#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rzr s GLN 3 N 0.00 1.03 0.15 0.00 0.74 -1.26 -0.99 119.66 119.33 1rzr s GLN 3 Ca 0.00 0.08 -0.22 0.00 0.05 0.00 0.00 55.36 55.27 1rzr s GLN 3 Cb 0.00 0.48 0.06 0.00 1.10 0.00 0.00 33.01 34.65 1rzr s GLN 3 CO 0.00 -0.34 0.56 0.21 -0.55 0.00 0.00 175.29 175.17 1rzr s LYS 4 N -1.58 1.24 0.00 1.67 2.47 -0.67 -4.96 119.74 117.90 1rzr s LYS 4 Ca -0.10 -0.52 0.01 0.00 -1.56 0.00 0.00 55.97 53.81 1rzr s LYS 4 Cb -0.01 0.57 -0.00 0.00 -1.46 0.00 0.00 37.83 36.92 1rzr s LYS 4 CO 0.06 -0.53 -0.03 0.99 0.16 0.00 0.00 175.35 176.00 1rzr s THR 5 N -3.76 0.21 0.08 3.43 2.01 -1.26 -0.51 115.64 115.85 1rzr s THR 5 Ca 0.01 -0.18 -0.00 0.00 0.31 0.00 0.00 61.69 61.83 1rzr s THR 5 Cb -0.00 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 1rzr s THR 5 CO -0.13 0.02 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.44 1rzr s PHE 6 N -0.17 0.70 -0.32 4.92 0.40 -0.62 -4.93 117.98 117.97 1rzr s PHE 6 Ca -0.00 -1.06 -0.14 0.00 -0.60 0.00 0.00 56.93 55.13 1rzr s PHE 6 Cb -0.02 -0.45 -0.03 0.00 0.51 0.00 0.00 43.02 43.04 1rzr s PHE 6 CO -0.00 -0.35 0.29 0.95 0.70 0.00 0.00 175.22 176.82 1rzr s THR 7 N -3.87 5.23 0.25 0.64 -4.23 -1.23 -1.28 115.64 111.16 1rzr s THR 7 Ca 0.12 0.08 -0.30 0.00 -1.18 0.00 0.00 61.69 60.41 1rzr s THR 7 Cb 0.07 -3.71 -0.09 0.00 1.34 0.00 0.00 72.50 70.11 1rzr s THR 7 CO -0.06 0.04 1.26 0.68 -0.54 0.00 0.00 174.62 176.00 1rzr s VAL 8 N 1.89 3.13 -0.20 2.29 -7.23 0.08 -2.70 120.40 117.67 1rzr s VAL 8 Ca 0.10 1.02 0.14 0.00 -1.81 0.00 0.00 61.98 61.43 1rzr s VAL 8 Cb -0.17 -3.65 -0.22 0.00 0.56 0.00 0.00 36.38 32.90 1rzr s VAL 8 CO 0.11 0.20 0.01 1.07 -0.31 0.00 0.00 175.10 176.18 1rzr n THR 9 N 1.82 1.31 -1.49 5.32 5.66 0.26 -4.24 114.28 122.92 1rzr n THR 9 Ca 0.03 -0.75 -0.57 0.00 -3.05 0.00 0.00 64.05 59.71 1rzr n THR 9 Cb 0.43 -0.66 -0.07 0.00 -1.55 0.00 0.00 70.33 68.48 1rzr n THR 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rzr n ALA 10 N -2.79 -3.32 0.27 1.79 0.00 -1.00 -4.73 120.51 110.73 1rzr n ALA 10 Ca -0.33 0.57 0.16 0.00 0.00 0.00 0.00 53.44 53.84 1rzr n ALA 10 Cb 1.08 -1.76 0.55 0.00 0.00 0.00 0.00 19.45 19.32 1rzr n ALA 10 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1rzr h ASP 11 N 2.79 0.00 1.27 0.00 3.32 -1.92 -2.44 116.42 119.45 1rzr h ASP 11 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1rzr h ASP 11 Cb 1.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1rzr h ASP 11 CO 0.65 0.00 -0.51 0.77 -1.72 0.00 0.00 179.24 178.42 1rzr h SER 12 N 0.00 0.00 -4.04 6.45 4.64 -1.97 -3.44 113.55 115.20 1rzr h SER 12 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1rzr h SER 12 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1rzr h SER 12 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1rzr n GLY 13 N 1.22 -1.41 3.56 -0.77 0.00 -0.92 -4.47 105.19 102.40 1rzr n GLY 13 Ca 0.03 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 1rzr n GLY 13 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1rzr s ILE 14 N -1.34 3.85 0.19 -0.61 -1.16 -1.19 -4.88 121.20 116.06 1rzr s ILE 14 Ca 0.00 0.56 -0.05 0.00 -0.51 0.00 0.00 60.65 60.65 1rzr s ILE 14 Cb 0.00 -4.84 0.02 0.00 0.61 0.00 0.00 42.46 38.25 1rzr s ILE 14 CO 0.00 -1.66 0.34 1.41 -2.81 0.00 0.00 174.94 172.22 1rzr n HIS 15 N 8.99 -1.39 -0.12 3.50 8.25 -1.26 -4.66 115.22 128.52 1rzr n HIS 15 Ca 0.05 -1.04 0.00 0.00 -0.26 0.00 0.00 57.72 56.47 1rzr n HIS 15 Cb 0.49 0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.99 1rzr n HIS 15 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rzr n ALA 16 N -1.80 0.00 -0.00 -1.41 0.00 -1.26 -1.86 120.51 114.18 1rzr n ALA 16 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 1rzr n ALA 16 Cb 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.66 1rzr n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rzr h ARG 17 N 0.00 -0.52 -0.84 0.00 2.47 -1.99 -1.40 114.38 112.10 1rzr h ARG 17 Ca 0.00 0.04 0.16 0.00 -1.26 0.00 0.00 59.98 58.92 1rzr h ARG 17 Cb 0.00 0.12 -0.15 0.00 -1.65 0.00 0.00 29.97 28.28 1rzr h ARG 17 CO 0.00 -0.35 -0.23 -2.30 0.56 0.00 0.00 179.97 177.65 1rzr n PRO 18 N -5.17 -0.10 -0.02 0.04 -0.02 -1.10 -0.39 135.00 128.24 1rzr n PRO 18 Ca -0.06 1.30 -0.13 0.00 -2.02 0.00 0.00 63.50 62.60 1rzr n PRO 18 Cb 0.35 -1.95 -0.08 0.00 -0.02 0.00 0.00 33.50 31.79 1rzr n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rzr h ALA 19 N 1.58 0.08 0.00 3.55 0.00 -0.86 -1.28 119.26 122.33 1rzr h ALA 19 Ca 0.38 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1rzr h ALA 19 Cb 0.59 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1rzr h ALA 19 CO -0.86 -0.17 -0.12 1.79 0.00 0.00 0.00 179.25 179.90 1rzr h THR 20 N -0.27 0.82 0.00 0.00 1.35 0.38 0.12 112.91 115.30 1rzr h THR 20 Ca 0.01 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1rzr h THR 20 Cb 0.47 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1rzr h THR 20 CO 0.01 0.11 -0.36 0.71 -0.25 0.00 0.00 175.52 175.74 1rzr h THR 21 N 0.00 0.00 0.00 6.82 1.35 -0.72 -2.64 112.91 117.73 1rzr h THR 21 Ca -0.00 -0.60 -0.06 0.00 -0.55 0.00 0.00 66.41 65.20 1rzr h THR 21 Cb 0.24 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.03 1rzr h THR 21 CO 0.01 0.00 -0.39 0.25 -0.25 0.00 0.00 175.52 175.14 1rzr h LEU 22 N 0.00 0.00 -2.00 3.87 5.85 -0.23 -2.30 115.31 120.49 1rzr h LEU 22 Ca 0.00 -0.58 0.17 0.00 0.84 0.00 0.00 57.88 58.31 1rzr h LEU 22 Cb 0.80 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1rzr h LEU 22 CO 0.00 1.02 0.44 0.58 -0.34 0.00 0.00 178.44 180.13 1rzr h VAL 23 N -1.00 0.65 0.01 1.05 2.07 -0.91 0.15 116.25 118.27 1rzr h VAL 23 Ca -0.09 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.28 1rzr h VAL 23 Cb 0.85 0.69 0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1rzr h VAL 23 CO -0.06 0.00 -0.59 -0.61 0.02 0.00 0.00 177.57 176.33 1rzr h GLN 24 N 0.00 0.38 -0.78 1.57 4.15 -1.54 -2.52 115.11 116.38 1rzr h GLN 24 Ca 0.28 -0.42 0.15 0.00 0.77 0.00 0.00 58.65 59.42 1rzr h GLN 24 Cb 1.15 0.12 -0.10 0.00 0.21 0.00 0.00 27.48 28.86 1rzr h GLN 24 CO -0.00 1.10 0.33 0.00 -1.93 0.00 0.00 178.83 178.32 1rzr h ALA 25 N 0.30 1.12 0.41 3.38 0.00 -0.20 -0.14 119.26 124.13 1rzr h ALA 25 Ca -0.08 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1rzr h ALA 25 Cb 1.31 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1rzr h ALA 25 CO 0.12 -0.20 -0.48 0.00 0.00 0.00 0.00 179.25 178.68 1rzr h ALA 26 N 1.56 -1.11 0.00 0.00 0.00 -0.92 -2.25 119.26 116.54 1rzr h ALA 26 Ca 0.43 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1rzr h ALA 26 Cb 0.65 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1rzr h ALA 26 CO -0.40 -1.15 0.45 0.77 0.00 0.00 0.00 179.25 178.92 1rzr h SER 27 N -0.91 0.00 0.00 0.00 0.02 -0.59 0.38 113.55 112.45 1rzr h SER 27 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1rzr h SER 27 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1rzr h SER 27 CO -0.10 0.00 0.00 1.17 -1.14 0.00 0.00 176.83 176.76 1rzr n LYS 28 N -2.31 0.96 -4.60 3.45 4.81 -0.81 -4.78 118.16 114.87 1rzr n LYS 28 Ca -0.01 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.20 1rzr n LYS 28 Cb 0.48 -1.47 -0.14 0.00 0.02 0.00 0.00 35.03 33.92 1rzr n LYS 28 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1rzr s PHE 29 N -2.00 1.43 -0.10 5.64 0.08 0.13 -5.05 117.98 118.11 1rzr s PHE 29 Ca 0.43 -0.31 0.16 0.00 0.12 0.00 0.00 56.93 57.32 1rzr s PHE 29 Cb 0.20 -0.88 0.16 0.00 -0.57 0.00 0.00 43.02 41.93 1rzr s PHE 29 CO 0.33 0.02 1.49 0.38 -0.10 0.00 0.00 175.22 177.34 1rzr h ASP 30 N 5.34 0.00 -3.57 1.36 -0.00 -1.86 -3.46 116.42 114.23 1rzr h ASP 30 Ca -0.38 0.00 -0.55 0.00 -0.00 0.00 0.00 57.03 56.10 1rzr h ASP 30 Cb 1.16 0.00 0.19 0.00 -0.00 0.00 0.00 39.33 40.68 1rzr h ASP 30 CO 0.46 0.49 -0.13 -1.20 -0.00 0.00 0.00 179.24 178.86 1rzr n SER 31 N -3.27 -0.37 -4.73 4.15 7.64 -1.26 -4.90 113.62 110.87 1rzr n SER 31 Ca 0.02 0.59 -0.41 0.00 1.01 0.00 0.00 58.87 60.08 1rzr n SER 31 Cb 0.70 -1.32 -0.05 0.00 -1.01 0.00 0.00 64.21 62.53 1rzr n SER 31 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1rzr s ASP 32 N -1.68 7.51 -0.02 6.43 1.01 0.37 -4.76 116.67 125.53 1rzr s ASP 32 Ca 0.68 1.81 0.03 0.00 0.71 0.00 0.00 52.55 55.79 1rzr s ASP 32 Cb -0.33 -2.59 -0.00 0.00 1.01 0.00 0.00 42.92 41.01 1rzr s ASP 32 CO 0.55 -0.04 -0.12 -0.63 0.21 0.00 0.00 175.17 175.14 1rzr s ILE 33 N -0.15 0.99 0.13 0.77 1.01 -1.26 0.38 121.20 123.08 1rzr s ILE 33 Ca 0.46 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.65 1rzr s ILE 33 Cb -0.24 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 1rzr s ILE 33 CO 0.30 0.29 -0.11 0.20 0.00 0.00 0.00 174.94 175.62 1rzr s ASN 34 N -0.08 1.76 -0.19 3.58 -0.87 -0.05 -0.80 114.94 118.28 1rzr s ASN 34 Ca 0.01 -0.95 0.01 0.00 -1.57 0.00 0.00 52.86 50.36 1rzr s ASN 34 Cb -0.07 -0.01 0.02 0.00 -0.02 0.00 0.00 41.25 41.17 1rzr s ASN 34 CO 0.00 -0.30 -0.18 -0.22 -2.57 0.00 0.00 177.10 173.84 1rzr s LEU 35 N -2.95 2.30 -0.15 0.60 2.96 0.10 -2.31 118.68 119.24 1rzr s LEU 35 Ca 0.14 -0.70 -0.05 0.00 -0.22 0.00 0.00 54.13 53.30 1rzr s LEU 35 Cb 0.01 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 1rzr s LEU 35 CO 0.01 -0.02 0.04 -0.70 -1.32 0.00 0.00 176.35 174.36 1rzr s GLU 36 N 1.29 3.65 -0.29 1.98 2.56 0.39 -1.12 118.70 127.15 1rzr s GLU 36 Ca 0.04 -0.36 -0.15 0.00 0.00 0.00 0.00 54.97 54.49 1rzr s GLU 36 Cb -0.14 -3.07 0.12 0.00 2.00 0.00 0.00 34.13 33.05 1rzr s GLU 36 CO -0.12 0.42 0.82 0.12 -0.56 0.00 0.00 175.26 175.95 1rzr s PHE 37 N -0.07 -0.87 -1.33 5.30 2.19 0.14 -1.26 117.98 122.09 1rzr s PHE 37 Ca 0.05 1.68 -0.05 0.00 0.33 0.00 0.00 56.93 58.95 1rzr s PHE 37 Cb -0.12 0.52 -0.00 0.00 -1.31 0.00 0.00 43.02 42.10 1rzr s PHE 37 CO 0.01 -0.43 0.55 -1.71 1.83 0.00 0.00 175.22 175.47 1rzr n ASN 38 N 4.25 -1.55 -0.09 6.13 5.15 -1.26 -0.41 115.26 127.47 1rzr n ASN 38 Ca -0.18 -0.98 -0.01 0.00 -0.60 0.00 0.00 54.58 52.81 1rzr n ASN 38 Cb 0.57 -3.28 -0.01 0.00 -0.53 0.00 0.00 39.78 36.53 1rzr n ASN 38 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1rzr n GLY 39 N -1.85 0.11 3.65 8.20 0.00 -1.26 -4.95 105.19 109.09 1rzr n GLY 39 Ca -0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 1rzr n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rzr s LYS 40 N -2.00 2.38 -0.06 1.61 -0.14 0.45 -5.13 119.74 116.85 1rzr s LYS 40 Ca 0.00 -0.98 -0.03 0.00 -1.36 0.00 0.00 55.97 53.59 1rzr s LYS 40 Cb 0.00 -2.41 0.03 0.00 -1.68 0.00 0.00 37.83 33.77 1rzr s LYS 40 CO 0.00 0.50 0.15 0.99 -0.76 0.00 0.00 175.35 176.23 1rzr s THR 41 N -1.43 -0.04 0.12 2.17 2.01 -1.26 0.27 115.64 117.48 1rzr s THR 41 Ca 0.25 0.14 -0.00 0.00 0.31 0.00 0.00 61.69 62.39 1rzr s THR 41 Cb -0.11 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 72.13 1rzr s THR 41 CO 0.17 0.06 0.03 0.68 -0.69 0.00 0.00 174.62 174.87 1rzr s VAL 42 N 0.95 0.24 -0.19 3.82 -7.23 -0.28 -4.93 120.40 112.78 1rzr s VAL 42 Ca -0.07 -1.90 -0.29 0.00 -1.81 0.00 0.00 61.98 57.90 1rzr s VAL 42 Cb -0.09 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 1rzr s VAL 42 CO -0.05 -0.58 1.80 0.21 -0.31 0.00 0.00 175.10 176.18 1rzr s ASN 43 N -3.05 6.17 0.06 4.85 2.47 -1.26 0.02 114.94 124.21 1rzr s ASN 43 Ca 0.21 1.80 0.10 0.00 0.42 0.00 0.00 52.86 55.39 1rzr s ASN 43 Cb 0.07 -2.53 0.45 0.00 -1.45 0.00 0.00 41.25 37.80 1rzr s ASN 43 CO -0.00 -1.40 1.31 -0.11 -3.72 0.00 0.00 177.10 173.18 1rzr n LEU 44 N 9.08 0.13 -3.38 3.21 -0.00 0.02 -4.41 117.00 121.65 1rzr n LEU 44 Ca 0.21 0.55 -0.39 0.00 -0.00 0.00 0.00 56.01 56.38 1rzr n LEU 44 Cb 0.45 -0.55 -0.01 0.00 -0.00 0.00 0.00 43.42 43.30 1rzr n LEU 44 CO 0.66 -0.47 2.58 0.29 -0.00 0.00 0.00 177.39 180.44 1rzr n LYS 45 N -1.66 4.28 0.00 1.96 5.02 -1.26 -4.36 118.16 122.13 1rzr n LYS 45 Ca 0.01 -3.10 0.00 0.00 -2.02 0.00 0.00 58.31 53.20 1rzr n LYS 45 Cb 0.09 -2.64 0.00 0.00 -0.02 0.00 0.00 35.03 32.46 1rzr n LYS 45 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1rzr n ILE 47 N 2.10 0.00 -0.29 -0.18 -5.35 -1.26 -4.83 119.36 109.54 1rzr n ILE 47 Ca 0.65 0.00 0.16 0.00 -0.27 0.00 0.00 62.75 63.29 1rzr n ILE 47 Cb 0.27 -0.95 0.42 0.00 -1.74 0.00 0.00 39.64 37.63 1rzr n ILE 47 CO 0.00 0.00 0.00 -0.03 -1.76 0.00 0.00 176.55 174.76 1rzr h MET 48 N 0.00 0.57 0.00 6.28 4.05 -1.96 0.55 114.93 124.41 1rzr h MET 48 Ca 0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1rzr h MET 48 Cb 0.60 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.27 1rzr h MET 48 CO 0.00 0.38 0.00 0.41 0.23 0.00 0.00 176.91 177.93 1rzr n GLY 49 N -1.43 -1.72 0.33 1.39 0.00 -1.26 -2.62 105.19 99.87 1rzr n GLY 49 Ca 0.21 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.41 1rzr n GLY 49 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1rzr h VAL 50 N 0.00 0.35 0.00 1.61 2.07 -1.67 -0.20 116.25 118.41 1rzr h VAL 50 Ca 0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1rzr h VAL 50 Cb 0.00 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.76 1rzr h VAL 50 CO 0.00 0.06 0.00 0.23 0.02 0.00 0.00 177.57 177.88 1rzr n MET 51 N -5.08 0.21 0.17 1.57 2.00 0.19 -2.78 117.12 113.40 1rzr n MET 51 Ca 0.27 0.26 0.13 0.00 0.00 0.00 0.00 57.70 58.36 1rzr n MET 51 Cb 0.83 -1.79 0.36 0.00 0.00 0.00 0.00 33.22 32.62 1rzr n MET 51 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1rzr h SER 52 N 0.00 0.00 0.79 7.83 4.64 -0.77 -3.34 113.55 122.70 1rzr h SER 52 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1rzr h SER 52 Cb 0.59 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1rzr h SER 52 CO 0.00 0.00 -0.38 -0.07 -0.87 0.00 0.00 176.83 175.51 1rzr h LEU 53 N 0.00 -0.89 0.00 5.97 3.38 -1.58 -3.48 115.31 118.71 1rzr h LEU 53 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1rzr h LEU 53 Cb 0.77 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1rzr h LEU 53 CO 0.00 -0.56 0.00 0.61 0.09 0.00 0.00 178.44 178.58 1rzr n GLY 54 N -1.12 1.32 3.56 0.83 0.00 -1.25 -4.99 105.19 103.54 1rzr n GLY 54 Ca -0.14 -0.25 -0.49 0.00 0.00 0.00 0.00 46.02 45.14 1rzr n GLY 54 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rzr n ILE 55 N -1.94 0.34 -2.25 -0.61 5.41 -1.26 -4.94 119.36 114.10 1rzr n ILE 55 Ca 0.00 -0.24 -0.26 0.00 1.00 0.00 0.00 62.75 63.24 1rzr n ILE 55 Cb 0.08 -1.87 0.12 0.00 -0.71 0.00 0.00 39.64 37.26 1rzr n ILE 55 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1rzr s GLN 56 N 5.46 1.46 0.44 0.38 1.11 -1.26 -3.19 119.66 124.06 1rzr s GLN 56 Ca 1.02 -0.63 0.11 0.00 0.01 0.00 0.00 55.36 55.87 1rzr s GLN 56 Cb -0.72 -2.12 0.97 0.00 -1.01 0.00 0.00 33.01 30.14 1rzr s GLN 56 CO 0.48 -1.72 2.04 1.57 0.01 0.00 0.00 175.29 177.67 1rzr h LYS 57 N -0.93 0.26 -0.21 2.91 2.10 -1.85 -3.01 116.57 115.83 1rzr h LYS 57 Ca -0.41 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1rzr h LYS 57 Cb 1.27 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1rzr h LYS 57 CO 0.45 0.24 0.00 0.41 -2.00 0.00 0.00 179.45 178.55 1rzr n GLY 58 N -1.30 1.05 3.71 0.07 0.00 -1.26 -4.07 105.19 103.38 1rzr n GLY 58 Ca -0.00 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 1rzr n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rzr s ALA 59 N -1.74 1.89 -0.11 4.61 0.00 -1.14 -4.66 121.76 120.61 1rzr s ALA 59 Ca 0.35 0.72 -0.01 0.00 0.00 0.00 0.00 51.96 53.01 1rzr s ALA 59 Cb 0.21 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 1rzr s ALA 59 CO 0.30 -2.20 -0.05 0.95 0.00 0.00 0.00 175.76 174.76 1rzr s THR 60 N -2.32 3.79 0.03 0.00 -4.23 -1.26 -0.74 115.64 110.92 1rzr s THR 60 Ca 0.70 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 1rzr s THR 60 Cb -0.26 -2.60 -0.03 0.00 1.34 0.00 0.00 72.50 70.96 1rzr s THR 60 CO 0.51 0.56 -0.04 0.27 -0.54 0.00 0.00 174.62 175.38 1rzr s ILE 61 N -0.32 0.20 -0.10 2.99 -5.25 -0.40 -4.59 121.20 113.72 1rzr s ILE 61 Ca 0.05 -1.18 0.04 0.00 -0.99 0.00 0.00 60.65 58.57 1rzr s ILE 61 Cb -0.12 -0.65 0.00 0.00 2.95 0.00 0.00 42.46 44.64 1rzr s ILE 61 CO 0.02 -0.62 -0.22 -0.89 -1.79 0.00 0.00 174.94 171.44 1rzr s THR 62 N -2.11 1.95 -0.29 8.37 2.01 -0.39 -1.59 115.64 123.60 1rzr s THR 62 Ca -0.09 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 60.97 1rzr s THR 62 Cb -0.05 -1.70 0.06 0.00 0.01 0.00 0.00 72.50 70.82 1rzr s THR 62 CO -0.03 0.54 -0.04 -0.51 -0.69 0.00 0.00 174.62 173.88 1rzr s ILE 63 N 0.43 2.48 0.17 1.82 1.10 0.34 -0.47 121.20 127.07 1rzr s ILE 63 Ca -0.17 -1.68 0.11 0.00 -0.51 0.00 0.00 60.65 58.39 1rzr s ILE 63 Cb -0.17 -2.51 -0.04 0.00 0.15 0.00 0.00 42.46 39.88 1rzr s ILE 63 CO 0.07 -0.16 -0.23 -0.94 -2.11 0.00 0.00 174.94 171.57 1rzr s SER 64 N 1.15 3.53 -0.17 4.50 1.04 -0.98 -1.67 113.70 121.11 1rzr s SER 64 Ca -0.04 -0.79 -0.08 0.00 0.48 0.00 0.00 55.95 55.52 1rzr s SER 64 Cb -0.20 -0.32 0.06 0.00 0.10 0.00 0.00 66.02 65.66 1rzr s SER 64 CO -0.04 0.14 0.39 0.00 0.98 0.00 0.00 173.24 174.70 1rzr s ALA 65 N -1.49 -0.99 -0.07 5.32 0.00 -0.16 -0.87 121.76 123.50 1rzr s ALA 65 Ca 0.19 1.44 0.01 0.00 0.00 0.00 0.00 51.96 53.60 1rzr s ALA 65 Cb -0.09 -0.97 0.02 0.00 0.00 0.00 0.00 23.12 22.09 1rzr s ALA 65 CO 0.10 -0.36 -0.08 -1.83 0.00 0.00 0.00 175.76 173.59 1rzr s GLU 66 N 1.64 1.32 0.00 0.00 -1.05 0.16 -4.44 118.70 116.33 1rzr s GLU 66 Ca -0.08 -0.25 0.00 0.00 -0.15 0.00 0.00 54.97 54.50 1rzr s GLU 66 Cb -0.09 -1.25 0.00 0.00 -0.44 0.00 0.00 34.13 32.35 1rzr s GLU 66 CO -0.12 -0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.40 1rzr n GLY 67 N 4.25 -0.78 0.23 -3.83 0.00 -1.26 -0.48 105.19 103.32 1rzr n GLY 67 Ca -0.20 -1.13 -0.06 0.00 0.00 0.00 0.00 46.02 44.62 1rzr n GLY 67 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rzr h SER 68 N 0.00 -1.12 -0.60 1.61 4.64 -1.98 0.23 113.55 116.33 1rzr h SER 68 Ca 0.00 0.16 0.17 0.00 -0.47 0.00 0.00 61.79 61.66 1rzr h SER 68 Cb 0.00 0.49 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 1rzr h SER 68 CO 0.00 -0.15 0.53 -2.24 -0.87 0.00 0.00 176.83 174.10 1rzr h ASP 69 N -0.06 0.00 0.00 4.97 3.04 -1.95 -3.39 116.42 119.02 1rzr h ASP 69 Ca 0.07 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.86 1rzr h ASP 69 Cb 0.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.54 1rzr h ASP 69 CO -0.45 0.00 0.00 1.21 -2.04 0.00 0.00 179.24 177.96 1rzr n GLU 70 N -3.94 0.00 0.21 4.15 2.13 0.07 -0.99 120.64 122.27 1rzr n GLU 70 Ca 0.12 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.85 1rzr n GLU 70 Cb 0.76 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.43 1rzr n GLU 70 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1rzr h ALA 71 N 0.00 -0.73 -0.10 4.31 0.00 -1.84 -2.80 119.26 118.09 1rzr h ALA 71 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1rzr h ALA 71 Cb 0.00 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1rzr h ALA 71 CO 0.00 -0.69 0.52 -0.44 0.00 0.00 0.00 179.25 178.64 1rzr h ASP 72 N -0.85 0.00 0.53 0.00 5.19 -1.41 1.70 116.42 121.57 1rzr h ASP 72 Ca -0.06 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.11 1rzr h ASP 72 Cb 0.43 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.94 1rzr h ASP 72 CO 0.09 0.00 -1.09 0.00 -3.12 0.00 0.00 179.24 175.13 1rzr h ALA 73 N 1.05 0.25 0.00 3.45 0.00 -1.45 -2.76 119.26 119.80 1rzr h ALA 73 Ca 0.05 -0.80 -0.15 0.00 0.00 0.00 0.00 54.91 54.00 1rzr h ALA 73 Cb 1.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1rzr h ALA 73 CO -0.00 0.91 -0.72 -0.07 0.00 0.00 0.00 179.25 179.38 1rzr h LEU 74 N 0.13 0.00 -0.14 0.00 -0.00 0.28 -1.72 115.31 113.85 1rzr h LEU 74 Ca -0.10 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.65 1rzr h LEU 74 Cb 1.77 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.43 1rzr h LEU 74 CO 0.18 0.72 -0.43 0.00 -0.00 0.00 0.00 178.44 178.91 1rzr h ALA 75 N 1.28 0.25 0.22 1.53 0.00 -1.42 -1.05 119.26 120.07 1rzr h ALA 75 Ca -0.01 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1rzr h ALA 75 Cb 1.42 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1rzr h ALA 75 CO 0.09 0.37 -0.19 0.00 0.00 0.00 0.00 179.25 179.52 1rzr h ALA 76 N 0.53 -0.94 -0.25 0.00 0.00 -1.47 0.30 119.26 117.44 1rzr h ALA 76 Ca -0.01 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1rzr h ALA 76 Cb 1.05 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1rzr h ALA 76 CO 0.09 -0.94 0.43 -0.07 0.00 0.00 0.00 179.25 178.76 1rzr h LEU 77 N -0.41 0.00 -0.02 0.00 3.38 -1.38 0.51 115.31 117.40 1rzr h LEU 77 Ca -0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1rzr h LEU 77 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1rzr h LEU 77 CO -0.01 0.00 -0.25 -0.08 0.09 0.00 0.00 178.44 178.19 1rzr h GLU 78 N 0.00 0.20 0.22 1.13 4.81 0.07 -2.80 114.58 118.21 1rzr h GLU 78 Ca 0.12 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1rzr h GLU 78 Cb 0.97 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1rzr h GLU 78 CO -0.00 0.90 -0.20 0.22 -0.73 0.00 0.00 179.01 179.20 1rzr h ASP 79 N -0.43 -0.54 -0.27 1.04 1.82 0.37 -2.59 116.42 115.83 1rzr h ASP 79 Ca -0.03 0.04 0.08 0.00 -0.39 0.00 0.00 57.03 56.73 1rzr h ASP 79 Cb 0.97 0.18 -0.01 0.00 0.68 0.00 0.00 39.33 41.15 1rzr h ASP 79 CO 0.05 -0.27 0.37 0.71 -1.61 0.00 0.00 179.24 178.49 1rzr h THR 80 N -0.41 0.29 0.00 2.25 1.35 -1.43 0.72 112.91 115.69 1rzr h THR 80 Ca -0.03 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.77 1rzr h THR 80 Cb 0.35 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 67.45 1rzr h THR 80 CO -0.02 0.00 -0.28 0.24 -0.25 0.00 0.00 175.52 175.21 1rzr h MET 81 N 0.00 0.00 0.00 4.72 2.86 -1.18 0.29 114.93 121.62 1rzr h MET 81 Ca 0.13 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.62 1rzr h MET 81 Cb 0.87 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 1rzr h MET 81 CO -0.00 0.28 -0.90 1.03 1.06 0.00 0.00 176.91 178.38 1rzr h SER 82 N 0.00 0.00 0.07 1.22 0.87 0.61 0.64 113.55 116.96 1rzr h SER 82 Ca -0.00 -0.47 0.02 0.00 -1.23 0.00 0.00 61.79 60.11 1rzr h SER 82 Cb 0.72 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.63 1rzr h SER 82 CO 0.04 1.26 -0.47 0.11 -0.53 0.00 0.00 176.83 177.23 1rzr h LYS 83 N -1.00 -0.64 0.00 2.24 1.57 -0.92 0.75 116.57 118.57 1rzr h LYS 83 Ca -0.23 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1rzr h LYS 83 Cb 1.07 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1rzr h LYS 83 CO -0.14 -0.43 0.00 0.39 -0.57 0.00 0.00 179.45 178.71 1rzr n GLU 84 N -5.47 0.08 -2.06 3.15 -0.58 0.10 -4.79 120.64 111.07 1rzr n GLU 84 Ca -0.07 0.24 -0.20 0.00 -0.42 0.00 0.00 57.16 56.71 1rzr n GLU 84 Cb 0.39 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.72 1rzr n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rzr n GLY 85 N -0.78 0.49 0.23 0.62 0.00 0.26 -4.90 105.19 101.12 1rzr n GLY 85 Ca 0.03 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1rzr n GLY 85 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rzr h LEU 86 N 0.00 0.74 0.00 0.99 3.38 0.04 -2.65 115.31 117.82 1rzr h LEU 86 Ca -0.45 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.16 1rzr h LEU 86 Cb 1.33 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1rzr h LEU 86 CO 0.58 1.09 0.00 0.61 0.09 0.00 0.00 178.44 180.81 1rzr n GLY 87 N 0.16 -0.98 0.00 0.83 0.00 -0.61 0.92 105.19 105.51 1rzr n GLY 87 Ca -0.03 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1rzr n GLY 87 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48