#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 0.00 -3.80 1.61 2.88 -1.26 -4.65 113.62 108.41 1nmr n SER 2 Ca 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 1nmr n SER 2 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1nmr n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1nmr s SER 3 N -1.47 1.15 -1.04 -3.46 0.01 -1.26 -5.07 113.70 102.56 1nmr s SER 3 Ca 0.00 -1.59 -0.23 0.00 1.31 0.00 0.00 55.95 55.45 1nmr s SER 3 Cb 0.00 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.69 1nmr s SER 3 CO 0.00 -0.94 1.71 -0.76 0.41 0.00 0.00 173.24 173.66 1nmr s LEU 4 N -3.31 3.39 -0.06 2.44 1.43 -1.26 -4.81 118.68 116.50 1nmr s LEU 4 Ca 0.39 -1.38 -0.00 0.00 -1.03 0.00 0.00 54.13 52.11 1nmr s LEU 4 Cb 0.05 -2.57 0.04 0.00 0.03 0.00 0.00 46.19 43.74 1nmr s LEU 4 CO 0.20 -2.05 2.00 0.00 0.23 0.00 0.00 176.35 176.72 1nmr n ALA 5 N 11.13 4.20 -0.06 4.21 0.00 -1.26 -4.00 120.51 134.73 1nmr n ALA 5 Ca 0.39 -0.31 -0.07 0.00 0.00 0.00 0.00 53.44 53.45 1nmr n ALA 5 Cb 0.48 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 1nmr n ALA 5 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nmr n SER 6 N 1.27 1.75 -4.70 0.00 2.88 -1.26 -4.96 113.62 108.60 1nmr n SER 6 Ca 0.06 0.29 -0.40 0.00 -1.33 0.00 0.00 58.87 57.48 1nmr n SER 6 Cb 0.52 -0.65 -0.05 0.00 -0.75 0.00 0.00 64.21 63.28 1nmr n SER 6 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1nmr s GLN 7 N -2.70 4.38 0.46 -1.46 -1.52 -1.26 -4.95 119.66 112.62 1nmr s GLN 7 Ca -0.22 0.90 0.25 0.00 -1.95 0.00 0.00 55.36 54.34 1nmr s GLN 7 Cb 0.03 -3.49 0.99 0.00 -0.22 0.00 0.00 33.01 30.32 1nmr s GLN 7 CO 0.33 -0.07 1.85 0.78 -0.25 0.00 0.00 175.29 177.94 1nmr h GLY 8 N 7.30 0.00 -5.71 3.09 0.00 -1.93 -3.34 103.07 102.48 1nmr h GLY 8 Ca -0.37 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.25 1nmr h GLY 8 CO 0.77 0.00 3.20 -1.06 0.00 0.00 0.00 176.54 179.46 1nmr n GLN 9 N -3.35 3.32 0.00 4.80 1.13 -1.26 -4.75 117.38 117.27 1nmr n GLN 9 Ca 0.00 -2.63 0.00 0.00 -1.94 0.00 0.00 57.00 52.43 1nmr n GLN 9 Cb 0.41 -3.05 0.00 0.00 0.11 0.00 0.00 30.24 27.70 1nmr n GLN 9 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1nmr n ASN 10 N 4.78 0.00 0.01 1.08 4.13 -1.26 -2.78 115.26 121.22 1nmr n ASN 10 Ca 0.60 0.43 0.23 0.00 1.68 0.00 0.00 54.58 57.51 1nmr n ASN 10 Cb 0.33 -0.09 0.72 0.00 -1.54 0.00 0.00 39.78 39.20 1nmr n ASN 10 CO 0.00 0.00 0.00 0.17 0.28 0.00 0.00 177.26 177.71 1nmr h LEU 11 N 0.00 0.00 -0.18 3.41 -0.00 -1.96 -0.21 115.31 116.37 1nmr h LEU 11 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.89 1nmr h LEU 11 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1nmr h LEU 11 CO 0.00 0.00 0.09 0.28 -0.00 0.00 0.00 178.44 178.81 1nmr h SER 12 N 0.00 0.14 1.43 0.17 0.02 -1.92 -1.89 113.55 111.50 1nmr h SER 12 Ca 0.27 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.12 1nmr h SER 12 Cb 1.36 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.86 1nmr h SER 12 CO -0.00 0.11 -0.59 0.00 -1.14 0.00 0.00 176.83 175.21 1nmr h THR 13 N 0.19 0.74 0.00 -2.27 1.03 -0.92 -3.23 112.91 108.46 1nmr h THR 13 Ca 0.07 -2.08 -0.03 0.00 -0.01 0.00 0.00 66.41 64.36 1nmr h THR 13 Cb 0.01 2.33 -0.00 0.00 -1.07 0.00 0.00 68.15 69.41 1nmr h THR 13 CO -0.04 0.42 -0.14 0.58 -0.01 0.00 0.00 175.52 176.32 1nmr h VAL 14 N 0.00 0.58 0.00 0.00 2.07 -0.82 -1.50 116.25 116.58 1nmr h VAL 14 Ca -0.02 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1nmr h VAL 14 Cb 1.37 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1nmr h VAL 14 CO 0.06 0.14 -0.13 -0.11 0.02 0.00 0.00 177.57 177.55 1nmr n LEU 15 N -3.61 0.34 -1.00 2.57 -0.00 -0.74 -3.87 117.00 110.70 1nmr n LEU 15 Ca -0.01 0.42 0.00 0.00 -0.00 0.00 0.00 56.01 56.42 1nmr n LEU 15 Cb 0.27 -0.39 0.00 0.00 -0.00 0.00 0.00 43.42 43.30 1nmr n LEU 15 CO 0.31 -0.03 0.40 0.00 -0.00 0.00 0.00 177.39 178.07 1nmr n ALA 16 N -1.60 2.30 -0.10 1.96 0.00 -0.57 -3.93 120.51 118.58 1nmr n ALA 16 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.55 1nmr n ALA 16 Cb 0.37 -1.00 0.25 0.00 0.00 0.00 0.00 19.45 19.07 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 0.59 3.79 -2.65 0.00 4.05 -1.25 -4.29 115.26 115.51 1nmr n ASN 17 Ca 0.00 -2.52 -0.27 0.00 0.45 0.00 0.00 54.58 52.24 1nmr n ASN 17 Cb 0.40 -0.59 -0.01 0.00 1.23 0.00 0.00 39.78 40.81 1nmr n ASN 17 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1nmr n LEU 18 N 0.43 4.61 -0.03 1.20 4.77 -1.25 -4.83 117.00 121.89 1nmr n LEU 18 Ca 0.17 -5.38 -0.16 0.00 -0.03 0.00 0.00 56.01 50.61 1nmr n LEU 18 Cb 0.80 -0.49 -0.13 0.00 -2.33 0.00 0.00 43.42 41.27 1nmr n LEU 18 CO 0.19 2.28 0.32 0.74 -1.33 0.00 0.00 177.39 179.59 1nmr h THR 19 N 2.72 1.66 -0.32 -5.08 2.02 -1.94 -3.16 112.91 108.81 1nmr h THR 19 Ca 0.24 -2.25 -0.11 0.00 0.77 0.00 0.00 66.41 65.05 1nmr h THR 19 Cb 0.77 3.16 -0.01 0.00 -1.74 0.00 0.00 68.15 70.33 1nmr h THR 19 CO 0.84 0.61 -0.26 1.55 0.37 0.00 0.00 175.52 178.62 1nmr h PRO 20 N -0.72 0.63 -0.70 6.66 0.13 -1.96 -0.80 132.00 135.23 1nmr h PRO 20 Ca -0.04 -0.26 -0.02 0.00 -0.87 0.00 0.00 66.00 64.82 1nmr h PRO 20 Cb 1.13 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.20 1nmr h PRO 20 CO 0.05 0.83 0.38 1.49 -0.23 0.00 0.00 178.00 180.52 1nmr h GLU 21 N 0.55 0.99 -0.01 0.86 4.81 -1.93 -0.83 114.58 119.02 1nmr h GLU 21 Ca 0.07 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1nmr h GLU 21 Cb 0.73 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1nmr h GLU 21 CO 0.06 0.75 -0.08 1.96 -0.73 0.00 0.00 179.01 180.97 1nmr h GLN 22 N 0.97 0.08 0.06 1.92 1.08 -1.49 -2.94 115.11 114.79 1nmr h GLN 22 Ca 0.25 -0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.41 1nmr h GLN 22 Cb 0.05 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.45 1nmr h GLN 22 CO -0.04 0.74 -0.36 0.37 -0.95 0.00 0.00 178.83 178.59 1nmr h GLN 23 N -0.56 -0.53 -0.75 1.46 4.15 -1.07 0.15 115.11 117.95 1nmr h GLN 23 Ca -0.01 0.04 0.16 0.00 0.77 0.00 0.00 58.65 59.61 1nmr h GLN 23 Cb 0.75 0.12 -0.05 0.00 0.21 0.00 0.00 27.48 28.52 1nmr h GLN 23 CO 0.02 -0.36 0.51 0.87 -1.93 0.00 0.00 178.83 177.94 1nmr h LYS 24 N -0.55 0.34 0.26 1.69 1.57 -1.26 -0.03 116.57 118.58 1nmr h LYS 24 Ca 0.04 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1nmr h LYS 24 Cb 0.61 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1nmr h LYS 24 CO -0.25 0.22 -0.12 -0.91 -0.57 0.00 0.00 179.45 177.82 1nmr h ASN 25 N 0.35 -0.29 -0.59 0.86 4.21 -0.95 -3.19 115.58 115.97 1nmr h ASN 25 Ca 0.37 -0.23 0.07 0.00 1.21 0.00 0.00 56.30 57.72 1nmr h ASN 25 Cb 0.94 0.08 -0.06 0.00 -1.12 0.00 0.00 38.32 38.16 1nmr h ASN 25 CO -0.11 0.19 0.28 1.62 -1.29 0.00 0.00 177.43 178.12 1nmr h VAL 26 N -0.90 0.88 -0.71 2.81 3.04 -0.27 -2.29 116.25 118.82 1nmr h VAL 26 Ca -0.04 -0.18 0.15 0.00 -1.01 0.00 0.00 66.70 65.63 1nmr h VAL 26 Cb 0.50 0.32 -0.13 0.00 -2.01 0.00 0.00 31.29 29.98 1nmr h VAL 26 CO 0.06 0.09 -0.09 -0.07 -1.01 0.00 0.00 177.57 176.55 1nmr h LEU 27 N 0.51 -0.49 -0.41 3.16 3.38 -1.10 0.91 115.31 121.27 1nmr h LEU 27 Ca 0.28 0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.45 1nmr h LEU 27 Cb 0.25 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1nmr h LEU 27 CO -0.23 -0.20 0.25 1.23 0.09 0.00 0.00 178.44 179.58 1nmr h GLY 28 N 0.05 0.60 0.98 0.83 0.00 -1.40 0.68 103.07 104.81 1nmr h GLY 28 Ca 0.36 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 1nmr h GLY 28 CO -0.68 0.24 -0.20 0.83 0.00 0.00 0.00 176.54 176.74 1nmr h GLU 29 N 0.55 -0.53 0.00 4.80 5.08 -0.98 -1.71 114.58 121.78 1nmr h GLU 29 Ca 0.15 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1nmr h GLU 29 Cb 0.00 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1nmr h GLU 29 CO -0.03 -0.34 0.00 0.00 -1.00 0.00 0.00 179.01 177.64 1nmr h ARG 30 N -0.58 0.00 0.49 2.33 3.08 -0.79 -3.18 114.38 115.74 1nmr h ARG 30 Ca -0.06 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1nmr h ARG 30 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1nmr h ARG 30 CO 0.09 0.00 -0.23 1.25 -1.07 0.00 0.00 179.97 180.01 1nmr h LEU 31 N 0.00 -0.56 -1.92 3.04 5.85 0.13 -3.10 115.31 118.75 1nmr h LEU 31 Ca 0.00 0.02 0.28 0.00 0.84 0.00 0.00 57.88 59.02 1nmr h LEU 31 Cb 0.32 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 1nmr h LEU 31 CO 0.00 -0.17 0.70 0.22 -0.34 0.00 0.00 178.44 178.85 1nmr h TYR 32 N -1.11 0.08 -0.32 1.25 3.20 -1.36 0.11 116.97 118.82 1nmr h TYR 32 Ca -0.07 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.66 1nmr h TYR 32 Cb 0.50 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1nmr h TYR 32 CO 0.01 0.01 -0.37 -0.97 -1.64 0.00 0.00 178.16 175.20 1nmr h ASN 33 N 0.06 0.78 -0.71 -2.11 -1.24 -1.58 1.79 115.58 112.57 1nmr h ASN 33 Ca 0.48 -0.34 -0.04 0.00 0.71 0.00 0.00 56.30 57.11 1nmr h ASN 33 Cb 1.81 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 40.61 1nmr h ASN 33 CO -0.04 1.07 0.30 1.12 -1.29 0.00 0.00 177.43 178.59 1nmr h HIS 34 N 0.61 1.06 0.00 0.67 2.07 -0.71 -3.22 115.15 115.64 1nmr h HIS 34 Ca 0.06 -0.07 -0.10 0.00 -2.85 0.00 0.00 60.37 57.40 1nmr h HIS 34 Cb 0.91 -0.32 -0.02 0.00 2.57 0.00 0.00 27.41 30.55 1nmr h HIS 34 CO 0.05 0.81 -1.86 1.51 -3.07 0.00 0.00 177.93 175.36 1nmr n ILE 35 N -4.38 0.53 -0.10 6.12 3.06 -1.14 -4.09 119.36 119.35 1nmr n ILE 35 Ca 0.06 -0.61 -0.05 0.00 -2.50 0.00 0.00 62.75 59.64 1nmr n ILE 35 Cb 0.16 -0.24 0.01 0.00 0.54 0.00 0.00 39.64 40.11 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 0.60 0.00 9.51 3.04 0.27 2.09 116.25 131.76 1nmr h VAL 36 Ca -0.14 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.51 1nmr h VAL 36 Cb 1.34 0.60 -0.01 0.00 -2.01 0.00 0.00 31.29 31.21 1nmr h VAL 36 CO 0.01 0.00 -0.22 0.00 -1.01 0.00 0.00 177.57 176.35 1nmr h ALA 37 N 1.32 0.92 0.00 3.17 0.00 -1.79 -3.09 119.26 119.80 1nmr h ALA 37 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nmr h ALA 37 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1nmr h ALA 37 CO -0.39 0.27 -0.28 -0.89 0.00 0.00 0.00 179.25 177.97 1nmr n ILE 38 N -3.24 0.70 -3.69 0.00 -0.00 -0.18 -4.80 119.36 108.15 1nmr n ILE 38 Ca 0.02 0.36 -0.27 0.00 -0.00 0.00 0.00 62.75 62.85 1nmr n ILE 38 Cb 0.52 -1.94 -0.11 0.00 -0.00 0.00 0.00 39.64 38.11 1nmr n ILE 38 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1nmr n ASN 39 N -3.42 2.71 -0.26 4.38 4.13 0.69 -4.96 115.26 118.53 1nmr n ASN 39 Ca -0.04 -3.16 0.06 0.00 1.68 0.00 0.00 54.58 53.12 1nmr n ASN 39 Cb 0.14 -0.71 0.19 0.00 -1.54 0.00 0.00 39.78 37.87 1nmr n ASN 39 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 1nmr h PRO 40 N 5.03 0.44 -1.96 3.52 0.11 -1.45 -1.68 132.00 136.01 1nmr h PRO 40 Ca 0.17 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.16 1nmr h PRO 40 Cb 0.75 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.72 1nmr h PRO 40 CO 0.70 0.29 -0.06 0.00 -0.21 0.00 0.00 178.00 178.72 1nmr n ALA 41 N -2.50 4.86 0.00 -0.75 0.00 -1.26 -3.37 120.51 117.48 1nmr n ALA 41 Ca 0.15 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1nmr n ALA 41 Cb 0.42 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 1.67 0.01 -0.35 0.00 0.00 -0.77 -4.80 120.51 116.26 1nmr n ALA 42 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.63 1nmr n ALA 42 Cb 0.63 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.18 1nmr n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nmr h ALA 43 N 0.00 0.46 -0.69 0.00 0.00 -1.34 1.38 119.26 119.07 1nmr h ALA 43 Ca 0.00 0.34 0.16 0.00 0.00 0.00 0.00 54.91 55.40 1nmr h ALA 43 Cb 0.00 0.82 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1nmr h ALA 43 CO 0.00 -0.47 0.47 0.00 0.00 0.00 0.00 179.25 179.25 1nmr h ALA 44 N 1.74 2.27 0.12 0.00 0.00 -1.88 1.26 119.26 122.77 1nmr h ALA 44 Ca 0.42 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 55.03 1nmr h ALA 44 Cb 0.66 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1nmr h ALA 44 CO -0.98 -0.46 -1.49 0.87 0.00 0.00 0.00 179.25 177.19 1nmr h LYS 45 N 0.27 0.26 -0.43 0.00 1.57 0.11 -3.10 116.57 115.24 1nmr h LYS 45 Ca 0.34 -0.44 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1nmr h LYS 45 Cb 0.94 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1nmr h LYS 45 CO -0.08 1.21 -0.06 0.28 -0.57 0.00 0.00 179.45 180.24 1nmr h VAL 46 N -0.24 1.27 0.23 0.50 2.07 0.13 0.12 116.25 120.33 1nmr h VAL 46 Ca -0.32 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 1nmr h VAL 46 Cb 1.81 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1nmr h VAL 46 CO 0.07 0.38 -0.11 0.74 0.02 0.00 0.00 177.57 178.67 1nmr h THR 47 N 0.62 0.84 0.29 2.57 2.02 0.14 0.78 112.91 120.18 1nmr h THR 47 Ca 0.11 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1nmr h THR 47 Cb 0.57 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1nmr h THR 47 CO 0.03 0.13 -0.14 1.23 0.37 0.00 0.00 175.52 177.14 1nmr h GLY 48 N -0.62 -0.40 0.52 2.16 0.00 -1.60 -3.33 103.07 99.80 1nmr h GLY 48 Ca -0.03 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 1nmr h GLY 48 CO 0.05 -0.15 -0.01 -0.33 0.00 0.00 0.00 176.54 176.10 1nmr h MET 49 N -0.75 0.03 0.00 4.80 2.07 -1.09 -3.41 114.93 116.57 1nmr h MET 49 Ca -0.04 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 1nmr h MET 49 Cb 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.23 1nmr h MET 49 CO 0.07 0.52 0.00 -0.11 1.07 0.00 0.00 176.91 178.45 1nmr n LEU 50 N -4.83 0.00 -3.99 1.22 7.94 0.27 -3.28 117.00 114.34 1nmr n LEU 50 Ca -0.08 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.43 1nmr n LEU 50 Cb 0.26 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.16 1nmr n LEU 50 CO 0.34 0.00 1.98 0.18 -1.11 0.00 0.00 177.39 178.78 1nmr n LEU 51 N 0.00 4.13 0.00 -1.96 4.32 -1.26 -3.72 117.00 118.51 1nmr n LEU 51 Ca 0.00 -3.18 -0.10 0.00 -0.02 0.00 0.00 56.01 52.71 1nmr n LEU 51 Cb 0.00 -1.40 0.04 0.00 -1.62 0.00 0.00 43.42 40.44 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 7.40 0.63 0.24 3.23 1.02 -1.21 -4.85 120.64 127.10 1nmr n GLU 52 Ca 0.48 -1.48 -0.10 0.00 -0.02 0.00 0.00 57.16 56.04 1nmr n GLU 52 Cb 0.43 -0.19 -0.05 0.00 -0.02 0.00 0.00 31.44 31.61 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 -0.63 0.00 3.49 2.86 -1.95 -2.97 114.93 115.73 1nmr h MET 53 Ca -0.14 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1nmr h MET 53 Cb 0.61 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1nmr h MET 53 CO 0.19 -0.42 -0.15 0.38 1.06 0.00 0.00 176.91 177.97 1nmr h ASP 54 N -0.99 0.00 -0.55 1.22 2.03 -1.97 -3.31 116.42 112.84 1nmr h ASP 54 Ca -0.07 0.00 0.16 0.00 -0.73 0.00 0.00 57.03 56.39 1nmr h ASP 54 Cb 0.50 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.98 1nmr h ASP 54 CO 0.11 0.22 0.68 -1.13 -1.03 0.00 0.00 179.24 178.09 1nmr h ASN 55 N -0.30 0.00 0.35 4.15 -0.00 -1.89 -2.20 115.58 115.68 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 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.47 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 -0.49 -0.72 1.57 0.00 -1.60 -3.13 103.07 98.70 1nmr h GLY 56 Ca 0.26 0.18 0.12 0.00 0.00 0.00 0.00 47.33 47.90 1nmr h GLY 56 CO -0.00 -0.18 -0.24 1.18 0.00 0.00 0.00 176.54 177.30 1nmr n GLU 57 N -4.00 -0.13 -0.27 4.80 -0.58 -0.83 0.19 120.64 119.83 1nmr n GLU 57 Ca -0.06 1.12 0.00 0.00 -0.42 0.00 0.00 57.16 57.81 1nmr n GLU 57 Cb 0.19 -1.67 0.13 0.00 -0.57 0.00 0.00 31.44 29.52 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 0.96 -1.52 -3.67 5.03 -1.66 -2.04 117.51 114.61 1nmr h ILE 58 Ca 0.29 -0.27 0.49 0.00 -0.12 0.00 0.00 64.86 65.26 1nmr h ILE 58 Cb 0.47 0.11 -0.12 0.00 -3.03 0.00 0.00 36.82 34.26 1nmr h ILE 58 CO -0.73 0.14 1.02 0.00 -0.68 0.00 0.00 178.15 177.91 1nmr n LEU 59 N -4.74 0.14 0.31 1.44 -0.00 0.50 0.75 117.00 115.41 1nmr n LEU 59 Ca 0.11 1.23 0.10 0.00 -0.00 0.00 0.00 56.01 57.45 1nmr n LEU 59 Cb 0.21 -0.61 0.52 0.00 -0.00 0.00 0.00 43.42 43.54 1nmr n LEU 59 CO 0.29 -1.31 1.09 -1.13 -0.00 0.00 0.00 177.39 176.32 1nmr h ASN 60 N 0.00 0.00 -1.54 1.45 -1.24 -1.38 0.32 115.58 113.18 1nmr h ASN 60 Ca 0.87 0.00 -0.62 0.00 0.71 0.00 0.00 56.30 57.27 1nmr h ASN 60 Cb 3.05 0.00 -0.40 0.00 0.73 0.00 0.00 38.32 41.70 1nmr h ASN 60 CO -0.32 0.00 -0.45 0.18 -1.29 0.00 0.00 177.43 175.56 1nmr n LEU 61 N -2.79 5.18 -1.94 0.34 4.77 0.23 -5.04 117.00 117.76 1nmr n LEU 61 Ca -0.00 -5.12 -0.12 0.00 -0.03 0.00 0.00 56.01 50.73 1nmr n LEU 61 Cb 0.63 -0.55 -0.09 0.00 -2.33 0.00 0.00 43.42 41.09 1nmr n LEU 61 CO 0.09 2.15 0.92 0.18 -1.33 0.00 0.00 177.39 179.41 1nmr n LEU 62 N -0.51 -0.37 -4.66 2.23 4.77 0.10 -4.84 117.00 113.73 1nmr n LEU 62 Ca 0.42 -0.13 -0.23 0.00 -0.03 0.00 0.00 56.01 56.04 1nmr n LEU 62 Cb 0.61 -0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 41.34 1nmr n LEU 62 CO 0.37 -0.51 -0.29 -0.62 -1.33 0.00 0.00 177.39 175.01 1nmr s ASP 63 N 1.36 4.45 -0.06 -1.43 2.15 -1.26 -5.01 116.67 116.87 1nmr s ASP 63 Ca 0.57 -0.79 -0.24 0.00 0.43 0.00 0.00 52.55 52.52 1nmr s ASP 63 Cb -0.43 -0.71 -0.19 0.00 -0.30 0.00 0.00 42.92 41.29 1nmr s ASP 63 CO 0.23 -0.15 0.96 0.74 -0.17 0.00 0.00 175.17 176.79 1nmr h THR 64 N 1.78 1.25 0.03 1.71 2.02 -1.98 -3.15 112.91 114.58 1nmr h THR 64 Ca -0.43 -1.44 -0.00 0.00 0.77 0.00 0.00 66.41 65.30 1nmr h THR 64 Cb 1.25 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 1nmr h THR 64 CO 0.63 0.34 -0.01 1.55 0.37 0.00 0.00 175.52 178.39 1nmr h PRO 65 N -0.77 -0.04 -0.53 6.66 0.13 -1.97 -3.02 132.00 132.46 1nmr h PRO 65 Ca -0.01 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.20 1nmr h PRO 65 Cb 0.62 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.66 1nmr h PRO 65 CO 0.01 -0.03 -0.46 0.78 -0.23 0.00 0.00 178.00 178.08 1nmr h GLY 66 N -0.18 -0.58 0.00 1.56 0.00 -1.96 0.64 103.07 102.55 1nmr h GLY 66 Ca -0.00 0.59 0.00 0.00 0.00 0.00 0.00 47.33 47.92 1nmr h GLY 66 CO 0.01 -0.15 0.00 1.04 0.00 0.00 0.00 176.54 177.44 1nmr n LEU 67 N -5.40 0.00 0.04 3.11 7.99 -1.19 0.39 117.00 121.93 1nmr n LEU 67 Ca 0.00 0.99 0.22 0.00 -0.01 0.00 0.00 56.01 57.21 1nmr n LEU 67 Cb 0.35 -0.49 0.68 0.00 -0.11 0.00 0.00 43.42 43.84 1nmr n LEU 67 CO -0.00 -0.49 1.20 -0.07 -1.51 0.00 0.00 177.39 176.51 1nmr h LEU 68 N 0.00 0.00 0.00 2.23 4.07 -1.39 1.08 115.31 121.31 1nmr h LEU 68 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1nmr h LEU 68 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1nmr h LEU 68 CO 0.00 0.00 -0.03 0.44 -1.08 0.00 0.00 178.44 177.77 1nmr h ASP 69 N 0.00 0.00 0.31 -0.43 5.19 0.84 -2.84 116.42 119.49 1nmr h ASP 69 Ca 0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 1nmr h ASP 69 Cb 1.49 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.00 1nmr h ASP 69 CO -0.00 0.48 0.00 0.00 -3.12 0.00 0.00 179.24 176.59 1nmr n ALA 70 N -2.77 2.02 -0.09 3.45 0.00 0.16 -2.55 120.51 120.73 1nmr n ALA 70 Ca -0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 1nmr n ALA 70 Cb 0.01 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.10 1nmr n ALA 70 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nmr n LYS 71 N -1.25 0.51 -0.13 0.00 4.76 0.37 -3.32 118.16 119.09 1nmr n LYS 71 Ca 0.09 0.51 -0.09 0.00 -2.87 0.00 0.00 58.31 55.95 1nmr n LYS 71 Cb 0.14 -1.68 -0.01 0.00 -1.84 0.00 0.00 35.03 31.64 1nmr n LYS 71 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 1nmr h VAL 72 N -1.00 1.17 0.06 -0.18 -1.51 -1.53 0.32 116.25 113.58 1nmr h VAL 72 Ca -0.17 -0.49 -0.00 0.00 -1.23 0.00 0.00 66.70 64.81 1nmr h VAL 72 Cb 0.90 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 30.83 1nmr h VAL 72 CO -0.10 0.18 -0.03 1.56 -1.23 0.00 0.00 177.57 177.95 1nmr h GLN 73 N 0.50 -0.08 -0.43 5.19 1.08 -1.72 0.21 115.11 119.85 1nmr h GLN 73 Ca 0.13 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.32 1nmr h GLN 73 Cb 0.12 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1nmr h GLN 73 CO -0.02 0.04 0.18 1.49 -0.95 0.00 0.00 178.83 179.57 1nmr h GLU 74 N -0.19 0.65 -0.63 1.46 4.57 -1.53 0.86 114.58 119.77 1nmr h GLU 74 Ca -0.01 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 58.02 1nmr h GLU 74 Cb 0.16 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1nmr h GLU 74 CO 0.01 0.59 0.26 0.00 -1.18 0.00 0.00 179.01 178.69 1nmr h ALA 75 N 1.03 0.82 0.00 2.92 0.00 -0.27 0.03 119.26 123.79 1nmr h ALA 75 Ca 0.15 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1nmr h ALA 75 Cb 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1nmr h ALA 75 CO -0.01 0.43 -0.31 -0.07 0.00 0.00 0.00 179.25 179.29 1nmr h LEU 76 N 0.88 0.00 -0.01 0.00 3.38 -0.38 0.30 115.31 119.48 1nmr h LEU 76 Ca 0.21 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.08 1nmr h LEU 76 Cb 0.19 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1nmr h LEU 76 CO -0.02 0.31 -0.37 -0.08 0.09 0.00 0.00 178.44 178.37 1nmr h GLU 77 N 0.00 0.27 0.16 1.13 4.57 0.12 -3.35 114.58 117.48 1nmr h GLU 77 Ca -0.00 -0.28 -0.35 0.00 -1.18 0.00 0.00 59.36 57.56 1nmr h GLU 77 Cb 1.21 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1nmr h GLU 77 CO 0.04 0.98 -1.75 -0.24 -1.18 0.00 0.00 179.01 176.85 1nmr h VAL 78 N -0.33 0.92 -1.22 0.32 3.04 -1.08 -3.50 116.25 114.40 1nmr h VAL 78 Ca -0.04 -2.54 0.00 0.00 -1.01 0.00 0.00 66.70 63.11 1nmr h VAL 78 Cb 1.10 2.72 0.00 0.00 -2.01 0.00 0.00 31.29 33.10 1nmr h VAL 78 CO 0.07 0.85 0.00 0.18 -1.01 0.00 0.00 177.57 177.66 1nmr n LEU 79 N -3.54 0.00 0.00 3.16 4.77 0.11 -2.60 117.00 118.89 1nmr n LEU 79 Ca -0.24 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.79 1nmr n LEU 79 Cb 1.07 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 42.45 1nmr n LEU 79 CO 0.50 -0.82 0.50 0.59 -1.33 0.00 0.00 177.39 176.83 1nmr n ASN 80 N -3.20 0.00 -0.78 -1.43 3.02 -1.26 -3.64 115.26 107.97 1nmr n ASN 80 Ca 0.00 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 1nmr n ASN 80 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1nmr n ASN 80 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1nmr n ARG 81 N -0.84 0.55 -2.36 3.52 1.74 -1.07 -4.67 116.66 113.53 1nmr n ARG 81 Ca 0.07 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.79 1nmr n ARG 81 Cb 0.03 -1.25 -0.03 0.00 -1.02 0.00 0.00 32.46 30.19 1nmr n ARG 81 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1nmr s HIS 82 N -0.19 2.34 0.00 -1.55 3.76 -1.24 -4.91 115.29 113.50 1nmr s HIS 82 Ca 0.00 -0.50 0.00 0.00 -0.15 0.00 0.00 55.06 54.41 1nmr s HIS 82 Cb 0.00 -4.44 0.00 0.00 1.11 0.00 0.00 32.58 29.25 1nmr s HIS 82 CO 0.00 -1.71 0.00 -0.12 -0.85 0.00 0.00 174.74 172.06 1nmr n MET 83 N 8.62 2.65 0.01 1.40 0.00 -1.26 -5.07 117.12 123.46 1nmr n MET 83 Ca 0.41 0.00 -0.19 0.00 0.00 0.00 0.00 57.70 57.93 1nmr n MET 83 Cb 0.48 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 33.56 1nmr n MET 83 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 175.97 175.06 1nmr h ASN 84 N 0.00 0.34 0.00 6.12 2.35 -2.02 -3.56 115.58 118.81 1nmr h ASN 84 Ca 0.00 -0.74 0.00 0.00 -0.55 0.00 0.00 56.30 55.01 1nmr h ASN 84 Cb 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1nmr h ASN 84 CO 0.00 1.66 0.00 1.33 -1.65 0.00 0.00 177.43 178.77