#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nmr s SER 2 N 0.00 3.93 -0.17 1.61 1.04 -1.26 -5.11 113.70 113.74 1nmr s SER 2 Ca 0.00 -1.39 -0.03 0.00 0.48 0.00 0.00 55.95 55.01 1nmr s SER 2 Cb 0.00 -1.10 -0.02 0.00 0.10 0.00 0.00 66.02 65.00 1nmr s SER 2 CO 0.00 -0.31 -0.06 -0.94 0.98 0.00 0.00 173.24 172.91 1nmr s SER 3 N 1.43 4.49 1.04 7.02 1.04 -1.26 -4.94 113.70 122.52 1nmr s SER 3 Ca 0.01 -0.25 -0.08 0.00 0.48 0.00 0.00 55.95 56.11 1nmr s SER 3 Cb -0.18 -1.73 0.11 0.00 0.10 0.00 0.00 66.02 64.31 1nmr s SER 3 CO -0.11 0.11 0.55 0.18 0.98 0.00 0.00 173.24 174.95 1nmr n LEU 4 N 3.91 0.00 -0.06 2.42 4.32 -1.26 -4.90 117.00 121.44 1nmr n LEU 4 Ca -0.18 -0.59 -0.15 0.00 -0.02 0.00 0.00 56.01 55.06 1nmr n LEU 4 Cb 0.52 -0.44 -0.13 0.00 -1.62 0.00 0.00 43.42 41.75 1nmr n LEU 4 CO 0.31 -1.13 0.26 0.00 -1.22 0.00 0.00 177.39 175.62 1nmr h ALA 5 N -2.06 0.01 0.00 -1.18 0.00 -1.99 -3.33 119.26 110.71 1nmr h ALA 5 Ca -0.19 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1nmr h ALA 5 Cb 0.53 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1nmr h ALA 5 CO 0.13 0.12 -0.10 0.43 0.00 0.00 0.00 179.25 179.83 1nmr n SER 6 N -4.53 0.33 -3.51 0.00 7.64 -1.26 -4.56 113.62 107.73 1nmr n SER 6 Ca -0.13 0.29 -0.40 0.00 1.01 0.00 0.00 58.87 59.65 1nmr n SER 6 Cb 0.55 -0.56 -0.01 0.00 -1.01 0.00 0.00 64.21 63.17 1nmr n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nmr n GLN 7 N -2.69 4.37 0.00 1.43 6.02 -1.26 -4.83 117.38 120.41 1nmr n GLN 7 Ca -0.01 -3.31 0.00 0.00 -0.01 0.00 0.00 57.00 53.67 1nmr n GLN 7 Cb 0.05 -2.69 0.00 0.00 1.02 0.00 0.00 30.24 28.62 1nmr n GLN 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nmr n GLY 8 N 2.09 0.66 2.64 1.08 0.00 -1.25 -4.19 105.19 106.22 1nmr n GLY 8 Ca 0.62 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.25 1nmr n GLY 8 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nmr n GLN 9 N 0.00 2.82 -0.02 1.61 6.02 -1.26 -4.63 117.38 121.92 1nmr n GLN 9 Ca 0.00 -2.22 -0.01 0.00 -0.01 0.00 0.00 57.00 54.76 1nmr n GLN 9 Cb 0.00 -2.97 0.26 0.00 1.02 0.00 0.00 30.24 28.54 1nmr n GLN 9 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1nmr h ASN 10 N 6.01 0.54 -0.54 1.08 -0.26 -1.91 -2.37 115.58 118.14 1nmr h ASN 10 Ca 0.64 -0.12 0.13 0.00 -0.56 0.00 0.00 56.30 56.39 1nmr h ASN 10 Cb 0.47 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.56 1nmr h ASN 10 CO 1.81 0.63 0.37 -0.07 -1.06 0.00 0.00 177.43 179.12 1nmr h LEU 11 N 0.54 0.14 0.10 1.61 3.38 -1.98 0.89 115.31 119.99 1nmr h LEU 11 Ca 0.11 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1nmr h LEU 11 Cb 0.39 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1nmr h LEU 11 CO 0.02 0.08 -0.05 0.28 0.09 0.00 0.00 178.44 178.85 1nmr h SER 12 N 0.15 -0.12 -0.87 -0.43 0.02 -1.81 -3.23 113.55 107.26 1nmr h SER 12 Ca 0.25 -0.37 -0.38 0.00 -0.84 0.00 0.00 61.79 60.46 1nmr h SER 12 Cb 0.81 0.03 -0.22 0.00 0.14 0.00 0.00 62.40 63.15 1nmr h SER 12 CO -0.04 0.33 0.47 0.35 -1.14 0.00 0.00 176.83 176.81 1nmr n THR 13 N -4.94 3.08 0.06 -2.27 -2.24 -0.79 -4.42 114.28 102.75 1nmr n THR 13 Ca -0.09 -1.82 -0.13 0.00 -2.27 0.00 0.00 64.05 59.75 1nmr n THR 13 Cb 0.25 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.03 1nmr n THR 13 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1nmr h VAL 14 N 1.76 1.39 -0.03 2.28 3.04 0.77 -3.07 116.25 122.39 1nmr h VAL 14 Ca 0.46 -2.35 0.01 0.00 -1.01 0.00 0.00 66.70 63.81 1nmr h VAL 14 Cb 2.61 2.32 -0.00 0.00 -2.01 0.00 0.00 31.29 34.22 1nmr h VAL 14 CO 0.93 0.71 0.10 -0.07 -1.01 0.00 0.00 177.57 178.23 1nmr h LEU 15 N 0.26 0.00 -8.17 3.16 -0.00 -1.80 -3.38 115.31 105.37 1nmr h LEU 15 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.81 1nmr h LEU 15 Cb 1.50 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.16 1nmr h LEU 15 CO 0.15 0.00 0.06 0.00 -0.00 0.00 0.00 178.44 178.65 1nmr n ALA 16 N -2.11 0.25 -0.66 1.53 0.00 -1.16 -4.38 120.51 113.98 1nmr n ALA 16 Ca -0.02 -1.89 0.00 0.00 0.00 0.00 0.00 53.44 51.53 1nmr n ALA 16 Cb 0.18 -3.24 0.00 0.00 0.00 0.00 0.00 19.45 16.39 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 19.07 0.00 -3.52 0.00 3.02 -1.26 -4.98 115.26 127.59 1nmr n ASN 17 Ca 0.42 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.70 1nmr n ASN 17 Cb 0.45 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.53 1nmr n ASN 17 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1nmr n LEU 18 N -1.51 3.54 -0.07 3.41 7.99 -1.26 -4.90 117.00 124.19 1nmr n LEU 18 Ca 0.00 -5.38 -0.13 0.00 -0.01 0.00 0.00 56.01 50.49 1nmr n LEU 18 Cb 0.00 -0.66 -0.10 0.00 -0.11 0.00 0.00 43.42 42.55 1nmr n LEU 18 CO 0.00 1.99 0.08 0.74 -1.51 0.00 0.00 177.39 178.69 1nmr h THR 19 N 3.42 1.19 -0.12 -5.08 2.02 -1.94 -3.15 112.91 109.26 1nmr h THR 19 Ca 0.19 -2.00 -0.10 0.00 0.77 0.00 0.00 66.41 65.27 1nmr h THR 19 Cb 0.68 2.36 -0.01 0.00 -1.74 0.00 0.00 68.15 69.44 1nmr h THR 19 CO 0.80 0.40 -0.35 1.55 0.37 0.00 0.00 175.52 178.30 1nmr h PRO 20 N -1.00 0.24 0.00 6.66 0.13 -1.98 0.48 132.00 136.54 1nmr h PRO 20 Ca -0.08 -0.10 -0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1nmr h PRO 20 Cb 0.87 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1nmr h PRO 20 CO -0.05 0.57 -0.00 1.49 -0.23 0.00 0.00 178.00 179.78 1nmr h GLU 21 N 0.21 -0.01 0.04 0.86 4.81 -1.95 -1.05 114.58 117.49 1nmr h GLU 21 Ca 0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1nmr h GLU 21 Cb 0.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1nmr h GLU 21 CO 0.06 0.36 -0.02 1.96 -0.73 0.00 0.00 179.01 180.63 1nmr h GLN 22 N -0.37 -0.05 -0.21 1.92 1.08 -1.52 -3.04 115.11 112.92 1nmr h GLN 22 Ca -0.00 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.26 1nmr h GLN 22 Cb 0.36 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.74 1nmr h GLN 22 CO 0.00 0.42 -0.18 0.37 -0.95 0.00 0.00 178.83 178.49 1nmr h GLN 23 N -0.53 -0.18 -0.66 1.46 5.75 -0.98 0.15 115.11 120.12 1nmr h GLN 23 Ca -0.00 0.01 0.18 0.00 -0.15 0.00 0.00 58.65 58.68 1nmr h GLN 23 Cb 0.49 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.05 1nmr h GLN 23 CO 0.01 -0.12 0.47 0.87 -2.65 0.00 0.00 178.83 177.41 1nmr h LYS 24 N -0.19 0.10 0.14 1.69 1.79 -1.25 -0.86 116.57 118.00 1nmr h LYS 24 Ca 0.13 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.58 1nmr h LYS 24 Cb 0.38 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1nmr h LYS 24 CO -0.33 0.06 -0.07 -0.91 -1.08 0.00 0.00 179.45 177.13 1nmr h ASN 25 N 0.10 -0.16 -0.57 0.86 4.21 -0.89 -2.98 115.58 116.16 1nmr h ASN 25 Ca 0.32 -0.39 0.06 0.00 1.21 0.00 0.00 56.30 57.50 1nmr h ASN 25 Cb 1.12 0.04 -0.05 0.00 -1.12 0.00 0.00 38.32 38.31 1nmr h ASN 25 CO -0.03 0.39 0.27 1.62 -1.29 0.00 0.00 177.43 178.39 1nmr h VAL 26 N -0.82 0.90 -0.38 2.81 3.04 -0.62 -2.22 116.25 118.96 1nmr h VAL 26 Ca -0.02 -0.17 0.07 0.00 -1.01 0.00 0.00 66.70 65.57 1nmr h VAL 26 Cb 0.54 0.35 -0.07 0.00 -2.01 0.00 0.00 31.29 30.11 1nmr h VAL 26 CO 0.03 0.09 -0.04 -0.07 -1.01 0.00 0.00 177.57 176.58 1nmr h LEU 27 N 0.50 -0.23 -0.73 3.16 3.38 -1.27 -1.32 115.31 118.81 1nmr h LEU 27 Ca 0.26 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1nmr h LEU 27 Cb 0.22 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1nmr h LEU 27 CO -0.21 -0.08 0.43 1.23 0.09 0.00 0.00 178.44 179.91 1nmr h GLY 28 N 0.06 1.06 0.99 0.83 0.00 -1.26 0.13 103.07 104.87 1nmr h GLY 28 Ca 0.18 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1nmr h GLY 28 CO -0.34 0.43 -0.24 0.83 0.00 0.00 0.00 176.54 177.23 1nmr h GLU 29 N 0.99 -0.63 0.00 4.80 4.39 -0.83 -1.35 114.58 121.95 1nmr h GLU 29 Ca 0.26 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.00 1nmr h GLU 29 Cb -0.02 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1nmr h GLU 29 CO -0.05 -0.42 0.00 0.54 -1.16 0.00 0.00 179.01 177.93 1nmr n ARG 30 N -5.37 0.12 0.05 2.33 5.12 -0.55 -3.17 116.66 115.18 1nmr n ARG 30 Ca -0.12 0.41 -0.03 0.00 -1.93 0.00 0.00 57.85 56.19 1nmr n ARG 30 Cb 0.28 -1.75 -0.02 0.00 -1.16 0.00 0.00 32.46 29.81 1nmr n ARG 30 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1nmr h LEU 31 N 0.00 -0.18 -1.68 0.55 5.85 0.33 -3.02 115.31 117.16 1nmr h LEU 31 Ca 0.00 0.01 0.20 0.00 0.84 0.00 0.00 57.88 58.93 1nmr h LEU 31 Cb 0.25 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1nmr h LEU 31 CO 0.00 0.24 0.57 0.22 -0.34 0.00 0.00 178.44 179.12 1nmr h TYR 32 N -0.94 0.35 -0.23 1.25 5.03 -1.32 -1.05 116.97 120.06 1nmr h TYR 32 Ca -0.02 0.01 -0.17 0.00 2.58 0.00 0.00 58.73 61.12 1nmr h TYR 32 Cb 0.16 -0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.33 1nmr h TYR 32 CO 0.00 0.10 -0.56 -0.97 -1.32 0.00 0.00 178.16 175.42 1nmr h ASN 33 N 0.27 0.78 -0.69 -2.11 -1.24 -1.65 1.07 115.58 112.01 1nmr h ASN 33 Ca 0.42 -0.42 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 1nmr h ASN 33 Cb 1.21 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 40.01 1nmr h ASN 33 CO -0.11 1.18 0.34 1.12 -1.29 0.00 0.00 177.43 178.67 1nmr h HIS 34 N 0.53 1.01 0.00 0.67 2.07 -1.05 -3.19 115.15 115.19 1nmr h HIS 34 Ca 0.01 -0.04 -0.35 0.00 -2.85 0.00 0.00 60.37 57.14 1nmr h HIS 34 Cb 1.14 -0.32 -0.06 0.00 2.57 0.00 0.00 27.41 30.74 1nmr h HIS 34 CO 0.06 0.74 -2.18 -0.89 -3.07 0.00 0.00 177.93 172.59 1nmr n ILE 35 N -4.33 1.46 -0.26 6.12 5.41 -1.14 -4.16 119.36 122.46 1nmr n ILE 35 Ca 0.07 -0.84 0.02 0.00 1.00 0.00 0.00 62.75 63.00 1nmr n ILE 35 Cb 0.13 -0.65 0.09 0.00 -0.71 0.00 0.00 39.64 38.50 1nmr n ILE 35 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 176.55 178.17 1nmr h VAL 36 N 0.00 0.24 0.00 1.39 3.04 0.12 2.88 116.25 123.92 1nmr h VAL 36 Ca -0.47 -0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.20 1nmr h VAL 36 Cb 2.17 0.24 -0.00 0.00 -2.01 0.00 0.00 31.29 31.69 1nmr h VAL 36 CO 0.04 0.00 -0.11 0.00 -1.01 0.00 0.00 177.57 176.49 1nmr h ALA 37 N 1.76 0.98 0.00 3.17 0.00 -1.79 -3.17 119.26 120.21 1nmr h ALA 37 Ca 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1nmr h ALA 37 Cb 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1nmr h ALA 37 CO -0.78 0.14 -0.34 -0.89 0.00 0.00 0.00 179.25 177.38 1nmr n ILE 38 N -3.19 0.75 -3.86 0.00 -0.00 0.31 -4.83 119.36 108.53 1nmr n ILE 38 Ca 0.01 0.34 -0.29 0.00 -0.00 0.00 0.00 62.75 62.82 1nmr n ILE 38 Cb 0.43 -1.96 -0.13 0.00 -0.00 0.00 0.00 39.64 37.99 1nmr n ILE 38 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.55 176.75 1nmr s ASN 39 N -4.76 4.32 0.40 4.38 -0.87 0.88 -4.95 114.94 114.34 1nmr s ASN 39 Ca -0.10 -3.42 0.15 0.00 -1.57 0.00 0.00 52.86 47.92 1nmr s ASN 39 Cb 0.01 -1.49 1.02 0.00 -0.02 0.00 0.00 41.25 40.77 1nmr s ASN 39 CO 0.14 -0.15 1.84 -0.65 -2.57 0.00 0.00 177.10 175.71 1nmr h PRO 40 N 5.88 0.46 -1.99 -0.60 0.11 -1.62 -1.72 132.00 132.53 1nmr h PRO 40 Ca 0.07 -0.03 -0.54 0.00 0.11 0.00 0.00 66.00 65.61 1nmr h PRO 40 Cb 0.82 -0.10 -0.19 0.00 0.11 0.00 0.00 31.00 31.64 1nmr h PRO 40 CO 0.66 0.31 0.51 0.00 -0.21 0.00 0.00 178.00 179.27 1nmr n ALA 41 N -2.48 6.45 0.00 -0.75 0.00 -1.26 -4.01 120.51 118.45 1nmr n ALA 41 Ca 0.20 -3.21 0.00 0.00 0.00 0.00 0.00 53.44 50.43 1nmr n ALA 41 Cb 0.67 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 0.62 0.15 -0.39 0.00 0.00 -0.67 -4.92 120.51 115.30 1nmr n ALA 42 Ca 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.90 1nmr n ALA 42 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.88 -0.25 -0.15 0.00 0.00 -1.06 0.18 120.51 117.35 1nmr n ALA 43 Ca 0.00 0.95 0.17 0.00 0.00 0.00 0.00 53.44 54.56 1nmr n ALA 43 Cb 0.00 -0.36 0.54 0.00 0.00 0.00 0.00 19.45 19.63 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 1.14 2.21 0.02 0.00 0.00 -1.89 0.81 119.26 121.54 1nmr h ALA 44 Ca 0.30 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.03 1nmr h ALA 44 Cb 0.54 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1nmr h ALA 44 CO -0.97 -0.41 -0.95 0.87 0.00 0.00 0.00 179.25 177.79 1nmr h LYS 45 N 0.34 0.04 -0.49 0.00 1.79 0.78 -3.14 116.57 115.88 1nmr h LYS 45 Ca 0.37 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.76 1nmr h LYS 45 Cb 0.94 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.59 1nmr h LYS 45 CO -0.10 1.03 0.27 0.28 -1.08 0.00 0.00 179.45 179.84 1nmr h VAL 46 N -0.89 1.17 0.17 0.50 2.07 0.23 0.32 116.25 119.83 1nmr h VAL 46 Ca -0.25 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1nmr h VAL 46 Cb 1.30 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1nmr h VAL 46 CO -0.11 0.19 -0.08 0.74 0.02 0.00 0.00 177.57 178.32 1nmr h THR 47 N 0.66 0.94 0.05 2.57 2.02 0.46 0.64 112.91 120.24 1nmr h THR 47 Ca 0.17 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 1nmr h THR 47 Cb 0.06 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1nmr h THR 47 CO -0.03 0.13 -0.02 1.23 0.37 0.00 0.00 175.52 177.20 1nmr h GLY 48 N -0.51 -0.06 0.59 2.16 0.00 -1.53 -3.32 103.07 100.39 1nmr h GLY 48 Ca -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1nmr h GLY 48 CO 0.04 -0.02 -0.02 -0.33 0.00 0.00 0.00 176.54 176.21 1nmr h MET 49 N -0.58 0.07 0.00 4.80 2.07 -0.48 -3.40 114.93 117.41 1nmr h MET 49 Ca -0.01 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 1nmr h MET 49 Cb 0.52 -0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.25 1nmr h MET 49 CO 0.01 0.50 0.00 -0.11 1.07 0.00 0.00 176.91 178.38 1nmr n LEU 50 N -4.82 0.00 -3.61 1.22 7.94 0.22 -2.67 117.00 115.28 1nmr n LEU 50 Ca -0.08 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.41 1nmr n LEU 50 Cb 0.25 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.16 1nmr n LEU 50 CO 0.34 0.00 2.27 0.18 -1.11 0.00 0.00 177.39 179.08 1nmr n LEU 51 N 0.00 4.79 0.00 -1.96 4.77 -1.26 -3.07 117.00 120.26 1nmr n LEU 51 Ca 0.00 -3.17 -0.09 0.00 -0.03 0.00 0.00 56.01 52.73 1nmr n LEU 51 Cb 0.00 -1.23 0.04 0.00 -2.33 0.00 0.00 43.42 39.90 1nmr n LEU 51 CO 0.00 0.05 0.18 -0.62 -1.33 0.00 0.00 177.39 175.67 1nmr n GLU 52 N 6.56 0.64 0.32 3.23 -0.58 -1.09 -4.84 120.64 124.88 1nmr n GLU 52 Ca 0.50 -1.23 -0.13 0.00 -0.42 0.00 0.00 57.16 55.89 1nmr n GLU 52 Cb 0.38 -0.17 -0.06 0.00 -0.57 0.00 0.00 31.44 31.02 1nmr n GLU 52 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1nmr h MET 53 N 0.00 -0.82 0.00 3.49 2.86 -1.94 -2.97 114.93 115.55 1nmr h MET 53 Ca -0.12 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1nmr h MET 53 Cb 0.51 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1nmr h MET 53 CO 0.15 -0.55 0.00 -0.40 1.06 0.00 0.00 176.91 177.18 1nmr n ASP 54 N -5.04 0.00 -0.23 1.22 5.75 -1.26 -3.77 116.55 113.22 1nmr n ASP 54 Ca -0.11 0.23 0.32 0.00 -0.01 0.00 0.00 54.79 55.22 1nmr n ASP 54 Cb 0.34 -0.39 0.69 0.00 -1.03 0.00 0.00 41.12 40.73 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 0.35 -1.12 -0.00 -1.86 -2.00 115.58 110.94 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 -0.48 -0.68 1.57 0.00 -1.44 -2.98 103.07 99.05 1nmr h GLY 56 Ca 0.49 0.18 0.10 0.00 0.00 0.00 0.00 47.33 48.10 1nmr h GLY 56 CO -0.01 -0.18 -0.29 1.18 0.00 0.00 0.00 176.54 177.25 1nmr n GLU 57 N -3.52 -0.19 -0.20 4.80 -0.58 -0.75 0.14 120.64 120.34 1nmr n GLU 57 Ca -0.06 1.04 -0.00 0.00 -0.42 0.00 0.00 57.16 57.72 1nmr n GLU 57 Cb 0.18 -1.54 0.10 0.00 -0.57 0.00 0.00 31.44 29.61 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 0.76 -1.03 -3.67 2.04 -1.62 -1.90 117.51 112.09 1nmr h ILE 58 Ca 0.21 -0.13 0.38 0.00 1.00 0.00 0.00 64.86 66.32 1nmr h ILE 58 Cb 0.38 0.35 -0.13 0.00 -0.74 0.00 0.00 36.82 36.68 1nmr h ILE 58 CO -0.67 0.07 0.63 0.00 0.00 0.00 0.00 178.15 178.18 1nmr n LEU 59 N -5.01 0.22 -0.16 1.44 -0.00 0.36 0.12 117.00 113.96 1nmr n LEU 59 Ca 0.08 1.24 0.29 0.00 -0.00 0.00 0.00 56.01 57.62 1nmr n LEU 59 Cb 0.27 -0.61 0.63 0.00 -0.00 0.00 0.00 43.42 43.71 1nmr n LEU 59 CO 0.22 -1.37 1.26 -1.13 -0.00 0.00 0.00 177.39 176.37 1nmr h ASN 60 N 0.00 0.00 -1.55 1.45 -1.24 -1.36 0.20 115.58 113.08 1nmr h ASN 60 Ca 0.72 0.00 -0.62 0.00 0.71 0.00 0.00 56.30 57.11 1nmr h ASN 60 Cb 2.18 0.00 -0.39 0.00 0.73 0.00 0.00 38.32 40.84 1nmr h ASN 60 CO -0.49 0.00 -0.36 0.18 -1.29 0.00 0.00 177.43 175.48 1nmr n LEU 61 N -3.62 5.33 -1.94 0.34 4.77 0.31 -5.03 117.00 117.16 1nmr n LEU 61 Ca 0.20 -5.10 -0.13 0.00 -0.03 0.00 0.00 56.01 50.95 1nmr n LEU 61 Cb 1.20 -0.58 -0.08 0.00 -2.33 0.00 0.00 43.42 41.63 1nmr n LEU 61 CO 0.29 2.12 0.93 0.18 -1.33 0.00 0.00 177.39 179.59 1nmr n LEU 62 N -0.52 -0.31 -4.70 2.23 4.77 0.71 -4.85 117.00 114.33 1nmr n LEU 62 Ca 0.43 -0.10 -0.23 0.00 -0.03 0.00 0.00 56.01 56.07 1nmr n LEU 62 Cb 0.60 -0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 41.32 1nmr n LEU 62 CO 0.38 -0.49 -0.24 -1.81 -1.33 0.00 0.00 177.39 173.90 1nmr s ASP 63 N 1.66 4.60 -0.07 -1.43 1.01 -1.26 -5.00 116.67 116.18 1nmr s ASP 63 Ca 0.58 -0.77 -0.25 0.00 0.71 0.00 0.00 52.55 52.81 1nmr s ASP 63 Cb -0.44 -0.73 -0.21 0.00 1.01 0.00 0.00 42.92 42.55 1nmr s ASP 63 CO 0.23 -0.23 1.01 0.74 0.21 0.00 0.00 175.17 177.13 1nmr h THR 64 N 1.64 1.37 0.05 -1.27 2.02 -1.98 -3.15 112.91 111.60 1nmr h THR 64 Ca -0.44 -1.50 -0.00 0.00 0.77 0.00 0.00 66.41 65.24 1nmr h THR 64 Cb 1.25 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 70.00 1nmr h THR 64 CO 0.63 0.37 -0.02 1.55 0.37 0.00 0.00 175.52 178.42 1nmr h PRO 65 N -0.74 -0.06 -0.46 6.66 0.13 -1.97 -3.03 132.00 132.52 1nmr h PRO 65 Ca -0.01 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.19 1nmr h PRO 65 Cb 0.64 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.70 1nmr h PRO 65 CO 0.01 -0.04 -0.53 0.78 -0.23 0.00 0.00 178.00 177.99 1nmr h GLY 66 N -0.33 -0.87 0.00 1.56 0.00 -1.96 0.72 103.07 102.19 1nmr h GLY 66 Ca -0.01 0.68 0.00 0.00 0.00 0.00 0.00 47.33 48.00 1nmr h GLY 66 CO 0.01 -0.13 0.00 1.04 0.00 0.00 0.00 176.54 177.47 1nmr n LEU 67 N -5.38 0.00 -0.62 3.11 7.99 -1.19 -0.63 117.00 120.28 1nmr n LEU 67 Ca -0.02 0.99 0.49 0.00 -0.01 0.00 0.00 56.01 57.46 1nmr n LEU 67 Cb 0.34 -0.49 0.81 0.00 -0.11 0.00 0.00 43.42 43.97 1nmr n LEU 67 CO 0.00 -0.49 1.45 -0.07 -1.51 0.00 0.00 177.39 176.77 1nmr h LEU 68 N 0.00 0.01 0.16 2.23 4.07 -1.43 0.86 115.31 121.22 1nmr h LEU 68 Ca 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 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 -0.08 0.44 -1.08 0.00 0.00 178.44 177.71 1nmr h ASP 69 N 0.00 -0.18 0.25 -0.43 5.19 -0.41 -3.21 116.42 117.62 1nmr h ASP 69 Ca 0.86 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 57.26 1nmr h ASP 69 Cb 3.43 0.05 0.00 0.00 0.18 0.00 0.00 39.33 42.99 1nmr h ASP 69 CO -0.03 0.30 0.00 0.00 -3.12 0.00 0.00 179.24 176.39 1nmr n ALA 70 N -2.76 1.91 -0.06 3.45 0.00 0.20 -1.91 120.51 121.34 1nmr n ALA 70 Ca -0.03 -0.08 -0.06 0.00 0.00 0.00 0.00 53.44 53.27 1nmr n ALA 70 Cb 0.10 -1.26 -0.06 0.00 0.00 0.00 0.00 19.45 18.23 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 0.05 0.00 1.57 0.57 -3.09 116.57 115.67 1nmr h LYS 71 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1nmr h LYS 71 Cb 0.12 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.45 1nmr h LYS 71 CO 0.00 0.44 -0.66 -0.39 -0.57 0.00 0.00 179.45 178.27 1nmr h VAL 72 N -1.00 1.47 0.21 0.50 -1.51 -1.55 -1.87 116.25 112.50 1nmr h VAL 72 Ca -0.00 -2.24 0.01 0.00 -1.23 0.00 0.00 66.70 63.24 1nmr h VAL 72 Cb 0.45 2.83 -0.03 0.00 -2.13 0.00 0.00 31.29 32.41 1nmr h VAL 72 CO -0.00 0.64 -0.31 1.56 -1.23 0.00 0.00 177.57 178.23 1nmr h GLN 73 N -0.22 -0.57 -0.29 5.19 1.08 -1.58 0.42 115.11 119.13 1nmr h GLN 73 Ca -0.10 0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.10 1nmr h GLN 73 Cb 1.42 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.97 1nmr h GLN 73 CO 0.13 -0.38 0.02 1.49 -0.95 0.00 0.00 178.83 179.14 1nmr h GLU 74 N -0.60 0.50 -0.17 1.46 4.22 -1.67 0.17 114.58 118.49 1nmr h GLU 74 Ca 0.01 -0.15 0.03 0.00 0.08 0.00 0.00 59.36 59.33 1nmr h GLU 74 Cb 0.58 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1nmr h GLU 74 CO -0.12 0.63 -0.03 0.00 -2.18 0.00 0.00 179.01 177.30 1nmr h ALA 75 N 0.85 0.12 0.00 2.92 0.00 -1.15 0.54 119.26 122.54 1nmr h ALA 75 Ca 0.09 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1nmr h ALA 75 Cb 0.39 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1nmr h ALA 75 CO 0.01 -0.47 -0.24 -0.07 0.00 0.00 0.00 179.25 178.48 1nmr h LEU 76 N 0.01 0.00 0.21 0.00 3.38 -0.12 0.46 115.31 119.25 1nmr h LEU 76 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1nmr h LEU 76 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1nmr h LEU 76 CO -0.17 0.24 -0.10 -0.08 0.09 0.00 0.00 178.44 178.42 1nmr h GLU 77 N 0.00 -0.27 0.10 1.13 4.81 0.20 -3.36 114.58 117.18 1nmr h GLU 77 Ca -0.00 0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.08 1nmr h GLU 77 Cb 0.87 0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.32 1nmr h GLU 77 CO 0.03 0.12 -0.76 -0.24 -0.73 0.00 0.00 179.01 177.43 1nmr h VAL 78 N -0.84 1.47 -1.34 0.32 3.04 -0.97 -3.49 116.25 114.43 1nmr h VAL 78 Ca -0.03 -2.46 0.00 0.00 -1.01 0.00 0.00 66.70 63.20 1nmr h VAL 78 Cb 0.51 3.12 0.00 0.00 -2.01 0.00 0.00 31.29 32.92 1nmr h VAL 78 CO 0.05 0.67 0.00 -0.11 -1.01 0.00 0.00 177.57 177.17 1nmr n LEU 79 N -4.21 0.00 0.00 3.16 7.94 0.16 -2.30 117.00 121.76 1nmr n LEU 79 Ca -0.16 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.78 1nmr n LEU 79 Cb 0.76 0.00 0.20 0.00 0.53 0.00 0.00 43.42 44.90 1nmr n LEU 79 CO 0.43 -0.94 0.45 0.59 -1.11 0.00 0.00 177.39 176.80 1nmr n ASN 80 N -3.21 0.00 -1.29 1.96 4.13 -1.26 -3.66 115.26 111.93 1nmr n ASN 80 Ca 0.00 -0.15 0.00 0.00 1.68 0.00 0.00 54.58 56.11 1nmr n ASN 80 Cb 0.00 -0.04 0.00 0.00 -1.54 0.00 0.00 39.78 38.20 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 -1.04 0.40 0.06 3.52 1.74 -0.97 -3.68 116.66 116.69 1nmr n ARG 81 Ca 0.05 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.97 1nmr n ARG 81 Cb 0.03 -1.30 -0.07 0.00 -1.02 0.00 0.00 32.46 30.10 1nmr n ARG 81 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1nmr h HIS 82 N 1.80 0.72 -3.18 -1.55 2.76 -1.78 -3.46 115.15 110.46 1nmr h HIS 82 Ca 0.00 -0.40 -0.41 0.00 -2.20 0.00 0.00 60.37 57.36 1nmr h HIS 82 Cb 0.40 -0.08 0.21 0.00 1.55 0.00 0.00 27.41 29.49 1nmr h HIS 82 CO 0.14 1.23 -0.04 1.41 -1.30 0.00 0.00 177.93 179.38 1nmr s MET 83 N -3.24 -1.85 -0.54 5.26 0.00 -1.24 -4.98 119.30 112.71 1nmr s MET 83 Ca -0.07 0.44 -0.04 0.00 0.00 0.00 0.00 55.69 56.03 1nmr s MET 83 Cb 0.08 -1.48 0.14 0.00 0.00 0.00 0.00 34.83 33.58 1nmr s MET 83 CO 0.88 -4.24 0.36 -0.80 0.00 0.00 0.00 175.02 171.23 1nmr s ASN 84 N -2.91 5.33 0.00 1.11 -0.87 -1.26 -5.19 114.94 111.15 1nmr s ASN 84 Ca 0.69 -2.48 0.00 0.00 -1.57 0.00 0.00 52.86 49.49 1nmr s ASN 84 Cb -0.19 -1.87 0.00 0.00 -0.02 0.00 0.00 41.25 39.17 1nmr s ASN 84 CO 0.61 -0.46 0.43 0.55 -2.57 0.00 0.00 177.10 175.66