#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1be2 n ASN 2 N 0.00 -0.37 0.19 1.96 6.94 -1.26 -5.05 115.26 117.67 1be2 n ASN 2 Ca 0.00 -1.06 -0.15 0.00 -0.02 0.00 0.00 54.58 53.35 1be2 n ASN 2 Cb 0.00 0.57 -0.08 0.00 -2.36 0.00 0.00 39.78 37.92 1be2 n ASN 2 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1be2 h GLY 4 N -0.46 0.16 -0.24 0.00 0.00 -1.98 0.39 103.07 100.94 1be2 h GLY 4 Ca -0.04 0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.40 1be2 h GLY 4 CO 0.05 -0.09 -0.34 -1.61 0.00 0.00 0.00 176.54 174.55 1be2 h GLN 5 N -0.00 -0.24 -0.32 4.80 5.75 -1.96 0.53 115.11 123.66 1be2 h GLN 5 Ca 0.11 0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.66 1be2 h GLN 5 Cb 0.17 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 1be2 h GLN 5 CO -0.23 -0.16 -0.22 0.28 -2.65 0.00 0.00 178.83 175.84 1be2 h VAL 6 N -0.25 0.00 0.30 2.39 2.07 0.02 0.33 116.25 121.11 1be2 h VAL 6 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1be2 h VAL 6 Cb 0.36 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1be2 h VAL 6 CO -0.36 0.00 -0.38 -0.78 0.02 0.00 0.00 177.57 176.07 1be2 h ASP 7 N -0.04 -1.07 -0.19 0.57 1.82 -0.53 0.50 116.42 117.48 1be2 h ASP 7 Ca 0.05 0.10 0.06 0.00 -0.39 0.00 0.00 57.03 56.85 1be2 h ASP 7 Cb 0.17 0.38 -0.01 0.00 0.68 0.00 0.00 39.33 40.55 1be2 h ASP 7 CO -0.32 -0.51 0.16 0.28 -1.61 0.00 0.00 179.24 177.24 1be2 h SER 8 N -0.73 0.00 0.00 2.28 0.02 -0.64 0.16 113.55 114.63 1be2 h SER 8 Ca -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1be2 h SER 8 Cb 0.69 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 1be2 h SER 8 CO -0.12 0.00 -0.00 0.50 -1.14 0.00 0.00 176.83 176.07 1be2 h LYS 9 N 0.00 0.00 -0.56 3.45 3.11 0.11 -3.37 116.57 119.31 1be2 h LYS 9 Ca 0.09 0.00 0.11 0.00 -2.81 0.00 0.00 60.65 58.05 1be2 h LYS 9 Cb 0.42 0.00 -0.10 0.00 -1.00 0.00 0.00 32.23 31.55 1be2 h LYS 9 CO -0.00 0.03 -0.06 0.52 -2.81 0.00 0.00 179.45 177.13 1be2 h MET 10 N -1.00 0.06 0.00 1.90 2.86 0.18 -3.37 114.93 115.56 1be2 h MET 10 Ca -0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1be2 h MET 10 Cb 0.04 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1be2 h MET 10 CO -0.00 0.04 0.00 1.17 1.06 0.00 0.00 176.91 179.18 1be2 n LYS 11 N -5.32 0.00 -0.34 1.72 4.81 0.54 -0.71 118.16 118.85 1be2 n LYS 11 Ca 0.07 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.65 1be2 n LYS 11 Cb 0.31 0.00 0.35 0.00 0.02 0.00 0.00 35.03 35.71 1be2 n LYS 11 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1be2 h PRO 12 N 0.00 0.68 0.03 1.64 0.13 -1.83 0.37 132.00 133.02 1be2 h PRO 12 Ca 0.00 -0.04 -0.21 0.00 -0.87 0.00 0.00 66.00 64.87 1be2 h PRO 12 Cb 0.00 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 30.96 1be2 h PRO 12 CO 0.00 0.45 -1.00 0.00 -0.23 0.00 0.00 178.00 177.22 1be2 h LEU 14 N 0.04 0.33 1.01 0.00 3.38 0.11 1.00 115.31 121.19 1be2 h LEU 14 Ca -0.04 0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1be2 h LEU 14 Cb 1.71 0.11 0.01 0.00 0.09 0.00 0.00 40.66 42.58 1be2 h LEU 14 CO 0.14 0.05 -0.49 0.00 0.09 0.00 0.00 178.44 178.23 1be2 h THR 15 N 0.43 0.00 -0.85 0.22 1.03 -0.88 -1.77 112.91 111.09 1be2 h THR 15 Ca 0.51 -0.00 0.11 0.00 -0.01 0.00 0.00 66.41 67.02 1be2 h THR 15 Cb 0.90 0.00 -0.13 0.00 -1.07 0.00 0.00 68.15 67.85 1be2 h THR 15 CO -0.48 0.00 -0.39 0.00 -0.01 0.00 0.00 175.52 174.64 1be2 n TYR 16 N -5.66 -0.11 0.15 0.00 9.36 0.31 0.35 117.16 121.56 1be2 n TYR 16 Ca -0.17 1.06 0.09 0.00 3.32 0.00 0.00 57.90 62.19 1be2 n TYR 16 Cb 0.54 -0.73 0.59 0.00 -0.63 0.00 0.00 39.34 39.10 1be2 n TYR 16 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 1be2 h VAL 17 N 0.00 0.98 0.02 2.97 -1.51 -0.18 -0.17 116.25 118.36 1be2 h VAL 17 Ca 0.24 -0.05 -0.23 0.00 -1.23 0.00 0.00 66.70 65.44 1be2 h VAL 17 Cb 0.46 0.82 -0.03 0.00 -2.13 0.00 0.00 31.29 30.41 1be2 h VAL 17 CO -0.83 0.03 -1.10 0.06 -1.23 0.00 0.00 177.57 174.49 1be2 h GLN 18 N 0.15 0.03 0.00 5.19 3.07 0.79 0.83 115.11 125.17 1be2 h GLN 18 Ca 0.08 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.76 1be2 h GLN 18 Cb 0.14 0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.72 1be2 h GLN 18 CO -0.01 0.98 0.00 0.41 0.09 0.00 0.00 178.83 180.30 1be2 n GLY 19 N 1.39 -0.70 3.89 0.06 0.00 0.76 -4.76 105.19 105.83 1be2 n GLY 19 Ca -0.03 0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 1be2 n GLY 19 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1be2 s GLY 20 N 0.00 2.14 -0.66 -0.02 0.00 -0.59 -4.78 107.32 103.42 1be2 s GLY 20 Ca 0.00 -1.81 -0.06 0.00 0.00 0.00 0.00 44.72 42.84 1be2 s GLY 20 CO 0.00 -1.73 3.13 -1.05 0.00 0.00 0.00 173.10 173.45 1be2 n PRO 21 N -1.63 2.84 -4.18 2.90 -0.02 -1.26 -4.69 135.00 128.96 1be2 n PRO 21 Ca 0.04 -1.90 -0.26 0.00 -2.02 0.00 0.00 63.50 59.36 1be2 n PRO 21 Cb 0.62 -2.30 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 1be2 n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1be2 n GLY 22 N 2.31 3.60 3.29 -1.23 0.00 -1.26 -4.47 105.19 107.42 1be2 n GLY 22 Ca 0.55 -2.28 -0.44 0.00 0.00 0.00 0.00 46.02 43.86 1be2 n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1be2 s PRO 23 N -3.48 3.87 0.09 1.61 0.04 -1.26 -5.04 135.00 130.83 1be2 s PRO 23 Ca 0.04 -3.06 0.00 0.00 0.04 0.00 0.00 61.00 58.03 1be2 s PRO 23 Cb 0.00 -4.40 0.00 0.00 0.04 0.00 0.00 34.50 30.14 1be2 s PRO 23 CO 0.03 -1.25 0.17 0.43 0.04 0.00 0.00 177.00 176.42 1be2 n SER 24 N 2.92 0.00 0.00 6.66 7.64 -1.26 -4.61 113.62 124.97 1be2 n SER 24 Ca 0.21 0.06 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1be2 n SER 24 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1be2 n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1be2 n GLY 25 N -0.52 2.82 0.22 0.23 0.00 -1.26 -4.94 105.19 101.75 1be2 n GLY 25 Ca 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 46.02 45.33 1be2 n GLY 25 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1be2 n GLU 26 N 0.00 -0.09 -0.24 1.61 -0.00 -1.26 -1.57 120.64 119.09 1be2 n GLU 26 Ca 0.00 0.93 -0.07 0.00 -0.00 0.00 0.00 57.16 58.03 1be2 n GLU 26 Cb 0.00 -1.39 -0.06 0.00 -0.00 0.00 0.00 31.44 29.99 1be2 n GLU 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1be2 h ASN 29 N 0.12 -1.28 -0.59 0.00 2.35 -0.93 -1.11 115.58 114.13 1be2 h ASN 29 Ca 0.31 0.13 0.12 0.00 -0.55 0.00 0.00 56.30 56.31 1be2 h ASN 29 Cb 0.50 0.46 -0.11 0.00 0.05 0.00 0.00 38.32 39.22 1be2 h ASN 29 CO -0.52 -0.55 -0.13 1.23 -1.65 0.00 0.00 177.43 175.81 1be2 h GLY 30 N -0.78 0.45 0.60 2.83 0.00 0.11 0.53 103.07 106.81 1be2 h GLY 30 Ca -0.01 0.18 0.07 0.00 0.00 0.00 0.00 47.33 47.57 1be2 h GLY 30 CO -0.17 -0.22 0.37 -2.08 0.00 0.00 0.00 176.54 174.44 1be2 h VAL 31 N 0.01 0.92 -0.29 4.60 2.07 -0.27 0.20 116.25 123.50 1be2 h VAL 31 Ca 0.29 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1be2 h VAL 31 Cb 0.44 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1be2 h VAL 31 CO -0.59 0.12 0.13 0.03 0.02 0.00 0.00 177.57 177.27 1be2 h ARG 32 N 0.66 0.43 -0.86 1.57 3.08 0.12 0.49 114.38 119.86 1be2 h ARG 32 Ca 0.32 -0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.39 1be2 h ARG 32 Cb 0.26 -0.07 -0.11 0.00 0.08 0.00 0.00 29.97 30.13 1be2 h ARG 32 CO -0.22 0.43 -0.47 -0.25 -1.07 0.00 0.00 179.97 178.39 1be2 n ASP 33 N -4.76 -0.84 0.12 7.04 9.92 0.67 0.57 116.55 129.27 1be2 n ASP 33 Ca -0.02 1.53 -0.00 0.00 -0.53 0.00 0.00 54.79 55.76 1be2 n ASP 33 Cb 0.12 -0.23 0.04 0.00 -0.64 0.00 0.00 41.12 40.41 1be2 n ASP 33 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1be2 h LEU 34 N 0.00 0.00 -0.37 0.64 4.07 -1.14 0.27 115.31 118.78 1be2 h LEU 34 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.13 1be2 h LEU 34 Cb 0.39 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1be2 h LEU 34 CO -0.82 0.66 0.00 -0.74 -1.08 0.00 0.00 178.44 176.46 1be2 h HIS 35 N 0.00 0.00 0.01 1.13 2.76 0.29 0.97 115.15 120.31 1be2 h HIS 35 Ca -0.01 0.00 -0.41 0.00 -2.20 0.00 0.00 60.37 57.76 1be2 h HIS 35 Cb 1.40 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.30 1be2 h HIS 35 CO 0.00 0.00 -2.31 0.09 -1.30 0.00 0.00 177.93 174.41 1be2 n ASN 36 N -2.54 1.96 0.10 3.26 5.03 0.19 -4.53 115.26 118.74 1be2 n ASN 36 Ca 0.04 0.21 -0.03 0.00 0.87 0.00 0.00 54.58 55.67 1be2 n ASN 36 Cb 0.38 -0.73 0.01 0.00 -1.02 0.00 0.00 39.78 38.42 1be2 n ASN 36 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 1be2 h GLN 37 N -0.64 0.00 -5.62 3.52 4.20 -0.48 -3.43 115.11 112.66 1be2 h GLN 37 Ca -0.60 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 57.45 1be2 h GLN 37 Cb 1.69 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 29.38 1be2 h GLN 37 CO -0.26 0.78 -0.49 0.00 -0.67 0.00 0.00 178.83 178.19 1be2 s ALA 38 N -3.03 3.81 0.00 3.87 0.00 0.33 -5.01 121.76 121.73 1be2 s ALA 38 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1be2 s ALA 38 Cb 0.10 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.27 1be2 s ALA 38 CO 0.78 0.56 0.00 1.04 0.00 0.00 0.00 175.76 178.14 1be2 n GLN 39 N 2.19 0.00 -0.30 0.00 1.13 -1.26 -4.62 117.38 114.52 1be2 n GLN 39 Ca -0.19 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.87 1be2 n GLN 39 Cb 0.55 -0.82 0.00 0.00 0.11 0.00 0.00 30.24 30.07 1be2 n GLN 39 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1be2 n SER 40 N -2.46 0.27 0.19 1.08 2.88 -1.26 -4.88 113.62 109.44 1be2 n SER 40 Ca 0.00 -0.26 -0.09 0.00 -1.33 0.00 0.00 58.87 57.19 1be2 n SER 40 Cb 0.42 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.84 1be2 n SER 40 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1be2 h SER 41 N 0.00 -0.46 -0.01 -3.46 4.64 -1.91 -1.39 113.55 110.96 1be2 h SER 41 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1be2 h SER 41 Cb 0.00 0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1be2 h SER 41 CO 0.00 -0.03 -0.00 0.61 -0.87 0.00 0.00 176.83 176.54 1be2 n GLY 42 N 0.32 -0.01 0.03 -0.77 0.00 -1.26 0.50 105.19 104.00 1be2 n GLY 42 Ca -0.07 0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 1be2 n GLY 42 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1be2 n ASP 43 N -4.01 0.74 -0.14 1.61 5.75 -1.24 -4.06 116.55 115.20 1be2 n ASP 43 Ca 0.00 0.21 -0.03 0.00 -0.01 0.00 0.00 54.79 54.95 1be2 n ASP 43 Cb 0.00 -0.61 0.04 0.00 -1.03 0.00 0.00 41.12 39.52 1be2 n ASP 43 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1be2 h ARG 44 N -0.39 0.08 -0.99 0.11 -0.00 -0.73 0.11 114.38 112.57 1be2 h ARG 44 Ca 0.00 -0.01 0.16 0.00 -0.50 0.00 0.00 59.98 59.63 1be2 h ARG 44 Cb 0.33 -0.02 -0.10 0.00 0.00 0.00 0.00 29.97 30.19 1be2 h ARG 44 CO 0.00 0.06 0.61 0.37 0.00 0.00 0.00 179.97 181.00 1be2 h GLN 45 N 0.09 0.83 0.48 0.04 -0.00 -0.07 0.57 115.11 117.04 1be2 h GLN 45 Ca 0.22 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.65 58.80 1be2 h GLN 45 Cb 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 27.48 27.63 1be2 h GLN 45 CO -0.39 0.55 -0.23 1.15 0.00 0.00 0.00 178.83 179.91 1be2 h THR 46 N 0.85 0.00 -0.79 2.39 2.02 -1.07 0.12 112.91 116.43 1be2 h THR 46 Ca 0.54 -0.40 0.18 0.00 0.77 0.00 0.00 66.41 67.50 1be2 h THR 46 Cb 0.71 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.00 1be2 h THR 46 CO -0.33 0.00 0.23 0.58 0.37 0.00 0.00 175.52 176.37 1be2 h VAL 47 N -1.04 0.48 0.02 3.16 2.07 -0.68 -1.32 116.25 118.94 1be2 h VAL 47 Ca -0.07 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1be2 h VAL 47 Cb 0.49 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1be2 h VAL 47 CO 0.11 0.05 -0.02 0.00 0.02 0.00 0.00 177.57 177.73 1be2 n ASN 49 N -2.38 -0.02 -0.05 0.00 3.02 0.43 0.17 115.26 116.44 1be2 n ASN 49 Ca -0.00 1.43 -0.15 0.00 -0.03 0.00 0.00 54.58 55.83 1be2 n ASN 49 Cb 0.02 -0.56 -0.12 0.00 -0.61 0.00 0.00 39.78 38.50 1be2 n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1be2 h LEU 51 N -0.80 0.42 0.08 0.00 6.46 0.96 0.21 115.31 122.65 1be2 h LEU 51 Ca -0.02 0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1be2 h LEU 51 Cb 0.99 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.02 1be2 h LEU 51 CO 0.02 0.05 -0.04 0.50 -0.62 0.00 0.00 178.44 178.35 1be2 h LYS 52 N 0.47 -0.11 -0.56 1.25 3.64 -0.32 0.25 116.57 121.18 1be2 h LYS 52 Ca 0.56 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 60.00 1be2 h LYS 52 Cb 1.03 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.81 1be2 h LYS 52 CO -0.49 -0.08 -0.32 0.41 -2.27 0.00 0.00 179.45 176.70 1be2 n GLY 53 N -1.06 -1.42 0.51 5.01 0.00 0.53 0.40 105.19 109.16 1be2 n GLY 53 Ca -0.01 0.66 -0.20 0.00 0.00 0.00 0.00 46.02 46.46 1be2 n GLY 53 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1be2 h ILE 54 N 0.00 0.04 -0.92 -0.61 3.07 -0.82 0.16 117.51 118.43 1be2 h ILE 54 Ca 0.10 -0.03 0.37 0.00 1.55 0.00 0.00 64.86 66.85 1be2 h ILE 54 Cb 0.24 0.04 -0.15 0.00 -0.27 0.00 0.00 36.82 36.68 1be2 h ILE 54 CO -0.53 0.00 0.52 0.00 -1.05 0.00 0.00 178.15 177.09 1be2 n ALA 55 N -2.66 0.94 -0.03 0.16 0.00 0.16 0.11 120.51 119.19 1be2 n ALA 55 Ca -0.16 0.87 -0.16 0.00 0.00 0.00 0.00 53.44 53.99 1be2 n ALA 55 Cb 0.51 -0.90 -0.13 0.00 0.00 0.00 0.00 19.45 18.93 1be2 n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1be2 h ARG 56 N 0.00 0.12 -2.07 0.00 3.08 -0.35 -3.36 114.38 111.80 1be2 h ARG 56 Ca 0.75 -0.17 -0.37 0.00 0.07 0.00 0.00 59.98 60.26 1be2 h ARG 56 Cb 2.04 0.06 -0.11 0.00 0.08 0.00 0.00 29.97 32.04 1be2 h ARG 56 CO -0.63 1.02 0.26 0.41 -1.07 0.00 0.00 179.97 179.96 1be2 n GLY 57 N 1.41 3.74 3.50 0.04 0.00 0.30 -4.84 105.19 109.33 1be2 n GLY 57 Ca -0.11 -1.55 -0.24 0.00 0.00 0.00 0.00 46.02 44.12 1be2 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1be2 s ILE 58 N -0.45 2.11 0.00 -0.61 1.01 -1.06 -4.88 121.20 117.32 1be2 s ILE 58 Ca 0.63 -2.21 0.00 0.00 0.00 0.00 0.00 60.65 59.07 1be2 s ILE 58 Cb 0.34 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 40.27 1be2 s ILE 58 CO -0.10 -0.26 0.81 1.57 0.00 0.00 0.00 174.94 176.95 1be2 n HIS 59 N -0.71 0.00 -2.72 3.97 -0.00 -1.26 -4.30 115.22 110.19 1be2 n HIS 59 Ca -0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.58 1be2 n HIS 59 Cb 0.63 -0.38 0.10 0.00 -0.00 0.00 0.00 29.99 30.33 1be2 n HIS 59 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1be2 n ASN 60 N -2.66 -2.24 0.00 0.26 4.05 -1.26 -5.12 115.26 108.30 1be2 n ASN 60 Ca 0.00 -3.41 0.00 0.00 0.45 0.00 0.00 54.58 51.62 1be2 n ASN 60 Cb 0.00 1.72 0.00 0.00 1.23 0.00 0.00 39.78 42.73 1be2 n ASN 60 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1be2 n LEU 61 N 0.14 0.00 -4.34 1.20 -0.00 -1.26 -4.79 117.00 107.95 1be2 n LEU 61 Ca 0.04 0.00 -0.46 0.00 -0.00 0.00 0.00 56.01 55.59 1be2 n LEU 61 Cb 0.73 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 44.14 1be2 n LEU 61 CO 0.01 0.00 0.60 0.21 -0.00 0.00 0.00 177.39 178.21 1be2 s ASN 62 N 0.00 6.98 0.00 1.96 3.04 0.28 -4.93 114.94 122.27 1be2 s ASN 62 Ca 0.00 -3.01 0.00 0.00 0.04 0.00 0.00 52.86 49.89 1be2 s ASN 62 Cb 0.00 -2.22 0.00 0.00 -1.54 0.00 0.00 41.25 37.49 1be2 s ASN 62 CO 0.00 -0.49 0.00 -0.11 -3.04 0.00 0.00 177.10 173.46 1be2 n LEU 63 N 3.63 0.00 -0.38 3.21 0.00 -1.26 0.26 117.00 122.46 1be2 n LEU 63 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 56.01 56.15 1be2 n LEU 63 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.85 1be2 n LEU 63 CO 0.39 0.00 0.52 -3.20 0.00 0.00 0.00 177.39 175.11 1be2 n ASN 64 N -3.37 -0.75 0.03 1.96 5.15 -1.26 -0.48 115.26 116.54 1be2 n ASN 64 Ca 0.00 1.67 -0.13 0.00 -0.60 0.00 0.00 54.58 55.52 1be2 n ASN 64 Cb 0.00 -0.33 -0.07 0.00 -0.53 0.00 0.00 39.78 38.86 1be2 n ASN 64 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 1be2 h ASN 65 N 0.00 -1.31 -0.23 1.20 2.35 -0.52 0.13 115.58 117.20 1be2 h ASN 65 Ca 0.27 0.17 0.06 0.00 -0.55 0.00 0.00 56.30 56.24 1be2 h ASN 65 Cb 0.51 0.52 -0.07 0.00 0.05 0.00 0.00 38.32 39.33 1be2 h ASN 65 CO -0.93 -0.44 -0.30 0.00 -1.65 0.00 0.00 177.43 174.11 1be2 h ALA 66 N 0.03 -0.25 -0.85 -0.83 0.00 -0.84 -1.64 119.26 114.89 1be2 h ALA 66 Ca 0.06 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1be2 h ALA 66 Cb 0.64 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1be2 h ALA 66 CO -0.36 -0.74 0.54 0.00 0.00 0.00 0.00 179.25 178.69 1be2 h ALA 67 N 0.62 1.13 -0.58 0.00 0.00 -0.49 -1.00 119.26 118.95 1be2 h ALA 67 Ca 0.13 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.12 1be2 h ALA 67 Cb 0.52 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 1be2 h ALA 67 CO -0.41 0.34 0.11 1.03 0.00 0.00 0.00 179.25 180.32 1be2 h SER 68 N 1.02 -0.03 -0.16 0.00 0.87 0.08 -1.82 113.55 113.52 1be2 h SER 68 Ca 0.35 0.11 0.03 0.00 -1.23 0.00 0.00 61.79 61.05 1be2 h SER 68 Cb 0.06 0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.13 1be2 h SER 68 CO -0.14 -0.00 -0.40 0.40 -0.53 0.00 0.00 176.83 176.16 1be2 h ILE 69 N 0.24 0.00 -0.35 2.23 1.08 -0.29 0.37 117.51 120.79 1be2 h ILE 69 Ca 0.30 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.87 1be2 h ILE 69 Cb 0.45 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.18 1be2 h ILE 69 CO -0.40 0.00 0.26 1.55 -0.69 0.00 0.00 178.15 178.86 1be2 h PRO 70 N -0.38 0.00 -0.13 2.37 0.13 -1.57 -2.25 132.00 130.17 1be2 h PRO 70 Ca 0.03 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.99 1be2 h PRO 70 Cb 0.48 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.61 1be2 h PRO 70 CO -0.35 0.00 -0.58 1.03 -0.23 0.00 0.00 178.00 177.87 1be2 h SER 71 N 0.00 0.74 -0.41 1.44 0.87 -0.25 0.54 113.55 116.48 1be2 h SER 71 Ca 0.17 -0.63 0.09 0.00 -1.23 0.00 0.00 61.79 60.19 1be2 h SER 71 Cb 0.68 -0.22 -0.09 0.00 -0.44 0.00 0.00 62.40 62.33 1be2 h SER 71 CO -0.00 1.24 -0.18 0.11 -0.53 0.00 0.00 176.83 177.47 1be2 h LYS 72 N 0.28 -0.10 -0.79 2.24 1.57 0.21 0.40 116.57 120.38 1be2 h LYS 72 Ca -0.03 0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.56 1be2 h LYS 72 Cb 1.21 0.02 -0.12 0.00 0.08 0.00 0.00 32.23 33.43 1be2 h LYS 72 CO 0.12 -0.07 0.25 0.00 -0.57 0.00 0.00 179.45 179.18 1be2 n ASN 74 N -0.09 0.00 -1.84 0.00 3.02 0.17 -4.69 115.26 111.83 1be2 n ASN 74 Ca 0.36 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.82 1be2 n ASN 74 Cb 1.28 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 40.37 1be2 n ASN 74 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1be2 n VAL 75 N -0.94 2.62 -0.94 2.41 0.31 0.12 -4.88 118.33 117.03 1be2 n VAL 75 Ca 0.00 -1.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.08 1be2 n VAL 75 Cb 0.00 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.22 1be2 n VAL 75 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1be2 n ASN 76 N 1.78 0.00 -4.09 4.52 2.04 -1.26 -4.88 115.26 113.37 1be2 n ASN 76 Ca 0.26 0.00 -0.14 0.00 -0.44 0.00 0.00 54.58 54.26 1be2 n ASN 76 Cb 0.69 0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.83 1be2 n ASN 76 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1be2 s VAL 77 N -0.92 0.64 0.18 3.53 0.11 -1.26 -5.04 120.40 117.64 1be2 s VAL 77 Ca 0.00 -1.20 -0.13 0.00 -2.93 0.00 0.00 61.98 57.72 1be2 s VAL 77 Cb 0.00 -0.79 0.09 0.00 -1.53 0.00 0.00 36.38 34.15 1be2 s VAL 77 CO 0.00 -0.41 1.83 -0.65 -3.33 0.00 0.00 175.10 172.54 1be2 h PRO 78 N 4.30 0.67 -6.81 1.54 0.11 -2.00 -3.47 132.00 126.35 1be2 h PRO 78 Ca -0.36 -0.04 -0.49 0.00 0.11 0.00 0.00 66.00 65.22 1be2 h PRO 78 Cb 1.20 -0.15 0.03 0.00 0.11 0.00 0.00 31.00 32.18 1be2 h PRO 78 CO 0.43 0.45 0.02 1.52 -0.21 0.00 0.00 178.00 180.21 1be2 s TYR 79 N -6.14 3.54 0.00 0.65 -0.85 -1.26 -4.86 117.35 108.43 1be2 s TYR 79 Ca -0.13 0.69 0.00 0.00 -0.52 0.00 0.00 57.07 57.11 1be2 s TYR 79 Cb 0.13 -2.19 0.00 0.00 0.38 0.00 0.00 41.96 40.28 1be2 s TYR 79 CO 0.75 -0.16 0.00 0.25 -1.52 0.00 0.00 175.55 174.87 1be2 n THR 80 N -2.08 0.00 -2.31 -3.49 -2.24 -1.26 -4.82 114.28 98.07 1be2 n THR 80 Ca -0.01 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 1be2 n THR 80 Cb 0.55 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1be2 n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1be2 n ILE 81 N 0.00 3.93 -4.21 2.28 0.13 -1.26 -4.88 119.36 115.35 1be2 n ILE 81 Ca 0.00 -3.92 -0.27 0.00 -1.10 0.00 0.00 62.75 57.46 1be2 n ILE 81 Cb 0.00 -2.46 -0.08 0.00 -0.84 0.00 0.00 39.64 36.26 1be2 n ILE 81 CO 0.00 0.00 0.00 -0.44 2.80 0.00 0.00 176.55 178.91 1be2 s SER 82 N 2.92 4.71 0.15 9.51 0.01 -1.26 -4.75 113.70 124.99 1be2 s SER 82 Ca 0.47 -0.39 -0.22 0.00 1.31 0.00 0.00 55.95 57.12 1be2 s SER 82 Cb 0.07 -0.99 0.03 0.00 0.21 0.00 0.00 66.02 65.35 1be2 s SER 82 CO -0.01 0.11 1.63 1.55 0.41 0.00 0.00 173.24 176.94 1be2 h PRO 83 N 2.90 -0.22 -4.09 12.44 0.13 -1.84 -3.34 132.00 137.98 1be2 h PRO 83 Ca -0.47 0.02 -0.70 0.00 -0.87 0.00 0.00 66.00 63.97 1be2 h PRO 83 Cb 1.19 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 1be2 h PRO 83 CO 0.57 -0.15 3.06 -3.47 -0.23 0.00 0.00 178.00 177.78 1be2 n ASP 84 N -5.37 3.82 -5.01 1.44 2.03 -1.26 -4.91 116.55 107.29 1be2 n ASP 84 Ca -0.01 -2.83 -0.17 0.00 0.52 0.00 0.00 54.79 52.30 1be2 n ASP 84 Cb 0.28 -1.63 0.01 0.00 -0.72 0.00 0.00 41.12 39.07 1be2 n ASP 84 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1be2 s ILE 85 N 3.36 3.01 -0.19 5.18 1.01 -1.26 -4.69 121.20 127.62 1be2 s ILE 85 Ca 0.48 -0.97 0.16 0.00 0.00 0.00 0.00 60.65 60.31 1be2 s ILE 85 Cb 0.14 -3.02 0.34 0.00 0.01 0.00 0.00 42.46 39.93 1be2 s ILE 85 CO -0.07 -0.01 1.23 -0.67 0.00 0.00 0.00 174.94 175.42 1be2 n ASP 86 N -1.88 2.86 0.00 3.58 2.03 -1.26 -4.89 116.55 116.99 1be2 n ASP 86 Ca 0.08 -2.87 0.00 0.00 0.52 0.00 0.00 54.79 52.52 1be2 n ASP 86 Cb 0.59 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 1be2 n ASP 86 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1be2 h SER 88 N 0.00 -0.22 0.00 0.00 0.02 -1.94 -3.37 113.55 108.05 1be2 h SER 88 Ca 0.00 0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 60.90 1be2 h SER 88 Cb 0.00 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1be2 h SER 88 CO 0.00 -0.07 -1.53 -2.11 -1.14 0.00 0.00 176.83 171.98 1be2 n ARG 89 N -5.22 2.43 -3.52 3.45 1.85 -0.51 -4.91 116.66 110.24 1be2 n ARG 89 Ca -0.01 -0.01 -0.19 0.00 -1.00 0.00 0.00 57.85 56.63 1be2 n ARG 89 Cb 0.15 -1.20 0.00 0.00 -1.05 0.00 0.00 32.46 30.36 1be2 n ARG 89 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1be2 n ILE 90 N -2.24 -1.73 -1.09 8.89 5.41 -0.53 -5.00 119.36 123.07 1be2 n ILE 90 Ca -0.12 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.50 1be2 n ILE 90 Cb 0.70 -1.52 0.00 0.00 -0.71 0.00 0.00 39.64 38.11 1be2 n ILE 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55