#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnr s GLN 2 N 0.00 1.30 0.22 0.00 -1.52 -1.26 -5.07 119.66 113.32 1bnr s GLN 2 Ca 0.00 -1.81 0.00 0.00 -1.95 0.00 0.00 55.36 51.60 1bnr s GLN 2 Cb 0.00 -2.67 0.00 0.00 -0.22 0.00 0.00 33.01 30.12 1bnr s GLN 2 CO 0.00 -1.04 0.00 0.28 -0.25 0.00 0.00 175.29 174.28 1bnr n VAL 3 N 4.05 0.00 -3.73 1.09 0.31 -1.26 -4.57 118.33 114.21 1bnr n VAL 3 Ca 0.04 0.05 -0.28 0.00 -0.01 0.00 0.00 64.34 64.14 1bnr n VAL 3 Cb 0.38 -0.35 -0.11 0.00 -0.91 0.00 0.00 33.84 32.85 1bnr n VAL 3 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1bnr n ILE 4 N -2.87 1.10 -3.04 2.52 5.41 -1.26 -4.91 119.36 116.31 1bnr n ILE 4 Ca 0.00 -4.60 -0.15 0.00 1.00 0.00 0.00 62.75 58.99 1bnr n ILE 4 Cb 0.60 -2.07 -0.01 0.00 -0.71 0.00 0.00 39.64 37.46 1bnr n ILE 4 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1bnr n ASN 5 N 1.99 0.66 -0.89 4.38 6.94 -1.26 -4.62 115.26 122.47 1bnr n ASN 5 Ca 0.23 -2.99 0.00 0.00 -0.02 0.00 0.00 54.58 51.80 1bnr n ASN 5 Cb 0.39 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 1bnr n ASN 5 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1bnr n THR 6 N 0.20 0.00 0.02 5.53 -2.24 -1.26 -1.40 114.28 115.13 1bnr n THR 6 Ca 0.20 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.92 1bnr n THR 6 Cb 0.70 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.89 1bnr n THR 6 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1bnr h PHE 7 N 0.89 -0.16 -0.15 4.78 0.04 -1.95 -1.99 116.94 118.40 1bnr h PHE 7 Ca 0.00 -0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 1bnr h PHE 7 Cb 0.00 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1bnr h PHE 7 CO 0.00 0.10 -0.53 -0.44 -0.60 0.00 0.00 178.31 176.84 1bnr h ASP 8 N -1.01 0.48 0.17 2.17 5.19 -1.98 -0.95 116.42 120.50 1bnr h ASP 8 Ca -0.02 -0.25 -0.01 0.00 -0.62 0.00 0.00 57.03 56.14 1bnr h ASP 8 Cb 0.33 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.70 1bnr h ASP 8 CO 0.03 0.92 -0.08 1.23 -3.12 0.00 0.00 179.24 178.22 1bnr h GLY 9 N 1.19 -0.24 0.91 2.75 0.00 -1.96 -0.31 103.07 105.40 1bnr h GLY 9 Ca 0.01 0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 1bnr h GLY 9 CO 0.09 -0.09 0.10 -2.08 0.00 0.00 0.00 176.54 174.56 1bnr h VAL 10 N -0.63 1.21 -0.77 4.60 2.07 -1.40 -1.48 116.25 119.84 1bnr h VAL 10 Ca -0.02 -0.68 0.08 0.00 0.82 0.00 0.00 66.70 66.90 1bnr h VAL 10 Cb 0.46 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 1bnr h VAL 10 CO 0.04 0.23 0.51 0.00 0.02 0.00 0.00 177.57 178.37 1bnr h ALA 11 N 0.94 1.73 0.52 1.67 0.00 -1.19 0.13 119.26 123.06 1bnr h ALA 11 Ca 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1bnr h ALA 11 Cb 0.26 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1bnr h ALA 11 CO -0.00 0.13 -0.25 -0.44 0.00 0.00 0.00 179.25 178.68 1bnr h ASP 12 N 0.75 -0.59 -0.01 0.00 3.32 -0.31 -1.38 116.42 118.20 1bnr h ASP 12 Ca 0.35 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1bnr h ASP 12 Cb 0.37 0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 1bnr h ASP 12 CO -0.13 -0.31 0.04 0.22 -1.72 0.00 0.00 179.24 177.35 1bnr h TYR 13 N -0.88 0.00 0.40 4.55 5.03 -0.62 0.23 116.97 125.68 1bnr h TYR 13 Ca -0.07 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.22 1bnr h TYR 13 Cb 0.60 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.89 1bnr h TYR 13 CO -0.01 0.00 -0.19 -0.07 -1.32 0.00 0.00 178.16 176.57 1bnr h LEU 14 N 0.00 -0.45 0.00 2.82 3.38 0.06 -1.21 115.31 119.92 1bnr h LEU 14 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1bnr h LEU 14 Cb 0.09 0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1bnr h LEU 14 CO -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.44 1bnr n GLN 15 N -4.76 0.06 -0.01 1.13 6.02 -0.60 0.72 117.38 119.93 1bnr n GLN 15 Ca -0.07 0.20 -0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1bnr n GLN 15 Cb 0.21 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.97 1bnr n GLN 15 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1bnr h THR 16 N 0.00 0.00 -0.26 5.09 2.02 -0.46 -3.39 112.91 115.91 1bnr h THR 16 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1bnr h THR 16 Cb 0.25 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1bnr h THR 16 CO 0.00 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.67 1bnr n TYR 17 N -2.68 0.33 -3.82 3.16 4.01 -0.46 -4.95 117.16 112.74 1bnr n TYR 17 Ca -0.01 -0.16 -0.24 0.00 -0.16 0.00 0.00 57.90 57.33 1bnr n TYR 17 Cb 0.03 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.06 1bnr n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bnr n HIS 18 N 1.00 -1.78 0.00 -0.72 8.25 0.22 -4.93 115.22 117.26 1bnr n HIS 18 Ca 0.18 0.77 0.00 0.00 -0.26 0.00 0.00 57.72 58.41 1bnr n HIS 18 Cb 0.49 -4.02 0.00 0.00 1.12 0.00 0.00 29.99 27.59 1bnr n HIS 18 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1bnr n LYS 19 N -4.32 0.00 -1.33 -0.41 2.85 -1.22 -5.04 118.16 108.69 1bnr n LYS 19 Ca -0.29 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.58 1bnr n LYS 19 Cb 0.68 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 35.08 1bnr n LYS 19 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1bnr n LEU 20 N 0.00 -1.73 -4.41 -5.58 4.77 -1.26 -4.63 117.00 104.16 1bnr n LEU 20 Ca 0.00 0.68 -0.32 0.00 -0.03 0.00 0.00 56.01 56.33 1bnr n LEU 20 Cb 0.00 -0.99 0.15 0.00 -2.33 0.00 0.00 43.42 40.24 1bnr n LEU 20 CO 0.00 -4.04 -0.09 -2.65 -1.33 0.00 0.00 177.39 169.28 1bnr n PRO 21 N 0.80 -0.76 0.00 3.23 -0.02 -1.26 -4.82 135.00 132.17 1bnr n PRO 21 Ca 0.09 -0.19 0.07 0.00 -2.02 0.00 0.00 63.50 61.46 1bnr n PRO 21 Cb 0.48 -1.89 0.37 0.00 -0.02 0.00 0.00 33.50 32.44 1bnr n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1bnr n ASP 22 N -1.91 0.00 -0.47 2.55 8.00 -1.26 -1.67 116.55 121.79 1bnr n ASP 22 Ca 0.05 0.18 0.14 0.00 0.71 0.00 0.00 54.79 55.87 1bnr n ASP 22 Cb 0.56 -0.34 0.46 0.00 -0.02 0.00 0.00 41.12 41.77 1bnr n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1bnr n ASN 23 N -1.34 1.52 -4.42 -2.24 0.23 -1.26 -4.68 115.26 103.07 1bnr n ASN 23 Ca 0.06 -1.41 -0.45 0.00 -0.53 0.00 0.00 54.58 52.25 1bnr n ASN 23 Cb 0.14 0.03 -0.03 0.00 -2.08 0.00 0.00 39.78 37.84 1bnr n ASN 23 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 1bnr s TYR 24 N -2.11 3.22 -0.29 -2.53 2.02 -0.67 -1.11 117.35 115.88 1bnr s TYR 24 Ca 0.34 -1.43 -0.14 0.00 -0.37 0.00 0.00 57.07 55.47 1bnr s TYR 24 Cb 0.21 -4.16 -0.03 0.00 -0.40 0.00 0.00 41.96 37.57 1bnr s TYR 24 CO 0.37 -1.38 0.34 0.96 -1.57 0.00 0.00 175.55 174.28 1bnr s ILE 25 N 2.23 5.19 1.02 2.71 -5.25 0.16 -4.53 121.20 122.73 1bnr s ILE 25 Ca 0.27 0.35 -0.23 0.00 -0.99 0.00 0.00 60.65 60.06 1bnr s ILE 25 Cb -0.08 -3.71 -0.12 0.00 2.95 0.00 0.00 42.46 41.50 1bnr s ILE 25 CO -0.07 0.10 -0.96 0.35 -1.79 0.00 0.00 174.94 172.57 1bnr n THR 26 N 5.15 0.00 -0.17 8.37 -2.24 -1.22 -3.90 114.28 120.27 1bnr n THR 26 Ca -0.09 -0.19 -0.09 0.00 -2.27 0.00 0.00 64.05 61.41 1bnr n THR 26 Cb 0.51 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1bnr n THR 26 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1bnr h LYS 27 N -1.23 0.75 -0.97 -0.78 1.57 -1.90 -1.92 116.57 112.09 1bnr h LYS 27 Ca -0.43 -0.17 0.15 0.00 -1.87 0.00 0.00 60.65 58.33 1bnr h LYS 27 Cb 1.36 -0.11 -0.08 0.00 0.08 0.00 0.00 32.23 33.48 1bnr h LYS 27 CO 0.26 0.71 0.61 1.03 -0.57 0.00 0.00 179.45 181.49 1bnr h SER 28 N 0.64 0.79 -0.93 0.86 0.87 -1.98 0.37 113.55 114.17 1bnr h SER 28 Ca 0.15 0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.81 1bnr h SER 28 Cb 0.28 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.09 1bnr h SER 28 CO -0.00 0.38 0.60 -0.33 -0.53 0.00 0.00 176.83 176.95 1bnr h GLU 29 N 0.82 1.11 -0.65 2.24 5.08 -1.63 0.07 114.58 121.62 1bnr h GLU 29 Ca 0.50 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.73 1bnr h GLU 29 Cb 0.69 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1bnr h GLU 29 CO -0.27 0.73 0.15 0.00 -1.00 0.00 0.00 179.01 178.63 1bnr h ALA 30 N 1.40 1.05 -0.64 3.43 0.00 -0.05 -1.78 119.26 122.67 1bnr h ALA 30 Ca 0.38 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1bnr h ALA 30 Cb 0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1bnr h ALA 30 CO -0.14 0.63 0.42 1.96 0.00 0.00 0.00 179.25 182.12 1bnr h GLN 31 N 0.97 0.84 -0.88 0.00 1.08 0.17 -1.05 115.11 116.24 1bnr h GLN 31 Ca 0.21 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1bnr h GLN 31 Cb 0.35 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.55 1bnr h GLN 31 CO 0.00 0.56 0.54 0.00 -0.95 0.00 0.00 178.83 178.98 1bnr h ALA 32 N 1.60 1.29 -0.00 3.87 0.00 -0.29 -0.65 119.26 125.07 1bnr h ALA 32 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1bnr h ALA 32 Cb -0.10 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.34 1bnr h ALA 32 CO -0.05 0.62 -0.04 1.28 0.00 0.00 0.00 179.25 181.05 1bnr n LEU 33 N -4.37 0.08 0.00 0.00 4.32 -0.51 -4.90 117.00 111.61 1bnr n LEU 33 Ca 0.10 0.35 0.00 0.00 -0.02 0.00 0.00 56.01 56.43 1bnr n LEU 33 Cb 0.05 -0.38 0.00 0.00 -1.62 0.00 0.00 43.42 41.48 1bnr n LEU 33 CO 0.38 0.02 0.00 0.61 -1.22 0.00 0.00 177.39 177.17 1bnr n GLY 34 N 1.41 0.80 2.74 -0.72 0.00 -0.25 -4.89 105.19 104.27 1bnr n GLY 34 Ca 0.10 -0.76 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 1bnr n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bnr s TRP 35 N -1.69 0.51 -0.38 1.61 -0.00 -0.79 -4.71 118.94 113.49 1bnr s TRP 35 Ca 0.00 -0.11 -0.21 0.00 -0.00 0.00 0.00 56.10 55.78 1bnr s TRP 35 Cb 0.00 -0.73 0.01 0.00 -0.00 0.00 0.00 33.47 32.75 1bnr s TRP 35 CO 0.00 -0.32 0.69 0.08 -0.00 0.00 0.00 176.95 177.40 1bnr s VAL 36 N 2.02 4.82 0.06 5.86 1.01 -1.26 -3.98 120.40 128.93 1bnr s VAL 36 Ca 0.04 0.59 0.27 0.00 0.00 0.00 0.00 61.98 62.88 1bnr s VAL 36 Cb -0.13 -4.15 0.27 0.00 0.00 0.00 0.00 36.38 32.37 1bnr s VAL 36 CO -0.05 -0.42 1.82 0.00 0.00 0.00 0.00 175.10 176.45 1bnr h ALA 37 N 8.57 1.03 0.05 5.51 0.00 -1.98 0.78 119.26 133.21 1bnr h ALA 37 Ca -0.26 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.42 1bnr h ALA 37 Cb 1.10 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1bnr h ALA 37 CO 0.88 -0.03 -1.10 1.03 0.00 0.00 0.00 179.25 180.03 1bnr h SER 38 N 0.00 0.16 0.14 0.00 0.87 -2.05 -3.26 113.55 109.41 1bnr h SER 38 Ca 0.00 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1bnr h SER 38 Cb 0.07 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1bnr h SER 38 CO 0.00 1.13 -0.83 0.29 -0.53 0.00 0.00 176.83 176.90 1bnr n LYS 39 N -3.41 0.06 -4.26 2.24 4.76 0.02 -4.96 118.16 112.61 1bnr n LYS 39 Ca -0.03 -0.05 -0.34 0.00 -2.87 0.00 0.00 58.31 55.02 1bnr n LYS 39 Cb 0.97 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 32.60 1bnr n LYS 39 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bnr n GLY 40 N 1.49 -0.29 2.54 0.72 0.00 0.05 -4.76 105.19 104.96 1bnr n GLY 40 Ca 0.05 0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1bnr n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bnr n ASN 41 N -2.76 7.37 -0.14 1.61 2.04 -1.26 -3.61 115.26 118.50 1bnr n ASN 41 Ca -0.12 -3.66 -0.08 0.00 -0.44 0.00 0.00 54.58 50.27 1bnr n ASN 41 Cb 0.59 -1.06 0.00 0.00 -2.53 0.00 0.00 39.78 36.78 1bnr n ASN 41 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 1bnr h LEU 42 N 2.70 0.54 -0.10 -4.53 5.85 -1.87 -0.39 115.31 117.51 1bnr h LEU 42 Ca 0.53 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.15 1bnr h LEU 42 Cb 0.49 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1bnr h LEU 42 CO 1.36 0.49 0.00 0.00 -0.34 0.00 0.00 178.44 179.95 1bnr n ALA 43 N -2.27 1.17 -0.04 1.25 0.00 -1.26 0.43 120.51 119.79 1bnr n ALA 43 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1bnr n ALA 43 Cb 0.09 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.34 1bnr n ALA 43 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bnr n ASP 44 N -1.56 1.32 -0.03 0.00 9.92 -0.32 -4.42 116.55 121.45 1bnr n ASP 44 Ca 0.01 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.19 1bnr n ASP 44 Cb 0.05 1.30 -0.03 0.00 -0.64 0.00 0.00 41.12 41.80 1bnr n ASP 44 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1bnr n VAL 45 N -2.30 0.38 -3.12 2.53 0.24 -0.31 -4.86 118.33 110.89 1bnr n VAL 45 Ca -0.14 -0.10 -0.23 0.00 -2.04 0.00 0.00 64.34 61.83 1bnr n VAL 45 Cb 0.70 -1.56 -0.04 0.00 -1.47 0.00 0.00 33.84 31.47 1bnr n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bnr n ALA 46 N -3.28 3.36 -0.41 2.33 0.00 0.17 -4.97 120.51 117.70 1bnr n ALA 46 Ca -0.14 -4.08 -0.30 0.00 0.00 0.00 0.00 53.44 48.92 1bnr n ALA 46 Cb 0.60 -0.83 0.28 0.00 0.00 0.00 0.00 19.45 19.50 1bnr n ALA 46 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1bnr s PRO 47 N -2.72 -2.75 -1.15 0.00 0.04 0.15 -4.04 135.00 124.53 1bnr s PRO 47 Ca 0.43 0.18 -0.27 0.00 0.04 0.00 0.00 61.00 61.38 1bnr s PRO 47 Cb 0.28 -1.39 0.02 0.00 0.04 0.00 0.00 34.50 33.45 1bnr s PRO 47 CO -0.10 -4.77 0.72 0.41 0.04 0.00 0.00 177.00 173.30 1bnr n GLY 48 N 1.26 -0.94 3.62 0.56 0.00 -1.26 -4.95 105.19 103.48 1bnr n GLY 48 Ca 0.12 0.40 -0.04 0.00 0.00 0.00 0.00 46.02 46.50 1bnr n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bnr s LYS 49 N -6.69 0.61 -0.02 1.61 1.02 -1.26 -5.08 119.74 109.93 1bnr s LYS 49 Ca 0.45 1.35 -0.19 0.00 0.02 0.00 0.00 55.97 57.59 1bnr s LYS 49 Cb -0.21 0.59 -0.05 0.00 -0.52 0.00 0.00 37.83 37.63 1bnr s LYS 49 CO 0.93 -0.18 0.55 -1.12 -0.92 0.00 0.00 175.35 174.60 1bnr s SER 50 N 2.43 6.90 -0.44 2.83 0.01 -0.26 -4.90 113.70 120.26 1bnr s SER 50 Ca -0.07 1.07 -0.18 0.00 1.31 0.00 0.00 55.95 58.08 1bnr s SER 50 Cb -0.10 -2.33 0.03 0.00 0.21 0.00 0.00 66.02 63.83 1bnr s SER 50 CO -0.19 0.12 0.49 -0.63 0.41 0.00 0.00 173.24 173.44 1bnr s ILE 51 N -0.18 5.04 0.22 1.44 -1.09 -1.26 0.36 121.20 125.74 1bnr s ILE 51 Ca 0.29 -0.39 -0.17 0.00 -2.23 0.00 0.00 60.65 58.15 1bnr s ILE 51 Cb -0.17 -4.11 0.02 0.00 -1.58 0.00 0.00 42.46 36.61 1bnr s ILE 51 CO 0.15 -0.53 0.54 -0.83 -1.23 0.00 0.00 174.94 173.05 1bnr s GLY 52 N 2.06 0.10 0.00 6.18 0.00 -1.25 0.06 107.32 114.47 1bnr s GLY 52 Ca 0.13 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.40 1bnr s GLY 52 CO 0.13 -0.35 0.00 0.61 0.00 0.00 0.00 173.10 173.49 1bnr n GLY 53 N -0.37 0.36 3.84 0.20 0.00 -0.57 -3.42 105.19 105.22 1bnr n GLY 53 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1bnr n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bnr s ASP 54 N -2.15 6.54 0.38 1.61 1.11 -1.21 -4.83 116.67 118.11 1bnr s ASP 54 Ca 0.00 1.60 -0.27 0.00 0.18 0.00 0.00 52.55 54.07 1bnr s ASP 54 Cb 0.00 -2.51 -0.09 0.00 1.07 0.00 0.00 42.92 41.39 1bnr s ASP 54 CO 0.00 -0.65 1.24 -0.63 1.18 0.00 0.00 175.17 176.31 1bnr s ILE 55 N -2.59 2.91 -0.51 0.77 -1.09 -1.26 -1.53 121.20 117.89 1bnr s ILE 55 Ca 0.60 0.82 -0.26 0.00 -2.23 0.00 0.00 60.65 59.58 1bnr s ILE 55 Cb -0.11 -3.49 0.03 0.00 -1.58 0.00 0.00 42.46 37.32 1bnr s ILE 55 CO 0.31 0.13 1.00 0.12 -1.23 0.00 0.00 174.94 175.27 1bnr s PHE 56 N -1.28 2.82 0.36 3.97 5.36 -0.62 -4.65 117.98 123.94 1bnr s PHE 56 Ca 0.54 0.31 0.19 0.00 -0.96 0.00 0.00 56.93 57.01 1bnr s PHE 56 Cb -0.35 -4.15 1.24 0.00 -0.34 0.00 0.00 43.02 39.42 1bnr s PHE 56 CO 0.45 -1.28 1.62 1.03 -1.46 0.00 0.00 175.22 175.59 1bnr h SER 57 N 9.24 0.41 -3.78 6.13 0.87 -1.92 -3.41 113.55 121.08 1bnr h SER 57 Ca -0.25 0.22 -0.24 0.00 -1.23 0.00 0.00 61.79 60.29 1bnr h SER 57 Cb 1.07 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 1bnr h SER 57 CO 1.08 -0.27 -0.30 -3.20 -0.53 0.00 0.00 176.83 173.61 1bnr n ASN 58 N -5.11 -3.79 -0.24 6.23 2.85 -1.26 -4.80 115.26 109.14 1bnr n ASN 58 Ca 0.35 0.21 -0.02 0.00 -0.11 0.00 0.00 54.58 55.00 1bnr n ASN 58 Cb 1.16 -3.24 0.04 0.00 1.24 0.00 0.00 39.78 38.98 1bnr n ASN 58 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 1bnr h ARG 59 N 0.00 -0.08 0.71 1.20 2.43 -2.00 -1.76 114.38 114.88 1bnr h ARG 59 Ca -0.28 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.86 1bnr h ARG 59 Cb 1.20 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1bnr h ARG 59 CO 0.34 -0.06 -0.34 1.49 -1.51 0.00 0.00 179.97 179.89 1bnr h GLU 60 N -0.09 -0.92 -0.10 0.20 4.81 -1.95 -3.48 114.58 113.05 1bnr h GLU 60 Ca 0.29 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1bnr h GLU 60 Cb 0.55 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1bnr h GLU 60 CO -0.73 -0.59 0.00 0.41 -0.73 0.00 0.00 179.01 177.37 1bnr n GLY 61 N -1.07 0.62 0.61 1.92 0.00 -0.66 -5.00 105.19 101.60 1bnr n GLY 61 Ca -0.13 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 45.98 1bnr n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bnr n LYS 62 N -0.05 1.60 -3.33 1.61 4.76 -1.26 -4.91 118.16 116.57 1bnr n LYS 62 Ca 0.00 -1.22 -0.33 0.00 -2.87 0.00 0.00 58.31 53.89 1bnr n LYS 62 Cb 0.03 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 31.69 1bnr n LYS 62 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1bnr s LEU 63 N -2.24 4.20 -0.65 -0.35 1.43 -1.26 -4.93 118.68 114.88 1bnr s LEU 63 Ca 0.26 1.05 -0.26 0.00 -1.03 0.00 0.00 54.13 54.15 1bnr s LEU 63 Cb 0.19 -3.65 -0.11 0.00 0.03 0.00 0.00 46.19 42.66 1bnr s LEU 63 CO 0.43 -0.05 2.42 -2.65 0.23 0.00 0.00 176.35 176.74 1bnr n PRO 64 N 0.10 0.78 -3.79 1.29 -0.02 -1.26 -4.83 135.00 127.27 1bnr n PRO 64 Ca -0.01 -0.44 -0.04 0.00 -2.02 0.00 0.00 63.50 60.99 1bnr n PRO 64 Cb 0.52 -3.55 -0.01 0.00 -0.02 0.00 0.00 33.50 30.44 1bnr n PRO 64 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1bnr s GLY 65 N 11.49 -0.18 0.30 -1.23 0.00 -1.26 -5.05 107.32 111.39 1bnr s GLY 65 Ca 0.96 -0.01 -0.05 0.00 0.00 0.00 0.00 44.72 45.62 1bnr s GLY 65 CO 0.17 0.01 0.30 0.28 0.00 0.00 0.00 173.10 173.87 1bnr n LYS 66 N -0.47 -1.27 -1.63 2.90 5.02 -1.26 -4.76 118.16 116.69 1bnr n LYS 66 Ca -0.05 -0.48 -0.15 0.00 -2.02 0.00 0.00 58.31 55.61 1bnr n LYS 66 Cb 0.60 -0.41 -0.07 0.00 -0.02 0.00 0.00 35.03 35.13 1bnr n LYS 66 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1bnr s SER 67 N -2.28 3.95 0.00 4.39 0.01 -1.26 -2.64 113.70 115.87 1bnr s SER 67 Ca 0.19 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.27 1bnr s SER 67 Cb -0.01 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1bnr s SER 67 CO 0.14 -3.90 0.00 0.61 0.41 0.00 0.00 173.24 170.50 1bnr n GLY 68 N 6.72 0.85 3.88 3.44 0.00 -1.26 -5.07 105.19 113.75 1bnr n GLY 68 Ca 0.45 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1bnr n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bnr s ARG 69 N -2.61 3.01 -0.48 1.61 3.52 -1.08 -5.00 118.95 117.92 1bnr s ARG 69 Ca 0.00 0.49 -0.22 0.00 -0.13 0.00 0.00 55.73 55.87 1bnr s ARG 69 Cb 0.00 -2.05 0.03 0.00 -1.56 0.00 0.00 34.95 31.37 1bnr s ARG 69 CO 0.00 -0.92 0.76 0.99 -0.81 0.00 0.00 175.30 175.32 1bnr s THR 70 N -3.30 4.67 0.36 4.11 2.01 -1.26 -4.97 115.64 117.26 1bnr s THR 70 Ca 0.57 0.18 0.08 0.00 0.31 0.00 0.00 61.69 62.84 1bnr s THR 70 Cb -0.11 -4.34 -0.05 0.00 0.01 0.00 0.00 72.50 68.02 1bnr s THR 70 CO 0.52 -0.78 0.14 0.26 -0.69 0.00 0.00 174.62 174.06 1bnr s TRP 71 N 3.21 2.65 -0.08 4.92 0.52 -1.26 -4.54 118.94 124.37 1bnr s TRP 71 Ca 0.26 -0.45 0.05 0.00 0.02 0.00 0.00 56.10 55.98 1bnr s TRP 71 Cb -0.14 -1.73 -0.00 0.00 -1.15 0.00 0.00 33.47 30.45 1bnr s TRP 71 CO 0.19 0.30 -0.24 1.03 0.02 0.00 0.00 176.95 178.26 1bnr s ARG 72 N -3.85 2.77 0.16 4.98 3.00 0.12 -1.59 118.95 124.53 1bnr s ARG 72 Ca 0.39 -0.87 0.08 0.00 0.00 0.00 0.00 55.73 55.33 1bnr s ARG 72 Cb -0.00 -2.19 -0.04 0.00 0.00 0.00 0.00 34.95 32.71 1bnr s ARG 72 CO 0.22 0.25 -0.04 -1.83 0.00 0.00 0.00 175.30 173.91 1bnr s GLU 73 N 0.15 2.28 0.03 3.54 -1.05 -0.58 0.32 118.70 123.38 1bnr s GLU 73 Ca -0.12 -1.12 -0.02 0.00 -0.15 0.00 0.00 54.97 53.55 1bnr s GLU 73 Cb -0.16 -2.31 -0.02 0.00 -0.44 0.00 0.00 34.13 31.20 1bnr s GLU 73 CO 0.07 0.46 0.01 0.00 0.95 0.00 0.00 175.26 176.75 1bnr s ALA 74 N -1.63 0.11 0.31 -0.84 0.00 0.26 -1.52 121.76 118.45 1bnr s ALA 74 Ca 0.26 -0.64 -0.28 0.00 0.00 0.00 0.00 51.96 51.30 1bnr s ALA 74 Cb -0.10 0.18 -0.09 0.00 0.00 0.00 0.00 23.12 23.11 1bnr s ALA 74 CO 0.17 -0.23 1.09 -0.51 0.00 0.00 0.00 175.76 176.28 1bnr s ASP 75 N -1.82 7.13 0.02 0.00 1.11 0.11 -1.44 116.67 121.79 1bnr s ASP 75 Ca -0.10 2.21 0.02 0.00 0.18 0.00 0.00 52.55 54.86 1bnr s ASP 75 Cb -0.05 -2.62 -0.02 0.00 1.07 0.00 0.00 42.92 41.31 1bnr s ASP 75 CO -0.03 -0.23 -0.07 -0.63 1.18 0.00 0.00 175.17 175.38 1bnr s ILE 76 N -1.28 0.54 -1.20 0.77 -1.09 -0.18 -4.77 121.20 113.99 1bnr s ILE 76 Ca 0.48 -0.72 -0.03 0.00 -2.23 0.00 0.00 60.65 58.15 1bnr s ILE 76 Cb -0.29 -0.54 0.00 0.00 -1.58 0.00 0.00 42.46 40.05 1bnr s ILE 76 CO 0.38 -0.14 0.34 0.59 -1.23 0.00 0.00 174.94 174.87 1bnr n ASN 77 N 2.11 -4.87 -4.75 3.58 5.03 -0.49 -4.22 115.26 111.65 1bnr n ASN 77 Ca -0.18 -0.16 -0.41 0.00 0.87 0.00 0.00 54.58 54.70 1bnr n ASN 77 Cb 0.56 -3.80 -0.03 0.00 -1.02 0.00 0.00 39.78 35.49 1bnr n ASN 77 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1bnr s TYR 78 N -2.95 3.24 0.00 3.10 5.04 -1.25 -4.88 117.35 119.64 1bnr s TYR 78 Ca 0.17 1.40 0.00 0.00 -2.44 0.00 0.00 57.07 56.20 1bnr s TYR 78 Cb -0.07 -3.57 0.00 0.00 0.35 0.00 0.00 41.96 38.67 1bnr s TYR 78 CO 0.21 -1.59 0.00 0.25 -1.34 0.00 0.00 175.55 173.07 1bnr n THR 79 N 1.59 0.00 -3.87 4.34 -2.24 -1.26 -5.05 114.28 107.79 1bnr n THR 79 Ca 0.02 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.75 1bnr n THR 79 Cb 0.43 -0.13 0.02 0.00 -2.10 0.00 0.00 70.33 68.54 1bnr n THR 79 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1bnr s SER 80 N 0.93 0.01 0.69 3.42 0.01 -1.26 -4.87 113.70 112.63 1bnr s SER 80 Ca 0.00 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.43 1bnr s SER 80 Cb 0.00 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.84 1bnr s SER 80 CO 0.00 -1.21 0.00 0.61 0.41 0.00 0.00 173.24 173.05 1bnr n GLY 81 N -0.66 -0.24 3.57 3.44 0.00 -1.26 -4.73 105.19 105.30 1bnr n GLY 81 Ca -0.04 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.58 1bnr n GLY 81 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bnr n PHE 82 N -0.41 0.29 -0.65 1.61 3.01 -1.24 -4.63 117.46 115.44 1bnr n PHE 82 Ca 0.00 0.42 -0.28 0.00 1.01 0.00 0.00 57.45 58.60 1bnr n PHE 82 Cb 0.00 -2.06 0.15 0.00 -0.01 0.00 0.00 39.48 37.55 1bnr n PHE 82 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1bnr n ARG 83 N -0.90 -1.70 -1.09 -1.08 1.74 -1.26 -4.98 116.66 107.39 1bnr n ARG 83 Ca 0.13 -0.49 0.00 0.00 -0.77 0.00 0.00 57.85 56.72 1bnr n ARG 83 Cb 0.48 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 1bnr n ARG 83 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1bnr n ASN 84 N -0.96 0.74 -0.40 0.55 2.04 -1.26 -5.04 115.26 110.93 1bnr n ASN 84 Ca 0.02 -0.80 0.04 0.00 -0.44 0.00 0.00 54.58 53.40 1bnr n ASN 84 Cb 0.54 0.00 0.10 0.00 -2.53 0.00 0.00 39.78 37.90 1bnr n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1bnr n SER 85 N -1.80 2.63 -4.67 0.53 3.41 -1.26 -4.97 113.62 107.48 1bnr n SER 85 Ca 0.00 -2.13 -0.37 0.00 -0.26 0.00 0.00 58.87 56.10 1bnr n SER 85 Cb 0.00 -0.18 -0.08 0.00 -0.26 0.00 0.00 64.21 63.69 1bnr n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bnr s ASP 86 N -1.17 6.31 0.07 4.04 1.11 -1.26 -0.01 116.67 125.76 1bnr s ASP 86 Ca 0.17 0.36 -0.06 0.00 0.18 0.00 0.00 52.55 53.19 1bnr s ASP 86 Cb 0.10 -2.18 -0.01 0.00 1.07 0.00 0.00 42.92 41.90 1bnr s ASP 86 CO 0.09 -0.00 0.12 -0.13 1.18 0.00 0.00 175.17 176.42 1bnr s ARG 87 N 1.13 0.73 -0.08 8.23 1.81 -0.56 -1.01 118.95 129.19 1bnr s ARG 87 Ca 0.14 -0.96 0.04 0.00 -1.72 0.00 0.00 55.73 53.23 1bnr s ARG 87 Cb -0.14 0.29 0.00 0.00 -0.45 0.00 0.00 34.95 34.65 1bnr s ARG 87 CO 0.06 -0.20 -0.20 -1.50 -0.68 0.00 0.00 175.30 172.77 1bnr s ILE 88 N -3.56 1.75 -0.56 1.52 2.07 -0.52 -0.69 121.20 121.20 1bnr s ILE 88 Ca 0.03 -0.86 -0.10 0.00 -1.41 0.00 0.00 60.65 58.31 1bnr s ILE 88 Cb 0.04 -1.52 0.14 0.00 0.13 0.00 0.00 42.46 41.25 1bnr s ILE 88 CO -0.09 0.49 0.45 -0.76 -1.91 0.00 0.00 174.94 173.12 1bnr s LEU 89 N 0.29 5.88 0.01 8.50 2.01 0.03 -0.57 118.68 134.82 1bnr s LEU 89 Ca -0.13 -2.17 -0.15 0.00 0.01 0.00 0.00 54.13 51.69 1bnr s LEU 89 Cb -0.16 -2.05 -0.06 0.00 0.01 0.00 0.00 46.19 43.94 1bnr s LEU 89 CO 0.06 -0.65 0.43 -0.72 1.01 0.00 0.00 176.35 176.48 1bnr s TYR 90 N 0.98 3.73 0.43 0.29 1.13 0.15 -1.45 117.35 122.61 1bnr s TYR 90 Ca 0.09 1.02 0.08 0.00 -1.41 0.00 0.00 57.07 56.85 1bnr s TYR 90 Cb -0.23 -2.32 -0.01 0.00 -1.10 0.00 0.00 41.96 38.30 1bnr s TYR 90 CO -0.02 0.63 0.42 0.45 -2.51 0.00 0.00 175.55 174.52 1bnr s SER 91 N -1.04 5.14 0.58 -0.18 0.15 0.18 -0.70 113.70 117.82 1bnr s SER 91 Ca 0.24 -0.71 0.35 0.00 0.70 0.00 0.00 55.95 56.53 1bnr s SER 91 Cb -0.17 -0.53 1.71 0.00 -1.71 0.00 0.00 66.02 65.32 1bnr s SER 91 CO 0.14 -0.71 2.12 0.77 1.20 0.00 0.00 173.24 176.77 1bnr h SER 92 N 0.93 0.00 -0.30 5.45 4.64 -1.91 -0.21 113.55 122.15 1bnr h SER 92 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1bnr h SER 92 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1bnr h SER 92 CO 0.55 0.04 0.00 -0.90 -0.87 0.00 0.00 176.83 175.65 1bnr n ASP 93 N -3.24 2.95 -1.32 4.97 5.68 -1.26 -4.84 116.55 119.49 1bnr n ASP 93 Ca -0.01 -2.34 -0.12 0.00 -0.50 0.00 0.00 54.79 51.82 1bnr n ASP 93 Cb 0.22 -0.50 -0.01 0.00 -1.14 0.00 0.00 41.12 39.69 1bnr n ASP 93 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1bnr n TRP 94 N 0.36 -0.53 -2.80 2.11 5.03 -0.09 -4.94 117.44 116.58 1bnr n TRP 94 Ca 0.13 0.00 -0.43 0.00 3.03 0.00 0.00 57.50 60.23 1bnr n TRP 94 Cb 0.61 -2.66 -0.03 0.00 -1.03 0.00 0.00 31.31 28.20 1bnr n TRP 94 CO 0.00 0.00 0.00 -0.51 -0.03 0.00 0.00 177.69 177.15 1bnr s LEU 95 N -3.35 4.27 -0.41 -0.99 1.43 -1.23 -4.77 118.68 113.63 1bnr s LEU 95 Ca 0.00 -1.22 -0.18 0.00 -1.03 0.00 0.00 54.13 51.70 1bnr s LEU 95 Cb 0.00 -2.45 0.02 0.00 0.03 0.00 0.00 46.19 43.79 1bnr s LEU 95 CO 0.00 -1.42 0.51 -0.63 0.23 0.00 0.00 176.35 175.05 1bnr s ILE 96 N 4.08 5.00 0.30 -0.59 1.01 -1.26 -0.64 121.20 129.09 1bnr s ILE 96 Ca 0.29 -0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.97 1bnr s ILE 96 Cb -0.11 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 1bnr s ILE 96 CO 0.04 -0.42 0.12 -0.31 0.00 0.00 0.00 174.94 174.36 1bnr s TYR 97 N 2.39 2.79 0.10 3.97 1.51 -0.53 -1.67 117.35 125.91 1bnr s TYR 97 Ca 0.17 -0.27 0.06 0.00 -1.01 0.00 0.00 57.07 56.01 1bnr s TYR 97 Cb -0.16 -1.46 -0.03 0.00 -0.11 0.00 0.00 41.96 40.20 1bnr s TYR 97 CO 0.15 0.45 -0.14 -1.59 -1.11 0.00 0.00 175.55 173.31 1bnr s LYS 98 N -3.80 0.93 -0.08 -0.62 -2.85 0.33 -0.79 119.74 112.86 1bnr s LYS 98 Ca 0.35 -1.11 -0.03 0.00 -1.00 0.00 0.00 55.97 54.18 1bnr s LYS 98 Cb -0.05 -0.89 0.04 0.00 -2.06 0.00 0.00 37.83 34.87 1bnr s LYS 98 CO 0.22 0.18 0.10 -0.08 0.10 0.00 0.00 175.35 175.88 1bnr s THR 99 N -1.72 -0.16 -0.33 3.79 -1.32 0.13 -1.05 115.64 114.98 1bnr s THR 99 Ca 0.04 0.30 0.09 0.00 -1.21 0.00 0.00 61.69 60.91 1bnr s THR 99 Cb -0.07 -0.27 0.63 0.00 -1.51 0.00 0.00 72.50 71.27 1bnr s THR 99 CO 0.03 0.09 1.69 0.41 -2.21 0.00 0.00 174.62 174.63 1bnr n THR 100 N 5.31 2.82 -2.01 5.08 -1.04 -1.26 -1.50 114.28 121.68 1bnr n THR 100 Ca -0.04 -2.09 0.00 0.00 -2.04 0.00 0.00 64.05 59.88 1bnr n THR 100 Cb 0.50 -0.37 -0.00 0.00 -1.82 0.00 0.00 70.33 68.64 1bnr n THR 100 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1bnr n ASP 101 N -0.78 0.01 -1.59 8.00 5.68 -1.22 -4.80 116.55 121.85 1bnr n ASP 101 Ca 0.42 -1.73 -0.00 0.00 -0.50 0.00 0.00 54.79 52.98 1bnr n ASP 101 Cb 1.31 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 41.14 1bnr n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1bnr n HIS 102 N 0.01 -0.19 -1.81 2.11 -0.00 0.98 -3.78 115.22 112.55 1bnr n HIS 102 Ca -0.00 0.08 -0.05 0.00 -0.00 0.00 0.00 57.72 57.75 1bnr n HIS 102 Cb 0.65 -1.66 -0.01 0.00 -0.00 0.00 0.00 29.99 28.97 1bnr n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1bnr n TYR 103 N -0.81 -1.27 0.39 1.57 4.01 -1.26 -4.68 117.16 115.12 1bnr n TYR 103 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.86 1bnr n TYR 103 Cb 0.30 -1.64 -0.02 0.00 -0.31 0.00 0.00 39.34 37.67 1bnr n TYR 103 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1bnr n GLN 104 N -1.97 0.40 -3.73 -0.72 1.13 -1.25 -4.89 117.38 106.35 1bnr n GLN 104 Ca -0.05 -0.02 -0.12 0.00 -1.94 0.00 0.00 57.00 54.87 1bnr n GLN 104 Cb 0.35 -1.62 -0.11 0.00 0.11 0.00 0.00 30.24 28.98 1bnr n GLN 104 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1bnr s THR 105 N -3.28 -0.01 -0.07 5.09 2.01 -1.26 -5.01 115.64 113.10 1bnr s THR 105 Ca 0.01 0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.08 1bnr s THR 105 Cb 0.13 -0.53 0.00 0.00 0.01 0.00 0.00 72.50 72.12 1bnr s THR 105 CO 0.82 0.01 -0.19 -0.36 -0.69 0.00 0.00 174.62 174.22 1bnr s PHE 106 N 0.58 2.00 -0.06 4.92 0.08 -1.25 -3.69 117.98 120.56 1bnr s PHE 106 Ca -0.03 -0.74 0.03 0.00 0.12 0.00 0.00 56.93 56.31 1bnr s PHE 106 Cb -0.05 -1.37 0.00 0.00 -0.57 0.00 0.00 43.02 41.04 1bnr s PHE 106 CO -0.04 -0.31 -0.16 0.99 -0.10 0.00 0.00 175.22 175.61 1bnr s THR 107 N 0.36 1.41 -0.03 0.64 2.01 -0.21 -4.82 115.64 115.00 1bnr s THR 107 Ca -0.13 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 60.90 1bnr s THR 107 Cb -0.16 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.08 1bnr s THR 107 CO 0.05 0.41 1.02 -0.75 -0.69 0.00 0.00 174.62 174.66 1bnr s LYS 108 N 0.38 4.49 -0.11 4.92 2.20 -1.26 -0.51 119.74 129.86 1bnr s LYS 108 Ca -0.12 1.45 -0.02 0.00 -0.36 0.00 0.00 55.97 56.92 1bnr s LYS 108 Cb -0.15 -3.48 -0.06 0.00 -1.51 0.00 0.00 37.83 32.63 1bnr s LYS 108 CO 0.04 -0.17 -0.12 0.44 -0.36 0.00 0.00 175.35 175.18 1bnr n ILE 109 N 4.15 0.60 -0.19 5.43 -5.35 -0.67 -4.98 119.36 118.35 1bnr n ILE 109 Ca 0.07 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 1bnr n ILE 109 Cb 0.50 -1.27 0.00 0.00 -1.74 0.00 0.00 39.64 37.13 1bnr n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33