#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 -3.71 -3.98 1.61 2.88 -1.26 -5.02 113.62 104.13 1nmr n SER 2 Ca 0.00 -0.43 -0.27 0.00 -1.33 0.00 0.00 58.87 56.84 1nmr n SER 2 Cb 0.00 -3.93 -0.17 0.00 -0.75 0.00 0.00 64.21 59.37 1nmr n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1nmr s SER 3 N -3.62 2.20 -1.03 -3.46 0.15 -1.26 -5.07 113.70 101.62 1nmr s SER 3 Ca 0.23 -0.35 -0.23 0.00 0.70 0.00 0.00 55.95 56.29 1nmr s SER 3 Cb -0.10 -0.94 0.01 0.00 -1.71 0.00 0.00 66.02 63.28 1nmr s SER 3 CO 0.55 -0.04 1.67 -0.76 1.20 0.00 0.00 173.24 175.85 1nmr s LEU 4 N 1.26 3.41 0.52 3.45 1.43 -1.26 -4.97 118.68 122.52 1nmr s LEU 4 Ca -0.02 -1.35 -0.17 0.00 -1.03 0.00 0.00 54.13 51.56 1nmr s LEU 4 Cb -0.14 -2.57 -0.07 0.00 0.03 0.00 0.00 46.19 43.44 1nmr s LEU 4 CO -0.04 -1.95 1.00 0.00 0.23 0.00 0.00 176.35 175.59 1nmr s ALA 5 N 6.84 2.98 0.48 4.21 0.00 -1.26 -5.07 121.76 129.95 1nmr s ALA 5 Ca 0.56 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.82 1nmr s ALA 5 Cb -0.02 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.97 1nmr s ALA 5 CO -0.04 -0.33 0.68 -1.54 0.00 0.00 0.00 175.76 174.53 1nmr s SER 6 N -2.87 5.55 -0.50 0.00 1.04 -1.26 -5.00 113.70 110.67 1nmr s SER 6 Ca 0.61 -0.04 -0.27 0.00 0.48 0.00 0.00 55.95 56.73 1nmr s SER 6 Cb -0.12 -1.02 -0.04 0.00 0.10 0.00 0.00 66.02 64.94 1nmr s SER 6 CO 0.30 -0.89 2.06 -1.58 0.98 0.00 0.00 173.24 174.11 1nmr s GLN 7 N -4.57 2.61 -0.33 4.02 0.74 -1.26 -4.94 119.66 115.93 1nmr s GLN 7 Ca 0.53 1.11 -0.09 0.00 0.05 0.00 0.00 55.36 56.97 1nmr s GLN 7 Cb -0.10 -4.42 0.01 0.00 1.10 0.00 0.00 33.01 29.60 1nmr s GLN 7 CO 0.36 -2.72 0.15 0.20 -0.55 0.00 0.00 175.29 172.74 1nmr s GLY 8 N 9.11 1.87 0.00 2.59 0.00 -1.26 -4.94 107.32 114.69 1nmr s GLY 8 Ca 0.82 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 44.02 1nmr s GLY 8 CO 0.26 0.73 0.68 0.61 0.00 0.00 0.00 173.10 175.38 1nmr n GLN 9 N 4.95 0.86 0.00 2.90 10.64 -1.26 -3.50 117.38 131.97 1nmr n GLN 9 Ca -0.13 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.15 1nmr n GLN 9 Cb 0.48 -1.18 0.50 0.00 -0.86 0.00 0.00 30.24 29.18 1nmr n GLN 9 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 1nmr n ASN 10 N -0.26 0.00 0.09 2.61 6.94 -1.26 -3.01 115.26 120.37 1nmr n ASN 10 Ca 0.00 0.46 -0.06 0.00 -0.02 0.00 0.00 54.58 54.96 1nmr n ASN 10 Cb 0.09 -0.48 0.03 0.00 -2.36 0.00 0.00 39.78 37.06 1nmr n ASN 10 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1nmr h LEU 11 N 0.00 0.16 0.15 -4.53 3.38 -2.01 -3.14 115.31 109.33 1nmr h LEU 11 Ca 0.00 -0.13 -0.34 0.00 0.09 0.00 0.00 57.88 57.51 1nmr h LEU 11 Cb 0.38 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1nmr h LEU 11 CO 0.00 0.90 -1.72 0.28 0.09 0.00 0.00 178.44 177.99 1nmr h SER 12 N 0.08 0.50 0.14 -0.43 0.02 -1.84 -2.72 113.55 109.30 1nmr h SER 12 Ca -0.03 -0.78 -0.01 0.00 -0.84 0.00 0.00 61.79 60.13 1nmr h SER 12 Cb 1.41 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 1nmr h SER 12 CO 0.12 1.67 -0.06 0.00 -1.14 0.00 0.00 176.83 177.41 1nmr h THR 13 N 0.09 0.66 0.10 -2.27 1.03 -1.63 0.38 112.91 111.26 1nmr h THR 13 Ca -0.32 -0.25 -0.36 0.00 -0.01 0.00 0.00 66.41 65.47 1nmr h THR 13 Cb 2.07 1.15 -0.03 0.00 -1.07 0.00 0.00 68.15 70.27 1nmr h THR 13 CO 0.16 0.06 -2.02 0.55 -0.01 0.00 0.00 175.52 174.26 1nmr n VAL 14 N -3.90 1.72 0.83 0.00 3.14 -1.19 -4.05 118.33 114.87 1nmr n VAL 14 Ca -0.03 -0.59 0.11 0.00 -2.96 0.00 0.00 64.34 60.88 1nmr n VAL 14 Cb 0.15 -1.72 0.50 0.00 -1.06 0.00 0.00 33.84 31.72 1nmr n VAL 14 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1nmr n LEU 15 N -3.55 0.00 -3.38 6.55 7.94 -1.02 -4.38 117.00 119.16 1nmr n LEU 15 Ca -0.34 0.48 -0.31 0.00 -1.11 0.00 0.00 56.01 54.72 1nmr n LEU 15 Cb 1.01 -0.48 -0.04 0.00 0.53 0.00 0.00 43.42 44.44 1nmr n LEU 15 CO 0.38 -0.10 2.12 0.00 -1.11 0.00 0.00 177.39 178.68 1nmr n ALA 16 N -1.48 3.64 0.05 1.96 0.00 0.13 -3.92 120.51 120.90 1nmr n ALA 16 Ca 0.06 -2.50 0.00 0.00 0.00 0.00 0.00 53.44 51.01 1nmr n ALA 16 Cb 0.26 -3.29 0.00 0.00 0.00 0.00 0.00 19.45 16.42 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 5.97 0.47 -3.81 0.00 3.02 -1.26 -5.00 115.26 114.66 1nmr n ASN 17 Ca 0.44 0.17 -0.29 0.00 -0.03 0.00 0.00 54.58 54.87 1nmr n ASN 17 Cb 0.26 -0.07 -0.13 0.00 -0.61 0.00 0.00 39.78 39.24 1nmr n ASN 17 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1nmr s LEU 18 N -6.32 3.63 -0.15 3.41 1.43 -1.25 -4.96 118.68 114.47 1nmr s LEU 18 Ca 0.00 -3.10 -0.19 0.00 -1.03 0.00 0.00 54.13 49.81 1nmr s LEU 18 Cb 0.00 -1.33 -0.17 0.00 0.03 0.00 0.00 46.19 44.73 1nmr s LEU 18 CO 0.00 -0.20 0.37 0.74 0.23 0.00 0.00 176.35 177.49 1nmr h THR 19 N 5.05 1.02 -0.09 5.49 2.02 -1.95 -3.17 112.91 121.28 1nmr h THR 19 Ca 0.03 -1.90 -0.09 0.00 0.77 0.00 0.00 66.41 65.22 1nmr h THR 19 Cb 0.87 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 1nmr h THR 19 CO 0.60 0.35 -0.36 1.55 0.37 0.00 0.00 175.52 178.02 1nmr h PRO 20 N -1.00 0.19 -0.20 6.66 0.13 -1.97 0.22 132.00 136.03 1nmr h PRO 20 Ca -0.10 -0.08 -0.07 0.00 -0.87 0.00 0.00 66.00 64.89 1nmr h PRO 20 Cb 0.84 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 1nmr h PRO 20 CO -0.06 0.53 -0.14 1.49 -0.23 0.00 0.00 178.00 179.60 1nmr h GLU 21 N 0.16 0.44 0.00 0.86 4.81 -1.97 -2.02 114.58 116.87 1nmr h GLU 21 Ca 0.02 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1nmr h GLU 21 Cb 0.72 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1nmr h GLU 21 CO 0.05 0.76 -0.00 1.96 -0.73 0.00 0.00 179.01 181.05 1nmr h GLN 22 N 0.13 -0.00 -0.85 1.92 1.08 -1.51 -3.06 115.11 112.81 1nmr h GLN 22 Ca 0.04 0.00 0.19 0.00 -1.45 0.00 0.00 58.65 57.43 1nmr h GLN 22 Cb 0.65 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.02 1nmr h GLN 22 CO 0.04 0.74 0.57 0.37 -0.95 0.00 0.00 178.83 179.60 1nmr h GLN 23 N -0.75 0.36 -0.36 1.46 4.15 -0.64 0.27 115.11 119.60 1nmr h GLN 23 Ca -0.00 -0.02 -0.16 0.00 0.77 0.00 0.00 58.65 59.24 1nmr h GLN 23 Cb 0.75 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 1nmr h GLN 23 CO 0.00 0.24 -0.42 0.87 -1.93 0.00 0.00 178.83 177.59 1nmr h LYS 24 N 0.37 0.90 -0.12 1.69 1.79 -1.39 -3.09 116.57 116.71 1nmr h LYS 24 Ca 0.43 -0.49 0.05 0.00 -2.18 0.00 0.00 60.65 58.46 1nmr h LYS 24 Cb 1.12 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.74 1nmr h LYS 24 CO -0.14 1.14 -0.24 -0.91 -1.08 0.00 0.00 179.45 178.22 1nmr h ASN 25 N 0.73 -0.74 -0.67 0.86 4.21 -0.83 0.97 115.58 120.12 1nmr h ASN 25 Ca 0.05 0.12 0.05 0.00 1.21 0.00 0.00 56.30 57.73 1nmr h ASN 25 Cb 1.01 0.33 -0.05 0.00 -1.12 0.00 0.00 38.32 38.49 1nmr h ASN 25 CO 0.10 -0.29 0.39 1.62 -1.29 0.00 0.00 177.43 177.96 1nmr h VAL 26 N -0.31 1.01 0.06 2.81 3.04 -1.56 -1.01 116.25 120.30 1nmr h VAL 26 Ca 0.10 -0.25 -0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1nmr h VAL 26 Cb 0.45 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 29.95 1nmr h VAL 26 CO -0.30 0.13 -0.03 -0.07 -1.01 0.00 0.00 177.57 176.29 1nmr h LEU 27 N 0.73 -0.07 -0.94 3.16 3.38 -1.32 -1.39 115.31 118.86 1nmr h LEU 27 Ca 0.29 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.20 1nmr h LEU 27 Cb 0.12 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1nmr h LEU 27 CO -0.15 0.02 0.62 1.23 0.09 0.00 0.00 178.44 180.24 1nmr h GLY 28 N -0.16 1.33 0.85 0.83 0.00 -0.51 0.61 103.07 106.02 1nmr h GLY 28 Ca -0.01 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1nmr h GLY 28 CO 0.01 0.49 -0.09 0.83 0.00 0.00 0.00 176.54 177.79 1nmr h GLU 29 N 1.28 -0.23 0.00 4.80 4.39 -1.06 -1.33 114.58 122.43 1nmr h GLU 29 Ca 0.34 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.06 1nmr h GLU 29 Cb -0.14 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1nmr h GLU 29 CO -0.07 -0.03 0.00 0.54 -1.16 0.00 0.00 179.01 178.28 1nmr n ARG 30 N -5.13 0.21 0.01 2.33 5.12 -0.53 -3.14 116.66 115.52 1nmr n ARG 30 Ca -0.09 0.42 -0.02 0.00 -1.93 0.00 0.00 57.85 56.23 1nmr n ARG 30 Cb 0.17 -1.89 -0.01 0.00 -1.16 0.00 0.00 32.46 29.57 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 -0.10 -1.64 0.55 5.85 0.76 -3.22 115.31 117.51 1nmr h LEU 31 Ca 0.00 0.00 0.27 0.00 0.84 0.00 0.00 57.88 58.99 1nmr h LEU 31 Cb 0.40 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.39 1nmr h LEU 31 CO 0.00 0.33 0.69 0.22 -0.34 0.00 0.00 178.44 179.34 1nmr h TYR 32 N -0.92 0.38 -0.59 1.25 5.03 -1.30 0.28 116.97 121.10 1nmr h TYR 32 Ca -0.01 0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.22 1nmr h TYR 32 Cb 0.09 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.24 1nmr h TYR 32 CO 0.00 0.05 -0.00 -0.97 -1.32 0.00 0.00 178.16 175.92 1nmr h ASN 33 N 0.24 1.03 -0.74 -2.11 -1.24 -1.65 2.40 115.58 113.50 1nmr h ASN 33 Ca 0.53 -0.31 -0.04 0.00 0.71 0.00 0.00 56.30 57.20 1nmr h ASN 33 Cb 1.65 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 40.39 1nmr h ASN 33 CO -0.16 1.08 0.32 1.12 -1.29 0.00 0.00 177.43 178.50 1nmr h HIS 34 N 0.94 1.11 0.00 0.67 2.07 -0.95 -3.17 115.15 115.82 1nmr h HIS 34 Ca 0.17 -0.07 0.00 0.00 -2.85 0.00 0.00 60.37 57.62 1nmr h HIS 34 Cb 0.56 -0.34 0.00 0.00 2.57 0.00 0.00 27.41 30.20 1nmr h HIS 34 CO 0.04 0.84 -1.58 1.51 -3.07 0.00 0.00 177.93 175.67 1nmr n ILE 35 N -4.36 0.20 0.05 6.12 3.06 -1.09 -4.01 119.36 119.33 1nmr n ILE 35 Ca 0.06 -0.48 -0.11 0.00 -2.50 0.00 0.00 62.75 59.72 1nmr n ILE 35 Cb 0.16 -0.05 -0.05 0.00 0.54 0.00 0.00 39.64 40.24 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 0.78 0.00 9.51 3.04 0.41 2.06 116.25 132.06 1nmr h VAL 36 Ca 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.64 1nmr h VAL 36 Cb 0.96 0.78 -0.01 0.00 -2.01 0.00 0.00 31.29 31.02 1nmr h VAL 36 CO 0.00 0.00 -0.25 0.00 -1.01 0.00 0.00 177.57 176.31 1nmr h ALA 37 N 0.85 0.99 0.00 3.17 0.00 -1.78 -3.00 119.26 119.50 1nmr h ALA 37 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1nmr h ALA 37 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1nmr h ALA 37 CO -0.09 0.31 -0.33 0.82 0.00 0.00 0.00 179.25 179.95 1nmr h ILE 38 N 0.00 0.00 -3.01 0.00 5.03 -1.49 -3.44 117.51 114.59 1nmr h ILE 38 Ca -0.00 -0.69 -0.62 0.00 -0.12 0.00 0.00 64.86 63.43 1nmr h ILE 38 Cb 0.81 0.00 -0.41 0.00 -3.03 0.00 0.00 36.82 34.19 1nmr h ILE 38 CO 0.03 0.00 -0.64 0.21 -0.68 0.00 0.00 178.15 177.08 1nmr s ASN 39 N -5.03 4.29 0.39 1.72 3.04 0.69 -4.95 114.94 115.09 1nmr s ASN 39 Ca -0.10 -3.64 0.13 0.00 0.04 0.00 0.00 52.86 49.30 1nmr s ASN 39 Cb 0.01 -1.45 0.96 0.00 -1.54 0.00 0.00 41.25 39.23 1nmr s ASN 39 CO 0.14 -0.11 1.86 -0.65 -3.04 0.00 0.00 177.10 175.30 1nmr h PRO 40 N 5.57 0.52 -1.90 0.43 0.11 -1.51 -1.83 132.00 133.38 1nmr h PRO 40 Ca 0.14 -0.03 -0.56 0.00 0.11 0.00 0.00 66.00 65.66 1nmr h PRO 40 Cb 0.79 -0.12 -0.20 0.00 0.11 0.00 0.00 31.00 31.58 1nmr h PRO 40 CO 0.66 0.35 0.58 0.00 -0.21 0.00 0.00 178.00 179.37 1nmr n ALA 41 N -2.47 6.35 0.00 -0.75 0.00 -1.26 -4.06 120.51 118.31 1nmr n ALA 41 Ca 0.18 -3.20 0.00 0.00 0.00 0.00 0.00 53.44 50.43 1nmr n ALA 41 Cb 0.58 -2.02 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 0.40 0.06 -0.31 0.00 0.00 -0.73 -4.73 120.51 115.19 1nmr n ALA 42 Ca 0.49 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.98 1nmr n ALA 42 Cb 0.48 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.95 0.19 -0.25 0.00 0.00 -0.93 0.16 120.51 117.72 1nmr n ALA 43 Ca 0.00 0.94 0.04 0.00 0.00 0.00 0.00 53.44 54.42 1nmr n ALA 43 Cb 0.00 -0.56 0.17 0.00 0.00 0.00 0.00 19.45 19.06 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 1.70 1.05 -0.13 0.00 0.00 -1.88 0.91 119.26 120.91 1nmr h ALA 44 Ca 0.41 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.36 1nmr h ALA 44 Cb 0.62 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1nmr h ALA 44 CO -0.89 -0.15 -0.13 0.87 0.00 0.00 0.00 179.25 178.96 1nmr h LYS 45 N 0.51 0.32 0.50 0.00 1.79 0.12 -2.33 116.57 117.47 1nmr h LYS 45 Ca 0.39 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.67 1nmr h LYS 45 Cb 0.54 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1nmr h LYS 45 CO -0.35 0.71 -0.24 0.28 -1.08 0.00 0.00 179.45 178.77 1nmr h VAL 46 N -0.07 0.49 -0.12 0.50 2.07 0.11 0.35 116.25 119.59 1nmr h VAL 46 Ca 0.02 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.43 1nmr h VAL 46 Cb 0.66 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1nmr h VAL 46 CO 0.03 0.03 -0.23 0.74 0.02 0.00 0.00 177.57 178.16 1nmr h THR 47 N -0.77 0.44 0.27 2.57 2.02 0.73 2.00 112.91 120.17 1nmr h THR 47 Ca -0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1nmr h THR 47 Cb 0.56 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1nmr h THR 47 CO 0.11 0.00 -0.13 1.23 0.37 0.00 0.00 175.52 177.10 1nmr h GLY 48 N -0.30 -0.37 0.62 2.16 0.00 -1.42 -3.35 103.07 100.41 1nmr h GLY 48 Ca 0.10 0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 1nmr h GLY 48 CO -0.29 -0.14 -0.03 -0.33 0.00 0.00 0.00 176.54 175.75 1nmr h MET 49 N -0.88 0.11 0.00 4.80 2.07 -0.30 -3.41 114.93 117.32 1nmr h MET 49 Ca -0.04 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.54 1nmr h MET 49 Cb 0.51 -0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.24 1nmr h MET 49 CO 0.06 0.52 0.00 -0.11 1.07 0.00 0.00 176.91 178.45 1nmr n LEU 50 N -4.79 0.00 -3.40 1.22 7.94 0.68 -2.66 117.00 115.99 1nmr n LEU 50 Ca -0.07 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.50 1nmr n LEU 50 Cb 0.26 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.18 1nmr n LEU 50 CO 0.35 0.00 2.34 0.18 -1.11 0.00 0.00 177.39 179.15 1nmr n LEU 51 N 0.00 4.96 -4.96 -1.96 4.77 -1.26 -3.54 117.00 115.00 1nmr n LEU 51 Ca 0.00 -3.07 -0.26 0.00 -0.03 0.00 0.00 56.01 52.65 1nmr n LEU 51 Cb 0.00 -1.17 0.14 0.00 -2.33 0.00 0.00 43.42 40.06 1nmr n LEU 51 CO 0.00 0.35 0.69 -1.61 -1.33 0.00 0.00 177.39 175.49 1nmr s GLU 52 N 3.96 1.27 0.03 3.23 2.02 -1.09 -4.86 118.70 123.27 1nmr s GLU 52 Ca 0.49 -0.78 -0.28 0.00 0.02 0.00 0.00 54.97 54.42 1nmr s GLU 52 Cb 0.13 -2.12 -0.15 0.00 0.10 0.00 0.00 34.13 32.08 1nmr s GLU 52 CO 0.02 -1.85 1.27 0.52 0.02 0.00 0.00 175.26 175.24 1nmr h MET 53 N -1.00 -0.96 0.00 1.61 2.86 -1.93 -3.06 114.93 112.44 1nmr h MET 53 Ca -0.40 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 1nmr h MET 53 Cb 1.26 0.22 0.00 0.00 0.06 0.00 0.00 31.60 33.13 1nmr h MET 53 CO 0.40 -0.64 0.00 -3.47 1.06 0.00 0.00 176.91 174.26 1nmr n ASP 54 N -5.04 0.00 -0.49 1.22 2.03 -1.26 -3.73 116.55 109.29 1nmr n ASP 54 Ca -0.12 0.13 0.42 0.00 0.52 0.00 0.00 54.79 55.74 1nmr n ASP 54 Cb 0.39 -0.37 0.77 0.00 -0.72 0.00 0.00 41.12 41.19 1nmr n ASP 54 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1nmr h ASN 55 N 0.00 0.03 0.52 1.67 -0.00 -1.91 0.34 115.58 116.23 1nmr h ASN 55 Ca 0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 56.30 56.29 1nmr h ASN 55 Cb 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 38.32 38.33 1nmr h ASN 55 CO 0.00 -0.01 -0.25 1.23 -0.00 0.00 0.00 177.43 178.40 1nmr h GLY 56 N 0.02 -0.73 -0.68 1.57 0.00 -1.58 -3.20 103.07 98.47 1nmr h GLY 56 Ca 0.73 0.27 0.10 0.00 0.00 0.00 0.00 47.33 48.43 1nmr h GLY 56 CO -0.04 -0.26 -0.29 1.18 0.00 0.00 0.00 176.54 177.13 1nmr n GLU 57 N -5.27 -0.18 -0.21 4.80 -0.58 0.11 0.18 120.64 119.49 1nmr n GLU 57 Ca -0.10 1.05 0.01 0.00 -0.42 0.00 0.00 57.16 57.69 1nmr n GLU 57 Cb 0.31 -1.56 0.12 0.00 -0.57 0.00 0.00 31.44 29.75 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 0.77 -1.41 -3.67 2.04 -1.63 -1.74 117.51 111.88 1nmr h ILE 58 Ca 0.22 -0.15 0.45 0.00 1.00 0.00 0.00 64.86 66.38 1nmr h ILE 58 Cb 0.39 0.29 -0.11 0.00 -0.74 0.00 0.00 36.82 36.66 1nmr h ILE 58 CO -0.67 0.08 0.95 0.00 0.00 0.00 0.00 178.15 178.51 1nmr n LEU 59 N -4.98 0.13 -0.00 1.44 -0.00 0.49 0.33 117.00 114.40 1nmr n LEU 59 Ca 0.09 1.12 0.22 0.00 -0.00 0.00 0.00 56.01 57.44 1nmr n LEU 59 Cb 0.28 -0.55 0.55 0.00 -0.00 0.00 0.00 43.42 43.70 1nmr n LEU 59 CO 0.22 -1.19 1.20 -1.13 -0.00 0.00 0.00 177.39 176.49 1nmr h ASN 60 N 0.00 0.00 -2.02 1.45 -0.73 -1.32 -0.70 115.58 112.26 1nmr h ASN 60 Ca 0.80 0.00 -0.66 0.00 1.87 0.00 0.00 56.30 58.32 1nmr h ASN 60 Cb 2.81 0.00 -0.37 0.00 0.27 0.00 0.00 38.32 41.03 1nmr h ASN 60 CO -0.28 0.00 -0.12 0.18 -0.37 0.00 0.00 177.43 176.84 1nmr n LEU 61 N -3.31 5.51 -1.98 0.34 4.77 0.15 -5.03 117.00 117.45 1nmr n LEU 61 Ca 0.13 -5.38 -0.12 0.00 -0.03 0.00 0.00 56.01 50.61 1nmr n LEU 61 Cb 1.05 -0.71 -0.09 0.00 -2.33 0.00 0.00 43.42 41.33 1nmr n LEU 61 CO 0.22 2.19 0.94 0.18 -1.33 0.00 0.00 177.39 179.58 1nmr n LEU 62 N -0.32 -0.41 -4.62 2.23 4.77 -0.27 -4.83 117.00 113.54 1nmr n LEU 62 Ca 0.39 -0.14 -0.24 0.00 -0.03 0.00 0.00 56.01 55.99 1nmr n LEU 62 Cb 0.42 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.14 1nmr n LEU 62 CO 0.39 -0.54 -0.33 -0.62 -1.33 0.00 0.00 177.39 174.97 1nmr s ASP 63 N 1.22 4.23 -0.05 -1.43 -1.08 -1.26 -5.01 116.67 113.29 1nmr s ASP 63 Ca 0.59 -0.88 -0.25 0.00 -0.52 0.00 0.00 52.55 51.48 1nmr s ASP 63 Cb -0.43 -0.60 -0.22 0.00 -1.46 0.00 0.00 42.92 40.20 1nmr s ASP 63 CO 0.24 -0.13 1.07 0.74 0.52 0.00 0.00 175.17 177.61 1nmr h THR 64 N 1.88 1.54 0.02 1.71 2.02 -1.98 -3.12 112.91 114.98 1nmr h THR 64 Ca -0.43 -1.76 -0.00 0.00 0.77 0.00 0.00 66.41 64.99 1nmr h THR 64 Cb 1.25 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 70.32 1nmr h THR 64 CO 0.64 0.47 -0.01 1.55 0.37 0.00 0.00 175.52 178.54 1nmr h PRO 65 N -0.55 -0.02 -0.48 6.66 0.13 -1.97 -3.03 132.00 132.74 1nmr h PRO 65 Ca -0.01 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.19 1nmr h PRO 65 Cb 0.84 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.88 1nmr h PRO 65 CO 0.03 -0.01 -0.45 0.78 -0.23 0.00 0.00 178.00 178.12 1nmr h GLY 66 N -0.11 -0.57 0.00 1.56 0.00 -1.96 0.33 103.07 102.33 1nmr h GLY 66 Ca -0.00 0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1nmr h GLY 66 CO 0.00 -0.16 0.00 1.04 0.00 0.00 0.00 176.54 177.42 1nmr n LEU 67 N -5.41 0.00 0.07 3.11 7.99 -1.18 0.61 117.00 122.19 1nmr n LEU 67 Ca 0.00 0.98 0.21 0.00 -0.01 0.00 0.00 56.01 57.19 1nmr n LEU 67 Cb 0.35 -0.48 0.68 0.00 -0.11 0.00 0.00 43.42 43.86 1nmr n LEU 67 CO 0.01 -0.48 1.18 -0.07 -1.51 0.00 0.00 177.39 176.53 1nmr h LEU 68 N 0.00 0.00 0.00 2.23 4.07 -1.45 0.94 115.31 121.10 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 -0.23 -0.78 -1.08 0.00 0.00 178.44 176.35 1nmr h ASP 69 N 0.00 0.00 0.45 -0.43 1.82 -0.00 -2.94 116.42 115.31 1nmr h ASP 69 Ca 0.22 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.86 1nmr h ASP 69 Cb 1.40 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.41 1nmr h ASP 69 CO -0.00 0.60 0.00 0.00 -1.61 0.00 0.00 179.24 178.22 1nmr n ALA 70 N -3.14 1.46 -0.07 -0.78 0.00 0.20 -1.95 120.51 116.22 1nmr n ALA 70 Ca -0.03 0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.39 1nmr n ALA 70 Cb 0.12 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.21 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 -0.48 0.00 1.79 0.77 -2.88 116.57 115.77 1nmr h LYS 71 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1nmr h LYS 71 Cb 0.22 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.85 1nmr h LYS 71 CO 0.00 0.43 0.27 -0.39 -1.08 0.00 0.00 179.45 178.67 1nmr h VAL 72 N -1.00 1.17 0.37 0.50 -1.51 -1.46 0.30 116.25 114.63 1nmr h VAL 72 Ca -0.07 -0.43 -0.02 0.00 -1.23 0.00 0.00 66.70 64.95 1nmr h VAL 72 Cb 0.63 0.57 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 1nmr h VAL 72 CO -0.04 0.18 -0.18 1.56 -1.23 0.00 0.00 177.57 177.85 1nmr h GLN 73 N 0.64 -0.48 -0.67 5.19 1.08 -1.58 0.24 115.11 119.53 1nmr h GLN 73 Ca 0.17 0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.43 1nmr h GLN 73 Cb 0.05 0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.55 1nmr h GLN 73 CO -0.03 -0.24 0.42 1.49 -0.95 0.00 0.00 178.83 179.52 1nmr h GLU 74 N -0.64 0.79 -0.28 1.46 4.57 -1.44 0.90 114.58 119.93 1nmr h GLU 74 Ca -0.05 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.00 1nmr h GLU 74 Cb 0.47 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1nmr h GLU 74 CO 0.08 0.52 -0.13 0.00 -1.18 0.00 0.00 179.01 178.31 1nmr h ALA 75 N 1.29 0.40 -0.02 2.92 0.00 -0.88 -0.01 119.26 122.96 1nmr h ALA 75 Ca 0.27 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1nmr h ALA 75 Cb 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1nmr h ALA 75 CO -0.11 0.28 -0.62 -0.07 0.00 0.00 0.00 179.25 178.73 1nmr h LEU 76 N 0.34 0.08 -0.11 0.00 3.38 -0.24 1.65 115.31 120.40 1nmr h LEU 76 Ca 0.06 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1nmr h LEU 76 Cb 0.65 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1nmr h LEU 76 CO 0.04 0.68 -0.40 -0.08 0.09 0.00 0.00 178.44 178.76 1nmr h GLU 77 N 0.05 0.47 0.08 1.13 4.57 0.92 -3.36 114.58 118.45 1nmr h GLU 77 Ca -0.01 -0.36 -0.35 0.00 -1.18 0.00 0.00 59.36 57.46 1nmr h GLU 77 Cb 1.10 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.72 1nmr h GLU 77 CO 0.08 0.98 -1.97 1.55 -1.18 0.00 0.00 179.01 178.47 1nmr n VAL 78 N -4.31 1.69 -4.98 0.32 3.14 -0.03 -5.07 118.33 109.09 1nmr n VAL 78 Ca -0.08 -0.52 0.00 0.00 -2.96 0.00 0.00 64.34 60.78 1nmr n VAL 78 Cb 0.54 -1.75 0.00 0.00 -1.06 0.00 0.00 33.84 31.57 1nmr n VAL 78 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1nmr n LEU 79 N -3.65 0.00 0.00 6.55 4.77 0.56 -2.84 117.00 122.39 1nmr n LEU 79 Ca -0.35 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.67 1nmr n LEU 79 Cb 0.97 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 42.32 1nmr n LEU 79 CO 0.34 -1.05 0.48 -3.20 -1.33 0.00 0.00 177.39 172.63 1nmr n ASN 80 N -2.92 0.00 -0.64 -1.43 5.15 -1.26 -3.26 115.26 110.90 1nmr n ASN 80 Ca 0.00 -0.32 0.00 0.00 -0.60 0.00 0.00 54.58 53.66 1nmr n ASN 80 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1nmr n ASN 80 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1nmr n ARG 81 N -0.97 0.66 0.01 1.20 5.12 -1.13 -3.61 116.66 117.94 1nmr n ARG 81 Ca 0.07 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 56.08 1nmr n ARG 81 Cb 0.03 -1.29 0.41 0.00 -1.16 0.00 0.00 32.46 30.46 1nmr n ARG 81 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1nmr n HIS 82 N 0.31 0.10 -3.86 -1.55 8.25 -1.20 -4.80 115.22 112.47 1nmr n HIS 82 Ca 0.00 0.04 -0.09 0.00 -0.26 0.00 0.00 57.72 57.40 1nmr n HIS 82 Cb 0.21 -0.56 -0.06 0.00 1.12 0.00 0.00 29.99 30.69 1nmr n HIS 82 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1nmr s MET 83 N -3.03 1.06 -0.06 -0.41 -1.94 -1.24 -5.09 119.30 108.59 1nmr s MET 83 Ca 0.09 -1.01 -0.13 0.00 -1.71 0.00 0.00 55.69 52.93 1nmr s MET 83 Cb 0.12 0.39 -0.09 0.00 2.01 0.00 0.00 34.83 37.27 1nmr s MET 83 CO 0.36 -0.39 0.51 -0.97 -0.01 0.00 0.00 175.02 174.53 1nmr h ASN 84 N 2.55 -0.24 0.00 3.03 -1.24 -1.91 -3.51 115.58 114.26 1nmr h ASN 84 Ca -0.32 -0.14 0.00 0.00 0.71 0.00 0.00 56.30 56.55 1nmr h ASN 84 Cb 1.23 0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.34 1nmr h ASN 84 CO 0.50 0.28 0.00 0.52 -1.29 0.00 0.00 177.43 177.43