#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 6.88 -0.30 1.61 0.01 -1.26 -5.03 113.70 115.62 1nmr s SER 2 Ca 0.00 1.06 -0.09 0.00 1.31 0.00 0.00 55.95 58.23 1nmr s SER 2 Cb 0.00 -2.38 0.18 0.00 0.21 0.00 0.00 66.02 64.02 1nmr s SER 2 CO 0.00 -0.14 0.85 -0.94 0.41 0.00 0.00 173.24 173.42 1nmr s SER 3 N 0.86 -0.86 0.11 2.44 1.04 -1.26 -5.03 113.70 111.00 1nmr s SER 3 Ca 0.34 0.68 0.21 0.00 0.48 0.00 0.00 55.95 57.66 1nmr s SER 3 Cb -0.17 1.78 -0.11 0.00 0.10 0.00 0.00 66.02 67.62 1nmr s SER 3 CO 0.15 -0.16 0.84 0.18 0.98 0.00 0.00 173.24 175.23 1nmr n LEU 4 N 5.37 0.65 -4.70 2.42 4.77 -1.26 -4.87 117.00 119.38 1nmr n LEU 4 Ca -0.06 0.26 -0.39 0.00 -0.03 0.00 0.00 56.01 55.80 1nmr n LEU 4 Cb 0.52 0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.56 1nmr n LEU 4 CO -0.04 -0.04 0.24 0.00 -1.33 0.00 0.00 177.39 176.21 1nmr s ALA 5 N -3.25 3.47 0.00 -1.18 0.00 -1.26 -4.99 121.76 114.55 1nmr s ALA 5 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1nmr s ALA 5 Cb 0.10 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1nmr s ALA 5 CO 0.82 -0.15 0.00 0.43 0.00 0.00 0.00 175.76 176.86 1nmr n SER 6 N 4.02 0.00 -4.88 0.00 7.64 -1.26 -5.07 113.62 114.07 1nmr n SER 6 Ca -0.05 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.53 1nmr n SER 6 Cb 0.51 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.76 1nmr n SER 6 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1nmr s GLN 7 N 0.00 2.84 0.00 1.43 -1.52 -1.26 -5.09 119.66 116.07 1nmr s GLN 7 Ca 0.00 0.49 0.00 0.00 -1.95 0.00 0.00 55.36 53.90 1nmr s GLN 7 Cb 0.00 -2.02 0.00 0.00 -0.22 0.00 0.00 33.01 30.77 1nmr s GLN 7 CO 0.00 -1.05 0.00 0.41 -0.25 0.00 0.00 175.29 174.40 1nmr n GLY 8 N -2.92 0.86 0.46 3.09 0.00 -1.26 -4.86 105.19 100.56 1nmr n GLY 8 Ca 0.07 -0.74 0.06 0.00 0.00 0.00 0.00 46.02 45.41 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 1.59 0.00 1.61 1.13 -1.26 -3.92 117.38 116.53 1nmr n GLN 9 Ca 0.00 -0.91 0.06 0.00 -1.94 0.00 0.00 57.00 54.21 1nmr n GLN 9 Cb 0.00 -1.24 0.27 0.00 0.11 0.00 0.00 30.24 29.38 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 0.21 0.00 -0.07 1.08 5.03 -1.26 -2.98 115.26 117.26 1nmr n ASN 10 Ca 0.10 0.47 -0.10 0.00 0.87 0.00 0.00 54.58 55.92 1nmr n ASN 10 Cb 0.23 -0.48 -0.04 0.00 -1.02 0.00 0.00 39.78 38.47 1nmr n ASN 10 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1nmr h LEU 11 N 0.00 0.35 0.05 3.41 3.38 -1.93 0.05 115.31 120.62 1nmr h LEU 11 Ca 0.00 -0.19 -0.26 0.00 0.09 0.00 0.00 57.88 57.53 1nmr h LEU 11 Cb 0.21 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1nmr h LEU 11 CO 0.00 0.44 -1.16 0.28 0.09 0.00 0.00 178.44 178.09 1nmr h SER 12 N 0.23 0.39 0.85 -0.43 0.02 -1.87 -2.06 113.55 110.67 1nmr h SER 12 Ca 0.08 -0.40 -0.04 0.00 -0.84 0.00 0.00 61.79 60.60 1nmr h SER 12 Cb 0.21 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1nmr h SER 12 CO -0.00 1.29 -0.17 0.71 -1.14 0.00 0.00 176.83 177.51 1nmr h THR 13 N 0.09 0.46 0.05 -2.27 1.35 -1.54 -1.40 112.91 109.64 1nmr h THR 13 Ca -0.11 -0.92 -0.33 0.00 -0.55 0.00 0.00 66.41 64.50 1nmr h THR 13 Cb 1.88 1.65 -0.04 0.00 -1.73 0.00 0.00 68.15 69.91 1nmr h THR 13 CO 0.19 0.17 -1.90 0.55 -0.25 0.00 0.00 175.52 174.28 1nmr n VAL 14 N -3.37 1.66 1.77 6.82 3.14 -0.00 -3.96 118.33 124.39 1nmr n VAL 14 Ca -0.00 -0.74 0.15 0.00 -2.96 0.00 0.00 64.34 60.79 1nmr n VAL 14 Cb 0.38 -1.30 0.77 0.00 -1.06 0.00 0.00 33.84 32.63 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 -3.21 0.58 -4.56 6.55 7.94 -0.78 -4.70 117.00 118.82 1nmr n LEU 15 Ca -0.25 -0.18 -0.23 0.00 -1.11 0.00 0.00 56.01 54.24 1nmr n LEU 15 Cb 1.05 -0.02 -0.08 0.00 0.53 0.00 0.00 43.42 44.91 1nmr n LEU 15 CO 0.43 0.10 1.35 0.00 -1.11 0.00 0.00 177.39 178.16 1nmr n ALA 16 N -0.57 1.24 -0.32 1.96 0.00 -0.54 -4.34 120.51 117.93 1nmr n ALA 16 Ca 0.21 -2.74 0.00 0.00 0.00 0.00 0.00 53.44 50.92 1nmr n ALA 16 Cb 0.21 -3.44 0.00 0.00 0.00 0.00 0.00 19.45 16.23 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 16.34 0.00 -3.20 0.00 5.03 -1.26 -4.98 115.26 127.19 1nmr n ASN 17 Ca 0.44 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 55.63 1nmr n ASN 17 Cb 0.47 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.17 1nmr n ASN 17 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1nmr n LEU 18 N -2.01 3.18 -0.04 3.41 4.32 -1.26 -4.90 117.00 119.70 1nmr n LEU 18 Ca 0.00 -5.38 -0.15 0.00 -0.02 0.00 0.00 56.01 50.47 1nmr n LEU 18 Cb 0.00 -0.29 -0.12 0.00 -1.62 0.00 0.00 43.42 41.39 1nmr n LEU 18 CO 0.00 2.19 0.39 0.74 -1.22 0.00 0.00 177.39 179.49 1nmr h THR 19 N 2.69 1.67 -0.09 -5.08 2.02 -1.94 -3.13 112.91 109.05 1nmr h THR 19 Ca 0.15 -2.14 -0.09 0.00 0.77 0.00 0.00 66.41 65.10 1nmr h THR 19 Cb 0.67 3.10 -0.01 0.00 -1.74 0.00 0.00 68.15 70.17 1nmr h THR 19 CO 0.74 0.57 -0.35 1.55 0.37 0.00 0.00 175.52 178.39 1nmr h PRO 20 N -0.77 0.17 -0.52 6.66 0.13 -1.99 -0.88 132.00 134.80 1nmr h PRO 20 Ca -0.02 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 64.95 1nmr h PRO 20 Cb 1.00 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 1nmr h PRO 20 CO 0.03 0.51 -0.02 1.49 -0.23 0.00 0.00 178.00 179.77 1nmr h GLU 21 N 0.15 0.94 0.07 0.86 4.22 -1.95 -1.69 114.58 117.18 1nmr h GLU 21 Ca 0.02 -0.31 -0.00 0.00 0.08 0.00 0.00 59.36 59.14 1nmr h GLU 21 Cb 0.70 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1nmr h GLU 21 CO 0.05 0.97 -0.04 1.96 -2.18 0.00 0.00 179.01 179.77 1nmr h GLN 22 N 0.81 -0.10 -0.46 1.92 1.08 -1.47 -2.82 115.11 114.09 1nmr h GLN 22 Ca 0.15 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.44 1nmr h GLN 22 Cb 0.56 0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 27.92 1nmr h GLN 22 CO 0.03 0.46 -0.14 0.37 -0.95 0.00 0.00 178.83 178.61 1nmr h GLN 23 N -0.86 -0.03 0.00 1.46 5.75 -1.22 0.23 115.11 120.43 1nmr h GLN 23 Ca -0.01 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1nmr h GLN 23 Cb 0.61 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.16 1nmr h GLN 23 CO 0.02 -0.02 -0.11 0.87 -2.65 0.00 0.00 178.83 176.93 1nmr h LYS 24 N -0.03 0.00 0.46 1.69 1.79 -1.42 -2.82 116.57 116.25 1nmr h LYS 24 Ca 0.22 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.67 1nmr h LYS 24 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1nmr h LYS 24 CO -0.49 0.11 -0.22 -0.97 -1.08 0.00 0.00 179.45 176.80 1nmr h ASN 25 N 0.00 -0.53 -0.96 0.86 -0.73 -0.29 -2.98 115.58 110.95 1nmr h ASN 25 Ca -0.00 -0.06 0.12 0.00 1.87 0.00 0.00 56.30 58.23 1nmr h ASN 25 Cb 0.23 0.14 -0.08 0.00 0.27 0.00 0.00 38.32 38.88 1nmr h ASN 25 CO 0.01 -0.24 0.61 1.62 -0.37 0.00 0.00 177.43 179.06 1nmr h VAL 26 N -0.81 0.91 -0.53 2.57 3.04 -1.25 -2.32 116.25 117.86 1nmr h VAL 26 Ca -0.06 -0.31 0.09 0.00 -1.01 0.00 0.00 66.70 65.41 1nmr h VAL 26 Cb 0.56 -0.07 -0.11 0.00 -2.01 0.00 0.00 31.29 29.66 1nmr h VAL 26 CO 0.10 0.16 -0.35 -0.07 -1.01 0.00 0.00 177.57 176.41 1nmr h LEU 27 N 0.90 -1.21 -0.75 3.16 4.07 -1.35 0.28 115.31 120.42 1nmr h LEU 27 Ca 0.47 0.22 -0.00 0.00 0.08 0.00 0.00 57.88 58.65 1nmr h LEU 27 Cb 0.53 0.58 -0.04 0.00 1.08 0.00 0.00 40.66 42.81 1nmr h LEU 27 CO -0.23 -0.32 0.47 1.23 -1.08 0.00 0.00 178.44 178.51 1nmr h GLY 28 N -0.20 1.08 0.90 0.83 0.00 -1.38 0.86 103.07 105.15 1nmr h GLY 28 Ca 0.21 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1nmr h GLY 28 CO -0.64 0.42 -0.22 0.83 0.00 0.00 0.00 176.54 176.93 1nmr h GLU 29 N 1.02 -0.59 0.00 4.80 4.39 -1.07 -1.88 114.58 121.26 1nmr h GLU 29 Ca 0.27 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.01 1nmr h GLU 29 Cb -0.06 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1nmr h GLU 29 CO -0.05 -0.33 0.00 0.54 -1.16 0.00 0.00 179.01 178.00 1nmr n ARG 30 N -5.31 0.14 0.07 2.33 1.74 0.85 -3.44 116.66 113.04 1nmr n ARG 30 Ca -0.11 0.37 -0.04 0.00 -0.77 0.00 0.00 57.85 57.30 1nmr n ARG 30 Cb 0.28 -1.76 -0.02 0.00 -1.02 0.00 0.00 32.46 29.94 1nmr n ARG 30 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1nmr h LEU 31 N 0.00 -0.21 -1.91 0.55 5.85 0.13 -3.13 115.31 116.60 1nmr h LEU 31 Ca 0.00 0.01 0.27 0.00 0.84 0.00 0.00 57.88 59.00 1nmr h LEU 31 Cb 0.34 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1nmr h LEU 31 CO 0.00 0.17 0.69 0.22 -0.34 0.00 0.00 178.44 179.18 1nmr h TYR 32 N -0.89 0.10 -0.30 1.25 5.03 -1.40 0.44 116.97 121.19 1nmr h TYR 32 Ca -0.03 0.00 -0.17 0.00 2.58 0.00 0.00 58.73 61.12 1nmr h TYR 32 Cb 0.19 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.44 1nmr h TYR 32 CO 0.01 0.02 -0.47 -0.97 -1.32 0.00 0.00 178.16 175.43 1nmr h ASN 33 N 0.07 0.88 -0.82 -2.11 -1.24 -1.64 1.20 115.58 111.91 1nmr h ASN 33 Ca 0.47 -0.44 -0.03 0.00 0.71 0.00 0.00 56.30 57.02 1nmr h ASN 33 Cb 1.77 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 40.54 1nmr h ASN 33 CO -0.04 1.21 0.39 1.12 -1.29 0.00 0.00 177.43 178.81 1nmr h HIS 34 N 0.64 1.19 0.01 0.67 2.07 -0.84 -3.26 115.15 115.63 1nmr h HIS 34 Ca 0.03 -0.06 -0.35 0.00 -2.85 0.00 0.00 60.37 57.14 1nmr h HIS 34 Cb 1.05 -0.37 -0.06 0.00 2.57 0.00 0.00 27.41 30.60 1nmr h HIS 34 CO 0.06 0.86 -2.20 1.51 -3.07 0.00 0.00 177.93 175.09 1nmr n ILE 35 N -4.31 1.51 -0.30 6.12 0.13 -1.15 -4.00 119.36 117.36 1nmr n ILE 35 Ca 0.08 -0.76 0.07 0.00 -1.10 0.00 0.00 62.75 61.04 1nmr n ILE 35 Cb 0.14 -0.94 0.17 0.00 -0.84 0.00 0.00 39.64 38.18 1nmr n ILE 35 CO 0.00 0.00 0.00 1.62 2.80 0.00 0.00 176.55 180.97 1nmr h VAL 36 N 0.01 0.16 0.00 9.51 3.04 0.14 2.87 116.25 131.98 1nmr h VAL 36 Ca -0.48 -0.01 -0.12 0.00 -1.01 0.00 0.00 66.70 65.08 1nmr h VAL 36 Cb 2.10 0.13 -0.02 0.00 -2.01 0.00 0.00 31.29 31.49 1nmr h VAL 36 CO 0.02 0.01 -0.56 0.00 -1.01 0.00 0.00 177.57 176.03 1nmr h ALA 37 N 1.85 0.76 0.00 3.17 0.00 -1.78 -3.09 119.26 120.17 1nmr h ALA 37 Ca 0.46 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1nmr h ALA 37 Cb 0.81 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1nmr h ALA 37 CO -0.84 0.70 -0.19 0.82 0.00 0.00 0.00 179.25 179.74 1nmr h ILE 38 N 0.00 0.00 -3.00 0.00 1.08 0.74 -3.44 117.51 112.89 1nmr h ILE 38 Ca -0.01 -0.47 -0.62 0.00 -0.39 0.00 0.00 64.86 63.38 1nmr h ILE 38 Cb 1.25 0.00 -0.42 0.00 -3.07 0.00 0.00 36.82 34.58 1nmr h ILE 38 CO 0.07 0.00 -0.59 0.59 -0.69 0.00 0.00 178.15 177.54 1nmr n ASN 39 N -3.35 2.96 -0.25 1.72 4.13 0.88 -4.94 115.26 116.41 1nmr n ASN 39 Ca -0.03 -3.20 0.23 0.00 1.68 0.00 0.00 54.58 53.26 1nmr n ASN 39 Cb 0.10 -0.75 0.57 0.00 -1.54 0.00 0.00 39.78 38.16 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 5.31 0.29 -1.96 3.52 0.11 -1.54 -1.43 132.00 136.29 1nmr h PRO 40 Ca 0.16 -0.02 -0.58 0.00 0.11 0.00 0.00 66.00 65.67 1nmr h PRO 40 Cb 0.75 -0.06 -0.21 0.00 0.11 0.00 0.00 31.00 31.59 1nmr h PRO 40 CO 0.71 0.19 0.60 0.00 -0.21 0.00 0.00 178.00 179.29 1nmr n ALA 41 N -2.56 6.43 0.00 -0.75 0.00 -1.26 -4.04 120.51 118.32 1nmr n ALA 41 Ca 0.21 -3.32 0.00 0.00 0.00 0.00 0.00 53.44 50.33 1nmr n ALA 41 Cb 0.82 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 0.09 -0.36 0.00 0.00 -0.56 -4.83 120.51 115.25 1nmr n ALA 42 Ca 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.92 1nmr n ALA 42 Cb 0.46 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.59 -0.16 -0.31 0.00 0.00 -1.08 0.16 120.51 117.54 1nmr n ALA 43 Ca 0.00 0.90 0.24 0.00 0.00 0.00 0.00 53.44 54.58 1nmr n ALA 43 Cb 0.00 -0.38 0.54 0.00 0.00 0.00 0.00 19.45 19.60 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 1.19 2.32 0.05 0.00 0.00 -1.89 0.81 119.26 121.73 1nmr h ALA 44 Ca 0.30 0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.99 1nmr h ALA 44 Cb 0.53 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1nmr h ALA 44 CO -0.90 -0.71 -1.43 0.87 0.00 0.00 0.00 179.25 177.08 1nmr h LYS 45 N 0.35 0.10 -0.39 0.00 1.79 0.12 -3.05 116.57 115.49 1nmr h LYS 45 Ca 0.58 -0.18 0.01 0.00 -2.18 0.00 0.00 60.65 58.88 1nmr h LYS 45 Cb 1.54 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 32.24 1nmr h LYS 45 CO -0.25 1.09 0.25 0.28 -1.08 0.00 0.00 179.45 179.73 1nmr h VAL 46 N -0.63 1.08 0.18 0.50 2.07 0.15 0.82 116.25 120.42 1nmr h VAL 46 Ca -0.35 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1nmr h VAL 46 Cb 1.55 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1nmr h VAL 46 CO -0.09 0.09 -0.09 0.74 0.02 0.00 0.00 177.57 178.25 1nmr h THR 47 N 0.51 0.93 0.23 2.57 2.02 0.43 0.42 112.91 120.02 1nmr h THR 47 Ca 0.15 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 1nmr h THR 47 Cb -0.04 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1nmr h THR 47 CO -0.05 0.17 -0.11 1.23 0.37 0.00 0.00 175.52 177.13 1nmr h GLY 48 N -0.63 -0.33 0.66 2.16 0.00 -1.48 -3.33 103.07 100.13 1nmr h GLY 48 Ca -0.02 0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1nmr h GLY 48 CO 0.04 -0.12 -0.00 -0.33 0.00 0.00 0.00 176.54 176.13 1nmr h MET 49 N -0.79 0.03 0.00 4.80 2.07 0.53 -3.40 114.93 118.17 1nmr h MET 49 Ca -0.03 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 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 0.05 0.37 0.00 -0.11 1.07 0.00 0.00 176.91 178.29 1nmr n LEU 50 N -4.90 0.00 -3.54 1.22 7.94 0.15 -2.95 117.00 114.91 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 0.19 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.10 1nmr n LEU 50 CO 0.34 0.00 2.19 0.18 -1.11 0.00 0.00 177.39 178.99 1nmr n LEU 51 N 0.00 4.41 0.00 -1.96 4.32 -1.26 -3.04 117.00 119.46 1nmr n LEU 51 Ca 0.00 -2.96 -0.13 0.00 -0.02 0.00 0.00 56.01 52.90 1nmr n LEU 51 Cb 0.00 -1.14 0.05 0.00 -1.62 0.00 0.00 43.42 40.71 1nmr n LEU 51 CO 0.00 -0.09 0.25 -0.62 -1.22 0.00 0.00 177.39 175.70 1nmr n GLU 52 N 6.42 0.71 0.47 3.23 -0.58 -1.15 -4.85 120.64 124.87 1nmr n GLU 52 Ca 0.49 -2.04 -0.18 0.00 -0.42 0.00 0.00 57.16 55.01 1nmr n GLU 52 Cb 0.35 -0.17 -0.09 0.00 -0.57 0.00 0.00 31.44 30.96 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 -1.15 0.00 3.49 2.86 -1.94 -2.98 114.93 115.21 1nmr h MET 53 Ca -0.18 0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1nmr h MET 53 Cb 0.82 0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1nmr h MET 53 CO 0.25 -0.77 -0.01 -3.47 1.06 0.00 0.00 176.91 173.98 1nmr n ASP 54 N -5.40 0.03 -0.37 1.22 2.03 -1.26 -3.61 116.55 109.19 1nmr n ASP 54 Ca -0.15 0.13 0.38 0.00 0.52 0.00 0.00 54.79 55.67 1nmr n ASP 54 Cb 0.47 -0.50 0.74 0.00 -0.72 0.00 0.00 41.12 41.10 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 -0.02 0.00 0.36 1.67 -1.24 -1.85 -1.00 115.58 113.50 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 0.01 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.07 1nmr h ASN 55 CO 0.00 0.00 -0.17 1.23 -1.29 0.00 0.00 177.43 177.20 1nmr h GLY 56 N 0.00 -0.50 -0.73 1.57 0.00 -1.44 -3.15 103.07 98.82 1nmr h GLY 56 Ca 0.62 0.19 0.11 0.00 0.00 0.00 0.00 47.33 48.25 1nmr h GLY 56 CO -0.01 -0.18 -0.30 1.18 0.00 0.00 0.00 176.54 177.23 1nmr n GLU 57 N -4.76 -0.18 -0.32 4.80 -0.58 -0.39 0.19 120.64 119.40 1nmr n GLU 57 Ca -0.06 1.13 0.02 0.00 -0.42 0.00 0.00 57.16 57.83 1nmr n GLU 57 Cb 0.19 -1.67 0.16 0.00 -0.57 0.00 0.00 31.44 29.55 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 1.00 -1.18 -3.67 1.08 -1.67 -2.16 117.51 110.92 1nmr h ILE 58 Ca 0.25 -0.33 0.43 0.00 -0.39 0.00 0.00 64.86 64.81 1nmr h ILE 58 Cb 0.43 -0.04 -0.14 0.00 -3.07 0.00 0.00 36.82 34.00 1nmr h ILE 58 CO -0.73 0.18 0.73 0.00 -0.69 0.00 0.00 178.15 177.64 1nmr n LEU 59 N -4.63 0.23 -0.08 1.44 -0.00 0.51 0.88 117.00 115.34 1nmr n LEU 59 Ca 0.14 1.34 0.25 0.00 -0.00 0.00 0.00 56.01 57.74 1nmr n LEU 59 Cb 0.22 -0.66 0.63 0.00 -0.00 0.00 0.00 43.42 43.61 1nmr n LEU 59 CO 0.30 -1.47 1.23 -1.13 -0.00 0.00 0.00 177.39 176.32 1nmr h ASN 60 N 0.00 0.00 -2.16 1.45 -0.73 -1.39 -1.42 115.58 111.33 1nmr h ASN 60 Ca 0.80 0.00 -0.61 0.00 1.87 0.00 0.00 56.30 58.36 1nmr h ASN 60 Cb 2.47 0.00 -0.41 0.00 0.27 0.00 0.00 38.32 40.65 1nmr h ASN 60 CO -0.50 0.00 -0.51 0.18 -0.37 0.00 0.00 177.43 176.23 1nmr n LEU 61 N -3.55 4.78 -1.85 0.34 4.77 0.25 -5.04 117.00 116.70 1nmr n LEU 61 Ca 0.16 -5.58 -0.10 0.00 -0.03 0.00 0.00 56.01 50.45 1nmr n LEU 61 Cb 1.06 -0.59 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 1nmr n LEU 61 CO 0.27 2.31 0.87 0.18 -1.33 0.00 0.00 177.39 179.69 1nmr n LEU 62 N -0.28 -0.49 -4.72 2.23 4.77 -0.54 -4.85 117.00 113.13 1nmr n LEU 62 Ca 0.34 -0.18 -0.23 0.00 -0.03 0.00 0.00 56.01 55.92 1nmr n LEU 62 Cb 0.42 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 1nmr n LEU 62 CO 0.35 -0.54 -0.25 -0.62 -1.33 0.00 0.00 177.39 175.00 1nmr s ASP 63 N 0.63 4.88 -0.07 -1.43 2.15 -1.26 -5.01 116.67 116.55 1nmr s ASP 63 Ca 0.55 -0.55 -0.23 0.00 0.43 0.00 0.00 52.55 52.74 1nmr s ASP 63 Cb -0.38 -0.99 -0.19 0.00 -0.30 0.00 0.00 42.92 41.06 1nmr s ASP 63 CO 0.23 -0.08 0.89 0.74 -0.17 0.00 0.00 175.17 176.77 1nmr h THR 64 N 1.68 1.22 0.11 1.71 2.02 -1.98 -3.15 112.91 114.52 1nmr h THR 64 Ca -0.45 -1.50 -0.01 0.00 0.77 0.00 0.00 66.41 65.22 1nmr h THR 64 Cb 1.25 2.13 0.00 0.00 -1.74 0.00 0.00 68.15 69.79 1nmr h THR 64 CO 0.61 0.35 -0.05 1.55 0.37 0.00 0.00 175.52 178.34 1nmr h PRO 65 N -0.82 -0.14 -0.37 6.66 0.13 -1.97 -2.97 132.00 132.53 1nmr h PRO 65 Ca -0.01 0.01 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 1nmr h PRO 65 Cb 0.63 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 31.71 1nmr h PRO 65 CO 0.01 -0.09 -0.56 0.78 -0.23 0.00 0.00 178.00 177.91 1nmr h GLY 66 N -0.73 -1.02 0.03 1.56 0.00 -1.96 0.34 103.07 101.28 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 -0.02 1.41 0.00 0.00 0.00 176.54 177.83 1nmr h LEU 67 N -0.43 -0.04 -1.82 3.11 -0.00 -1.74 -0.29 115.31 114.10 1nmr h LEU 67 Ca 0.07 0.00 0.35 0.00 -0.00 0.00 0.00 57.88 58.30 1nmr h LEU 67 Cb 0.61 0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 41.23 1nmr h LEU 67 CO -0.57 -0.02 0.97 -0.07 -0.00 0.00 0.00 178.44 178.75 1nmr h LEU 68 N -0.04 0.00 0.27 1.67 4.07 -1.47 1.29 115.31 121.10 1nmr h LEU 68 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1nmr h LEU 68 Cb 0.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1nmr h LEU 68 CO 0.00 0.00 -0.13 0.44 -1.08 0.00 0.00 178.44 177.68 1nmr h ASP 69 N 0.00 -0.30 0.39 -0.43 5.19 -0.01 -3.22 116.42 118.04 1nmr h ASP 69 Ca 0.57 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.99 1nmr h ASP 69 Cb 2.51 0.08 0.00 0.00 0.18 0.00 0.00 39.33 42.10 1nmr h ASP 69 CO -0.01 0.12 0.00 0.00 -3.12 0.00 0.00 179.24 176.23 1nmr n ALA 70 N -2.70 2.18 0.03 3.45 0.00 -0.15 -2.47 120.51 120.85 1nmr n ALA 70 Ca -0.04 -0.11 -0.19 0.00 0.00 0.00 0.00 53.44 53.10 1nmr n ALA 70 Cb 0.14 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.09 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 0.36 0.11 0.00 1.57 0.15 -3.03 116.57 115.73 1nmr h LYS 71 Ca 0.00 -0.50 -0.25 0.00 -1.87 0.00 0.00 60.65 58.04 1nmr h LYS 71 Cb 0.20 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1nmr h LYS 71 CO 0.00 1.19 -1.24 -0.39 -0.57 0.00 0.00 179.45 178.44 1nmr h VAL 72 N -0.23 1.14 0.00 0.50 -1.51 -1.56 -3.04 116.25 111.56 1nmr h VAL 72 Ca -0.12 -2.42 0.03 0.00 -1.23 0.00 0.00 66.70 62.97 1nmr h VAL 72 Cb 1.52 2.81 -0.04 0.00 -2.13 0.00 0.00 31.29 33.44 1nmr h VAL 72 CO 0.14 0.68 -0.23 1.56 -1.23 0.00 0.00 177.57 178.50 1nmr h GLN 73 N -0.37 -0.35 -0.00 5.19 1.08 -1.66 0.64 115.11 119.64 1nmr h GLN 73 Ca -0.26 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 56.96 1nmr h GLN 73 Cb 1.69 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 29.20 1nmr h GLN 73 CO 0.06 -0.23 0.00 1.49 -0.95 0.00 0.00 178.83 179.20 1nmr h GLU 74 N -0.36 0.00 -0.57 1.46 4.57 -1.70 0.70 114.58 118.68 1nmr h GLU 74 Ca 0.06 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.26 1nmr h GLU 74 Cb 0.44 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 1nmr h GLU 74 CO -0.20 0.09 0.36 0.00 -1.18 0.00 0.00 179.01 178.07 1nmr h ALA 75 N 0.92 0.74 0.00 2.92 0.00 -1.38 0.42 119.26 122.87 1nmr h ALA 75 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1nmr h ALA 75 Cb 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1nmr h ALA 75 CO -0.00 0.10 -0.57 -0.07 0.00 0.00 0.00 179.25 178.71 1nmr h LEU 76 N 0.71 0.00 -0.01 0.00 3.38 0.43 -2.23 115.31 117.59 1nmr h LEU 76 Ca 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1nmr h LEU 76 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1nmr h LEU 76 CO -0.08 0.57 -0.04 -0.08 0.09 0.00 0.00 178.44 178.89 1nmr h GLU 77 N 0.00 0.04 0.00 1.13 4.57 0.12 -3.16 114.58 117.29 1nmr h GLU 77 Ca -0.01 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1nmr h GLU 77 Cb 1.13 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1nmr h GLU 77 CO 0.07 0.72 0.00 1.55 -1.18 0.00 0.00 179.01 180.17 1nmr n VAL 78 N -4.71 0.87 0.00 0.32 3.14 0.14 -2.53 118.33 115.56 1nmr n VAL 78 Ca -0.09 0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.58 1nmr n VAL 78 Cb 0.36 -1.22 0.00 0.00 -1.06 0.00 0.00 33.84 31.92 1nmr n VAL 78 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1nmr n LEU 79 N -2.19 0.00 -0.03 6.55 0.00 -0.84 -3.09 117.00 117.39 1nmr n LEU 79 Ca 0.02 0.71 0.08 0.00 0.00 0.00 0.00 56.01 56.81 1nmr n LEU 79 Cb 0.20 -0.21 0.44 0.00 0.00 0.00 0.00 43.42 43.85 1nmr n LEU 79 CO 0.18 -0.21 0.78 -3.20 0.00 0.00 0.00 177.39 174.94 1nmr n ASN 80 N -1.22 0.10 -0.55 1.96 2.85 -1.25 -3.95 115.26 113.19 1nmr n ASN 80 Ca 0.00 -1.55 0.00 0.00 -0.11 0.00 0.00 54.58 52.92 1nmr n ASN 80 Cb 0.00 -0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.01 1nmr n ASN 80 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1nmr n ARG 81 N -0.67 0.63 0.18 1.20 5.12 -1.05 -3.47 116.66 118.60 1nmr n ARG 81 Ca 0.11 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.08 1nmr n ARG 81 Cb 0.07 -1.30 0.29 0.00 -1.16 0.00 0.00 32.46 30.36 1nmr n ARG 81 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1nmr h HIS 82 N 0.41 0.00 -2.34 -1.55 3.86 -1.77 -3.32 115.15 110.44 1nmr h HIS 82 Ca 0.00 0.00 -0.79 0.00 -1.16 0.00 0.00 60.37 58.42 1nmr h HIS 82 Cb 0.35 0.00 -0.24 0.00 1.06 0.00 0.00 27.41 28.58 1nmr h HIS 82 CO 0.00 0.41 1.22 -0.12 0.86 0.00 0.00 177.93 180.30 1nmr n MET 83 N -3.52 4.50 -0.12 2.45 0.00 -1.23 -4.62 117.12 114.57 1nmr n MET 83 Ca -0.00 -4.28 -0.24 0.00 -0.00 0.00 0.00 57.70 53.18 1nmr n MET 83 Cb 0.54 -2.60 -0.11 0.00 0.00 0.00 0.00 33.22 31.05 1nmr n MET 83 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1nmr n ASN 84 N 1.61 1.97 0.00 6.12 0.23 -1.25 -5.20 115.26 118.75 1nmr n ASN 84 Ca 0.35 0.13 0.00 0.00 -0.53 0.00 0.00 54.58 54.53 1nmr n ASN 84 Cb 0.32 -0.65 0.00 0.00 -2.08 0.00 0.00 39.78 37.36 1nmr n ASN 84 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88