#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v96 s LEU 3 N 0.00 2.38 1.02 1.53 1.43 -1.26 -5.13 118.68 118.65 1v96 s LEU 3 Ca 0.00 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 1v96 s LEU 3 Cb 0.00 -1.46 0.20 0.00 0.03 0.00 0.00 46.19 44.96 1v96 s LEU 3 CO 0.00 0.29 1.08 -2.16 0.23 0.00 0.00 176.35 175.79 1v96 s PRO 4 N -0.41 0.24 0.25 1.29 0.04 -1.26 -4.97 135.00 130.19 1v96 s PRO 4 Ca 0.04 0.66 0.04 0.00 0.04 0.00 0.00 61.00 61.78 1v96 s PRO 4 Cb -0.12 -1.70 0.31 0.00 0.04 0.00 0.00 34.50 33.03 1v96 s PRO 4 CO 0.02 -2.89 1.61 -1.35 0.04 0.00 0.00 177.00 174.42 1v96 h PRO 5 N -2.02 0.30 -5.23 0.56 0.11 -1.94 -3.43 132.00 120.36 1v96 h PRO 5 Ca -0.55 -0.17 -0.64 0.00 0.11 0.00 0.00 66.00 64.74 1v96 h PRO 5 Cb 1.32 0.01 -0.23 0.00 0.11 0.00 0.00 31.00 32.21 1v96 h PRO 5 CO 0.55 0.74 -0.68 -0.51 -0.21 0.00 0.00 178.00 177.89 1v96 s ASP 6 N -6.89 4.65 0.18 -2.05 1.01 -1.26 -1.22 116.67 111.09 1v96 s ASP 6 Ca -0.05 -0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.01 1v96 s ASP 6 Cb 0.12 -1.77 -0.04 0.00 1.01 0.00 0.00 42.92 42.25 1v96 s ASP 6 CO 0.79 0.12 0.06 0.27 0.21 0.00 0.00 175.17 176.63 1v96 s ILE 7 N 0.64 0.32 0.15 0.77 -4.36 -0.64 -1.91 121.20 116.18 1v96 s ILE 7 Ca -0.03 -1.96 -0.11 0.00 -0.26 0.00 0.00 60.65 58.29 1v96 s ILE 7 Cb -0.14 -2.26 0.00 0.00 1.25 0.00 0.00 42.46 41.30 1v96 s ILE 7 CO 0.02 -0.29 0.31 0.28 0.24 0.00 0.00 174.94 175.50 1v96 s THR 8 N -3.91 0.08 0.11 8.37 -1.32 -0.27 -0.98 115.64 117.72 1v96 s THR 8 Ca 0.29 -1.15 0.07 0.00 -1.21 0.00 0.00 61.69 59.69 1v96 s THR 8 Cb 0.07 -1.61 -0.04 0.00 -1.51 0.00 0.00 72.50 69.42 1v96 s THR 8 CO 0.07 -0.35 -0.18 -0.36 -2.21 0.00 0.00 174.62 171.59 1v96 s PHE 9 N -3.91 1.60 0.58 9.09 0.08 -1.26 -0.93 117.98 123.24 1v96 s PHE 9 Ca 0.11 -0.46 0.03 0.00 0.12 0.00 0.00 56.93 56.73 1v96 s PHE 9 Cb 0.03 -0.86 0.11 0.00 -0.57 0.00 0.00 43.02 41.73 1v96 s PHE 9 CO -0.04 0.19 0.80 -0.40 -0.10 0.00 0.00 175.22 175.67 1v96 n ASP 10 N 0.85 1.38 0.06 1.36 5.68 -1.22 -4.79 116.55 119.87 1v96 n ASP 10 Ca -0.18 -2.09 -0.12 0.00 -0.50 0.00 0.00 54.79 51.90 1v96 n ASP 10 Cb 0.55 -0.49 -0.05 0.00 -1.14 0.00 0.00 41.12 39.98 1v96 n ASP 10 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1v96 h SER 11 N -0.31 -1.01 -0.80 -1.12 0.02 -1.95 -1.32 113.55 107.06 1v96 h SER 11 Ca -0.27 0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 1v96 h SER 11 Cb 1.06 0.41 -0.04 0.00 0.14 0.00 0.00 62.40 63.97 1v96 h SER 11 CO 0.31 -0.40 0.37 0.25 -1.14 0.00 0.00 176.83 176.22 1v96 h LEU 12 N -0.49 1.06 -1.09 5.07 5.85 -1.98 -2.06 115.31 121.67 1v96 h LEU 12 Ca 0.06 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 1v96 h LEU 12 Cb 0.58 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1v96 h LEU 12 CO -0.28 0.91 0.01 0.00 -0.34 0.00 0.00 178.44 178.75 1v96 h ALA 13 N 1.25 1.26 -0.45 1.25 0.00 -1.83 -2.49 119.26 118.25 1v96 h ALA 13 Ca 0.27 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1v96 h ALA 13 Cb 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1v96 h ALA 13 CO -0.03 0.50 -0.00 1.25 0.00 0.00 0.00 179.25 180.96 1v96 h LEU 14 N 0.62 0.78 -0.41 0.00 5.85 -0.59 -0.81 115.31 120.75 1v96 h LEU 14 Ca 0.13 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.59 1v96 h LEU 14 Cb 0.37 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 1v96 h LEU 14 CO 0.01 0.90 0.13 0.40 -0.34 0.00 0.00 178.44 179.54 1v96 h ILE 15 N 0.64 0.85 -0.66 4.05 1.08 -1.18 -1.84 117.51 120.45 1v96 h ILE 15 Ca 0.13 -0.10 -0.07 0.00 -0.39 0.00 0.00 64.86 64.43 1v96 h ILE 15 Cb 0.50 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 34.77 1v96 h ILE 15 CO 0.02 0.05 0.14 0.11 -0.69 0.00 0.00 178.15 177.78 1v96 h LYS 16 N 0.28 1.07 0.00 2.37 1.57 -1.28 -2.49 116.57 118.09 1v96 h LYS 16 Ca 0.19 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1v96 h LYS 16 Cb 0.19 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1v96 h LYS 16 CO -0.21 0.97 -0.09 0.52 -0.57 0.00 0.00 179.45 180.07 1v96 h MET 17 N 1.00 0.00 -0.46 3.15 2.86 -0.41 -1.76 114.93 119.30 1v96 h MET 17 Ca 0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1v96 h MET 17 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1v96 h MET 17 CO 0.01 0.09 0.00 0.72 1.06 0.00 0.00 176.91 178.79 1v96 n HIS 18 N -3.57 0.60 -1.75 -0.22 8.25 -0.76 -4.62 115.22 113.15 1v96 n HIS 18 Ca -0.02 -0.30 -0.32 0.00 -0.26 0.00 0.00 57.72 56.83 1v96 n HIS 18 Cb 0.22 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.37 1v96 n HIS 18 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1v96 s SER 19 N -1.37 5.47 0.19 0.41 1.04 -0.66 -4.95 113.70 113.84 1v96 s SER 19 Ca 0.40 1.73 -0.14 0.00 0.48 0.00 0.00 55.95 58.42 1v96 s SER 19 Cb 0.23 -2.51 0.19 0.00 0.10 0.00 0.00 66.02 64.03 1v96 s SER 19 CO 0.31 -1.38 1.68 0.06 0.98 0.00 0.00 173.24 174.89 1v96 h GLN 20 N -0.25 0.09 -0.73 4.02 3.07 -1.93 -2.20 115.11 117.19 1v96 h GLN 20 Ca -0.45 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.28 1v96 h GLN 20 Cb 1.22 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.76 1v96 h GLN 20 CO 0.57 0.06 0.00 0.27 0.09 0.00 0.00 178.83 179.82 1v96 n ASN 21 N -5.25 1.58 0.00 0.06 2.04 -1.26 -3.08 115.26 109.35 1v96 n ASN 21 Ca 0.06 -2.13 0.00 0.00 -0.44 0.00 0.00 54.58 52.07 1v96 n ASN 21 Cb 0.28 -0.43 0.00 0.00 -2.53 0.00 0.00 39.78 37.10 1v96 n ASN 21 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 1v96 n MET 22 N 0.06 0.43 -0.25 -3.83 2.81 -0.83 -4.79 117.12 110.71 1v96 n MET 22 Ca 0.05 -0.80 0.06 0.00 -1.81 0.00 0.00 57.70 55.20 1v96 n MET 22 Cb 0.35 -0.95 0.19 0.00 -0.71 0.00 0.00 33.22 32.10 1v96 n MET 22 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1v96 h LYS 23 N 0.00 0.32 -0.39 0.03 3.11 -1.54 -0.84 116.57 117.25 1v96 h LYS 23 Ca 0.00 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.79 1v96 h LYS 23 Cb 0.24 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.38 1v96 h LYS 23 CO 0.00 0.21 0.13 -0.09 -2.81 0.00 0.00 179.45 176.89 1v96 h ARG 24 N 0.33 0.60 -0.34 1.90 1.12 -1.87 -2.96 114.38 113.16 1v96 h ARG 24 Ca 0.42 -0.13 -0.07 0.00 -1.11 0.00 0.00 59.98 59.09 1v96 h ARG 24 Cb 0.70 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.55 1v96 h ARG 24 CO -0.47 0.60 -0.09 0.82 -3.11 0.00 0.00 179.97 177.72 1v96 h ILE 25 N 0.49 1.23 0.54 1.20 1.08 -1.70 -2.64 117.51 117.70 1v96 h ILE 25 Ca 0.13 -1.00 -0.03 0.00 -0.39 0.00 0.00 64.86 63.57 1v96 h ILE 25 Cb 0.25 1.07 0.01 0.00 -3.07 0.00 0.00 36.82 35.07 1v96 h ILE 25 CO -0.01 0.33 -0.26 0.25 -0.69 0.00 0.00 178.15 177.78 1v96 h LEU 26 N 0.53 -0.61 -1.11 1.44 5.85 -1.08 -2.06 115.31 118.27 1v96 h LEU 26 Ca 0.10 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1v96 h LEU 26 Cb 0.47 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1v96 h LEU 26 CO 0.03 -0.39 0.00 -0.08 -0.34 0.00 0.00 178.44 177.66 1v96 h GLU 27 N -0.79 0.00 -0.01 1.25 4.22 -1.47 -0.21 114.58 117.57 1v96 h GLU 27 Ca -0.07 0.00 -0.18 0.00 0.08 0.00 0.00 59.36 59.19 1v96 h GLU 27 Cb 0.58 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1v96 h GLU 27 CO 0.12 0.00 -0.79 0.28 -2.18 0.00 0.00 179.01 176.44 1v96 h VAL 28 N 0.00 1.50 -0.16 0.32 2.07 -1.33 -2.55 116.25 116.10 1v96 h VAL 28 Ca 0.00 -2.52 -0.04 0.00 0.82 0.00 0.00 66.70 64.96 1v96 h VAL 28 Cb 0.58 2.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1v96 h VAL 28 CO 0.00 0.73 -0.06 0.74 0.02 0.00 0.00 177.57 179.00 1v96 h THR 29 N 0.08 1.31 0.00 2.57 2.02 -0.64 -1.90 112.91 116.35 1v96 h THR 29 Ca -0.03 -1.08 -0.05 0.00 0.77 0.00 0.00 66.41 66.02 1v96 h THR 29 Cb 1.39 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 69.48 1v96 h THR 29 CO 0.12 0.32 -0.24 -0.07 0.37 0.00 0.00 175.52 176.02 1v96 h LEU 30 N 0.00 0.00 0.05 2.58 3.38 -1.07 0.13 115.31 120.39 1v96 h LEU 30 Ca 0.04 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.73 1v96 h LEU 30 Cb 0.52 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1v96 h LEU 30 CO 0.02 0.24 -1.46 0.00 0.09 0.00 0.00 178.44 177.33 1v96 h ALA 31 N 1.76 0.46 0.00 1.53 0.00 -1.41 -3.39 119.26 118.21 1v96 h ALA 31 Ca -0.00 -1.18 -0.22 0.00 0.00 0.00 0.00 54.91 53.51 1v96 h ALA 31 Cb 0.45 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1v96 h ALA 31 CO 0.03 1.32 -1.90 1.63 0.00 0.00 0.00 179.25 180.34 1v96 n LYS 32 N -3.30 0.65 -4.40 0.00 4.01 -0.72 -5.01 118.16 109.40 1v96 n LYS 32 Ca -0.13 0.07 -0.20 0.00 -0.51 0.00 0.00 58.31 57.54 1v96 n LYS 32 Cb 1.02 -1.65 -0.10 0.00 -0.51 0.00 0.00 35.03 33.78 1v96 n LYS 32 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 1v96 s PHE 33 N -2.85 1.84 -0.26 2.13 0.40 0.45 -4.96 117.98 114.73 1v96 s PHE 33 Ca -0.07 -0.74 -0.10 0.00 -0.60 0.00 0.00 56.93 55.42 1v96 s PHE 33 Cb 0.09 -1.04 -0.05 0.00 0.51 0.00 0.00 43.02 42.53 1v96 s PHE 33 CO 0.84 0.22 0.16 0.99 0.70 0.00 0.00 175.22 178.13 1v96 s THR 34 N -3.10 5.21 -0.29 0.64 2.01 -0.36 -4.56 115.64 115.19 1v96 s THR 34 Ca 0.28 0.13 -0.10 0.00 0.31 0.00 0.00 61.69 62.32 1v96 s THR 34 Cb 0.04 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 1v96 s THR 34 CO 0.11 0.29 0.15 -0.69 -0.69 0.00 0.00 174.62 173.79 1v96 s VAL 35 N 1.49 4.80 -0.61 3.82 1.01 -1.26 -1.61 120.40 128.03 1v96 s VAL 35 Ca 0.07 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.78 1v96 s VAL 35 Cb -0.15 -3.35 0.16 0.00 0.00 0.00 0.00 36.38 33.04 1v96 s VAL 35 CO 0.08 0.18 0.51 0.20 0.00 0.00 0.00 175.10 176.07 1v96 s ASN 36 N 1.67 6.01 -0.07 3.32 -0.87 -0.15 -1.15 114.94 123.70 1v96 s ASN 36 Ca 0.06 -2.27 -0.17 0.00 -1.57 0.00 0.00 52.86 48.90 1v96 s ASN 36 Cb -0.16 -2.08 -0.05 0.00 -0.02 0.00 0.00 41.25 38.94 1v96 s ASN 36 CO 0.07 -0.64 0.47 -0.76 -2.57 0.00 0.00 177.10 173.67 1v96 s LEU 37 N 0.83 4.36 0.37 0.60 1.43 -0.45 -4.58 118.68 121.22 1v96 s LEU 37 Ca 0.11 0.90 -0.26 0.00 -1.03 0.00 0.00 54.13 53.84 1v96 s LEU 37 Cb -0.21 -2.68 -0.09 0.00 0.03 0.00 0.00 46.19 43.23 1v96 s LEU 37 CO -0.03 0.12 1.13 -0.55 0.23 0.00 0.00 176.35 177.25 1v96 s SER 38 N -0.02 6.77 0.59 2.29 0.15 -1.26 0.26 113.70 122.49 1v96 s SER 38 Ca 0.26 2.27 0.29 0.00 0.70 0.00 0.00 55.95 59.47 1v96 s SER 38 Cb -0.16 -2.61 1.75 0.00 -1.71 0.00 0.00 66.02 63.29 1v96 s SER 38 CO 0.12 -0.49 2.18 -0.29 1.20 0.00 0.00 173.24 175.95 1v96 h ILE 39 N 2.52 0.49 -0.60 6.45 6.09 -1.33 -0.25 117.51 130.87 1v96 h ILE 39 Ca -0.48 0.00 -0.07 0.00 -1.37 0.00 0.00 64.86 62.94 1v96 h ILE 39 Cb 1.22 0.91 -0.02 0.00 0.47 0.00 0.00 36.82 39.41 1v96 h ILE 39 CO 0.64 0.00 0.10 0.58 -3.07 0.00 0.00 178.15 176.40 1v96 h VAL 40 N 0.00 1.26 -0.61 2.19 2.07 -1.90 -0.45 116.25 118.80 1v96 h VAL 40 Ca 0.04 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.51 1v96 h VAL 40 Cb 0.25 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1v96 h VAL 40 CO -0.00 0.36 0.16 0.74 0.02 0.00 0.00 177.57 178.85 1v96 h THR 41 N 0.89 1.25 -0.76 2.57 2.02 -1.43 -2.37 112.91 115.10 1v96 h THR 41 Ca 0.18 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 1v96 h THR 41 Cb 0.42 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 1v96 h THR 41 CO 0.01 0.34 0.42 0.58 0.37 0.00 0.00 175.52 177.24 1v96 h VAL 42 N 0.89 1.23 -0.37 3.16 2.07 -1.09 -0.88 116.25 121.26 1v96 h VAL 42 Ca 0.19 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.17 1v96 h VAL 42 Cb 0.34 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1v96 h VAL 42 CO 0.00 0.25 0.23 0.22 0.02 0.00 0.00 177.57 178.29 1v96 h TYR 43 N 1.04 0.44 -0.35 1.57 3.20 -0.82 0.72 116.97 122.77 1v96 h TYR 43 Ca 0.27 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 1v96 h TYR 43 Cb 0.02 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 1v96 h TYR 43 CO -0.00 0.27 0.16 0.00 -1.64 0.00 0.00 178.16 176.95 1v96 h ARG 44 N 0.48 0.51 0.04 1.82 2.47 -1.09 -1.04 114.38 117.56 1v96 h ARG 44 Ca 0.14 -0.08 0.02 0.00 -1.26 0.00 0.00 59.98 58.80 1v96 h ARG 44 Cb -0.03 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.18 1v96 h ARG 44 CO -0.05 0.47 -0.14 -0.92 0.56 0.00 0.00 179.97 179.89 1v96 h TYR 45 N 0.42 -0.37 0.00 3.04 3.20 -0.90 -2.47 116.97 119.90 1v96 h TYR 45 Ca 0.12 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 1v96 h TYR 45 Cb 0.14 0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 1v96 h TYR 45 CO -0.01 -0.21 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.07 1v96 h LEU 46 N -0.26 0.00 -0.66 2.82 3.38 -0.74 -2.45 115.31 117.39 1v96 h LEU 46 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1v96 h LEU 46 Cb 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1v96 h LEU 46 CO -0.11 0.15 0.30 0.74 0.09 0.00 0.00 178.44 179.61 1v96 h THR 47 N 0.00 1.23 -0.51 0.22 2.02 -0.70 0.18 112.91 115.35 1v96 h THR 47 Ca -0.00 -0.68 -0.13 0.00 0.77 0.00 0.00 66.41 66.38 1v96 h THR 47 Cb 0.39 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1v96 h THR 47 CO 0.02 0.27 -0.18 0.00 0.37 0.00 0.00 175.52 176.00 1v96 h ALA 48 N 1.14 0.72 -0.34 6.16 0.00 -1.34 -1.66 119.26 123.93 1v96 h ALA 48 Ca 0.23 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1v96 h ALA 48 Cb 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1v96 h ALA 48 CO -0.02 0.68 -0.17 0.00 0.00 0.00 0.00 179.25 179.73 1v96 h ARG 49 N 0.88 0.62 -0.17 0.00 2.47 -1.10 -2.29 114.38 114.79 1v96 h ARG 49 Ca 0.12 -0.21 -0.11 0.00 -1.26 0.00 0.00 59.98 58.52 1v96 h ARG 49 Cb 0.76 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.02 1v96 h ARG 49 CO 0.06 0.76 -0.38 0.00 0.56 0.00 0.00 179.97 180.97 1v96 h ALA 50 N 1.26 1.04 -0.01 0.04 0.00 -0.44 -1.38 119.26 119.77 1v96 h ALA 50 Ca 0.09 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1v96 h ALA 50 Cb 0.60 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1v96 h ALA 50 CO 0.04 0.60 -0.33 -0.92 0.00 0.00 0.00 179.25 178.64 1v96 h TYR 51 N 0.31 0.02 -0.21 0.00 5.03 -0.82 -1.29 116.97 120.02 1v96 h TYR 51 Ca 0.03 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1v96 h TYR 51 Cb 0.81 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.09 1v96 h TYR 51 CO 0.02 0.34 0.00 1.28 -1.32 0.00 0.00 178.16 178.48 1v96 n LEU 52 N -4.15 1.15 -2.50 2.82 4.77 -0.86 -4.89 117.00 113.33 1v96 n LEU 52 Ca -0.02 -0.57 -0.21 0.00 -0.03 0.00 0.00 56.01 55.18 1v96 n LEU 52 Cb 0.37 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 1v96 n LEU 52 CO 0.38 0.28 -0.17 0.29 -1.33 0.00 0.00 177.39 176.84 1v96 n LYS 53 N 0.11 -2.66 -2.12 3.23 4.76 -0.49 -5.00 118.16 116.00 1v96 n LYS 53 Ca 0.07 0.95 -0.29 0.00 -2.87 0.00 0.00 58.31 56.16 1v96 n LYS 53 Cb 0.19 -5.63 0.02 0.00 -1.84 0.00 0.00 35.03 27.76 1v96 n LYS 53 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1v96 s LYS 54 N -5.22 3.38 -1.02 1.97 -0.14 -0.58 -4.96 119.74 113.17 1v96 s LYS 54 Ca 0.10 0.48 -0.22 0.00 -1.36 0.00 0.00 55.97 54.97 1v96 s LYS 54 Cb -0.04 -2.16 0.07 0.00 -1.68 0.00 0.00 37.83 34.01 1v96 s LYS 54 CO 0.12 -0.58 1.40 1.21 -0.76 0.00 0.00 175.35 176.74 1v96 s ASN 55 N -4.21 6.55 0.43 2.83 3.84 -1.26 -4.67 114.94 118.45 1v96 s ASN 55 Ca 0.54 -1.65 0.30 0.00 0.21 0.00 0.00 52.86 52.25 1v96 s ASN 55 Cb -0.11 -2.53 1.20 0.00 -0.55 0.00 0.00 41.25 39.26 1v96 s ASN 55 CO 0.50 -1.39 1.87 0.16 -2.79 0.00 0.00 177.10 175.46 1v96 h ILE 56 N 6.50 0.00 -0.24 -5.21 3.07 -1.93 -1.20 117.51 118.51 1v96 h ILE 56 Ca 0.21 -0.41 -0.14 0.00 1.55 0.00 0.00 64.86 66.07 1v96 h ILE 56 Cb 1.00 1.30 -0.00 0.00 -0.27 0.00 0.00 36.82 38.85 1v96 h ILE 56 CO 1.36 0.00 -0.40 -0.33 -1.05 0.00 0.00 178.15 177.74 1v96 h GLU 57 N 0.00 0.70 -0.36 0.16 3.07 -1.99 0.39 114.58 116.54 1v96 h GLU 57 Ca 0.00 -0.43 -0.13 0.00 -0.50 0.00 0.00 59.36 58.30 1v96 h GLU 57 Cb 0.46 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 1v96 h GLU 57 CO 0.00 1.05 -0.29 0.00 -1.40 0.00 0.00 179.01 178.37 1v96 h ALA 58 N 0.65 0.52 -0.31 3.43 0.00 -1.88 -2.51 119.26 119.16 1v96 h ALA 58 Ca 0.02 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 1v96 h ALA 58 Cb 0.99 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1v96 h ALA 58 CO 0.09 0.55 -0.23 0.93 0.00 0.00 0.00 179.25 180.59 1v96 h GLU 59 N 0.63 0.60 -0.69 0.00 5.08 -1.18 -2.70 114.58 116.32 1v96 h GLU 59 Ca 0.07 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1v96 h GLU 59 Cb 0.86 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 1v96 h GLU 59 CO 0.08 0.78 0.24 0.35 -1.00 0.00 0.00 179.01 179.46 1v96 h PHE 60 N 0.53 1.08 -0.88 4.33 3.57 -0.82 -1.00 116.94 123.75 1v96 h PHE 60 Ca 0.08 -0.10 0.05 0.00 3.53 0.00 0.00 57.97 61.53 1v96 h PHE 60 Cb 0.68 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 1v96 h PHE 60 CO 0.03 0.85 0.57 0.93 -2.23 0.00 0.00 178.31 178.47 1v96 h GLU 61 N 1.00 1.01 -0.30 1.11 4.39 -1.17 0.68 114.58 121.31 1v96 h GLU 61 Ca 0.23 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.81 1v96 h GLU 61 Cb 0.26 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1v96 h GLU 61 CO -0.01 0.67 -0.05 0.82 -1.16 0.00 0.00 179.01 179.28 1v96 h ILE 62 N 1.04 1.27 -0.84 3.13 2.04 -1.07 -2.27 117.51 120.82 1v96 h ILE 62 Ca 0.36 -1.05 0.03 0.00 1.00 0.00 0.00 64.86 65.20 1v96 h ILE 62 Cb 0.12 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 1v96 h ILE 62 CO -0.12 0.34 0.54 -0.07 0.00 0.00 0.00 178.15 178.84 1v96 h LEU 63 N 0.34 0.90 -1.36 1.44 3.38 -0.23 -1.80 115.31 117.98 1v96 h LEU 63 Ca 0.08 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1v96 h LEU 63 Cb 0.52 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1v96 h LEU 63 CO 0.02 0.62 0.34 0.11 0.09 0.00 0.00 178.44 179.62 1v96 h LYS 64 N 1.05 0.78 0.00 1.13 1.57 -0.73 0.85 116.57 121.22 1v96 h LYS 64 Ca 0.33 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.94 1v96 h LYS 64 Cb 0.00 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1v96 h LYS 64 CO -0.11 0.55 -0.51 -0.44 -0.57 0.00 0.00 179.45 178.37 1v96 h ASP 65 N 0.79 0.00 0.00 0.86 3.32 -0.75 -3.36 116.42 117.29 1v96 h ASP 65 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1v96 h ASP 65 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1v96 h ASP 65 CO -0.04 0.51 -1.56 2.30 -1.72 0.00 0.00 179.24 178.73 1v96 n ILE 66 N -3.43 0.00 -4.37 0.35 -5.35 -0.91 -5.01 119.36 100.65 1v96 n ILE 66 Ca 0.00 -0.29 -0.26 0.00 -0.27 0.00 0.00 62.75 61.93 1v96 n ILE 66 Cb 0.64 0.23 -0.10 0.00 -1.74 0.00 0.00 39.64 38.67 1v96 n ILE 66 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1v96 s TYR 67 N -2.87 2.46 -0.58 4.28 2.02 0.26 -4.81 117.35 118.10 1v96 s TYR 67 Ca -0.04 -0.29 -0.20 0.00 -0.37 0.00 0.00 57.07 56.17 1v96 s TYR 67 Cb 0.08 -1.18 0.08 0.00 -0.40 0.00 0.00 41.96 40.54 1v96 s TYR 67 CO 0.54 0.54 0.75 1.21 -1.57 0.00 0.00 175.55 177.01 1v96 s ASN 68 N -2.90 6.20 -0.27 2.29 3.04 -0.30 -4.60 114.94 118.40 1v96 s ASN 68 Ca 0.24 -1.18 -0.26 0.00 0.04 0.00 0.00 52.86 51.70 1v96 s ASN 68 Cb -0.08 -2.33 0.00 0.00 -1.54 0.00 0.00 41.25 37.31 1v96 s ASN 68 CO 0.13 -1.13 0.91 -0.63 -3.04 0.00 0.00 177.10 173.34 1v96 s ILE 69 N 3.00 4.72 -0.22 -5.21 1.01 -1.26 -1.35 121.20 121.90 1v96 s ILE 69 Ca 0.15 1.59 -0.16 0.00 0.00 0.00 0.00 60.65 62.23 1v96 s ILE 69 Cb -0.21 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 1v96 s ILE 69 CO 0.09 -0.23 0.41 -0.69 0.00 0.00 0.00 174.94 174.52 1v96 s VAL 70 N 3.12 5.17 1.06 2.92 1.01 0.14 -4.89 120.40 128.92 1v96 s VAL 70 Ca 0.38 0.71 -0.12 0.00 0.00 0.00 0.00 61.98 62.95 1v96 s VAL 70 Cb -0.14 -3.74 0.22 0.00 0.00 0.00 0.00 36.38 32.72 1v96 s VAL 70 CO 0.10 0.21 1.07 -2.84 0.00 0.00 0.00 175.10 173.64 1v96 s PRO 71 N 1.60 -0.07 -1.25 2.72 0.02 -1.26 -0.93 135.00 135.82 1v96 s PRO 71 Ca 0.19 0.84 -0.13 0.00 0.02 0.00 0.00 61.00 61.92 1v96 s PRO 71 Cb -0.15 -1.65 0.16 0.00 0.02 0.00 0.00 34.50 32.87 1v96 s PRO 71 CO 0.09 -3.16 1.62 -0.11 -0.33 0.00 0.00 177.00 175.11 1v96 n LEU 72 N -4.52 5.67 -4.69 -5.54 0.00 -1.26 -4.74 117.00 101.92 1v96 n LEU 72 Ca 0.05 -4.46 -0.37 0.00 0.00 0.00 0.00 56.01 51.24 1v96 n LEU 72 Cb 0.55 -1.59 0.07 0.00 0.00 0.00 0.00 43.42 42.45 1v96 n LEU 72 CO 0.56 0.88 0.78 0.18 0.00 0.00 0.00 177.39 179.79 1v96 n LEU 73 N 5.37 5.18 -0.21 -1.96 4.77 -1.26 -4.71 117.00 124.17 1v96 n LEU 73 Ca 0.39 0.78 0.01 0.00 -0.03 0.00 0.00 56.01 57.17 1v96 n LEU 73 Cb 0.41 -1.50 0.12 0.00 -2.33 0.00 0.00 43.42 40.12 1v96 n LEU 73 CO 0.70 -1.35 0.94 0.44 -1.33 0.00 0.00 177.39 176.79 1v96 h ASP 74 N 0.28 0.07 0.13 -1.43 3.32 -1.99 0.22 116.42 117.03 1v96 h ASP 74 Ca -0.50 0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.62 1v96 h ASP 74 Cb 1.34 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 41.02 1v96 h ASP 74 CO 0.51 0.03 -0.17 0.44 -1.72 0.00 0.00 179.24 178.34 1v96 h ASP 75 N 0.30 0.08 -0.10 6.45 3.32 -1.99 0.11 116.42 124.60 1v96 h ASP 75 Ca 0.33 -0.02 -0.24 0.00 0.02 0.00 0.00 57.03 57.13 1v96 h ASP 75 Cb 0.49 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.04 1v96 h ASP 75 CO -0.40 0.26 -0.85 0.40 -1.72 0.00 0.00 179.24 176.93 1v96 h ILE 76 N 0.08 1.28 -0.70 0.35 2.04 -1.24 -0.71 117.51 118.61 1v96 h ILE 76 Ca 0.02 -2.05 -0.02 0.00 1.00 0.00 0.00 64.86 63.81 1v96 h ILE 76 Cb 0.36 2.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 1v96 h ILE 76 CO 0.02 0.65 0.37 0.00 0.00 0.00 0.00 178.15 179.19 1v96 h ALA 77 N 0.50 0.90 0.09 1.87 0.00 -0.11 0.90 119.26 123.40 1v96 h ALA 77 Ca -0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1v96 h ALA 77 Cb 1.49 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1v96 h ALA 77 CO 0.17 0.43 -0.05 0.82 0.00 0.00 0.00 179.25 180.63 1v96 h ILE 78 N 0.97 1.04 -0.71 0.00 2.04 -0.92 -1.43 117.51 118.50 1v96 h ILE 78 Ca 0.24 -0.48 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 1v96 h ILE 78 Cb 0.07 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1v96 h ILE 78 CO -0.04 0.12 0.25 0.50 0.00 0.00 0.00 178.15 178.98 1v96 h LYS 79 N -0.35 1.07 -0.73 2.37 3.64 -1.02 -0.66 116.57 120.90 1v96 h LYS 79 Ca -0.01 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.10 1v96 h LYS 79 Cb 0.29 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1v96 h LYS 79 CO 0.02 0.90 0.23 0.00 -2.27 0.00 0.00 179.45 178.33 1v96 h ALA 80 N 1.23 1.03 -0.35 5.00 0.00 -0.75 0.45 119.26 125.87 1v96 h ALA 80 Ca 0.23 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1v96 h ALA 80 Cb 0.25 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1v96 h ALA 80 CO -0.01 0.65 -0.26 0.00 0.00 0.00 0.00 179.25 179.64 1v96 h ALA 81 N 1.17 0.90 -0.58 0.00 0.00 -0.85 -0.11 119.26 119.79 1v96 h ALA 81 Ca 0.24 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1v96 h ALA 81 Cb 0.29 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1v96 h ALA 81 CO -0.01 0.62 0.23 1.96 0.00 0.00 0.00 179.25 182.06 1v96 h GLN 82 N 0.61 0.86 0.00 0.00 4.20 -0.51 -2.04 115.11 118.24 1v96 h GLN 82 Ca 0.08 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1v96 h GLN 82 Cb 0.75 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1v96 h GLN 82 CO 0.06 0.74 -0.00 0.82 -0.67 0.00 0.00 178.83 179.78 1v96 h ILE 83 N 0.80 1.30 -0.63 2.54 2.04 -0.66 -2.62 117.51 120.27 1v96 h ILE 83 Ca 0.19 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 1v96 h ILE 83 Cb 0.20 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 1v96 h ILE 83 CO -0.02 0.23 0.38 -0.08 0.00 0.00 0.00 178.15 178.66 1v96 h GLU 84 N -0.39 0.85 0.00 2.37 4.81 -0.98 -0.19 114.58 121.05 1v96 h GLU 84 Ca -0.00 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.06 1v96 h GLU 84 Cb 0.38 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1v96 h GLU 84 CO 0.00 0.60 -0.46 0.00 -0.73 0.00 0.00 179.01 178.42 1v96 h ALA 85 N 1.55 0.87 -0.13 2.92 0.00 -1.39 0.78 119.26 123.86 1v96 h ALA 85 Ca 0.23 -0.42 -0.23 0.00 0.00 0.00 0.00 54.91 54.49 1v96 h ALA 85 Cb -0.03 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.70 1v96 h ALA 85 CO -0.04 0.58 -0.82 -0.97 0.00 0.00 0.00 179.25 177.99 1v96 h ASN 86 N 0.00 0.94 -0.42 0.00 -1.24 -0.94 -2.80 115.58 111.12 1v96 h ASN 86 Ca -0.00 -0.64 -0.11 0.00 0.71 0.00 0.00 56.30 56.26 1v96 h ASN 86 Cb 1.09 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.85 1v96 h ASN 86 CO 0.06 1.44 -0.15 -0.07 -1.29 0.00 0.00 177.43 177.42 1v96 h LEU 87 N 0.52 0.86 -1.63 0.34 3.38 -0.85 -2.91 115.31 115.03 1v96 h LEU 87 Ca -0.07 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 1v96 h LEU 87 Cb 1.46 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1v96 h LEU 87 CO 0.17 1.05 0.03 0.40 0.09 0.00 0.00 178.44 180.18 1v96 h ILE 88 N 0.67 1.11 -0.58 1.22 2.04 -0.66 -0.81 117.51 120.50 1v96 h ILE 88 Ca 0.10 -0.38 0.15 0.00 1.00 0.00 0.00 64.86 65.73 1v96 h ILE 88 Cb 0.70 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1v96 h ILE 88 CO 0.05 0.13 0.41 0.11 0.00 0.00 0.00 178.15 178.85 1v96 h LYS 89 N 0.27 0.07 -1.62 2.37 1.57 -1.28 -2.35 116.57 115.60 1v96 h LYS 89 Ca 0.07 -0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.21 1v96 h LYS 89 Cb 0.14 -0.02 -0.39 0.00 0.08 0.00 0.00 32.23 32.04 1v96 h LYS 89 CO -0.00 0.05 -0.33 1.17 -0.57 0.00 0.00 179.45 179.77 1v96 n LYS 90 N -4.39 3.28 -1.44 3.15 3.00 -0.41 -4.94 118.16 116.41 1v96 n LYS 90 Ca 0.11 -4.28 -0.09 0.00 -0.00 0.00 0.00 58.31 54.04 1v96 n LYS 90 Cb 0.60 -2.25 -0.03 0.00 0.00 0.00 0.00 35.03 33.34 1v96 n LYS 90 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1v96 n GLU 91 N -0.50 -1.38 -4.16 1.64 4.71 -0.88 -4.93 120.64 115.14 1v96 n GLU 91 Ca 0.42 0.52 -0.34 0.00 -0.01 0.00 0.00 57.16 57.75 1v96 n GLU 91 Cb 0.57 -4.75 -0.11 0.00 -1.01 0.00 0.00 31.44 26.14 1v96 n GLU 91 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1v96 s ILE 92 N -1.87 4.31 -0.02 -3.67 1.01 -0.61 -5.00 121.20 115.36 1v96 s ILE 92 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.45 1v96 s ILE 92 Cb 0.00 -2.93 0.03 0.00 0.01 0.00 0.00 42.46 39.57 1v96 s ILE 92 CO 0.00 0.46 0.02 -0.89 0.00 0.00 0.00 174.94 174.53 1v96 s THR 93 N 0.51 -0.00 0.18 2.92 2.01 -1.26 -2.76 115.64 117.24 1v96 s THR 93 Ca 0.00 0.16 0.08 0.00 0.31 0.00 0.00 61.69 62.25 1v96 s THR 93 Cb -0.13 -0.11 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 1v96 s THR 93 CO 0.02 0.09 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.11 1v96 s LEU 94 N 0.93 2.48 0.87 4.42 1.43 -1.26 -5.14 118.68 122.41 1v96 s LEU 94 Ca -0.08 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 51.99 1v96 s LEU 94 Cb -0.11 -0.78 0.12 0.00 0.03 0.00 0.00 46.19 45.44 1v96 s LEU 94 CO -0.02 -0.08 1.09 1.51 0.23 0.00 0.00 176.35 179.08 1v96 s ASP 95 N -2.91 3.69 0.22 2.29 1.47 -1.26 -4.81 116.67 115.36 1v96 s ASP 95 Ca 0.18 1.45 -0.08 0.00 1.18 0.00 0.00 52.55 55.29 1v96 s ASP 95 Cb -0.04 -2.14 0.28 0.00 -0.34 0.00 0.00 42.92 40.67 1v96 s ASP 95 CO 0.07 -2.50 1.81 -0.03 0.68 0.00 0.00 175.17 175.20 1v96 h MET 96 N -1.45 0.68 -0.42 2.11 1.85 -2.00 -2.18 114.93 113.52 1v96 h MET 96 Ca -0.49 -0.04 0.03 0.00 -0.61 0.00 0.00 59.70 58.59 1v96 h MET 96 Cb 1.28 -0.15 -0.03 0.00 0.43 0.00 0.00 31.60 33.12 1v96 h MET 96 CO 0.55 0.45 0.21 1.49 -0.40 0.00 0.00 176.91 179.22 1v96 h GLU 97 N 0.70 0.42 -0.42 0.39 4.81 -1.99 -0.70 114.58 117.79 1v96 h GLU 97 Ca 0.32 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.50 1v96 h GLU 97 Cb 0.23 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1v96 h GLU 97 CO -0.20 0.28 0.16 -0.44 -0.73 0.00 0.00 179.01 178.07 1v96 h ASP 98 N 0.43 0.59 -0.08 1.04 3.32 -1.84 -0.05 116.42 119.83 1v96 h ASP 98 Ca 0.18 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1v96 h ASP 98 Cb 0.07 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 1v96 h ASP 98 CO -0.12 0.61 0.05 0.40 -1.72 0.00 0.00 179.24 178.46 1v96 h ILE 99 N 0.54 1.07 -0.70 0.35 1.08 -1.10 -0.89 117.51 117.86 1v96 h ILE 99 Ca 0.14 -0.18 -0.07 0.00 -0.39 0.00 0.00 64.86 64.36 1v96 h ILE 99 Cb 0.21 1.03 -0.03 0.00 -3.07 0.00 0.00 36.82 34.97 1v96 h ILE 99 CO -0.01 0.06 0.17 0.40 -0.69 0.00 0.00 178.15 178.08 1v96 h ILE 100 N 0.06 1.26 -0.23 -0.67 1.08 -1.04 0.63 117.51 118.61 1v96 h ILE 100 Ca 0.03 -0.97 -0.01 0.00 -0.39 0.00 0.00 64.86 63.52 1v96 h ILE 100 Cb 0.05 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 1v96 h ILE 100 CO -0.01 0.37 0.10 0.74 -0.69 0.00 0.00 178.15 178.66 1v96 h THR 101 N 1.06 1.16 -0.45 -0.27 2.02 -0.83 0.41 112.91 116.01 1v96 h THR 101 Ca 0.22 -0.47 -0.09 0.00 0.77 0.00 0.00 66.41 66.83 1v96 h THR 101 Cb 0.37 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1v96 h THR 101 CO 0.00 0.16 -0.08 0.00 0.37 0.00 0.00 175.52 175.97 1v96 h ALA 102 N 0.94 0.62 -0.42 6.16 0.00 -1.03 -1.91 119.26 123.62 1v96 h ALA 102 Ca 0.08 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1v96 h ALA 102 Cb 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1v96 h ALA 102 CO -0.01 0.49 0.00 1.15 0.00 0.00 0.00 179.25 180.88 1v96 h THR 103 N 0.69 1.22 -0.28 0.00 2.02 -0.74 -1.39 112.91 114.43 1v96 h THR 103 Ca 0.12 -0.91 -0.12 0.00 0.77 0.00 0.00 66.41 66.27 1v96 h THR 103 Cb 0.61 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1v96 h THR 103 CO 0.04 0.32 -0.32 0.74 0.37 0.00 0.00 175.52 176.67 1v96 h THR 104 N 0.64 1.28 -0.44 3.16 2.02 -0.70 -0.05 112.91 118.83 1v96 h THR 104 Ca 0.13 -1.43 -0.06 0.00 0.77 0.00 0.00 66.41 65.83 1v96 h THR 104 Cb 0.39 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1v96 h THR 104 CO 0.01 0.46 0.05 0.00 0.37 0.00 0.00 175.52 176.41 1v96 h ALA 105 N 1.15 0.58 -0.46 6.16 0.00 -0.76 -1.13 119.26 124.81 1v96 h ALA 105 Ca 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1v96 h ALA 105 Cb 0.79 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1v96 h ALA 105 CO 0.06 0.32 0.17 0.82 0.00 0.00 0.00 179.25 180.63 1v96 h ILE 106 N 0.59 1.21 -0.68 0.00 2.04 -1.03 0.15 117.51 119.79 1v96 h ILE 106 Ca 0.13 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1v96 h ILE 106 Cb 0.42 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1v96 h ILE 106 CO 0.01 0.24 0.43 0.22 0.00 0.00 0.00 178.15 179.06 1v96 h TYR 107 N 0.59 0.88 -0.44 1.37 5.03 -0.76 -2.23 116.97 121.41 1v96 h TYR 107 Ca 0.15 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.47 1v96 h TYR 107 Cb 0.22 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.20 1v96 h TYR 107 CO 0.01 0.57 0.00 0.25 -1.32 0.00 0.00 178.16 177.66 1v96 n THR 108 N -4.41 0.57 -3.80 1.81 -2.24 -0.45 -4.94 114.28 100.81 1v96 n THR 108 Ca 0.07 -0.71 -0.28 0.00 -2.27 0.00 0.00 64.05 60.87 1v96 n THR 108 Cb 0.05 0.67 0.04 0.00 -2.10 0.00 0.00 70.33 68.99 1v96 n THR 108 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1v96 n ASN 109 N 1.23 -4.97 -4.76 3.42 3.02 -0.34 -4.97 115.26 107.88 1v96 n ASN 109 Ca 0.19 -0.71 -0.35 0.00 -0.03 0.00 0.00 54.58 53.68 1v96 n ASN 109 Cb 0.53 -4.25 -0.08 0.00 -0.61 0.00 0.00 39.78 35.37 1v96 n ASN 109 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1v96 s SER 110 N -3.40 5.65 -0.07 6.41 0.01 0.39 -4.68 113.70 118.02 1v96 s SER 110 Ca 0.59 0.23 -0.30 0.00 1.31 0.00 0.00 55.95 57.78 1v96 s SER 110 Cb -0.28 -1.67 -0.03 0.00 0.21 0.00 0.00 66.02 64.25 1v96 s SER 110 CO 0.80 0.35 1.12 -0.22 0.41 0.00 0.00 173.24 175.70 1v96 s LEU 111 N -1.18 4.27 -0.40 2.44 2.96 -0.80 -4.56 118.68 121.41 1v96 s LEU 111 Ca 0.17 1.71 -0.23 0.00 -0.22 0.00 0.00 54.13 55.56 1v96 s LEU 111 Cb -0.12 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.03 1v96 s LEU 111 CO 0.06 -0.52 0.77 -0.22 -1.32 0.00 0.00 176.35 175.13 1v96 s LEU 112 N 2.04 4.19 -0.25 -0.68 2.96 -0.23 -1.11 118.68 125.60 1v96 s LEU 112 Ca 0.53 0.12 -0.16 0.00 -0.22 0.00 0.00 54.13 54.40 1v96 s LEU 112 Cb -0.22 -2.98 -0.03 0.00 0.50 0.00 0.00 46.19 43.45 1v96 s LEU 112 CO 0.21 -0.81 0.43 -0.69 -1.32 0.00 0.00 176.35 174.17 1v96 s VAL 113 N 3.17 5.14 0.06 1.68 1.01 -0.10 -1.38 120.40 129.98 1v96 s VAL 113 Ca 0.30 0.71 -0.08 0.00 0.00 0.00 0.00 61.98 62.90 1v96 s VAL 113 Cb -0.13 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.50 1v96 s VAL 113 CO 0.20 0.15 0.18 0.28 0.00 0.00 0.00 175.10 175.90 1v96 s THR 114 N 2.01 0.13 -1.36 3.92 -1.32 -0.97 -3.39 115.64 114.66 1v96 s THR 114 Ca 0.18 -1.08 0.27 0.00 -1.21 0.00 0.00 61.69 59.85 1v96 s THR 114 Cb -0.16 -1.13 0.24 0.00 -1.51 0.00 0.00 72.50 69.94 1v96 s THR 114 CO 0.09 -0.59 1.66 -0.67 -2.21 0.00 0.00 174.62 172.90 1v96 n ASP 115 N 0.33 0.52 -3.19 8.08 -0.08 -1.26 0.01 116.55 120.96 1v96 n ASP 115 Ca -0.17 -0.37 -0.22 0.00 -1.51 0.00 0.00 54.79 52.53 1v96 n ASP 115 Cb 0.61 0.01 -0.05 0.00 2.34 0.00 0.00 41.12 44.02 1v96 n ASP 115 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1v96 n ASP 116 N -1.15 0.91 -0.17 1.67 2.03 -1.26 -4.83 116.55 113.75 1v96 n ASP 116 Ca 0.10 -2.93 0.13 0.00 0.52 0.00 0.00 54.79 52.61 1v96 n ASP 116 Cb 0.32 -0.63 0.46 0.00 -0.72 0.00 0.00 41.12 40.56 1v96 n ASP 116 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1v96 h PRO 117 N 3.51 0.49 -0.89 -0.67 0.13 -1.92 -2.94 132.00 129.71 1v96 h PRO 117 Ca 0.09 -0.03 0.11 0.00 -0.87 0.00 0.00 66.00 65.31 1v96 h PRO 117 Cb 0.89 -0.11 -0.07 0.00 0.13 0.00 0.00 31.00 31.84 1v96 h PRO 117 CO 0.52 0.32 0.57 1.57 -0.23 0.00 0.00 178.00 180.75 1v96 h LYS 118 N 0.50 0.79 0.00 0.86 2.10 -1.97 -1.61 116.57 117.24 1v96 h LYS 118 Ca 0.36 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.96 1v96 h LYS 118 Cb 0.70 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1v96 h LYS 118 CO -0.12 0.52 0.00 2.89 -2.00 0.00 0.00 179.45 180.74 1v96 n ARG 119 N -4.54 0.17 0.00 0.07 1.85 -1.11 -1.93 116.66 111.16 1v96 n ARG 119 Ca 0.16 0.38 0.12 0.00 -1.00 0.00 0.00 57.85 57.50 1v96 n ARG 119 Cb 0.36 -1.81 0.17 0.00 -1.05 0.00 0.00 32.46 30.14 1v96 n ARG 119 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1v96 n TYR 120 N -2.12 0.00 -0.32 2.89 4.01 -0.61 -4.55 117.16 116.47 1v96 n TYR 120 Ca 0.03 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.95 1v96 n TYR 120 Cb 0.24 -0.11 0.37 0.00 -0.31 0.00 0.00 39.34 39.53 1v96 n TYR 120 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1v96 h GLU 121 N 0.94 0.18 0.00 -0.72 4.57 -1.30 0.11 114.58 118.37 1v96 h GLU 121 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1v96 h GLU 121 Cb 0.56 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1v96 h GLU 121 CO 0.00 0.12 0.00 -1.35 -1.18 0.00 0.00 179.01 176.60 1v96 h PRO 122 N 0.19 0.00 0.00 0.92 0.11 -1.82 -2.10 132.00 129.30 1v96 h PRO 122 Ca 0.64 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.75 1v96 h PRO 122 Cb 1.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.51 1v96 h PRO 122 CO -0.69 0.00 -0.71 -0.89 -0.21 0.00 0.00 178.00 175.50 1v96 n ILE 123 N -2.49 0.02 0.21 4.15 5.41 0.38 -4.12 119.36 122.92 1v96 n ILE 123 Ca -0.01 -0.02 0.07 0.00 1.00 0.00 0.00 62.75 63.78 1v96 n ILE 123 Cb 0.09 0.49 0.59 0.00 -0.71 0.00 0.00 39.64 40.09 1v96 n ILE 123 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1v96 h ARG 124 N 0.00 0.09 0.00 0.38 3.08 -1.42 -0.17 114.38 116.35 1v96 h ARG 124 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1v96 h ARG 124 Cb 0.52 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1v96 h ARG 124 CO 0.00 0.07 0.00 0.07 -1.07 0.00 0.00 179.97 179.04 1v96 h ARG 125 N 0.10 0.00 -0.24 0.04 0.11 -1.76 -0.46 114.38 112.17 1v96 h ARG 125 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 1v96 h ARG 125 Cb 0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.09 1v96 h ARG 125 CO -0.00 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.26 1v96 n PHE 126 N -2.64 0.29 0.00 4.08 3.01 -0.08 -4.93 117.46 117.20 1v96 n PHE 126 Ca -0.01 -0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.30 1v96 n PHE 126 Cb 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 1v96 n PHE 126 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1v96 n GLY 127 N 1.36 0.82 3.75 1.37 0.00 -0.18 -5.07 105.19 107.24 1v96 n GLY 127 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1v96 n GLY 127 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1v96 s LEU 128 N 0.00 4.45 -0.08 0.99 2.96 -1.23 -4.93 118.68 120.83 1v96 s LEU 128 Ca 0.00 2.48 0.05 0.00 -0.22 0.00 0.00 54.13 56.44 1v96 s LEU 128 Cb 0.00 -3.63 -0.00 0.00 0.50 0.00 0.00 46.19 43.06 1v96 s LEU 128 CO 0.00 -0.46 -0.23 -0.62 -1.32 0.00 0.00 176.35 173.72 1v96 s ASP 129 N -0.19 2.96 0.25 3.68 2.15 -1.26 -4.48 116.67 119.78 1v96 s ASP 129 Ca 0.52 -0.52 0.07 0.00 0.43 0.00 0.00 52.55 53.05 1v96 s ASP 129 Cb -0.37 -1.12 -0.05 0.00 -0.30 0.00 0.00 42.92 41.08 1v96 s ASP 129 CO 0.44 0.19 -0.10 0.42 -0.17 0.00 0.00 175.17 175.95 1v96 s THR 130 N 0.15 1.74 -0.13 1.71 -4.23 -1.26 -1.07 115.64 112.55 1v96 s THR 130 Ca -0.12 -2.18 -0.07 0.00 -1.18 0.00 0.00 61.69 58.14 1v96 s THR 130 Cb -0.16 -2.30 0.05 0.00 1.34 0.00 0.00 72.50 71.44 1v96 s THR 130 CO 0.06 -0.41 0.31 -0.32 -0.54 0.00 0.00 174.62 173.72 1v96 s MET 131 N -3.68 0.28 0.42 3.99 1.75 -0.48 -4.88 119.30 116.69 1v96 s MET 131 Ca 0.27 0.63 -0.27 0.00 -1.25 0.00 0.00 55.69 55.07 1v96 s MET 131 Cb 0.01 -0.08 -0.10 0.00 2.84 0.00 0.00 34.83 37.51 1v96 s MET 131 CO 0.10 -0.16 1.46 -1.25 -0.65 0.00 0.00 175.02 174.52 1v96 s PRO 132 N 1.31 3.88 0.17 4.11 0.04 -1.26 -2.29 135.00 140.96 1v96 s PRO 132 Ca -0.09 2.50 -0.15 0.00 0.04 0.00 0.00 61.00 63.30 1v96 s PRO 132 Cb -0.10 -2.80 0.13 0.00 0.04 0.00 0.00 34.50 31.77 1v96 s PRO 132 CO -0.10 -0.69 1.73 1.25 0.04 0.00 0.00 177.00 179.23 1v96 h LEU 133 N 2.64 0.02 -1.19 -3.56 5.85 -0.74 -1.66 115.31 116.68 1v96 h LEU 133 Ca -0.51 0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.40 1v96 h LEU 133 Cb 1.25 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.30 1v96 h LEU 133 CO 0.62 0.05 0.59 -2.24 -0.34 0.00 0.00 178.44 177.12 1v96 h ASP 134 N 0.23 0.77 -0.12 1.25 -0.00 -1.91 -0.06 116.42 116.58 1v96 h ASP 134 Ca 0.21 0.04 -0.16 0.00 -0.00 0.00 0.00 57.03 57.11 1v96 h ASP 134 Cb 0.25 -0.12 -0.01 0.00 -0.00 0.00 0.00 39.33 39.46 1v96 h ASP 134 CO -0.27 0.42 -0.50 0.50 -0.00 0.00 0.00 179.24 179.39 1v96 h LYS 135 N 0.83 0.69 -0.49 4.15 3.64 -1.72 -2.11 116.57 121.57 1v96 h LYS 135 Ca 0.45 -0.41 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1v96 h LYS 135 Cb 0.56 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1v96 h LYS 135 CO -0.21 1.03 0.15 0.35 -2.27 0.00 0.00 179.45 178.50 1v96 h PHE 136 N 0.54 0.79 -0.50 1.91 3.57 -0.36 -2.00 116.94 120.90 1v96 h PHE 136 Ca 0.02 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1v96 h PHE 136 Cb 1.06 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 1v96 h PHE 136 CO 0.05 0.69 0.31 0.82 -2.23 0.00 0.00 178.31 177.95 1v96 h ILE 137 N 0.66 1.15 -0.58 1.41 2.04 -0.97 -1.17 117.51 120.04 1v96 h ILE 137 Ca 0.16 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.72 1v96 h ILE 137 Cb 0.28 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1v96 h ILE 137 CO -0.00 0.15 0.36 0.50 0.00 0.00 0.00 178.15 179.15 1v96 h LYS 138 N 0.67 0.70 -0.22 2.37 3.64 -1.16 -0.72 116.57 121.85 1v96 h LYS 138 Ca 0.18 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.41 1v96 h LYS 138 Cb -0.03 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1v96 h LYS 138 CO -0.04 0.46 -0.32 0.93 -2.27 0.00 0.00 179.45 178.21 1v96 h GLU 139 N 0.72 0.45 -0.23 1.90 5.08 -1.04 -2.85 114.58 118.61 1v96 h GLU 139 Ca 0.23 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 1v96 h GLU 139 Cb -0.01 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1v96 h GLU 139 CO -0.08 0.73 -0.48 0.28 -1.00 0.00 0.00 179.01 178.45 1v96 h VAL 140 N 0.39 1.31 -0.52 3.13 2.07 -0.84 -2.92 116.25 118.86 1v96 h VAL 140 Ca 0.05 -1.69 0.03 0.00 0.82 0.00 0.00 66.70 65.91 1v96 h VAL 140 Cb 0.76 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 1v96 h VAL 140 CO 0.06 0.53 0.35 -0.33 0.02 0.00 0.00 177.57 178.20 1v96 h GLU 141 N 0.49 0.59 -0.44 1.57 5.08 -0.91 0.54 114.58 121.50 1v96 h GLU 141 Ca 0.03 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1v96 h GLU 141 Cb 1.02 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1v96 h GLU 141 CO 0.09 0.39 0.15 -0.07 -1.00 0.00 0.00 179.01 178.58 1v96 h LEU 142 N 0.61 0.63 -1.02 1.33 3.38 -1.32 -2.11 115.31 116.80 1v96 h LEU 142 Ca 0.21 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1v96 h LEU 142 Cb 0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1v96 h LEU 142 CO -0.05 0.65 0.22 0.24 0.09 0.00 0.00 178.44 179.59 1v96 h MET 143 N 0.57 0.92 -0.72 1.13 2.86 -1.11 -1.68 114.93 116.90 1v96 h MET 143 Ca 0.14 -0.16 0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1v96 h MET 143 Cb 0.24 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 1v96 h MET 143 CO -0.01 0.77 0.47 0.28 1.06 0.00 0.00 176.91 179.49 1v96 h VAL 144 N 0.90 1.08 0.00 -2.22 2.07 -0.44 -3.52 116.25 114.13 1v96 h VAL 144 Ca 0.21 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1v96 h VAL 144 Cb 0.22 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1v96 h VAL 144 CO -0.01 0.15 0.00 -0.62 0.02 0.00 0.00 177.57 177.11