#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 3.45 0.00 1.96 4.22 -1.26 -4.76 114.94 118.55 1be2 s ASN 2 Ca 0.00 -0.49 0.00 0.00 -2.14 0.00 0.00 52.86 50.23 1be2 s ASN 2 Cb 0.00 -1.50 0.00 0.00 1.28 0.00 0.00 41.25 41.03 1be2 s ASN 2 CO 0.00 0.13 0.00 0.00 -2.04 0.00 0.00 177.10 175.19 1be2 h GLY 4 N 0.00 0.53 0.65 0.00 0.00 -1.98 0.20 103.07 102.47 1be2 h GLY 4 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1be2 h GLY 4 CO 0.00 -0.04 -0.19 -1.61 0.00 0.00 0.00 176.54 174.69 1be2 h GLN 5 N 0.19 -0.52 -0.58 4.80 4.15 -0.94 0.34 115.11 122.55 1be2 h GLN 5 Ca 0.52 0.04 0.06 0.00 0.77 0.00 0.00 58.65 60.04 1be2 h GLN 5 Cb 1.70 0.12 -0.09 0.00 0.21 0.00 0.00 27.48 29.42 1be2 h GLN 5 CO -0.13 -0.21 -0.56 -0.24 -1.93 0.00 0.00 178.83 175.77 1be2 h VAL 6 N -0.90 0.00 -0.24 2.39 3.04 -0.83 -0.18 116.25 119.53 1be2 h VAL 6 Ca -0.06 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.62 1be2 h VAL 6 Cb 0.55 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.82 1be2 h VAL 6 CO 0.09 0.00 0.09 -0.78 -1.01 0.00 0.00 177.57 175.96 1be2 h ASP 7 N -0.27 0.34 -1.49 3.17 3.58 -0.98 0.47 116.42 121.24 1be2 h ASP 7 Ca 0.10 -0.17 0.44 0.00 0.42 0.00 0.00 57.03 57.81 1be2 h ASP 7 Cb 0.53 -0.09 -0.07 0.00 1.72 0.00 0.00 39.33 41.42 1be2 h ASP 7 CO -0.69 0.42 1.06 0.28 -2.88 0.00 0.00 179.24 177.44 1be2 h SER 8 N 0.24 0.04 0.00 2.28 0.02 0.12 0.39 113.55 116.64 1be2 h SER 8 Ca 0.08 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1be2 h SER 8 Cb 0.19 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1be2 h SER 8 CO -0.01 -0.01 -0.55 1.17 -1.14 0.00 0.00 176.83 176.29 1be2 n LYS 9 N -4.14 0.38 -0.20 3.45 0.00 -0.23 -4.58 118.16 112.83 1be2 n LYS 9 Ca 0.34 0.35 -0.02 0.00 0.00 0.00 0.00 58.31 58.98 1be2 n LYS 9 Cb 1.54 -1.39 0.05 0.00 0.00 0.00 0.00 35.03 35.23 1be2 n LYS 9 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 1be2 h MET 10 N -0.79 -0.02 0.00 1.64 2.86 0.64 -3.35 114.93 115.91 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 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1be2 h MET 10 CO 0.00 -0.01 0.00 1.17 1.06 0.00 0.00 176.91 179.13 1be2 n LYS 11 N -5.42 0.00 -0.26 1.72 4.81 0.13 0.21 118.16 119.35 1be2 n LYS 11 Ca 0.07 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.54 1be2 n LYS 11 Cb 0.32 0.00 0.17 0.00 0.02 0.00 0.00 35.03 35.54 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 0.57 -0.76 1.64 0.13 -1.84 0.69 132.00 132.42 1be2 h PRO 12 Ca 0.00 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.05 1be2 h PRO 12 Cb 0.00 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 30.97 1be2 h PRO 12 CO 0.00 0.37 0.30 0.00 -0.23 0.00 0.00 178.00 178.44 1be2 h LEU 14 N 1.10 -0.22 -0.25 0.00 3.38 0.13 0.99 115.31 120.44 1be2 h LEU 14 Ca 0.25 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.41 1be2 h LEU 14 Cb 0.21 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1be2 h LEU 14 CO -0.02 -0.08 -0.10 0.00 0.09 0.00 0.00 178.44 178.32 1be2 h THR 15 N 0.13 0.66 -0.23 0.22 1.03 -0.23 -0.40 112.91 114.08 1be2 h THR 15 Ca 0.28 0.00 0.05 0.00 -0.01 0.00 0.00 66.41 66.73 1be2 h THR 15 Cb 0.44 0.66 -0.07 0.00 -1.07 0.00 0.00 68.15 68.10 1be2 h THR 15 CO -0.46 0.00 -0.48 0.22 -0.01 0.00 0.00 175.52 174.79 1be2 h TYR 16 N -0.07 -1.42 -0.21 0.00 3.20 0.20 0.53 116.97 119.19 1be2 h TYR 16 Ca 0.13 0.06 0.06 0.00 3.14 0.00 0.00 58.73 62.12 1be2 h TYR 16 Cb 0.26 0.65 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 1be2 h TYR 16 CO -0.29 -0.50 0.15 -0.39 -1.64 0.00 0.00 178.16 175.50 1be2 h VAL 17 N -0.48 0.89 0.00 1.81 -1.51 0.15 -1.60 116.25 115.52 1be2 h VAL 17 Ca 0.07 0.00 -0.28 0.00 -1.23 0.00 0.00 66.70 65.27 1be2 h VAL 17 Cb 0.64 0.89 -0.05 0.00 -2.13 0.00 0.00 31.29 30.64 1be2 h VAL 17 CO -0.48 0.00 -1.60 0.06 -1.23 0.00 0.00 177.57 174.33 1be2 h GLN 18 N 0.00 0.01 0.00 5.19 3.07 0.10 0.72 115.11 124.20 1be2 h GLN 18 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.83 1be2 h GLN 18 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.97 1be2 h GLN 18 CO -0.00 0.59 0.00 0.41 0.09 0.00 0.00 178.83 179.92 1be2 n GLY 19 N 1.53 -1.55 3.65 0.06 0.00 0.16 -4.63 105.19 104.41 1be2 n GLY 19 Ca -0.14 0.45 -0.24 0.00 0.00 0.00 0.00 46.02 46.09 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 2.00 -1.04 -0.02 0.00 0.42 -4.76 107.32 103.91 1be2 s GLY 20 Ca 0.00 -1.90 -0.05 0.00 0.00 0.00 0.00 44.72 42.77 1be2 s GLY 20 CO 0.00 -1.85 2.60 -1.55 0.00 0.00 0.00 173.10 172.30 1be2 n PRO 21 N -0.99 3.80 -3.19 2.90 -0.04 -1.26 -4.61 135.00 131.61 1be2 n PRO 21 Ca -0.04 -2.93 -0.16 0.00 -0.04 0.00 0.00 63.50 60.32 1be2 n PRO 21 Cb 0.62 -2.48 -0.02 0.00 -0.04 0.00 0.00 33.50 31.57 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 1.68 3.49 3.31 0.55 0.00 -1.26 -4.50 105.19 108.45 1be2 n GLY 22 Ca 0.59 -2.28 -0.44 0.00 0.00 0.00 0.00 46.02 43.89 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 -3.08 3.97 0.00 1.61 0.04 -1.26 -5.05 135.00 131.24 1be2 s PRO 23 Ca 0.06 -3.08 0.00 0.00 0.04 0.00 0.00 61.00 58.03 1be2 s PRO 23 Cb -0.01 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 30.08 1be2 s PRO 23 CO 0.04 -1.25 0.20 0.43 0.04 0.00 0.00 177.00 176.46 1be2 n SER 24 N 2.91 0.00 0.00 6.66 7.64 -1.26 -4.65 113.62 124.92 1be2 n SER 24 Ca 0.21 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 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 -0.41 2.89 0.17 0.23 0.00 -1.26 -4.94 105.19 101.87 1be2 n GLY 25 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.01 1.61 0.28 -1.26 -0.22 120.64 120.94 1be2 n GLU 26 Ca 0.00 0.70 -0.01 0.00 -0.16 0.00 0.00 57.16 57.70 1be2 n GLU 26 Cb 0.00 -1.04 -0.00 0.00 1.43 0.00 0.00 31.44 31.82 1be2 n GLU 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1be2 h ASN 29 N -0.24 -1.11 -0.59 0.00 -1.24 -1.04 1.00 115.58 112.36 1be2 h ASN 29 Ca 0.18 0.11 0.11 0.00 0.71 0.00 0.00 56.30 57.42 1be2 h ASN 29 Cb 0.56 0.41 -0.08 0.00 0.73 0.00 0.00 38.32 39.94 1be2 h ASN 29 CO -0.63 -0.40 0.14 1.23 -1.29 0.00 0.00 177.43 176.48 1be2 h GLY 30 N -0.54 0.76 -0.20 1.57 0.00 -0.13 -0.68 103.07 103.85 1be2 h GLY 30 Ca -0.01 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.32 1be2 h GLY 30 CO -0.19 -0.09 -0.54 -2.08 0.00 0.00 0.00 176.54 173.64 1be2 h VAL 31 N 0.28 0.01 -0.39 4.60 2.07 0.12 0.14 116.25 123.08 1be2 h VAL 31 Ca 0.31 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.89 1be2 h VAL 31 Cb 0.44 0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.16 1be2 h VAL 31 CO -0.38 0.00 0.03 0.03 0.02 0.00 0.00 177.57 177.28 1be2 h ARG 32 N -0.52 0.14 -0.10 1.57 3.08 -0.41 0.40 114.38 118.54 1be2 h ARG 32 Ca 0.05 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.13 1be2 h ARG 32 Cb 0.66 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.61 1be2 h ARG 32 CO -0.48 0.09 -0.38 -0.44 -1.07 0.00 0.00 179.97 177.69 1be2 h ASP 33 N 0.15 -1.16 -0.04 7.04 5.19 -0.02 0.69 116.42 128.26 1be2 h ASP 33 Ca 0.19 0.16 0.01 0.00 -0.62 0.00 0.00 57.03 56.77 1be2 h ASP 33 Cb 0.25 0.48 -0.00 0.00 0.18 0.00 0.00 39.33 40.24 1be2 h ASP 33 CO -0.29 -0.41 0.04 -0.07 -3.12 0.00 0.00 179.24 175.39 1be2 h LEU 34 N -0.47 0.00 -0.57 1.55 4.07 0.18 0.52 115.31 120.59 1be2 h LEU 34 Ca 0.08 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.88 1be2 h LEU 34 Cb 0.60 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.32 1be2 h LEU 34 CO -0.36 0.00 -0.71 -0.74 -1.08 0.00 0.00 178.44 175.55 1be2 h HIS 35 N 0.00 0.08 0.00 1.13 2.76 0.22 -1.22 115.15 118.12 1be2 h HIS 35 Ca 0.02 -0.04 -0.33 0.00 -2.20 0.00 0.00 60.37 57.82 1be2 h HIS 35 Cb 0.10 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 28.99 1be2 h HIS 35 CO 0.00 0.75 -2.22 0.09 -1.30 0.00 0.00 177.93 175.25 1be2 n ASN 36 N -3.72 0.18 0.09 3.26 3.02 0.15 -4.26 115.26 113.98 1be2 n ASN 36 Ca -0.01 0.08 -0.03 0.00 -0.03 0.00 0.00 54.58 54.59 1be2 n ASN 36 Cb 0.69 0.84 -0.06 0.00 -0.61 0.00 0.00 39.78 40.64 1be2 n ASN 36 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1be2 h GLN 37 N 0.00 0.00 -7.45 3.52 4.20 -0.13 -3.45 115.11 111.79 1be2 h GLN 37 Ca -0.46 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 57.76 1be2 h GLN 37 Cb 2.12 0.00 0.10 0.00 0.30 0.00 0.00 27.48 30.00 1be2 h GLN 37 CO 0.04 0.80 0.36 0.00 -0.67 0.00 0.00 178.83 179.36 1be2 s ALA 38 N -2.82 2.43 -0.15 3.87 0.00 -0.46 -5.02 121.76 119.61 1be2 s ALA 38 Ca 0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.62 1be2 s ALA 38 Cb 0.09 -3.07 -0.07 0.00 0.00 0.00 0.00 23.12 20.07 1be2 s ALA 38 CO 0.79 -1.60 -0.17 1.04 0.00 0.00 0.00 175.76 175.82 1be2 n GLN 39 N -3.33 0.33 -2.10 0.00 3.00 -1.26 -4.96 117.38 109.06 1be2 n GLN 39 Ca 0.07 0.12 -0.03 0.00 -0.01 0.00 0.00 57.00 57.15 1be2 n GLN 39 Cb 0.57 -1.11 -0.01 0.00 0.00 0.00 0.00 30.24 29.70 1be2 n GLN 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1be2 n SER 40 N -3.44 -0.29 -3.01 1.08 2.88 -1.26 -5.02 113.62 104.56 1be2 n SER 40 Ca -0.28 -1.41 -0.33 0.00 -1.33 0.00 0.00 58.87 55.52 1be2 n SER 40 Cb 0.73 0.54 -0.04 0.00 -0.75 0.00 0.00 64.21 64.69 1be2 n SER 40 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1be2 n SER 41 N -2.05 7.38 0.07 -3.46 7.64 -1.26 -2.42 113.62 119.52 1be2 n SER 41 Ca 0.00 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 56.85 1be2 n SER 41 Cb 0.13 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 61.98 1be2 n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1be2 n GLY 42 N 1.74 -0.13 0.14 0.23 0.00 -1.26 -4.73 105.19 101.18 1be2 n GLY 42 Ca 0.58 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.38 1be2 n GLY 42 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1be2 h ASP 43 N 0.00 0.52 0.99 1.61 3.04 -1.95 -3.36 116.42 117.26 1be2 h ASP 43 Ca 0.00 -0.93 -0.05 0.00 -3.24 0.00 0.00 57.03 52.82 1be2 h ASP 43 Cb 0.15 -0.17 0.01 0.00 -1.04 0.00 0.00 39.33 38.28 1be2 h ASP 43 CO 0.00 1.81 -0.47 0.03 -2.04 0.00 0.00 179.24 178.56 1be2 h ARG 44 N 0.09 -1.28 0.00 4.15 3.08 -1.81 0.34 114.38 118.95 1be2 h ARG 44 Ca -0.38 0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1be2 h ARG 44 Cb 2.07 0.29 0.00 0.00 0.08 0.00 0.00 29.97 32.41 1be2 h ARG 44 CO 0.14 -0.85 0.11 0.00 -1.07 0.00 0.00 179.97 178.29 1be2 n GLN 45 N -5.66 0.03 -0.07 0.04 -0.00 -1.26 0.03 117.38 110.50 1be2 n GLN 45 Ca -0.17 0.46 -0.06 0.00 -0.00 0.00 0.00 57.00 57.24 1be2 n GLN 45 Cb 0.52 -1.72 -0.04 0.00 -0.00 0.00 0.00 30.24 29.01 1be2 n GLN 45 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 1be2 h THR 46 N 0.00 0.38 -1.01 -0.39 2.02 -1.27 0.12 112.91 112.75 1be2 h THR 46 Ca 0.00 -1.34 0.24 0.00 0.77 0.00 0.00 66.41 66.09 1be2 h THR 46 Cb 0.21 0.77 -0.12 0.00 -1.74 0.00 0.00 68.15 67.27 1be2 h THR 46 CO 0.00 0.13 0.60 0.58 0.37 0.00 0.00 175.52 177.20 1be2 h VAL 47 N -1.00 0.55 0.56 3.16 2.07 0.10 0.57 116.25 122.27 1be2 h VAL 47 Ca -0.04 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1be2 h VAL 47 Cb 0.45 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1be2 h VAL 47 CO -0.02 0.11 -0.43 0.00 0.02 0.00 0.00 177.57 177.24 1be2 n ASN 49 N -5.10 -0.28 -0.03 0.00 0.23 0.19 -0.19 115.26 110.10 1be2 n ASN 49 Ca -0.12 1.41 -0.05 0.00 -0.53 0.00 0.00 54.58 55.30 1be2 n ASN 49 Cb 0.42 -0.44 -0.04 0.00 -2.08 0.00 0.00 39.78 37.64 1be2 n ASN 49 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1be2 h LEU 51 N -1.00 -0.03 0.40 0.00 6.46 0.21 1.30 115.31 122.65 1be2 h LEU 51 Ca -0.01 0.26 -0.02 0.00 -0.12 0.00 0.00 57.88 57.99 1be2 h LEU 51 Cb 0.32 0.35 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 1be2 h LEU 51 CO 0.01 -0.35 -0.19 0.50 -0.62 0.00 0.00 178.44 177.79 1be2 h LYS 52 N 0.05 -0.51 -0.83 1.25 3.64 -0.65 -0.09 116.57 119.44 1be2 h LYS 52 Ca 0.70 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 60.25 1be2 h LYS 52 Cb 1.65 0.12 -0.14 0.00 -0.41 0.00 0.00 32.23 33.45 1be2 h LYS 52 CO -0.81 -0.20 -0.39 0.78 -2.27 0.00 0.00 179.45 176.56 1be2 h GLY 53 N -0.92 -0.10 0.86 5.01 0.00 0.48 0.22 103.07 108.63 1be2 h GLY 53 Ca -0.05 0.52 -0.02 0.00 0.00 0.00 0.00 47.33 47.77 1be2 h GLY 53 CO 0.09 -0.18 -0.32 -2.22 0.00 0.00 0.00 176.54 173.91 1be2 h ILE 54 N -0.08 0.35 -0.96 2.60 2.04 -0.38 -0.46 117.51 120.63 1be2 h ILE 54 Ca 0.28 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.45 1be2 h ILE 54 Cb 0.57 0.35 -0.18 0.00 -0.74 0.00 0.00 36.82 36.82 1be2 h ILE 54 CO -0.86 0.00 0.18 0.00 0.00 0.00 0.00 178.15 177.47 1be2 n ALA 55 N -2.53 0.65 -0.06 1.87 0.00 0.52 0.84 120.51 121.81 1be2 n ALA 55 Ca -0.12 1.01 -0.12 0.00 0.00 0.00 0.00 53.44 54.21 1be2 n ALA 55 Cb 0.35 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.92 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 0.34 -1.60 0.00 3.08 -0.20 -3.31 114.38 112.69 1be2 h ARG 56 Ca 0.66 -0.14 -0.54 0.00 0.07 0.00 0.00 59.98 60.04 1be2 h ARG 56 Cb 1.51 -0.02 -0.21 0.00 0.08 0.00 0.00 29.97 31.33 1be2 h ARG 56 CO -0.85 0.62 0.64 0.41 -1.07 0.00 0.00 179.97 179.71 1be2 n GLY 57 N -0.11 4.85 3.73 0.04 0.00 0.25 -4.92 105.19 109.03 1be2 n GLY 57 Ca -0.05 -1.85 -0.25 0.00 0.00 0.00 0.00 46.02 43.86 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 -3.38 2.20 0.16 -0.61 1.01 -0.92 -4.92 121.20 114.73 1be2 s ILE 58 Ca 0.51 -1.74 -0.20 0.00 0.00 0.00 0.00 60.65 59.22 1be2 s ILE 58 Cb 0.38 -2.94 0.07 0.00 0.01 0.00 0.00 42.46 39.98 1be2 s ILE 58 CO -0.14 0.00 1.65 -0.74 0.00 0.00 0.00 174.94 175.71 1be2 h HIS 59 N 1.45 -0.44 -0.11 3.97 -0.00 -1.92 -3.39 115.15 114.71 1be2 h HIS 59 Ca -0.43 0.04 -0.25 0.00 -0.00 0.00 0.00 60.37 59.73 1be2 h HIS 59 Cb 1.25 0.24 -0.17 0.00 -0.00 0.00 0.00 27.41 28.74 1be2 h HIS 59 CO 0.69 -0.25 -0.47 -1.71 -0.00 0.00 0.00 177.93 176.19 1be2 n ASN 60 N -5.35 -2.04 -3.60 3.26 4.05 -1.26 -5.12 115.26 105.20 1be2 n ASN 60 Ca 0.01 -3.37 -0.49 0.00 0.45 0.00 0.00 54.58 51.18 1be2 n ASN 60 Cb 0.26 1.57 -0.07 0.00 1.23 0.00 0.00 39.78 42.77 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 0.13 0.32 -4.11 1.20 -0.00 -1.26 -4.37 117.00 108.91 1be2 n LEU 61 Ca 0.05 0.92 -0.37 0.00 -0.00 0.00 0.00 56.01 56.60 1be2 n LEU 61 Cb 0.73 -0.71 -0.08 0.00 -0.00 0.00 0.00 43.42 43.36 1be2 n LEU 61 CO 0.02 -1.21 0.12 0.21 -0.00 0.00 0.00 177.39 176.54 1be2 s ASN 62 N 0.81 5.48 0.00 1.96 2.47 0.25 -4.89 114.94 121.01 1be2 s ASN 62 Ca 0.75 -3.01 0.00 0.00 0.42 0.00 0.00 52.86 51.02 1be2 s ASN 62 Cb -1.06 -1.89 0.00 0.00 -1.45 0.00 0.00 41.25 36.85 1be2 s ASN 62 CO 0.51 -0.35 0.00 0.00 -3.72 0.00 0.00 177.10 173.55 1be2 n LEU 63 N 3.30 0.00 -0.08 3.21 -0.00 -1.26 -0.04 117.00 122.13 1be2 n LEU 63 Ca 0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.99 1be2 n LEU 63 Cb 0.38 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.73 1be2 n LEU 63 CO 0.34 0.00 0.54 -1.13 -0.00 0.00 0.00 177.39 177.14 1be2 h ASN 64 N 0.00 -1.60 -0.40 1.45 -1.24 -1.94 0.15 115.58 112.00 1be2 h ASN 64 Ca 0.00 0.21 0.08 0.00 0.71 0.00 0.00 56.30 57.31 1be2 h ASN 64 Cb 0.00 0.66 -0.09 0.00 0.73 0.00 0.00 38.32 39.62 1be2 h ASN 64 CO 0.00 -0.42 -0.25 0.78 -1.29 0.00 0.00 177.43 176.25 1be2 h ASN 65 N -0.44 -0.85 0.35 1.15 4.21 -0.78 0.80 115.58 120.02 1be2 h ASN 65 Ca 0.08 0.17 -0.00 0.00 1.21 0.00 0.00 56.30 57.76 1be2 h ASN 65 Cb 0.62 0.42 -0.03 0.00 -1.12 0.00 0.00 38.32 38.22 1be2 h ASN 65 CO -0.52 -0.27 -0.40 0.00 -1.29 0.00 0.00 177.43 174.95 1be2 h ALA 66 N 0.99 -0.84 -0.90 -0.83 0.00 -1.29 -0.39 119.26 115.99 1be2 h ALA 66 Ca 0.19 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1be2 h ALA 66 Cb 0.48 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 1be2 h ALA 66 CO -0.51 -1.02 0.59 0.00 0.00 0.00 0.00 179.25 178.31 1be2 h ALA 67 N -0.39 1.50 -0.09 0.00 0.00 -0.31 -1.20 119.26 118.78 1be2 h ALA 67 Ca -0.02 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1be2 h ALA 67 Cb 0.72 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1be2 h ALA 67 CO -0.09 0.38 -0.17 1.03 0.00 0.00 0.00 179.25 180.39 1be2 h SER 68 N 1.05 -0.52 0.00 0.00 0.87 -0.61 -2.34 113.55 111.99 1be2 h SER 68 Ca 0.38 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 1be2 h SER 68 Cb 0.16 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1be2 h SER 68 CO -0.14 -0.23 0.00 -0.38 -0.53 0.00 0.00 176.83 175.56 1be2 n ILE 69 N -5.31 0.00 -0.34 2.23 2.08 -0.18 -0.22 119.36 117.62 1be2 n ILE 69 Ca -0.04 1.40 0.01 0.00 0.56 0.00 0.00 62.75 64.69 1be2 n ILE 69 Cb 0.23 -1.99 0.15 0.00 -0.75 0.00 0.00 39.64 37.27 1be2 n ILE 69 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1be2 h PRO 70 N 0.00 1.05 -0.24 0.38 0.13 -1.65 0.40 132.00 132.06 1be2 h PRO 70 Ca 0.00 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1be2 h PRO 70 Cb 0.00 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 30.88 1be2 h PRO 70 CO 0.00 0.69 0.14 0.77 -0.23 0.00 0.00 178.00 179.37 1be2 h SER 71 N 1.08 0.30 0.25 1.44 0.02 -1.07 0.47 113.55 116.03 1be2 h SER 71 Ca 0.39 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1be2 h SER 71 Cb 0.13 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1be2 h SER 71 CO -0.16 0.28 -0.38 2.29 -1.14 0.00 0.00 176.83 177.72 1be2 n LYS 72 N -4.87 0.65 -0.93 3.45 0.00 0.69 -3.85 118.16 113.30 1be2 n LYS 72 Ca -0.03 -0.42 -0.07 0.00 -0.00 0.00 0.00 58.31 57.79 1be2 n LYS 72 Cb 0.07 -1.49 0.26 0.00 -0.00 0.00 0.00 35.03 33.86 1be2 n LYS 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1be2 n ASN 74 N -0.18 -2.71 0.00 0.00 3.02 -1.19 -4.74 115.26 109.46 1be2 n ASN 74 Ca 0.38 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 1be2 n ASN 74 Cb 1.31 -2.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.19 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 -4.25 0.00 -2.19 2.41 0.31 -0.27 -5.02 118.33 109.32 1be2 n VAL 75 Ca 0.09 -0.12 -0.10 0.00 -0.01 0.00 0.00 64.34 64.20 1be2 n VAL 75 Cb 0.47 0.59 -0.02 0.00 -0.91 0.00 0.00 33.84 33.98 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 -1.12 -0.44 -4.87 4.52 2.04 0.15 -4.88 115.26 110.67 1be2 n ASN 76 Ca 0.00 -0.29 -0.37 0.00 -0.44 0.00 0.00 54.58 53.49 1be2 n ASN 76 Cb 0.00 -0.38 -0.06 0.00 -2.53 0.00 0.00 39.78 36.81 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 -1.51 5.33 0.14 3.53 0.11 -1.26 -4.89 120.40 121.85 1be2 s VAL 77 Ca 0.20 0.36 0.01 0.00 -2.93 0.00 0.00 61.98 59.62 1be2 s VAL 77 Cb -0.11 -3.53 0.19 0.00 -1.53 0.00 0.00 36.38 31.40 1be2 s VAL 77 CO 0.24 0.54 0.72 -2.65 -3.33 0.00 0.00 175.10 170.62 1be2 n PRO 78 N 1.69 -0.04 -2.87 1.54 -0.02 -1.26 -4.25 135.00 129.79 1be2 n PRO 78 Ca -0.16 0.68 -0.43 0.00 -2.02 0.00 0.00 63.50 61.58 1be2 n PRO 78 Cb 0.54 -1.10 -0.04 0.00 -0.02 0.00 0.00 33.50 32.88 1be2 n PRO 78 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1be2 s TYR 79 N -5.24 2.82 -0.26 6.00 1.13 -1.26 -4.96 117.35 115.58 1be2 s TYR 79 Ca -0.06 -0.07 0.01 0.00 -1.41 0.00 0.00 57.07 55.54 1be2 s TYR 79 Cb 0.14 -4.02 0.05 0.00 -1.10 0.00 0.00 41.96 37.03 1be2 s TYR 79 CO 0.36 -1.32 -0.08 0.95 -2.51 0.00 0.00 175.55 172.95 1be2 s THR 80 N 3.81 2.46 0.00 -3.49 -4.23 -1.26 -4.84 115.64 108.09 1be2 s THR 80 Ca 0.29 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 1be2 s THR 80 Cb -0.13 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.32 1be2 s THR 80 CO 0.18 0.02 0.00 0.00 -0.54 0.00 0.00 174.62 174.28 1be2 n ILE 81 N 4.52 0.00 -4.12 2.99 0.13 -1.26 -4.62 119.36 117.00 1be2 n ILE 81 Ca -0.15 0.00 -0.16 0.00 -1.10 0.00 0.00 62.75 61.34 1be2 n ILE 81 Cb 0.44 0.00 -0.15 0.00 -0.84 0.00 0.00 39.64 39.09 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 0.61 0.35 9.51 0.01 -1.26 -4.76 113.70 118.15 1be2 s SER 82 Ca 0.00 -0.09 0.14 0.00 1.31 0.00 0.00 55.95 57.31 1be2 s SER 82 Cb 0.00 -0.14 1.00 0.00 0.21 0.00 0.00 66.02 67.09 1be2 s SER 82 CO 0.00 0.02 1.73 1.55 0.41 0.00 0.00 173.24 176.95 1be2 h PRO 83 N 6.37 0.46 -1.54 12.44 0.13 -1.83 -2.83 132.00 145.20 1be2 h PRO 83 Ca -0.32 -0.03 -0.68 0.00 -0.87 0.00 0.00 66.00 64.11 1be2 h PRO 83 Cb 1.18 -0.10 -0.34 0.00 0.13 0.00 0.00 31.00 31.87 1be2 h PRO 83 CO 0.50 0.30 0.28 -3.47 -0.23 0.00 0.00 178.00 175.38 1be2 n ASP 84 N -4.83 6.42 -4.77 1.44 2.03 -1.26 -4.90 116.55 110.68 1be2 n ASP 84 Ca 0.28 -3.79 -0.36 0.00 0.52 0.00 0.00 54.79 51.44 1be2 n ASP 84 Cb 0.85 -0.79 -0.07 0.00 -0.72 0.00 0.00 41.12 40.39 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 -5.11 5.35 -0.67 5.18 1.01 -1.07 -5.00 121.20 120.88 1be2 s ILE 85 Ca 0.53 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.60 1be2 s ILE 85 Cb 0.44 -3.55 0.40 0.00 0.01 0.00 0.00 42.46 39.75 1be2 s ILE 85 CO -0.23 0.48 1.76 -0.67 0.00 0.00 0.00 174.94 176.27 1be2 n ASP 86 N 3.00 6.73 -0.52 3.58 2.03 -1.26 -4.77 116.55 125.34 1be2 n ASP 86 Ca -0.15 -3.80 0.42 0.00 0.52 0.00 0.00 54.79 51.78 1be2 n ASP 86 Cb 0.53 -0.85 0.68 0.00 -0.72 0.00 0.00 41.12 40.75 1be2 n ASP 86 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1be2 n SER 88 N -4.26 -0.26 -0.05 0.00 7.64 -1.26 -1.77 113.62 113.66 1be2 n SER 88 Ca 0.39 0.65 -0.06 0.00 1.01 0.00 0.00 58.87 60.87 1be2 n SER 88 Cb 1.61 -0.14 -0.06 0.00 -1.01 0.00 0.00 64.21 64.61 1be2 n SER 88 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1be2 n ARG 89 N -4.54 1.42 -0.74 1.43 1.85 -0.24 -4.96 116.66 110.87 1be2 n ARG 89 Ca 0.03 0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.91 1be2 n ARG 89 Cb 0.14 -1.21 0.00 0.00 -1.05 0.00 0.00 32.46 30.35 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 -2.56 -1.39 0.98 8.89 5.41 0.37 -5.15 119.36 125.91 1be2 n ILE 90 Ca -0.16 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.71 1be2 n ILE 90 Cb 0.73 -1.78 0.10 0.00 -0.71 0.00 0.00 39.64 37.98 1be2 n ILE 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55