#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 6.34 0.07 1.61 1.04 -1.26 -5.00 113.70 116.50 1nmr s SER 2 Ca 0.00 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1nmr s SER 2 Cb 0.00 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 64.20 1nmr s SER 2 CO 0.00 -0.04 0.00 -1.20 0.98 0.00 0.00 173.24 172.98 1nmr n SER 3 N -0.98 -0.56 -3.33 7.02 7.64 -1.26 -4.97 113.62 117.19 1nmr n SER 3 Ca -0.07 0.14 -0.39 0.00 1.01 0.00 0.00 58.87 59.56 1nmr n SER 3 Cb 0.55 0.82 -0.03 0.00 -1.01 0.00 0.00 64.21 64.55 1nmr n SER 3 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1nmr n LEU 4 N -2.67 8.72 -2.77 -3.43 7.99 -1.26 -4.74 117.00 118.84 1nmr n LEU 4 Ca 0.00 -4.37 -0.29 0.00 -0.01 0.00 0.00 56.01 51.34 1nmr n LEU 4 Cb 0.00 -1.56 -0.06 0.00 -0.11 0.00 0.00 43.42 41.69 1nmr n LEU 4 CO 0.00 2.05 2.04 0.00 -1.51 0.00 0.00 177.39 179.97 1nmr n ALA 5 N 3.62 6.68 -2.03 -1.18 0.00 -1.26 -4.93 120.51 121.40 1nmr n ALA 5 Ca 0.78 -3.16 -0.19 0.00 0.00 0.00 0.00 53.44 50.87 1nmr n ALA 5 Cb 0.24 -2.50 0.02 0.00 0.00 0.00 0.00 19.45 17.20 1nmr n ALA 5 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nmr s SER 6 N 0.90 5.53 -0.43 0.00 0.15 -1.26 -5.01 113.70 113.57 1nmr s SER 6 Ca 0.61 -0.22 -0.27 0.00 0.70 0.00 0.00 55.95 56.77 1nmr s SER 6 Cb 0.29 -0.81 -0.03 0.00 -1.71 0.00 0.00 66.02 63.76 1nmr s SER 6 CO -0.12 -0.89 1.97 -1.10 1.20 0.00 0.00 173.24 174.30 1nmr s GLN 7 N -4.51 2.87 0.00 5.44 1.11 -1.26 -4.96 119.66 118.34 1nmr s GLN 7 Ca 0.55 1.24 0.00 0.00 0.01 0.00 0.00 55.36 57.16 1nmr s GLN 7 Cb -0.10 -4.35 0.00 0.00 -1.01 0.00 0.00 33.01 27.55 1nmr s GLN 7 CO 0.35 -2.41 0.00 0.41 0.01 0.00 0.00 175.29 173.65 1nmr n GLY 8 N 5.65 -0.17 3.58 3.09 0.00 -1.26 -4.84 105.19 111.24 1nmr n GLY 8 Ca 0.25 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 1nmr n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nmr s GLN 9 N 0.00 2.99 0.27 1.61 -1.52 -1.26 -4.84 119.66 116.90 1nmr s GLN 9 Ca 0.00 1.37 0.02 0.00 -1.95 0.00 0.00 55.36 54.80 1nmr s GLN 9 Cb 0.00 -4.32 0.36 0.00 -0.22 0.00 0.00 33.01 28.83 1nmr s GLN 9 CO 0.00 -2.27 1.67 -2.95 -0.25 0.00 0.00 175.29 171.49 1nmr h ASN 10 N 14.60 0.45 -0.60 5.90 7.08 -1.99 -3.09 115.58 137.92 1nmr h ASN 10 Ca -0.32 -0.18 0.09 0.00 -3.08 0.00 0.00 56.30 52.81 1nmr h ASN 10 Cb 1.19 -0.13 -0.07 0.00 -2.08 0.00 0.00 38.32 37.24 1nmr h ASN 10 CO 1.07 0.77 0.24 -0.07 -2.08 0.00 0.00 177.43 177.36 1nmr h LEU 11 N 0.37 0.26 -1.52 6.14 4.07 -1.86 0.06 115.31 122.84 1nmr h LEU 11 Ca 0.04 0.07 -0.05 0.00 0.08 0.00 0.00 57.88 58.02 1nmr h LEU 11 Cb 0.79 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.56 1nmr h LEU 11 CO 0.06 0.16 -0.24 0.28 -1.08 0.00 0.00 178.44 177.62 1nmr h SER 12 N 0.43 0.00 0.00 -0.43 0.02 -1.83 -3.30 113.55 108.45 1nmr h SER 12 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1nmr h SER 12 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1nmr h SER 12 CO -0.28 0.24 0.00 0.41 -1.14 0.00 0.00 176.83 176.06 1nmr n THR 13 N -3.86 0.00 -1.99 -2.27 -1.04 -0.04 -4.85 114.28 100.23 1nmr n THR 13 Ca -0.02 1.07 -0.28 0.00 -2.04 0.00 0.00 64.05 62.78 1nmr n THR 13 Cb 0.33 -2.00 0.07 0.00 -1.82 0.00 0.00 70.33 66.91 1nmr n THR 13 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1nmr s VAL 14 N -1.99 2.51 -1.13 12.58 0.11 -0.92 -4.91 120.40 126.64 1nmr s VAL 14 Ca 0.00 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1nmr s VAL 14 Cb 0.00 -3.14 0.00 0.00 -1.53 0.00 0.00 36.38 31.71 1nmr s VAL 14 CO 0.00 -0.18 0.27 0.18 -3.33 0.00 0.00 175.10 172.05 1nmr n LEU 15 N -3.12 0.42 -4.56 2.54 7.99 -1.26 -4.71 117.00 114.29 1nmr n LEU 15 Ca 0.07 -0.21 -0.25 0.00 -0.01 0.00 0.00 56.01 55.61 1nmr n LEU 15 Cb 0.60 -0.21 -0.06 0.00 -0.11 0.00 0.00 43.42 43.64 1nmr n LEU 15 CO 0.56 0.10 1.34 0.00 -1.51 0.00 0.00 177.39 177.89 1nmr s ALA 16 N -1.13 1.54 0.00 -1.18 0.00 -1.26 -4.57 121.76 115.16 1nmr s ALA 16 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1nmr s ALA 16 Cb 0.00 -4.58 0.00 0.00 0.00 0.00 0.00 23.12 18.54 1nmr s ALA 16 CO 0.00 -5.04 0.00 0.09 0.00 0.00 0.00 175.76 170.81 1nmr n ASN 17 N 14.68 0.00 -3.15 0.00 4.13 -1.26 -4.73 115.26 124.92 1nmr n ASN 17 Ca 0.42 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 56.42 1nmr n ASN 17 Cb 0.46 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.65 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 -1.73 3.29 -0.08 3.41 4.77 -1.26 -4.89 117.00 120.51 1nmr n LEU 18 Ca 0.00 -5.41 -0.16 0.00 -0.03 0.00 0.00 56.01 50.41 1nmr n LEU 18 Cb 0.00 -0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 40.70 1nmr n LEU 18 CO 0.00 2.22 -0.14 0.74 -1.33 0.00 0.00 177.39 178.89 1nmr h THR 19 N 2.66 1.08 0.00 -5.08 2.02 -1.93 -2.94 112.91 108.72 1nmr h THR 19 Ca 0.14 -2.04 -0.01 0.00 0.77 0.00 0.00 66.41 65.27 1nmr h THR 19 Cb 0.66 2.27 -0.00 0.00 -1.74 0.00 0.00 68.15 69.34 1nmr h THR 19 CO 0.74 0.37 -0.06 1.55 0.37 0.00 0.00 175.52 178.49 1nmr h PRO 20 N -1.00 0.00 0.00 6.66 0.13 -1.97 0.10 132.00 135.92 1nmr h PRO 20 Ca -0.16 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.87 1nmr h PRO 20 Cb 1.02 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1nmr h PRO 20 CO -0.10 0.06 -0.56 1.49 -0.23 0.00 0.00 178.00 178.66 1nmr h GLU 21 N 0.00 0.00 0.22 0.86 4.81 -1.94 -3.18 114.58 115.35 1nmr h GLU 21 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1nmr h GLU 21 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1nmr h GLU 21 CO 0.01 0.85 -0.11 1.96 -0.73 0.00 0.00 179.01 180.99 1nmr h GLN 22 N -1.00 -0.29 -0.58 1.92 1.08 -1.50 -3.01 115.11 111.73 1nmr h GLN 22 Ca -0.14 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.18 1nmr h GLN 22 Cb 1.01 0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 28.43 1nmr h GLN 22 CO -0.09 0.09 0.16 0.37 -0.95 0.00 0.00 178.83 178.40 1nmr h GLN 23 N -0.87 0.29 0.00 1.46 4.15 -0.99 0.27 115.11 119.42 1nmr h GLN 23 Ca -0.03 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 1nmr h GLN 23 Cb 0.51 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.13 1nmr h GLN 23 CO 0.05 0.19 -0.01 0.87 -1.93 0.00 0.00 178.83 178.00 1nmr h LYS 24 N 0.30 0.00 0.22 1.69 1.79 -1.63 -2.46 116.57 116.49 1nmr h LYS 24 Ca 0.30 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.76 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 -0.36 0.01 -0.11 -0.97 -1.08 0.00 0.00 179.45 176.95 1nmr h ASN 25 N 0.00 -0.25 -0.52 0.86 -0.73 -0.33 -2.93 115.58 111.68 1nmr h ASN 25 Ca -0.00 -0.27 0.07 0.00 1.87 0.00 0.00 56.30 57.96 1nmr h ASN 25 Cb 0.05 0.07 -0.06 0.00 0.27 0.00 0.00 38.32 38.65 1nmr h ASN 25 CO 0.00 0.24 0.21 1.62 -0.37 0.00 0.00 177.43 179.13 1nmr h VAL 26 N -0.87 0.86 -0.35 2.57 3.04 -1.17 -1.94 116.25 118.39 1nmr h VAL 26 Ca -0.03 -0.14 0.07 0.00 -1.01 0.00 0.00 66.70 65.59 1nmr h VAL 26 Cb 0.51 0.42 -0.09 0.00 -2.01 0.00 0.00 31.29 30.12 1nmr h VAL 26 CO 0.05 0.07 -0.36 0.25 -1.01 0.00 0.00 177.57 176.57 1nmr h LEU 27 N 0.40 -1.18 -0.77 3.16 5.85 -1.52 0.19 115.31 121.44 1nmr h LEU 27 Ca 0.24 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 59.15 1nmr h LEU 27 Cb 0.24 0.53 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1nmr h LEU 27 CO -0.23 -0.35 0.48 1.23 -0.34 0.00 0.00 178.44 179.23 1nmr h GLY 28 N -0.31 1.11 0.94 3.75 0.00 -1.25 0.44 103.07 107.74 1nmr h GLY 28 Ca 0.15 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 1nmr h GLY 28 CO -0.51 0.44 -0.23 0.83 0.00 0.00 0.00 176.54 177.07 1nmr h GLU 29 N 1.05 -0.61 0.00 4.80 4.39 -0.57 -1.25 114.58 122.39 1nmr h GLU 29 Ca 0.28 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1nmr h GLU 29 Cb -0.06 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1nmr h GLU 29 CO -0.05 -0.37 0.00 0.00 -1.16 0.00 0.00 179.01 177.43 1nmr h ARG 30 N -0.70 0.00 0.15 2.33 2.47 -0.52 -3.19 114.38 114.92 1nmr h ARG 30 Ca -0.06 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 1nmr h ARG 30 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1nmr h ARG 30 CO 0.11 0.00 -0.07 1.25 0.56 0.00 0.00 179.97 181.82 1nmr h LEU 31 N 0.00 -0.17 -1.65 3.04 5.85 0.46 -3.17 115.31 119.68 1nmr h LEU 31 Ca 0.00 0.01 0.31 0.00 0.84 0.00 0.00 57.88 59.03 1nmr h LEU 31 Cb 0.34 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 1nmr h LEU 31 CO 0.00 0.26 0.75 0.22 -0.34 0.00 0.00 178.44 179.34 1nmr h TYR 32 N -0.96 0.36 -0.22 1.25 5.03 -1.26 0.33 116.97 121.49 1nmr h TYR 32 Ca -0.02 0.01 -0.14 0.00 2.58 0.00 0.00 58.73 61.16 1nmr h TYR 32 Cb 0.15 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.32 1nmr h TYR 32 CO 0.00 0.02 -0.46 -0.97 -1.32 0.00 0.00 178.16 175.43 1nmr h ASN 33 N 0.20 0.62 -0.65 -2.11 -1.24 -1.66 1.95 115.58 112.70 1nmr h ASN 33 Ca 0.59 -0.30 -0.02 0.00 0.71 0.00 0.00 56.30 57.28 1nmr h ASN 33 Cb 1.88 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 40.73 1nmr h ASN 33 CO -0.17 0.99 0.31 1.12 -1.29 0.00 0.00 177.43 178.38 1nmr h HIS 34 N 0.46 0.93 0.00 0.67 2.07 -0.31 -3.24 115.15 115.73 1nmr h HIS 34 Ca 0.03 -0.05 -0.24 0.00 -2.85 0.00 0.00 60.37 57.26 1nmr h HIS 34 Cb 0.98 -0.29 -0.04 0.00 2.57 0.00 0.00 27.41 30.63 1nmr h HIS 34 CO 0.04 0.70 -1.97 1.51 -3.07 0.00 0.00 177.93 175.14 1nmr n ILE 35 N -4.48 1.13 -0.22 6.12 3.06 -1.04 -4.20 119.36 119.73 1nmr n ILE 35 Ca 0.05 -0.75 -0.01 0.00 -2.50 0.00 0.00 62.75 59.54 1nmr n ILE 35 Cb 0.13 -0.54 0.06 0.00 0.54 0.00 0.00 39.64 39.83 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 0.31 2.20 116.25 131.65 1nmr h VAL 36 Ca -0.32 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.36 1nmr h VAL 36 Cb 1.83 0.35 -0.00 0.00 -2.01 0.00 0.00 31.29 31.46 1nmr h VAL 36 CO 0.04 0.00 -0.06 0.00 -1.01 0.00 0.00 177.57 176.54 1nmr h ALA 37 N 1.61 1.00 0.00 3.17 0.00 -1.78 -3.05 119.26 120.21 1nmr h ALA 37 Ca 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1nmr h ALA 37 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1nmr h ALA 37 CO -0.66 0.07 -0.31 -0.89 0.00 0.00 0.00 179.25 177.46 1nmr n ILE 38 N -3.16 0.69 -3.72 0.00 2.08 0.22 -4.82 119.36 110.65 1nmr n ILE 38 Ca 0.01 0.35 -0.28 0.00 0.56 0.00 0.00 62.75 63.40 1nmr n ILE 38 Cb 0.38 -1.92 -0.11 0.00 -0.75 0.00 0.00 39.64 37.24 1nmr n ILE 38 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1nmr n ASN 39 N -3.40 2.70 -0.16 4.38 4.13 0.68 -4.94 115.26 118.65 1nmr n ASN 39 Ca -0.04 -3.15 0.28 0.00 1.68 0.00 0.00 54.58 53.34 1nmr n ASN 39 Cb 0.16 -0.71 0.72 0.00 -1.54 0.00 0.00 39.78 38.41 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 5.11 0.00 -1.62 3.52 0.11 -1.59 -1.47 132.00 136.07 1nmr h PRO 40 Ca 0.17 -0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.75 1nmr h PRO 40 Cb 0.75 -0.00 -0.20 0.00 0.11 0.00 0.00 31.00 31.66 1nmr h PRO 40 CO 0.70 0.00 0.62 0.00 -0.21 0.00 0.00 178.00 179.11 1nmr n ALA 41 N -2.71 6.02 0.00 -0.75 0.00 -1.26 -4.09 120.51 117.73 1nmr n ALA 41 Ca 0.18 -2.88 0.00 0.00 0.00 0.00 0.00 53.44 50.74 1nmr n ALA 41 Cb 0.93 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 0.08 0.04 -0.34 0.00 0.00 -0.58 -4.85 120.51 114.86 1nmr n ALA 42 Ca 0.47 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.93 1nmr n ALA 42 Cb 0.53 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.06 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 -1.41 0.05 -0.33 0.00 0.00 -1.04 0.15 120.51 117.93 1nmr n ALA 43 Ca 0.00 0.96 0.17 0.00 0.00 0.00 0.00 53.44 54.57 1nmr n ALA 43 Cb 0.00 -0.50 0.40 0.00 0.00 0.00 0.00 19.45 19.35 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 1.54 1.90 0.12 0.00 0.00 -1.89 1.07 119.26 122.00 1nmr h ALA 44 Ca 0.38 0.08 -0.22 0.00 0.00 0.00 0.00 54.91 55.14 1nmr h ALA 44 Cb 0.60 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1nmr h ALA 44 CO -0.92 -0.29 -1.05 0.87 0.00 0.00 0.00 179.25 177.86 1nmr h LYS 45 N 0.59 0.26 0.47 0.00 1.79 0.10 -3.01 116.57 116.77 1nmr h LYS 45 Ca 0.58 -0.45 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 1nmr h LYS 45 Cb 1.15 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.96 1nmr h LYS 45 CO -0.36 1.21 -0.31 0.28 -1.08 0.00 0.00 179.45 179.19 1nmr h VAL 46 N -0.38 0.35 -0.06 0.50 2.07 0.17 0.81 116.25 119.72 1nmr h VAL 46 Ca -0.21 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1nmr h VAL 46 Cb 1.66 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1nmr h VAL 46 CO 0.10 0.00 0.02 0.74 0.02 0.00 0.00 177.57 178.45 1nmr h THR 47 N -0.75 1.00 0.25 2.57 2.02 0.97 1.05 112.91 120.01 1nmr h THR 47 Ca -0.05 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1nmr h THR 47 Cb 0.63 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1nmr h THR 47 CO 0.03 0.01 -0.12 1.23 0.37 0.00 0.00 175.52 177.05 1nmr h GLY 48 N 0.06 -0.34 0.56 2.16 0.00 -1.47 -3.35 103.07 100.68 1nmr h GLY 48 Ca 0.02 0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1nmr h GLY 48 CO -0.02 -0.13 -0.01 -0.33 0.00 0.00 0.00 176.54 176.06 1nmr h MET 49 N -0.89 -0.03 0.00 4.80 2.07 0.59 -3.41 114.93 118.06 1nmr h MET 49 Ca -0.03 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 1nmr h MET 49 Cb 0.51 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.24 1nmr h MET 49 CO 0.06 0.41 0.00 -0.11 1.07 0.00 0.00 176.91 178.33 1nmr n LEU 50 N -4.89 0.00 -4.25 1.22 7.94 0.36 -3.56 117.00 113.81 1nmr n LEU 50 Ca -0.08 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.47 1nmr n LEU 50 Cb 0.23 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.13 1nmr n LEU 50 CO 0.33 0.00 1.78 0.18 -1.11 0.00 0.00 177.39 178.57 1nmr n LEU 51 N 0.00 3.71 0.00 -1.96 4.32 -1.26 -3.86 117.00 117.95 1nmr n LEU 51 Ca 0.00 -3.20 -0.18 0.00 -0.02 0.00 0.00 56.01 52.61 1nmr n LEU 51 Cb 0.00 -1.54 0.07 0.00 -1.62 0.00 0.00 43.42 40.33 1nmr n LEU 51 CO 0.00 -1.07 0.37 -0.62 -1.22 0.00 0.00 177.39 174.85 1nmr n GLU 52 N 7.82 0.47 0.28 3.23 -0.58 -1.23 -4.87 120.64 125.76 1nmr n GLU 52 Ca 0.47 -2.72 -0.12 0.00 -0.42 0.00 0.00 57.16 54.37 1nmr n GLU 52 Cb 0.44 -0.31 -0.06 0.00 -0.57 0.00 0.00 31.44 30.95 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 -0.73 0.00 3.49 2.86 -1.95 -3.02 114.93 115.58 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 1.12 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.94 1nmr h MET 53 CO 0.34 -0.49 0.00 -0.40 1.06 0.00 0.00 176.91 177.42 1nmr n ASP 54 N -4.92 0.00 -0.24 1.22 5.75 -1.26 -3.72 116.55 113.38 1nmr n ASP 54 Ca -0.09 0.17 0.32 0.00 -0.01 0.00 0.00 54.79 55.17 1nmr n ASP 54 Cb 0.30 -0.26 0.72 0.00 -1.03 0.00 0.00 41.12 40.84 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 0.62 -1.12 -0.00 -1.90 -1.95 115.58 111.23 1nmr h ASN 55 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.27 1nmr h ASN 55 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.33 1nmr h ASN 55 CO 0.00 0.00 -0.30 1.23 -0.00 0.00 0.00 177.43 178.36 1nmr h GLY 56 N 0.00 -0.88 -0.76 1.57 0.00 -1.63 -3.00 103.07 98.37 1nmr h GLY 56 Ca 0.50 0.32 0.14 0.00 0.00 0.00 0.00 47.33 48.29 1nmr h GLY 56 CO -0.01 -0.32 -0.21 1.18 0.00 0.00 0.00 176.54 177.18 1nmr n GLU 57 N -4.52 -0.09 -0.17 4.80 -0.58 -0.73 0.18 120.64 119.53 1nmr n GLU 57 Ca -0.10 1.18 -0.02 0.00 -0.42 0.00 0.00 57.16 57.79 1nmr n GLU 57 Cb 0.33 -1.75 0.07 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 0.76 -1.15 -3.67 5.03 -1.61 -1.63 117.51 115.23 1nmr h ILE 58 Ca 0.34 -0.10 0.40 0.00 -0.12 0.00 0.00 64.86 65.39 1nmr h ILE 58 Cb 0.53 0.44 -0.12 0.00 -3.03 0.00 0.00 36.82 34.63 1nmr h ILE 58 CO -0.77 0.05 0.73 0.00 -0.68 0.00 0.00 178.15 177.48 1nmr n LEU 59 N -5.07 0.19 0.03 1.44 -0.00 0.49 0.84 117.00 114.91 1nmr n LEU 59 Ca 0.06 1.21 0.21 0.00 -0.00 0.00 0.00 56.01 57.49 1nmr n LEU 59 Cb 0.24 -0.59 0.61 0.00 -0.00 0.00 0.00 43.42 43.67 1nmr n LEU 59 CO 0.22 -1.32 1.19 -1.13 -0.00 0.00 0.00 177.39 176.35 1nmr h ASN 60 N 0.00 0.00 -1.87 1.45 -0.00 -1.30 -0.81 115.58 113.05 1nmr h ASN 60 Ca 0.75 0.00 -0.63 0.00 -0.00 0.00 0.00 56.30 56.43 1nmr h ASN 60 Cb 2.38 0.00 -0.39 0.00 -0.00 0.00 0.00 38.32 40.31 1nmr h ASN 60 CO -0.42 0.00 -0.37 0.18 -0.00 0.00 0.00 177.43 176.81 1nmr n LEU 61 N -3.39 5.15 -2.08 0.34 4.77 0.25 -5.03 117.00 117.01 1nmr n LEU 61 Ca 0.11 -5.34 -0.10 0.00 -0.03 0.00 0.00 56.01 50.66 1nmr n LEU 61 Cb 0.93 -0.61 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 1nmr n LEU 61 CO 0.23 2.21 0.94 0.18 -1.33 0.00 0.00 177.39 179.63 1nmr n LEU 62 N -0.38 -0.70 -4.84 2.23 4.77 -0.31 -4.83 117.00 112.94 1nmr n LEU 62 Ca 0.39 -0.28 -0.21 0.00 -0.03 0.00 0.00 56.01 55.88 1nmr n LEU 62 Cb 0.50 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.30 1nmr n LEU 62 CO 0.37 -0.67 -0.08 -1.81 -1.33 0.00 0.00 177.39 173.87 1nmr s ASP 63 N 0.00 5.17 -0.07 -1.43 1.01 -1.26 -4.99 116.67 115.10 1nmr s ASP 63 Ca 0.58 -0.58 -0.22 0.00 0.71 0.00 0.00 52.55 53.04 1nmr s ASP 63 Cb -0.37 -0.87 -0.18 0.00 1.01 0.00 0.00 42.92 42.51 1nmr s ASP 63 CO 0.25 -0.40 0.86 0.74 0.21 0.00 0.00 175.17 176.82 1nmr h THR 64 N 1.24 1.08 0.10 -1.27 2.02 -1.98 -3.13 112.91 110.98 1nmr h THR 64 Ca -0.44 -1.38 -0.01 0.00 0.77 0.00 0.00 66.41 65.36 1nmr h THR 64 Cb 1.26 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 1nmr h THR 64 CO 0.59 0.30 -0.05 1.55 0.37 0.00 0.00 175.52 178.28 1nmr h PRO 65 N -0.84 -0.14 -0.36 6.66 0.13 -1.97 -3.02 132.00 132.46 1nmr h PRO 65 Ca -0.01 0.01 0.05 0.00 -0.87 0.00 0.00 66.00 65.17 1nmr h PRO 65 Cb 0.59 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 31.67 1nmr h PRO 65 CO 0.02 -0.09 -0.56 0.78 -0.23 0.00 0.00 178.00 177.92 1nmr h GLY 66 N -0.62 -1.02 0.00 1.56 0.00 -1.96 0.36 103.07 101.39 1nmr h GLY 66 Ca -0.01 0.71 0.00 0.00 0.00 0.00 0.00 47.33 48.03 1nmr h GLY 66 CO 0.02 -0.13 0.00 -0.10 0.00 0.00 0.00 176.54 176.33 1nmr n LEU 67 N -5.39 0.00 -0.26 3.11 -0.00 -1.18 0.81 117.00 114.09 1nmr n LEU 67 Ca -0.04 0.94 0.33 0.00 -0.00 0.00 0.00 56.01 57.24 1nmr n LEU 67 Cb 0.35 -0.44 0.70 0.00 -0.00 0.00 0.00 43.42 44.03 1nmr n LEU 67 CO 0.02 -0.44 1.30 -0.07 -0.00 0.00 0.00 177.39 178.20 1nmr h LEU 68 N 0.00 0.00 0.00 -1.96 4.07 -1.48 1.04 115.31 116.97 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 -0.14 -0.78 -1.08 0.00 0.00 178.44 176.44 1nmr h ASP 69 N 0.00 0.00 0.49 -0.43 1.82 0.16 -3.14 116.42 115.33 1nmr h ASP 69 Ca 0.52 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.16 1nmr h ASP 69 Cb 2.33 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.34 1nmr h ASP 69 CO -0.01 0.54 0.00 0.00 -1.61 0.00 0.00 179.24 178.16 1nmr n ALA 70 N -2.97 1.49 -0.03 -0.78 0.00 0.24 -1.86 120.51 116.61 1nmr n ALA 70 Ca -0.02 0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.42 1nmr n ALA 70 Cb 0.07 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.13 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 -0.06 -0.25 0.00 1.79 0.97 -2.39 116.57 116.62 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 0.25 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 1nmr h LYS 71 CO 0.00 0.42 0.00 -0.39 -1.08 0.00 0.00 179.45 178.41 1nmr h VAL 72 N -0.97 1.25 0.45 0.50 -1.51 -1.48 -2.69 116.25 111.81 1nmr h VAL 72 Ca -0.01 -0.90 -0.02 0.00 -1.23 0.00 0.00 66.70 64.55 1nmr h VAL 72 Cb 0.51 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.02 1nmr h VAL 72 CO 0.01 0.28 -0.22 1.56 -1.23 0.00 0.00 177.57 177.98 1nmr h GLN 73 N 0.23 -0.59 -1.00 5.19 1.08 -1.53 0.48 115.11 118.97 1nmr h GLN 73 Ca 0.07 0.04 0.16 0.00 -1.45 0.00 0.00 58.65 57.47 1nmr h GLN 73 Cb 0.41 0.13 -0.10 0.00 -0.05 0.00 0.00 27.48 27.87 1nmr h GLN 73 CO 0.01 -0.35 0.62 1.49 -0.95 0.00 0.00 178.83 179.66 1nmr h GLU 74 N -0.70 0.82 0.09 1.46 4.22 -1.48 1.06 114.58 120.05 1nmr h GLU 74 Ca -0.06 -0.05 -0.26 0.00 0.08 0.00 0.00 59.36 59.07 1nmr h GLU 74 Cb 0.51 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.58 1nmr h GLU 74 CO 0.10 0.54 -1.15 0.00 -2.18 0.00 0.00 179.01 176.33 1nmr h ALA 75 N 1.60 0.18 -0.04 2.92 0.00 -1.31 -2.09 119.26 120.53 1nmr h ALA 75 Ca 0.54 -0.82 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 1nmr h ALA 75 Cb 0.74 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1nmr h ALA 75 CO -0.33 0.91 -0.77 -0.07 0.00 0.00 0.00 179.25 178.98 1nmr h LEU 76 N 0.13 0.35 -0.23 0.00 3.38 0.12 1.10 115.31 120.16 1nmr h LEU 76 Ca -0.12 -0.24 -0.22 0.00 0.09 0.00 0.00 57.88 57.39 1nmr h LEU 76 Cb 1.84 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 42.50 1nmr h LEU 76 CO 0.19 0.99 -0.83 -0.08 0.09 0.00 0.00 178.44 178.81 1nmr h GLU 77 N 0.18 0.58 0.13 1.13 4.57 0.10 -3.32 114.58 117.95 1nmr h GLU 77 Ca -0.03 -0.52 -0.30 0.00 -1.18 0.00 0.00 59.36 57.33 1nmr h GLU 77 Cb 1.36 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 30.06 1nmr h GLU 77 CO 0.12 1.14 -1.56 -0.24 -1.18 0.00 0.00 179.01 177.29 1nmr h VAL 78 N 0.38 0.95 -1.57 0.32 3.04 -1.36 -3.50 116.25 114.50 1nmr h VAL 78 Ca -0.06 -2.41 0.05 0.00 -1.01 0.00 0.00 66.70 63.28 1nmr h VAL 78 Cb 1.44 2.68 -0.01 0.00 -2.01 0.00 0.00 31.29 33.38 1nmr h VAL 78 CO 0.15 0.75 -0.07 -0.11 -1.01 0.00 0.00 177.57 177.28 1nmr n LEU 79 N -3.81 0.00 0.00 3.16 0.00 0.38 -2.58 117.00 114.15 1nmr n LEU 79 Ca -0.26 0.21 0.01 0.00 0.00 0.00 0.00 56.01 55.97 1nmr n LEU 79 Cb 0.95 -0.61 0.06 0.00 0.00 0.00 0.00 43.42 43.82 1nmr n LEU 79 CO 0.43 -1.23 0.34 0.59 0.00 0.00 0.00 177.39 177.52 1nmr n ASN 80 N -3.50 0.00 -0.36 1.96 4.13 -1.26 -3.18 115.26 113.05 1nmr n ASN 80 Ca 0.00 0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.27 1nmr n ASN 80 Cb 0.09 -0.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.26 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 -1.07 0.28 -2.06 3.52 1.74 -1.06 -4.55 116.66 113.46 1nmr n ARG 81 Ca 0.02 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.75 1nmr n ARG 81 Cb 0.01 -1.10 -0.04 0.00 -1.02 0.00 0.00 32.46 30.31 1nmr n ARG 81 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1nmr n HIS 82 N 0.11 3.15 -3.70 -1.55 8.25 -1.19 -4.81 115.22 115.49 1nmr n HIS 82 Ca 0.00 -1.94 -0.06 0.00 -0.26 0.00 0.00 57.72 55.46 1nmr n HIS 82 Cb 0.05 -2.50 -0.02 0.00 1.12 0.00 0.00 29.99 28.64 1nmr n HIS 82 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1nmr s MET 83 N 5.52 1.23 0.07 -0.41 0.00 -1.26 -5.05 119.30 119.41 1nmr s MET 83 Ca 0.62 -0.64 -0.03 0.00 0.00 0.00 0.00 55.69 55.65 1nmr s MET 83 Cb 0.03 0.45 -0.28 0.00 0.00 0.00 0.00 34.83 35.04 1nmr s MET 83 CO 0.11 -0.56 1.13 -0.91 0.00 0.00 0.00 175.02 174.79 1nmr h ASN 84 N 2.00 0.37 -0.02 1.11 -0.26 -2.01 -3.55 115.58 113.23 1nmr h ASN 84 Ca -0.24 -0.41 0.00 0.00 -0.56 0.00 0.00 56.30 55.10 1nmr h ASN 84 Cb 1.24 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 38.38 1nmr h ASN 84 CO 0.27 1.32 0.00 0.52 -1.06 0.00 0.00 177.43 178.48