#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 -0.08 0.00 -1.43 4.13 -1.26 -4.68 115.26 111.94 1be2 n ASN 2 Ca 0.00 -0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.21 1be2 n ASN 2 Cb 0.00 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.22 1be2 n ASN 2 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1be2 h GLY 4 N 0.00 0.59 0.66 0.00 0.00 -1.99 0.14 103.07 102.46 1be2 h GLY 4 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 1be2 h GLY 4 CO 0.00 -0.06 -0.31 -1.61 0.00 0.00 0.00 176.54 174.56 1be2 h GLN 5 N 0.20 -0.85 -0.78 4.80 5.75 -0.92 0.14 115.11 123.46 1be2 h GLN 5 Ca 0.54 0.06 0.07 0.00 -0.15 0.00 0.00 58.65 59.17 1be2 h GLN 5 Cb 1.73 0.19 -0.09 0.00 1.07 0.00 0.00 27.48 30.38 1be2 h GLN 5 CO -0.14 -0.57 -0.46 1.55 -2.65 0.00 0.00 178.83 176.56 1be2 n VAL 6 N -4.40 -0.53 0.36 2.39 3.14 0.40 0.22 118.33 119.92 1be2 n VAL 6 Ca -0.11 1.89 -0.18 0.00 -2.96 0.00 0.00 64.34 62.98 1be2 n VAL 6 Cb 0.35 -2.33 -0.09 0.00 -1.06 0.00 0.00 33.84 30.70 1be2 n VAL 6 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1be2 h ASP 7 N 0.00 -0.95 0.00 6.55 3.58 -1.21 0.33 116.42 124.72 1be2 h ASP 7 Ca 0.13 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1be2 h ASP 7 Cb 0.32 0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.64 1be2 h ASP 7 CO -0.73 -0.60 0.25 0.28 -2.88 0.00 0.00 179.24 175.55 1be2 h SER 8 N -0.97 0.00 0.00 2.28 0.02 0.19 0.25 113.55 115.32 1be2 h SER 8 Ca -0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1be2 h SER 8 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1be2 h SER 8 CO 0.10 0.00 -0.48 1.17 -1.14 0.00 0.00 176.83 176.47 1be2 n LYS 9 N -2.69 0.36 -0.14 3.45 0.00 0.13 -4.53 118.16 114.74 1be2 n LYS 9 Ca -0.02 0.39 -0.05 0.00 0.00 0.00 0.00 58.31 58.63 1be2 n LYS 9 Cb 0.30 -1.41 0.02 0.00 0.00 0.00 0.00 35.03 33.93 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 -0.77 -0.10 -0.04 1.64 2.86 0.21 -3.34 114.93 115.39 1be2 h MET 10 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1be2 h MET 10 Cb 0.48 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 1be2 h MET 10 CO 0.00 -0.07 -0.02 1.17 1.06 0.00 0.00 176.91 179.05 1be2 n LYS 11 N -5.39 -0.02 -0.13 1.72 4.81 0.82 0.15 118.16 120.13 1be2 n LYS 11 Ca 0.03 0.06 -0.07 0.00 -0.87 0.00 0.00 58.31 57.47 1be2 n LYS 11 Cb 0.30 -0.09 0.01 0.00 0.02 0.00 0.00 35.03 35.27 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 0.46 -0.69 1.64 0.11 -1.86 -0.64 132.00 131.02 1be2 h PRO 12 Ca 0.01 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1be2 h PRO 12 Cb 0.02 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 30.99 1be2 h PRO 12 CO -0.03 0.30 0.34 0.00 -0.21 0.00 0.00 178.00 178.39 1be2 h LEU 14 N 0.97 0.05 -0.52 0.00 3.38 0.69 0.91 115.31 120.79 1be2 h LEU 14 Ca 0.24 0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.41 1be2 h LEU 14 Cb 0.09 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 40.86 1be2 h LEU 14 CO -0.03 0.04 -0.19 0.00 0.09 0.00 0.00 178.44 178.34 1be2 h THR 15 N 0.28 0.38 0.04 0.22 1.03 0.09 -0.74 112.91 114.21 1be2 h THR 15 Ca 0.30 0.00 0.01 0.00 -0.01 0.00 0.00 66.41 66.71 1be2 h THR 15 Cb 0.42 0.38 -0.02 0.00 -1.07 0.00 0.00 68.15 67.86 1be2 h THR 15 CO -0.37 0.00 -0.25 0.22 -0.01 0.00 0.00 175.52 175.12 1be2 h TYR 16 N -0.07 -0.72 -0.65 0.00 3.20 0.14 0.44 116.97 119.32 1be2 h TYR 16 Ca 0.25 0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.32 1be2 h TYR 16 Cb 0.45 0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.00 1be2 h TYR 16 CO -0.49 -0.27 0.67 -0.39 -1.64 0.00 0.00 178.16 176.04 1be2 h VAL 17 N -0.34 0.29 0.03 1.81 -1.51 0.24 -0.28 116.25 116.48 1be2 h VAL 17 Ca -0.00 0.00 -0.32 0.00 -1.23 0.00 0.00 66.70 65.15 1be2 h VAL 17 Cb 0.35 0.47 -0.04 0.00 -2.13 0.00 0.00 31.29 29.94 1be2 h VAL 17 CO -0.14 0.00 -1.84 0.00 -1.23 0.00 0.00 177.57 174.35 1be2 n GLN 18 N -3.66 0.66 0.00 5.19 10.64 -0.38 0.42 117.38 130.25 1be2 n GLN 18 Ca 0.13 0.26 0.00 0.00 -1.83 0.00 0.00 57.00 55.56 1be2 n GLN 18 Cb 0.90 -1.75 0.00 0.00 -0.86 0.00 0.00 30.24 28.53 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 1.68 -0.70 3.84 2.61 0.00 0.12 -4.82 105.19 107.92 1be2 n GLY 19 Ca -0.22 0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 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 1.44 -0.61 -0.02 0.00 0.93 -4.81 107.32 104.24 1be2 s GLY 20 Ca 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 44.72 43.33 1be2 s GLY 20 CO 0.00 -1.40 2.44 -1.55 0.00 0.00 0.00 173.10 172.59 1be2 n PRO 21 N -1.08 2.53 -4.49 2.90 -0.04 -1.26 -4.59 135.00 128.98 1be2 n PRO 21 Ca -0.08 -2.82 -0.30 0.00 -0.04 0.00 0.00 63.50 60.26 1be2 n PRO 21 Cb 0.57 -2.18 -0.06 0.00 -0.04 0.00 0.00 33.50 31.79 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 0.25 3.58 3.93 0.55 0.00 -1.26 -4.85 105.19 107.39 1be2 n GLY 22 Ca 0.51 -2.34 -0.25 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.70 3.03 -0.06 1.61 0.05 -1.26 -4.97 135.00 129.70 1be2 s PRO 23 Ca 0.01 -0.18 0.18 0.00 0.05 0.00 0.00 61.00 61.07 1be2 s PRO 23 Cb 0.00 -2.39 0.63 0.00 0.05 0.00 0.00 34.50 32.79 1be2 s PRO 23 CO 0.01 -0.49 1.53 0.43 0.05 0.00 0.00 177.00 178.53 1be2 n SER 24 N -2.36 4.07 0.00 6.66 7.64 -1.26 -4.92 113.62 123.45 1be2 n SER 24 Ca 0.03 -2.24 0.00 0.00 1.01 0.00 0.00 58.87 57.67 1be2 n SER 24 Cb 0.57 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 1.28 2.92 0.39 0.23 0.00 -1.26 -4.83 105.19 103.92 1be2 n GLY 25 Ca 0.23 -0.78 -0.04 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.29 0.00 1.61 0.28 -1.26 -1.67 120.64 119.31 1be2 n GLU 26 Ca 0.00 1.53 0.00 0.00 -0.16 0.00 0.00 57.16 58.53 1be2 n GLU 26 Cb 0.00 -2.26 0.00 0.00 1.43 0.00 0.00 31.44 30.61 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 0.00 -0.31 -0.99 0.00 -0.73 -0.77 -1.64 115.58 111.13 1be2 h ASN 29 Ca 0.22 0.01 0.20 0.00 1.87 0.00 0.00 56.30 58.60 1be2 h ASN 29 Cb 0.43 0.08 -0.10 0.00 0.27 0.00 0.00 38.32 39.00 1be2 h ASN 29 CO -0.37 -0.07 0.62 1.23 -0.37 0.00 0.00 177.43 178.47 1be2 h GLY 30 N -0.68 1.60 0.70 1.57 0.00 0.14 -0.24 103.07 106.16 1be2 h GLY 30 Ca -0.04 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 1be2 h GLY 30 CO 0.06 -0.07 -0.40 -2.08 0.00 0.00 0.00 176.54 174.05 1be2 h VAL 31 N 0.67 0.00 -0.64 4.60 2.07 -0.49 -1.23 116.25 121.23 1be2 h VAL 31 Ca 0.57 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.21 1be2 h VAL 31 Cb 1.01 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.65 1be2 h VAL 31 CO -0.35 0.00 -0.20 0.03 0.02 0.00 0.00 177.57 177.08 1be2 h ARG 32 N -1.03 -0.03 -0.52 1.57 3.08 -0.17 0.25 114.38 117.53 1be2 h ARG 32 Ca -0.10 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.01 1be2 h ARG 32 Cb 0.81 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.78 1be2 h ARG 32 CO 0.11 -0.02 -0.56 0.22 -1.07 0.00 0.00 179.97 178.66 1be2 h ASP 33 N -0.03 -1.90 -0.75 7.04 1.82 -0.51 1.05 116.42 123.14 1be2 h ASP 33 Ca 0.30 0.26 0.09 0.00 -0.39 0.00 0.00 57.03 57.29 1be2 h ASP 33 Cb 0.50 0.79 -0.05 0.00 0.68 0.00 0.00 39.33 41.25 1be2 h ASP 33 CO -0.68 -0.36 0.49 -0.07 -1.61 0.00 0.00 179.24 177.01 1be2 h LEU 34 N -0.31 0.60 -0.32 2.28 4.07 0.40 0.46 115.31 122.49 1be2 h LEU 34 Ca 0.09 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1be2 h LEU 34 Cb 0.55 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.18 1be2 h LEU 34 CO -0.66 0.36 0.00 1.57 -1.08 0.00 0.00 178.44 178.63 1be2 n HIS 35 N -4.50 0.80 -0.10 1.13 -0.00 0.28 -0.26 115.22 112.57 1be2 n HIS 35 Ca 0.12 0.27 -0.13 0.00 0.46 0.00 0.00 57.72 58.44 1be2 n HIS 35 Cb 0.33 -0.94 -0.14 0.00 -0.12 0.00 0.00 29.99 29.12 1be2 n HIS 35 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1be2 n ASN 36 N -2.19 0.83 -0.06 0.26 5.03 0.29 -4.44 115.26 114.99 1be2 n ASN 36 Ca 0.04 -0.02 -0.14 0.00 0.87 0.00 0.00 54.58 55.33 1be2 n ASN 36 Cb 0.32 0.37 -0.13 0.00 -1.02 0.00 0.00 39.78 39.33 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 0.02 -6.30 3.52 4.20 -0.15 -3.42 115.11 112.99 1be2 h GLN 37 Ca -0.54 -0.02 -0.55 0.00 0.06 0.00 0.00 58.65 57.60 1be2 h GLN 37 Cb 2.10 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.86 1be2 h GLN 37 CO -0.01 0.94 0.37 0.00 -0.67 0.00 0.00 178.83 179.46 1be2 s ALA 38 N -2.53 3.26 -0.07 3.87 0.00 0.65 -4.94 121.76 122.00 1be2 s ALA 38 Ca -0.18 0.42 -0.06 0.00 0.00 0.00 0.00 51.96 52.13 1be2 s ALA 38 Cb -0.02 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1be2 s ALA 38 CO 0.69 -0.31 -0.14 1.04 0.00 0.00 0.00 175.76 177.04 1be2 n GLN 39 N 4.19 0.22 -4.26 0.00 6.02 -1.26 -4.63 117.38 117.66 1be2 n GLN 39 Ca 0.05 0.09 -0.27 0.00 -0.01 0.00 0.00 57.00 56.87 1be2 n GLN 39 Cb 0.50 -0.88 -0.09 0.00 1.02 0.00 0.00 30.24 30.79 1be2 n GLN 39 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1be2 s SER 40 N -5.98 4.39 0.03 1.08 0.01 -1.26 -4.99 113.70 106.98 1be2 s SER 40 Ca -0.14 -0.50 -0.01 0.00 1.31 0.00 0.00 55.95 56.62 1be2 s SER 40 Cb 0.04 -0.81 0.05 0.00 0.21 0.00 0.00 66.02 65.52 1be2 s SER 40 CO 0.18 0.12 0.17 -1.20 0.41 0.00 0.00 173.24 172.92 1be2 n SER 41 N 0.15 -0.04 -0.31 2.44 7.64 -1.26 -0.82 113.62 121.42 1be2 n SER 41 Ca -0.11 0.19 0.05 0.00 1.01 0.00 0.00 58.87 60.01 1be2 n SER 41 Cb 0.55 -0.06 0.25 0.00 -1.01 0.00 0.00 64.21 63.94 1be2 n SER 41 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1be2 h GLY 42 N 0.00 1.36 0.51 0.23 0.00 -1.95 0.31 103.07 103.53 1be2 h GLY 42 Ca 0.05 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 1be2 h GLY 42 CO -0.11 0.27 -0.59 1.29 0.00 0.00 0.00 176.54 177.40 1be2 h ASP 43 N 1.00 0.34 0.24 0.19 3.04 -1.38 -3.35 116.42 116.51 1be2 h ASP 43 Ca 0.41 -0.96 0.01 0.00 -3.24 0.00 0.00 57.03 53.25 1be2 h ASP 43 Cb 0.28 -0.11 -0.04 0.00 -1.04 0.00 0.00 39.33 38.42 1be2 h ASP 43 CO -0.17 1.28 -0.49 -0.09 -2.04 0.00 0.00 179.24 177.73 1be2 h ARG 44 N -0.53 -0.78 0.00 4.15 9.65 -1.49 -3.19 114.38 122.19 1be2 h ARG 44 Ca -0.10 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1be2 h ARG 44 Cb 1.45 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 30.21 1be2 h ARG 44 CO 0.11 -0.52 0.00 0.94 2.80 0.00 0.00 179.97 183.30 1be2 n GLN 45 N -5.51 0.00 -0.27 0.20 0.00 0.11 0.25 117.38 112.16 1be2 n GLN 45 Ca -0.09 0.50 -0.09 0.00 -0.00 0.00 0.00 57.00 57.32 1be2 n GLN 45 Cb 0.42 -0.76 -0.05 0.00 0.00 0.00 0.00 30.24 29.85 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 0.04 0.21 1.69 2.02 -1.71 0.22 112.91 115.39 1be2 h THR 46 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1be2 h THR 46 Cb 0.00 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.43 1be2 h THR 46 CO 0.00 0.00 -0.22 0.58 0.37 0.00 0.00 175.52 176.25 1be2 h VAL 47 N -0.16 0.51 -0.06 3.16 2.07 -1.07 -1.34 116.25 119.36 1be2 h VAL 47 Ca 0.19 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.75 1be2 h VAL 47 Cb 0.54 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 1be2 h VAL 47 CO -0.78 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 176.48 1be2 h ASN 49 N -0.45 0.76 0.05 0.00 2.35 -0.43 0.41 115.58 118.28 1be2 h ASN 49 Ca 0.07 0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1be2 h ASN 49 Cb 0.56 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1be2 h ASN 49 CO -0.31 0.23 -0.02 0.00 -1.65 0.00 0.00 177.43 175.68 1be2 h LEU 51 N -0.74 0.91 0.54 0.00 6.46 0.00 0.10 115.31 122.59 1be2 h LEU 51 Ca -0.01 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.75 1be2 h LEU 51 Cb 0.62 -0.17 0.01 0.00 -0.73 0.00 0.00 40.66 40.39 1be2 h LEU 51 CO 0.01 0.55 -0.26 0.50 -0.62 0.00 0.00 178.44 178.62 1be2 h LYS 52 N 1.02 -0.70 -0.84 1.25 3.64 -0.21 -0.28 116.57 120.43 1be2 h LYS 52 Ca 0.43 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.96 1be2 h LYS 52 Cb 0.33 0.16 -0.12 0.00 -0.41 0.00 0.00 32.23 32.19 1be2 h LYS 52 CO -0.19 -0.40 -0.42 0.41 -2.27 0.00 0.00 179.45 176.58 1be2 n GLY 53 N -0.78 -1.98 0.18 5.01 0.00 0.13 0.44 105.19 108.19 1be2 n GLY 53 Ca -0.11 0.97 -0.14 0.00 0.00 0.00 0.00 46.02 46.74 1be2 n GLY 53 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1be2 h ILE 54 N 0.00 0.75 -1.02 -0.61 2.04 -0.75 0.23 117.51 118.15 1be2 h ILE 54 Ca 0.21 -0.20 0.37 0.00 1.00 0.00 0.00 64.86 66.24 1be2 h ILE 54 Cb 0.42 0.86 -0.16 0.00 -0.74 0.00 0.00 36.82 37.20 1be2 h ILE 54 CO -0.81 0.04 0.57 0.00 0.00 0.00 0.00 178.15 177.96 1be2 h ALA 55 N 0.20 2.10 -0.05 1.87 0.00 0.18 1.00 119.26 124.57 1be2 h ALA 55 Ca -0.04 0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1be2 h ALA 55 Cb 0.37 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1be2 h ALA 55 CO 0.06 -0.79 -0.27 0.00 0.00 0.00 0.00 179.25 178.25 1be2 h ARG 56 N 0.17 0.27 -1.89 0.00 3.08 -0.27 -3.27 114.38 112.46 1be2 h ARG 56 Ca 0.79 -0.22 -0.10 0.00 0.07 0.00 0.00 59.98 60.51 1be2 h ARG 56 Cb 1.99 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 32.04 1be2 h ARG 56 CO -0.67 0.88 0.08 0.41 -1.07 0.00 0.00 179.97 179.60 1be2 n GLY 57 N 0.76 2.97 0.00 0.04 0.00 0.34 -4.78 105.19 104.51 1be2 n GLY 57 Ca -0.09 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 1.29 0.00 0.00 -0.61 5.41 -0.85 -4.91 119.36 119.69 1be2 n ILE 58 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.87 1be2 n ILE 58 Cb 0.55 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.48 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 -3.24 1.39 -0.00 -1.26 -4.91 115.22 107.20 1be2 n HIS 59 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.47 1be2 n HIS 59 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 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 -0.91 2.10 -3.13 0.26 4.05 -1.26 -5.09 115.26 111.28 1be2 n ASN 60 Ca 0.00 -3.13 -0.42 0.00 0.45 0.00 0.00 54.58 51.47 1be2 n ASN 60 Cb 0.00 -0.64 -0.06 0.00 1.23 0.00 0.00 39.78 40.31 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 0.83 0.25 -4.31 1.20 -0.00 -1.26 -4.73 117.00 108.98 1be2 n LEU 61 Ca 0.26 0.80 -0.46 0.00 -0.00 0.00 0.00 56.01 56.61 1be2 n LEU 61 Cb 0.49 -0.62 -0.03 0.00 -0.00 0.00 0.00 43.42 43.26 1be2 n LEU 61 CO 0.29 -1.08 0.32 0.21 -0.00 0.00 0.00 177.39 177.13 1be2 s ASN 62 N 0.64 6.53 0.00 1.96 2.47 0.17 -4.95 114.94 121.75 1be2 s ASN 62 Ca 0.65 -2.41 0.00 0.00 0.42 0.00 0.00 52.86 51.52 1be2 s ASN 62 Cb -0.92 -2.20 0.00 0.00 -1.45 0.00 0.00 41.25 36.69 1be2 s ASN 62 CO 0.44 -0.66 0.00 0.00 -3.72 0.00 0.00 177.10 173.17 1be2 n LEU 63 N 4.36 0.00 -0.01 3.21 -0.00 -1.26 -0.87 117.00 122.44 1be2 n LEU 63 Ca 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.05 1be2 n LEU 63 Cb 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.86 1be2 n LEU 63 CO 0.40 0.00 0.50 -1.13 -0.00 0.00 0.00 177.39 177.16 1be2 h ASN 64 N 0.00 -0.10 -0.83 1.45 -1.24 -1.95 1.00 115.58 113.90 1be2 h ASN 64 Ca 0.00 0.01 0.13 0.00 0.71 0.00 0.00 56.30 57.15 1be2 h ASN 64 Cb 0.00 0.04 -0.14 0.00 0.73 0.00 0.00 38.32 38.95 1be2 h ASN 64 CO 0.00 -0.02 -0.31 0.59 -1.29 0.00 0.00 177.43 176.39 1be2 n ASN 65 N -2.83 -0.52 0.42 1.15 4.13 -0.04 0.10 115.26 117.67 1be2 n ASN 65 Ca -0.00 1.45 -0.17 0.00 1.68 0.00 0.00 54.58 57.54 1be2 n ASN 65 Cb 0.02 -0.34 -0.08 0.00 -1.54 0.00 0.00 39.78 37.84 1be2 n ASN 65 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1be2 h ALA 66 N 1.19 -1.20 -0.99 5.41 0.00 -1.44 -1.68 119.26 120.56 1be2 h ALA 66 Ca 0.30 -0.24 0.14 0.00 0.00 0.00 0.00 54.91 55.11 1be2 h ALA 66 Cb 0.51 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 1be2 h ALA 66 CO -0.83 -1.12 0.62 0.00 0.00 0.00 0.00 179.25 177.92 1be2 h ALA 67 N -1.42 1.60 -0.27 0.00 0.00 0.17 -1.51 119.26 117.82 1be2 h ALA 67 Ca -0.11 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1be2 h ALA 67 Cb 0.83 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 1be2 h ALA 67 CO 0.18 0.13 -0.19 1.03 0.00 0.00 0.00 179.25 180.41 1be2 h SER 68 N 0.91 -0.62 0.00 0.00 0.87 -0.29 -2.03 113.55 112.39 1be2 h SER 68 Ca 0.51 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.19 1be2 h SER 68 Cb 0.60 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1be2 h SER 68 CO -0.28 -0.23 0.00 -0.38 -0.53 0.00 0.00 176.83 175.41 1be2 n ILE 69 N -5.35 0.00 -0.20 2.23 2.08 -0.57 -0.48 119.36 117.07 1be2 n ILE 69 Ca -0.00 1.36 -0.01 0.00 0.56 0.00 0.00 62.75 64.66 1be2 n ILE 69 Cb 0.26 -1.99 0.06 0.00 -0.75 0.00 0.00 39.64 37.23 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 0.01 -0.93 0.38 0.13 -1.69 0.41 132.00 130.31 1be2 h PRO 70 Ca 0.00 -0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.33 1be2 h PRO 70 Cb 0.00 -0.00 -0.17 0.00 0.13 0.00 0.00 31.00 30.95 1be2 h PRO 70 CO 0.00 0.01 -0.17 1.03 -0.23 0.00 0.00 178.00 178.64 1be2 h SER 71 N 0.01 -0.76 0.06 1.44 0.87 -0.48 0.11 113.55 114.80 1be2 h SER 71 Ca 0.29 0.27 -0.36 0.00 -1.23 0.00 0.00 61.79 60.76 1be2 h SER 71 Cb 0.45 0.54 -0.07 0.00 -0.44 0.00 0.00 62.40 62.89 1be2 h SER 71 CO -0.61 -0.31 -2.31 0.29 -0.53 0.00 0.00 176.83 173.36 1be2 n LYS 72 N -5.56 0.68 0.19 2.24 4.01 0.37 -4.37 118.16 115.73 1be2 n LYS 72 Ca 0.16 0.06 0.04 0.00 -0.51 0.00 0.00 58.31 58.06 1be2 n LYS 72 Cb 0.52 -1.56 0.39 0.00 -0.51 0.00 0.00 35.03 33.87 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 -3.95 -3.10 -1.63 0.00 3.02 0.35 -4.93 115.26 105.02 1be2 n ASN 74 Ca -0.02 -0.25 -0.15 0.00 -0.03 0.00 0.00 54.58 54.13 1be2 n ASN 74 Cb 0.41 -2.22 0.14 0.00 -0.61 0.00 0.00 39.78 37.50 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 -2.14 2.78 -0.50 2.41 0.31 -1.12 -5.04 118.33 115.04 1be2 n VAL 75 Ca -0.05 -3.06 0.00 0.00 -0.01 0.00 0.00 64.34 61.22 1be2 n VAL 75 Cb 0.55 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 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 -1.00 0.00 -3.93 4.52 2.04 -1.26 -4.91 115.26 110.71 1be2 n ASN 76 Ca 0.43 0.00 -0.09 0.00 -0.44 0.00 0.00 54.58 54.48 1be2 n ASN 76 Cb 1.01 0.00 -0.09 0.00 -2.53 0.00 0.00 39.78 38.17 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 -0.36 0.15 0.30 3.53 0.11 -1.26 -5.06 120.40 117.82 1be2 s VAL 77 Ca 0.00 -1.24 0.06 0.00 -2.93 0.00 0.00 61.98 57.88 1be2 s VAL 77 Cb 0.00 -1.14 0.30 0.00 -1.53 0.00 0.00 36.38 34.01 1be2 s VAL 77 CO 0.00 -0.68 1.75 -0.65 -3.33 0.00 0.00 175.10 172.18 1be2 h PRO 78 N 3.29 0.61 -6.16 1.54 0.11 -1.98 -3.46 132.00 125.96 1be2 h PRO 78 Ca -0.33 -0.04 -0.56 0.00 0.11 0.00 0.00 66.00 65.18 1be2 h PRO 78 Cb 1.18 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 1be2 h PRO 78 CO 0.55 0.41 -0.35 1.52 -0.21 0.00 0.00 178.00 179.91 1be2 s TYR 79 N -5.84 3.49 -0.17 0.65 -0.85 -1.26 -4.83 117.35 108.53 1be2 s TYR 79 Ca -0.11 0.38 -0.09 0.00 -0.52 0.00 0.00 57.07 56.73 1be2 s TYR 79 Cb 0.26 -1.88 0.06 0.00 0.38 0.00 0.00 41.96 40.78 1be2 s TYR 79 CO 0.80 0.43 0.41 0.95 -1.52 0.00 0.00 175.55 176.61 1be2 s THR 80 N -1.76 -0.05 -0.01 -3.49 -4.23 -1.26 -4.80 115.64 100.04 1be2 s THR 80 Ca 0.39 0.09 -0.00 0.00 -1.18 0.00 0.00 61.69 60.99 1be2 s THR 80 Cb -0.12 -0.62 -0.00 0.00 1.34 0.00 0.00 72.50 73.10 1be2 s THR 80 CO 0.28 0.04 0.39 0.00 -0.54 0.00 0.00 174.62 174.79 1be2 n ILE 81 N 4.30 0.00 -4.26 2.99 0.13 -1.26 -4.74 119.36 116.53 1be2 n ILE 81 Ca -0.23 -0.19 -0.18 0.00 -1.10 0.00 0.00 62.75 61.05 1be2 n ILE 81 Cb 0.55 0.00 -0.11 0.00 -0.84 0.00 0.00 39.64 39.24 1be2 n ILE 81 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1be2 s SER 82 N 0.00 2.09 0.30 9.51 0.15 -1.26 -4.60 113.70 119.89 1be2 s SER 82 Ca 0.02 -0.85 -0.02 0.00 0.70 0.00 0.00 55.95 55.81 1be2 s SER 82 Cb -0.01 -0.08 0.46 0.00 -1.71 0.00 0.00 66.02 64.68 1be2 s SER 82 CO 0.01 -0.15 1.95 1.55 1.20 0.00 0.00 173.24 177.80 1be2 h PRO 83 N 3.37 1.08 -3.14 5.44 0.13 -1.80 -3.37 132.00 133.72 1be2 h PRO 83 Ca -0.40 -0.06 -0.70 0.00 -0.87 0.00 0.00 66.00 63.97 1be2 h PRO 83 Cb 1.20 -0.24 -0.36 0.00 0.13 0.00 0.00 31.00 31.73 1be2 h PRO 83 CO 0.52 0.71 -0.09 -3.47 -0.23 0.00 0.00 178.00 175.45 1be2 n ASP 84 N -4.43 4.32 -5.00 1.44 2.03 -1.26 -4.91 116.55 108.74 1be2 n ASP 84 Ca 0.10 -3.20 -0.18 0.00 0.52 0.00 0.00 54.79 52.03 1be2 n ASP 84 Cb 0.07 -1.02 0.02 0.00 -0.72 0.00 0.00 41.12 39.47 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 -1.65 2.81 -0.38 5.18 1.01 -1.26 -5.00 121.20 121.91 1be2 s ILE 85 Ca 0.29 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 60.04 1be2 s ILE 85 Cb -0.03 -2.85 0.44 0.00 0.01 0.00 0.00 42.46 40.03 1be2 s ILE 85 CO -0.10 0.00 1.45 -0.67 0.00 0.00 0.00 174.94 175.62 1be2 n ASP 86 N -1.99 3.63 -0.53 3.58 2.03 -1.26 -4.51 116.55 117.50 1be2 n ASP 86 Ca 0.09 -2.82 0.42 0.00 0.52 0.00 0.00 54.79 53.01 1be2 n ASP 86 Cb 0.60 -0.67 0.65 0.00 -0.72 0.00 0.00 41.12 40.97 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 -1.05 0.00 0.00 0.02 -1.98 -3.40 113.55 107.14 1be2 h SER 88 Ca 0.74 0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.83 1be2 h SER 88 Cb 3.19 0.46 -0.00 0.00 0.14 0.00 0.00 62.40 66.18 1be2 h SER 88 CO -0.01 -0.15 -1.07 -2.11 -1.14 0.00 0.00 176.83 172.35 1be2 n ARG 89 N -4.12 0.74 -3.75 3.45 1.85 -0.76 -5.05 116.66 109.01 1be2 n ARG 89 Ca 0.00 0.01 -0.24 0.00 -1.00 0.00 0.00 57.85 56.62 1be2 n ARG 89 Cb 0.15 -1.03 0.03 0.00 -1.05 0.00 0.00 32.46 30.56 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 -2.45 -3.83 -1.95 8.89 5.41 -0.93 -4.69 119.36 119.82 1be2 n ILE 90 Ca -0.02 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.36 1be2 n ILE 90 Cb 0.53 -3.54 0.00 0.00 -0.71 0.00 0.00 39.64 35.91 1be2 n ILE 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55