10 CO 0.01 0.21 0.64 0.00 0.00 0.00 0.00 178.15 179.01 2o97 h ALA 11 N 1.12 1.45 0.24 1.87 0.00 -0.59 0.05 119.26 123.39 2o97 h ALA 11 Ca 0.19 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.77 2o97 h ALA 11 Cb 0.08 -0.27 0.03 0.00 0.00 0.00 0.00 17.79 17.63 2o97 h ALA 11 CO -0.03 0.36 -1.46 0.93 0.00 0.00 0.00 179.25 179.06 2o97 h GLU 12 N 1.11 0.50 0.17 0.00 5.08 -1.05 -0.50 114.58 119.88 2o97 h GLU 12 Ca 0.45 -0.85 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 2o97 h GLU 12 Cb 0.28 0.32 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2o97 h GLU 12 CO -0.20 1.41 -0.08 0.87 -1.00 0.00 0.00 179.01 180.01 2o97 h LYS 13 N 0.09 -0.22 -0.07 2.33 1.57 -1.19 -3.22 116.57 115.86 2o97 h LYS 13 Ca -0.26 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2o97 h LYS 13 Cb 2.11 0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.47 2o97 h LYS 13 CO 0.25 0.02 0.00 0.00 -0.57 0.00 0.00 179.45 179.15 2o97 n ALA 14 N -2.30 2.57 -3.63 3.86 0.00 -0.00 -4.94 120.51 116.07 2o97 n ALA 14 Ca -0.09 -0.35 -0.24 0.00 0.00 0.00 0.00 53.44 52.76 2o97 n ALA 14 Cb 0.19 -1.21 0.07 0.00 0.00 0.00 0.00 19.45 18.50 2o97 n ALA 14 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2o97 n GLU 15 N -0.20 -7.53 -4.28 0.00 4.07 -0.70 -5.00 120.64 107.01 2o97 n GLU 15 Ca 0.17 0.80 -0.24 0.00 -0.06 0.00 0.00 57.16 57.83 2o97 n GLU 15 Cb 0.22 -5.83 -0.08 0.00 -0.06 0.00 0.00 31.44 25.70 2o97 n GLU 15 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2o97 s LEU 16 N -7.23 3.08 0.88 4.31 1.43 -0.28 -5.03 118.68 115.84 2o97 s LEU 16 Ca 0.54 -0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 2o97 s LEU 16 Cb -0.24 -1.53 0.12 0.00 0.03 0.00 0.00 46.19 44.56 2o97 s LEU 16 CO 0.74 -0.16 1.11 -0.94 0.23 0.00 0.00 176.35 177.34 2o97 s SER 17 N -3.72 3.43 0.19 2.29 1.04 -1.26 -4.64 113.70 111.03 2o97 s SER 17 Ca 0.34 1.92 -0.13 0.00 0.48 0.00 0.00 55.95 58.56 2o97 s SER 17 Cb -0.03 -2.48 0.19 0.00 0.10 0.00 0.00 66.02 63.80 2o97 s SER 17 CO 0.20 -2.73 1.72 0.11 0.98 0.00 0.00 173.24 173.51 2o97 h LYS 18 N -1.61 0.23 -0.58 4.02 1.57 -1.94 -2.20 116.57 116.06 2o97 h LYS 18 Ca -0.45 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.43 2o97 h LYS 18 Cb 1.26 -0.05 -0.10 0.00 0.08 0.00 0.00 32.23 33.42 2o97 h LYS 18 CO 0.47 0.15 -0.07 1.15 -0.57 0.00 0.00 179.45 180.59 2o97 h THR 19 N 0.23 0.48 -0.23 -0.16 2.02 -1.99 -1.94 112.91 111.32 2o97 h THR 19 Ca 0.25 -0.02 -0.08 0.00 0.77 0.00 0.00 66.41 67.33 2o97 h THR 19 Cb 0.33 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2o97 h THR 19 CO -0.32 0.01 -0.17 1.56 0.37 0.00 0.00 175.52 176.97 2o97 h GLN 20 N 0.06 0.51 -0.47 6.66 4.20 -1.87 0.47 115.11 124.68 2o97 h GLN 20 Ca 0.29 -0.25 0.03 0.00 0.06 0.00 0.00 58.65 58.78 2o97 h GLN 20 Cb 0.46 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 2o97 h GLN 20 CO -0.54 0.82 0.25 0.00 -0.67 0.00 0.00 178.83 178.69 2o97 h ALA 21 N 0.69 0.59 0.18 3.87 0.00 -1.22 0.74 119.26 124.10 2o97 h ALA 21 Ca 0.04 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2o97 h ALA 21 Cb 0.70 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2o97 h ALA 21 CO 0.04 -0.08 -0.34 -0.22 0.00 0.00 0.00 179.25 178.66 2o97 h LYS 22 N 0.51 -0.58 -0.98 0.00 1.63 -1.26 0.38 116.57 116.27 2o97 h LYS 22 Ca 0.19 0.04 0.10 0.00 -0.85 0.00 0.00 60.65 60.14 2o97 h LYS 22 Cb 0.07 0.13 -0.08 0.00 -0.60 0.00 0.00 32.23 31.75 2o97 h LYS 22 CO -0.12 -0.39 0.62 0.00 -3.45 0.00 0.00 179.45 176.12 2o97 h ALA 23 N -0.01 1.53 -0.11 5.00 0.00 -0.59 0.47 119.26 125.55 2o97 h ALA 23 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2o97 h ALA 23 Cb 0.61 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2o97 h ALA 23 CO -0.16 0.26 -0.32 0.00 0.00 0.00 0.00 179.25 179.02 2o97 h ALA 24 N 1.53 0.19 -0.00 0.00 0.00 0.12 -1.97 119.26 119.13 2o97 h ALA 24 Ca 0.46 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2o97 h ALA 24 Cb 0.41 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2o97 h ALA 24 CO -0.22 0.24 -0.00 1.25 0.00 0.00 0.00 179.25 180.51 2o97 h LEU 25 N -0.01 -0.01 -0.44 0.00 5.85 -0.08 -0.41 115.31 120.21 2o97 h LEU 25 Ca -0.01 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.80 2o97 h LEU 25 Cb 0.94 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.89 2o97 h LEU 25 CO 0.07 -0.00 -0.11 -0.33 -0.34 0.00 0.00 178.44 177.73 2o97 h GLU 26 N -0.00 0.00 0.14 1.25 4.39 -0.94 0.24 114.58 119.65 2o97 h GLU 26 Ca 0.00 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2o97 h GLU 26 Cb 0.00 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2o97 h GLU 26 CO -0.00 0.00 -0.20 0.77 -1.16 0.00 0.00 179.01 178.42 2o97 h SER 27 N 0.00 -0.54 -0.38 1.42 0.02 -1.22 0.38 113.55 113.23 2o97 h SER 27 Ca 0.21 0.06 0.08 0.00 -0.84 0.00 0.00 61.79 61.30 2o97 h SER 27 Cb 0.32 0.20 -0.08 0.00 0.14 0.00 0.00 62.40 62.99 2o97 h SER 27 CO -0.46 -0.28 -0.12 0.74 -1.14 0.00 0.00 176.83 175.57 2o97 h THR 28 N -0.39 0.57 -0.68 -2.27 2.02 -0.24 0.79 112.91 112.71 2o97 h THR 28 Ca 0.02 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.12 2o97 h THR 28 Cb 0.39 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 2o97 h THR 28 CO -0.09 0.00 0.12 -0.07 0.37 0.00 0.00 175.52 175.86 2o97 h LEU 29 N -0.03 1.07 -0.94 2.58 3.38 -0.15 -1.98 115.31 119.24 2o97 h LEU 29 Ca 0.19 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2o97 h LEU 29 Cb 0.32 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2o97 h LEU 29 CO -0.41 1.05 0.16 0.00 0.09 0.00 0.00 178.44 179.33 2o97 h ALA 30 N 1.06 1.14 0.32 1.53 0.00 0.42 -2.12 119.26 121.61 2o97 h ALA 30 Ca 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2o97 h ALA 30 Cb 0.43 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2o97 h ALA 30 CO 0.01 0.59 -0.15 0.00 0.00 0.00 0.00 179.25 179.69 2o97 h ALA 31 N 1.27 -0.43 -0.78 0.00 0.00 -0.65 -1.26 119.26 117.41 2o97 h ALA 31 Ca 0.20 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.08 2o97 h ALA 31 Cb 0.31 0.17 -0.15 0.00 0.00 0.00 0.00 17.79 18.11 2o97 h ALA 31 CO -0.00 -0.49 -0.17 0.82 0.00 0.00 0.00 179.25 179.41 2o97 h ILE 32 N -0.94 0.23 -0.95 0.00 2.04 -1.42 0.49 117.51 116.96 2o97 h ILE 32 Ca -0.04 -0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.87 2o97 h ILE 32 Cb 0.51 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 2o97 h ILE 32 CO 0.07 0.00 0.61 0.74 0.00 0.00 0.00 178.15 179.57 2o97 h THR 33 N 0.01 1.09 -0.11 -0.27 2.02 -1.26 -1.80 112.91 112.60 2o97 h THR 33 Ca 0.38 -0.38 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 2o97 h THR 33 Cb 0.60 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2o97 h THR 33 CO -0.79 0.20 -0.51 -0.33 0.37 0.00 0.00 175.52 174.47 2o97 h GLU 34 N 1.12 0.30 0.56 6.66 5.08 0.26 -2.22 114.58 126.34 2o97 h GLU 34 Ca 0.40 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 2o97 h GLU 34 Cb 0.13 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.40 2o97 h GLU 34 CO -0.16 0.74 -0.27 1.03 -1.00 0.00 0.00 179.01 179.35 2o97 h SER 35 N 0.23 -0.64 -0.47 1.42 0.87 -0.35 -3.16 113.55 111.46 2o97 h SER 35 Ca 0.01 -0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.57 2o97 h SER 35 Cb 0.98 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 63.08 2o97 h SER 35 CO 0.08 -0.35 0.31 -0.07 -0.53 0.00 0.00 176.83 176.27 2o97 h LEU 36 N -0.91 0.42 -0.98 2.23 -0.00 -1.34 -0.62 115.31 114.13 2o97 h LEU 36 Ca -0.08 -0.00 0.33 0.00 -0.00 0.00 0.00 57.88 58.12 2o97 h LEU 36 Cb 0.63 -0.10 -0.16 0.00 -0.00 0.00 0.00 40.66 41.04 2o97 h LEU 36 CO 0.13 0.29 0.45 0.11 -0.00 0.00 0.00 178.44 179.41 2o97 h LYS 37 N 0.49 0.19 0.00 1.13 1.57 -1.37 -0.64 116.57 117.94 2o97 h LYS 37 Ca 0.19 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.87 2o97 h LYS 37 Cb 0.16 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2o97 h LYS 37 CO -0.05 0.12 -1.17 0.93 -0.57 0.00 0.00 179.45 178.71 2o97 h GLU 38 N 0.19 0.00 0.00 3.15 5.08 -1.10 -3.48 114.58 118.43 2o97 h GLU 38 Ca 0.72 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.08 2o97 h GLU 38 Cb 1.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.92 2o97 h GLU 38 CO -0.69 0.18 0.00 0.41 -1.00 0.00 0.00 179.01 177.91 2o97 n GLY 39 N 1.30 0.95 3.66 -3.84 0.00 -0.25 -5.08 105.19 101.93 2o97 n GLY 39 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 2o97 n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2o97 s ASP 40 N -1.94 6.86 0.29 1.61 2.15 -0.93 -4.71 116.67 120.00 2o97 s ASP 40 Ca 0.00 1.05 -0.29 0.00 0.43 0.00 0.00 52.55 53.74 2o97 s ASP 40 Cb 0.00 -2.42 -0.10 0.00 -0.30 0.00 0.00 42.92 40.10 2o97 s ASP 40 CO 0.00 -0.39 1.16 0.00 -0.17 0.00 0.00 175.17 175.78 2o97 s ALA 41 N 2.22 3.44 -0.43 3.66 0.00 -1.26 -3.49 121.76 125.89 2o97 s ALA 41 Ca 0.35 1.00 -0.13 0.00 0.00 0.00 0.00 51.96 53.18 2o97 s ALA 41 Cb -0.16 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.65 2o97 s ALA 41 CO 0.11 -0.31 0.32 0.08 0.00 0.00 0.00 175.76 175.96 2o97 s VAL 42 N -1.07 4.86 -0.27 0.00 1.01 0.18 -4.95 120.40 120.16 2o97 s VAL 42 Ca 0.46 -1.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.18 2o97 s VAL 42 Cb -0.34 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 2o97 s VAL 42 CO 0.44 -0.47 0.55 -1.10 0.00 0.00 0.00 175.10 174.52 2o97 s GLN 43 N 1.57 4.01 -0.48 2.72 -0.21 -1.26 -0.46 119.66 125.55 2o97 s GLN 43 Ca 0.04 0.32 -0.01 0.00 0.02 0.00 0.00 55.36 55.72 2o97 s GLN 43 Cb -0.22 -3.68 0.13 0.00 1.00 0.00 0.00 33.01 30.24 2o97 s GLN 43 CO 0.06 -0.42 0.26 -0.51 -2.12 0.00 0.00 175.29 172.56 2o97 s LEU 44 N 2.40 5.09 0.52 2.90 1.43 -0.29 -5.03 118.68 125.70 2o97 s LEU 44 Ca 0.22 -2.41 -0.22 0.00 -1.03 0.00 0.00 54.13 50.69 2o97 s LEU 44 Cb -0.15 -1.79 -0.06 0.00 0.03 0.00 0.00 46.19 44.21 2o97 s LEU 44 CO 0.10 -0.44 1.21 0.52 0.23 0.00 0.00 176.35 177.97 2o97 n VAL 45 N 4.04 3.42 -2.92 -1.59 0.31 -1.26 -0.72 118.33 119.61 2o97 n VAL 45 Ca 0.02 -0.50 -0.21 0.00 -0.01 0.00 0.00 64.34 63.64 2o97 n VAL 45 Cb 0.39 -1.46 0.02 0.00 -0.91 0.00 0.00 33.84 31.88 2o97 n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2o97 n GLY 46 N 0.94 -0.51 2.05 2.92 0.00 -1.26 -4.70 105.19 104.63 2o97 n GLY 46 Ca 0.10 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2o97 n GLY 46 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2o97 n PHE 47 N -4.22 -2.35 -0.65 1.61 7.35 -0.81 -4.65 117.46 113.75 2o97 n PHE 47 Ca -0.12 0.42 0.00 0.00 -0.76 0.00 0.00 57.45 56.99 2o97 n PHE 47 Cb 0.62 1.29 0.00 0.00 0.35 0.00 0.00 39.48 41.74 2o97 n PHE 47 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2o97 n GLY 48 N -0.26 -2.69 3.10 7.13 0.00 0.10 -0.27 105.19 112.30 2o97 n GLY 48 Ca 0.00 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 2o97 n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2o97 s THR 49 N -2.16 1.63 -0.24 2.61 2.01 0.35 -1.14 115.64 118.71 2o97 s THR 49 Ca 0.00 -0.74 -0.17 0.00 0.31 0.00 0.00 61.69 61.09 2o97 s THR 49 Cb 0.00 -1.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 2o97 s THR 49 CO 0.00 0.47 0.46 -0.36 -0.69 0.00 0.00 174.62 174.50 2o97 s PHE 50 N 0.82 3.31 0.27 4.92 0.40 0.39 0.29 117.98 128.38 2o97 s PHE 50 Ca -0.10 0.62 0.02 0.00 -0.60 0.00 0.00 56.93 56.87 2o97 s PHE 50 Cb -0.16 -2.64 -0.05 0.00 0.51 0.00 0.00 43.02 40.68 2o97 s PHE 50 CO 0.01 -0.18 0.08 -1.59 0.70 0.00 0.00 175.22 174.25 2o97 s LYS 51 N 1.91 1.46 0.01 0.44 -2.85 0.13 0.49 119.74 121.33 2o97 s LYS 51 Ca 0.20 -1.79 0.06 0.00 -1.00 0.00 0.00 55.97 53.44 2o97 s LYS 51 Cb -0.15 -0.41 -0.02 0.00 -2.06 0.00 0.00 37.83 35.18 2o97 s LYS 51 CO 0.09 -0.26 -0.18 0.54 0.10 0.00 0.00 175.35 175.64 2o97 s VAL 52 N -3.64 1.43 -0.27 1.79 0.11 -1.26 0.10 120.40 118.67 2o97 s VAL 52 Ca 0.37 -0.94 -0.07 0.00 -2.93 0.00 0.00 61.98 58.41 2o97 s VAL 52 Cb 0.08 -1.23 -0.01 0.00 -1.53 0.00 0.00 36.38 33.69 2o97 s VAL 52 CO 0.14 0.27 0.07 0.20 -3.33 0.00 0.00 175.10 172.45 2o97 s ASN 53 N -0.79 5.12 -0.31 3.54 0.01 -0.70 -4.92 114.94 116.89 2o97 s ASN 53 Ca 0.06 -0.39 -0.24 0.00 -0.71 0.00 0.00 52.86 51.57 2o97 s ASN 53 Cb -0.08 -1.91 0.00 0.00 0.41 0.00 0.00 41.25 39.68 2o97 s ASN 53 CO 0.00 -0.10 0.83 -2.28 -1.51 0.00 0.00 177.10 174.05 2o97 s HIS 54 N 1.57 3.19 -0.66 2.20 5.65 -1.26 -2.21 115.29 123.79 2o97 s HIS 54 Ca 0.05 0.86 0.05 0.00 0.25 0.00 0.00 55.06 56.27 2o97 s HIS 54 Cb -0.16 -3.29 0.16 0.00 -1.18 0.00 0.00 32.58 28.11 2o97 s HIS 54 CO 0.03 -0.60 0.43 1.21 -0.65 0.00 0.00 174.74 175.16 2o97 s ASN 75 N 1.63 4.70 -0.18 9.88 3.84 -1.26 -5.18 114.94 128.36 2o97 s ASN 75 Ca 0.34 -3.62 -0.01 0.00 0.21 0.00 0.00 52.86 49.78 2o97 s ASN 75 Cb -0.14 -1.64 0.00 0.00 -0.55 0.00 0.00 41.25 38.92 2o97 s ASN 75 CO 0.13 -0.13 -0.13 0.68 -2.79 0.00 0.00 177.10 174.87 2o97 s VAL 76 N -1.14 2.74 0.66 -5.21 -7.23 -0.94 -5.10 120.40 104.19 2o97 s VAL 76 Ca 0.23 -0.72 -0.13 0.00 -1.81 0.00 0.00 61.98 59.54 2o97 s VAL 76 Cb -0.11 -2.19 -0.00 0.00 0.56 0.00 0.00 36.38 34.64 2o97 s VAL 76 CO -0.12 0.49 1.08 -2.16 -0.31 0.00 0.00 175.10 174.08 2o97 s PRO 77 N 1.17 2.92 -0.02 4.82 0.04 -1.26 -1.73 135.00 140.94 2o97 s PRO 77 Ca 0.01 1.18 -0.21 0.00 0.04 0.00 0.00 61.00 62.02 2o97 s PRO 77 Cb -0.14 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.46 2o97 s PRO 77 CO -0.05 -1.13 0.47 0.00 0.04 0.00 0.00 177.00 176.33 2o97 s ALA 78 N -2.65 -1.19 -0.07 8.56 0.00 0.28 -4.86 121.76 121.83 2o97 s ALA 78 Ca 0.63 0.70 0.02 0.00 0.00 0.00 0.00 51.96 53.30 2o97 s ALA 78 Cb -0.17 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.06 2o97 s ALA 78 CO 0.46 -0.33 -0.12 0.12 0.00 0.00 0.00 175.76 175.89 2o97 s PHE 79 N -1.46 1.41 -0.24 0.00 5.36 -1.26 0.19 117.98 121.98 2o97 s PHE 79 Ca -0.11 -0.52 -0.02 0.00 -0.96 0.00 0.00 56.93 55.32 2o97 s PHE 79 Cb -0.03 -1.05 0.02 0.00 -0.34 0.00 0.00 43.02 41.63 2o97 s PHE 79 CO 0.05 -0.28 -0.07 0.08 -1.46 0.00 0.00 175.22 173.55 2o97 s VAL 80 N 0.71 2.87 0.14 3.12 1.01 0.15 -4.93 120.40 123.46 2o97 s VAL 80 Ca -0.14 -0.96 -0.28 0.00 0.00 0.00 0.00 61.98 60.60 2o97 s VAL 80 Cb -0.16 -2.42 -0.07 0.00 0.00 0.00 0.00 36.38 33.73 2o97 s VAL 80 CO 0.03 0.25 0.89 -0.94 0.00 0.00 0.00 175.10 175.32 2o97 s SER 81 N 1.34 7.46 0.69 3.32 1.04 -1.26 0.13 113.70 126.42 2o97 s SER 81 Ca 0.01 1.74 -0.14 0.00 0.48 0.00 0.00 55.95 58.04 2o97 s SER 81 Cb -0.16 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.42 2o97 s SER 81 CO -0.05 0.05 1.12 -0.83 0.98 0.00 0.00 173.24 174.52 2o97 s GLY 82 N -0.50 2.10 0.29 7.32 0.00 0.63 -4.84 107.32 112.32 2o97 s GLY 82 Ca 0.42 0.56 0.03 0.00 0.00 0.00 0.00 44.72 45.73 2o97 s GLY 82 CO 0.28 0.92 1.66 1.70 0.00 0.00 0.00 173.10 177.67 2o97 h LYS 83 N -0.23 0.27 -0.74 2.90 1.63 -1.97 -1.59 116.57 116.85 2o97 h LYS 83 Ca -0.46 -0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.40 2o97 h LYS 83 Cb 1.25 -0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 32.76 2o97 h LYS 83 CO 0.53 0.18 0.40 0.00 -3.45 0.00 0.00 179.45 177.10 2o97 h ALA 84 N 1.76 1.02 -0.05 5.00 0.00 -1.89 -0.35 119.26 124.75 2o97 h ALA 84 Ca 0.56 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.40 2o97 h ALA 84 Cb 1.12 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2o97 h ALA 84 CO -0.61 0.04 -0.36 1.25 0.00 0.00 0.00 179.25 179.57 2o97 h LEU 85 N 0.70 0.40 -0.75 0.00 5.85 -1.54 -2.82 115.31 117.14 2o97 h LEU 85 Ca 0.35 -0.69 0.15 0.00 0.84 0.00 0.00 57.88 58.53 2o97 h LEU 85 Cb 0.30 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.11 2o97 h LEU 85 CO -0.23 1.03 0.27 0.11 -0.34 0.00 0.00 178.44 179.28 2o97 h LYS 86 N -0.19 0.38 0.00 1.25 1.57 -1.13 -1.50 116.57 116.95 2o97 h LYS 86 Ca -0.03 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 2o97 h LYS 86 Cb 1.04 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 2o97 h LYS 86 CO 0.07 0.25 -0.32 -0.44 -0.57 0.00 0.00 179.45 178.44 2o97 h ASP 87 N 0.39 0.00 0.62 0.86 3.32 -1.00 -2.59 116.42 118.01 2o97 h ASP 87 Ca 0.42 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.45 2o97 h ASP 87 Cb 0.67 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 2o97 h ASP 87 CO -0.44 0.32 -0.09 0.00 -1.72 0.00 0.00 179.24 177.32 2o97 h ALA 88 N 1.68 1.10 0.00 3.45 0.00 -1.01 -3.30 119.26 121.18 2o97 h ALA 88 Ca -0.00 -0.08 -0.28 0.00 0.00 0.00 0.00 54.91 54.55 2o97 h ALA 88 Cb 0.65 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 2o97 h ALA 88 CO 0.04 0.11 -2.16 0.28 0.00 0.00 0.00 179.25 177.52 2o97 n VAL 89 N -3.34 1.05 0.00 0.00 0.31 -0.99 -5.13 118.33 110.23 2o97 n VAL 89 Ca -0.01 -0.70 0.00 0.00 -0.01 0.00 0.00 64.34 63.62 2o97 n VAL 89 Cb 0.27 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 2o97 n VAL 89 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80