#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 4.17 -3.26 1.61 7.64 -1.26 -4.56 113.62 117.96 1nmr n SER 2 Ca 0.00 -3.40 -0.25 0.00 1.01 0.00 0.00 58.87 56.23 1nmr n SER 2 Cb 0.00 -0.82 -0.07 0.00 -1.01 0.00 0.00 64.21 62.31 1nmr n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1nmr n SER 3 N -0.85 1.33 -3.58 6.43 7.64 -1.26 -5.11 113.62 118.22 1nmr n SER 3 Ca 0.51 -2.93 -0.21 0.00 1.01 0.00 0.00 58.87 57.25 1nmr n SER 3 Cb 1.38 -0.65 0.14 0.00 -1.01 0.00 0.00 64.21 64.07 1nmr n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nmr n LEU 4 N 1.23 0.00 -4.60 -3.43 -0.00 -1.26 -5.03 117.00 103.90 1nmr n LEU 4 Ca 0.24 -1.25 -0.33 0.00 -0.00 0.00 0.00 56.01 54.67 1nmr n LEU 4 Cb 0.49 -0.70 0.13 0.00 -0.00 0.00 0.00 43.42 43.34 1nmr n LEU 4 CO 0.25 -1.13 0.48 0.00 -0.00 0.00 0.00 177.39 176.99 1nmr n ALA 5 N -3.46 -0.99 -3.35 1.47 0.00 -1.26 -4.94 120.51 107.97 1nmr n ALA 5 Ca -0.15 -0.45 -0.46 0.00 0.00 0.00 0.00 53.44 52.37 1nmr n ALA 5 Cb 0.44 -2.09 -0.02 0.00 0.00 0.00 0.00 19.45 17.78 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 -2.19 6.79 -0.11 0.00 0.01 -1.26 -5.04 113.70 111.90 1nmr s SER 6 Ca 0.67 -2.84 -0.11 0.00 1.31 0.00 0.00 55.95 54.98 1nmr s SER 6 Cb -0.26 -2.20 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 1nmr s SER 6 CO 0.57 -0.52 0.24 -1.58 0.41 0.00 0.00 173.24 172.37 1nmr s GLN 7 N -0.07 3.87 0.00 12.44 2.00 -1.26 -5.07 119.66 131.57 1nmr s GLN 7 Ca 0.20 0.04 0.00 0.00 -2.00 0.00 0.00 55.36 53.60 1nmr s GLN 7 Cb -0.10 -3.29 0.00 0.00 0.80 0.00 0.00 33.01 30.42 1nmr s GLN 7 CO -0.09 0.55 0.00 0.41 -0.50 0.00 0.00 175.29 175.66 1nmr n GLY 8 N 2.53 0.67 3.20 2.59 0.00 -1.26 -4.93 105.19 107.99 1nmr n GLY 8 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 3.17 -0.21 1.61 0.00 -1.26 -4.87 117.38 115.82 1nmr n GLN 9 Ca 0.00 -4.48 -0.08 0.00 0.00 0.00 0.00 57.00 52.44 1nmr n GLN 9 Cb 0.00 -2.48 0.03 0.00 0.00 0.00 0.00 30.24 27.79 1nmr n GLN 9 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.06 176.09 1nmr h ASN 10 N 6.23 0.86 -0.77 2.61 -0.73 -2.00 -2.72 115.58 119.06 1nmr h ASN 10 Ca 0.17 -0.20 0.13 0.00 1.87 0.00 0.00 56.30 58.27 1nmr h ASN 10 Cb 0.82 -0.23 -0.05 0.00 0.27 0.00 0.00 38.32 39.14 1nmr h ASN 10 CO 0.96 0.83 0.51 -0.07 -0.37 0.00 0.00 177.43 179.29 1nmr h LEU 11 N 0.85 0.51 -0.93 0.34 3.38 -2.00 -1.11 115.31 116.35 1nmr h LEU 11 Ca 0.19 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1nmr h LEU 11 Cb 0.27 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1nmr h LEU 11 CO -0.01 0.28 0.57 0.28 0.09 0.00 0.00 178.44 179.65 1nmr h SER 12 N 0.55 1.11 -0.01 -0.43 0.02 -1.90 -1.03 113.55 111.87 1nmr h SER 12 Ca 0.37 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1nmr h SER 12 Cb 0.67 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1nmr h SER 12 CO -0.13 0.84 0.00 1.07 -1.14 0.00 0.00 176.83 177.47 1nmr n THR 13 N -4.38 0.01 0.02 -2.27 5.66 -0.45 -3.45 114.28 109.42 1nmr n THR 13 Ca 0.10 -0.06 -0.11 0.00 -3.05 0.00 0.00 64.05 60.94 1nmr n THR 13 Cb 0.05 -0.25 -0.13 0.00 -1.55 0.00 0.00 70.33 68.45 1nmr n THR 13 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1nmr h VAL 14 N 0.52 1.15 -0.28 1.08 2.07 -0.83 -3.34 116.25 116.61 1nmr h VAL 14 Ca 0.00 -2.91 -0.14 0.00 0.82 0.00 0.00 66.70 64.47 1nmr h VAL 14 Cb 0.11 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1nmr h VAL 14 CO 0.00 0.72 -0.41 -0.07 0.02 0.00 0.00 177.57 177.83 1nmr h LEU 15 N 0.02 0.73 -0.14 2.57 4.07 -1.57 -2.57 115.31 118.41 1nmr h LEU 15 Ca -0.21 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.42 1nmr h LEU 15 Cb 1.95 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 43.48 1nmr h LEU 15 CO 0.11 1.05 0.00 0.00 -1.08 0.00 0.00 178.44 178.52 1nmr n ALA 16 N -2.52 1.34 0.50 1.53 0.00 -1.25 -1.47 120.51 118.64 1nmr n ALA 16 Ca -0.02 -0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.47 1nmr n ALA 16 Cb 0.53 -1.15 0.19 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.60 2.56 -2.76 0.00 2.85 -0.97 -4.27 115.26 111.09 1nmr n ASN 17 Ca 0.02 -2.15 -0.30 0.00 -0.11 0.00 0.00 54.58 52.03 1nmr n ASN 17 Cb 0.09 -0.37 -0.00 0.00 1.24 0.00 0.00 39.78 40.74 1nmr n ASN 17 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1nmr n LEU 18 N 0.56 5.35 -0.06 1.20 4.77 -0.54 -4.81 117.00 123.47 1nmr n LEU 18 Ca 0.14 -5.28 -0.06 0.00 -0.03 0.00 0.00 56.01 50.77 1nmr n LEU 18 Cb 0.47 -0.64 -0.05 0.00 -2.33 0.00 0.00 43.42 40.87 1nmr n LEU 18 CO 0.12 2.17 -0.02 0.74 -1.33 0.00 0.00 177.39 179.07 1nmr h THR 19 N 2.55 0.53 0.00 -5.08 2.02 -1.83 -3.14 112.91 107.96 1nmr h THR 19 Ca 0.32 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 66.06 1nmr h THR 19 Cb 0.62 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1nmr h THR 19 CO 0.97 0.18 0.00 -0.81 0.37 0.00 0.00 175.52 176.23 1nmr n PRO 20 N -4.67 0.19 -0.02 6.66 -0.04 -1.26 -1.53 135.00 134.32 1nmr n PRO 20 Ca -0.07 0.45 -0.18 0.00 -0.04 0.00 0.00 63.50 63.66 1nmr n PRO 20 Cb 0.23 -1.88 -0.13 0.00 -0.04 0.00 0.00 33.50 31.67 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 0.13 -0.09 0.54 4.81 -1.91 -3.18 114.58 114.88 1nmr h GLU 21 Ca 0.00 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 58.93 1nmr h GLU 21 Cb 0.32 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1nmr h GLU 21 CO 0.00 1.11 -0.22 1.96 -0.73 0.00 0.00 179.01 181.13 1nmr h GLN 22 N -0.70 0.30 -0.31 1.92 1.08 -1.48 -3.23 115.11 112.70 1nmr h GLN 22 Ca -0.13 -0.21 0.07 0.00 -1.45 0.00 0.00 58.65 56.93 1nmr h GLN 22 Cb 1.35 0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 28.73 1nmr h GLN 22 CO 0.03 0.81 -0.30 0.37 -0.95 0.00 0.00 178.83 178.80 1nmr h GLN 23 N -0.17 -0.27 -0.88 1.46 4.15 -1.45 -0.31 115.11 117.64 1nmr h GLN 23 Ca -0.00 0.02 0.20 0.00 0.77 0.00 0.00 58.65 59.64 1nmr h GLN 23 Cb 0.82 0.06 -0.12 0.00 0.21 0.00 0.00 27.48 28.46 1nmr h GLN 23 CO 0.05 -0.18 0.39 0.87 -1.93 0.00 0.00 178.83 178.03 1nmr h LYS 24 N -0.28 0.43 0.30 1.69 1.79 -1.63 0.23 116.57 119.11 1nmr h LYS 24 Ca 0.15 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.58 1nmr h LYS 24 Cb 0.52 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1nmr h LYS 24 CO -0.46 0.29 -0.15 -0.91 -1.08 0.00 0.00 179.45 177.14 1nmr h ASN 25 N 0.44 -0.34 -0.46 0.86 -0.26 -1.13 -2.83 115.58 111.87 1nmr h ASN 25 Ca 0.53 -0.12 0.03 0.00 -0.56 0.00 0.00 56.30 56.18 1nmr h ASN 25 Cb 0.95 0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 38.26 1nmr h ASN 25 CO -0.49 -0.07 0.24 1.62 -1.06 0.00 0.00 177.43 177.67 1nmr h VAL 26 N -0.62 0.99 -0.54 2.81 3.04 -0.17 -2.52 116.25 119.23 1nmr h VAL 26 Ca -0.04 -0.17 0.11 0.00 -1.01 0.00 0.00 66.70 65.59 1nmr h VAL 26 Cb 0.44 0.47 -0.11 0.00 -2.01 0.00 0.00 31.29 30.08 1nmr h VAL 26 CO 0.07 0.09 -0.17 -0.07 -1.01 0.00 0.00 177.57 176.47 1nmr h LEU 27 N 0.48 -0.62 -0.13 3.16 3.38 -0.57 0.11 115.31 121.12 1nmr h LEU 27 Ca 0.19 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 1nmr h LEU 27 Cb 0.08 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1nmr h LEU 27 CO -0.12 -0.21 0.08 1.23 0.09 0.00 0.00 178.44 179.50 1nmr h GLY 28 N -0.04 0.19 0.66 0.83 0.00 -1.22 0.50 103.07 103.99 1nmr h GLY 28 Ca 0.26 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.52 1nmr h GLY 28 CO -0.58 0.08 -0.23 0.83 0.00 0.00 0.00 176.54 176.64 1nmr h GLU 29 N 0.13 -0.43 0.00 4.80 5.08 -0.94 0.30 114.58 123.52 1nmr h GLU 29 Ca 0.05 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1nmr h GLU 29 Cb 0.04 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1nmr h GLU 29 CO -0.01 -0.29 0.00 0.00 -1.00 0.00 0.00 179.01 177.71 1nmr h ARG 30 N -0.45 0.00 0.20 2.33 3.08 -0.73 -3.15 114.38 115.67 1nmr h ARG 30 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1nmr h ARG 30 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1nmr h ARG 30 CO -0.10 0.00 -0.10 1.25 -1.07 0.00 0.00 179.97 179.96 1nmr h LEU 31 N 0.00 -0.23 -1.84 3.04 6.46 0.17 -3.15 115.31 119.76 1nmr h LEU 31 Ca 0.00 0.01 0.29 0.00 -0.12 0.00 0.00 57.88 58.06 1nmr h LEU 31 Cb 0.33 0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.26 1nmr h LEU 31 CO 0.00 0.17 0.73 0.22 -0.62 0.00 0.00 178.44 178.94 1nmr h TYR 32 N -0.95 0.16 -0.27 1.25 5.03 -1.02 0.14 116.97 121.31 1nmr h TYR 32 Ca -0.03 0.01 -0.16 0.00 2.58 0.00 0.00 58.73 61.13 1nmr h TYR 32 Cb 0.21 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.44 1nmr h TYR 32 CO 0.01 0.02 -0.46 -0.97 -1.32 0.00 0.00 178.16 175.43 1nmr h ASN 33 N 0.10 0.75 -0.81 -2.11 -1.24 -1.63 1.92 115.58 112.57 1nmr h ASN 33 Ca 0.51 -0.37 -0.04 0.00 0.71 0.00 0.00 56.30 57.12 1nmr h ASN 33 Cb 1.85 -0.21 -0.04 0.00 0.73 0.00 0.00 38.32 40.65 1nmr h ASN 33 CO -0.07 1.10 0.37 1.12 -1.29 0.00 0.00 177.43 178.65 1nmr h HIS 34 N 0.55 1.19 0.00 0.67 2.07 -0.67 -3.23 115.15 115.73 1nmr h HIS 34 Ca 0.03 -0.07 -0.28 0.00 -2.85 0.00 0.00 60.37 57.20 1nmr h HIS 34 Cb 1.02 -0.37 -0.05 0.00 2.57 0.00 0.00 27.41 30.58 1nmr h HIS 34 CO 0.05 0.88 -2.07 1.51 -3.07 0.00 0.00 177.93 175.22 1nmr n ILE 35 N -4.30 1.24 -0.22 6.12 3.06 -1.11 -4.09 119.36 120.06 1nmr n ILE 35 Ca 0.08 -0.78 0.00 0.00 -2.50 0.00 0.00 62.75 59.55 1nmr n ILE 35 Cb 0.16 -0.56 0.07 0.00 0.54 0.00 0.00 39.64 39.85 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 0.35 0.00 9.51 3.04 0.30 2.37 116.25 131.82 1nmr h VAL 36 Ca -0.38 -0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.21 1nmr h VAL 36 Cb 1.96 0.34 -0.01 0.00 -2.01 0.00 0.00 31.29 31.57 1nmr h VAL 36 CO 0.04 0.00 -0.47 0.00 -1.01 0.00 0.00 177.57 176.12 1nmr h ALA 37 N 1.66 0.83 0.00 3.17 0.00 -1.79 -3.07 119.26 120.05 1nmr h ALA 37 Ca 0.32 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1nmr h ALA 37 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1nmr h ALA 37 CO -0.67 0.59 -0.17 0.82 0.00 0.00 0.00 179.25 179.82 1nmr h ILE 38 N 0.00 0.00 -2.54 0.00 1.08 -0.62 -3.44 117.51 111.99 1nmr h ILE 38 Ca -0.00 -0.38 -0.61 0.00 -0.39 0.00 0.00 64.86 63.48 1nmr h ILE 38 Cb 1.14 0.00 -0.42 0.00 -3.07 0.00 0.00 36.82 34.47 1nmr h ILE 38 CO 0.06 0.00 -0.62 0.59 -0.69 0.00 0.00 178.15 177.49 1nmr n ASN 39 N -3.14 3.20 -0.25 1.72 4.13 0.76 -4.95 115.26 116.74 1nmr n ASN 39 Ca -0.02 -3.29 0.06 0.00 1.68 0.00 0.00 54.58 53.00 1nmr n ASN 39 Cb 0.09 -0.70 0.18 0.00 -1.54 0.00 0.00 39.78 37.81 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 4.69 0.27 -2.02 3.52 0.11 -1.43 -1.84 132.00 135.30 1nmr h PRO 40 Ca 0.18 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.20 1nmr h PRO 40 Cb 0.71 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.74 1nmr h PRO 40 CO 0.76 0.18 -0.13 0.00 -0.21 0.00 0.00 178.00 178.60 1nmr n ALA 41 N -2.66 4.71 0.00 -0.75 0.00 -1.26 -3.22 120.51 117.33 1nmr n ALA 41 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1nmr n ALA 41 Cb 0.46 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 1.90 0.02 -0.36 0.00 0.00 -0.74 -4.60 120.51 116.73 1nmr n ALA 42 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1nmr n ALA 42 Cb 0.62 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.13 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 -1.45 -0.06 -0.33 0.00 0.00 -0.90 0.14 120.51 117.91 1nmr n ALA 43 Ca 0.00 0.96 0.15 0.00 0.00 0.00 0.00 53.44 54.55 1nmr n ALA 43 Cb 0.00 -0.46 0.36 0.00 0.00 0.00 0.00 19.45 19.36 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 1.40 1.80 0.10 0.00 0.00 -1.89 1.00 119.26 121.68 1nmr h ALA 44 Ca 0.35 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 55.17 1nmr h ALA 44 Cb 0.59 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1nmr h ALA 44 CO -0.95 -0.16 -0.71 0.87 0.00 0.00 0.00 179.25 178.30 1nmr h LYS 45 N 0.68 0.22 -0.46 0.00 1.79 0.83 -2.51 116.57 117.13 1nmr h LYS 45 Ca 0.56 -0.38 0.02 0.00 -2.18 0.00 0.00 60.65 58.68 1nmr h LYS 45 Cb 0.99 0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.74 1nmr h LYS 45 CO -0.34 1.18 0.26 0.28 -1.08 0.00 0.00 179.45 179.75 1nmr h VAL 46 N -0.52 1.03 0.12 0.50 2.07 0.18 0.27 116.25 119.89 1nmr h VAL 46 Ca -0.13 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1nmr h VAL 46 Cb 1.51 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1nmr h VAL 46 CO 0.10 0.10 -0.06 0.74 0.02 0.00 0.00 177.57 178.46 1nmr h THR 47 N 0.52 1.05 0.21 2.57 2.02 0.88 0.53 112.91 120.70 1nmr h THR 47 Ca 0.19 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 1nmr h THR 47 Cb 0.04 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1nmr h THR 47 CO -0.10 0.24 -0.10 1.23 0.37 0.00 0.00 175.52 177.16 1nmr h GLY 48 N -0.71 -0.30 0.42 2.16 0.00 -1.42 -3.30 103.07 99.91 1nmr h GLY 48 Ca -0.02 0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 1nmr h GLY 48 CO 0.03 -0.11 -0.17 -0.33 0.00 0.00 0.00 176.54 175.96 1nmr h MET 49 N -0.49 0.13 0.00 4.80 2.07 -0.60 -3.42 114.93 117.41 1nmr h MET 49 Ca -0.03 -0.13 0.00 0.00 -2.07 0.00 0.00 59.70 57.47 1nmr h MET 49 Cb 0.37 0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.14 1nmr h MET 49 CO 0.05 0.85 0.00 -0.11 1.07 0.00 0.00 176.91 178.77 1nmr n LEU 50 N -4.58 0.00 -3.67 1.22 7.94 0.19 -3.26 117.00 114.83 1nmr n LEU 50 Ca -0.09 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.38 1nmr n LEU 50 Cb 0.45 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.36 1nmr n LEU 50 CO 0.38 0.00 2.27 0.18 -1.11 0.00 0.00 177.39 179.10 1nmr n LEU 51 N 0.00 4.86 0.00 -1.96 4.32 -1.26 -3.69 117.00 119.27 1nmr n LEU 51 Ca 0.00 -3.25 -0.18 0.00 -0.02 0.00 0.00 56.01 52.55 1nmr n LEU 51 Cb 0.00 -1.28 0.09 0.00 -1.62 0.00 0.00 43.42 40.61 1nmr n LEU 51 CO 0.00 0.03 0.43 -0.62 -1.22 0.00 0.00 177.39 176.01 1nmr n GLU 52 N 6.78 0.12 0.29 3.23 1.02 -1.20 -4.86 120.64 126.02 1nmr n GLU 52 Ca 0.50 -2.24 -0.12 0.00 -0.02 0.00 0.00 57.16 55.28 1nmr n GLU 52 Cb 0.40 -0.49 -0.06 0.00 -0.02 0.00 0.00 31.44 31.28 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 -0.76 0.00 3.49 2.86 -1.95 -3.01 114.93 115.57 1nmr h MET 53 Ca -0.26 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1nmr h MET 53 Cb 0.99 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.82 1nmr h MET 53 CO 0.29 -0.50 0.00 -0.40 1.06 0.00 0.00 176.91 177.36 1nmr n ASP 54 N -4.91 0.00 -0.20 1.22 5.75 -1.26 -3.73 116.55 113.42 1nmr n ASP 54 Ca -0.10 0.25 0.30 0.00 -0.01 0.00 0.00 54.79 55.23 1nmr n ASP 54 Cb 0.31 -0.47 0.67 0.00 -1.03 0.00 0.00 41.12 40.60 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 0.00 0.00 0.33 -1.12 -1.24 -1.88 -1.90 115.58 109.77 1nmr h ASN 55 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 1nmr h ASN 55 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1nmr h ASN 55 CO 0.00 0.00 -0.16 1.23 -1.29 0.00 0.00 177.43 177.21 1nmr h GLY 56 N 0.00 -0.46 -0.69 1.57 0.00 -1.60 -3.01 103.07 98.88 1nmr h GLY 56 Ca 0.47 0.17 0.10 0.00 0.00 0.00 0.00 47.33 48.07 1nmr h GLY 56 CO -0.00 -0.17 -0.28 1.18 0.00 0.00 0.00 176.54 177.27 1nmr n GLU 57 N -3.75 -0.17 -0.20 4.80 -0.58 -0.72 0.17 120.64 120.19 1nmr n GLU 57 Ca -0.05 1.06 -0.01 0.00 -0.42 0.00 0.00 57.16 57.73 1nmr n GLU 57 Cb 0.17 -1.57 0.10 0.00 -0.57 0.00 0.00 31.44 29.57 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 0.84 -1.59 -3.67 5.03 -1.65 -1.97 117.51 114.51 1nmr h ILE 58 Ca 0.23 -0.17 0.49 0.00 -0.12 0.00 0.00 64.86 65.29 1nmr h ILE 58 Cb 0.40 0.32 -0.10 0.00 -3.03 0.00 0.00 36.82 34.41 1nmr h ILE 58 CO -0.68 0.09 1.10 0.00 -0.68 0.00 0.00 178.15 177.98 1nmr n LEU 59 N -4.93 0.08 -0.16 1.44 -0.00 0.46 -0.01 117.00 113.89 1nmr n LEU 59 Ca 0.08 1.06 0.28 0.00 -0.00 0.00 0.00 56.01 57.43 1nmr n LEU 59 Cb 0.23 -0.53 0.59 0.00 -0.00 0.00 0.00 43.42 43.72 1nmr n LEU 59 CO 0.25 -1.11 1.26 -1.13 -0.00 0.00 0.00 177.39 176.66 1nmr h ASN 60 N 0.00 0.00 -1.77 1.45 -0.00 -1.36 0.86 115.58 114.75 1nmr h ASN 60 Ca 0.84 0.00 -0.64 0.00 -0.00 0.00 0.00 56.30 56.50 1nmr h ASN 60 Cb 3.11 0.00 -0.38 0.00 -0.00 0.00 0.00 38.32 41.05 1nmr h ASN 60 CO -0.18 0.00 -0.24 0.18 -0.00 0.00 0.00 177.43 177.19 1nmr n LEU 61 N -3.51 5.43 -2.21 0.34 4.77 0.99 -5.03 117.00 117.79 1nmr n LEU 61 Ca 0.20 -5.22 -0.11 0.00 -0.03 0.00 0.00 56.01 50.85 1nmr n LEU 61 Cb 1.24 -0.64 -0.11 0.00 -2.33 0.00 0.00 43.42 41.58 1nmr n LEU 61 CO 0.27 2.14 1.03 0.18 -1.33 0.00 0.00 177.39 179.69 1nmr n LEU 62 N -0.44 -0.70 -4.73 2.23 4.77 0.29 -4.83 117.00 113.60 1nmr n LEU 62 Ca 0.41 -0.26 -0.24 0.00 -0.03 0.00 0.00 56.01 55.90 1nmr n LEU 62 Cb 0.51 -0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 41.26 1nmr n LEU 62 CO 0.38 -0.69 -0.20 -1.81 -1.33 0.00 0.00 177.39 173.74 1nmr s ASP 63 N 0.15 4.56 -0.06 -1.43 1.01 -1.26 -5.00 116.67 114.64 1nmr s ASP 63 Ca 0.65 -0.88 -0.26 0.00 0.71 0.00 0.00 52.55 52.77 1nmr s ASP 63 Cb -0.42 -0.63 -0.22 0.00 1.01 0.00 0.00 42.92 42.65 1nmr s ASP 63 CO 0.28 -0.36 1.09 0.74 0.21 0.00 0.00 175.17 177.13 1nmr h THR 64 N 1.53 1.53 0.00 -1.27 2.02 -1.98 -3.10 112.91 111.64 1nmr h THR 64 Ca -0.43 -1.63 0.00 0.00 0.77 0.00 0.00 66.41 65.12 1nmr h THR 64 Cb 1.25 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 70.26 1nmr h THR 64 CO 0.65 0.43 0.00 -0.81 0.37 0.00 0.00 175.52 176.16 1nmr n PRO 65 N -4.70 0.00 -0.13 6.66 -0.04 -1.26 -2.82 135.00 132.71 1nmr n PRO 65 Ca -0.09 0.39 -0.12 0.00 -0.04 0.00 0.00 63.50 63.63 1nmr n PRO 65 Cb 0.37 -1.09 -0.09 0.00 -0.04 0.00 0.00 33.50 32.65 1nmr n PRO 65 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1nmr h GLY 66 N 0.00 -1.10 0.00 0.55 0.00 -1.95 0.37 103.07 100.94 1nmr h GLY 66 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 47.33 48.07 1nmr h GLY 66 CO 0.00 -0.18 0.00 1.04 0.00 0.00 0.00 176.54 177.40 1nmr n LEU 67 N -5.10 0.00 0.05 3.11 7.99 -1.17 0.85 117.00 122.72 1nmr n LEU 67 Ca -0.03 0.99 0.21 0.00 -0.01 0.00 0.00 56.01 57.17 1nmr n LEU 67 Cb 0.30 -0.49 0.66 0.00 -0.11 0.00 0.00 43.42 43.78 1nmr n LEU 67 CO 0.00 -0.49 1.19 -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 -1.40 0.59 115.31 120.80 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 -0.10 -0.78 -1.08 0.00 0.00 178.44 176.48 1nmr h ASP 69 N 0.00 0.00 0.31 -0.43 3.58 0.12 -3.09 116.42 116.91 1nmr h ASP 69 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1nmr h ASP 69 Cb 1.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.58 1nmr h ASP 69 CO -0.00 0.50 0.00 0.00 -2.88 0.00 0.00 179.24 176.86 1nmr n ALA 70 N -2.89 1.93 -0.09 -0.78 0.00 0.25 -2.38 120.51 116.55 1nmr n ALA 70 Ca -0.01 -0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1nmr n ALA 70 Cb 0.05 -1.28 -0.08 0.00 0.00 0.00 0.00 19.45 18.15 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 -0.24 0.00 1.79 0.04 -3.22 116.57 114.94 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 0.15 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 1nmr h LYS 71 CO 0.00 0.60 -0.00 -0.39 -1.08 0.00 0.00 179.45 178.58 1nmr h VAL 72 N -1.00 1.26 0.51 0.50 -1.51 -1.53 0.74 116.25 115.22 1nmr h VAL 72 Ca -0.19 -0.91 -0.02 0.00 -1.23 0.00 0.00 66.70 64.35 1nmr h VAL 72 Cb 0.94 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 1nmr h VAL 72 CO -0.12 0.28 -0.27 1.56 -1.23 0.00 0.00 177.57 177.80 1nmr h GLN 73 N 0.19 -0.70 -0.55 5.19 1.08 -1.69 0.32 115.11 118.95 1nmr h GLN 73 Ca 0.07 0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.31 1nmr h GLN 73 Cb 0.42 0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.98 1nmr h GLN 73 CO 0.01 -0.46 0.34 1.49 -0.95 0.00 0.00 178.83 179.26 1nmr h GLU 74 N -0.72 0.75 -0.54 1.46 4.57 -1.59 0.88 114.58 119.38 1nmr h GLU 74 Ca -0.07 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.03 1nmr h GLU 74 Cb 0.57 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 1nmr h GLU 74 CO 0.10 0.53 0.27 0.00 -1.18 0.00 0.00 179.01 178.73 1nmr h ALA 75 N 1.17 0.70 0.00 2.92 0.00 -0.70 -0.50 119.26 122.85 1nmr h ALA 75 Ca 0.20 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 1nmr h ALA 75 Cb -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1nmr h ALA 75 CO -0.04 0.25 -0.86 -0.07 0.00 0.00 0.00 179.25 178.54 1nmr h LEU 76 N 0.73 0.02 -0.05 0.00 3.38 -0.09 0.66 115.31 119.95 1nmr h LEU 76 Ca 0.19 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1nmr h LEU 76 Cb 0.11 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1nmr h LEU 76 CO -0.02 0.87 -0.01 -0.08 0.09 0.00 0.00 178.44 179.28 1nmr h GLU 77 N 0.01 0.10 0.11 1.13 4.81 0.11 -3.34 114.58 117.51 1nmr h GLU 77 Ca -0.01 -0.04 -0.31 0.00 -0.13 0.00 0.00 59.36 58.87 1nmr h GLU 77 Cb 1.51 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.87 1nmr h GLU 77 CO 0.11 0.43 -1.65 -0.24 -0.73 0.00 0.00 179.01 176.93 1nmr h VAL 78 N -0.23 0.85 -1.59 0.32 3.04 -1.17 -3.50 116.25 113.96 1nmr h VAL 78 Ca 0.01 -2.36 0.00 0.00 -1.01 0.00 0.00 66.70 63.35 1nmr h VAL 78 Cb 0.39 2.57 0.00 0.00 -2.01 0.00 0.00 31.29 32.23 1nmr h VAL 78 CO 0.00 0.74 0.00 0.18 -1.01 0.00 0.00 177.57 177.48 1nmr n LEU 79 N -3.80 0.00 0.00 3.16 4.77 0.23 -2.87 117.00 118.49 1nmr n LEU 79 Ca -0.29 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.76 1nmr n LEU 79 Cb 0.94 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 42.43 1nmr n LEU 79 CO 0.39 -1.11 0.61 0.59 -1.33 0.00 0.00 177.39 176.55 1nmr n ASN 80 N -2.87 0.00 -0.67 -1.43 4.13 -1.26 -3.66 115.26 109.50 1nmr n ASN 80 Ca 0.00 -0.62 0.00 0.00 1.68 0.00 0.00 54.58 55.64 1nmr n ASN 80 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1nmr n ASN 80 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1nmr n ARG 81 N -0.90 0.45 -1.44 3.52 5.12 -1.14 -4.81 116.66 117.46 1nmr n ARG 81 Ca 0.10 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.72 1nmr n ARG 81 Cb 0.05 -1.24 0.10 0.00 -1.16 0.00 0.00 32.46 30.20 1nmr n ARG 81 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1nmr s HIS 82 N -0.49 2.71 0.02 -1.55 2.46 -1.24 -4.96 115.29 112.24 1nmr s HIS 82 Ca 0.00 1.26 0.00 0.00 0.47 0.00 0.00 55.06 56.79 1nmr s HIS 82 Cb 0.00 -3.09 0.00 0.00 -0.13 0.00 0.00 32.58 29.36 1nmr s HIS 82 CO 0.00 -1.86 0.00 -0.12 -2.47 0.00 0.00 174.74 170.29 1nmr n MET 83 N -3.52 0.00 -0.44 2.88 1.56 -1.26 -5.16 117.12 111.19 1nmr n MET 83 Ca 0.07 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.50 1nmr n MET 83 Cb 0.55 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.92 1nmr n MET 83 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1nmr n ASN 84 N -2.44 0.00 0.00 6.12 2.85 -1.26 -5.32 115.26 115.21 1nmr n ASN 84 Ca 0.00 -0.57 0.00 0.00 -0.11 0.00 0.00 54.58 53.90 1nmr n ASN 84 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1nmr n ASN 84 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48