#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 2.19 0.31 1.96 -0.87 -1.26 -4.91 114.94 112.35 1be2 s ASN 2 Ca 0.00 -0.92 0.06 0.00 -1.57 0.00 0.00 52.86 50.44 1be2 s ASN 2 Cb 0.00 -0.08 0.85 0.00 -0.02 0.00 0.00 41.25 42.00 1be2 s ASN 2 CO 0.00 -0.18 1.47 0.00 -2.57 0.00 0.00 177.10 175.83 1be2 h GLY 4 N 0.00 -0.48 -0.69 0.00 0.00 -1.98 -2.10 103.07 97.82 1be2 h GLY 4 Ca 0.62 0.18 0.13 0.00 0.00 0.00 0.00 47.33 48.26 1be2 h GLY 4 CO -0.84 -0.18 -0.20 -0.18 0.00 0.00 0.00 176.54 175.14 1be2 n GLN 5 N -5.10 -0.09 0.00 4.80 -0.06 0.27 0.19 117.38 117.39 1be2 n GLN 5 Ca -0.08 1.08 0.00 0.00 -2.00 0.00 0.00 57.00 56.00 1be2 n GLN 5 Cb 0.26 -1.61 0.00 0.00 -4.06 0.00 0.00 30.24 24.83 1be2 n GLN 5 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1be2 n VAL 6 N -5.10 0.00 -0.29 1.69 0.31 0.39 -0.34 118.33 114.99 1be2 n VAL 6 Ca 0.10 1.34 0.04 0.00 -0.01 0.00 0.00 64.34 65.81 1be2 n VAL 6 Cb 0.33 -2.14 0.19 0.00 -0.91 0.00 0.00 33.84 31.30 1be2 n VAL 6 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1be2 h ASP 7 N 0.00 0.63 -0.97 4.52 1.82 -0.33 0.49 116.42 122.59 1be2 h ASP 7 Ca 0.00 0.06 0.21 0.00 -0.39 0.00 0.00 57.03 56.91 1be2 h ASP 7 Cb 0.00 -0.05 -0.12 0.00 0.68 0.00 0.00 39.33 39.84 1be2 h ASP 7 CO 0.00 0.33 0.55 0.28 -1.61 0.00 0.00 179.24 178.79 1be2 h SER 8 N 0.74 0.63 0.00 2.28 0.02 -0.02 0.19 113.55 117.39 1be2 h SER 8 Ca 0.42 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.48 1be2 h SER 8 Cb 0.46 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 1be2 h SER 8 CO -0.28 0.16 -0.55 0.50 -1.14 0.00 0.00 176.83 175.51 1be2 h LYS 9 N 0.61 0.00 -0.40 3.45 3.11 0.71 -3.41 116.57 120.65 1be2 h LYS 9 Ca 0.59 0.00 0.08 0.00 -2.81 0.00 0.00 60.65 58.51 1be2 h LYS 9 Cb 1.02 0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 32.17 1be2 h LYS 9 CO -0.44 0.07 -0.18 0.52 -2.81 0.00 0.00 179.45 176.61 1be2 h MET 10 N -1.00 -0.10 -0.20 1.90 2.86 0.01 -3.33 114.93 115.07 1be2 h MET 10 Ca -0.02 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1be2 h MET 10 Cb 0.55 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1be2 h MET 10 CO -0.01 -0.07 -0.12 1.17 1.06 0.00 0.00 176.91 178.94 1be2 n LYS 11 N -5.36 -0.09 -0.27 1.72 4.81 0.64 0.30 118.16 119.91 1be2 n LYS 11 Ca 0.02 0.41 0.08 0.00 -0.87 0.00 0.00 58.31 57.96 1be2 n LYS 11 Cb 0.27 -0.61 0.22 0.00 0.02 0.00 0.00 35.03 34.93 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 0.23 -0.01 1.64 0.13 -1.84 0.25 132.00 132.40 1be2 h PRO 12 Ca 0.03 -0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.99 1be2 h PRO 12 Cb 0.08 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.14 1be2 h PRO 12 CO -0.19 0.15 -0.72 0.00 -0.23 0.00 0.00 178.00 177.01 1be2 h LEU 14 N 0.05 0.28 0.06 0.00 3.38 0.16 0.86 115.31 120.10 1be2 h LEU 14 Ca -0.01 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1be2 h LEU 14 Cb 1.28 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 42.03 1be2 h LEU 14 CO 0.10 0.15 -0.34 0.00 0.09 0.00 0.00 178.44 178.44 1be2 h THR 15 N 0.46 0.27 -0.60 0.22 1.03 -0.54 -1.64 112.91 112.11 1be2 h THR 15 Ca 0.34 0.00 0.07 0.00 -0.01 0.00 0.00 66.41 66.80 1be2 h THR 15 Cb 0.43 0.27 -0.10 0.00 -1.07 0.00 0.00 68.15 67.69 1be2 h THR 15 CO -0.32 0.00 -0.56 0.22 -0.01 0.00 0.00 175.52 174.85 1be2 h TYR 16 N -0.53 -1.73 -0.61 0.00 3.20 0.12 0.36 116.97 117.78 1be2 h TYR 16 Ca 0.05 0.10 0.16 0.00 3.14 0.00 0.00 58.73 62.17 1be2 h TYR 16 Cb 0.59 0.83 -0.03 0.00 1.54 0.00 0.00 36.73 39.66 1be2 h TYR 16 CO -0.33 -0.45 0.43 -0.39 -1.64 0.00 0.00 178.16 175.77 1be2 h VAL 17 N -0.26 0.74 0.06 1.81 -1.51 0.07 -1.02 116.25 116.13 1be2 h VAL 17 Ca 0.11 -0.04 -0.30 0.00 -1.23 0.00 0.00 66.70 65.24 1be2 h VAL 17 Cb 0.54 0.62 -0.03 0.00 -2.13 0.00 0.00 31.29 30.29 1be2 h VAL 17 CO -0.71 0.02 -1.62 1.56 -1.23 0.00 0.00 177.57 175.59 1be2 h GLN 18 N 0.11 0.12 0.00 5.19 4.20 -0.28 0.60 115.11 125.04 1be2 h GLN 18 Ca 0.29 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1be2 h GLN 18 Cb 1.00 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1be2 h GLN 18 CO -0.03 0.85 0.00 0.41 -0.67 0.00 0.00 178.83 179.39 1be2 n GLY 19 N 1.64 -1.28 3.71 3.46 0.00 0.11 -4.87 105.19 107.95 1be2 n GLY 19 Ca -0.17 0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 1.84 -0.69 -0.02 0.00 -0.06 -4.77 107.32 103.62 1be2 s GLY 20 Ca 0.00 -1.76 -0.04 0.00 0.00 0.00 0.00 44.72 42.91 1be2 s GLY 20 CO 0.00 -1.74 2.66 -1.55 0.00 0.00 0.00 173.10 172.47 1be2 n PRO 21 N -1.07 3.03 -4.72 2.90 -0.04 -1.26 -4.57 135.00 129.27 1be2 n PRO 21 Ca -0.04 -2.67 -0.33 0.00 -0.04 0.00 0.00 63.50 60.42 1be2 n PRO 21 Cb 0.60 -2.28 -0.07 0.00 -0.04 0.00 0.00 33.50 31.71 1be2 n PRO 21 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1be2 s GLY 22 N 0.35 2.99 -1.02 0.55 0.00 -1.26 -4.55 107.32 104.39 1be2 s GLY 22 Ca 0.57 -0.43 -0.10 0.00 0.00 0.00 0.00 44.72 44.77 1be2 s GLY 22 CO -0.19 -2.19 0.99 2.56 0.00 0.00 0.00 173.10 174.28 1be2 s PRO 23 N -3.90 3.97 0.00 2.90 0.04 -1.26 -4.98 135.00 131.77 1be2 s PRO 23 Ca 0.07 -3.02 0.00 0.00 0.04 0.00 0.00 61.00 58.09 1be2 s PRO 23 Cb 0.01 -4.47 0.00 0.00 0.04 0.00 0.00 34.50 30.08 1be2 s PRO 23 CO 0.04 -1.25 0.00 0.43 0.04 0.00 0.00 177.00 176.25 1be2 n SER 24 N 3.02 0.00 0.00 6.66 7.64 -1.26 -4.57 113.62 125.11 1be2 n SER 24 Ca 0.21 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1be2 n SER 24 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 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 -0.77 3.47 0.34 0.23 0.00 -1.26 -4.96 105.19 102.24 1be2 n GLY 25 Ca 0.00 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.35 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 0.00 1.61 -0.00 -1.26 -3.04 120.64 117.86 1be2 n GLU 26 Ca 0.00 1.47 0.00 0.00 -0.00 0.00 0.00 57.16 58.63 1be2 n GLU 26 Cb 0.00 -2.20 0.00 0.00 -0.00 0.00 0.00 31.44 29.24 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 0.00 -0.16 -0.73 0.00 -0.73 -1.28 -0.75 115.58 111.94 1be2 h ASN 29 Ca 0.68 -0.27 0.07 0.00 1.87 0.00 0.00 56.30 58.66 1be2 h ASN 29 Cb 1.78 0.04 -0.06 0.00 0.27 0.00 0.00 38.32 40.35 1be2 h ASN 29 CO -0.65 0.19 0.40 1.23 -0.37 0.00 0.00 177.43 178.23 1be2 h GLY 30 N -0.52 1.09 -0.01 1.57 0.00 0.31 -0.81 103.07 104.69 1be2 h GLY 30 Ca -0.02 -0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.07 1be2 h GLY 30 CO 0.03 0.14 -0.47 -2.08 0.00 0.00 0.00 176.54 174.16 1be2 h VAL 31 N 0.72 0.09 -0.47 4.60 2.07 -0.21 0.28 116.25 123.32 1be2 h VAL 31 Ca 0.34 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.94 1be2 h VAL 31 Cb 0.26 0.09 -0.10 0.00 -1.52 0.00 0.00 31.29 30.02 1be2 h VAL 31 CO -0.21 0.00 -0.38 0.03 0.02 0.00 0.00 177.57 177.03 1be2 h ARG 32 N -0.55 -0.25 -0.65 1.57 2.47 0.23 0.36 114.38 117.56 1be2 h ARG 32 Ca 0.05 0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.86 1be2 h ARG 32 Cb 0.66 0.06 -0.10 0.00 -1.65 0.00 0.00 29.97 28.94 1be2 h ARG 32 CO -0.39 -0.16 -0.57 -0.44 0.56 0.00 0.00 179.97 178.96 1be2 h ASP 33 N -0.26 -1.99 -0.84 7.04 3.32 0.06 0.93 116.42 124.68 1be2 h ASP 33 Ca 0.17 0.28 0.05 0.00 0.02 0.00 0.00 57.03 57.55 1be2 h ASP 33 Cb 0.56 0.84 -0.05 0.00 0.22 0.00 0.00 39.33 40.90 1be2 h ASP 33 CO -0.60 -0.33 0.55 -0.07 -1.72 0.00 0.00 179.24 177.07 1be2 h LEU 34 N -0.24 0.85 -1.80 1.55 4.07 0.04 0.47 115.31 120.25 1be2 h LEU 34 Ca 0.11 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1be2 h LEU 34 Cb 0.52 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1be2 h LEU 34 CO -0.73 0.57 0.00 -0.74 -1.08 0.00 0.00 178.44 176.45 1be2 h HIS 35 N 0.98 0.00 0.00 1.13 2.76 0.46 0.30 115.15 120.78 1be2 h HIS 35 Ca 0.35 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 58.16 1be2 h HIS 35 Cb 0.14 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.03 1be2 h HIS 35 CO -0.00 0.00 -2.28 0.09 -1.30 0.00 0.00 177.93 174.44 1be2 n ASN 36 N -3.03 0.38 0.02 3.26 3.02 0.23 -4.37 115.26 114.77 1be2 n ASN 36 Ca -0.00 0.06 -0.18 0.00 -0.03 0.00 0.00 54.58 54.42 1be2 n ASN 36 Cb 0.24 0.65 -0.13 0.00 -0.61 0.00 0.00 39.78 39.93 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 0.28 -5.80 3.52 4.20 0.06 -3.41 115.11 113.96 1be2 h GLN 37 Ca -0.51 -0.42 -0.59 0.00 0.06 0.00 0.00 58.65 57.19 1be2 h GLN 37 Cb 2.17 0.14 -0.09 0.00 0.30 0.00 0.00 27.48 30.01 1be2 h GLN 37 CO 0.03 1.16 0.45 0.00 -0.67 0.00 0.00 178.83 179.80 1be2 s ALA 38 N -2.65 3.63 -0.11 3.87 0.00 0.10 -4.93 121.76 121.67 1be2 s ALA 38 Ca -0.14 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 51.78 1be2 s ALA 38 Cb 0.01 -3.27 -0.13 0.00 0.00 0.00 0.00 23.12 19.74 1be2 s ALA 38 CO 0.81 -0.88 0.01 1.04 0.00 0.00 0.00 175.76 176.74 1be2 n GLN 39 N 5.88 1.96 0.00 0.00 6.02 -1.26 -4.63 117.38 125.35 1be2 n GLN 39 Ca 0.05 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1be2 n GLN 39 Cb 0.48 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.46 1be2 n GLN 39 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1be2 n SER 40 N -2.47 0.00 -0.06 1.08 3.41 -1.26 -5.02 113.62 109.30 1be2 n SER 40 Ca -0.19 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.37 1be2 n SER 40 Cb 0.84 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.77 1be2 n SER 40 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1be2 n SER 41 N 0.00 1.24 -0.07 4.04 3.41 -1.26 -4.02 113.62 116.97 1be2 n SER 41 Ca 0.00 0.26 0.04 0.00 -0.26 0.00 0.00 58.87 58.90 1be2 n SER 41 Cb 0.00 -0.67 0.07 0.00 -0.26 0.00 0.00 64.21 63.35 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 1.50 -0.24 0.06 5.00 0.00 -1.26 0.87 105.19 111.12 1be2 n GLY 42 Ca -0.08 0.19 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 -0.08 1.61 3.04 -1.98 -3.30 116.42 115.70 1be2 h ASP 43 Ca 0.13 -0.00 0.02 0.00 -3.24 0.00 0.00 57.03 53.93 1be2 h ASP 43 Cb 0.29 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.55 1be2 h ASP 43 CO -0.18 0.61 -0.26 0.03 -2.04 0.00 0.00 179.24 177.40 1be2 h ARG 44 N -1.00 -0.26 -0.86 4.15 -0.00 -0.62 -1.92 114.38 113.88 1be2 h ARG 44 Ca -0.00 0.02 0.23 0.00 -0.50 0.00 0.00 59.98 59.72 1be2 h ARG 44 Cb 0.21 0.06 -0.16 0.00 0.00 0.00 0.00 29.97 30.08 1be2 h ARG 44 CO -0.00 -0.17 -0.02 1.04 0.00 0.00 0.00 179.97 180.82 1be2 n GLN 45 N -3.93 -0.07 0.23 0.04 1.13 0.25 0.64 117.38 115.68 1be2 n GLN 45 Ca -0.03 1.29 -0.09 0.00 -1.94 0.00 0.00 57.00 56.24 1be2 n GLN 45 Cb 0.18 -2.03 -0.04 0.00 0.11 0.00 0.00 30.24 28.45 1be2 n GLN 45 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1be2 h THR 46 N 0.00 0.00 -0.78 5.09 2.02 -1.45 0.27 112.91 118.05 1be2 h THR 46 Ca 0.50 -0.05 0.21 0.00 0.77 0.00 0.00 66.41 67.84 1be2 h THR 46 Cb 1.00 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1be2 h THR 46 CO -0.82 0.00 0.55 0.58 0.37 0.00 0.00 175.52 176.20 1be2 h VAL 47 N -0.64 0.65 0.60 3.16 2.07 -0.54 -1.26 116.25 120.30 1be2 h VAL 47 Ca -0.06 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1be2 h VAL 47 Cb 0.45 0.51 0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1be2 h VAL 47 CO 0.10 0.02 -0.29 0.00 0.02 0.00 0.00 177.57 177.43 1be2 h ASN 49 N -1.14 0.29 0.48 0.00 2.35 0.69 0.31 115.58 118.56 1be2 h ASN 49 Ca -0.08 0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1be2 h ASN 49 Cb 0.65 0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.21 1be2 h ASN 49 CO 0.13 -0.10 -0.23 0.00 -1.65 0.00 0.00 177.43 175.58 1be2 h LEU 51 N -1.06 -0.02 -0.24 0.00 6.46 0.28 0.24 115.31 120.97 1be2 h LEU 51 Ca -0.07 0.10 -0.07 0.00 -0.12 0.00 0.00 57.88 57.72 1be2 h LEU 51 Cb 0.50 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 1be2 h LEU 51 CO 0.11 0.01 -0.12 0.50 -0.62 0.00 0.00 178.44 178.32 1be2 h LYS 52 N 0.23 0.51 -0.52 1.25 3.64 -0.53 -0.59 116.57 120.57 1be2 h LYS 52 Ca 0.27 -0.23 0.09 0.00 -1.27 0.00 0.00 60.65 59.51 1be2 h LYS 52 Cb 0.38 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.09 1be2 h LYS 52 CO -0.36 0.78 -0.40 0.78 -2.27 0.00 0.00 179.45 177.98 1be2 h GLY 53 N 0.23 -0.38 0.90 5.01 0.00 0.16 0.21 103.07 109.20 1be2 h GLY 53 Ca 0.05 0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.88 1be2 h GLY 53 CO 0.04 -0.18 -0.25 -2.22 0.00 0.00 0.00 176.54 173.92 1be2 h ILE 54 N -0.24 0.47 -0.98 2.60 2.04 -0.41 0.25 117.51 121.25 1be2 h ILE 54 Ca 0.18 0.00 0.38 0.00 1.00 0.00 0.00 64.86 66.42 1be2 h ILE 54 Cb 0.56 0.47 -0.14 0.00 -0.74 0.00 0.00 36.82 36.97 1be2 h ILE 54 CO -0.64 0.00 0.57 0.00 0.00 0.00 0.00 178.15 178.07 1be2 n ALA 55 N -2.44 0.99 0.13 1.87 0.00 0.50 0.17 120.51 121.73 1be2 n ALA 55 Ca -0.11 0.84 -0.24 0.00 0.00 0.00 0.00 53.44 53.93 1be2 n ALA 55 Cb 0.29 -0.90 -0.16 0.00 0.00 0.00 0.00 19.45 18.69 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 0.50 -1.96 0.00 3.08 -0.00 -3.32 114.38 112.67 1be2 h ARG 56 Ca 0.75 -0.86 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 1be2 h ARG 56 Cb 2.12 0.32 -0.02 0.00 0.08 0.00 0.00 29.97 32.47 1be2 h ARG 56 CO -0.58 1.41 0.00 0.41 -1.07 0.00 0.00 179.97 180.14 1be2 n GLY 57 N 1.75 2.67 0.89 0.04 0.00 0.45 -4.74 105.19 106.27 1be2 n GLY 57 Ca -0.19 -0.19 -0.07 0.00 0.00 0.00 0.00 46.02 45.57 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 1.49 0.00 -0.01 -0.61 5.41 -1.05 -4.92 119.36 119.66 1be2 n ILE 58 Ca 0.06 -0.63 -0.01 0.00 1.00 0.00 0.00 62.75 63.17 1be2 n ILE 58 Cb 0.54 0.21 -0.00 0.00 -0.71 0.00 0.00 39.64 39.68 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 -0.26 0.03 -3.33 1.39 -0.00 -1.26 -4.90 115.22 106.90 1be2 n HIS 59 Ca -0.02 0.01 -0.25 0.00 -0.00 0.00 0.00 57.72 57.46 1be2 n HIS 59 Cb 0.16 -0.13 -0.08 0.00 -0.00 0.00 0.00 29.99 29.94 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 -2.69 0.99 -4.50 0.26 4.05 -1.26 -5.11 115.26 107.00 1be2 n ASN 60 Ca -0.01 -2.82 -0.46 0.00 0.45 0.00 0.00 54.58 51.73 1be2 n ASN 60 Cb 0.06 -0.64 -0.02 0.00 1.23 0.00 0.00 39.78 40.41 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 1.61 0.33 -4.06 1.20 -0.00 -1.26 -4.55 117.00 110.27 1be2 n LEU 61 Ca 0.25 1.16 -0.35 0.00 -0.00 0.00 0.00 56.01 57.06 1be2 n LEU 61 Cb 0.48 -1.13 -0.10 0.00 -0.00 0.00 0.00 43.42 42.68 1be2 n LEU 61 CO 0.21 -2.16 0.05 0.21 -0.00 0.00 0.00 177.39 175.70 1be2 s ASN 62 N -0.77 5.17 0.04 1.96 2.47 0.21 -4.93 114.94 119.08 1be2 s ASN 62 Ca 0.61 -3.09 -0.01 0.00 0.42 0.00 0.00 52.86 50.79 1be2 s ASN 62 Cb -0.81 -1.81 0.08 0.00 -1.45 0.00 0.00 41.25 37.26 1be2 s ASN 62 CO 0.58 -0.30 0.23 0.00 -3.72 0.00 0.00 177.10 173.89 1be2 n LEU 63 N 3.13 -0.04 -0.33 3.21 -0.00 -1.26 0.10 117.00 121.81 1be2 n LEU 63 Ca 0.10 0.25 0.04 0.00 -0.00 0.00 0.00 56.01 56.40 1be2 n LEU 63 Cb 0.37 -0.08 0.11 0.00 -0.00 0.00 0.00 43.42 43.81 1be2 n LEU 63 CO 0.34 -0.25 0.66 -1.13 -0.00 0.00 0.00 177.39 177.01 1be2 h ASN 64 N 0.00 -0.93 0.58 1.45 -0.00 -1.96 0.23 115.58 114.96 1be2 h ASN 64 Ca 0.08 0.28 -0.02 0.00 -0.00 0.00 0.00 56.30 56.63 1be2 h ASN 64 Cb 0.13 0.59 -0.02 0.00 -0.00 0.00 0.00 38.32 39.03 1be2 h ASN 64 CO -0.15 -0.30 -0.50 0.78 -0.00 0.00 0.00 177.43 177.26 1be2 h ASN 65 N -0.01 -1.34 -0.86 1.15 4.21 -0.69 0.12 115.58 118.17 1be2 h ASN 65 Ca 0.42 0.10 0.22 0.00 1.21 0.00 0.00 56.30 58.25 1be2 h ASN 65 Cb 0.66 0.43 -0.13 0.00 -1.12 0.00 0.00 38.32 38.15 1be2 h ASN 65 CO -0.94 -0.69 0.24 0.00 -1.29 0.00 0.00 177.43 174.75 1be2 h ALA 66 N -1.00 1.23 0.03 -0.83 0.00 -0.74 -0.53 119.26 117.42 1be2 h ALA 66 Ca -0.08 0.21 -0.22 0.00 0.00 0.00 0.00 54.91 54.83 1be2 h ALA 66 Cb 0.90 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1be2 h ALA 66 CO -0.01 -0.43 -1.02 0.00 0.00 0.00 0.00 179.25 177.79 1be2 h ALA 67 N 1.75 0.34 -0.83 0.00 0.00 -0.55 -3.15 119.26 116.81 1be2 h ALA 67 Ca 0.53 -0.87 0.04 0.00 0.00 0.00 0.00 54.91 54.61 1be2 h ALA 67 Cb 1.03 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1be2 h ALA 67 CO -0.62 1.15 0.52 1.03 0.00 0.00 0.00 179.25 181.33 1be2 h SER 68 N 0.02 0.85 0.02 0.00 0.87 0.80 -1.71 113.55 114.41 1be2 h SER 68 Ca -0.04 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1be2 h SER 68 Cb 1.76 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 63.49 1be2 h SER 68 CO 0.14 0.57 -0.43 0.40 -0.53 0.00 0.00 176.83 176.98 1be2 h ILE 69 N 1.00 0.00 -0.21 2.23 1.08 -1.27 0.33 117.51 120.66 1be2 h ILE 69 Ca 0.34 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.87 1be2 h ILE 69 Cb 0.07 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.81 1be2 h ILE 69 CO -0.14 0.00 0.17 1.55 -0.69 0.00 0.00 178.15 179.04 1be2 h PRO 70 N -0.55 0.00 0.35 2.37 0.13 -1.65 -2.16 132.00 130.49 1be2 h PRO 70 Ca 0.01 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.12 1be2 h PRO 70 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1be2 h PRO 70 CO -0.28 0.00 -0.17 1.03 -0.23 0.00 0.00 178.00 178.35 1be2 h SER 71 N 0.00 -0.40 -0.59 1.44 0.87 -0.33 0.14 113.55 114.68 1be2 h SER 71 Ca 0.10 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.73 1be2 h SER 71 Cb 0.43 0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 62.42 1be2 h SER 71 CO -0.00 -0.13 -0.35 0.29 -0.53 0.00 0.00 176.83 176.11 1be2 n LYS 72 N -4.14 -0.26 -1.22 2.24 5.02 0.10 0.47 118.16 120.37 1be2 n LYS 72 Ca -0.06 1.01 -0.30 0.00 -2.02 0.00 0.00 58.31 56.95 1be2 n LYS 72 Cb 0.19 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 33.79 1be2 n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1be2 n ASN 74 N -0.71 -0.89 -0.91 0.00 3.02 0.18 -4.84 115.26 111.12 1be2 n ASN 74 Ca 0.56 -0.13 0.08 0.00 -0.03 0.00 0.00 54.58 55.06 1be2 n ASN 74 Cb 0.77 -0.28 0.22 0.00 -0.61 0.00 0.00 39.78 39.88 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 -0.60 1.16 -1.93 2.41 0.31 0.47 -5.04 118.33 115.12 1be2 n VAL 75 Ca -0.04 -1.08 0.00 0.00 -0.01 0.00 0.00 64.34 63.21 1be2 n VAL 75 Cb 0.12 0.42 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 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 0.76 0.00 -3.89 4.52 2.04 -1.26 -4.94 115.26 112.50 1be2 n ASN 76 Ca 0.17 0.00 -0.13 0.00 -0.44 0.00 0.00 54.58 54.18 1be2 n ASN 76 Cb 0.55 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.65 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 -1.40 0.10 0.27 3.53 0.11 -1.26 -5.04 120.40 116.71 1be2 s VAL 77 Ca 0.00 -0.06 -0.00 0.00 -2.93 0.00 0.00 61.98 58.99 1be2 s VAL 77 Cb 0.00 -0.09 0.26 0.00 -1.53 0.00 0.00 36.38 35.01 1be2 s VAL 77 CO 0.00 0.03 1.71 -0.65 -3.33 0.00 0.00 175.10 172.86 1be2 h PRO 78 N 6.12 0.42 -5.49 1.54 0.11 -1.92 -3.41 132.00 129.37 1be2 h PRO 78 Ca -0.25 -0.03 -0.61 0.00 0.11 0.00 0.00 66.00 65.23 1be2 h PRO 78 Cb 1.21 -0.09 -0.11 0.00 0.11 0.00 0.00 31.00 32.11 1be2 h PRO 78 CO 0.51 0.28 0.10 1.52 -0.21 0.00 0.00 178.00 180.20 1be2 s TYR 79 N -5.96 3.29 -0.04 0.65 -0.85 -1.26 -4.71 117.35 108.47 1be2 s TYR 79 Ca -0.12 0.78 0.01 0.00 -0.52 0.00 0.00 57.07 57.22 1be2 s TYR 79 Cb 0.23 -2.80 0.02 0.00 0.38 0.00 0.00 41.96 39.79 1be2 s TYR 79 CO 0.77 -0.29 -0.06 0.95 -1.52 0.00 0.00 175.55 175.40 1be2 s THR 80 N 2.35 0.66 0.00 -3.49 -4.23 -1.26 -5.00 115.64 104.67 1be2 s THR 80 Ca 0.25 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.55 1be2 s THR 80 Cb -0.16 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 73.03 1be2 s THR 80 CO 0.09 0.25 0.00 0.00 -0.54 0.00 0.00 174.62 174.41 1be2 n ILE 81 N 3.90 0.00 -3.88 2.99 0.13 -1.26 -4.82 119.36 116.42 1be2 n ILE 81 Ca -0.24 0.00 -0.11 0.00 -1.10 0.00 0.00 62.75 61.30 1be2 n ILE 81 Cb 0.51 0.00 -0.10 0.00 -0.84 0.00 0.00 39.64 39.22 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 0.05 0.30 9.51 0.01 -1.26 -4.76 113.70 117.55 1be2 s SER 82 Ca 0.00 -0.26 0.05 0.00 1.31 0.00 0.00 55.95 57.05 1be2 s SER 82 Cb 0.00 0.20 0.80 0.00 0.21 0.00 0.00 66.02 67.24 1be2 s SER 82 CO 0.00 -0.39 1.65 1.55 0.41 0.00 0.00 173.24 176.46 1be2 h PRO 83 N 4.19 0.21 -1.89 12.44 0.13 -1.88 -2.84 132.00 142.37 1be2 h PRO 83 Ca -0.31 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 1be2 h PRO 83 Cb 1.19 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1be2 h PRO 83 CO 0.42 0.14 0.01 -3.47 -0.23 0.00 0.00 178.00 174.87 1be2 n ASP 84 N -5.20 5.14 -4.83 1.44 2.03 -1.26 -4.88 116.55 109.00 1be2 n ASP 84 Ca 0.24 -2.39 -0.37 0.00 0.52 0.00 0.00 54.79 52.80 1be2 n ASP 84 Cb 0.76 -1.07 -0.07 0.00 -0.72 0.00 0.00 41.12 40.03 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 -0.06 5.41 -1.12 5.18 1.01 -1.07 -4.93 121.20 125.61 1be2 s ILE 85 Ca 0.01 0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.94 1be2 s ILE 85 Cb 0.01 -3.48 0.22 0.00 0.01 0.00 0.00 42.46 39.22 1be2 s ILE 85 CO 0.00 0.55 2.12 -0.67 0.00 0.00 0.00 174.94 176.94 1be2 n ASP 86 N 2.46 7.64 -0.30 3.58 -0.08 -1.26 -4.71 116.55 123.88 1be2 n ASP 86 Ca -0.18 -3.44 0.19 0.00 -1.51 0.00 0.00 54.79 49.86 1be2 n ASP 86 Cb 0.54 -1.25 0.37 0.00 2.34 0.00 0.00 41.12 43.11 1be2 n ASP 86 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1be2 n SER 88 N -5.18 0.00 -0.09 0.00 7.64 -1.26 -4.05 113.62 110.68 1be2 n SER 88 Ca 0.26 0.85 -0.11 0.00 1.01 0.00 0.00 58.87 60.88 1be2 n SER 88 Cb 0.87 -0.35 -0.10 0.00 -1.01 0.00 0.00 64.21 63.62 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 -2.33 0.85 0.00 1.43 1.85 -1.17 -4.89 116.66 112.40 1be2 n ARG 89 Ca 0.00 0.07 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 1be2 n ARG 89 Cb 0.00 -1.38 0.00 0.00 -1.05 0.00 0.00 32.46 30.03 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 -2.88 0.00 -0.47 8.89 5.41 -0.94 -4.92 119.36 124.44 1be2 n ILE 90 Ca -0.30 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.45 1be2 n ILE 90 Cb 0.90 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.83 1be2 n ILE 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55