#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nmr n SER 2 N 0.00 -7.45 -2.69 1.61 7.64 -1.26 -5.01 113.62 106.46 1nmr n SER 2 Ca 0.00 0.64 -0.07 0.00 1.01 0.00 0.00 58.87 60.45 1nmr n SER 2 Cb 0.00 -5.01 0.06 0.00 -1.01 0.00 0.00 64.21 58.25 1nmr n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1nmr n SER 3 N -0.15 0.62 -1.85 6.43 2.88 -1.26 -4.90 113.62 115.39 1nmr n SER 3 Ca 0.09 -2.57 -0.02 0.00 -1.33 0.00 0.00 58.87 55.04 1nmr n SER 3 Cb 0.34 -0.14 0.30 0.00 -0.75 0.00 0.00 64.21 63.96 1nmr n SER 3 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1nmr n LEU 4 N -0.28 5.55 -4.75 2.46 4.77 -1.26 -4.96 117.00 118.53 1nmr n LEU 4 Ca 0.05 -2.87 -0.40 0.00 -0.03 0.00 0.00 56.01 52.76 1nmr n LEU 4 Cb 0.83 -0.71 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1nmr n LEU 4 CO 0.16 0.71 0.72 0.00 -1.33 0.00 0.00 177.39 177.65 1nmr s ALA 5 N -2.67 3.37 0.14 -1.18 0.00 -1.26 -4.96 121.76 115.19 1nmr s ALA 5 Ca 0.49 0.75 0.01 0.00 0.00 0.00 0.00 51.96 53.21 1nmr s ALA 5 Cb 0.39 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 20.14 1nmr s ALA 5 CO 0.13 0.01 1.31 0.77 0.00 0.00 0.00 175.76 177.98 1nmr h SER 6 N 4.10 0.29 -0.43 0.00 0.02 -2.04 -3.24 113.55 112.25 1nmr h SER 6 Ca -0.46 -0.26 -0.25 0.00 -0.84 0.00 0.00 61.79 59.98 1nmr h SER 6 Cb 1.21 -0.09 -0.13 0.00 0.14 0.00 0.00 62.40 63.53 1nmr h SER 6 CO 0.68 1.10 0.32 0.00 -1.14 0.00 0.00 176.83 177.79 1nmr n GLN 7 N -3.61 1.61 -1.35 3.45 10.64 -1.26 -4.87 117.38 121.99 1nmr n GLN 7 Ca -0.04 -1.34 -0.01 0.00 -1.83 0.00 0.00 57.00 53.78 1nmr n GLN 7 Cb 0.87 -1.52 0.00 0.00 -0.86 0.00 0.00 30.24 28.72 1nmr n GLN 7 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1nmr n GLY 8 N 0.08 2.54 0.45 2.61 0.00 -1.23 -4.99 105.19 104.65 1nmr n GLY 8 Ca 0.26 -2.16 0.01 0.00 0.00 0.00 0.00 46.02 44.14 1nmr n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nmr n GLN 9 N -0.78 1.36 0.04 1.61 10.64 -1.26 -3.97 117.38 125.02 1nmr n GLN 9 Ca 0.00 -0.36 0.06 0.00 -1.83 0.00 0.00 57.00 54.87 1nmr n GLN 9 Cb 0.02 -1.36 0.27 0.00 -0.86 0.00 0.00 30.24 28.31 1nmr n GLN 9 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1nmr n ASN 10 N -0.06 0.16 -0.05 2.61 2.85 -1.26 -2.60 115.26 116.90 1nmr n ASN 10 Ca 0.03 0.55 -0.02 0.00 -0.11 0.00 0.00 54.58 55.03 1nmr n ASN 10 Cb 0.24 -0.58 -0.02 0.00 1.24 0.00 0.00 39.78 40.66 1nmr n ASN 10 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1nmr h LEU 11 N 0.00 0.00 -1.90 1.20 3.38 -1.87 -3.08 115.31 113.04 1nmr h LEU 11 Ca 0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1nmr h LEU 11 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1nmr h LEU 11 CO 0.00 0.58 0.05 -1.28 0.09 0.00 0.00 178.44 177.88 1nmr h SER 12 N -1.00 0.09 0.13 -0.43 0.87 -1.84 -3.16 113.55 108.22 1nmr h SER 12 Ca -0.00 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1nmr h SER 12 Cb 0.16 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1nmr h SER 12 CO -0.00 0.08 -0.06 0.74 -0.53 0.00 0.00 176.83 177.05 1nmr h THR 13 N 0.11 0.00 -4.40 2.23 2.02 -1.63 -3.46 112.91 107.79 1nmr h THR 13 Ca 0.03 -0.05 -0.47 0.00 0.77 0.00 0.00 66.41 66.69 1nmr h THR 13 Cb 0.00 0.00 0.11 0.00 -1.74 0.00 0.00 68.15 66.53 1nmr h THR 13 CO -0.01 0.00 0.35 0.54 0.37 0.00 0.00 175.52 176.78 1nmr s VAL 14 N -2.89 2.20 -0.92 3.16 0.11 -1.16 -4.89 120.40 116.00 1nmr s VAL 14 Ca -0.03 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 1nmr s VAL 14 Cb 0.00 -2.92 0.00 0.00 -1.53 0.00 0.00 36.38 31.93 1nmr s VAL 14 CO 0.08 -0.08 0.30 -0.11 -3.33 0.00 0.00 175.10 171.96 1nmr n LEU 15 N -3.52 0.65 -3.39 2.54 0.00 -1.26 -4.57 117.00 107.46 1nmr n LEU 15 Ca 0.07 -0.33 -0.32 0.00 0.00 0.00 0.00 56.01 55.43 1nmr n LEU 15 Cb 0.59 -0.28 -0.03 0.00 0.00 0.00 0.00 43.42 43.70 1nmr n LEU 15 CO 0.57 0.15 2.29 0.00 0.00 0.00 0.00 177.39 180.40 1nmr n ALA 16 N 0.26 4.20 0.07 1.96 0.00 -1.25 -3.98 120.51 121.76 1nmr n ALA 16 Ca 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 53.44 50.80 1nmr n ALA 16 Cb 0.15 -3.29 0.00 0.00 0.00 0.00 0.00 19.45 16.31 1nmr n ALA 16 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1nmr n ASN 17 N 5.64 0.65 -3.83 0.00 2.85 -1.26 -4.77 115.26 114.54 1nmr n ASN 17 Ca 0.47 0.21 -0.28 0.00 -0.11 0.00 0.00 54.58 54.87 1nmr n ASN 17 Cb 0.26 -0.10 -0.12 0.00 1.24 0.00 0.00 39.78 41.05 1nmr n ASN 17 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1nmr s LEU 18 N -6.74 4.13 -0.16 1.20 1.02 -1.26 -4.93 118.68 111.94 1nmr s LEU 18 Ca 0.00 -3.53 -0.20 0.00 0.02 0.00 0.00 54.13 50.42 1nmr s LEU 18 Cb 0.00 -1.43 -0.23 0.00 0.02 0.00 0.00 46.19 44.55 1nmr s LEU 18 CO 0.00 -0.13 0.41 0.74 0.02 0.00 0.00 176.35 177.39 1nmr h THR 19 N 4.66 1.08 0.00 5.49 2.02 -1.94 -3.16 112.91 121.06 1nmr h THR 19 Ca 0.12 -2.28 0.00 0.00 0.77 0.00 0.00 66.41 65.02 1nmr h THR 19 Cb 0.81 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.79 1nmr h THR 19 CO 0.65 0.50 0.00 1.55 0.37 0.00 0.00 175.52 178.59 1nmr h PRO 20 N -0.75 0.00 0.06 6.66 0.13 -1.97 0.44 132.00 136.57 1nmr h PRO 20 Ca -0.28 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.66 1nmr h PRO 20 Cb 1.42 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.54 1nmr h PRO 20 CO -0.09 0.00 -0.98 1.49 -0.23 0.00 0.00 178.00 178.20 1nmr h GLU 21 N 0.00 0.12 0.10 0.86 4.81 -1.97 -3.10 114.58 115.41 1nmr h GLU 21 Ca 0.00 -0.21 -0.18 0.00 -0.13 0.00 0.00 59.36 58.84 1nmr h GLU 21 Cb 0.40 0.08 0.02 0.00 0.63 0.00 0.00 28.75 29.88 1nmr h GLU 21 CO 0.00 1.10 -0.76 1.96 -0.73 0.00 0.00 179.01 180.59 1nmr h GLN 22 N -0.66 0.34 0.30 1.92 1.08 -1.50 -3.03 115.11 113.56 1nmr h GLN 22 Ca -0.23 -0.50 -0.01 0.00 -1.45 0.00 0.00 58.65 56.46 1nmr h GLN 22 Cb 1.44 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 29.05 1nmr h GLN 22 CO -0.02 1.20 -0.14 0.37 -0.95 0.00 0.00 178.83 179.29 1nmr h GLN 23 N -0.28 -0.39 0.00 1.46 5.75 -0.31 -2.48 115.11 118.86 1nmr h GLN 23 Ca -0.12 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 1nmr h GLN 23 Cb 1.55 0.09 0.00 0.00 1.07 0.00 0.00 27.48 30.19 1nmr h GLN 23 CO 0.14 -0.15 0.00 0.87 -2.65 0.00 0.00 178.83 177.05 1nmr h LYS 24 N -0.57 0.00 0.26 1.69 1.79 -1.67 -2.68 116.57 115.39 1nmr h LYS 24 Ca -0.04 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1nmr h LYS 24 Cb 0.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1nmr h LYS 24 CO 0.07 0.00 -0.13 -0.97 -1.08 0.00 0.00 179.45 177.34 1nmr h ASN 25 N 0.00 -0.30 -0.33 0.86 -0.73 -1.31 -2.78 115.58 110.99 1nmr h ASN 25 Ca 0.00 -0.21 0.03 0.00 1.87 0.00 0.00 56.30 58.00 1nmr h ASN 25 Cb 0.09 0.08 -0.03 0.00 0.27 0.00 0.00 38.32 38.72 1nmr h ASN 25 CO 0.00 0.08 0.13 1.62 -0.37 0.00 0.00 177.43 178.88 1nmr h VAL 26 N -0.72 0.92 -0.25 2.57 3.04 -1.31 -1.05 116.25 119.46 1nmr h VAL 26 Ca -0.04 -0.09 0.06 0.00 -1.01 0.00 0.00 66.70 65.62 1nmr h VAL 26 Cb 0.49 0.62 -0.08 0.00 -2.01 0.00 0.00 31.29 30.32 1nmr h VAL 26 CO 0.06 0.05 -0.40 -0.07 -1.01 0.00 0.00 177.57 176.20 1nmr h LEU 27 N 0.28 -1.28 -0.07 3.16 3.38 -1.57 0.76 115.31 119.98 1nmr h LEU 27 Ca 0.15 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 1nmr h LEU 27 Cb 0.11 0.54 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1nmr h LEU 27 CO -0.14 -0.39 0.04 1.23 0.09 0.00 0.00 178.44 179.27 1nmr h GLY 28 N -0.40 0.10 1.00 0.83 0.00 -1.26 0.54 103.07 103.88 1nmr h GLY 28 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1nmr h GLY 28 CO -0.46 0.04 -0.24 0.83 0.00 0.00 0.00 176.54 176.71 1nmr h GLU 29 N 0.05 -0.65 0.00 4.80 4.39 -0.77 -0.87 114.58 121.53 1nmr h GLU 29 Ca 0.02 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1nmr h GLU 29 Cb 0.04 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1nmr h GLU 29 CO -0.00 -0.43 -0.04 0.00 -1.16 0.00 0.00 179.01 177.38 1nmr h ARG 30 N -0.68 0.00 0.37 2.33 2.47 0.57 -3.01 114.38 116.43 1nmr h ARG 30 Ca -0.07 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.63 1nmr h ARG 30 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1nmr h ARG 30 CO 0.11 0.04 -0.18 1.25 0.56 0.00 0.00 179.97 181.75 1nmr h LEU 31 N 0.00 -0.42 -1.32 3.04 5.85 0.82 -3.22 115.31 120.07 1nmr h LEU 31 Ca -0.00 0.01 0.27 0.00 0.84 0.00 0.00 57.88 59.01 1nmr h LEU 31 Cb 0.23 0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.27 1nmr h LEU 31 CO 0.00 -0.02 0.67 0.22 -0.34 0.00 0.00 178.44 178.98 1nmr h TYR 32 N -1.06 0.69 -0.42 1.25 3.20 -1.10 -0.52 116.97 119.01 1nmr h TYR 32 Ca -0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1nmr h TYR 32 Cb 0.38 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 1nmr h TYR 32 CO 0.01 0.04 0.27 -0.97 -1.64 0.00 0.00 178.16 175.87 1nmr h ASN 33 N 0.40 0.49 -0.66 -2.11 -1.24 -1.59 2.73 115.58 113.59 1nmr h ASN 33 Ca 0.61 -0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.56 1nmr h ASN 33 Cb 1.53 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 40.43 1nmr h ASN 33 CO -0.33 0.37 0.30 1.12 -1.29 0.00 0.00 177.43 177.61 1nmr h HIS 34 N 0.56 0.97 0.10 0.67 2.07 -1.10 -3.23 115.15 115.19 1nmr h HIS 34 Ca 0.15 -0.06 -0.31 0.00 -2.85 0.00 0.00 60.37 57.31 1nmr h HIS 34 Cb -0.04 -0.30 -0.01 0.00 2.57 0.00 0.00 27.41 29.63 1nmr h HIS 34 CO -0.04 0.74 -1.65 0.97 -3.07 0.00 0.00 177.93 174.88 1nmr h ILE 35 N 0.92 0.83 -0.87 6.12 2.10 -1.24 -3.14 117.51 122.23 1nmr h ILE 35 Ca 0.22 -2.33 0.17 0.00 1.08 0.00 0.00 64.86 64.00 1nmr h ILE 35 Cb 0.15 2.52 -0.16 0.00 -1.09 0.00 0.00 36.82 38.24 1nmr h ILE 35 CO -0.02 0.71 -0.23 1.62 -1.08 0.00 0.00 178.15 179.15 1nmr h VAL 36 N -0.27 0.13 0.00 2.19 3.04 0.48 3.42 116.25 125.23 1nmr h VAL 36 Ca -0.37 0.00 -0.16 0.00 -1.01 0.00 0.00 66.70 65.16 1nmr h VAL 36 Cb 1.80 0.13 -0.02 0.00 -2.01 0.00 0.00 31.29 31.18 1nmr h VAL 36 CO 0.02 0.00 -0.77 0.00 -1.01 0.00 0.00 177.57 175.81 1nmr h ALA 37 N 1.83 0.68 0.00 3.17 0.00 -1.74 -3.14 119.26 120.06 1nmr h ALA 37 Ca 0.41 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1nmr h ALA 37 Cb 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1nmr h ALA 37 CO -0.89 0.96 -0.09 0.82 0.00 0.00 0.00 179.25 180.05 1nmr h ILE 38 N 0.00 0.00 -3.05 0.00 5.03 0.37 -3.44 117.51 116.42 1nmr h ILE 38 Ca -0.01 -0.45 -0.62 0.00 -0.12 0.00 0.00 64.86 63.66 1nmr h ILE 38 Cb 1.40 0.00 -0.41 0.00 -3.03 0.00 0.00 36.82 34.78 1nmr h ILE 38 CO 0.10 0.00 -0.65 0.21 -0.68 0.00 0.00 178.15 177.13 1nmr s ASN 39 N -4.29 4.18 0.45 1.72 3.04 1.07 -4.96 114.94 116.16 1nmr s ASN 39 Ca -0.03 -3.43 0.19 0.00 0.04 0.00 0.00 52.86 49.63 1nmr s ASN 39 Cb 0.00 -1.43 1.15 0.00 -1.54 0.00 0.00 41.25 39.44 1nmr s ASN 39 CO 0.04 -0.15 1.91 -0.65 -3.04 0.00 0.00 177.10 175.21 1nmr h PRO 40 N 5.83 0.31 -1.73 0.43 0.11 -1.56 -1.79 132.00 133.60 1nmr h PRO 40 Ca 0.09 -0.02 -0.55 0.00 0.11 0.00 0.00 66.00 65.63 1nmr h PRO 40 Cb 0.82 -0.07 -0.21 0.00 0.11 0.00 0.00 31.00 31.66 1nmr h PRO 40 CO 0.64 0.20 0.63 0.00 -0.21 0.00 0.00 178.00 179.26 1nmr n ALA 41 N -2.56 6.16 0.00 -0.75 0.00 -1.26 -4.08 120.51 118.02 1nmr n ALA 41 Ca 0.15 -3.04 0.00 0.00 0.00 0.00 0.00 53.44 50.55 1nmr n ALA 41 Cb 0.63 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1nmr n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nmr n ALA 42 N 0.15 0.00 -0.32 0.00 0.00 -0.73 -4.71 120.51 114.90 1nmr n ALA 42 Ca 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.91 1nmr n ALA 42 Cb 0.51 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.99 1nmr n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nmr n ALA 43 N -1.71 -0.11 -0.21 0.00 0.00 -0.85 0.21 120.51 117.84 1nmr n ALA 43 Ca 0.00 0.82 0.18 0.00 0.00 0.00 0.00 53.44 54.44 1nmr n ALA 43 Cb 0.00 -0.36 0.53 0.00 0.00 0.00 0.00 19.45 19.62 1nmr n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nmr h ALA 44 N 1.12 2.22 0.00 0.00 0.00 -1.88 0.82 119.26 121.54 1nmr h ALA 44 Ca 0.28 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.03 1nmr h ALA 44 Cb 0.49 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1nmr h ALA 44 CO -0.82 -0.47 -1.01 0.87 0.00 0.00 0.00 179.25 177.82 1nmr h LYS 45 N 0.38 0.00 0.19 0.00 1.57 0.21 -3.20 116.57 115.72 1nmr h LYS 45 Ca 0.43 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.20 1nmr h LYS 45 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1nmr h LYS 45 CO -0.14 0.83 -0.09 0.28 -0.57 0.00 0.00 179.45 179.75 1nmr h VAL 46 N -1.00 0.86 -0.19 0.50 2.07 0.11 0.76 116.25 119.36 1nmr h VAL 46 Ca -0.26 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1nmr h VAL 46 Cb 1.13 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1nmr h VAL 46 CO -0.16 0.06 0.09 0.74 0.02 0.00 0.00 177.57 178.32 1nmr h THR 47 N -0.38 1.00 0.11 2.57 2.02 0.48 1.18 112.91 119.88 1nmr h THR 47 Ca -0.03 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1nmr h THR 47 Cb 0.30 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1nmr h THR 47 CO 0.04 0.04 -0.05 1.23 0.37 0.00 0.00 175.52 177.15 1nmr h GLY 48 N 0.20 -0.15 0.54 2.16 0.00 -1.54 -3.36 103.07 100.92 1nmr h GLY 48 Ca 0.08 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1nmr h GLY 48 CO -0.05 -0.05 -0.06 -0.33 0.00 0.00 0.00 176.54 176.05 1nmr h MET 49 N -0.84 -0.15 0.00 4.80 2.07 0.50 -3.41 114.93 117.90 1nmr h MET 49 Ca -0.01 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 1nmr h MET 49 Cb 0.57 0.04 0.00 0.00 -1.87 0.00 0.00 31.60 30.33 1nmr h MET 49 CO 0.02 0.26 0.00 -0.11 1.07 0.00 0.00 176.91 178.15 1nmr n LEU 50 N -4.95 0.00 -3.36 1.22 7.94 0.41 -3.39 117.00 114.86 1nmr n LEU 50 Ca -0.09 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.52 1nmr n LEU 50 Cb 0.25 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.15 1nmr n LEU 50 CO 0.31 0.00 1.84 0.18 -1.11 0.00 0.00 177.39 178.61 1nmr n LEU 51 N 0.00 2.90 0.00 -1.96 4.32 -1.26 -3.00 117.00 118.00 1nmr n LEU 51 Ca 0.00 -2.25 -0.09 0.00 -0.02 0.00 0.00 56.01 53.65 1nmr n LEU 51 Cb 0.00 -0.86 0.04 0.00 -1.62 0.00 0.00 43.42 40.98 1nmr n LEU 51 CO 0.00 -0.61 0.21 -0.62 -1.22 0.00 0.00 177.39 175.15 1nmr n GLU 52 N 6.10 0.51 0.31 3.23 1.02 -1.22 -4.87 120.64 125.70 1nmr n GLU 52 Ca 0.38 -1.23 -0.12 0.00 -0.02 0.00 0.00 57.16 56.17 1nmr n GLU 52 Cb 0.26 -0.22 -0.06 0.00 -0.02 0.00 0.00 31.44 31.40 1nmr n GLU 52 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1nmr h MET 53 N 0.00 -0.78 0.00 3.49 2.86 -1.96 -3.21 114.93 115.33 1nmr h MET 53 Ca -0.13 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1nmr h MET 53 Cb 0.53 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1nmr h MET 53 CO 0.16 -0.52 0.00 -3.47 1.06 0.00 0.00 176.91 174.14 1nmr n ASP 54 N -4.97 0.00 -0.48 1.22 -0.08 -1.26 -3.60 116.55 107.38 1nmr n ASP 54 Ca -0.10 0.10 0.43 0.00 -1.51 0.00 0.00 54.79 53.71 1nmr n ASP 54 Cb 0.32 -0.41 0.75 0.00 2.34 0.00 0.00 41.12 44.12 1nmr n ASP 54 CO 0.00 0.00 0.00 -1.13 0.12 0.00 0.00 177.20 176.19 1nmr h ASN 55 N 0.00 0.00 0.36 1.67 -0.00 -1.89 -0.00 115.58 115.72 1nmr h ASN 55 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.28 1nmr h ASN 55 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1nmr h ASN 55 CO 0.00 0.00 -0.17 1.23 -0.00 0.00 0.00 177.43 178.49 1nmr h GLY 56 N 0.00 -0.50 -0.61 1.57 0.00 -1.54 -3.22 103.07 98.77 1nmr h GLY 56 Ca 0.72 0.19 0.09 0.00 0.00 0.00 0.00 47.33 48.33 1nmr h GLY 56 CO -0.01 -0.18 -0.25 1.18 0.00 0.00 0.00 176.54 177.28 1nmr n GLU 57 N -5.09 -0.15 -0.32 4.80 -0.58 -0.02 0.25 120.64 119.53 1nmr n GLU 57 Ca -0.06 0.94 0.01 0.00 -0.42 0.00 0.00 57.16 57.62 1nmr n GLU 57 Cb 0.19 -1.39 0.14 0.00 -0.57 0.00 0.00 31.44 29.81 1nmr n GLU 57 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1nmr h ILE 58 N 0.00 1.06 -1.34 -3.67 1.08 -1.68 -2.17 117.51 110.80 1nmr h ILE 58 Ca 0.20 -0.35 0.46 0.00 -0.39 0.00 0.00 64.86 64.79 1nmr h ILE 58 Cb 0.36 -0.03 -0.13 0.00 -3.07 0.00 0.00 36.82 33.94 1nmr h ILE 58 CO -0.60 0.18 0.87 0.00 -0.69 0.00 0.00 178.15 177.91 1nmr n LEU 59 N -4.60 0.19 -0.17 1.44 -0.00 0.70 0.72 117.00 115.28 1nmr n LEU 59 Ca 0.12 1.29 0.29 0.00 -0.00 0.00 0.00 56.01 57.72 1nmr n LEU 59 Cb 0.17 -0.64 0.63 0.00 -0.00 0.00 0.00 43.42 43.58 1nmr n LEU 59 CO 0.31 -1.40 1.27 -1.13 -0.00 0.00 0.00 177.39 176.44 1nmr h ASN 60 N 0.00 0.00 -2.15 1.45 -1.24 -1.38 -0.63 115.58 111.63 1nmr h ASN 60 Ca 0.84 0.00 -0.67 0.00 0.71 0.00 0.00 56.30 57.18 1nmr h ASN 60 Cb 2.74 0.00 -0.36 0.00 0.73 0.00 0.00 38.32 41.42 1nmr h ASN 60 CO -0.42 0.00 -0.01 0.18 -1.29 0.00 0.00 177.43 175.89 1nmr n LEU 61 N -3.61 5.63 -1.94 0.34 4.77 0.22 -5.02 117.00 117.39 1nmr n LEU 61 Ca 0.20 -5.46 -0.11 0.00 -0.03 0.00 0.00 56.01 50.60 1nmr n LEU 61 Cb 1.22 -0.77 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 1nmr n LEU 61 CO 0.29 2.20 0.91 0.18 -1.33 0.00 0.00 177.39 179.65 1nmr n LEU 62 N -0.25 -0.48 -4.61 2.23 4.77 -0.25 -4.84 117.00 113.57 1nmr n LEU 62 Ca 0.39 -0.17 -0.24 0.00 -0.03 0.00 0.00 56.01 55.96 1nmr n LEU 62 Cb 0.38 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 1nmr n LEU 62 CO 0.41 -0.56 -0.36 -1.81 -1.33 0.00 0.00 177.39 173.74 1nmr s ASP 63 N 0.80 4.38 -0.06 -1.43 1.01 -1.26 -5.02 116.67 115.08 1nmr s ASP 63 Ca 0.57 -0.68 -0.19 0.00 0.71 0.00 0.00 52.55 52.96 1nmr s ASP 63 Cb -0.40 -0.76 -0.14 0.00 1.01 0.00 0.00 42.92 42.63 1nmr s ASP 63 CO 0.24 0.02 0.74 0.74 0.21 0.00 0.00 175.17 177.12 1nmr h THR 64 N 2.07 0.72 0.08 -1.27 2.02 -1.98 -3.18 112.91 111.38 1nmr h THR 64 Ca -0.44 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 65.60 1nmr h THR 64 Cb 1.24 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1nmr h THR 64 CO 0.59 0.20 -0.04 1.55 0.37 0.00 0.00 175.52 178.19 1nmr h PRO 65 N -0.92 -0.11 -0.61 6.66 0.13 -1.97 -2.74 132.00 132.43 1nmr h PRO 65 Ca -0.02 0.01 0.11 0.00 -0.87 0.00 0.00 66.00 65.23 1nmr h PRO 65 Cb 0.49 0.02 -0.12 0.00 0.13 0.00 0.00 31.00 31.53 1nmr h PRO 65 CO 0.04 -0.07 -0.31 0.78 -0.23 0.00 0.00 178.00 178.20 1nmr h GLY 66 N -0.51 -0.02 0.06 1.56 0.00 -1.96 0.73 103.07 102.92 1nmr h GLY 66 Ca -0.01 0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.72 1nmr h GLY 66 CO 0.02 -0.22 -0.03 1.41 0.00 0.00 0.00 176.54 177.72 1nmr h LEU 67 N -0.14 -0.07 -1.44 3.11 -0.00 -1.73 -1.36 115.31 113.69 1nmr h LEU 67 Ca 0.25 0.00 0.38 0.00 -0.00 0.00 0.00 57.88 58.51 1nmr h LEU 67 Cb 0.55 0.02 -0.11 0.00 -0.00 0.00 0.00 40.66 41.11 1nmr h LEU 67 CO -0.69 -0.04 0.81 -0.07 -0.00 0.00 0.00 178.44 178.44 1nmr h LEU 68 N -0.10 0.29 0.62 1.67 4.07 -1.36 1.10 115.31 121.60 1nmr h LEU 68 Ca -0.01 0.11 -0.03 0.00 0.08 0.00 0.00 57.88 58.03 1nmr h LEU 68 Cb 0.06 0.08 0.01 0.00 1.08 0.00 0.00 40.66 41.89 1nmr h LEU 68 CO 0.01 -0.08 -0.30 -0.78 -1.08 0.00 0.00 178.44 176.21 1nmr h ASP 69 N 0.18 -0.71 0.42 -0.43 3.58 0.51 -1.11 116.42 118.87 1nmr h ASP 69 Ca 0.73 0.02 0.00 0.00 0.42 0.00 0.00 57.03 58.21 1nmr h ASP 69 Cb 2.24 0.18 0.00 0.00 1.72 0.00 0.00 39.33 43.47 1nmr h ASP 69 CO -0.35 -0.37 0.00 0.00 -2.88 0.00 0.00 179.24 175.64 1nmr n ALA 70 N -2.63 1.77 -0.07 -0.78 0.00 -0.23 -1.94 120.51 116.63 1nmr n ALA 70 Ca -0.10 -0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.19 1nmr n ALA 70 Cb 0.33 -1.25 -0.06 0.00 0.00 0.00 0.00 19.45 18.47 1nmr n ALA 70 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1nmr h LYS 71 N 0.00 0.00 -0.13 0.00 1.57 0.13 -3.07 116.57 115.08 1nmr h LYS 71 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1nmr h LYS 71 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1nmr h LYS 71 CO 0.00 0.42 -0.10 -0.39 -0.57 0.00 0.00 179.45 178.82 1nmr h VAL 72 N -1.00 1.34 0.51 0.50 -1.51 -1.17 -1.56 116.25 113.35 1nmr h VAL 72 Ca -0.05 -1.20 -0.02 0.00 -1.23 0.00 0.00 66.70 64.19 1nmr h VAL 72 Cb 0.57 1.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 1nmr h VAL 72 CO -0.03 0.35 -0.24 1.56 -1.23 0.00 0.00 177.57 177.97 1nmr h GLN 73 N -0.08 -0.66 -0.96 5.19 1.08 -1.60 1.01 115.11 119.10 1nmr h GLN 73 Ca 0.02 0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.31 1nmr h GLN 73 Cb 0.60 0.15 -0.06 0.00 -0.05 0.00 0.00 27.48 28.12 1nmr h GLN 73 CO 0.03 -0.38 0.63 1.49 -0.95 0.00 0.00 178.83 179.64 1nmr h GLU 74 N -0.81 1.17 -0.05 1.46 4.22 -1.64 0.34 114.58 119.28 1nmr h GLU 74 Ca -0.07 -0.07 -0.14 0.00 0.08 0.00 0.00 59.36 59.16 1nmr h GLU 74 Cb 0.58 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 29.57 1nmr h GLU 74 CO 0.11 0.77 -0.54 0.00 -2.18 0.00 0.00 179.01 177.18 1nmr h ALA 75 N 1.44 0.13 0.00 2.92 0.00 -1.16 -0.33 119.26 122.26 1nmr h ALA 75 Ca 0.38 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1nmr h ALA 75 Cb 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1nmr h ALA 75 CO -0.12 0.35 -0.29 -0.07 0.00 0.00 0.00 179.25 179.12 1nmr h LEU 76 N -0.02 0.00 0.02 0.00 3.38 0.13 1.23 115.31 120.05 1nmr h LEU 76 Ca -0.05 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.65 1nmr h LEU 76 Cb 1.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1nmr h LEU 76 CO 0.11 0.29 -1.42 -0.08 0.09 0.00 0.00 178.44 177.42 1nmr h GLU 77 N 0.00 0.05 0.10 1.13 4.57 -0.33 -3.37 114.58 116.72 1nmr h GLU 77 Ca -0.00 -0.08 -0.36 0.00 -1.18 0.00 0.00 59.36 57.73 1nmr h GLU 77 Cb 0.74 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.33 1nmr h GLU 77 CO 0.04 0.80 -2.05 1.55 -1.18 0.00 0.00 179.01 178.17 1nmr n VAL 78 N -3.24 1.72 -4.84 0.32 3.14 -0.14 -5.05 118.33 110.24 1nmr n VAL 78 Ca -0.11 -0.60 0.00 0.00 -2.96 0.00 0.00 64.34 60.67 1nmr n VAL 78 Cb 1.01 -1.70 0.00 0.00 -1.06 0.00 0.00 33.84 32.09 1nmr n VAL 78 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1nmr n LEU 79 N -3.51 0.00 0.00 6.55 7.99 0.42 -2.32 117.00 126.13 1nmr n LEU 79 Ca -0.35 0.00 0.01 0.00 -0.01 0.00 0.00 56.01 55.67 1nmr n LEU 79 Cb 1.01 0.00 0.09 0.00 -0.11 0.00 0.00 43.42 44.41 1nmr n LEU 79 CO 0.38 -0.73 0.30 -3.20 -1.51 0.00 0.00 177.39 172.64 1nmr n ASN 80 N -3.03 0.00 -0.62 -1.43 4.05 -1.26 -3.63 115.26 109.33 1nmr n ASN 80 Ca 0.00 -0.78 0.00 0.00 0.45 0.00 0.00 54.58 54.25 1nmr n ASN 80 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1nmr n ASN 80 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1nmr n ARG 81 N -0.60 0.60 -2.40 1.20 5.12 -0.98 -4.73 116.66 114.86 1nmr n ARG 81 Ca 0.02 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.53 1nmr n ARG 81 Cb 0.01 -1.28 -0.03 0.00 -1.16 0.00 0.00 32.46 30.01 1nmr n ARG 81 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1nmr s HIS 82 N -0.66 2.18 0.08 -1.55 3.76 -1.24 -4.44 115.29 113.43 1nmr s HIS 82 Ca 0.00 0.32 0.00 0.00 -0.15 0.00 0.00 55.06 55.23 1nmr s HIS 82 Cb 0.00 -4.43 0.00 0.00 1.11 0.00 0.00 32.58 29.26 1nmr s HIS 82 CO 0.00 -2.06 0.00 -0.12 -0.85 0.00 0.00 174.74 171.71 1nmr n MET 83 N 9.02 0.00 -2.73 1.40 0.00 -1.26 -5.00 117.12 118.56 1nmr n MET 83 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.49 1nmr n MET 83 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.70 1nmr n MET 83 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1nmr n ASN 84 N -2.59 5.46 0.00 6.12 3.02 -1.26 -5.33 115.26 120.69 1nmr n ASN 84 Ca 0.00 -3.70 0.00 0.00 -0.03 0.00 0.00 54.58 50.85 1nmr n ASN 84 Cb 0.00 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.44 1nmr n ASN 84 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19