#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1be2 s ASN 2 N 0.00 1.86 0.30 1.45 3.84 -1.26 -5.04 114.94 116.09 1be2 s ASN 2 Ca 0.00 -0.47 0.02 0.00 0.21 0.00 0.00 52.86 52.62 1be2 s ASN 2 Cb 0.00 -0.13 0.74 0.00 -0.55 0.00 0.00 41.25 41.31 1be2 s ASN 2 CO 0.00 0.07 1.53 0.00 -2.79 0.00 0.00 177.10 175.91 1be2 h GLY 4 N 0.00 0.33 0.78 0.00 0.00 -1.98 -0.50 103.07 101.69 1be2 h GLY 4 Ca 0.59 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.68 1be2 h GLY 4 CO -0.92 0.22 -0.08 -1.61 0.00 0.00 0.00 176.54 174.15 1be2 h GLN 5 N 0.28 -0.20 -0.43 4.80 -0.00 -0.76 0.11 115.11 118.90 1be2 h GLN 5 Ca 0.05 0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.76 1be2 h GLN 5 Cb 0.51 0.05 -0.06 0.00 0.00 0.00 0.00 27.48 27.97 1be2 h GLN 5 CO 0.03 0.04 -0.36 0.28 0.00 0.00 0.00 178.83 178.83 1be2 h VAL 6 N -0.44 0.00 -0.37 2.39 2.07 -0.76 0.43 116.25 119.58 1be2 h VAL 6 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1be2 h VAL 6 Cb 0.34 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1be2 h VAL 6 CO 0.04 0.00 0.23 -0.78 0.02 0.00 0.00 177.57 177.08 1be2 h ASP 7 N -0.13 0.43 0.01 0.57 1.82 -1.03 0.18 116.42 118.27 1be2 h ASP 7 Ca 0.07 -0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1be2 h ASP 7 Cb 0.31 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.22 1be2 h ASP 7 CO -0.47 0.32 -0.00 0.28 -1.61 0.00 0.00 179.24 177.76 1be2 h SER 8 N 0.49 0.00 0.02 2.28 0.02 0.44 0.35 113.55 117.14 1be2 h SER 8 Ca 0.13 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1be2 h SER 8 Cb -0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1be2 h SER 8 CO -0.03 0.00 -0.01 0.50 -1.14 0.00 0.00 176.83 176.16 1be2 h LYS 9 N 0.00 -0.02 0.27 3.45 3.11 0.84 -3.36 116.57 120.86 1be2 h LYS 9 Ca -0.00 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.84 1be2 h LYS 9 Cb 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.24 1be2 h LYS 9 CO 0.00 0.65 -0.19 0.52 -2.81 0.00 0.00 179.45 177.62 1be2 h MET 10 N -0.97 -0.44 -0.11 1.90 2.86 -0.31 -3.37 114.93 114.50 1be2 h MET 10 Ca -0.00 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1be2 h MET 10 Cb 0.68 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 1be2 h MET 10 CO 0.00 -0.29 -0.07 1.17 1.06 0.00 0.00 176.91 178.79 1be2 n LYS 11 N -5.31 -0.05 -0.22 1.72 4.81 0.12 0.67 118.16 119.90 1be2 n LYS 11 Ca -0.09 0.20 -0.06 0.00 -0.87 0.00 0.00 58.31 57.49 1be2 n LYS 11 Cb 0.22 -0.30 -0.01 0.00 0.02 0.00 0.00 35.03 34.97 1be2 n LYS 11 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1be2 h PRO 12 N 0.00 -0.17 -0.58 1.64 0.11 -1.79 -0.14 132.00 131.08 1be2 h PRO 12 Ca 0.02 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 1be2 h PRO 12 Cb 0.05 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.17 1be2 h PRO 12 CO -0.11 -0.11 0.26 0.00 -0.21 0.00 0.00 178.00 177.83 1be2 h LEU 14 N 0.82 -0.23 -0.36 0.00 3.38 0.12 0.70 115.31 119.74 1be2 h LEU 14 Ca 0.20 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.36 1be2 h LEU 14 Cb 0.12 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 1be2 h LEU 14 CO -0.02 -0.08 -0.35 0.00 0.09 0.00 0.00 178.44 178.08 1be2 h THR 15 N 0.10 0.21 -0.22 0.22 1.03 -0.21 0.35 112.91 114.39 1be2 h THR 15 Ca 0.23 0.00 0.04 0.00 -0.01 0.00 0.00 66.41 66.67 1be2 h THR 15 Cb 0.35 0.21 -0.07 0.00 -1.07 0.00 0.00 68.15 67.57 1be2 h THR 15 CO -0.40 0.00 -0.55 0.22 -0.01 0.00 0.00 175.52 174.78 1be2 h TYR 16 N -0.29 -1.65 -0.07 0.00 3.20 0.85 0.52 116.97 119.52 1be2 h TYR 16 Ca 0.15 0.07 0.02 0.00 3.14 0.00 0.00 58.73 62.11 1be2 h TYR 16 Cb 0.55 0.75 -0.00 0.00 1.54 0.00 0.00 36.73 39.57 1be2 h TYR 16 CO -0.54 -0.53 0.12 -0.39 -1.64 0.00 0.00 178.16 175.19 1be2 h VAL 17 N -0.52 0.32 0.00 1.81 -1.51 0.49 -1.05 116.25 115.79 1be2 h VAL 17 Ca 0.04 0.00 -0.25 0.00 -1.23 0.00 0.00 66.70 65.27 1be2 h VAL 17 Cb 0.65 0.90 -0.04 0.00 -2.13 0.00 0.00 31.29 30.66 1be2 h VAL 17 CO -0.49 0.00 -1.93 0.00 -1.23 0.00 0.00 177.57 173.92 1be2 n GLN 18 N -3.54 0.66 0.00 5.19 10.64 0.02 0.46 117.38 130.80 1be2 n GLN 18 Ca -0.01 0.09 0.00 0.00 -1.83 0.00 0.00 57.00 55.25 1be2 n GLN 18 Cb 0.21 -1.65 0.00 0.00 -0.86 0.00 0.00 30.24 27.94 1be2 n GLN 18 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1be2 n GLY 19 N 1.54 -0.97 3.66 2.61 0.00 0.16 -4.76 105.19 107.44 1be2 n GLY 19 Ca -0.19 0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 1.74 -1.35 -0.02 0.00 -0.03 -4.79 107.32 102.88 1be2 s GLY 20 Ca 0.00 -1.71 -0.06 0.00 0.00 0.00 0.00 44.72 42.95 1be2 s GLY 20 CO 0.00 -1.74 2.39 -1.55 0.00 0.00 0.00 173.10 172.20 1be2 n PRO 21 N -0.96 4.43 -4.16 2.90 -0.04 -1.26 -4.61 135.00 131.31 1be2 n PRO 21 Ca -0.06 -3.36 -0.27 0.00 -0.04 0.00 0.00 63.50 59.78 1be2 n PRO 21 Cb 0.60 -2.67 -0.05 0.00 -0.04 0.00 0.00 33.50 31.33 1be2 n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1be2 n GLY 22 N 1.98 3.58 3.74 0.55 0.00 -1.26 -4.74 105.19 109.04 1be2 n GLY 22 Ca 0.62 -2.34 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 1be2 n GLY 22 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1be2 s PRO 23 N -3.57 2.05 -0.56 1.61 0.02 -1.26 -5.05 135.00 128.25 1be2 s PRO 23 Ca 0.03 1.37 -0.01 0.00 0.02 0.00 0.00 61.00 62.41 1be2 s PRO 23 Cb -0.00 -1.86 0.45 0.00 0.02 0.00 0.00 34.50 33.11 1be2 s PRO 23 CO 0.02 -1.82 1.99 0.45 -0.33 0.00 0.00 177.00 177.30 1be2 n SER 24 N -3.38 6.64 0.00 2.53 2.88 -1.26 -4.96 113.62 116.07 1be2 n SER 24 Ca 0.10 -3.61 0.00 0.00 -1.33 0.00 0.00 58.87 54.04 1be2 n SER 24 Cb 0.52 -0.95 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 1be2 n SER 24 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1be2 n GLY 25 N -0.75 0.87 0.55 0.46 0.00 -1.26 -4.35 105.19 100.71 1be2 n GLY 25 Ca 0.56 -0.01 0.33 0.00 0.00 0.00 0.00 46.02 46.91 1be2 n GLY 25 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1be2 h GLU 26 N 0.00 0.00 0.00 1.61 -0.00 -1.98 -1.72 114.58 112.49 1be2 h GLU 26 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1be2 h GLU 26 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1be2 h GLU 26 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.01 179.01 1be2 n ASN 29 N -4.60 0.00 -0.20 0.00 4.13 -1.16 -0.30 115.26 113.12 1be2 n ASN 29 Ca 0.03 0.69 -0.00 0.00 1.68 0.00 0.00 54.58 56.98 1be2 n ASN 29 Cb 0.15 -0.19 0.11 0.00 -1.54 0.00 0.00 39.78 38.30 1be2 n ASN 29 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1be2 h GLY 30 N 0.00 0.85 0.44 7.41 0.00 0.13 -0.92 103.07 110.97 1be2 h GLY 30 Ca 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 1be2 h GLY 30 CO 0.00 -0.01 -0.48 -2.08 0.00 0.00 0.00 176.54 173.97 1be2 h VAL 31 N 0.41 0.06 -0.24 4.60 2.07 -0.18 -0.44 116.25 122.53 1be2 h VAL 31 Ca 0.30 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.88 1be2 h VAL 31 Cb 0.37 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.14 1be2 h VAL 31 CO -0.30 0.00 -0.18 0.03 0.02 0.00 0.00 177.57 177.14 1be2 h ARG 32 N -0.89 -0.16 -0.28 1.57 3.08 -0.42 0.21 114.38 117.49 1be2 h ARG 32 Ca -0.04 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.08 1be2 h ARG 32 Cb 0.81 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.82 1be2 h ARG 32 CO -0.12 -0.11 -0.46 -0.44 -1.07 0.00 0.00 179.97 177.77 1be2 h ASP 33 N -0.17 -1.49 -1.00 7.04 5.19 -0.75 0.76 116.42 126.00 1be2 h ASP 33 Ca 0.14 0.21 0.15 0.00 -0.62 0.00 0.00 57.03 56.90 1be2 h ASP 33 Cb 0.37 0.62 -0.09 0.00 0.18 0.00 0.00 39.33 40.41 1be2 h ASP 33 CO -0.34 -0.41 0.62 -0.07 -3.12 0.00 0.00 179.24 175.92 1be2 h LEU 34 N -0.43 0.85 -1.71 1.55 4.07 0.07 0.36 115.31 120.07 1be2 h LEU 34 Ca 0.10 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.10 1be2 h LEU 34 Cb 0.62 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.26 1be2 h LEU 34 CO -0.50 0.39 -0.12 -0.74 -1.08 0.00 0.00 178.44 176.39 1be2 h HIS 35 N 0.87 0.00 0.01 1.13 2.76 0.22 0.62 115.15 120.76 1be2 h HIS 35 Ca 0.53 0.00 -0.38 0.00 -2.20 0.00 0.00 60.37 58.32 1be2 h HIS 35 Cb 0.69 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.58 1be2 h HIS 35 CO -0.00 0.12 -2.38 0.09 -1.30 0.00 0.00 177.93 174.45 1be2 n ASN 36 N -3.43 1.22 0.05 3.26 5.03 0.19 -4.55 115.26 117.03 1be2 n ASN 36 Ca -0.01 -0.04 -0.20 0.00 0.87 0.00 0.00 54.58 55.20 1be2 n ASN 36 Cb 0.29 0.09 -0.14 0.00 -1.02 0.00 0.00 39.78 39.00 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 0.00 0.37 -5.36 3.52 4.20 -0.40 -3.43 115.11 114.01 1be2 h GLN 37 Ca -0.55 -0.57 -0.61 0.00 0.06 0.00 0.00 58.65 56.99 1be2 h GLN 37 Cb 2.04 0.20 -0.11 0.00 0.30 0.00 0.00 27.48 29.91 1be2 h GLN 37 CO -0.03 1.25 -0.47 0.00 -0.67 0.00 0.00 178.83 178.91 1be2 s ALA 38 N -2.65 3.71 0.00 3.87 0.00 0.21 -4.94 121.76 121.95 1be2 s ALA 38 Ca -0.13 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1be2 s ALA 38 Cb 0.02 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.97 1be2 s ALA 38 CO 0.85 0.22 0.00 1.04 0.00 0.00 0.00 175.76 177.87 1be2 n GLN 39 N 3.29 0.96 -1.99 0.00 6.02 -1.26 -4.59 117.38 119.81 1be2 n GLN 39 Ca -0.16 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.55 1be2 n GLN 39 Cb 0.52 -0.78 0.11 0.00 1.02 0.00 0.00 30.24 31.12 1be2 n GLN 39 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1be2 s SER 40 N -2.93 4.20 -0.03 1.08 1.04 -1.26 -4.71 113.70 111.09 1be2 s SER 40 Ca 0.00 0.55 0.03 0.00 0.48 0.00 0.00 55.95 57.01 1be2 s SER 40 Cb 0.00 -0.95 0.14 0.00 0.10 0.00 0.00 66.02 65.31 1be2 s SER 40 CO 0.00 -2.06 0.80 -1.54 0.98 0.00 0.00 173.24 171.42 1be2 n SER 41 N -3.34 1.63 -0.05 7.02 3.41 -1.26 -0.79 113.62 120.23 1be2 n SER 41 Ca 0.10 -2.14 -0.09 0.00 -0.26 0.00 0.00 58.87 56.49 1be2 n SER 41 Cb 0.60 -0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 64.06 1be2 n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1be2 n GLY 42 N 0.23 -0.16 0.13 5.00 0.00 -1.26 -4.45 105.19 104.68 1be2 n GLY 42 Ca 0.05 -0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.04 1.92 -0.27 1.61 5.68 -1.08 -3.60 116.55 117.77 1be2 n ASP 43 Ca -0.20 0.33 -0.00 0.00 -0.50 0.00 0.00 54.79 54.42 1be2 n ASP 43 Cb 0.69 -0.76 0.12 0.00 -1.14 0.00 0.00 41.12 40.03 1be2 n ASP 43 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1be2 h ARG 44 N -0.98 0.81 -0.70 0.11 2.43 -1.23 0.11 114.38 114.92 1be2 h ARG 44 Ca -0.31 -0.05 0.10 0.00 -0.81 0.00 0.00 59.98 58.91 1be2 h ARG 44 Cb 1.26 -0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 30.56 1be2 h ARG 44 CO -0.19 0.53 0.33 0.37 -1.51 0.00 0.00 179.97 179.51 1be2 h GLN 45 N 0.83 0.54 0.58 0.20 -0.00 -1.77 0.39 115.11 115.89 1be2 h GLN 45 Ca 0.34 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.94 1be2 h GLN 45 Cb 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.53 1be2 h GLN 45 CO -0.18 0.36 -0.51 1.15 0.00 0.00 0.00 178.83 179.64 1be2 h THR 46 N 0.56 0.00 -0.72 2.39 2.02 -0.94 0.71 112.91 116.93 1be2 h THR 46 Ca 0.35 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.68 1be2 h THR 46 Cb 0.40 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.68 1be2 h THR 46 CO -0.29 0.00 -0.13 0.58 0.37 0.00 0.00 175.52 176.05 1be2 h VAL 47 N -1.07 0.30 0.30 3.16 2.07 -0.56 -1.76 116.25 118.69 1be2 h VAL 47 Ca -0.07 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1be2 h VAL 47 Cb 0.91 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1be2 h VAL 47 CO -0.02 0.00 -0.36 0.00 0.02 0.00 0.00 177.57 177.22 1be2 h ASN 49 N -0.67 -0.36 0.75 0.00 2.35 -0.06 0.32 115.58 117.92 1be2 h ASN 49 Ca -0.04 0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.86 1be2 h ASN 49 Cb 0.59 0.33 0.00 0.00 0.05 0.00 0.00 38.32 39.29 1be2 h ASN 49 CO -0.07 -0.16 -0.41 0.00 -1.65 0.00 0.00 177.43 175.14 1be2 h LEU 51 N -1.07 0.71 -0.62 0.00 6.46 -0.17 0.20 115.31 120.82 1be2 h LEU 51 Ca -0.10 0.07 -0.11 0.00 -0.12 0.00 0.00 57.88 57.62 1be2 h LEU 51 Cb 0.84 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.69 1be2 h LEU 51 CO 0.14 0.34 -0.09 0.50 -0.62 0.00 0.00 178.44 178.72 1be2 h LYS 52 N 0.79 1.00 0.43 1.25 3.64 -0.28 -1.32 116.57 122.08 1be2 h LYS 52 Ca 0.47 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1be2 h LYS 52 Cb 0.57 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1be2 h LYS 52 CO -0.31 1.03 -0.21 0.78 -2.27 0.00 0.00 179.45 178.48 1be2 h GLY 53 N 0.96 -0.61 0.19 5.01 0.00 0.25 -0.85 103.07 108.02 1be2 h GLY 53 Ca 0.15 0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.76 1be2 h GLY 53 CO 0.04 -0.22 -0.19 0.16 0.00 0.00 0.00 176.54 176.33 1be2 h ILE 54 N -0.81 0.47 -1.07 2.60 3.07 -0.71 0.37 117.51 121.44 1be2 h ILE 54 Ca -0.06 0.00 0.36 0.00 1.55 0.00 0.00 64.86 66.71 1be2 h ILE 54 Cb 0.55 0.47 -0.15 0.00 -0.27 0.00 0.00 36.82 37.41 1be2 h ILE 54 CO 0.10 0.00 0.62 0.00 -1.05 0.00 0.00 178.15 177.82 1be2 h ALA 55 N 0.97 2.17 0.00 0.16 0.00 -1.01 0.82 119.26 122.37 1be2 h ALA 55 Ca 0.15 0.19 -0.17 0.00 0.00 0.00 0.00 54.91 55.07 1be2 h ALA 55 Cb 0.40 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1be2 h ALA 55 CO -0.38 -0.82 -0.82 0.00 0.00 0.00 0.00 179.25 177.23 1be2 h ARG 56 N 0.21 0.00 -1.52 0.00 3.08 0.11 -3.35 114.38 112.91 1be2 h ARG 56 Ca 0.77 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 60.11 1be2 h ARG 56 Cb 1.98 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 31.73 1be2 h ARG 56 CO -0.59 0.82 0.78 0.41 -1.07 0.00 0.00 179.97 180.32 1be2 n GLY 57 N 1.28 5.74 0.00 0.04 0.00 0.28 -4.94 105.19 107.59 1be2 n GLY 57 Ca 0.01 -2.44 0.00 0.00 0.00 0.00 0.00 46.02 43.58 1be2 n GLY 57 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1be2 n ILE 58 N -0.69 0.00 0.00 -0.61 5.41 -1.05 -4.93 119.36 117.50 1be2 n ILE 58 Ca 0.56 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.31 1be2 n ILE 58 Cb 0.46 -0.03 0.00 0.00 -0.71 0.00 0.00 39.64 39.37 1be2 n ILE 58 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1be2 n HIS 59 N 0.00 0.00 -3.17 1.39 -0.00 -1.26 -4.84 115.22 107.34 1be2 n HIS 59 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.53 1be2 n HIS 59 Cb 0.00 -0.10 -0.03 0.00 -0.00 0.00 0.00 29.99 29.85 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 -1.53 1.09 -0.73 0.26 4.05 -1.26 -5.09 115.26 112.04 1be2 n ASN 60 Ca 0.00 -3.04 -0.10 0.00 0.45 0.00 0.00 54.58 51.89 1be2 n ASN 60 Cb 0.00 -0.62 -0.02 0.00 1.23 0.00 0.00 39.78 40.38 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 0.34 0.17 -4.27 1.20 -0.00 -1.26 -4.73 117.00 108.46 1be2 n LEU 61 Ca 0.25 0.17 -0.43 0.00 -0.00 0.00 0.00 56.01 56.00 1be2 n LEU 61 Cb 0.62 -0.14 -0.03 0.00 -0.00 0.00 0.00 43.42 43.88 1be2 n LEU 61 CO 0.22 -0.13 0.51 0.21 -0.00 0.00 0.00 177.39 178.20 1be2 s ASN 62 N 0.58 6.67 0.00 1.96 2.47 0.17 -4.95 114.94 121.84 1be2 s ASN 62 Ca 0.17 -3.26 0.00 0.00 0.42 0.00 0.00 52.86 50.19 1be2 s ASN 62 Cb -0.24 -2.11 0.00 0.00 -1.45 0.00 0.00 41.25 37.45 1be2 s ASN 62 CO 0.12 -0.37 0.00 0.00 -3.72 0.00 0.00 177.10 173.14 1be2 n LEU 63 N 3.11 0.00 -0.39 3.21 -0.00 -1.26 -0.40 117.00 121.27 1be2 n LEU 63 Ca 0.18 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.09 1be2 n LEU 63 Cb 0.41 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.74 1be2 n LEU 63 CO 0.39 0.00 0.47 -3.20 -0.00 0.00 0.00 177.39 175.05 1be2 n ASN 64 N -3.24 -0.98 -0.00 1.45 2.85 -1.26 -1.02 115.26 113.06 1be2 n ASN 64 Ca 0.00 1.70 -0.15 0.00 -0.11 0.00 0.00 54.58 56.02 1be2 n ASN 64 Cb 0.00 -0.24 -0.10 0.00 1.24 0.00 0.00 39.78 40.68 1be2 n ASN 64 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 1be2 h ASN 65 N 0.00 -1.72 -0.67 1.20 4.21 -1.06 0.33 115.58 117.87 1be2 h ASN 65 Ca 0.15 0.20 0.13 0.00 1.21 0.00 0.00 56.30 57.99 1be2 h ASN 65 Cb 0.38 0.67 -0.13 0.00 -1.12 0.00 0.00 38.32 38.12 1be2 h ASN 65 CO -0.87 -0.49 -0.24 0.00 -1.29 0.00 0.00 177.43 174.54 1be2 h ALA 66 N -0.32 0.27 -0.11 -0.83 0.00 -1.18 -0.39 119.26 116.71 1be2 h ALA 66 Ca 0.03 0.24 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 1be2 h ALA 66 Cb 0.68 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1be2 h ALA 66 CO -0.43 -0.52 -0.58 0.00 0.00 0.00 0.00 179.25 177.72 1be2 h ALA 67 N 1.44 0.81 -0.53 0.00 0.00 -0.55 -2.95 119.26 117.48 1be2 h ALA 67 Ca 0.30 -0.53 0.05 0.00 0.00 0.00 0.00 54.91 54.73 1be2 h ALA 67 Cb 0.54 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1be2 h ALA 67 CO -0.72 0.71 0.27 1.03 0.00 0.00 0.00 179.25 180.53 1be2 h SER 68 N 0.26 0.38 -0.15 0.00 0.87 0.96 -2.15 113.55 113.73 1be2 h SER 68 Ca -0.00 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1be2 h SER 68 Cb 1.09 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.99 1be2 h SER 68 CO 0.10 0.26 -0.12 0.40 -0.53 0.00 0.00 176.83 176.94 1be2 h ILE 69 N 0.52 0.00 -0.16 2.23 1.08 -0.94 0.12 117.51 120.36 1be2 h ILE 69 Ca 0.23 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.75 1be2 h ILE 69 Cb 0.14 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.89 1be2 h ILE 69 CO -0.16 0.00 0.13 1.55 -0.69 0.00 0.00 178.15 178.97 1be2 h PRO 70 N -0.04 0.00 -0.52 2.37 0.13 -1.65 0.16 132.00 132.45 1be2 h PRO 70 Ca 0.02 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.04 1be2 h PRO 70 Cb 0.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.22 1be2 h PRO 70 CO -0.16 0.00 -0.14 1.03 -0.23 0.00 0.00 178.00 178.50 1be2 h SER 71 N 0.00 1.02 0.35 1.44 0.87 -0.21 0.43 113.55 117.45 1be2 h SER 71 Ca 0.08 -0.36 -0.32 0.00 -1.23 0.00 0.00 61.79 59.96 1be2 h SER 71 Cb 0.33 -0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 61.96 1be2 h SER 71 CO -0.00 1.15 -1.87 0.29 -0.53 0.00 0.00 176.83 175.86 1be2 n LYS 72 N -4.15 0.66 -0.50 2.24 4.01 0.14 -4.21 118.16 116.34 1be2 n LYS 72 Ca 0.01 0.24 -0.08 0.00 -0.51 0.00 0.00 58.31 57.97 1be2 n LYS 72 Cb 0.42 -1.73 0.04 0.00 -0.51 0.00 0.00 35.03 33.24 1be2 n LYS 72 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1be2 n ASN 74 N 0.42 0.49 -0.00 0.00 4.13 -1.23 -4.75 115.26 114.32 1be2 n ASN 74 Ca 0.16 -0.77 0.01 0.00 1.68 0.00 0.00 54.58 55.66 1be2 n ASN 74 Cb 0.69 -0.96 -0.02 0.00 -1.54 0.00 0.00 39.78 37.96 1be2 n ASN 74 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1be2 n VAL 75 N -3.17 0.02 -1.83 2.41 0.31 -0.43 -5.03 118.33 110.62 1be2 n VAL 75 Ca -0.19 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1be2 n VAL 75 Cb 0.42 0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 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 -1.65 0.00 -4.92 4.52 2.04 0.14 -4.88 115.26 110.51 1be2 n ASN 76 Ca -0.01 0.00 -0.29 0.00 -0.44 0.00 0.00 54.58 53.84 1be2 n ASN 76 Cb 0.14 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.35 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 -1.86 5.26 0.45 3.53 0.11 -1.26 -5.00 120.40 121.62 1be2 s VAL 77 Ca 0.00 -0.29 0.24 0.00 -2.93 0.00 0.00 61.98 59.00 1be2 s VAL 77 Cb 0.00 -3.67 0.43 0.00 -1.53 0.00 0.00 36.38 31.61 1be2 s VAL 77 CO 0.00 -0.02 1.81 -0.65 -3.33 0.00 0.00 175.10 172.91 1be2 h PRO 78 N 2.54 0.26 -5.15 1.54 0.11 -2.01 -3.39 132.00 125.90 1be2 h PRO 78 Ca -0.47 -0.02 -0.67 0.00 0.11 0.00 0.00 66.00 64.96 1be2 h PRO 78 Cb 1.18 -0.06 -0.17 0.00 0.11 0.00 0.00 31.00 32.06 1be2 h PRO 78 CO 0.72 0.17 0.07 1.52 -0.21 0.00 0.00 178.00 180.27 1be2 s TYR 79 N -5.30 3.05 -0.09 0.65 -0.85 -1.26 -4.95 117.35 108.60 1be2 s TYR 79 Ca -0.07 -0.33 0.00 0.00 -0.52 0.00 0.00 57.07 56.15 1be2 s TYR 79 Cb 0.24 -3.43 0.02 0.00 0.38 0.00 0.00 41.96 39.17 1be2 s TYR 79 CO 0.79 -0.96 -0.08 0.95 -1.52 0.00 0.00 175.55 174.73 1be2 s THR 80 N 2.71 0.98 0.00 -3.49 -4.23 -1.26 -4.98 115.64 105.38 1be2 s THR 80 Ca 0.18 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 1be2 s THR 80 Cb -0.17 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.69 1be2 s THR 80 CO 0.15 0.35 0.00 0.00 -0.54 0.00 0.00 174.62 174.58 1be2 n ILE 81 N 4.61 0.00 -4.02 2.99 0.13 -1.26 -4.66 119.36 117.14 1be2 n ILE 81 Ca -0.16 0.00 -0.14 0.00 -1.10 0.00 0.00 62.75 61.36 1be2 n ILE 81 Cb 0.50 0.00 -0.14 0.00 -0.84 0.00 0.00 39.64 39.17 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 0.00 0.33 0.22 9.51 0.01 -1.26 -4.76 113.70 117.75 1be2 s SER 82 Ca 0.00 -0.09 -0.09 0.00 1.31 0.00 0.00 55.95 57.08 1be2 s SER 82 Cb 0.00 -0.03 0.33 0.00 0.21 0.00 0.00 66.02 66.53 1be2 s SER 82 CO 0.00 0.01 1.31 -0.81 0.41 0.00 0.00 173.24 174.16 1be2 n PRO 83 N 2.88 -0.12 -0.93 12.44 -0.04 -1.26 -3.22 135.00 144.76 1be2 n PRO 83 Ca -0.13 1.30 -0.11 0.00 -0.04 0.00 0.00 63.50 64.52 1be2 n PRO 83 Cb 0.59 -1.94 -0.15 0.00 -0.04 0.00 0.00 33.50 31.95 1be2 n PRO 83 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1be2 n ASP 84 N -5.33 5.11 -0.06 3.54 2.03 -1.26 -4.09 116.55 116.49 1be2 n ASP 84 Ca 0.12 -2.45 -0.03 0.00 0.52 0.00 0.00 54.79 52.95 1be2 n ASP 84 Cb 0.39 -1.36 -0.16 0.00 -0.72 0.00 0.00 41.12 39.28 1be2 n ASP 84 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1be2 n ILE 85 N 2.42 0.97 -3.49 5.18 5.41 -1.20 -5.00 119.36 123.65 1be2 n ILE 85 Ca 0.38 -0.74 -0.26 0.00 1.00 0.00 0.00 62.75 63.13 1be2 n ILE 85 Cb 0.86 -0.35 0.01 0.00 -0.71 0.00 0.00 39.64 39.45 1be2 n ILE 85 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1be2 n ASP 86 N -2.62 -4.40 0.00 4.38 2.03 -1.26 -4.77 116.55 109.91 1be2 n ASP 86 Ca -0.23 -0.50 0.00 0.00 0.52 0.00 0.00 54.79 54.58 1be2 n ASP 86 Cb 0.96 -3.59 0.00 0.00 -0.72 0.00 0.00 41.12 37.78 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 0.51 -0.14 0.00 0.02 -1.95 -3.24 113.55 108.75 1be2 h SER 88 Ca 0.00 -0.37 -0.35 0.00 -0.84 0.00 0.00 61.79 60.23 1be2 h SER 88 Cb 0.00 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.34 1be2 h SER 88 CO 0.00 0.76 0.76 -2.11 -1.14 0.00 0.00 176.83 175.10 1be2 n ARG 89 N -4.53 2.52 -0.04 3.45 -4.01 -0.59 -3.51 116.66 109.95 1be2 n ARG 89 Ca -0.04 -1.48 -0.04 0.00 -1.04 0.00 0.00 57.85 55.25 1be2 n ARG 89 Cb 0.31 -2.22 -0.05 0.00 -3.04 0.00 0.00 32.46 27.46 1be2 n ARG 89 CO 0.00 0.00 0.00 -0.89 -3.04 0.00 0.00 177.63 173.70 1be2 n ILE 90 N 2.57 0.48 -1.98 8.89 5.41 -1.23 -5.06 119.36 128.44 1be2 n ILE 90 Ca 0.52 -0.26 0.00 0.00 1.00 0.00 0.00 62.75 64.01 1be2 n ILE 90 Cb 0.70 -0.82 0.00 0.00 -0.71 0.00 0.00 39.64 38.82 1be2 n ILE 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55