#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bzz s HIS 2 N 0.00 2.84 0.06 6.34 5.04 -1.26 -4.53 115.29 123.78 1bzz s HIS 2 Ca 0.00 -0.67 0.08 0.00 -1.54 0.00 0.00 55.06 52.93 1bzz s HIS 2 Cb 0.00 -4.09 -0.03 0.00 0.04 0.00 0.00 32.58 28.49 1bzz s HIS 2 CO 0.00 -1.43 -0.20 -0.51 -2.34 0.00 0.00 174.74 170.25 1bzz s LEU 3 N 3.38 2.51 0.83 8.88 1.43 -1.26 -5.12 118.68 129.33 1bzz s LEU 3 Ca 0.18 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 1bzz s LEU 3 Cb -0.20 -1.45 0.09 0.00 0.03 0.00 0.00 46.19 44.66 1bzz s LEU 3 CO 0.09 0.24 1.09 0.42 0.23 0.00 0.00 176.35 178.43 1bzz s THR 4 N -0.93 2.98 0.49 5.49 -4.23 -1.26 -4.75 115.64 113.42 1bzz s THR 4 Ca 0.14 0.32 0.20 0.00 -1.18 0.00 0.00 61.69 61.17 1bzz s THR 4 Cb -0.10 -2.92 0.36 0.00 1.34 0.00 0.00 72.50 71.18 1bzz s THR 4 CO 0.05 -0.42 1.99 -0.65 -0.54 0.00 0.00 174.62 175.06 1bzz h PRO 5 N -1.27 0.17 -0.22 3.99 0.11 -1.99 0.11 132.00 132.89 1bzz h PRO 5 Ca -0.47 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 1bzz h PRO 5 Cb 1.27 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1bzz h PRO 5 CO 0.56 0.11 -0.35 0.93 -0.21 0.00 0.00 178.00 179.04 1bzz h GLU 6 N 0.17 0.63 -0.18 1.05 3.07 -2.00 -2.45 114.58 114.88 1bzz h GLU 6 Ca 0.25 -0.38 -0.01 0.00 -0.50 0.00 0.00 59.36 58.72 1bzz h GLU 6 Cb 0.77 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.71 1bzz h GLU 6 CO -0.04 0.99 0.06 0.93 -1.40 0.00 0.00 179.01 179.55 1bzz h GLU 7 N 0.33 0.28 -0.53 2.33 5.08 -1.61 -1.84 114.58 118.63 1bzz h GLU 7 Ca 0.02 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1bzz h GLU 7 Cb 0.94 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.11 1bzz h GLU 7 CO 0.08 0.39 0.30 0.87 -1.00 0.00 0.00 179.01 179.65 1bzz h LYS 8 N 0.11 0.57 -0.06 2.33 1.57 -1.00 -1.80 116.57 118.29 1bzz h LYS 8 Ca 0.06 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1bzz h LYS 8 Cb 0.23 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1bzz h LYS 8 CO -0.00 0.37 -0.28 0.77 -0.57 0.00 0.00 179.45 179.74 1bzz h SER 9 N 0.58 0.11 -0.42 0.86 0.02 -1.26 -0.44 113.55 113.01 1bzz h SER 9 Ca 0.22 -0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 61.00 1bzz h SER 9 Cb 0.07 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1bzz h SER 9 CO -0.12 0.40 -0.27 0.00 -1.14 0.00 0.00 176.83 175.69 1bzz h ALA 10 N 1.62 0.60 0.16 3.77 0.00 -0.96 -0.37 119.26 124.07 1bzz h ALA 10 Ca 0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1bzz h ALA 10 Cb 0.55 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1bzz h ALA 10 CO 0.04 0.63 -0.07 0.28 0.00 0.00 0.00 179.25 180.12 1bzz h VAL 11 N 0.76 0.97 -0.63 0.00 2.07 -0.89 -2.69 116.25 115.84 1bzz h VAL 11 Ca 0.09 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1bzz h VAL 11 Cb 0.85 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1bzz h VAL 11 CO 0.07 0.14 0.34 0.74 0.02 0.00 0.00 177.57 178.88 1bzz h THR 12 N -0.49 1.20 -0.14 2.57 2.02 -1.08 -1.76 112.91 115.22 1bzz h THR 12 Ca -0.02 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.67 1bzz h THR 12 Cb 0.38 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1bzz h THR 12 CO 0.04 0.22 0.07 0.00 0.37 0.00 0.00 175.52 176.21 1bzz h ALA 13 N 1.16 0.17 -0.53 6.16 0.00 -1.08 -2.28 119.26 122.86 1bzz h ALA 13 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1bzz h ALA 13 Cb 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1bzz h ALA 13 CO -0.04 -0.37 -0.10 1.25 0.00 0.00 0.00 179.25 179.99 1bzz h LEU 14 N 0.15 0.98 -1.95 0.00 6.46 -1.43 -2.95 115.31 116.57 1bzz h LEU 14 Ca 0.06 -0.32 0.02 0.00 -0.12 0.00 0.00 57.88 57.52 1bzz h LEU 14 Cb 0.01 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.67 1bzz h LEU 14 CO -0.04 1.09 0.09 -0.25 -0.62 0.00 0.00 178.44 178.71 1bzz h TRP 15 N 0.88 0.06 0.00 1.25 2.91 -1.07 0.14 115.95 120.12 1bzz h TRP 15 Ca 0.14 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.16 1bzz h TRP 15 Cb 0.65 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.28 1bzz h TRP 15 CO 0.04 0.04 0.00 0.78 -1.03 0.00 0.00 178.44 178.27 1bzz h GLY 16 N 0.06 0.00 -1.52 2.65 0.00 -1.23 -1.28 103.07 101.75 1bzz h GLY 16 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1bzz h GLY 16 CO -0.01 0.00 -0.03 0.28 0.00 0.00 0.00 176.54 176.78 1bzz n LYS 17 N -2.97 2.09 -2.94 4.80 5.02 0.04 -4.96 118.16 119.25 1bzz n LYS 17 Ca -0.01 -1.64 -0.40 0.00 -2.02 0.00 0.00 58.31 54.24 1bzz n LYS 17 Cb 0.18 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.67 1bzz n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1bzz s VAL 18 N -2.04 4.56 -0.53 -0.18 1.01 -0.49 -5.02 120.40 117.71 1bzz s VAL 18 Ca 0.30 1.74 -0.20 0.00 0.00 0.00 0.00 61.98 63.82 1bzz s VAL 18 Cb 0.20 -4.16 0.06 0.00 0.00 0.00 0.00 36.38 32.48 1bzz s VAL 18 CO 0.33 0.41 0.68 0.21 0.00 0.00 0.00 175.10 176.73 1bzz s ASN 19 N -0.43 6.22 0.23 3.32 3.84 -1.26 -4.93 114.94 121.93 1bzz s ASN 19 Ca 0.39 -0.95 -0.07 0.00 0.21 0.00 0.00 52.86 52.44 1bzz s ASN 19 Cb -0.22 -2.31 0.29 0.00 -0.55 0.00 0.00 41.25 38.46 1bzz s ASN 19 CO 0.25 -0.98 1.85 0.58 -2.79 0.00 0.00 177.10 176.01 1bzz h VAL 20 N 5.89 1.06 -0.33 -5.21 2.07 -1.95 -0.41 116.25 117.36 1bzz h VAL 20 Ca -0.28 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 66.85 1bzz h VAL 20 Cb 1.09 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1bzz h VAL 20 CO 1.01 0.17 -0.05 0.44 0.02 0.00 0.00 177.57 179.16 1bzz h ASP 21 N 0.94 0.62 0.22 0.57 5.19 -1.91 0.80 116.42 122.85 1bzz h ASP 21 Ca 0.35 -0.35 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1bzz h ASP 21 Cb 0.12 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.46 1bzz h ASP 21 CO -0.15 0.82 -0.11 -0.08 -3.12 0.00 0.00 179.24 176.60 1bzz h GLU 22 N 0.40 -0.29 -0.36 3.56 4.81 -1.87 -2.15 114.58 118.68 1bzz h GLU 22 Ca 0.09 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1bzz h GLU 22 Cb 0.53 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1bzz h GLU 22 CO 0.03 -0.05 0.02 0.28 -0.73 0.00 0.00 179.01 178.56 1bzz h VAL 23 N -0.50 1.20 0.09 0.32 2.07 -1.11 -2.11 116.25 116.21 1bzz h VAL 23 Ca -0.03 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.73 1bzz h VAL 23 Cb 0.37 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1bzz h VAL 23 CO 0.05 0.27 -0.11 1.23 0.02 0.00 0.00 177.57 179.02 1bzz h GLY 24 N 0.84 -0.21 1.02 2.17 0.00 -0.65 0.97 103.07 107.20 1bzz h GLY 24 Ca 0.12 0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 1bzz h GLY 24 CO 0.01 -0.12 0.41 -1.33 0.00 0.00 0.00 176.54 175.52 1bzz h GLY 25 N -0.24 1.19 0.85 4.60 0.00 -1.26 -2.00 103.07 106.21 1bzz h GLY 25 Ca 0.01 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 1bzz h GLY 25 CO -0.05 0.53 -0.00 0.83 0.00 0.00 0.00 176.54 177.85 1bzz h GLU 26 N 1.10 0.44 -0.27 4.80 4.39 -1.16 -0.70 114.58 123.18 1bzz h GLU 26 Ca 0.28 -0.14 -0.05 0.00 0.34 0.00 0.00 59.36 59.78 1bzz h GLU 26 Cb 0.06 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1bzz h GLU 26 CO -0.04 0.61 -0.04 0.00 -1.16 0.00 0.00 179.01 178.38 1bzz h ALA 27 N 0.81 0.37 -0.42 3.43 0.00 -0.70 -0.51 119.26 122.24 1bzz h ALA 27 Ca 0.07 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1bzz h ALA 27 Cb 0.41 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1bzz h ALA 27 CO 0.01 0.15 0.03 1.25 0.00 0.00 0.00 179.25 180.69 1bzz h LEU 28 N 0.28 0.71 -0.44 0.00 5.85 -1.39 -0.31 115.31 120.02 1bzz h LEU 28 Ca 0.07 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1bzz h LEU 28 Cb 0.49 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1bzz h LEU 28 CO 0.02 0.82 0.21 1.23 -0.34 0.00 0.00 178.44 180.39 1bzz h GLY 29 N 0.57 0.67 1.57 3.75 0.00 -1.06 -2.17 103.07 106.41 1bzz h GLY 29 Ca 0.12 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 1bzz h GLY 29 CO 0.02 0.31 -0.08 3.21 0.00 0.00 0.00 176.54 180.00 1bzz h ARG 30 N 0.56 0.52 -0.50 4.80 3.08 -0.94 -1.51 114.38 120.40 1bzz h ARG 30 Ca 0.15 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1bzz h ARG 30 Cb 0.11 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1bzz h ARG 30 CO -0.02 0.61 0.33 1.25 -1.07 0.00 0.00 179.97 181.07 1bzz h LEU 31 N 0.49 0.58 -1.18 3.04 5.85 -0.69 0.18 115.31 123.57 1bzz h LEU 31 Ca 0.10 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 1bzz h LEU 31 Cb 0.44 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1bzz h LEU 31 CO 0.02 0.42 -0.37 -0.07 -0.34 0.00 0.00 178.44 178.11 1bzz h LEU 32 N 0.67 0.00 0.00 2.25 4.07 -0.79 -0.62 115.31 120.90 1bzz h LEU 32 Ca 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.14 1bzz h LEU 32 Cb -0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.67 1bzz h LEU 32 CO -0.04 0.37 -0.02 0.58 -1.08 0.00 0.00 178.44 178.24 1bzz h VAL 33 N 0.00 1.79 -0.10 1.22 2.07 -1.07 -3.30 116.25 116.86 1bzz h VAL 33 Ca -0.00 -2.36 -0.20 0.00 0.82 0.00 0.00 66.70 64.96 1bzz h VAL 33 Cb 0.75 3.39 0.00 0.00 -1.52 0.00 0.00 31.29 33.91 1bzz h VAL 33 CO 0.05 0.61 -0.77 0.58 0.02 0.00 0.00 177.57 178.07 1bzz h VAL 34 N -0.98 1.34 -2.59 2.57 2.07 -0.99 -3.37 116.25 114.31 1bzz h VAL 34 Ca -0.00 -2.10 -0.60 0.00 0.82 0.00 0.00 66.70 64.81 1bzz h VAL 34 Cb 1.02 2.09 -0.41 0.00 -1.52 0.00 0.00 31.29 32.47 1bzz h VAL 34 CO 0.00 0.64 -0.73 -1.22 0.02 0.00 0.00 177.57 176.29 1bzz n TYR 35 N -3.86 2.03 0.28 1.57 4.01 -0.24 -5.00 117.16 115.95 1bzz n TYR 35 Ca -0.06 -3.97 0.18 0.00 -0.16 0.00 0.00 57.90 53.89 1bzz n TYR 35 Cb 0.73 -0.39 0.94 0.00 -0.31 0.00 0.00 39.34 40.32 1bzz n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1bzz h PRO 36 N 4.99 0.00 0.00 -0.72 0.13 -1.73 -1.45 132.00 133.22 1bzz h PRO 36 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 1bzz h PRO 36 Cb 0.78 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 1bzz h PRO 36 CO 0.64 0.00 -0.03 0.11 -0.23 0.00 0.00 178.00 178.49 1bzz h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.11 115.95 114.57 1bzz h TRP 37 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.02 1bzz h TRP 37 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.66 1bzz h TRP 37 CO 0.00 0.03 0.00 0.25 0.09 0.00 0.00 178.44 178.81 1bzz n THR 38 N -3.24 0.94 0.39 0.12 -2.24 -0.55 -2.28 114.28 107.43 1bzz n THR 38 Ca -0.02 0.34 0.10 0.00 -2.27 0.00 0.00 64.05 62.20 1bzz n THR 38 Cb 0.19 -1.27 0.42 0.00 -2.10 0.00 0.00 70.33 67.57 1bzz n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bzz n GLN 39 N -2.12 0.12 0.01 -0.78 6.02 -0.42 -3.61 117.38 116.60 1bzz n GLN 39 Ca 0.01 0.39 0.22 0.00 -0.01 0.00 0.00 57.00 57.62 1bzz n GLN 39 Cb 0.18 -1.75 0.72 0.00 1.02 0.00 0.00 30.24 30.41 1bzz n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1bzz h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.66 -1.06 114.38 110.68 1bzz h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1bzz h ARG 40 Cb 0.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.36 1bzz h ARG 40 CO 0.00 0.00 -0.66 1.19 0.10 0.00 0.00 179.97 180.60 1bzz n PHE 41 N -3.86 0.08 -0.96 4.08 3.72 -1.24 -4.37 117.46 114.92 1bzz n PHE 41 Ca 0.11 0.02 0.09 0.00 -0.05 0.00 0.00 57.45 57.62 1bzz n PHE 41 Cb 0.73 -0.27 0.23 0.00 -0.94 0.00 0.00 39.48 39.23 1bzz n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1bzz n PHE 42 N -1.62 0.76 0.27 1.38 3.72 -0.40 -4.71 117.46 116.86 1bzz n PHE 42 Ca 0.05 -0.88 0.17 0.00 -0.05 0.00 0.00 57.45 56.74 1bzz n PHE 42 Cb 0.36 -0.27 0.91 0.00 -0.94 0.00 0.00 39.48 39.53 1bzz n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1bzz h GLU 43 N 1.51 0.00 0.00 -1.08 5.08 -1.76 -0.39 114.58 117.94 1bzz h GLU 43 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1bzz h GLU 43 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1bzz h GLU 43 CO 0.18 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.06 1bzz n SER 44 N -3.72 0.00 0.09 1.42 3.41 -1.26 -3.62 113.62 109.94 1bzz n SER 44 Ca -0.01 0.47 0.12 0.00 -0.26 0.00 0.00 58.87 59.19 1bzz n SER 44 Cb 0.19 -0.49 0.45 0.00 -0.26 0.00 0.00 64.21 64.10 1bzz n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1bzz n PHE 45 N -1.49 0.66 0.00 7.33 3.01 -0.16 -5.02 117.46 121.80 1bzz n PHE 45 Ca 0.06 0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.74 1bzz n PHE 45 Cb 0.26 -0.86 0.00 0.00 -0.01 0.00 0.00 39.48 38.87 1bzz n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bzz n GLY 46 N 0.68 0.91 3.62 1.37 0.00 -1.24 -4.73 105.19 105.80 1bzz n GLY 46 Ca 0.04 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 1bzz n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bzz s ASP 47 N -4.00 6.51 -0.17 1.61 2.15 -1.26 -4.88 116.67 116.63 1bzz s ASP 47 Ca 0.00 1.02 0.14 0.00 0.43 0.00 0.00 52.55 54.14 1bzz s ASP 47 Cb 0.00 -2.54 0.43 0.00 -0.30 0.00 0.00 42.92 40.51 1bzz s ASP 47 CO 0.00 -1.25 1.20 0.18 -0.17 0.00 0.00 175.17 175.13 1bzz n LEU 48 N 8.19 2.47 0.20 -1.34 4.77 -1.26 -4.30 117.00 125.74 1bzz n LEU 48 Ca 0.15 -3.51 0.06 0.00 -0.03 0.00 0.00 56.01 52.68 1bzz n LEU 48 Cb 0.47 -0.36 0.40 0.00 -2.33 0.00 0.00 43.42 41.60 1bzz n LEU 48 CO 0.67 1.25 0.73 0.77 -1.33 0.00 0.00 177.39 179.48 1bzz h SER 49 N 1.16 0.00 -5.31 -1.43 4.64 -1.91 -3.44 113.55 107.26 1bzz h SER 49 Ca -0.02 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 1bzz h SER 49 Cb 1.26 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.24 1bzz h SER 49 CO 0.10 0.34 -0.29 0.42 -0.87 0.00 0.00 176.83 176.52 1bzz s THR 50 N -3.79 0.03 0.21 2.95 -4.23 -1.26 -5.01 115.64 104.54 1bzz s THR 50 Ca -0.01 -1.48 -0.08 0.00 -1.18 0.00 0.00 61.69 58.94 1bzz s THR 50 Cb 0.12 -2.07 0.15 0.00 1.34 0.00 0.00 72.50 72.05 1bzz s THR 50 CO 0.68 -0.14 1.78 -0.65 -0.54 0.00 0.00 174.62 175.75 1bzz h PRO 51 N 2.45 0.56 -0.53 3.99 0.11 -1.98 0.41 132.00 137.01 1bzz h PRO 51 Ca -0.30 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 1bzz h PRO 51 Cb 1.24 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1bzz h PRO 51 CO 0.44 0.37 0.27 -0.44 -0.21 0.00 0.00 178.00 178.44 1bzz h ASP 52 N 0.58 0.68 -0.64 -2.05 3.32 -1.99 -0.19 116.42 116.14 1bzz h ASP 52 Ca 0.32 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 1bzz h ASP 52 Cb 0.31 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1bzz h ASP 52 CO -0.24 0.60 0.30 0.00 -1.72 0.00 0.00 179.24 178.17 1bzz h ALA 53 N 1.11 0.82 0.18 3.45 0.00 -1.59 -1.29 119.26 121.95 1bzz h ALA 53 Ca 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1bzz h ALA 53 Cb 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1bzz h ALA 53 CO -0.03 0.40 -0.09 0.28 0.00 0.00 0.00 179.25 179.81 1bzz h VAL 54 N 0.88 0.90 -0.03 0.00 2.07 -0.57 -2.08 116.25 117.43 1bzz h VAL 54 Ca 0.22 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1bzz h VAL 54 Cb 0.14 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1bzz h VAL 54 CO -0.03 0.10 -0.13 0.24 0.02 0.00 0.00 177.57 177.78 1bzz h MET 55 N -0.47 0.04 -0.00 1.57 2.07 -0.94 -2.95 114.93 114.25 1bzz h MET 55 Ca -0.03 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 1bzz h MET 55 Cb 0.36 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.08 1bzz h MET 55 CO 0.04 0.18 -0.47 0.41 1.07 0.00 0.00 176.91 178.14 1bzz n GLY 56 N -1.11 -1.17 3.66 8.32 0.00 -0.50 -4.88 105.19 109.51 1bzz n GLY 56 Ca -0.02 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1bzz n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bzz s ASN 57 N -2.94 6.65 0.47 1.61 3.84 -0.79 -4.89 114.94 118.90 1bzz s ASN 57 Ca 0.13 2.16 0.19 0.00 0.21 0.00 0.00 52.86 55.54 1bzz s ASN 57 Cb 0.18 -2.53 1.14 0.00 -0.55 0.00 0.00 41.25 39.49 1bzz s ASN 57 CO 0.68 -0.95 2.01 1.55 -2.79 0.00 0.00 177.10 177.60 1bzz h PRO 58 N 9.59 0.00 -0.28 0.43 0.13 -1.91 -1.87 132.00 138.10 1bzz h PRO 58 Ca -0.38 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.58 1bzz h PRO 58 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1bzz h PRO 58 CO 0.96 0.17 -0.52 0.87 -0.23 0.00 0.00 178.00 179.25 1bzz h LYS 59 N 0.00 0.80 0.19 0.86 1.57 -1.90 0.13 116.57 118.21 1bzz h LYS 59 Ca -0.00 -0.48 -0.01 0.00 -1.87 0.00 0.00 60.65 58.28 1bzz h LYS 59 Cb 0.34 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1bzz h LYS 59 CO 0.02 1.11 -0.09 0.28 -0.57 0.00 0.00 179.45 180.21 1bzz h VAL 60 N 0.62 0.87 -0.49 0.50 2.07 -1.79 -0.36 116.25 117.67 1bzz h VAL 60 Ca 0.02 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.31 1bzz h VAL 60 Cb 1.10 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 1bzz h VAL 60 CO 0.11 0.06 0.23 0.11 0.02 0.00 0.00 177.57 178.11 1bzz h LYS 61 N -0.38 0.45 -0.89 1.57 1.57 -1.28 0.18 116.57 117.78 1bzz h LYS 61 Ca -0.03 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1bzz h LYS 61 Cb 0.30 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1bzz h LYS 61 CO 0.04 0.29 0.59 0.00 -0.57 0.00 0.00 179.45 179.81 1bzz h ALA 62 N 1.28 1.13 -0.45 3.86 0.00 -0.74 -1.35 119.26 122.99 1bzz h ALA 62 Ca 0.22 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1bzz h ALA 62 Cb 0.15 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1bzz h ALA 62 CO -0.17 0.53 -0.21 1.25 0.00 0.00 0.00 179.25 180.66 1bzz h HIS 63 N 1.21 1.02 -0.57 0.00 -0.00 -0.61 -2.69 115.15 113.52 1bzz h HIS 63 Ca 0.33 -0.24 -0.02 0.00 -0.00 0.00 0.00 60.37 60.44 1bzz h HIS 63 Cb -0.14 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.00 1bzz h HIS 63 CO -0.01 1.02 0.26 0.78 -0.00 0.00 0.00 177.93 179.98 1bzz h GLY 64 N 0.92 0.85 1.03 5.26 0.00 -0.15 -0.19 103.07 110.80 1bzz h GLY 64 Ca 0.11 -0.40 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 1bzz h GLY 64 CO 0.06 0.38 0.07 0.50 0.00 0.00 0.00 176.54 177.56 1bzz h LYS 65 N 0.80 0.97 -0.10 4.80 1.57 -1.07 -1.26 116.57 122.28 1bzz h LYS 65 Ca 0.20 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1bzz h LYS 65 Cb 0.10 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1bzz h LYS 65 CO -0.02 0.93 0.03 -0.22 -0.57 0.00 0.00 179.45 179.60 1bzz h LYS 66 N 0.87 0.15 0.06 3.15 3.64 -1.09 -0.65 116.57 122.70 1bzz h LYS 66 Ca 0.17 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1bzz h LYS 66 Cb 0.45 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1bzz h LYS 66 CO 0.02 0.31 -0.03 0.28 -2.27 0.00 0.00 179.45 177.76 1bzz h VAL 67 N -0.03 1.07 0.00 2.00 2.07 -1.02 -2.44 116.25 117.91 1bzz h VAL 67 Ca 0.03 -0.46 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 1bzz h VAL 67 Cb 0.22 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1bzz h VAL 67 CO -0.00 0.12 -0.38 -0.07 0.02 0.00 0.00 177.57 177.26 1bzz h LEU 68 N -0.29 0.00 -0.51 2.57 -0.00 -1.27 -1.68 115.31 114.13 1bzz h LEU 68 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.83 1bzz h LEU 68 Cb 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.89 1bzz h LEU 68 CO 0.01 0.38 0.15 1.23 -0.00 0.00 0.00 178.44 180.21 1bzz h GLY 69 N 1.46 0.86 0.98 0.83 0.00 -1.03 0.24 103.07 106.41 1bzz h GLY 69 Ca -0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 1bzz h GLY 69 CO 0.05 0.48 0.12 0.00 0.00 0.00 0.00 176.54 177.19 1bzz h ALA 70 N 1.01 0.66 -0.35 3.60 0.00 -1.10 -0.86 119.26 122.23 1bzz h ALA 70 Ca 0.16 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1bzz h ALA 70 Cb 0.29 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1bzz h ALA 70 CO -0.00 0.36 0.02 0.35 0.00 0.00 0.00 179.25 179.98 1bzz h PHE 71 N 0.69 0.02 -0.57 0.00 3.04 -0.95 -1.99 116.94 117.19 1bzz h PHE 71 Ca 0.16 0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.18 1bzz h PHE 71 Cb 0.34 0.04 -0.05 0.00 2.56 0.00 0.00 35.95 38.84 1bzz h PHE 71 CO 0.02 -0.04 0.30 1.03 -2.02 0.00 0.00 178.31 177.61 1bzz h SER 72 N 0.13 0.45 0.25 0.41 0.87 -0.19 -1.56 113.55 113.89 1bzz h SER 72 Ca 0.17 0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.68 1bzz h SER 72 Cb 0.22 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1bzz h SER 72 CO -0.26 0.30 -0.30 0.44 -0.53 0.00 0.00 176.83 176.48 1bzz h ASP 73 N 0.58 0.09 0.47 6.23 3.32 -0.71 -2.51 116.42 123.89 1bzz h ASP 73 Ca 0.25 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 1bzz h ASP 73 Cb 0.15 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1bzz h ASP 73 CO -0.16 0.39 -0.26 1.23 -1.72 0.00 0.00 179.24 178.72 1bzz h GLY 74 N 0.98 0.00 2.00 2.75 0.00 -0.56 -2.67 103.07 105.57 1bzz h GLY 74 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1bzz h GLY 74 CO 0.04 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.99 1bzz h LEU 75 N 0.00 0.00 0.00 3.11 4.07 -1.15 -0.38 115.31 120.97 1bzz h LEU 75 Ca -0.00 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 1bzz h LEU 75 Cb 0.56 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 1bzz h LEU 75 CO 0.03 0.00 -0.35 0.00 -1.08 0.00 0.00 178.44 177.04 1bzz h ALA 76 N 2.08 0.81 -0.77 1.53 0.00 -1.61 -3.36 119.26 117.94 1bzz h ALA 76 Ca 0.00 -0.23 -0.55 0.00 0.00 0.00 0.00 54.91 54.13 1bzz h ALA 76 Cb 0.22 -0.02 -0.37 0.00 0.00 0.00 0.00 17.79 17.62 1bzz h ALA 76 CO 0.00 0.31 -0.37 0.72 0.00 0.00 0.00 179.25 179.91 1bzz n HIS 77 N -3.11 2.72 -0.27 0.00 8.25 -0.16 -4.85 115.22 117.81 1bzz n HIS 77 Ca 0.02 -2.37 0.23 0.00 -0.26 0.00 0.00 57.72 55.34 1bzz n HIS 77 Cb 0.63 -0.61 0.56 0.00 1.12 0.00 0.00 29.99 31.69 1bzz n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1bzz h LEU 78 N 2.05 0.32 -0.16 2.41 4.07 -1.70 0.29 115.31 122.59 1bzz h LEU 78 Ca 0.41 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.42 1bzz h LEU 78 Cb 1.36 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.09 1bzz h LEU 78 CO 0.93 0.10 0.00 0.47 -1.08 0.00 0.00 178.44 178.86 1bzz n ASP 79 N -4.48 0.60 -2.83 -0.43 8.00 -1.26 0.26 116.55 116.40 1bzz n ASP 79 Ca 0.22 0.58 -0.11 0.00 0.71 0.00 0.00 54.79 56.18 1bzz n ASP 79 Cb 0.84 -0.73 0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1bzz n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1bzz n ASN 80 N -2.09 0.43 -0.10 -2.24 5.15 0.99 -4.64 115.26 112.75 1bzz n ASN 80 Ca 0.05 -2.85 -0.09 0.00 -0.60 0.00 0.00 54.58 51.08 1bzz n ASN 80 Cb 0.35 -0.11 0.06 0.00 -0.53 0.00 0.00 39.78 39.56 1bzz n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1bzz h LEU 81 N 2.86 0.85 -0.70 1.20 3.38 -1.64 -2.17 115.31 119.09 1bzz h LEU 81 Ca -0.07 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.60 1bzz h LEU 81 Cb 1.13 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 1bzz h LEU 81 CO 0.38 1.05 0.45 0.11 0.09 0.00 0.00 178.44 180.53 1bzz h LYS 82 N 0.72 0.87 -0.41 1.13 1.57 -1.90 -0.89 116.57 117.65 1bzz h LYS 82 Ca 0.09 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 1bzz h LYS 82 Cb 0.78 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1bzz h LYS 82 CO 0.06 0.57 -0.24 0.78 -0.57 0.00 0.00 179.45 180.05 1bzz h GLY 83 N 0.89 0.97 1.29 3.86 0.00 -1.94 -1.83 103.07 106.31 1bzz h GLY 83 Ca 0.27 -0.90 -0.03 0.00 0.00 0.00 0.00 47.33 46.67 1bzz h GLY 83 CO -0.08 0.82 0.29 -0.84 0.00 0.00 0.00 176.54 176.72 1bzz h THR 84 N 0.71 1.21 -0.44 4.70 2.02 -1.03 -3.14 112.91 116.95 1bzz h THR 84 Ca 0.09 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1bzz h THR 84 Cb 0.82 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1bzz h THR 84 CO 0.07 0.26 0.00 0.49 0.37 0.00 0.00 175.52 176.71 1bzz n PHE 85 N -4.33 0.58 -0.14 3.16 3.72 -0.37 -4.71 117.46 115.36 1bzz n PHE 85 Ca 0.06 -0.40 -0.06 0.00 -0.05 0.00 0.00 57.45 57.00 1bzz n PHE 85 Cb 0.15 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.71 1bzz n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bzz h ALA 86 N 3.19 0.54 -0.45 4.37 0.00 -1.28 0.12 119.26 125.75 1bzz h ALA 86 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1bzz h ALA 86 Cb 0.83 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1bzz h ALA 86 CO 0.00 -0.15 -0.22 1.15 0.00 0.00 0.00 179.25 180.03 1bzz h THR 87 N 0.42 1.27 -0.16 0.00 2.02 -1.84 -1.81 112.91 112.81 1bzz h THR 87 Ca 0.19 -1.37 -0.09 0.00 0.77 0.00 0.00 66.41 65.91 1bzz h THR 87 Cb 0.10 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1bzz h THR 87 CO -0.14 0.47 -0.29 -0.07 0.37 0.00 0.00 175.52 175.86 1bzz h LEU 88 N 0.79 0.32 -0.24 2.58 3.38 -1.78 -0.86 115.31 119.49 1bzz h LEU 88 Ca 0.10 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1bzz h LEU 88 Cb 0.78 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1bzz h LEU 88 CO 0.06 0.61 0.14 -1.28 0.09 0.00 0.00 178.44 178.06 1bzz h SER 89 N 0.28 0.29 -0.59 -0.43 0.87 -0.33 -0.60 113.55 113.04 1bzz h SER 89 Ca 0.04 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1bzz h SER 89 Cb 0.66 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.52 1bzz h SER 89 CO 0.05 0.27 0.39 -0.33 -0.53 0.00 0.00 176.83 176.67 1bzz h GLU 90 N 0.29 0.76 -0.11 2.24 5.08 -1.00 -2.06 114.58 119.77 1bzz h GLU 90 Ca 0.09 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1bzz h GLU 90 Cb 0.04 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1bzz h GLU 90 CO -0.02 0.50 0.05 1.25 -1.00 0.00 0.00 179.01 179.80 1bzz h LEU 91 N 0.78 0.07 -1.65 1.33 5.85 -0.94 -0.19 115.31 120.57 1bzz h LEU 91 Ca 0.22 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1bzz h LEU 91 Cb -0.07 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1bzz h LEU 91 CO -0.06 0.06 0.19 0.45 -0.34 0.00 0.00 178.44 178.74 1bzz h HIS 92 N 0.11 0.40 0.03 1.25 3.86 -0.86 -1.27 115.15 118.68 1bzz h HIS 92 Ca 0.05 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1bzz h HIS 92 Cb 0.01 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.35 1bzz h HIS 92 CO -0.09 0.28 -0.02 0.00 0.86 0.00 0.00 177.93 178.96 1bzz h ASP 94 N -0.88 0.42 0.00 0.00 3.32 -1.06 -3.12 116.42 115.11 1bzz h ASP 94 Ca -0.00 -0.29 -0.22 0.00 0.02 0.00 0.00 57.03 56.54 1bzz h ASP 94 Cb 0.03 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 1bzz h ASP 94 CO 0.01 1.03 -1.81 0.29 -1.72 0.00 0.00 179.24 177.04 1bzz n LYS 95 N -3.81 0.35 0.09 3.56 4.76 -0.55 -4.75 118.16 117.80 1bzz n LYS 95 Ca -0.04 0.09 0.03 0.00 -2.87 0.00 0.00 58.31 55.51 1bzz n LYS 95 Cb 0.72 -1.26 -0.03 0.00 -1.84 0.00 0.00 35.03 32.62 1bzz n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1bzz h LEU 96 N -0.04 0.00 -1.49 -0.35 3.38 -1.46 -3.49 115.31 111.86 1bzz h LEU 96 Ca -0.32 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.27 1bzz h LEU 96 Cb 1.48 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.34 1bzz h LEU 96 CO -0.06 0.46 -0.77 1.41 0.09 0.00 0.00 178.44 179.57 1bzz n HIS 97 N -2.99 -2.25 -3.45 1.13 8.25 -0.27 -4.96 115.22 110.68 1bzz n HIS 97 Ca -0.04 0.92 -0.39 0.00 -0.26 0.00 0.00 57.72 57.95 1bzz n HIS 97 Cb 0.76 -4.80 -0.10 0.00 1.12 0.00 0.00 29.99 26.97 1bzz n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1bzz s VAL 98 N -3.43 5.21 0.18 1.59 1.01 -0.52 -5.03 120.40 119.40 1bzz s VAL 98 Ca 0.16 0.37 -0.32 0.00 0.00 0.00 0.00 61.98 62.19 1bzz s VAL 98 Cb -0.07 -3.67 -0.11 0.00 0.00 0.00 0.00 36.38 32.52 1bzz s VAL 98 CO 0.76 0.14 1.71 -0.62 0.00 0.00 0.00 175.10 177.10 1bzz s ASP 99 N 1.69 6.43 0.33 3.32 -1.08 -1.26 -4.76 116.67 121.33 1bzz s ASP 99 Ca 0.12 2.80 0.23 0.00 -0.52 0.00 0.00 52.55 55.18 1bzz s ASP 99 Cb -0.16 -2.59 1.21 0.00 -1.46 0.00 0.00 42.92 39.92 1bzz s ASP 99 CO 0.11 -0.95 1.70 -0.65 0.52 0.00 0.00 175.17 175.89 1bzz h PRO 100 N 7.17 0.00 -0.28 4.34 0.11 -1.96 -1.67 132.00 139.71 1bzz h PRO 100 Ca -0.43 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.71 1bzz h PRO 100 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1bzz h PRO 100 CO 0.95 0.00 0.19 1.49 -0.21 0.00 0.00 178.00 180.42 1bzz h GLU 101 N 0.00 0.21 -0.39 1.05 4.57 -1.98 -0.88 114.58 117.16 1bzz h GLU 101 Ca 0.00 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1bzz h GLU 101 Cb 0.04 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1bzz h GLU 101 CO 0.00 0.14 0.26 -0.91 -1.18 0.00 0.00 179.01 177.32 1bzz h ASN 102 N 0.21 0.34 -0.35 1.04 4.21 -1.67 -1.25 115.58 118.12 1bzz h ASN 102 Ca 0.12 -0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.53 1bzz h ASN 102 Cb 0.22 -0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.32 1bzz h ASN 102 CO -0.02 0.23 -0.14 -0.26 -1.29 0.00 0.00 177.43 175.95 1bzz h PHE 103 N 0.39 0.88 -0.32 1.19 0.04 -1.35 -1.00 116.94 116.77 1bzz h PHE 103 Ca 0.16 -0.17 -0.15 0.00 2.80 0.00 0.00 57.97 60.61 1bzz h PHE 103 Cb 0.15 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.07 1bzz h PHE 103 CO -0.00 0.88 -0.37 0.00 -0.60 0.00 0.00 178.31 178.22 1bzz h ARG 104 N 0.71 0.83 -0.37 1.51 3.08 -1.24 -1.52 114.38 117.38 1bzz h ARG 104 Ca 0.12 -0.46 -0.01 0.00 0.07 0.00 0.00 59.98 59.70 1bzz h ARG 104 Cb 0.63 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1bzz h ARG 104 CO 0.04 1.09 0.20 -0.07 -1.07 0.00 0.00 179.97 180.17 1bzz h LEU 105 N 0.60 0.47 -0.87 3.04 3.38 -1.11 -1.75 115.31 119.07 1bzz h LEU 105 Ca 0.04 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1bzz h LEU 105 Cb 0.97 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 1bzz h LEU 105 CO 0.09 0.42 0.54 0.25 0.09 0.00 0.00 178.44 179.83 1bzz h LEU 106 N 0.48 1.04 -0.94 1.67 5.85 -1.14 -0.86 115.31 121.40 1bzz h LEU 106 Ca 0.13 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1bzz h LEU 106 Cb 0.06 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 1bzz h LEU 106 CO -0.02 0.79 0.35 1.23 -0.34 0.00 0.00 178.44 180.45 1bzz h GLY 107 N 1.20 1.19 1.35 3.75 0.00 -0.83 0.21 103.07 109.94 1bzz h GLY 107 Ca 0.31 -0.60 -0.17 0.00 0.00 0.00 0.00 47.33 46.88 1bzz h GLY 107 CO -0.06 0.57 -0.54 3.43 0.00 0.00 0.00 176.54 179.93 1bzz h ASN 108 N 1.10 0.76 -0.50 0.19 2.35 -0.76 -2.19 115.58 116.53 1bzz h ASN 108 Ca 0.26 -0.40 -0.07 0.00 -0.55 0.00 0.00 56.30 55.54 1bzz h ASN 108 Cb 0.14 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1bzz h ASN 108 CO -0.03 1.15 0.06 0.58 -1.65 0.00 0.00 177.43 177.53 1bzz h VAL 109 N 0.52 1.25 -0.43 2.81 2.07 -0.85 -2.15 116.25 119.47 1bzz h VAL 109 Ca 0.01 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 1bzz h VAL 109 Cb 1.11 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1bzz h VAL 109 CO 0.11 0.36 0.21 0.25 0.02 0.00 0.00 177.57 178.52 1bzz h LEU 110 N 0.85 0.56 -0.57 2.57 5.85 -0.42 -0.70 115.31 123.45 1bzz h LEU 110 Ca 0.17 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1bzz h LEU 110 Cb 0.42 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1bzz h LEU 110 CO 0.01 0.53 0.36 0.58 -0.34 0.00 0.00 178.44 179.58 1bzz h VAL 111 N 0.56 1.11 -0.82 1.05 2.07 -1.22 -0.60 116.25 118.39 1bzz h VAL 111 Ca 0.15 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1bzz h VAL 111 Cb 0.11 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 1bzz h VAL 111 CO -0.02 0.13 0.38 0.00 0.02 0.00 0.00 177.57 178.09 1bzz h VAL 113 N 1.17 1.19 -0.68 0.00 2.07 -0.56 -0.64 116.25 118.80 1bzz h VAL 113 Ca 0.28 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1bzz h VAL 113 Cb 0.13 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1bzz h VAL 113 CO -0.03 0.21 0.41 -0.07 0.02 0.00 0.00 177.57 178.10 1bzz h LEU 114 N 0.52 0.82 -0.57 2.57 3.38 -0.96 0.45 115.31 121.52 1bzz h LEU 114 Ca 0.14 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1bzz h LEU 114 Cb 0.15 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1bzz h LEU 114 CO -0.01 0.64 0.34 0.00 0.09 0.00 0.00 178.44 179.49 1bzz h ALA 115 N 1.21 0.74 -0.46 1.53 0.00 -0.91 0.23 119.26 121.60 1bzz h ALA 115 Ca 0.24 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1bzz h ALA 115 Cb -0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1bzz h ALA 115 CO -0.05 0.06 0.08 1.25 0.00 0.00 0.00 179.25 180.59 1bzz h HIS 116 N 0.67 0.81 -0.35 0.00 -0.00 -0.69 -0.49 115.15 115.09 1bzz h HIS 116 Ca 0.23 -0.11 -0.04 0.00 -0.00 0.00 0.00 60.37 60.46 1bzz h HIS 116 Cb 0.04 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.21 1bzz h HIS 116 CO -0.06 0.75 0.08 0.45 -0.00 0.00 0.00 177.93 179.15 1bzz h HIS 117 N 0.63 0.60 0.00 5.26 -0.00 -0.58 -3.33 115.15 117.72 1bzz h HIS 117 Ca 0.14 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 1bzz h HIS 117 Cb 0.38 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 1bzz h HIS 117 CO 0.03 0.60 -1.10 1.19 -0.00 0.00 0.00 177.93 178.65 1bzz n PHE 118 N -4.60 0.14 -1.29 2.45 3.72 0.78 -5.05 117.46 113.61 1bzz n PHE 118 Ca -0.01 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1bzz n PHE 118 Cb 0.20 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 1bzz n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bzz n GLY 119 N 1.40 3.19 0.33 1.37 0.00 -0.20 -2.04 105.19 109.25 1bzz n GLY 119 Ca 0.02 -0.16 0.18 0.00 0.00 0.00 0.00 46.02 46.05 1bzz n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1bzz h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 0.69 116.57 119.01 1bzz h LYS 120 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1bzz h LYS 120 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1bzz h LYS 120 CO 0.00 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.38 1bzz h GLU 121 N 0.00 0.00 -4.03 0.07 5.08 -1.81 -3.32 114.58 110.58 1bzz h GLU 121 Ca 0.05 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.68 1bzz h GLU 121 Cb 0.37 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.50 1bzz h GLU 121 CO -0.00 0.00 2.21 0.34 -1.00 0.00 0.00 179.01 180.56 1bzz n PHE 122 N -2.99 3.56 -1.31 4.33 7.35 0.23 -4.93 117.46 123.71 1bzz n PHE 122 Ca 0.01 -2.93 -0.29 0.00 -0.76 0.00 0.00 57.45 53.47 1bzz n PHE 122 Cb 0.28 -2.20 0.14 0.00 0.35 0.00 0.00 39.48 38.05 1bzz n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1bzz s THR 123 N 1.60 2.53 0.23 -2.13 -4.23 -1.25 -4.68 115.64 107.71 1bzz s THR 123 Ca 0.43 0.17 -0.08 0.00 -1.18 0.00 0.00 61.69 61.04 1bzz s THR 123 Cb 0.08 -2.74 0.20 0.00 1.34 0.00 0.00 72.50 71.38 1bzz s THR 123 CO -0.01 -0.22 1.69 -0.65 -0.54 0.00 0.00 174.62 174.88 1bzz h PRO 124 N -1.53 0.25 -0.44 3.99 0.11 -1.93 0.19 132.00 132.63 1bzz h PRO 124 Ca -0.50 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.48 1bzz h PRO 124 Cb 1.30 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1bzz h PRO 124 CO 0.57 0.16 -0.18 -1.35 -0.21 0.00 0.00 178.00 177.00 1bzz h PRO 125 N 0.25 0.86 -0.48 1.05 0.11 -1.99 -1.69 132.00 130.11 1bzz h PRO 125 Ca 0.36 -0.33 -0.09 0.00 0.11 0.00 0.00 66.00 66.05 1bzz h PRO 125 Cb 0.58 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 1bzz h PRO 125 CO -0.47 0.97 -0.06 0.28 -0.21 0.00 0.00 178.00 178.51 1bzz h VAL 126 N 0.76 1.27 -0.15 3.15 2.07 -1.60 -2.34 116.25 119.40 1bzz h VAL 126 Ca 0.11 -1.17 0.04 0.00 0.82 0.00 0.00 66.70 66.49 1bzz h VAL 126 Cb 0.70 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1bzz h VAL 126 CO 0.05 0.41 -0.07 -0.61 0.02 0.00 0.00 177.57 177.37 1bzz h GLN 127 N 0.73 -0.05 -0.78 1.57 4.15 -0.46 -1.66 115.11 118.61 1bzz h GLN 127 Ca 0.13 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.67 1bzz h GLN 127 Cb 0.60 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.22 1bzz h GLN 127 CO 0.04 -0.03 0.39 0.00 -1.93 0.00 0.00 178.83 177.29 1bzz h ALA 128 N 1.09 1.13 -0.13 3.38 0.00 -1.12 0.22 119.26 123.82 1bzz h ALA 128 Ca 0.08 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1bzz h ALA 128 Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1bzz h ALA 128 CO -0.19 -0.08 0.05 0.00 0.00 0.00 0.00 179.25 179.03 1bzz h ALA 129 N 1.50 0.17 -0.15 0.00 0.00 -1.13 -2.08 119.26 117.58 1bzz h ALA 129 Ca 0.41 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1bzz h ALA 129 Cb 0.52 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1bzz h ALA 129 CO -0.33 -0.23 -0.10 1.88 0.00 0.00 0.00 179.25 180.47 1bzz h TYR 130 N 0.05 0.24 -0.64 0.00 0.05 -0.46 -2.28 116.97 113.93 1bzz h TYR 130 Ca 0.04 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 1bzz h TYR 130 Cb 0.19 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 37.83 1bzz h TYR 130 CO -0.01 0.34 0.38 1.96 -1.05 0.00 0.00 178.16 179.78 1bzz h GLN 131 N 0.23 0.87 -0.70 4.88 1.08 -0.29 0.13 115.11 121.30 1bzz h GLN 131 Ca 0.05 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 1bzz h GLN 131 Cb 0.33 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.55 1bzz h GLN 131 CO 0.02 0.63 0.29 0.87 -0.95 0.00 0.00 178.83 179.69 1bzz h LYS 132 N 0.87 1.04 -0.07 1.46 1.57 -0.88 -0.92 116.57 119.65 1bzz h LYS 132 Ca 0.23 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1bzz h LYS 132 Cb -0.02 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 1bzz h LYS 132 CO -0.04 0.86 0.01 0.28 -0.57 0.00 0.00 179.45 179.99 1bzz h VAL 133 N 1.00 1.21 -0.36 0.50 2.07 -1.04 0.11 116.25 119.74 1bzz h VAL 133 Ca 0.24 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 1bzz h VAL 133 Cb 0.19 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1bzz h VAL 133 CO -0.02 0.18 -0.03 -0.37 0.02 0.00 0.00 177.57 177.35 1bzz h VAL 134 N -0.13 1.22 -0.49 2.57 -1.51 -0.61 0.94 116.25 118.23 1bzz h VAL 134 Ca 0.02 -0.89 -0.13 0.00 -1.23 0.00 0.00 66.70 64.47 1bzz h VAL 134 Cb 0.27 0.98 -0.01 0.00 -2.13 0.00 0.00 31.29 30.39 1bzz h VAL 134 CO 0.00 0.30 -0.19 0.00 -1.23 0.00 0.00 177.57 176.45 1bzz h ALA 135 N 1.42 0.72 -0.30 5.19 0.00 -1.05 -2.18 119.26 123.07 1bzz h ALA 135 Ca 0.11 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1bzz h ALA 135 Cb 0.40 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1bzz h ALA 135 CO 0.02 0.67 0.18 0.78 0.00 0.00 0.00 179.25 180.90 1bzz h GLY 136 N 0.89 0.43 1.01 0.00 0.00 -0.17 -1.08 103.07 104.15 1bzz h GLY 136 Ca 0.12 -0.18 -0.09 0.00 0.00 0.00 0.00 47.33 47.18 1bzz h GLY 136 CO 0.06 0.17 -0.06 -2.08 0.00 0.00 0.00 176.54 174.64 1bzz h VAL 137 N 0.38 1.27 -0.69 4.60 2.07 -0.82 -0.30 116.25 122.75 1bzz h VAL 137 Ca 0.11 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.49 1bzz h VAL 137 Cb 0.01 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1bzz h VAL 137 CO -0.02 0.40 0.45 0.00 0.02 0.00 0.00 177.57 178.42 1bzz h ALA 138 N 0.90 0.89 -0.49 1.67 0.00 -1.12 0.45 119.26 121.56 1bzz h ALA 138 Ca 0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1bzz h ALA 138 Cb 0.58 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1bzz h ALA 138 CO 0.04 0.27 0.09 -0.91 0.00 0.00 0.00 179.25 178.73 1bzz h ASN 139 N 0.91 0.78 -0.57 0.00 2.35 -1.08 -1.60 115.58 116.37 1bzz h ASN 139 Ca 0.26 -0.26 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1bzz h ASN 139 Cb -0.06 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 1bzz h ASN 139 CO -0.07 0.83 0.08 0.00 -1.65 0.00 0.00 177.43 176.62 1bzz h ALA 140 N 0.97 1.01 0.00 -0.83 0.00 -0.60 -1.59 119.26 118.22 1bzz h ALA 140 Ca 0.15 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1bzz h ALA 140 Cb 0.38 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1bzz h ALA 140 CO 0.01 0.63 -0.20 -0.07 0.00 0.00 0.00 179.25 179.62 1bzz h LEU 141 N 0.92 0.00 0.00 0.00 3.38 -0.70 -3.14 115.31 115.77 1bzz h LEU 141 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1bzz h LEU 141 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1bzz h LEU 141 CO 0.01 0.20 -0.66 0.00 0.09 0.00 0.00 178.44 178.08 1bzz n ALA 142 N -2.19 3.40 -0.36 1.53 0.00 -0.62 -4.41 120.51 117.87 1bzz n ALA 142 Ca 0.01 -0.34 0.08 0.00 0.00 0.00 0.00 53.44 53.19 1bzz n ALA 142 Cb 0.46 -1.09 0.25 0.00 0.00 0.00 0.00 19.45 19.08 1bzz n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1bzz h HIS 143 N 0.00 1.12 -0.54 0.00 6.17 -1.25 -2.25 115.15 118.40 1bzz h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1bzz h HIS 143 Cb 0.61 -0.35 0.00 0.00 2.52 0.00 0.00 27.41 30.19 1bzz h HIS 143 CO 0.00 0.41 0.00 1.63 0.71 0.00 0.00 177.93 180.68 1bzz n LYS 144 N -4.65 2.31 -2.11 5.26 4.76 -1.26 -4.94 118.16 117.53 1bzz n LYS 144 Ca 0.20 -1.96 -0.38 0.00 -2.87 0.00 0.00 58.31 53.30 1bzz n LYS 144 Cb 0.39 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 1bzz n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1bzz s TYR 145 N -1.31 2.76 0.00 2.13 1.51 -0.85 -4.78 117.35 116.81 1bzz s TYR 145 Ca 0.36 1.47 0.00 0.00 -1.01 0.00 0.00 57.07 57.89 1bzz s TYR 145 Cb 0.19 -3.55 0.00 0.00 -0.11 0.00 0.00 41.96 38.49 1bzz s TYR 145 CO 0.24 -1.94 0.00 -2.39 -1.11 0.00 0.00 175.55 170.35