#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 -5.41 -0.02 1.61 2.88 -1.26 -4.31 113.62 107.11 1nmr n SER 2 Ca 0.00 0.58 0.15 0.00 -1.33 0.00 0.00 58.87 58.27 1nmr n SER 2 Cb 0.00 -2.88 0.74 0.00 -0.75 0.00 0.00 64.21 61.33 1nmr n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1nmr n SER 3 N -3.50 0.09 -4.62 -3.46 3.41 -1.26 -4.75 113.62 99.53 1nmr n SER 3 Ca -0.02 -0.28 -0.42 0.00 -0.26 0.00 0.00 58.87 57.89 1nmr n SER 3 Cb 0.42 -0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 1nmr n SER 3 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1nmr s LEU 4 N -2.52 4.05 0.00 1.04 0.05 -1.26 -4.98 118.68 115.05 1nmr s LEU 4 Ca 0.30 0.74 0.00 0.00 0.05 0.00 0.00 54.13 55.22 1nmr s LEU 4 Cb 0.20 -3.21 0.00 0.00 -2.05 0.00 0.00 46.19 41.13 1nmr s LEU 4 CO 0.46 -0.71 0.46 0.00 -0.55 0.00 0.00 176.35 176.01 1nmr n ALA 5 N 6.43 -0.01 -3.42 1.48 0.00 -1.26 -4.64 120.51 119.10 1nmr n ALA 5 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.13 1nmr n ALA 5 Cb 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.81 1nmr n ALA 5 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1nmr s SER 6 N -1.91 5.31 -0.29 0.00 0.01 -1.26 -5.07 113.70 110.50 1nmr s SER 6 Ca 0.00 -1.43 -0.29 0.00 1.31 0.00 0.00 55.95 55.54 1nmr s SER 6 Cb 0.00 -1.86 0.01 0.00 0.21 0.00 0.00 66.02 64.37 1nmr s SER 6 CO 0.00 -0.41 1.19 -1.58 0.41 0.00 0.00 173.24 172.85 1nmr s GLN 7 N 1.33 4.04 0.09 12.44 2.00 -1.26 -4.90 119.66 133.40 1nmr s GLN 7 Ca 0.01 1.24 -0.05 0.00 -2.00 0.00 0.00 55.36 54.56 1nmr s GLN 7 Cb -0.21 -3.79 -0.22 0.00 0.80 0.00 0.00 33.01 29.59 1nmr s GLN 7 CO 0.01 -0.94 1.19 0.78 -0.50 0.00 0.00 175.29 175.82 1nmr h GLY 8 N 10.31 0.37 2.00 2.59 0.00 -2.01 -3.21 103.07 113.12 1nmr h GLY 8 Ca -0.23 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.27 1nmr h GLY 8 CO 1.02 0.73 0.00 1.46 0.00 0.00 0.00 176.54 179.75 1nmr h GLN 9 N 0.13 0.00 0.00 4.80 4.20 -1.98 -2.85 115.11 119.40 1nmr h GLN 9 Ca -0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1nmr h GLN 9 Cb 1.85 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.63 1nmr h GLN 9 CO 0.19 0.00 0.00 -1.71 -0.67 0.00 0.00 178.83 176.64 1nmr n ASN 10 N -2.89 0.00 -0.19 1.46 5.15 -1.21 -2.67 115.26 114.92 1nmr n ASN 10 Ca 0.02 0.20 0.30 0.00 -0.60 0.00 0.00 54.58 54.50 1nmr n ASN 10 Cb 0.33 0.00 0.69 0.00 -0.53 0.00 0.00 39.78 40.27 1nmr n ASN 10 CO 0.00 0.00 0.00 0.17 1.40 0.00 0.00 177.26 178.83 1nmr h LEU 11 N 0.00 0.00 -0.43 1.20 -0.00 -1.71 0.36 115.31 114.73 1nmr h LEU 11 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1nmr h LEU 11 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.64 1nmr h LEU 11 CO 0.00 0.00 0.25 -1.28 -0.00 0.00 0.00 178.44 177.41 1nmr h SER 12 N 0.00 0.52 -0.22 0.17 0.87 -1.59 -1.83 113.55 111.48 1nmr h SER 12 Ca 0.45 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 1nmr h SER 12 Cb 2.10 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.93 1nmr h SER 12 CO -0.00 0.43 0.00 0.41 -0.53 0.00 0.00 176.83 177.13 1nmr n THR 13 N -4.74 0.28 -0.08 2.23 -1.04 0.12 -4.01 114.28 107.05 1nmr n THR 13 Ca 0.01 -0.36 -0.23 0.00 -2.04 0.00 0.00 64.05 61.43 1nmr n THR 13 Cb 0.06 0.27 -0.12 0.00 -1.82 0.00 0.00 70.33 68.72 1nmr n THR 13 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1nmr n VAL 14 N 0.30 1.60 0.59 12.58 0.31 -0.72 -4.21 118.33 128.79 1nmr n VAL 14 Ca 0.14 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1nmr n VAL 14 Cb 0.29 -1.84 0.08 0.00 -0.91 0.00 0.00 33.84 31.46 1nmr n VAL 14 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1nmr n LEU 15 N -3.96 2.35 -4.36 7.52 7.94 -0.99 -4.74 117.00 120.75 1nmr n LEU 15 Ca -0.39 -1.19 -0.34 0.00 -1.11 0.00 0.00 56.01 52.99 1nmr n LEU 15 Cb 0.87 -0.55 -0.05 0.00 0.53 0.00 0.00 43.42 44.23 1nmr n LEU 15 CO 0.24 0.39 1.73 0.00 -1.11 0.00 0.00 177.39 178.63 1nmr n ALA 16 N 0.14 2.46 -0.23 1.96 0.00 -1.26 -4.36 120.51 119.21 1nmr n ALA 16 Ca 0.07 -3.22 0.00 0.00 0.00 0.00 0.00 53.44 50.30 1nmr n ALA 16 Cb 0.51 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.43 1nmr n ALA 16 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1nmr n ASN 17 N 11.97 0.00 -3.48 0.00 4.13 -1.26 -4.98 115.26 121.64 1nmr n ASN 17 Ca 0.47 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 56.46 1nmr n ASN 17 Cb 0.45 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.60 1nmr n ASN 17 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1nmr n LEU 18 N -2.15 2.63 -0.08 3.41 4.32 -1.26 -4.92 117.00 118.95 1nmr n LEU 18 Ca 0.00 -5.18 -0.07 0.00 -0.02 0.00 0.00 56.01 50.74 1nmr n LEU 18 Cb 0.00 -0.36 -0.03 0.00 -1.62 0.00 0.00 43.42 41.42 1nmr n LEU 18 CO 0.00 1.98 -0.41 0.41 -1.22 0.00 0.00 177.39 178.15 1nmr n THR 19 N 1.34 1.44 0.22 -5.08 -1.04 -1.26 -3.16 114.28 106.74 1nmr n THR 19 Ca 0.26 0.18 0.09 0.00 -2.04 0.00 0.00 64.05 62.54 1nmr n THR 19 Cb 0.42 -2.35 0.48 0.00 -1.82 0.00 0.00 70.33 67.07 1nmr n THR 19 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1nmr h PRO 20 N -1.00 0.00 0.08 -2.82 0.13 -1.98 0.13 132.00 126.55 1nmr h PRO 20 Ca -0.05 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.97 1nmr h PRO 20 Cb 0.65 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.80 1nmr h PRO 20 CO -0.03 0.24 -0.49 0.93 -0.23 0.00 0.00 178.00 178.42 1nmr h GLU 21 N 0.00 0.18 0.14 0.86 5.08 -1.94 -3.07 114.58 115.83 1nmr h GLU 21 Ca -0.00 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1nmr h GLU 21 Cb 0.70 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1nmr h GLU 21 CO 0.03 1.15 -0.07 1.96 -1.00 0.00 0.00 179.01 181.08 1nmr h GLN 22 N -0.63 -0.18 -1.01 2.33 1.08 -1.52 -2.85 115.11 112.33 1nmr h GLN 22 Ca -0.09 0.01 0.26 0.00 -1.45 0.00 0.00 58.65 57.39 1nmr h GLN 22 Cb 1.38 0.04 -0.13 0.00 -0.05 0.00 0.00 27.48 28.73 1nmr h GLN 22 CO 0.09 0.23 0.59 0.37 -0.95 0.00 0.00 178.83 179.16 1nmr h GLN 23 N -0.92 0.51 -0.26 1.46 4.15 -0.93 0.40 115.11 119.52 1nmr h GLN 23 Ca -0.02 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.26 1nmr h GLN 23 Cb 0.50 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1nmr h GLN 23 CO 0.03 0.34 -0.30 0.87 -1.93 0.00 0.00 178.83 177.84 1nmr h LYS 24 N 0.53 0.53 0.38 1.69 1.79 -1.59 -2.98 116.57 116.91 1nmr h LYS 24 Ca 0.66 -0.22 -0.01 0.00 -2.18 0.00 0.00 60.65 58.90 1nmr h LYS 24 Cb 1.32 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.95 1nmr h LYS 24 CO -0.50 0.77 -0.25 -0.91 -1.08 0.00 0.00 179.45 177.48 1nmr h ASN 25 N 0.45 -0.65 -0.84 0.86 2.35 0.05 -2.65 115.58 115.16 1nmr h ASN 25 Ca 0.06 0.04 0.06 0.00 -0.55 0.00 0.00 56.30 55.91 1nmr h ASN 25 Cb 0.75 0.20 -0.05 0.00 0.05 0.00 0.00 38.32 39.27 1nmr h ASN 25 CO 0.06 -0.40 0.55 1.62 -1.65 0.00 0.00 177.43 177.61 1nmr h VAL 26 N -0.62 1.06 -0.64 2.81 3.04 -1.51 -2.22 116.25 118.17 1nmr h VAL 26 Ca -0.04 -0.32 0.11 0.00 -1.01 0.00 0.00 66.70 65.44 1nmr h VAL 26 Cb 0.52 0.04 -0.08 0.00 -2.01 0.00 0.00 31.29 29.76 1nmr h VAL 26 CO 0.03 0.17 0.21 -0.07 -1.01 0.00 0.00 177.57 176.90 1nmr h LEU 27 N 0.94 0.16 -0.73 3.16 3.38 -1.32 -1.43 115.31 119.47 1nmr h LEU 27 Ca 0.36 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.42 1nmr h LEU 27 Cb 0.20 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1nmr h LEU 27 CO -0.13 0.08 0.44 1.23 0.09 0.00 0.00 178.44 180.16 1nmr h GLY 28 N 0.36 1.06 0.97 0.83 0.00 -1.21 0.17 103.07 105.26 1nmr h GLY 28 Ca 0.34 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1nmr h GLY 28 CO -0.36 0.43 -0.18 0.83 0.00 0.00 0.00 176.54 177.25 1nmr h GLU 29 N 1.00 -0.47 0.00 4.80 5.08 -1.25 -1.36 114.58 122.38 1nmr h GLU 29 Ca 0.26 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1nmr h GLU 29 Cb -0.04 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1nmr h GLU 29 CO -0.05 -0.31 0.00 0.54 -1.00 0.00 0.00 179.01 178.19 1nmr n ARG 30 N -5.31 0.13 0.08 2.33 1.74 -0.66 -3.31 116.66 111.67 1nmr n ARG 30 Ca -0.10 0.40 -0.05 0.00 -0.77 0.00 0.00 57.85 57.33 1nmr n ARG 30 Cb 0.22 -1.77 -0.02 0.00 -1.02 0.00 0.00 32.46 29.87 1nmr n ARG 30 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1nmr h LEU 31 N 0.00 -0.25 -1.62 0.55 5.85 0.42 -3.12 115.31 117.13 1nmr h LEU 31 Ca 0.00 0.01 0.24 0.00 0.84 0.00 0.00 57.88 58.97 1nmr h LEU 31 Cb 0.29 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 1nmr h LEU 31 CO 0.00 0.18 0.65 0.22 -0.34 0.00 0.00 178.44 179.15 1nmr h TYR 32 N -1.01 0.40 -0.32 1.25 5.03 -1.37 0.37 116.97 121.32 1nmr h TYR 32 Ca -0.03 0.01 -0.14 0.00 2.58 0.00 0.00 58.73 61.15 1nmr h TYR 32 Cb 0.23 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.38 1nmr h TYR 32 CO 0.00 0.08 -0.37 -0.97 -1.32 0.00 0.00 178.16 175.58 1nmr h ASN 33 N 0.28 0.79 -0.80 -2.11 -1.24 -1.65 1.40 115.58 112.25 1nmr h ASN 33 Ca 0.50 -0.35 -0.04 0.00 0.71 0.00 0.00 56.30 57.12 1nmr h ASN 33 Cb 1.47 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 40.27 1nmr h ASN 33 CO -0.15 1.08 0.34 1.12 -1.29 0.00 0.00 177.43 178.52 1nmr h HIS 34 N 0.62 1.20 0.02 0.67 2.07 -0.86 -3.28 115.15 115.59 1nmr h HIS 34 Ca 0.06 -0.08 -0.36 0.00 -2.85 0.00 0.00 60.37 57.14 1nmr h HIS 34 Cb 0.91 -0.36 -0.06 0.00 2.57 0.00 0.00 27.41 30.47 1nmr h HIS 34 CO 0.05 0.89 -2.18 1.51 -3.07 0.00 0.00 177.93 175.13 1nmr n ILE 35 N -4.30 1.54 -0.26 6.12 3.06 -1.09 -4.01 119.36 120.42 1nmr n ILE 35 Ca 0.07 -0.73 0.06 0.00 -2.50 0.00 0.00 62.75 59.65 1nmr n ILE 35 Cb 0.17 -1.07 0.17 0.00 0.54 0.00 0.00 39.64 39.45 1nmr n ILE 35 CO 0.00 0.00 0.00 1.62 -2.50 0.00 0.00 176.55 175.67 1nmr h VAL 36 N 0.01 0.33 0.00 9.51 3.04 0.19 3.28 116.25 132.61 1nmr h VAL 36 Ca -0.47 -0.04 -0.10 0.00 -1.01 0.00 0.00 66.70 65.08 1nmr h VAL 36 Cb 2.07 0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 31.54 1nmr h VAL 36 CO 0.02 0.02 -0.47 0.00 -1.01 0.00 0.00 177.57 176.13 1nmr h ALA 37 N 1.72 0.96 0.00 3.17 0.00 -1.77 -2.92 119.26 120.42 1nmr h ALA 37 Ca 0.43 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nmr h ALA 37 Cb 0.76 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1nmr h ALA 37 CO -0.68 0.59 -0.37 -0.89 0.00 0.00 0.00 179.25 177.90 1nmr n ILE 38 N -3.60 0.91 -3.61 0.00 2.08 0.24 -4.79 119.36 110.59 1nmr n ILE 38 Ca -0.00 0.31 -0.27 0.00 0.56 0.00 0.00 62.75 63.35 1nmr n ILE 38 Cb 0.56 -2.06 -0.10 0.00 -0.75 0.00 0.00 39.64 37.29 1nmr n ILE 38 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1nmr n ASN 39 N -3.75 3.02 -0.32 4.38 5.15 1.03 -4.94 115.26 119.83 1nmr n ASN 39 Ca -0.05 -3.25 0.12 0.00 -0.60 0.00 0.00 54.58 50.80 1nmr n ASN 39 Cb 0.19 -0.70 0.30 0.00 -0.53 0.00 0.00 39.78 39.04 1nmr n ASN 39 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1nmr h PRO 40 N 4.74 0.53 -1.98 1.20 0.11 -1.44 -1.52 132.00 133.65 1nmr h PRO 40 Ca 0.17 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.13 1nmr h PRO 40 Cb 0.72 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 31.67 1nmr h PRO 40 CO 0.74 0.35 -0.17 0.00 -0.21 0.00 0.00 178.00 178.72 1nmr n ALA 41 N -2.42 5.31 0.00 -0.75 0.00 -1.26 -3.41 120.51 117.98 1nmr n ALA 41 Ca 0.21 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.58 1nmr n ALA 41 Cb 0.59 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 1.94 0.03 -0.32 0.00 0.00 -0.60 -4.81 120.51 116.75 1nmr n ALA 42 Ca 0.24 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.70 1nmr n ALA 42 Cb 0.71 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.23 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 -1.62 0.03 -0.34 0.00 0.00 -1.02 0.17 120.51 117.73 1nmr n ALA 43 Ca 0.00 0.88 0.14 0.00 0.00 0.00 0.00 53.44 54.47 1nmr n ALA 43 Cb 0.00 -0.45 0.34 0.00 0.00 0.00 0.00 19.45 19.33 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 1.39 1.65 0.07 0.00 0.00 -1.90 1.03 119.26 121.50 1nmr h ALA 44 Ca 0.34 0.11 -0.22 0.00 0.00 0.00 0.00 54.91 55.15 1nmr h ALA 44 Cb 0.55 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1nmr h ALA 44 CO -0.85 -0.20 -1.14 0.87 0.00 0.00 0.00 179.25 177.93 1nmr h LYS 45 N 0.61 0.15 0.54 0.00 1.79 0.13 -3.04 116.57 116.74 1nmr h LYS 45 Ca 0.60 -0.25 -0.03 0.00 -2.18 0.00 0.00 60.65 58.79 1nmr h LYS 45 Cb 1.05 0.09 0.01 0.00 -1.58 0.00 0.00 32.23 31.80 1nmr h LYS 45 CO -0.45 1.12 -0.26 0.28 -1.08 0.00 0.00 179.45 179.07 1nmr h VAL 46 N -0.58 0.47 0.18 0.50 2.07 0.14 0.51 116.25 119.55 1nmr h VAL 46 Ca -0.26 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1nmr h VAL 46 Cb 1.53 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1nmr h VAL 46 CO -0.01 0.00 -0.09 0.74 0.02 0.00 0.00 177.57 178.23 1nmr h THR 47 N -0.73 0.82 0.27 2.57 2.02 0.90 1.56 112.91 120.32 1nmr h THR 47 Ca -0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1nmr h THR 47 Cb 0.56 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1nmr h THR 47 CO 0.12 0.00 -0.13 1.23 0.37 0.00 0.00 175.52 177.11 1nmr h GLY 48 N -0.25 -0.38 0.66 2.16 0.00 -1.54 -3.32 103.07 100.40 1nmr h GLY 48 Ca -0.02 0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1nmr h GLY 48 CO 0.04 -0.14 -0.02 -0.33 0.00 0.00 0.00 176.54 176.09 1nmr h MET 49 N -0.81 0.11 0.00 4.80 2.07 -0.04 -3.41 114.93 117.66 1nmr h MET 49 Ca -0.04 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.55 1nmr h MET 49 Cb 0.51 -0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.24 1nmr h MET 49 CO 0.06 0.47 0.00 -0.11 1.07 0.00 0.00 176.91 178.40 1nmr n LEU 50 N -4.82 0.00 -3.91 1.22 7.94 0.53 -3.48 117.00 114.49 1nmr n LEU 50 Ca -0.07 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.46 1nmr n LEU 50 Cb 0.23 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.10 1nmr n LEU 50 CO 0.35 0.00 1.70 0.18 -1.11 0.00 0.00 177.39 178.50 1nmr n LEU 51 N 0.00 2.74 -5.01 -1.96 4.77 -1.26 -3.70 117.00 112.58 1nmr n LEU 51 Ca 0.00 -2.54 -0.17 0.00 -0.03 0.00 0.00 56.01 53.26 1nmr n LEU 51 Cb 0.00 -1.16 0.01 0.00 -2.33 0.00 0.00 43.42 39.94 1nmr n LEU 51 CO 0.00 -1.49 0.17 -1.61 -1.33 0.00 0.00 177.39 173.12 1nmr s GLU 52 N 6.25 2.80 0.08 3.23 0.41 -1.23 -4.87 118.70 125.38 1nmr s GLU 52 Ca 0.66 -1.22 -0.33 0.00 -0.41 0.00 0.00 54.97 53.67 1nmr s GLU 52 Cb 0.09 -2.74 -0.15 0.00 -1.78 0.00 0.00 34.13 29.55 1nmr s GLU 52 CO 0.19 -0.31 1.51 0.52 -0.49 0.00 0.00 175.26 176.68 1nmr h MET 53 N 0.59 -0.84 0.00 1.61 2.86 -1.95 -2.32 114.93 114.88 1nmr h MET 53 Ca -0.40 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 1nmr h MET 53 Cb 1.28 0.19 0.00 0.00 0.06 0.00 0.00 31.60 33.13 1nmr h MET 53 CO 0.45 -0.56 0.00 -3.47 1.06 0.00 0.00 176.91 174.39 1nmr n ASP 54 N -5.25 0.00 -0.55 1.22 2.03 -1.26 -3.73 116.55 109.00 1nmr n ASP 54 Ca -0.10 0.13 0.46 0.00 0.52 0.00 0.00 54.79 55.80 1nmr n ASP 54 Cb 0.41 -0.42 0.79 0.00 -0.72 0.00 0.00 41.12 41.19 1nmr n ASP 54 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1nmr h ASN 55 N 0.00 0.00 0.54 1.67 -1.24 -1.91 0.17 115.58 114.81 1nmr h ASN 55 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 1nmr h ASN 55 Cb 0.00 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.06 1nmr h ASN 55 CO 0.00 0.00 -0.26 1.23 -1.29 0.00 0.00 177.43 177.11 1nmr h GLY 56 N 0.00 -0.75 -0.64 1.57 0.00 -1.49 -3.16 103.07 98.60 1nmr h GLY 56 Ca 0.79 0.28 0.09 0.00 0.00 0.00 0.00 47.33 48.49 1nmr h GLY 56 CO -0.01 -0.27 -0.27 1.18 0.00 0.00 0.00 176.54 177.17 1nmr n GLU 57 N -5.26 -0.17 -0.25 4.80 -0.58 0.05 0.22 120.64 119.45 1nmr n GLU 57 Ca -0.09 0.98 -0.01 0.00 -0.42 0.00 0.00 57.16 57.62 1nmr n GLU 57 Cb 0.30 -1.45 0.11 0.00 -0.57 0.00 0.00 31.44 29.83 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 0.97 -1.22 -3.67 2.04 -1.65 -2.27 117.51 111.71 1nmr h ILE 58 Ca 0.20 -0.25 0.42 0.00 1.00 0.00 0.00 64.86 66.23 1nmr h ILE 58 Cb 0.36 0.18 -0.12 0.00 -0.74 0.00 0.00 36.82 36.50 1nmr h ILE 58 CO -0.63 0.13 0.79 0.00 0.00 0.00 0.00 178.15 178.45 1nmr n LEU 59 N -4.76 0.17 0.02 1.44 -0.00 0.59 0.11 117.00 114.57 1nmr n LEU 59 Ca 0.09 1.17 0.22 0.00 -0.00 0.00 0.00 56.01 57.49 1nmr n LEU 59 Cb 0.18 -0.57 0.64 0.00 -0.00 0.00 0.00 43.42 43.67 1nmr n LEU 59 CO 0.29 -1.26 1.20 -1.13 -0.00 0.00 0.00 177.39 176.49 1nmr h ASN 60 N 0.00 0.00 -1.62 1.45 -1.24 -1.40 0.03 115.58 112.80 1nmr h ASN 60 Ca 0.76 0.00 -0.62 0.00 0.71 0.00 0.00 56.30 57.15 1nmr h ASN 60 Cb 2.49 0.00 -0.40 0.00 0.73 0.00 0.00 38.32 41.14 1nmr h ASN 60 CO -0.37 0.00 -0.46 0.18 -1.29 0.00 0.00 177.43 175.49 1nmr n LEU 61 N -3.46 5.12 -1.92 0.34 4.77 0.30 -5.03 117.00 117.12 1nmr n LEU 61 Ca 0.11 -5.18 -0.08 0.00 -0.03 0.00 0.00 56.01 50.84 1nmr n LEU 61 Cb 0.90 -0.55 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 1nmr n LEU 61 CO 0.24 2.17 0.81 0.18 -1.33 0.00 0.00 177.39 179.47 1nmr n LEU 62 N -0.48 -0.70 -4.92 2.23 4.77 -0.01 -4.84 117.00 113.06 1nmr n LEU 62 Ca 0.41 -0.32 -0.20 0.00 -0.03 0.00 0.00 56.01 55.87 1nmr n LEU 62 Cb 0.59 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.42 1nmr n LEU 62 CO 0.36 -0.65 0.03 -0.62 -1.33 0.00 0.00 177.39 175.18 1nmr s ASP 63 N 0.00 5.36 -0.07 -1.43 2.15 -1.26 -4.99 116.67 116.43 1nmr s ASP 63 Ca 0.45 -0.55 -0.23 0.00 0.43 0.00 0.00 52.55 52.65 1nmr s ASP 63 Cb -0.29 -0.75 -0.18 0.00 -0.30 0.00 0.00 42.92 41.39 1nmr s ASP 63 CO 0.20 -0.59 0.89 0.74 -0.17 0.00 0.00 175.17 176.24 1nmr h THR 64 N 0.96 1.15 0.10 1.71 2.02 -1.98 -3.14 112.91 113.73 1nmr h THR 64 Ca -0.42 -1.42 -0.00 0.00 0.77 0.00 0.00 66.41 65.34 1nmr h THR 64 Cb 1.27 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.67 1nmr h THR 64 CO 0.54 0.32 -0.05 1.55 0.37 0.00 0.00 175.52 178.25 1nmr h PRO 65 N -0.82 -0.12 -0.42 6.66 0.13 -1.97 -2.97 132.00 132.49 1nmr h PRO 65 Ca -0.01 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.19 1nmr h PRO 65 Cb 0.60 0.03 -0.09 0.00 0.13 0.00 0.00 31.00 31.67 1nmr h PRO 65 CO 0.02 -0.08 -0.51 0.78 -0.23 0.00 0.00 178.00 177.97 1nmr h GLY 66 N -0.55 -0.84 0.00 1.56 0.00 -1.96 0.36 103.07 101.63 1nmr h GLY 66 Ca -0.01 0.66 0.00 0.00 0.00 0.00 0.00 47.33 47.98 1nmr h GLY 66 CO 0.02 -0.14 0.00 -0.10 0.00 0.00 0.00 176.54 176.32 1nmr n LEU 67 N -5.39 0.00 -0.46 3.11 -0.00 -1.19 0.55 117.00 113.62 1nmr n LEU 67 Ca -0.02 0.96 0.41 0.00 -0.00 0.00 0.00 56.01 57.36 1nmr n LEU 67 Cb 0.35 -0.46 0.76 0.00 -0.00 0.00 0.00 43.42 44.06 1nmr n LEU 67 CO 0.01 -0.46 1.37 -0.07 -0.00 0.00 0.00 177.39 178.24 1nmr h LEU 68 N 0.00 0.04 0.10 -1.96 4.07 -1.48 0.78 115.31 116.86 1nmr h LEU 68 Ca 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 1nmr h LEU 68 Cb 0.00 0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.75 1nmr h LEU 68 CO 0.00 -0.01 -0.05 -0.78 -1.08 0.00 0.00 178.44 176.52 1nmr h ASP 69 N 0.03 -0.12 0.19 -0.43 3.58 -0.03 -3.21 116.42 116.44 1nmr h ASP 69 Ca 0.71 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.98 1nmr h ASP 69 Cb 2.76 0.03 0.00 0.00 1.72 0.00 0.00 39.33 43.84 1nmr h ASP 69 CO -0.06 0.45 0.00 0.00 -2.88 0.00 0.00 179.24 176.75 1nmr n ALA 70 N -2.72 1.74 -0.07 -0.78 0.00 0.19 -2.70 120.51 116.17 1nmr n ALA 70 Ca -0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.26 1nmr n ALA 70 Cb 0.14 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.39 0.00 1.79 0.41 -3.13 116.57 115.25 1nmr h LYS 71 Ca 0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1nmr h LYS 71 Cb 0.09 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 1nmr h LYS 71 CO 0.00 0.47 0.08 -0.39 -1.08 0.00 0.00 179.45 178.53 1nmr h VAL 72 N -1.00 1.23 0.44 0.50 -1.51 -1.54 -0.37 116.25 114.00 1nmr h VAL 72 Ca -0.06 -0.82 -0.02 0.00 -1.23 0.00 0.00 66.70 64.57 1nmr h VAL 72 Cb 0.62 1.01 -0.00 0.00 -2.13 0.00 0.00 31.29 30.80 1nmr h VAL 72 CO -0.04 0.28 -0.24 1.56 -1.23 0.00 0.00 177.57 177.90 1nmr h GLN 73 N 0.49 -0.62 -0.52 5.19 1.08 -1.70 0.65 115.11 119.69 1nmr h GLN 73 Ca 0.12 0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 1nmr h GLN 73 Cb 0.34 0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 1nmr h GLN 73 CO 0.00 -0.41 0.28 1.49 -0.95 0.00 0.00 178.83 179.25 1nmr h GLU 74 N -0.64 0.71 0.13 1.46 4.22 -1.54 0.31 114.58 119.22 1nmr h GLU 74 Ca -0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 59.36 59.31 1nmr h GLU 74 Cb 0.51 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1nmr h GLU 74 CO 0.07 0.52 -0.06 0.00 -2.18 0.00 0.00 179.01 177.36 1nmr h ALA 75 N 1.60 -0.18 0.00 2.92 0.00 -0.70 0.24 119.26 123.14 1nmr h ALA 75 Ca 0.18 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1nmr h ALA 75 Cb 0.02 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1nmr h ALA 75 CO -0.03 -0.25 -0.15 -0.07 0.00 0.00 0.00 179.25 178.75 1nmr h LEU 76 N -0.88 0.00 0.04 0.00 3.38 0.36 -1.27 115.31 116.94 1nmr h LEU 76 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1nmr h LEU 76 Cb 0.53 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.29 1nmr h LEU 76 CO 0.03 0.15 -0.41 -0.08 0.09 0.00 0.00 178.44 178.23 1nmr h GLU 77 N 0.00 0.21 0.00 1.13 4.57 -0.42 -3.23 114.58 116.84 1nmr h GLU 77 Ca -0.00 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1nmr h GLU 77 Cb 0.34 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1nmr h GLU 77 CO 0.02 1.05 0.00 1.55 -1.18 0.00 0.00 179.01 180.45 1nmr n VAL 78 N -4.38 0.95 0.04 0.32 3.14 0.07 -2.89 118.33 115.57 1nmr n VAL 78 Ca -0.11 0.32 -0.02 0.00 -2.96 0.00 0.00 64.34 61.58 1nmr n VAL 78 Cb 0.61 -1.24 -0.01 0.00 -1.06 0.00 0.00 33.84 32.15 1nmr n VAL 78 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 1nmr h LEU 79 N 0.00 -0.09 -0.05 6.55 6.46 -1.25 -3.09 115.31 123.84 1nmr h LEU 79 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1nmr h LEU 79 Cb 0.27 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.22 1nmr h LEU 79 CO 0.00 -0.06 0.00 -3.20 -0.62 0.00 0.00 178.44 174.56 1nmr n ASN 80 N -2.33 0.04 -0.45 1.25 5.15 -1.23 -3.81 115.26 113.88 1nmr n ASN 80 Ca -0.01 -1.71 0.00 0.00 -0.60 0.00 0.00 54.58 52.25 1nmr n ASN 80 Cb 0.04 -0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.27 1nmr n ASN 80 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1nmr n ARG 81 N -0.47 0.70 -2.10 1.20 5.12 -1.14 -4.63 116.66 115.34 1nmr n ARG 81 Ca 0.00 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.56 1nmr n ARG 81 Cb 0.01 -1.31 -0.04 0.00 -1.16 0.00 0.00 32.46 29.96 1nmr n ARG 81 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1nmr n HIS 82 N 0.08 3.32 -0.00 -1.55 8.25 -1.25 -4.65 115.22 119.42 1nmr n HIS 82 Ca 0.00 -2.06 -0.00 0.00 -0.26 0.00 0.00 57.72 55.40 1nmr n HIS 82 Cb 0.16 -2.52 -0.00 0.00 1.12 0.00 0.00 29.99 28.75 1nmr n HIS 82 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1nmr n MET 83 N 8.01 0.01 -0.08 -0.41 2.81 -1.26 -4.90 117.12 121.30 1nmr n MET 83 Ca 0.47 0.13 -0.07 0.00 -1.81 0.00 0.00 57.70 56.42 1nmr n MET 83 Cb 0.45 -0.64 -0.02 0.00 -0.71 0.00 0.00 33.22 32.30 1nmr n MET 83 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1nmr n ASN 84 N -2.41 1.84 0.00 7.83 5.03 -1.26 -5.30 115.26 120.99 1nmr n ASN 84 Ca -0.00 0.55 0.00 0.00 0.87 0.00 0.00 54.58 56.00 1nmr n ASN 84 Cb 0.01 -0.84 0.00 0.00 -1.02 0.00 0.00 39.78 37.92 1nmr n ASN 84 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76