#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bu9 s ALA 2 N 0.00 -0.59 -0.56 3.17 0.00 -1.26 -4.99 121.76 117.54 1bu9 s ALA 2 Ca 0.00 -0.17 -0.27 0.00 0.00 0.00 0.00 51.96 51.52 1bu9 s ALA 2 Cb 0.00 0.41 0.04 0.00 0.00 0.00 0.00 23.12 23.57 1bu9 s ALA 2 CO 0.00 -0.47 0.64 -1.91 0.00 0.00 0.00 175.76 174.02 1bu9 n GLU 3 N 0.32 -1.78 -1.48 0.00 2.13 -1.26 -4.83 120.64 113.74 1bu9 n GLU 3 Ca -0.17 1.19 -0.26 0.00 0.66 0.00 0.00 57.16 58.58 1bu9 n GLU 3 Cb 0.61 -2.02 0.19 0.00 0.27 0.00 0.00 31.44 30.49 1bu9 n GLU 3 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1bu9 n PRO 4 N -0.92 -1.61 -2.06 5.31 -0.04 -1.26 -4.41 135.00 130.01 1bu9 n PRO 4 Ca -0.16 -1.74 0.00 0.00 -0.04 0.00 0.00 63.50 61.56 1bu9 n PRO 4 Cb 0.68 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 1bu9 n PRO 4 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1bu9 n TRP 5 N -3.87 -5.11 -0.58 0.54 -0.00 -1.26 -4.38 117.44 102.78 1bu9 n TRP 5 Ca 0.14 2.93 0.00 0.00 -0.00 0.00 0.00 57.50 60.57 1bu9 n TRP 5 Cb 0.51 -3.75 0.00 0.00 -0.00 0.00 0.00 31.31 28.07 1bu9 n TRP 5 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1bu9 n GLY 6 N 1.46 1.52 2.05 5.87 0.00 -1.26 -4.40 105.19 110.43 1bu9 n GLY 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bu9 n GLY 6 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bu9 n ASN 7 N 0.00 -0.96 0.06 1.61 2.85 -1.26 -3.93 115.26 113.63 1bu9 n ASN 7 Ca 0.00 0.33 -0.21 0.00 -0.11 0.00 0.00 54.58 54.58 1bu9 n ASN 7 Cb 0.00 1.07 -0.15 0.00 1.24 0.00 0.00 39.78 41.94 1bu9 n ASN 7 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1bu9 h GLU 8 N 0.00 0.34 0.66 1.20 4.22 -1.82 -3.29 114.58 115.89 1bu9 h GLU 8 Ca 0.00 -0.57 -0.03 0.00 0.08 0.00 0.00 59.36 58.83 1bu9 h GLU 8 Cb 0.00 0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.47 1bu9 h GLU 8 CO 0.00 1.24 -0.32 1.25 -2.18 0.00 0.00 179.01 179.00 1bu9 h LEU 9 N 0.09 -0.75 -1.90 1.64 5.85 -1.87 -1.79 115.31 116.58 1bu9 h LEU 9 Ca -0.34 0.03 0.46 0.00 0.84 0.00 0.00 57.88 58.86 1bu9 h LEU 9 Cb 2.07 0.19 -0.07 0.00 0.37 0.00 0.00 40.66 43.22 1bu9 h LEU 9 CO 0.16 -0.52 1.11 0.00 -0.34 0.00 0.00 178.44 178.85 1bu9 h ALA 10 N -1.55 3.39 0.14 1.25 0.00 -1.88 1.88 119.26 122.49 1bu9 h ALA 10 Ca -0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1bu9 h ALA 10 Cb 0.68 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1bu9 h ALA 10 CO 0.15 -1.88 -0.07 0.66 0.00 0.00 0.00 179.25 178.11 1bu9 h SER 11 N 0.03 -0.16 0.28 0.00 4.64 -1.40 0.61 113.55 117.55 1bu9 h SER 11 Ca 0.77 0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.92 1bu9 h SER 11 Cb 2.98 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 65.11 1bu9 h SER 11 CO -0.07 -0.12 -0.70 0.00 -0.87 0.00 0.00 176.83 175.07 1bu9 h ALA 12 N -1.91 0.65 -0.17 5.18 0.00 -0.75 0.23 119.26 122.49 1bu9 h ALA 12 Ca -0.02 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 1bu9 h ALA 12 Cb 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1bu9 h ALA 12 CO 0.03 0.76 0.07 0.00 0.00 0.00 0.00 179.25 180.11 1bu9 h ALA 13 N 0.99 0.23 -0.26 0.00 0.00 0.28 0.52 119.26 121.02 1bu9 h ALA 13 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1bu9 h ALA 13 Cb 1.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1bu9 h ALA 13 CO 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.18 1bu9 n ALA 14 N -2.23 2.48 -0.09 0.00 0.00 0.21 0.21 120.51 121.09 1bu9 n ALA 14 Ca -0.04 -0.62 -0.13 0.00 0.00 0.00 0.00 53.44 52.65 1bu9 n ALA 14 Cb 0.12 -1.03 -0.15 0.00 0.00 0.00 0.00 19.45 18.40 1bu9 n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1bu9 n ARG 15 N 0.54 0.68 0.00 0.00 3.00 0.07 -4.53 116.66 116.41 1bu9 n ARG 15 Ca 0.16 0.08 0.00 0.00 -0.00 0.00 0.00 57.85 58.09 1bu9 n ARG 15 Cb 0.36 -1.56 0.00 0.00 0.00 0.00 0.00 32.46 31.25 1bu9 n ARG 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bu9 n GLY 16 N 1.87 0.89 3.59 5.14 0.00 -0.20 -4.97 105.19 111.51 1bu9 n GLY 16 Ca -0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1bu9 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bu9 s ASP 17 N -0.15 5.53 -0.14 1.61 1.11 0.17 -4.85 116.67 119.94 1bu9 s ASP 17 Ca 0.00 1.51 -0.24 0.00 0.18 0.00 0.00 52.55 54.01 1bu9 s ASP 17 Cb 0.00 -2.52 -0.21 0.00 1.07 0.00 0.00 42.92 41.26 1bu9 s ASP 17 CO 0.00 -1.96 0.58 0.25 1.18 0.00 0.00 175.17 175.22 1bu9 h LEU 18 N 14.97 0.00 -0.95 1.23 6.46 -1.96 -3.32 115.31 131.74 1bu9 h LEU 18 Ca -0.36 -0.79 -0.11 0.00 -0.12 0.00 0.00 57.88 56.51 1bu9 h LEU 18 Cb 1.21 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.13 1bu9 h LEU 18 CO 1.02 0.98 -0.43 -0.33 -0.62 0.00 0.00 178.44 179.06 1bu9 h GLU 19 N -1.00 0.20 0.00 1.25 5.08 -1.97 -2.89 114.58 115.24 1bu9 h GLU 19 Ca -0.04 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1bu9 h GLU 19 Cb 0.89 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1bu9 h GLU 19 CO -0.02 0.60 0.00 0.94 -1.00 0.00 0.00 179.01 179.52 1bu9 n GLN 20 N -4.01 0.00 -0.35 2.33 -0.06 -1.26 0.94 117.38 114.97 1bu9 n GLN 20 Ca -0.02 0.55 0.23 0.00 -2.00 0.00 0.00 57.00 55.76 1bu9 n GLN 20 Cb 0.49 -1.44 0.47 0.00 -4.06 0.00 0.00 30.24 25.70 1bu9 n GLN 20 CO 0.00 0.00 0.00 1.37 -0.20 0.00 0.00 177.06 178.23 1bu9 h LEU 21 N 0.00 0.52 0.03 1.69 8.10 -1.66 0.45 115.31 124.45 1bu9 h LEU 21 Ca 0.00 0.13 -0.00 0.00 0.11 0.00 0.00 57.88 58.12 1bu9 h LEU 21 Cb 0.00 0.06 0.00 0.00 -0.44 0.00 0.00 40.66 40.28 1bu9 h LEU 21 CO 0.00 0.02 -0.01 0.74 -4.11 0.00 0.00 178.44 175.07 1bu9 h THR 22 N 0.41 0.98 0.36 0.15 2.02 -1.15 -0.80 112.91 114.88 1bu9 h THR 22 Ca 0.67 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.83 1bu9 h THR 22 Cb 1.56 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 1bu9 h THR 22 CO -0.44 0.00 -0.33 -1.28 0.37 0.00 0.00 175.52 173.84 1bu9 h SER 23 N -0.05 -0.89 -1.11 4.18 0.87 0.51 -0.45 113.55 116.62 1bu9 h SER 23 Ca -0.00 0.07 0.30 0.00 -1.23 0.00 0.00 61.79 60.93 1bu9 h SER 23 Cb 0.04 0.30 -0.08 0.00 -0.44 0.00 0.00 62.40 62.21 1bu9 h SER 23 CO 0.01 -0.48 0.74 -0.07 -0.53 0.00 0.00 176.83 176.50 1bu9 h LEU 24 N -0.71 0.28 -0.43 2.23 4.07 -0.93 0.59 115.31 120.41 1bu9 h LEU 24 Ca -0.03 0.06 -0.12 0.00 0.08 0.00 0.00 57.88 57.87 1bu9 h LEU 24 Cb 0.64 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.38 1bu9 h LEU 24 CO -0.04 0.04 -0.20 0.25 -1.08 0.00 0.00 178.44 177.40 1bu9 h LEU 25 N 0.23 0.92 -0.55 1.67 5.85 0.39 1.30 115.31 125.13 1bu9 h LEU 25 Ca 0.60 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1bu9 h LEU 25 Cb 1.84 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.61 1bu9 h LEU 25 CO -0.21 1.12 0.00 0.00 -0.34 0.00 0.00 178.44 179.01 1bu9 n GLN 26 N -4.20 0.16 -0.06 1.25 1.13 0.19 -3.80 117.38 112.06 1bu9 n GLN 26 Ca -0.01 0.38 -0.09 0.00 -1.94 0.00 0.00 57.00 55.34 1bu9 n GLN 26 Cb 0.44 -1.80 -0.03 0.00 0.11 0.00 0.00 30.24 28.96 1bu9 n GLN 26 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1bu9 n ASN 27 N -2.10 1.71 -3.65 1.08 5.03 -0.40 -5.10 115.26 111.84 1bu9 n ASN 27 Ca 0.02 0.28 -0.03 0.00 0.87 0.00 0.00 54.58 55.72 1bu9 n ASN 27 Cb 0.22 -0.64 -0.07 0.00 -1.02 0.00 0.00 39.78 38.28 1bu9 n ASN 27 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1bu9 s ASN 28 N -6.06 -0.08 -0.21 6.41 2.47 0.44 -5.08 114.94 112.82 1bu9 s ASN 28 Ca -0.23 0.15 -0.24 0.00 0.42 0.00 0.00 52.86 52.96 1bu9 s ASN 28 Cb 0.04 0.15 0.06 0.00 -1.45 0.00 0.00 41.25 40.05 1bu9 s ASN 28 CO 0.33 -0.03 0.66 0.68 -3.72 0.00 0.00 177.10 175.02 1bu9 s VAL 29 N -0.11 0.00 -1.21 -5.21 -7.23 -1.26 -4.40 120.40 100.97 1bu9 s VAL 29 Ca 0.07 -0.01 -0.13 0.00 -1.81 0.00 0.00 61.98 60.10 1bu9 s VAL 29 Cb -0.04 -0.93 0.17 0.00 0.56 0.00 0.00 36.38 36.14 1bu9 s VAL 29 CO -0.14 -0.01 1.45 0.59 -0.31 0.00 0.00 175.10 176.69 1bu9 n ASN 30 N 2.38 5.23 -0.14 4.85 4.13 -1.26 -4.82 115.26 125.62 1bu9 n ASN 30 Ca -0.15 -2.99 0.26 0.00 1.68 0.00 0.00 54.58 53.38 1bu9 n ASN 30 Cb 0.56 -1.56 0.49 0.00 -1.54 0.00 0.00 39.78 37.72 1bu9 n ASN 30 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1bu9 h VAL 31 N 4.57 0.06 -0.26 2.41 2.07 -1.95 2.35 116.25 125.51 1bu9 h VAL 31 Ca 0.32 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.84 1bu9 h VAL 31 Cb 0.86 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1bu9 h VAL 31 CO 1.26 0.00 0.00 0.59 0.02 0.00 0.00 177.57 179.44 1bu9 n ASN 32 N -3.30 2.68 -3.04 0.57 5.03 -1.26 -4.78 115.26 111.16 1bu9 n ASN 32 Ca 0.20 -1.86 -0.02 0.00 0.87 0.00 0.00 54.58 53.77 1bu9 n ASN 32 Cb 1.35 -0.17 0.02 0.00 -1.02 0.00 0.00 39.78 39.95 1bu9 n ASN 32 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bu9 n ALA 33 N 0.55 -0.34 -3.64 5.41 0.00 0.79 -5.02 120.51 118.27 1bu9 n ALA 33 Ca 0.10 -0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1bu9 n ALA 33 Cb 0.39 -0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.76 1bu9 n ALA 33 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1bu9 s GLN 34 N -2.18 0.68 0.00 0.00 -0.21 -1.26 -4.51 119.66 112.18 1bu9 s GLN 34 Ca 0.04 0.91 0.00 0.00 0.02 0.00 0.00 55.36 56.33 1bu9 s GLN 34 Cb -0.01 0.28 0.00 0.00 1.00 0.00 0.00 33.01 34.29 1bu9 s GLN 34 CO 0.04 -0.10 0.00 0.09 -2.12 0.00 0.00 175.29 173.20 1bu9 n ASN 35 N 2.97 -0.09 0.18 5.90 4.13 -1.15 -4.52 115.26 122.68 1bu9 n ASN 35 Ca -0.15 -0.15 0.08 0.00 1.68 0.00 0.00 54.58 56.04 1bu9 n ASN 35 Cb 0.56 0.00 0.13 0.00 -1.54 0.00 0.00 39.78 38.93 1bu9 n ASN 35 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1bu9 h GLY 36 N -0.05 0.00 -3.15 7.41 0.00 -1.89 -3.03 103.07 102.37 1bu9 h GLY 36 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1bu9 h GLY 36 CO 0.00 0.00 0.16 0.69 0.00 0.00 0.00 176.54 177.39 1bu9 n PHE 37 N -3.17 1.85 -1.91 5.60 3.72 -1.26 -4.82 117.46 117.47 1bu9 n PHE 37 Ca 0.03 -0.87 -0.18 0.00 -0.05 0.00 0.00 57.45 56.37 1bu9 n PHE 37 Cb 0.62 -0.54 -0.05 0.00 -0.94 0.00 0.00 39.48 38.57 1bu9 n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bu9 n GLY 38 N 0.07 0.78 3.31 1.37 0.00 -1.15 -1.86 105.19 107.73 1bu9 n GLY 38 Ca 0.29 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.85 1bu9 n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bu9 s ARG 39 N -4.20 3.59 0.35 1.61 1.81 -1.26 -4.03 118.95 116.82 1bu9 s ARG 39 Ca 0.00 -2.56 -0.26 0.00 -1.72 0.00 0.00 55.73 51.19 1bu9 s ARG 39 Cb 0.00 -4.39 -0.13 0.00 -0.45 0.00 0.00 34.95 29.99 1bu9 s ARG 39 CO 0.00 -1.28 0.95 2.41 -0.68 0.00 0.00 175.30 176.70 1bu9 n THR 40 N 3.78 2.11 0.01 0.02 -1.04 -1.26 -2.92 114.28 114.97 1bu9 n THR 40 Ca 0.15 -0.50 0.22 0.00 -2.04 0.00 0.00 64.05 61.88 1bu9 n THR 40 Cb 0.45 -0.99 0.62 0.00 -1.82 0.00 0.00 70.33 68.60 1bu9 n THR 40 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bu9 h ALA 41 N 1.69 2.35 0.00 2.41 0.00 -1.92 2.70 119.26 126.49 1bu9 h ALA 41 Ca -0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1bu9 h ALA 41 Cb 1.35 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1bu9 h ALA 41 CO 0.58 -1.02 0.00 -0.11 0.00 0.00 0.00 179.25 178.70 1bu9 n LEU 42 N -3.45 0.43 -0.09 0.00 7.94 -1.26 0.14 117.00 120.72 1bu9 n LEU 42 Ca 0.12 0.63 -0.13 0.00 -1.11 0.00 0.00 56.01 55.52 1bu9 n LEU 42 Cb 0.93 -0.60 -0.14 0.00 0.53 0.00 0.00 43.42 44.14 1bu9 n LEU 42 CO 0.24 -0.55 -1.08 0.00 -1.11 0.00 0.00 177.39 174.88 1bu9 n GLN 43 N -2.00 0.68 0.11 1.96 3.00 0.90 -4.38 117.38 117.66 1bu9 n GLN 43 Ca 0.02 0.11 -0.23 0.00 -0.01 0.00 0.00 57.00 56.88 1bu9 n GLN 43 Cb 0.16 -1.58 -0.15 0.00 0.00 0.00 0.00 30.24 28.67 1bu9 n GLN 43 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.06 176.67 1bu9 h VAL 44 N 0.01 1.17 0.00 5.09 -1.51 -1.01 -3.48 116.25 116.53 1bu9 h VAL 44 Ca -0.51 -2.68 0.00 0.00 -1.23 0.00 0.00 66.70 62.28 1bu9 h VAL 44 Cb 2.10 2.92 0.00 0.00 -2.13 0.00 0.00 31.29 34.18 1bu9 h VAL 44 CO 0.01 0.83 0.00 1.15 -1.23 0.00 0.00 177.57 178.33 1bu9 n MET 45 N -3.64 0.00 -1.53 5.19 0.00 0.38 -4.27 117.12 113.26 1bu9 n MET 45 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.28 1bu9 n MET 45 Cb 1.09 0.00 -0.13 0.00 0.00 0.00 0.00 33.22 34.17 1bu9 n MET 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1bu9 n LYS 46 N 0.00 0.36 0.25 3.17 4.76 0.56 -4.64 118.16 122.62 1bu9 n LYS 46 Ca 0.00 -0.31 0.09 0.00 -2.87 0.00 0.00 58.31 55.22 1bu9 n LYS 46 Cb 0.00 -2.41 0.49 0.00 -1.84 0.00 0.00 35.03 31.27 1bu9 n LYS 46 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1bu9 h LEU 47 N 16.66 0.00 -0.52 -0.35 3.38 -1.88 -0.33 115.31 132.27 1bu9 h LEU 47 Ca -0.03 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1bu9 h LEU 47 Cb 1.13 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 1bu9 h LEU 47 CO 1.30 0.00 -0.43 1.23 0.09 0.00 0.00 178.44 180.63 1bu9 h GLY 48 N 0.00 -1.28 -5.34 0.83 0.00 -1.96 -3.26 103.07 92.06 1bu9 h GLY 48 Ca 0.00 0.82 -0.59 0.00 0.00 0.00 0.00 47.33 47.56 1bu9 h GLY 48 CO 0.00 -0.25 -0.17 0.54 0.00 0.00 0.00 176.54 176.66 1bu9 s ASN 49 N -4.66 6.72 0.18 0.19 2.20 -0.13 -4.92 114.94 114.52 1bu9 s ASN 49 Ca -0.10 0.86 0.23 0.00 -0.94 0.00 0.00 52.86 52.91 1bu9 s ASN 49 Cb 0.07 -2.27 0.09 0.00 -2.00 0.00 0.00 41.25 37.14 1bu9 s ASN 49 CO 0.46 0.12 1.12 1.55 -2.94 0.00 0.00 177.10 177.42 1bu9 h PRO 50 N 5.98 0.00 0.00 3.55 0.13 -1.77 -3.18 132.00 136.70 1bu9 h PRO 50 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 1bu9 h PRO 50 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1bu9 h PRO 50 CO 0.71 0.00 -0.17 1.05 -0.23 0.00 0.00 178.00 179.36 1bu9 h GLU 51 N 0.00 0.00 -0.15 0.86 4.11 -1.91 -2.51 114.58 114.98 1bu9 h GLU 51 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.45 1bu9 h GLU 51 Cb 0.92 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1bu9 h GLU 51 CO 0.00 0.17 -0.15 0.82 0.07 0.00 0.00 179.01 179.92 1bu9 h ILE 52 N 0.00 0.00 -0.31 -1.06 1.08 -1.85 0.61 117.51 115.97 1bu9 h ILE 52 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1bu9 h ILE 52 Cb 0.59 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.33 1bu9 h ILE 52 CO 0.02 0.00 0.19 0.00 -0.69 0.00 0.00 178.15 177.68 1bu9 h ALA 53 N -0.86 0.40 -0.98 1.87 0.00 -1.76 -2.83 119.26 115.10 1bu9 h ALA 53 Ca 0.03 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1bu9 h ALA 53 Cb 0.14 -0.13 -0.13 0.00 0.00 0.00 0.00 17.79 17.67 1bu9 h ALA 53 CO -0.18 -0.11 -0.53 -0.09 0.00 0.00 0.00 179.25 178.34 1bu9 h ARG 54 N 0.41 -0.01 -0.88 0.00 2.43 -0.59 2.68 114.38 118.41 1bu9 h ARG 54 Ca 0.11 0.00 0.22 0.00 -0.81 0.00 0.00 59.98 59.50 1bu9 h ARG 54 Cb -0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.42 1bu9 h ARG 54 CO -0.02 -0.01 0.35 -0.09 -1.51 0.00 0.00 179.97 178.70 1bu9 h ARG 55 N -0.01 0.35 0.18 0.20 9.65 0.39 1.82 114.38 126.96 1bu9 h ARG 55 Ca 0.21 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.06 1bu9 h ARG 55 Cb 0.47 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 1bu9 h ARG 55 CO -0.95 0.23 -0.09 -0.07 2.80 0.00 0.00 179.97 181.90 1bu9 h LEU 56 N 0.36 -0.20 -0.95 3.80 3.38 0.17 -3.29 115.31 118.58 1bu9 h LEU 56 Ca 0.55 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.81 1bu9 h LEU 56 Cb 1.06 0.05 -0.17 0.00 0.09 0.00 0.00 40.66 41.69 1bu9 h LEU 56 CO -0.55 0.20 0.22 0.25 0.09 0.00 0.00 178.44 178.64 1bu9 h LEU 57 N -0.92 -0.12 -0.87 1.67 7.12 0.47 0.54 115.31 123.19 1bu9 h LEU 57 Ca -0.02 0.24 0.20 0.00 0.13 0.00 0.00 57.88 58.43 1bu9 h LEU 57 Cb 0.18 0.35 -0.12 0.00 -0.53 0.00 0.00 40.66 40.55 1bu9 h LEU 57 CO 0.04 -0.29 0.38 -0.07 -0.13 0.00 0.00 178.44 178.37 1bu9 h LEU 58 N 0.09 0.33 0.00 2.25 -0.00 0.27 1.74 115.31 120.00 1bu9 h LEU 58 Ca 0.63 0.14 0.00 0.00 -0.00 0.00 0.00 57.88 58.65 1bu9 h LEU 58 Cb 1.38 0.12 0.00 0.00 -0.00 0.00 0.00 40.66 42.16 1bu9 h LEU 58 CO -0.78 0.03 0.00 -1.14 -0.00 0.00 0.00 178.44 176.55 1bu9 n ARG 59 N -5.03 0.52 0.00 1.13 3.00 0.19 -4.78 116.66 111.69 1bu9 n ARG 59 Ca 0.21 0.03 0.00 0.00 -0.00 0.00 0.00 57.85 58.08 1bu9 n ARG 59 Cb 0.60 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.56 1bu9 n ARG 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bu9 n GLY 60 N 0.24 0.70 3.29 5.14 0.00 0.58 -5.02 105.19 110.13 1bu9 n GLY 60 Ca 0.13 -0.43 -0.45 0.00 0.00 0.00 0.00 46.02 45.27 1bu9 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bu9 s ALA 61 N -1.15 3.82 -0.47 4.61 0.00 -0.61 -4.88 121.76 123.08 1bu9 s ALA 61 Ca 0.00 -3.00 -0.44 0.00 0.00 0.00 0.00 51.96 48.53 1bu9 s ALA 61 Cb 0.00 -3.27 -0.19 0.00 0.00 0.00 0.00 23.12 19.66 1bu9 s ALA 61 CO 0.00 -2.14 1.56 0.09 0.00 0.00 0.00 175.76 175.27 1bu9 n ASN 62 N 4.40 1.09 0.06 0.00 3.02 -1.26 -4.56 115.26 118.01 1bu9 n ASN 62 Ca 0.02 1.07 0.01 0.00 -0.03 0.00 0.00 54.58 55.65 1bu9 n ASN 62 Cb 0.43 -0.83 0.34 0.00 -0.61 0.00 0.00 39.78 39.11 1bu9 n ASN 62 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1bu9 h PRO 63 N 5.12 0.38 0.00 3.52 0.13 -1.81 -1.77 132.00 137.58 1bu9 h PRO 63 Ca -0.38 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1bu9 h PRO 63 Cb 1.29 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1bu9 h PRO 63 CO 0.93 0.48 0.00 -3.47 -0.23 0.00 0.00 178.00 175.71 1bu9 n ASP 64 N -4.27 0.00 -4.52 1.44 -0.08 -1.26 -1.16 116.55 106.71 1bu9 n ASP 64 Ca 0.00 -0.64 -0.22 0.00 -1.51 0.00 0.00 54.79 52.42 1bu9 n ASP 64 Cb 0.26 -0.05 -0.17 0.00 2.34 0.00 0.00 41.12 43.51 1bu9 n ASP 64 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1bu9 n LEU 65 N -1.05 -0.16 -4.72 -2.67 4.77 -0.67 -4.35 117.00 108.15 1bu9 n LEU 65 Ca 0.17 -0.75 -0.30 0.00 -0.03 0.00 0.00 56.01 55.10 1bu9 n LEU 65 Cb 0.10 -0.95 0.23 0.00 -2.33 0.00 0.00 43.42 40.47 1bu9 n LEU 65 CO 0.14 -1.72 0.73 -0.54 -1.33 0.00 0.00 177.39 174.67 1bu9 s LYS 66 N 7.82 -0.80 0.00 3.23 1.02 -1.26 -2.92 119.74 126.84 1bu9 s LYS 66 Ca 1.20 -0.32 0.00 0.00 0.02 0.00 0.00 55.97 56.87 1bu9 s LYS 66 Cb -0.65 -1.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.99 1bu9 s LYS 66 CO 0.41 -3.39 0.00 -0.40 -0.92 0.00 0.00 175.35 171.05 1bu9 n ASP 67 N -4.48 0.97 -0.33 2.83 5.68 -0.82 -4.65 116.55 115.76 1bu9 n ASP 67 Ca 0.16 -0.22 -0.01 0.00 -0.50 0.00 0.00 54.79 54.22 1bu9 n ASP 67 Cb 0.60 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.62 1bu9 n ASP 67 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1bu9 h ARG 68 N 0.00 -0.04 -0.33 0.11 2.43 -1.51 2.24 114.38 117.29 1bu9 h ARG 68 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1bu9 h ARG 68 Cb 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1bu9 h ARG 68 CO 0.00 -0.03 0.00 0.25 -1.51 0.00 0.00 179.97 178.68 1bu9 n THR 69 N -5.49 0.00 -2.12 0.20 -2.24 -1.26 -4.79 114.28 98.58 1bu9 n THR 69 Ca 0.09 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.73 1bu9 n THR 69 Cb 0.40 -0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.43 1bu9 n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bu9 n GLY 70 N 0.30 0.08 3.55 3.38 0.00 0.76 -3.14 105.19 110.11 1bu9 n GLY 70 Ca 0.00 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1bu9 n GLY 70 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bu9 s PHE 71 N -2.69 3.07 0.77 1.61 0.40 -1.24 -3.67 117.98 116.22 1bu9 s PHE 71 Ca 0.00 0.18 -0.14 0.00 -0.60 0.00 0.00 56.93 56.37 1bu9 s PHE 71 Cb 0.00 -3.41 0.06 0.00 0.51 0.00 0.00 43.02 40.18 1bu9 s PHE 71 CO 0.00 -0.84 1.19 0.00 0.70 0.00 0.00 175.22 176.27 1bu9 n ALA 72 N 6.38 0.15 0.25 5.36 0.00 -1.24 -1.95 120.51 129.45 1bu9 n ALA 72 Ca 0.00 -0.26 0.18 0.00 0.00 0.00 0.00 53.44 53.36 1bu9 n ALA 72 Cb 0.48 -2.24 0.90 0.00 0.00 0.00 0.00 19.45 18.59 1bu9 n ALA 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bu9 h VAL 73 N -0.57 0.34 -0.19 0.00 2.07 -1.01 0.46 116.25 117.35 1bu9 h VAL 73 Ca -0.47 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.96 1bu9 h VAL 73 Cb 1.31 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1bu9 h VAL 73 CO 0.47 0.00 -0.22 0.40 0.02 0.00 0.00 177.57 178.24 1bu9 h ILE 74 N 0.00 1.34 -0.76 4.57 2.04 -1.87 -0.73 117.51 122.10 1bu9 h ILE 74 Ca 0.06 -1.41 0.08 0.00 1.00 0.00 0.00 64.86 64.59 1bu9 h ILE 74 Cb 0.40 1.82 -0.11 0.00 -0.74 0.00 0.00 36.82 38.20 1bu9 h ILE 74 CO -0.00 0.43 -0.56 0.45 0.00 0.00 0.00 178.15 178.47 1bu9 h HIS 75 N 0.14 -1.75 -0.12 1.37 3.86 -0.37 -0.18 115.15 118.09 1bu9 h HIS 75 Ca 0.03 0.11 0.05 0.00 -1.16 0.00 0.00 60.37 59.39 1bu9 h HIS 75 Cb 0.78 0.87 -0.06 0.00 1.06 0.00 0.00 27.41 30.06 1bu9 h HIS 75 CO 0.08 -0.42 -0.30 -0.44 0.86 0.00 0.00 177.93 177.72 1bu9 h ASP 76 N -0.16 -0.93 -0.96 2.45 5.19 -1.37 2.15 116.42 122.79 1bu9 h ASP 76 Ca 0.14 0.14 0.25 0.00 -0.62 0.00 0.00 57.03 56.94 1bu9 h ASP 76 Cb 0.50 0.40 -0.13 0.00 0.18 0.00 0.00 39.33 40.28 1bu9 h ASP 76 CO -0.80 -0.34 0.52 0.00 -3.12 0.00 0.00 179.24 175.49 1bu9 h ALA 77 N 0.47 1.68 0.00 3.45 0.00 0.50 -2.92 119.26 122.45 1bu9 h ALA 77 Ca 0.10 0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.97 1bu9 h ALA 77 Cb 0.53 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1bu9 h ALA 77 CO -0.34 -0.34 -1.40 0.00 0.00 0.00 0.00 179.25 177.17 1bu9 n ALA 78 N -2.38 0.86 -0.25 0.00 0.00 -0.62 0.30 120.51 118.42 1bu9 n ALA 78 Ca 0.26 -0.75 0.01 0.00 0.00 0.00 0.00 53.44 52.96 1bu9 n ALA 78 Cb 0.75 -0.07 0.06 0.00 0.00 0.00 0.00 19.45 20.18 1bu9 n ALA 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1bu9 n ARG 79 N -4.43 -0.12 0.08 0.00 0.00 0.72 0.14 116.66 113.05 1bu9 n ARG 79 Ca -0.28 1.05 -0.03 0.00 -0.00 0.00 0.00 57.85 58.58 1bu9 n ARG 79 Cb 0.61 -1.56 -0.07 0.00 0.00 0.00 0.00 32.46 31.44 1bu9 n ARG 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bu9 h ALA 80 N 1.11 0.52 0.00 5.13 0.00 -1.71 -3.44 119.26 120.88 1bu9 h ALA 80 Ca 0.27 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1bu9 h ALA 80 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1bu9 h ALA 80 CO -0.68 1.03 0.00 0.41 0.00 0.00 0.00 179.25 180.01 1bu9 n GLY 81 N 1.33 0.64 2.43 0.00 0.00 0.38 -5.07 105.19 104.89 1bu9 n GLY 81 Ca -0.01 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 1bu9 n GLY 81 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bu9 n PHE 82 N 0.00 1.87 0.45 1.61 3.72 0.88 -4.97 117.46 121.02 1bu9 n PHE 82 Ca 0.00 -3.91 -0.19 0.00 -0.05 0.00 0.00 57.45 53.30 1bu9 n PHE 82 Cb 0.00 -0.41 -0.09 0.00 -0.94 0.00 0.00 39.48 38.04 1bu9 n PHE 82 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1bu9 h LEU 83 N 4.51 -0.97 -1.58 4.37 5.85 -1.93 0.38 115.31 125.94 1bu9 h LEU 83 Ca 0.16 0.03 0.28 0.00 0.84 0.00 0.00 57.88 59.19 1bu9 h LEU 83 Cb 0.77 0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 1bu9 h LEU 83 CO 0.65 -0.66 0.95 0.44 -0.34 0.00 0.00 178.44 179.48 1bu9 h ASP 84 N -1.19 0.00 0.43 1.25 3.32 -1.93 3.60 116.42 121.89 1bu9 h ASP 84 Ca -0.12 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.62 1bu9 h ASP 84 Cb 0.88 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.45 1bu9 h ASP 84 CO 0.19 0.00 -1.43 0.74 -1.72 0.00 0.00 179.24 177.02 1bu9 h THR 85 N 0.00 1.31 0.00 0.35 2.02 -1.53 -2.41 112.91 112.65 1bu9 h THR 85 Ca 0.46 -2.84 -0.03 0.00 0.77 0.00 0.00 66.41 64.78 1bu9 h THR 85 Cb 2.36 2.93 -0.00 0.00 -1.74 0.00 0.00 68.15 71.69 1bu9 h THR 85 CO -0.00 0.85 -0.12 0.25 0.37 0.00 0.00 175.52 176.86 1bu9 h LEU 86 N 0.10 0.00 -0.17 2.58 6.46 1.05 -1.55 115.31 123.79 1bu9 h LEU 86 Ca -0.22 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.36 1bu9 h LEU 86 Cb 2.06 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 42.00 1bu9 h LEU 86 CO 0.22 0.12 -0.61 1.56 -0.62 0.00 0.00 178.44 179.11 1bu9 h GLN 87 N 0.00 0.71 0.04 1.25 4.20 0.64 -1.67 115.11 120.29 1bu9 h GLN 87 Ca -0.00 -0.54 0.00 0.00 0.06 0.00 0.00 58.65 58.17 1bu9 h GLN 87 Cb 0.31 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1bu9 h GLN 87 CO 0.02 1.16 -0.11 1.15 -0.67 0.00 0.00 178.83 180.37 1bu9 h THR 88 N 0.41 0.00 -0.19 -0.54 2.02 -0.77 0.73 112.91 114.56 1bu9 h THR 88 Ca -0.03 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.18 1bu9 h THR 88 Cb 1.24 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.59 1bu9 h THR 88 CO 0.13 0.00 -0.48 -0.07 0.37 0.00 0.00 175.52 175.47 1bu9 h LEU 89 N -0.17 -1.54 -0.58 2.58 4.07 -1.59 2.12 115.31 120.20 1bu9 h LEU 89 Ca -0.00 0.19 0.10 0.00 0.08 0.00 0.00 57.88 58.24 1bu9 h LEU 89 Cb 0.17 0.61 -0.11 0.00 1.08 0.00 0.00 40.66 42.41 1bu9 h LEU 89 CO -0.06 -0.40 -0.36 0.25 -1.08 0.00 0.00 178.44 176.79 1bu9 h LEU 90 N -0.46 -1.25 -1.70 1.67 7.12 -1.13 1.59 115.31 121.17 1bu9 h LEU 90 Ca 0.04 0.23 0.04 0.00 0.13 0.00 0.00 57.88 58.32 1bu9 h LEU 90 Cb 0.57 0.60 -0.02 0.00 -0.53 0.00 0.00 40.66 41.28 1bu9 h LEU 90 CO -0.42 -0.31 0.27 -0.08 -0.13 0.00 0.00 178.44 177.76 1bu9 h GLU 91 N -0.19 0.38 -1.09 1.25 4.57 0.19 -1.20 114.58 118.49 1bu9 h GLU 91 Ca 0.21 -0.02 -0.40 0.00 -1.18 0.00 0.00 59.36 57.97 1bu9 h GLU 91 Cb 0.56 -0.09 -0.21 0.00 -0.16 0.00 0.00 28.75 28.85 1bu9 h GLU 91 CO -0.67 0.25 0.51 1.19 -1.18 0.00 0.00 179.01 179.11 1bu9 n PHE 92 N -4.48 2.20 -3.15 0.92 3.72 0.70 -4.89 117.46 112.49 1bu9 n PHE 92 Ca 0.04 -1.76 -0.07 0.00 -0.05 0.00 0.00 57.45 55.62 1bu9 n PHE 92 Cb 0.18 -0.88 0.03 0.00 -0.94 0.00 0.00 39.48 37.88 1bu9 n PHE 92 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1bu9 n GLN 93 N -0.52 -1.74 -3.93 -1.08 6.02 0.15 -4.57 117.38 111.70 1bu9 n GLN 93 Ca 0.43 1.21 -0.35 0.00 -0.01 0.00 0.00 57.00 58.28 1bu9 n GLN 93 Cb 1.11 -5.80 -0.14 0.00 1.02 0.00 0.00 30.24 26.42 1bu9 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bu9 s ALA 94 N -3.18 2.75 -0.81 -1.58 0.00 -0.44 -4.48 121.76 114.02 1bu9 s ALA 94 Ca 0.21 -1.39 -0.27 0.00 0.00 0.00 0.00 51.96 50.50 1bu9 s ALA 94 Cb -0.03 -1.72 -0.18 0.00 0.00 0.00 0.00 23.12 21.19 1bu9 s ALA 94 CO 0.75 -0.73 2.25 -0.25 0.00 0.00 0.00 175.76 177.78 1bu9 n ASP 95 N 4.71 0.28 0.04 0.00 9.92 -1.26 -4.55 116.55 125.70 1bu9 n ASP 95 Ca -0.17 0.19 0.22 0.00 -0.53 0.00 0.00 54.79 54.50 1bu9 n ASP 95 Cb 0.48 -0.78 0.67 0.00 -0.64 0.00 0.00 41.12 40.85 1bu9 n ASP 95 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1bu9 h VAL 96 N 6.73 0.25 -0.74 2.53 2.07 -1.98 1.01 116.25 126.12 1bu9 h VAL 96 Ca -0.05 0.00 -0.41 0.00 0.82 0.00 0.00 66.70 67.06 1bu9 h VAL 96 Cb 1.12 0.49 -0.24 0.00 -1.52 0.00 0.00 31.29 31.14 1bu9 h VAL 96 CO 1.16 0.00 0.33 0.59 0.02 0.00 0.00 177.57 179.67 1bu9 n ASN 97 N -3.52 3.75 -4.60 0.57 3.02 -1.26 -4.54 115.26 108.68 1bu9 n ASN 97 Ca 0.10 -3.71 -0.43 0.00 -0.03 0.00 0.00 54.58 50.51 1bu9 n ASN 97 Cb 0.82 -0.76 -0.02 0.00 -0.61 0.00 0.00 39.78 39.21 1bu9 n ASN 97 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1bu9 s ILE 98 N -3.52 3.89 0.00 2.41 -1.16 0.35 -4.90 121.20 118.27 1bu9 s ILE 98 Ca 0.53 0.89 0.00 0.00 -0.51 0.00 0.00 60.65 61.56 1bu9 s ILE 98 Cb 0.45 -4.22 0.00 0.00 0.61 0.00 0.00 42.46 39.30 1bu9 s ILE 98 CO 0.05 -0.80 0.00 -0.62 -2.81 0.00 0.00 174.94 170.76 1bu9 n GLU 99 N 8.14 3.42 0.00 3.50 1.02 -1.25 -3.34 120.64 132.13 1bu9 n GLU 99 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1bu9 n GLU 99 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 1bu9 n GLU 99 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1bu9 n ASP 100 N 0.00 1.77 -1.56 1.62 5.75 0.43 -3.67 116.55 120.90 1bu9 n ASP 100 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.68 1bu9 n ASP 100 Cb 0.00 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.20 1bu9 n ASP 100 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1bu9 n ASN 101 N 0.00 3.39 0.00 -1.12 0.23 -1.19 -4.24 115.26 112.33 1bu9 n ASN 101 Ca 0.00 -2.77 0.00 0.00 -0.53 0.00 0.00 54.58 51.28 1bu9 n ASN 101 Cb 0.00 -0.66 0.00 0.00 -2.08 0.00 0.00 39.78 37.04 1bu9 n ASN 101 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1bu9 n GLU 102 N -0.24 0.00 0.00 -3.83 1.02 -1.26 -5.05 120.64 111.28 1bu9 n GLU 102 Ca 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1bu9 n GLU 102 Cb 1.04 -0.01 0.00 0.00 -0.02 0.00 0.00 31.44 32.45 1bu9 n GLU 102 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bu9 n GLY 103 N -0.08 0.00 3.11 0.62 0.00 -1.26 -4.42 105.19 103.16 1bu9 n GLY 103 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1bu9 n GLY 103 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bu9 s ASN 104 N 0.00 -0.26 0.49 1.61 -0.87 -1.26 -3.45 114.94 111.19 1bu9 s ASN 104 Ca 0.00 0.51 0.02 0.00 -1.57 0.00 0.00 52.86 51.82 1bu9 s ASN 104 Cb 0.00 0.47 -0.01 0.00 -0.02 0.00 0.00 41.25 41.69 1bu9 s ASN 104 CO 0.00 -0.12 0.04 -1.48 -2.57 0.00 0.00 177.10 172.98 1bu9 s LEU 105 N 0.55 2.18 0.52 0.60 0.05 -1.26 0.16 118.68 121.50 1bu9 s LEU 105 Ca -0.03 -1.68 0.17 0.00 0.05 0.00 0.00 54.13 52.64 1bu9 s LEU 105 Cb -0.05 -0.53 0.94 0.00 -2.05 0.00 0.00 46.19 44.50 1bu9 s LEU 105 CO -0.03 -0.90 1.48 1.55 -0.55 0.00 0.00 176.35 177.90 1bu9 h PRO 106 N 1.46 0.00 0.01 1.48 0.13 -1.81 0.81 132.00 134.08 1bu9 h PRO 106 Ca -0.41 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1bu9 h PRO 106 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1bu9 h PRO 106 CO 0.68 0.00 -0.00 1.25 -0.23 0.00 0.00 178.00 179.70 1bu9 h LEU 107 N 0.00 -0.01 -0.91 1.56 7.12 -1.89 -2.34 115.31 118.84 1bu9 h LEU 107 Ca 0.00 0.00 0.24 0.00 0.13 0.00 0.00 57.88 58.26 1bu9 h LEU 107 Cb 0.91 0.00 -0.14 0.00 -0.53 0.00 0.00 40.66 40.90 1bu9 h LEU 107 CO 0.00 0.02 0.36 0.45 -0.13 0.00 0.00 178.44 179.15 1bu9 h HIS 108 N -0.07 0.58 0.00 1.25 3.86 -1.57 0.19 115.15 119.39 1bu9 h HIS 108 Ca -0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1bu9 h HIS 108 Cb 0.01 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.37 1bu9 h HIS 108 CO 0.03 -0.14 0.00 1.28 0.86 0.00 0.00 177.93 179.96 1bu9 n LEU 109 N -5.12 0.00 -0.42 2.43 4.77 0.21 0.17 117.00 119.04 1bu9 n LEU 109 Ca 0.24 0.75 0.35 0.00 -0.03 0.00 0.00 56.01 57.31 1bu9 n LEU 109 Cb 0.73 -0.25 0.66 0.00 -2.33 0.00 0.00 43.42 42.23 1bu9 n LEU 109 CO 0.10 -0.25 1.29 0.00 -1.33 0.00 0.00 177.39 177.20 1bu9 h ALA 110 N -1.76 2.86 -0.65 -1.18 0.00 -0.80 2.05 119.26 119.78 1bu9 h ALA 110 Ca 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1bu9 h ALA 110 Cb 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1bu9 h ALA 110 CO 0.00 -1.35 0.08 0.00 0.00 0.00 0.00 179.25 177.99 1bu9 h ALA 111 N 1.48 0.87 0.87 0.00 0.00 0.17 2.13 119.26 124.77 1bu9 h ALA 111 Ca 0.71 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 1bu9 h ALA 111 Cb 2.38 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 19.93 1bu9 h ALA 111 CO -0.23 0.66 -0.44 -0.22 0.00 0.00 0.00 179.25 179.02 1bu9 h LYS 112 N 1.02 -1.15 0.20 0.00 3.64 1.34 -3.16 116.57 118.45 1bu9 h LYS 112 Ca 0.20 0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1bu9 h LYS 112 Cb 0.47 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1bu9 h LYS 112 CO 0.02 -0.77 -0.09 0.93 -2.27 0.00 0.00 179.45 177.27 1bu9 h GLU 113 N -1.20 -0.25 0.00 1.90 4.39 -1.30 -3.47 114.58 114.65 1bu9 h GLU 113 Ca -0.12 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1bu9 h GLU 113 Cb 0.92 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1bu9 h GLU 113 CO 0.19 -0.07 0.00 0.41 -1.16 0.00 0.00 179.01 178.37 1bu9 n GLY 114 N -0.87 1.87 3.53 -3.84 0.00 0.69 -4.96 105.19 101.61 1bu9 n GLY 114 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 1bu9 n GLY 114 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bu9 n HIS 115 N 0.00 0.60 0.00 1.61 8.25 0.55 -4.78 115.22 121.45 1bu9 n HIS 115 Ca 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.21 1bu9 n HIS 115 Cb 0.00 -1.98 0.00 0.00 1.12 0.00 0.00 29.99 29.13 1bu9 n HIS 115 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1bu9 n LEU 116 N 16.19 0.00 -0.67 2.41 7.94 -1.26 0.16 117.00 141.77 1bu9 n LEU 116 Ca 0.41 0.38 0.51 0.00 -1.11 0.00 0.00 56.01 56.20 1bu9 n LEU 116 Cb 0.45 0.00 0.79 0.00 0.53 0.00 0.00 43.42 45.19 1bu9 n LEU 116 CO 0.76 0.00 1.45 -2.11 -1.11 0.00 0.00 177.39 176.39 1bu9 n ARG 117 N -0.59 0.00 0.04 1.96 -4.01 -1.26 0.91 116.66 113.71 1bu9 n ARG 117 Ca 0.00 1.06 -0.02 0.00 -1.04 0.00 0.00 57.85 57.86 1bu9 n ARG 117 Cb 0.00 -2.47 -0.01 0.00 -3.04 0.00 0.00 32.46 26.94 1bu9 n ARG 117 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 1bu9 h VAL 118 N 0.00 0.00 -0.62 8.89 2.07 -1.59 -2.10 116.25 122.90 1bu9 h VAL 118 Ca 0.90 -0.19 0.18 0.00 0.82 0.00 0.00 66.70 68.41 1bu9 h VAL 118 Cb 3.68 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 33.43 1bu9 h VAL 118 CO -0.01 0.00 0.45 0.58 0.02 0.00 0.00 177.57 178.61 1bu9 h VAL 119 N -0.31 0.66 0.00 2.57 2.07 0.40 1.25 116.25 122.89 1bu9 h VAL 119 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1bu9 h VAL 119 Cb 0.09 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1bu9 h VAL 119 CO 0.02 0.00 -0.14 -0.08 0.02 0.00 0.00 177.57 177.39 1bu9 h GLU 120 N 0.00 0.00 0.03 1.57 4.22 0.53 -2.94 114.58 118.00 1bu9 h GLU 120 Ca 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.73 1bu9 h GLU 120 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1bu9 h GLU 120 CO -0.00 0.14 -0.02 0.35 -2.18 0.00 0.00 179.01 177.30 1bu9 h PHE 121 N 0.00 -0.04 -0.98 0.92 3.04 0.23 -2.19 116.94 117.92 1bu9 h PHE 121 Ca -0.00 -0.00 0.20 0.00 3.98 0.00 0.00 57.97 62.15 1bu9 h PHE 121 Cb 0.43 0.01 -0.09 0.00 2.56 0.00 0.00 35.95 38.86 1bu9 h PHE 121 CO 0.00 0.52 0.62 -0.07 -2.02 0.00 0.00 178.31 177.36 1bu9 h LEU 122 N -0.64 0.61 -1.04 0.59 3.38 -1.40 1.26 115.31 118.06 1bu9 h LEU 122 Ca -0.00 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1bu9 h LEU 122 Cb 0.58 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1bu9 h LEU 122 CO 0.01 0.22 -0.11 1.62 0.09 0.00 0.00 178.44 180.27 1bu9 h VAL 123 N 0.60 0.24 -2.67 1.22 3.04 -1.46 -3.24 116.25 113.98 1bu9 h VAL 123 Ca 0.54 -0.89 -0.57 0.00 -1.01 0.00 0.00 66.70 64.78 1bu9 h VAL 123 Cb 1.07 1.72 -0.06 0.00 -2.01 0.00 0.00 31.29 32.02 1bu9 h VAL 123 CO -0.30 0.10 -0.55 -0.75 -1.01 0.00 0.00 177.57 175.07 1bu9 s LYS 124 N -3.56 2.99 0.00 4.17 2.47 0.43 -4.67 119.74 121.58 1bu9 s LYS 124 Ca 0.02 -0.83 0.00 0.00 -1.56 0.00 0.00 55.97 53.60 1bu9 s LYS 124 Cb 0.09 -2.70 0.00 0.00 -1.46 0.00 0.00 37.83 33.76 1bu9 s LYS 124 CO 0.61 0.49 0.00 0.72 0.16 0.00 0.00 175.35 177.33 1bu9 n HIS 125 N -0.39 0.00 -0.10 4.03 8.25 -1.26 -4.69 115.22 121.06 1bu9 n HIS 125 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1bu9 n HIS 125 Cb 0.55 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.66 1bu9 n HIS 125 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1bu9 n THR 126 N 0.00 0.00 0.00 1.59 -2.24 -1.26 -5.07 114.28 107.31 1bu9 n THR 126 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1bu9 n THR 126 Cb 0.00 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 66.80 1bu9 n THR 126 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bu9 n ALA 127 N -3.00 0.00 -0.00 6.98 0.00 -1.22 -4.81 120.51 118.45 1bu9 n ALA 127 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1bu9 n ALA 127 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1bu9 n ALA 127 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bu9 n SER 128 N 0.00 0.31 -3.44 0.00 7.64 -1.26 -4.73 113.62 112.15 1bu9 n SER 128 Ca 0.00 0.05 -0.35 0.00 1.01 0.00 0.00 58.87 59.58 1bu9 n SER 128 Cb 0.00 -0.32 -0.06 0.00 -1.01 0.00 0.00 64.21 62.83 1bu9 n SER 128 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1bu9 n ASN 129 N -2.80 2.46 -0.16 6.43 5.15 -1.26 -4.30 115.26 120.77 1bu9 n ASN 129 Ca -0.01 -2.50 0.12 0.00 -0.60 0.00 0.00 54.58 51.58 1bu9 n ASN 129 Cb 0.06 -0.92 0.14 0.00 -0.53 0.00 0.00 39.78 38.52 1bu9 n ASN 129 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1bu9 n VAL 130 N 5.72 0.00 -1.80 3.44 0.24 -1.26 -4.45 118.33 120.22 1bu9 n VAL 130 Ca 0.43 -0.08 -0.04 0.00 -2.04 0.00 0.00 64.34 62.60 1bu9 n VAL 130 Cb 0.31 0.68 -0.04 0.00 -1.47 0.00 0.00 33.84 33.32 1bu9 n VAL 130 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bu9 n GLY 131 N 1.44 0.19 3.10 7.63 0.00 -1.25 -2.36 105.19 113.94 1bu9 n GLY 131 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1bu9 n GLY 131 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bu9 n HIS 132 N 0.00 -4.29 -3.74 1.61 -0.00 -1.26 -4.79 115.22 102.75 1bu9 n HIS 132 Ca -0.16 0.09 -0.30 0.00 -0.00 0.00 0.00 57.72 57.35 1bu9 n HIS 132 Cb 0.51 -1.53 -0.14 0.00 -0.00 0.00 0.00 29.99 28.83 1bu9 n HIS 132 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 1bu9 s ARG 133 N -2.02 1.00 0.00 1.57 3.03 -1.26 -2.42 118.95 118.85 1bu9 s ARG 133 Ca 0.46 -1.51 0.00 0.00 2.03 0.00 0.00 55.73 56.71 1bu9 s ARG 133 Cb -0.25 -2.21 0.00 0.00 -1.03 0.00 0.00 34.95 31.47 1bu9 s ARG 133 CO 0.77 -1.06 0.00 0.27 -1.13 0.00 0.00 175.30 174.16 1bu9 n ASN 134 N 4.27 0.00 0.07 -2.89 6.94 -1.21 -4.43 115.26 118.01 1bu9 n ASN 134 Ca 0.03 0.00 -0.23 0.00 -0.02 0.00 0.00 54.58 54.36 1bu9 n ASN 134 Cb 0.39 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.66 1bu9 n ASN 134 CO 0.00 0.00 0.00 0.45 -1.03 0.00 0.00 177.26 176.68 1bu9 h HIS 135 N 0.00 0.70 0.00 -2.53 3.86 -1.77 -3.41 115.15 112.01 1bu9 h HIS 135 Ca 0.00 -0.51 -0.37 0.00 -1.16 0.00 0.00 60.37 58.33 1bu9 h HIS 135 Cb 0.00 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.38 1bu9 h HIS 135 CO 0.00 1.70 -2.36 1.63 0.86 0.00 0.00 177.93 179.75 1bu9 n LYS 136 N -3.59 0.58 0.00 2.45 5.02 -1.26 -5.00 118.16 116.36 1bu9 n LYS 136 Ca -0.26 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1bu9 n LYS 136 Cb 1.07 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.63 1bu9 n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bu9 n GLY 137 N 2.12 -0.15 3.55 0.72 0.00 -1.26 -4.99 105.19 105.18 1bu9 n GLY 137 Ca -0.44 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 1bu9 n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bu9 n ASP 138 N 0.00 2.03 -3.54 1.61 8.00 -1.26 -4.15 116.55 119.25 1bu9 n ASP 138 Ca 0.00 -0.82 -0.30 0.00 0.71 0.00 0.00 54.79 54.37 1bu9 n ASP 138 Cb 0.00 -1.58 0.29 0.00 -0.02 0.00 0.00 41.12 39.81 1bu9 n ASP 138 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1bu9 n THR 139 N 8.22 0.00 0.00 -3.53 -2.24 -1.02 -3.28 114.28 112.43 1bu9 n THR 139 Ca 0.42 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 1bu9 n THR 139 Cb 0.49 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 1bu9 n THR 139 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bu9 n ALA 140 N -5.68 1.02 -0.12 6.98 0.00 -1.26 -1.51 120.51 119.94 1bu9 n ALA 140 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.35 1bu9 n ALA 140 Cb 0.59 -0.90 -0.12 0.00 0.00 0.00 0.00 19.45 19.03 1bu9 n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bu9 n ASP 142 N -3.46 0.12 -0.06 0.00 8.00 -0.57 -1.25 116.55 119.32 1bu9 n ASP 142 Ca -0.46 0.54 -0.04 0.00 0.71 0.00 0.00 54.79 55.54 1bu9 n ASP 142 Cb 0.97 -0.56 -0.01 0.00 -0.02 0.00 0.00 41.12 41.50 1bu9 n ASP 142 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1bu9 n LEU 143 N -1.64 1.54 0.27 0.64 4.77 -0.74 -3.09 117.00 118.76 1bu9 n LEU 143 Ca 0.02 0.54 0.17 0.00 -0.03 0.00 0.00 56.01 56.70 1bu9 n LEU 143 Cb 0.11 -0.80 0.80 0.00 -2.33 0.00 0.00 43.42 41.20 1bu9 n LEU 143 CO 0.09 -0.46 1.14 0.00 -1.33 0.00 0.00 177.39 176.84 1bu9 h ALA 144 N -1.15 1.54 0.22 -1.18 0.00 -1.49 -1.26 119.26 115.94 1bu9 h ALA 144 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1bu9 h ALA 144 Cb 0.49 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1bu9 h ALA 144 CO 0.00 -0.41 -0.11 -0.09 0.00 0.00 0.00 179.25 178.64 1bu9 h ARG 145 N 0.00 -0.28 -0.44 0.00 2.43 -1.20 0.40 114.38 115.28 1bu9 h ARG 145 Ca 0.05 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.36 1bu9 h ARG 145 Cb 0.76 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 1bu9 h ARG 145 CO -0.00 -0.19 0.32 -0.07 -1.51 0.00 0.00 179.97 178.52 1bu9 h LEU 146 N -0.59 0.01 0.00 3.80 4.07 -1.33 0.43 115.31 121.70 1bu9 h LEU 146 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1bu9 h LEU 146 Cb 0.23 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.96 1bu9 h LEU 146 CO 0.05 0.01 0.00 -1.22 -1.08 0.00 0.00 178.44 176.20 1bu9 n TYR 147 N -4.41 0.00 0.00 1.13 4.01 -0.53 -4.83 117.16 112.53 1bu9 n TYR 147 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1bu9 n TYR 147 Cb 0.51 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 1bu9 n TYR 147 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bu9 n GLY 148 N 0.30 2.97 3.58 2.72 0.00 0.15 -5.00 105.19 109.92 1bu9 n GLY 148 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1bu9 n GLY 148 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bu9 s ARG 149 N -0.16 2.97 -0.25 1.61 1.81 0.12 -4.81 118.95 120.25 1bu9 s ARG 149 Ca 0.00 1.37 -0.03 0.00 -1.72 0.00 0.00 55.73 55.35 1bu9 s ARG 149 Cb 0.00 -4.32 -0.17 0.00 -0.45 0.00 0.00 34.95 30.01 1bu9 s ARG 149 CO 0.00 -2.29 -0.19 0.27 -0.68 0.00 0.00 175.30 172.41 1bu9 n ASN 150 N 11.87 1.99 0.00 0.23 0.23 -1.26 -3.26 115.26 125.06 1bu9 n ASN 150 Ca 0.26 0.00 0.23 0.00 -0.53 0.00 0.00 54.58 54.54 1bu9 n ASN 150 Cb 0.49 -0.55 0.68 0.00 -2.08 0.00 0.00 39.78 38.32 1bu9 n ASN 150 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1bu9 h GLU 151 N -0.22 0.00 0.15 -3.83 4.81 -1.94 2.76 114.58 116.31 1bu9 h GLU 151 Ca -0.58 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.35 1bu9 h GLU 151 Cb 1.84 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.23 1bu9 h GLU 151 CO -0.14 0.00 -1.40 0.28 -0.73 0.00 0.00 179.01 177.01 1bu9 h VAL 152 N 0.00 1.32 0.29 0.32 2.07 -1.89 -2.53 116.25 115.82 1bu9 h VAL 152 Ca 0.28 -2.89 -0.01 0.00 0.82 0.00 0.00 66.70 64.90 1bu9 h VAL 152 Cb 1.55 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 34.21 1bu9 h VAL 152 CO -0.00 0.85 -0.14 0.58 0.02 0.00 0.00 177.57 178.88 1bu9 h VAL 153 N 0.08 0.00 -0.87 2.57 2.07 0.42 -3.03 116.25 117.50 1bu9 h VAL 153 Ca -0.20 -0.34 0.25 0.00 0.82 0.00 0.00 66.70 67.23 1bu9 h VAL 153 Cb 2.03 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1bu9 h VAL 153 CO 0.20 0.00 0.70 0.28 0.02 0.00 0.00 177.57 178.77 1bu9 h SER 154 N -0.73 0.00 0.34 0.57 0.02 0.16 0.26 113.55 114.17 1bu9 h SER 154 Ca -0.04 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1bu9 h SER 154 Cb 0.29 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1bu9 h SER 154 CO 0.06 0.00 -0.37 0.25 -1.14 0.00 0.00 176.83 175.64 1bu9 h LEU 155 N 0.00 -1.01 0.08 5.07 7.12 -1.33 0.12 115.31 125.36 1bu9 h LEU 155 Ca 0.41 0.08 -0.00 0.00 0.13 0.00 0.00 57.88 58.50 1bu9 h LEU 155 Cb 1.82 0.34 0.00 0.00 -0.53 0.00 0.00 40.66 42.29 1bu9 h LEU 155 CO -0.00 -0.47 -0.04 0.24 -0.13 0.00 0.00 178.44 178.03 1bu9 h MET 156 N -0.71 -0.11 -0.94 1.25 2.86 -1.08 -1.20 114.93 115.01 1bu9 h MET 156 Ca -0.04 0.01 0.28 0.00 -2.06 0.00 0.00 59.70 57.88 1bu9 h MET 156 Cb 0.62 0.02 -0.15 0.00 0.06 0.00 0.00 31.60 32.16 1bu9 h MET 156 CO -0.06 0.38 0.35 1.96 1.06 0.00 0.00 176.91 180.61 1bu9 h GLN 157 N -0.93 0.22 0.06 1.72 4.20 -0.64 0.71 115.11 120.46 1bu9 h GLN 157 Ca -0.01 -0.01 -0.26 0.00 0.06 0.00 0.00 58.65 58.43 1bu9 h GLN 157 Cb 0.54 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.28 1bu9 h GLN 157 CO 0.02 0.15 -1.10 0.00 -0.67 0.00 0.00 178.83 177.22 1bu9 h ALA 158 N 1.83 0.19 -0.25 3.87 0.00 -0.81 -3.26 119.26 120.83 1bu9 h ALA 158 Ca 0.63 -0.77 -0.21 0.00 0.00 0.00 0.00 54.91 54.56 1bu9 h ALA 158 Cb 1.37 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.10 1bu9 h ALA 158 CO -0.66 0.81 0.15 0.09 0.00 0.00 0.00 179.25 179.65 1bu9 n ASN 159 N -3.71 5.90 -4.21 0.00 5.03 0.15 -4.77 115.26 113.66 1bu9 n ASN 159 Ca -0.09 -2.77 -0.31 0.00 0.87 0.00 0.00 54.58 52.28 1bu9 n ASN 159 Cb 0.92 -1.16 -0.06 0.00 -1.02 0.00 0.00 39.78 38.47 1bu9 n ASN 159 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1bu9 n GLY 160 N 1.12 -0.23 0.24 7.41 0.00 -0.92 -4.78 105.19 108.03 1bu9 n GLY 160 Ca 0.23 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1bu9 n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bu9 n ALA 161 N -4.44 1.48 -1.95 4.61 0.00 0.20 -4.82 120.51 115.59 1bu9 n ALA 161 Ca -0.22 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1bu9 n ALA 161 Cb 0.64 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1bu9 n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bu9 n GLY 162 N 0.00 0.79 2.74 0.00 0.00 -1.00 -3.81 105.19 103.91 1bu9 n GLY 162 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 1bu9 n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bu9 n GLY 163 N 4.63 0.08 0.76 -0.02 0.00 -1.26 -4.62 105.19 104.76 1bu9 n GLY 163 Ca 0.00 0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.21 1bu9 n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bu9 n ALA 164 N 1.36 2.70 -2.49 4.61 0.00 -1.26 -4.85 120.51 120.58 1bu9 n ALA 164 Ca 0.08 -0.62 -0.25 0.00 0.00 0.00 0.00 53.44 52.65 1bu9 n ALA 164 Cb 0.65 -1.01 -0.12 0.00 0.00 0.00 0.00 19.45 18.97 1bu9 n ALA 164 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1bu9 s THR 165 N -1.64 1.88 0.00 0.00 -1.32 -1.26 -4.96 115.64 108.34 1bu9 s THR 165 Ca 0.21 -1.71 0.00 0.00 -1.21 0.00 0.00 61.69 58.98 1bu9 s THR 165 Cb 0.13 -1.75 0.00 0.00 -1.51 0.00 0.00 72.50 69.37 1bu9 s THR 165 CO 0.11 -0.10 0.00 0.59 -2.21 0.00 0.00 174.62 173.01 1bu9 n ASN 166 N 0.80 0.00 -4.80 8.08 3.02 -1.26 -5.14 115.26 115.96 1bu9 n ASN 166 Ca -0.17 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.05 1bu9 n ASN 166 Cb 0.54 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.73 1bu9 n ASN 166 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1bu9 s LEU 167 N 0.00 3.50 0.00 3.41 2.96 -1.26 -5.33 118.68 121.96 1bu9 s LEU 167 Ca 0.00 1.85 0.00 0.00 -0.22 0.00 0.00 54.13 55.76 1bu9 s LEU 167 Cb 0.00 -4.54 0.00 0.00 0.50 0.00 0.00 46.19 42.15 1bu9 s LEU 167 CO 0.00 -1.21 0.06 1.67 -1.32 0.00 0.00 176.35 175.55