#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 -7.60 -4.04 1.61 7.64 -1.26 -4.72 113.62 105.25 1nmr n SER 2 Ca 0.00 1.26 -0.34 0.00 1.01 0.00 0.00 58.87 60.80 1nmr n SER 2 Cb 0.00 -4.72 -0.10 0.00 -1.01 0.00 0.00 64.21 58.38 1nmr n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1nmr s SER 3 N -7.09 5.24 -0.47 6.43 0.01 -1.26 -5.05 113.70 111.52 1nmr s SER 3 Ca 0.00 -3.30 -0.29 0.00 1.31 0.00 0.00 55.95 53.67 1nmr s SER 3 Cb 0.00 -1.80 0.01 0.00 0.21 0.00 0.00 66.02 64.44 1nmr s SER 3 CO 0.00 -0.25 1.37 -0.76 0.41 0.00 0.00 173.24 174.01 1nmr s LEU 4 N -0.71 3.54 -0.57 2.44 1.02 -1.26 -4.94 118.68 118.20 1nmr s LEU 4 Ca 0.21 0.60 -0.26 0.00 0.02 0.00 0.00 54.13 54.70 1nmr s LEU 4 Cb -0.15 -3.40 -0.05 0.00 0.02 0.00 0.00 46.19 42.62 1nmr s LEU 4 CO -0.08 -1.49 2.12 0.00 0.02 0.00 0.00 176.35 176.92 1nmr s ALA 5 N 5.47 1.89 0.24 4.21 0.00 -1.26 -4.94 121.76 127.36 1nmr s ALA 5 Ca 0.56 -0.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.85 1nmr s ALA 5 Cb -0.12 -4.34 -0.09 0.00 0.00 0.00 0.00 23.12 18.58 1nmr s ALA 5 CO 0.30 -4.21 1.13 -1.12 0.00 0.00 0.00 175.76 171.86 1nmr s SER 6 N 10.00 7.20 0.00 0.00 0.01 -1.26 -5.00 113.70 124.64 1nmr s SER 6 Ca 0.81 2.26 0.00 0.00 1.31 0.00 0.00 55.95 60.33 1nmr s SER 6 Cb -0.14 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.47 1nmr s SER 6 CO 0.22 -0.23 0.00 1.67 0.41 0.00 0.00 173.24 175.31 1nmr n GLN 7 N 1.68 0.00 -3.22 12.44 0.00 -1.26 -4.87 117.38 122.14 1nmr n GLN 7 Ca 0.01 0.01 -0.42 0.00 -0.00 0.00 0.00 57.00 56.59 1nmr n GLN 7 Cb 0.45 -0.28 -0.08 0.00 0.00 0.00 0.00 30.24 30.33 1nmr n GLN 7 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1nmr s GLY 8 N -1.06 1.81 -0.09 1.69 0.00 -1.26 -4.95 107.32 103.46 1nmr s GLY 8 Ca 0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 44.72 43.41 1nmr s GLY 8 CO 0.00 1.33 3.36 0.61 0.00 0.00 0.00 173.10 178.40 1nmr n GLN 9 N 5.89 2.02 0.00 2.90 -0.00 -1.26 -4.53 117.38 122.40 1nmr n GLN 9 Ca -0.04 -1.21 0.00 0.00 -0.00 0.00 0.00 57.00 55.74 1nmr n GLN 9 Cb 0.48 -1.97 0.00 0.00 -0.00 0.00 0.00 30.24 28.75 1nmr n GLN 9 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1nmr n ASN 10 N 2.11 0.00 0.31 2.61 3.02 -1.26 -2.92 115.26 119.13 1nmr n ASN 10 Ca 0.42 0.44 0.20 0.00 -0.03 0.00 0.00 54.58 55.60 1nmr n ASN 10 Cb 0.82 -0.31 0.98 0.00 -0.61 0.00 0.00 39.78 40.66 1nmr n ASN 10 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1nmr h LEU 11 N 0.00 0.00 -0.60 3.41 3.38 -2.00 -1.94 115.31 117.56 1nmr h LEU 11 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1nmr h LEU 11 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1nmr h LEU 11 CO 0.00 0.01 -0.26 0.28 0.09 0.00 0.00 178.44 178.56 1nmr h SER 12 N 0.00 0.85 0.23 -0.43 0.02 -1.85 -2.96 113.55 109.42 1nmr h SER 12 Ca -0.00 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1nmr h SER 12 Cb 0.22 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1nmr h SER 12 CO 0.00 1.07 -0.46 0.41 -1.14 0.00 0.00 176.83 176.71 1nmr n THR 13 N -4.09 0.00 -0.04 -2.27 -1.04 -0.86 -3.46 114.28 102.52 1nmr n THR 13 Ca -0.00 -0.10 -0.14 0.00 -2.04 0.00 0.00 64.05 61.77 1nmr n THR 13 Cb 0.46 0.58 -0.11 0.00 -1.82 0.00 0.00 70.33 69.45 1nmr n THR 13 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1nmr h VAL 14 N 0.93 1.55 0.00 12.58 2.07 -1.20 -3.33 116.25 128.85 1nmr h VAL 14 Ca 0.00 -1.74 -0.19 0.00 0.82 0.00 0.00 66.70 65.58 1nmr h VAL 14 Cb 0.55 2.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.97 1nmr h VAL 14 CO 0.00 0.46 -1.00 0.25 0.02 0.00 0.00 177.57 177.30 1nmr h LEU 15 N -0.60 0.00 -4.55 2.57 5.85 -1.73 -3.36 115.31 113.49 1nmr h LEU 15 Ca -0.01 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.42 1nmr h LEU 15 Cb 0.81 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1nmr h LEU 15 CO 0.02 0.86 1.06 0.00 -0.34 0.00 0.00 178.44 180.04 1nmr n ALA 16 N -2.35 5.72 0.07 1.25 0.00 -1.22 -3.84 120.51 120.14 1nmr n ALA 16 Ca -0.02 -1.98 0.00 0.00 0.00 0.00 0.00 53.44 51.44 1nmr n ALA 16 Cb 0.90 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 3.05 0.67 -3.93 0.00 5.15 -1.26 -4.91 115.26 114.02 1nmr n ASN 17 Ca 0.45 0.22 -0.30 0.00 -0.60 0.00 0.00 54.58 54.35 1nmr n ASN 17 Cb 0.55 -0.11 -0.14 0.00 -0.53 0.00 0.00 39.78 39.55 1nmr n ASN 17 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1nmr s LEU 18 N -6.79 4.16 -0.13 1.20 2.01 -1.25 -4.97 118.68 112.91 1nmr s LEU 18 Ca 0.00 -2.65 -0.11 0.00 0.01 0.00 0.00 54.13 51.38 1nmr s LEU 18 Cb 0.00 -1.53 -0.09 0.00 0.01 0.00 0.00 46.19 44.58 1nmr s LEU 18 CO 0.00 -0.29 0.17 0.74 1.01 0.00 0.00 176.35 177.98 1nmr h THR 19 N 5.85 0.52 0.00 5.49 2.02 -1.95 -3.29 112.91 121.55 1nmr h THR 19 Ca -0.06 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 65.68 1nmr h THR 19 Cb 0.94 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1nmr h THR 19 CO 0.60 0.18 0.00 -0.81 0.37 0.00 0.00 175.52 175.86 1nmr n PRO 20 N -4.67 0.15 -0.03 6.66 -0.04 -1.26 -1.54 135.00 134.26 1nmr n PRO 20 Ca -0.07 0.42 -0.13 0.00 -0.04 0.00 0.00 63.50 63.68 1nmr n PRO 20 Cb 0.24 -1.80 -0.10 0.00 -0.04 0.00 0.00 33.50 31.79 1nmr n PRO 20 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1nmr h GLU 21 N 0.00 -0.04 0.03 0.54 4.81 -1.97 -1.75 114.58 116.20 1nmr h GLU 21 Ca 0.00 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 1nmr h GLU 21 Cb 0.29 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.69 1nmr h GLU 21 CO 0.00 0.65 -1.04 1.96 -0.73 0.00 0.00 179.01 179.85 1nmr h GLN 22 N -0.80 0.52 0.23 1.92 1.08 -1.60 -2.99 115.11 113.46 1nmr h GLN 22 Ca -0.00 -0.60 -0.01 0.00 -1.45 0.00 0.00 58.65 56.59 1nmr h GLN 22 Cb 0.70 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 1nmr h GLN 22 CO 0.01 1.22 -0.11 0.37 -0.95 0.00 0.00 178.83 179.37 1nmr h GLN 23 N 0.27 -0.30 -0.03 1.46 5.75 -1.41 -0.57 115.11 120.29 1nmr h GLN 23 Ca -0.12 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.41 1nmr h GLN 23 Cb 1.69 0.07 -0.00 0.00 1.07 0.00 0.00 27.48 30.31 1nmr h GLN 23 CO 0.19 -0.01 0.03 0.87 -2.65 0.00 0.00 178.83 177.26 1nmr h LYS 24 N -0.57 0.00 0.02 1.69 1.79 -1.43 -2.05 116.57 116.02 1nmr h LYS 24 Ca -0.03 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 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 0.05 0.00 -0.01 -0.91 -1.08 0.00 0.00 179.45 177.50 1nmr h ASN 25 N 0.00 -0.02 -0.72 0.86 4.21 -1.34 0.12 115.58 118.69 1nmr h ASN 25 Ca 0.01 -0.60 0.10 0.00 1.21 0.00 0.00 56.30 57.02 1nmr h ASN 25 Cb 0.08 0.01 -0.07 0.00 -1.12 0.00 0.00 38.32 37.21 1nmr h ASN 25 CO -0.00 0.76 0.36 1.62 -1.29 0.00 0.00 177.43 178.88 1nmr h VAL 26 N -0.97 0.84 0.01 2.81 3.04 -0.84 0.63 116.25 121.77 1nmr h VAL 26 Ca -0.00 -0.21 -0.01 0.00 -1.01 0.00 0.00 66.70 65.47 1nmr h VAL 26 Cb 0.62 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.08 1nmr h VAL 26 CO 0.00 0.11 -0.04 -0.07 -1.01 0.00 0.00 177.57 176.56 1nmr h LEU 27 N 0.61 0.03 -0.15 3.16 3.38 -1.51 -3.11 115.31 117.72 1nmr h LEU 27 Ca 0.36 -0.96 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1nmr h LEU 27 Cb 0.38 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1nmr h LEU 27 CO -0.27 0.98 0.09 1.23 0.09 0.00 0.00 178.44 180.56 1nmr h GLY 28 N -0.93 0.21 0.63 0.83 0.00 -0.56 0.53 103.07 103.79 1nmr h GLY 28 Ca -0.01 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.26 1nmr h GLY 28 CO 0.01 0.08 -0.18 0.83 0.00 0.00 0.00 176.54 177.27 1nmr h GLU 29 N 0.18 -0.32 0.00 4.80 5.08 0.13 -0.24 114.58 124.21 1nmr h GLU 29 Ca 0.05 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1nmr h GLU 29 Cb 0.00 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1nmr h GLU 29 CO -0.01 -0.21 0.00 0.00 -1.00 0.00 0.00 179.01 177.78 1nmr h ARG 30 N -0.33 0.00 0.11 2.33 2.47 -1.45 -3.22 114.38 114.29 1nmr h ARG 30 Ca 0.04 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1nmr h ARG 30 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 1nmr h ARG 30 CO -0.13 0.00 -0.05 1.25 0.56 0.00 0.00 179.97 181.60 1nmr h LEU 31 N 0.00 -0.12 -1.93 3.04 5.85 0.17 -3.24 115.31 119.08 1nmr h LEU 31 Ca 0.00 0.00 0.33 0.00 0.84 0.00 0.00 57.88 59.06 1nmr h LEU 31 Cb 0.39 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 1nmr h LEU 31 CO 0.00 0.27 0.82 0.22 -0.34 0.00 0.00 178.44 179.41 1nmr h TYR 32 N -0.87 0.07 -0.40 1.25 5.03 -1.21 0.37 116.97 121.21 1nmr h TYR 32 Ca -0.01 0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.14 1nmr h TYR 32 Cb 0.11 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.36 1nmr h TYR 32 CO 0.01 0.00 -0.35 -0.97 -1.32 0.00 0.00 178.16 175.53 1nmr h ASN 33 N 0.04 1.01 -0.67 -2.11 -1.24 -1.65 1.48 115.58 112.43 1nmr h ASN 33 Ca 0.56 -0.45 -0.04 0.00 0.71 0.00 0.00 56.30 57.08 1nmr h ASN 33 Cb 2.16 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 40.90 1nmr h ASN 33 CO -0.04 1.25 0.29 1.12 -1.29 0.00 0.00 177.43 178.76 1nmr h HIS 34 N 0.78 1.02 0.00 0.67 2.07 -0.94 -3.22 115.15 115.54 1nmr h HIS 34 Ca 0.07 -0.06 -0.34 0.00 -2.85 0.00 0.00 60.37 57.19 1nmr h HIS 34 Cb 0.94 -0.31 -0.06 0.00 2.57 0.00 0.00 27.41 30.55 1nmr h HIS 34 CO 0.06 0.77 -2.11 1.51 -3.07 0.00 0.00 177.93 175.09 1nmr n ILE 35 N -4.30 1.49 -0.21 6.12 3.06 -1.15 -3.94 119.36 120.43 1nmr n ILE 35 Ca 0.06 -0.82 -0.01 0.00 -2.50 0.00 0.00 62.75 59.48 1nmr n ILE 35 Cb 0.17 -0.76 0.06 0.00 0.54 0.00 0.00 39.64 39.65 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 0.00 0.37 0.00 9.51 3.04 0.21 1.68 116.25 131.06 1nmr h VAL 36 Ca -0.44 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.22 1nmr h VAL 36 Cb 2.14 0.37 -0.00 0.00 -2.01 0.00 0.00 31.29 31.79 1nmr h VAL 36 CO 0.05 0.00 -0.15 0.00 -1.01 0.00 0.00 177.57 176.46 1nmr h ALA 37 N 1.60 0.93 0.00 3.17 0.00 -1.78 -3.15 119.26 120.03 1nmr h ALA 37 Ca 0.30 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1nmr h ALA 37 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1nmr h ALA 37 CO -0.64 0.19 -0.00 0.82 0.00 0.00 0.00 179.25 179.61 1nmr h ILE 38 N 0.00 0.00 -2.97 0.00 5.03 -0.50 -3.45 117.51 115.63 1nmr h ILE 38 Ca -0.00 -0.01 -0.62 0.00 -0.12 0.00 0.00 64.86 64.11 1nmr h ILE 38 Cb 0.97 0.00 -0.41 0.00 -3.03 0.00 0.00 36.82 34.35 1nmr h ILE 38 CO 0.02 0.00 -0.65 0.21 -0.68 0.00 0.00 178.15 177.05 1nmr s ASN 39 N -3.40 4.19 0.37 1.72 2.47 0.53 -4.96 114.94 115.87 1nmr s ASN 39 Ca -0.00 -3.67 0.12 0.00 0.42 0.00 0.00 52.86 49.74 1nmr s ASN 39 Cb 0.00 -1.41 0.93 0.00 -1.45 0.00 0.00 41.25 39.31 1nmr s ASN 39 CO 0.00 -0.11 1.82 -0.65 -3.72 0.00 0.00 177.10 174.45 1nmr h PRO 40 N 5.50 0.56 -1.83 0.43 0.11 -1.54 -1.54 132.00 133.69 1nmr h PRO 40 Ca 0.16 -0.03 -0.32 0.00 0.11 0.00 0.00 66.00 65.91 1nmr h PRO 40 Cb 0.79 -0.13 -0.12 0.00 0.11 0.00 0.00 31.00 31.65 1nmr h PRO 40 CO 0.65 0.37 0.22 0.00 -0.21 0.00 0.00 178.00 179.03 1nmr n ALA 41 N -2.44 5.65 0.00 -0.75 0.00 -1.26 -3.62 120.51 118.09 1nmr n ALA 41 Ca 0.21 -1.96 0.00 0.00 0.00 0.00 0.00 53.44 51.69 1nmr n ALA 41 Cb 0.64 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 1.03 0.01 -0.28 0.00 0.00 -0.64 -4.89 120.51 115.75 1nmr n ALA 42 Ca 0.35 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.83 1nmr n ALA 42 Cb 0.62 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.16 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 -1.51 0.15 -0.07 0.00 0.00 -0.83 0.22 120.51 118.47 1nmr n ALA 43 Ca 0.00 0.83 0.23 0.00 0.00 0.00 0.00 53.44 54.50 1nmr n ALA 43 Cb 0.00 -0.48 0.70 0.00 0.00 0.00 0.00 19.45 19.67 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 1.47 2.62 0.05 0.00 0.00 -1.88 -0.08 119.26 121.43 1nmr h ALA 44 Ca 0.35 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 55.02 1nmr h ALA 44 Cb 0.54 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1nmr h ALA 44 CO -0.78 -0.82 -1.16 0.87 0.00 0.00 0.00 179.25 177.36 1nmr h LYS 45 N 0.01 0.10 -0.82 0.00 1.79 0.24 -2.73 116.57 115.17 1nmr h LYS 45 Ca 0.32 -0.18 -0.02 0.00 -2.18 0.00 0.00 60.65 58.59 1nmr h LYS 45 Cb 1.27 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 31.95 1nmr h LYS 45 CO -0.01 1.08 0.43 -0.24 -1.08 0.00 0.00 179.45 179.63 1nmr h VAL 46 N -0.68 1.25 0.06 0.50 3.04 -0.92 0.45 116.25 119.94 1nmr h VAL 46 Ca -0.28 -0.65 -0.00 0.00 -1.01 0.00 0.00 66.70 64.76 1nmr h VAL 46 Cb 1.47 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1nmr h VAL 46 CO -0.06 0.28 -0.03 0.74 -1.01 0.00 0.00 177.57 177.49 1nmr h THR 47 N 1.15 1.02 -0.91 3.17 2.02 -1.19 1.08 112.91 119.26 1nmr h THR 47 Ca 0.29 -1.55 -0.01 0.00 0.77 0.00 0.00 66.41 65.90 1nmr h THR 47 Cb 0.06 1.85 -0.04 0.00 -1.74 0.00 0.00 68.15 68.28 1nmr h THR 47 CO -0.04 0.32 0.52 1.23 0.37 0.00 0.00 175.52 177.91 1nmr h GLY 48 N -0.93 1.34 0.29 2.16 0.00 -1.48 -3.21 103.07 101.24 1nmr h GLY 48 Ca -0.01 -0.59 -0.29 0.00 0.00 0.00 0.00 47.33 46.45 1nmr h GLY 48 CO 0.01 0.57 -1.55 -0.33 0.00 0.00 0.00 176.54 175.24 1nmr h MET 49 N 1.26 0.13 0.00 4.80 2.07 -0.22 -3.44 114.93 119.52 1nmr h MET 49 Ca 0.32 -0.22 0.00 0.00 -2.07 0.00 0.00 59.70 57.73 1nmr h MET 49 Cb -0.00 0.08 0.00 0.00 -1.87 0.00 0.00 31.60 29.81 1nmr h MET 49 CO -0.06 1.10 0.00 -0.11 1.07 0.00 0.00 176.91 178.92 1nmr n LEU 50 N -4.02 0.00 -3.94 1.22 7.94 0.37 -2.79 117.00 115.78 1nmr n LEU 50 Ca -0.31 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.17 1nmr n LEU 50 Cb 0.84 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.79 1nmr n LEU 50 CO 0.30 0.00 2.51 0.18 -1.11 0.00 0.00 177.39 179.27 1nmr n LEU 51 N 0.00 6.36 -5.04 -1.96 4.32 -1.26 -3.22 117.00 116.21 1nmr n LEU 51 Ca 0.00 -4.07 -0.20 0.00 -0.02 0.00 0.00 56.01 51.72 1nmr n LEU 51 Cb 0.00 -1.68 0.07 0.00 -1.62 0.00 0.00 43.42 40.19 1nmr n LEU 51 CO 0.00 0.85 0.36 -1.61 -1.22 0.00 0.00 177.39 175.78 1nmr s GLU 52 N 3.48 2.27 0.09 3.23 0.41 -1.12 -4.79 118.70 122.26 1nmr s GLU 52 Ca 0.49 -1.68 -0.33 0.00 -0.41 0.00 0.00 54.97 53.05 1nmr s GLU 52 Cb 0.11 -2.64 -0.15 0.00 -1.78 0.00 0.00 34.13 29.68 1nmr s GLU 52 CO -0.05 -0.91 1.51 0.52 -0.49 0.00 0.00 175.26 175.85 1nmr h MET 53 N 0.14 -0.81 0.00 1.61 2.86 -1.94 -1.50 114.93 115.30 1nmr h MET 53 Ca -0.29 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1nmr h MET 53 Cb 1.29 0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.13 1nmr h MET 53 CO 0.40 -0.54 -0.20 -0.40 1.06 0.00 0.00 176.91 177.24 1nmr n ASP 54 N -5.27 0.64 -0.07 1.22 5.75 -1.26 -3.69 116.55 113.87 1nmr n ASP 54 Ca -0.10 0.35 0.25 0.00 -0.01 0.00 0.00 54.79 55.28 1nmr n ASP 54 Cb 0.41 -0.62 0.63 0.00 -1.03 0.00 0.00 41.12 40.50 1nmr n ASP 54 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 1nmr h ASN 55 N -0.35 0.00 0.12 -1.12 -1.24 -1.84 -2.32 115.58 108.82 1nmr h ASN 55 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1nmr h ASN 55 Cb 0.20 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.25 1nmr h ASN 55 CO 0.00 0.00 -0.06 1.23 -1.29 0.00 0.00 177.43 177.31 1nmr h GLY 56 N 0.00 -0.17 -0.49 1.57 0.00 -1.24 -3.14 103.07 99.61 1nmr h GLY 56 Ca 0.35 0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.81 1nmr h GLY 56 CO -0.00 -0.06 -0.21 1.18 0.00 0.00 0.00 176.54 177.45 1nmr n GLU 57 N -3.01 -0.13 -0.30 4.80 -0.58 -0.88 0.33 120.64 120.86 1nmr n GLU 57 Ca -0.02 0.75 0.01 0.00 -0.42 0.00 0.00 57.16 57.48 1nmr n GLU 57 Cb 0.06 -1.11 0.14 0.00 -0.57 0.00 0.00 31.44 29.96 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 1.02 -1.06 -3.67 1.08 -1.69 -2.37 117.51 110.81 1nmr h ILE 58 Ca 0.16 -0.32 0.39 0.00 -0.39 0.00 0.00 64.86 64.70 1nmr h ILE 58 Cb 0.28 0.01 -0.13 0.00 -3.07 0.00 0.00 36.82 33.91 1nmr h ILE 58 CO -0.48 0.17 0.65 0.00 -0.69 0.00 0.00 178.15 177.80 1nmr n LEU 59 N -4.65 0.22 -0.25 1.44 -0.00 0.98 0.46 117.00 115.19 1nmr n LEU 59 Ca 0.12 1.25 0.33 0.00 -0.00 0.00 0.00 56.01 57.71 1nmr n LEU 59 Cb 0.19 -0.61 0.69 0.00 -0.00 0.00 0.00 43.42 43.68 1nmr n LEU 59 CO 0.30 -1.37 1.30 -1.13 -0.00 0.00 0.00 177.39 176.49 1nmr h ASN 60 N 0.00 0.00 -1.79 1.45 -0.73 -1.42 -0.70 115.58 112.39 1nmr h ASN 60 Ca 0.74 0.00 -0.55 0.00 1.87 0.00 0.00 56.30 58.36 1nmr h ASN 60 Cb 2.24 0.00 -0.42 0.00 0.27 0.00 0.00 38.32 40.42 1nmr h ASN 60 CO -0.48 0.00 -0.81 0.18 -0.37 0.00 0.00 177.43 175.95 1nmr n LEU 61 N -3.80 3.77 -2.02 0.34 4.77 0.17 -5.04 117.00 115.19 1nmr n LEU 61 Ca 0.23 -5.17 -0.10 0.00 -0.03 0.00 0.00 56.01 50.94 1nmr n LEU 61 Cb 1.28 -0.25 -0.10 0.00 -2.33 0.00 0.00 43.42 42.02 1nmr n LEU 61 CO 0.34 2.20 0.94 0.18 -1.33 0.00 0.00 177.39 179.72 1nmr n LEU 62 N -0.26 -0.66 -4.90 2.23 4.77 -0.27 -4.83 117.00 113.09 1nmr n LEU 62 Ca 0.31 -0.25 -0.23 0.00 -0.03 0.00 0.00 56.01 55.81 1nmr n LEU 62 Cb 0.58 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1nmr n LEU 62 CO 0.31 -0.65 0.05 -1.81 -1.33 0.00 0.00 177.39 173.96 1nmr s ASP 63 N 0.01 4.87 -0.06 -1.43 1.11 -1.26 -4.97 116.67 114.94 1nmr s ASP 63 Ca 0.59 -0.95 -0.21 0.00 0.18 0.00 0.00 52.55 52.17 1nmr s ASP 63 Cb -0.38 -0.13 -0.16 0.00 1.07 0.00 0.00 42.92 43.32 1nmr s ASP 63 CO 0.26 -0.88 0.83 0.74 1.18 0.00 0.00 175.17 177.29 1nmr h THR 64 N 0.86 0.89 0.11 -1.27 2.02 -1.98 -3.15 112.91 110.39 1nmr h THR 64 Ca -0.39 -1.22 -0.01 0.00 0.77 0.00 0.00 66.41 65.57 1nmr h THR 64 Cb 1.28 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1nmr h THR 64 CO 0.56 0.24 -0.05 1.55 0.37 0.00 0.00 175.52 178.19 1nmr h PRO 65 N -0.87 -0.14 -0.50 6.66 0.13 -1.97 -2.98 132.00 132.32 1nmr h PRO 65 Ca -0.02 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.18 1nmr h PRO 65 Cb 0.54 0.03 -0.09 0.00 0.13 0.00 0.00 31.00 31.61 1nmr h PRO 65 CO 0.03 -0.09 -0.55 0.78 -0.23 0.00 0.00 178.00 177.94 1nmr h GLY 66 N -0.59 -0.91 0.00 1.56 0.00 -1.95 0.46 103.07 101.63 1nmr h GLY 66 Ca -0.01 0.71 0.00 0.00 0.00 0.00 0.00 47.33 48.02 1nmr h GLY 66 CO 0.02 -0.10 0.00 -0.10 0.00 0.00 0.00 176.54 176.36 1nmr n LEU 67 N -5.37 0.00 -0.27 3.11 -0.00 -1.19 -1.36 117.00 111.92 1nmr n LEU 67 Ca -0.02 0.98 0.05 0.00 -0.00 0.00 0.00 56.01 57.02 1nmr n LEU 67 Cb 0.33 -0.48 0.15 0.00 -0.00 0.00 0.00 43.42 43.42 1nmr n LEU 67 CO -0.02 -0.48 0.77 -0.07 -0.00 0.00 0.00 177.39 177.59 1nmr h LEU 68 N 0.00 -0.52 0.65 -1.96 4.07 -1.44 0.95 115.31 117.07 1nmr h LEU 68 Ca 0.00 0.22 -0.03 0.00 0.08 0.00 0.00 57.88 58.15 1nmr h LEU 68 Cb 0.00 0.42 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1nmr h LEU 68 CO 0.00 -0.23 -0.45 0.44 -1.08 0.00 0.00 178.44 177.12 1nmr h ASP 69 N 0.05 -1.16 0.30 -0.43 5.19 -0.06 -0.80 116.42 119.51 1nmr h ASP 69 Ca 0.42 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.90 1nmr h ASP 69 Cb 0.72 0.35 0.00 0.00 0.18 0.00 0.00 39.33 40.57 1nmr h ASP 69 CO -0.75 -0.66 0.00 0.00 -3.12 0.00 0.00 179.24 174.71 1nmr n ALA 70 N -2.69 1.64 -0.07 3.45 0.00 -0.46 -1.93 120.51 120.45 1nmr n ALA 70 Ca -0.13 -0.05 -0.08 0.00 0.00 0.00 0.00 53.44 53.18 1nmr n ALA 70 Cb 0.44 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.21 0.00 1.57 0.19 -2.97 116.57 115.16 1nmr h LYS 71 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1nmr h LYS 71 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1nmr h LYS 71 CO 0.00 0.44 -0.35 -0.39 -0.57 0.00 0.00 179.45 178.57 1nmr h VAL 72 N -1.00 1.33 0.34 0.50 -1.51 -1.14 -1.75 116.25 113.02 1nmr h VAL 72 Ca -0.06 -1.57 -0.01 0.00 -1.23 0.00 0.00 66.70 63.83 1nmr h VAL 72 Cb 0.59 1.83 -0.00 0.00 -2.13 0.00 0.00 31.29 31.58 1nmr h VAL 72 CO -0.03 0.49 -0.20 1.56 -1.23 0.00 0.00 177.57 178.15 1nmr h GLN 73 N 0.28 -0.49 -0.59 5.19 1.08 -1.58 1.16 115.11 120.16 1nmr h GLN 73 Ca 0.01 0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1nmr h GLN 73 Cb 0.95 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 28.46 1nmr h GLN 73 CO 0.08 -0.33 0.37 1.49 -0.95 0.00 0.00 178.83 179.49 1nmr h GLU 74 N -0.51 0.79 0.05 1.46 4.22 -1.58 0.88 114.58 119.88 1nmr h GLU 74 Ca -0.04 -0.06 -0.23 0.00 0.08 0.00 0.00 59.36 59.11 1nmr h GLU 74 Cb 0.42 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1nmr h GLU 74 CO 0.05 0.54 -1.04 0.00 -2.18 0.00 0.00 179.01 176.38 1nmr h ALA 75 N 1.60 0.32 0.09 2.92 0.00 -0.93 -2.32 119.26 120.94 1nmr h ALA 75 Ca 0.21 -0.83 -0.26 0.00 0.00 0.00 0.00 54.91 54.03 1nmr h ALA 75 Cb -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1nmr h ALA 75 CO -0.04 1.02 -1.25 -0.07 0.00 0.00 0.00 179.25 178.91 1nmr h LEU 76 N 0.07 0.29 -0.28 0.00 3.38 0.19 -3.28 115.31 115.68 1nmr h LEU 76 Ca -0.07 -0.33 -0.15 0.00 0.09 0.00 0.00 57.88 57.43 1nmr h LEU 76 Cb 1.74 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.40 1nmr h LEU 76 CO 0.16 1.26 -0.39 -0.08 0.09 0.00 0.00 178.44 179.48 1nmr h GLU 77 N 0.05 0.76 -0.97 1.13 4.81 0.72 -3.13 114.58 117.95 1nmr h GLU 77 Ca -0.13 -0.44 0.10 0.00 -0.13 0.00 0.00 59.36 58.76 1nmr h GLU 77 Cb 1.93 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 31.27 1nmr h GLU 77 CO 0.17 1.07 0.62 -0.24 -0.73 0.00 0.00 179.01 179.90 1nmr h VAL 78 N 0.51 0.96 -0.16 0.32 3.04 -1.51 0.33 116.25 119.75 1nmr h VAL 78 Ca 0.03 -0.34 -0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1nmr h VAL 78 Cb 0.99 -0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.14 1nmr h VAL 78 CO 0.09 0.18 0.10 0.25 -1.01 0.00 0.00 177.57 177.18 1nmr h LEU 79 N 0.99 0.19 -0.09 3.16 7.12 -1.60 -1.59 115.31 123.48 1nmr h LEU 79 Ca 0.46 -0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.44 1nmr h LEU 79 Cb 0.41 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.49 1nmr h LEU 79 CO -0.22 0.17 0.00 0.59 -0.13 0.00 0.00 178.44 178.85 1nmr n ASN 80 N -4.96 0.14 -0.29 1.25 5.03 -0.57 -3.70 115.26 112.16 1nmr n ASN 80 Ca -0.04 -1.27 0.00 0.00 0.87 0.00 0.00 54.58 54.14 1nmr n ASN 80 Cb 0.04 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 38.80 1nmr n ASN 80 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1nmr n ARG 81 N -0.78 0.74 -2.23 3.52 5.12 0.11 -4.76 116.66 118.38 1nmr n ARG 81 Ca 0.18 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.68 1nmr n ARG 81 Cb 0.11 -1.22 -0.03 0.00 -1.16 0.00 0.00 32.46 30.16 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 -1.41 2.10 -0.09 -1.55 3.76 -1.24 -4.80 115.29 112.05 1nmr s HIS 82 Ca 0.00 0.62 -0.08 0.00 -0.15 0.00 0.00 55.06 55.45 1nmr s HIS 82 Cb 0.00 -4.26 -0.04 0.00 1.11 0.00 0.00 32.58 29.39 1nmr s HIS 82 CO 0.00 -2.28 -0.18 -1.33 -0.85 0.00 0.00 174.74 170.11 1nmr n MET 83 N 8.51 0.28 0.00 1.40 2.81 -1.26 -4.99 117.12 123.87 1nmr n MET 83 Ca 0.17 0.12 -0.01 0.00 -1.81 0.00 0.00 57.70 56.18 1nmr n MET 83 Cb 0.49 -0.98 -0.00 0.00 -0.71 0.00 0.00 33.22 32.02 1nmr n MET 83 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1nmr n ASN 84 N -3.79 0.38 0.00 7.83 0.23 -1.26 -5.31 115.26 113.34 1nmr n ASN 84 Ca -0.17 0.05 0.00 0.00 -0.53 0.00 0.00 54.58 53.93 1nmr n ASN 84 Cb 0.48 -0.21 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 1nmr n ASN 84 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85