#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 2.56 0.37 0.00 -1.52 -1.26 -5.07 119.66 114.74 1bnr s GLN 2 Ca 0.00 -1.78 -0.06 0.00 -1.95 0.00 0.00 55.36 51.57 1bnr s GLN 2 Cb 0.00 -3.98 0.09 0.00 -0.22 0.00 0.00 33.01 28.90 1bnr s GLN 2 CO 0.00 -1.21 0.36 1.33 -0.25 0.00 0.00 175.29 175.51 1bnr n VAL 3 N 4.92 0.00 -3.93 1.09 0.24 -1.26 -5.02 118.33 114.37 1bnr n VAL 3 Ca -0.08 -0.18 -0.30 0.00 -2.04 0.00 0.00 64.34 61.73 1bnr n VAL 3 Cb 0.41 -1.20 -0.15 0.00 -1.47 0.00 0.00 33.84 31.43 1bnr n VAL 3 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1bnr s ILE 4 N -1.68 2.11 -0.34 1.34 1.09 -1.26 -4.95 121.20 117.51 1bnr s ILE 4 Ca 0.23 -2.54 0.15 0.00 -1.10 0.00 0.00 60.65 57.39 1bnr s ILE 4 Cb -0.02 -2.53 0.42 0.00 -1.06 0.00 0.00 42.46 39.27 1bnr s ILE 4 CO 0.17 -0.70 0.88 -0.46 -0.10 0.00 0.00 174.94 174.73 1bnr n ASN 5 N 3.91 1.10 -1.28 3.58 6.94 -1.26 -4.61 115.26 123.64 1bnr n ASN 5 Ca 0.04 -2.83 -0.01 0.00 -0.02 0.00 0.00 54.58 51.76 1bnr n ASN 5 Cb 0.38 -0.50 -0.00 0.00 -2.36 0.00 0.00 39.78 37.30 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 0.06 0.00 0.07 5.53 -2.24 -1.26 0.12 114.28 116.56 1bnr n THR 6 Ca 0.15 -0.15 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 1bnr n THR 6 Cb 0.76 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 69.02 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 1.06 -0.27 -0.05 4.78 0.04 -1.96 -1.96 116.94 118.58 1bnr h PHE 7 Ca -0.02 -0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.62 1bnr h PHE 7 Cb 0.07 0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1bnr h PHE 7 CO 0.00 -0.06 -0.55 -0.44 -0.60 0.00 0.00 178.31 176.66 1bnr h ASP 8 N -1.04 0.15 0.14 2.17 3.32 -1.98 -1.07 116.42 118.11 1bnr h ASP 8 Ca -0.03 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1bnr h ASP 8 Cb 0.32 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1bnr h ASP 8 CO 0.05 0.67 -0.07 1.23 -1.72 0.00 0.00 179.24 179.40 1bnr h GLY 9 N 1.52 -0.20 0.97 2.75 0.00 -1.96 -0.73 103.07 105.43 1bnr h GLY 9 Ca -0.00 0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.32 1bnr h GLY 9 CO 0.08 -0.07 -0.04 -2.08 0.00 0.00 0.00 176.54 174.43 1bnr h VAL 10 N -0.58 1.27 -0.87 4.60 2.07 -1.37 -1.57 116.25 119.79 1bnr h VAL 10 Ca -0.02 -1.10 0.07 0.00 0.82 0.00 0.00 66.70 66.47 1bnr h VAL 10 Cb 0.45 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 1bnr h VAL 10 CO 0.03 0.37 0.57 0.00 0.02 0.00 0.00 177.57 178.56 1bnr h ALA 11 N 0.88 1.55 0.42 1.67 0.00 -1.20 0.14 119.26 122.72 1bnr h ALA 11 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1bnr h ALA 11 Cb 0.55 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1bnr h ALA 11 CO 0.03 0.31 -0.20 -0.44 0.00 0.00 0.00 179.25 178.95 1bnr h ASP 12 N 0.97 -0.48 -0.02 0.00 3.32 -0.69 -1.51 116.42 118.02 1bnr h ASP 12 Ca 0.38 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.33 1bnr h ASP 12 Cb 0.23 0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1bnr h ASP 12 CO -0.14 -0.15 0.08 0.22 -1.72 0.00 0.00 179.24 177.53 1bnr h TYR 13 N -0.84 0.00 0.15 4.55 3.20 -0.80 0.38 116.97 123.61 1bnr h TYR 13 Ca -0.06 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 1bnr h TYR 13 Cb 0.55 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1bnr h TYR 13 CO 0.01 0.00 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.39 1bnr h LEU 14 N 0.00 -0.17 0.00 2.82 3.38 -0.20 -0.58 115.31 120.56 1bnr h LEU 14 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1bnr h LEU 14 Cb 0.16 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1bnr h LEU 14 CO -0.00 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.63 1bnr n GLN 15 N -3.72 0.23 -0.02 1.13 6.02 -0.62 0.67 117.38 121.07 1bnr n GLN 15 Ca -0.02 0.13 -0.02 0.00 -0.01 0.00 0.00 57.00 57.08 1bnr n GLN 15 Cb 0.08 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.83 1bnr n GLN 15 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1bnr n THR 16 N -1.28 0.42 1.25 5.09 -1.04 0.13 -4.49 114.28 114.37 1bnr n THR 16 Ca 0.08 0.41 0.11 0.00 -2.04 0.00 0.00 64.05 62.61 1bnr n THR 16 Cb 0.12 -1.76 0.39 0.00 -1.82 0.00 0.00 70.33 67.27 1bnr n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1bnr n TYR 17 N -2.99 0.18 -4.12 -1.42 4.02 -0.23 -4.93 117.16 107.68 1bnr n TYR 17 Ca -0.03 -0.09 -0.31 0.00 -0.01 0.00 0.00 57.90 57.46 1bnr n TYR 17 Cb 0.11 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.38 1bnr n TYR 17 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1bnr n HIS 18 N 0.32 -1.46 0.00 -0.72 8.25 0.21 -4.90 115.22 116.93 1bnr n HIS 18 Ca 0.17 0.59 0.00 0.00 -0.26 0.00 0.00 57.72 58.21 1bnr n HIS 18 Cb 0.34 -3.19 0.00 0.00 1.12 0.00 0.00 29.99 28.26 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 -4.55 0.00 -0.93 -0.41 2.85 -1.24 -5.05 118.16 108.84 1bnr n LYS 19 Ca -0.28 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.62 1bnr n LYS 19 Cb 0.67 0.00 0.07 0.00 -0.65 0.00 0.00 35.03 35.12 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 -4.01 -4.45 -5.58 4.77 -1.26 -4.66 117.00 101.80 1bnr n LEU 20 Ca 0.00 0.20 -0.33 0.00 -0.03 0.00 0.00 56.01 55.85 1bnr n LEU 20 Cb 0.00 -0.88 0.13 0.00 -2.33 0.00 0.00 43.42 40.34 1bnr n LEU 20 CO 0.00 -5.00 0.03 -2.65 -1.33 0.00 0.00 177.39 168.44 1bnr n PRO 21 N 1.11 -0.31 0.00 3.23 -0.02 -1.26 -4.83 135.00 132.93 1bnr n PRO 21 Ca 0.01 -0.04 0.10 0.00 -2.02 0.00 0.00 63.50 61.54 1bnr n PRO 21 Cb 0.57 -1.93 0.54 0.00 -0.02 0.00 0.00 33.50 32.65 1bnr n PRO 21 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1bnr n ASP 22 N -1.74 0.00 -1.39 2.55 -0.08 -1.26 -2.66 116.55 111.97 1bnr n ASP 22 Ca 0.08 -0.26 -0.11 0.00 -1.51 0.00 0.00 54.79 52.99 1bnr n ASP 22 Cb 0.53 -0.17 0.12 0.00 2.34 0.00 0.00 41.12 43.95 1bnr n ASP 22 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1bnr n ASN 23 N -1.17 3.52 -4.04 1.67 6.94 -1.26 -4.91 115.26 116.01 1bnr n ASN 23 Ca 0.12 -3.82 -0.34 0.00 -0.02 0.00 0.00 54.58 50.52 1bnr n ASN 23 Cb 0.12 -0.50 -0.11 0.00 -2.36 0.00 0.00 39.78 36.93 1bnr n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1bnr s TYR 24 N -3.43 3.34 -0.23 -2.53 1.51 -1.09 -1.24 117.35 113.69 1bnr s TYR 24 Ca 0.46 -2.88 -0.13 0.00 -1.01 0.00 0.00 57.07 53.51 1bnr s TYR 24 Cb 0.40 -3.06 -0.04 0.00 -0.11 0.00 0.00 41.96 39.15 1bnr s TYR 24 CO -0.01 -0.81 0.28 0.96 -1.11 0.00 0.00 175.55 174.86 1bnr s ILE 25 N -0.09 5.27 0.98 2.71 -4.36 0.16 -4.29 121.20 121.58 1bnr s ILE 25 Ca 0.17 0.43 -0.19 0.00 -0.26 0.00 0.00 60.65 60.80 1bnr s ILE 25 Cb -0.22 -3.62 -0.01 0.00 1.25 0.00 0.00 42.46 39.86 1bnr s ILE 25 CO -0.02 0.28 -0.56 0.35 0.24 0.00 0.00 174.94 175.22 1bnr n THR 26 N 4.47 0.00 -0.09 8.37 -2.24 -0.95 -3.04 114.28 120.80 1bnr n THR 26 Ca -0.11 -0.10 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 1bnr n THR 26 Cb 0.51 -0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.76 0.72 -0.90 -0.78 6.56 -1.90 -2.71 116.57 115.80 1bnr h LYS 27 Ca -0.36 -0.38 0.14 0.00 -1.06 0.00 0.00 60.65 58.99 1bnr h LYS 27 Cb 1.10 0.02 -0.07 0.00 -0.57 0.00 0.00 32.23 32.70 1bnr h LYS 27 CO 0.23 1.00 0.58 1.03 -2.06 0.00 0.00 179.45 180.23 1bnr h SER 28 N 0.47 0.66 -0.58 0.86 0.87 -1.99 0.19 113.55 114.02 1bnr h SER 28 Ca 0.05 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1bnr h SER 28 Cb 0.88 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.72 1bnr h SER 28 CO 0.07 0.33 0.38 -0.33 -0.53 0.00 0.00 176.83 176.76 1bnr h GLU 29 N 0.69 0.75 -0.90 2.24 5.08 -1.78 -0.55 114.58 120.12 1bnr h GLU 29 Ca 0.45 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.75 1bnr h GLU 29 Cb 0.73 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 1bnr h GLU 29 CO -0.21 0.50 0.50 0.00 -1.00 0.00 0.00 179.01 178.80 1bnr h ALA 30 N 1.22 1.19 -0.45 3.43 0.00 -0.54 -0.98 119.26 123.13 1bnr h ALA 30 Ca 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1bnr h ALA 30 Cb -0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.34 1bnr h ALA 30 CO -0.05 0.66 0.22 1.96 0.00 0.00 0.00 179.25 182.03 1bnr h GLN 31 N 1.25 0.62 -0.35 0.00 4.20 -0.16 -0.70 115.11 119.98 1bnr h GLN 31 Ca 0.32 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 1bnr h GLN 31 Cb 0.02 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1bnr h GLN 31 CO -0.05 0.48 0.16 0.00 -0.67 0.00 0.00 178.83 178.75 1bnr h ALA 32 N 1.62 1.63 0.00 3.87 0.00 0.25 -0.25 119.26 126.37 1bnr h ALA 32 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1bnr h ALA 32 Cb 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1bnr h ALA 32 CO -0.02 0.30 -0.08 1.28 0.00 0.00 0.00 179.25 180.73 1bnr n LEU 33 N -4.42 0.64 0.00 0.00 4.32 -0.35 -4.89 117.00 112.30 1bnr n LEU 33 Ca 0.02 0.51 0.00 0.00 -0.02 0.00 0.00 56.01 56.52 1bnr n LEU 33 Cb 0.12 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 41.58 1bnr n LEU 33 CO 0.36 -0.13 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 1bnr n GLY 34 N 1.35 0.87 3.60 -0.72 0.00 -0.11 -4.95 105.19 105.24 1bnr n GLY 34 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.04 3.14 -0.02 1.61 -0.00 -0.71 -4.78 118.94 117.14 1bnr s TRP 35 Ca 0.00 -0.03 -0.20 0.00 -0.00 0.00 0.00 56.10 55.87 1bnr s TRP 35 Cb 0.00 -1.94 -0.05 0.00 -0.00 0.00 0.00 33.47 31.48 1bnr s TRP 35 CO 0.00 0.18 0.57 0.54 -0.00 0.00 0.00 176.95 178.24 1bnr s VAL 36 N -0.04 4.96 -1.47 5.86 0.11 -1.26 -4.30 120.40 124.26 1bnr s VAL 36 Ca 0.03 1.18 0.05 0.00 -2.93 0.00 0.00 61.98 60.31 1bnr s VAL 36 Cb -0.13 -3.90 0.10 0.00 -1.53 0.00 0.00 36.38 30.92 1bnr s VAL 36 CO 0.02 0.41 0.99 0.00 -3.33 0.00 0.00 175.10 173.19 1bnr n ALA 37 N 2.81 1.45 -0.06 1.54 0.00 -1.26 -2.73 120.51 122.26 1bnr n ALA 37 Ca -0.07 -0.03 0.24 0.00 0.00 0.00 0.00 53.44 53.58 1bnr n ALA 37 Cb 0.51 -1.08 0.58 0.00 0.00 0.00 0.00 19.45 19.46 1bnr n ALA 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bnr h SER 38 N 0.00 0.00 -2.65 0.00 4.64 -2.02 -3.44 113.55 110.09 1bnr h SER 38 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1bnr h SER 38 Cb 0.04 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.18 1bnr h SER 38 CO 0.00 0.00 -0.25 0.29 -0.87 0.00 0.00 176.83 176.00 1bnr n LYS 39 N -3.42 -2.76 0.00 4.77 5.02 -1.11 -4.92 118.16 115.74 1bnr n LYS 39 Ca 0.16 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1bnr n LYS 39 Cb 1.11 -3.81 0.00 0.00 -0.02 0.00 0.00 35.03 32.30 1bnr n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bnr n GLY 40 N -1.06 0.00 1.19 0.72 0.00 -1.26 -2.57 105.19 102.21 1bnr n GLY 40 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.07 2.79 0.28 1.61 6.94 -1.26 -4.62 115.26 119.93 1bnr n ASN 41 Ca 0.00 -3.72 -0.11 0.00 -0.02 0.00 0.00 54.58 50.73 1bnr n ASN 41 Cb 0.18 -0.45 -0.05 0.00 -2.36 0.00 0.00 39.78 37.10 1bnr n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1bnr h LEU 42 N 1.45 -0.61 -0.01 -4.53 5.85 -1.86 -1.94 115.31 113.66 1bnr h LEU 42 Ca 0.11 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1bnr h LEU 42 Cb 1.23 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1bnr h LEU 42 CO 0.27 -0.43 0.00 0.00 -0.34 0.00 0.00 178.44 177.94 1bnr n ALA 43 N -2.36 1.07 0.09 1.25 0.00 -1.26 -1.02 120.51 118.28 1bnr n ALA 43 Ca -0.09 -0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 1bnr n ALA 43 Cb 0.28 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.66 1bnr n ALA 43 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1bnr h ASP 44 N 0.00 0.00 0.00 0.00 3.58 -1.69 -2.97 116.42 115.34 1bnr h ASP 44 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1bnr h ASP 44 Cb 0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1bnr h ASP 44 CO 0.00 0.83 -0.89 1.33 -2.88 0.00 0.00 179.24 177.63 1bnr n VAL 45 N -3.36 0.00 -3.06 2.25 0.24 -0.43 -4.75 118.33 109.21 1bnr n VAL 45 Ca 0.00 -0.25 -0.19 0.00 -2.04 0.00 0.00 64.34 61.87 1bnr n VAL 45 Cb 0.85 0.71 -0.03 0.00 -1.47 0.00 0.00 33.84 33.90 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 -1.49 1.31 -1.18 2.33 0.00 -0.19 -4.84 120.51 116.45 1bnr n ALA 46 Ca 0.00 -2.84 -0.33 0.00 0.00 0.00 0.00 53.44 50.27 1bnr n ALA 46 Cb 0.21 -0.97 0.11 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.84 1.81 -1.24 0.00 0.04 -1.12 -3.48 135.00 130.18 1bnr s PRO 47 Ca 0.34 1.71 -0.08 0.00 0.04 0.00 0.00 61.00 63.01 1bnr s PRO 47 Cb 0.21 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.94 1bnr s PRO 47 CO -0.13 -2.07 0.71 0.41 0.04 0.00 0.00 177.00 175.95 1bnr n GLY 48 N 0.35 -0.62 3.35 0.56 0.00 -1.26 -4.98 105.19 102.59 1bnr n GLY 48 Ca 0.13 0.30 -0.07 0.00 0.00 0.00 0.00 46.02 46.38 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 -5.92 0.38 0.51 1.61 3.01 -1.23 -5.05 119.74 113.05 1bnr s LYS 49 Ca 0.22 1.13 -0.01 0.00 -1.01 0.00 0.00 55.97 56.30 1bnr s LYS 49 Cb -0.07 0.45 0.01 0.00 -1.01 0.00 0.00 37.83 37.21 1bnr s LYS 49 CO 0.84 -0.24 0.76 -1.12 0.51 0.00 0.00 175.35 176.09 1bnr s SER 50 N 2.66 5.60 -0.34 2.83 0.01 -0.37 -4.92 113.70 119.18 1bnr s SER 50 Ca -0.03 0.30 -0.04 0.00 1.31 0.00 0.00 55.95 57.50 1bnr s SER 50 Cb -0.12 -1.38 0.06 0.00 0.21 0.00 0.00 66.02 64.79 1bnr s SER 50 CO -0.14 -0.92 0.09 -0.63 0.41 0.00 0.00 173.24 172.05 1bnr s ILE 51 N -2.72 3.40 0.05 1.44 -1.09 -1.25 -0.66 121.20 120.35 1bnr s ILE 51 Ca 0.52 -1.42 -0.27 0.00 -2.23 0.00 0.00 60.65 57.25 1bnr s ILE 51 Cb -0.10 -3.02 0.08 0.00 -1.58 0.00 0.00 42.46 37.84 1bnr s ILE 51 CO 0.40 -0.27 0.70 -0.83 -1.23 0.00 0.00 174.94 173.71 1bnr s GLY 52 N 1.47 -0.55 0.00 6.18 0.00 -1.17 0.11 107.32 113.36 1bnr s GLY 52 Ca -0.01 0.94 0.00 0.00 0.00 0.00 0.00 44.72 45.65 1bnr s GLY 52 CO -0.00 0.49 0.00 0.61 0.00 0.00 0.00 173.10 174.20 1bnr n GLY 53 N 0.10 1.73 3.70 0.20 0.00 -0.61 -2.23 105.19 108.08 1bnr n GLY 53 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 4.95 0.56 1.61 1.11 -1.13 -4.75 116.67 117.02 1bnr s ASP 54 Ca 0.00 -0.34 -0.19 0.00 0.18 0.00 0.00 52.55 52.20 1bnr s ASP 54 Cb 0.00 -1.11 -0.05 0.00 1.07 0.00 0.00 42.92 42.82 1bnr s ASP 54 CO 0.00 0.08 1.11 -0.63 1.18 0.00 0.00 175.17 176.91 1bnr s ILE 55 N -1.77 3.29 -0.46 0.77 -1.09 -1.26 -1.46 121.20 119.23 1bnr s ILE 55 Ca 0.29 0.76 0.02 0.00 -2.23 0.00 0.00 60.65 59.49 1bnr s ILE 55 Cb -0.09 -3.29 0.14 0.00 -1.58 0.00 0.00 42.46 37.64 1bnr s ILE 55 CO 0.20 -0.22 0.26 0.12 -1.23 0.00 0.00 174.94 174.07 1bnr s PHE 56 N -1.92 2.06 -0.98 3.97 5.36 -0.17 -4.64 117.98 121.66 1bnr s PHE 56 Ca 0.71 -2.49 0.07 0.00 -0.96 0.00 0.00 56.93 54.25 1bnr s PHE 56 Cb -0.22 -1.91 0.30 0.00 -0.34 0.00 0.00 43.02 40.85 1bnr s PHE 56 CO 0.29 -0.77 1.22 0.45 -1.46 0.00 0.00 175.22 174.95 1bnr n SER 57 N 3.41 0.02 -2.82 6.13 2.88 -1.26 -2.70 113.62 119.28 1bnr n SER 57 Ca 0.10 0.51 -0.12 0.00 -1.33 0.00 0.00 58.87 58.03 1bnr n SER 57 Cb 0.35 -0.51 0.06 0.00 -0.75 0.00 0.00 64.21 63.36 1bnr n SER 57 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1bnr n ASN 58 N -1.53 -2.81 0.06 -3.46 5.15 -1.26 -4.91 115.26 106.51 1bnr n ASN 58 Ca 0.01 -0.48 -0.11 0.00 -0.60 0.00 0.00 54.58 53.40 1bnr n ASN 58 Cb 0.08 -3.98 -0.05 0.00 -0.53 0.00 0.00 39.78 35.30 1bnr n ASN 58 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1bnr h ARG 59 N -1.28 -0.36 -0.87 1.20 2.43 -2.01 -1.48 114.38 112.01 1bnr h ARG 59 Ca -0.44 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 58.87 1bnr h ARG 59 Cb 1.25 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 30.80 1bnr h ARG 59 CO 0.36 -0.24 0.49 0.93 -1.51 0.00 0.00 179.97 180.01 1bnr h GLU 60 N -0.37 0.75 -2.39 0.20 5.08 -1.96 -3.46 114.58 112.43 1bnr h GLU 60 Ca 0.06 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1bnr h GLU 60 Cb 0.45 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1bnr h GLU 60 CO -0.21 0.50 0.00 0.41 -1.00 0.00 0.00 179.01 178.71 1bnr n GLY 61 N -1.33 0.83 0.00 -3.84 0.00 -0.56 -5.00 105.19 95.29 1bnr n GLY 61 Ca 0.16 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.19 5.02 -3.85 1.61 4.01 -1.26 -5.02 118.16 117.47 1bnr n LYS 62 Ca 0.00 -0.10 -0.33 0.00 -0.51 0.00 0.00 58.31 57.37 1bnr n LYS 62 Cb 0.43 -0.57 -0.05 0.00 -0.51 0.00 0.00 35.03 34.33 1bnr n LYS 62 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1bnr s LEU 63 N -1.49 4.36 -0.39 -0.35 1.43 -1.26 -4.93 118.68 116.05 1bnr s LEU 63 Ca 0.00 0.42 -0.27 0.00 -1.03 0.00 0.00 54.13 53.25 1bnr s LEU 63 Cb 0.00 -2.70 -0.06 0.00 0.03 0.00 0.00 46.19 43.46 1bnr s LEU 63 CO 0.00 0.24 2.29 -2.84 0.23 0.00 0.00 176.35 176.27 1bnr s PRO 64 N -1.97 2.55 -0.15 1.29 0.02 -1.26 -4.92 135.00 130.55 1bnr s PRO 64 Ca 0.29 1.60 -0.07 0.00 0.02 0.00 0.00 61.00 62.84 1bnr s PRO 64 Cb -0.13 -4.48 0.06 0.00 0.02 0.00 0.00 34.50 29.97 1bnr s PRO 64 CO 0.19 -2.76 0.35 0.20 -0.33 0.00 0.00 177.00 174.65 1bnr s GLY 65 N 10.31 -0.26 0.61 0.52 0.00 -1.26 -5.05 107.32 112.20 1bnr s GLY 65 Ca 0.97 1.32 -0.02 0.00 0.00 0.00 0.00 44.72 46.99 1bnr s GLY 65 CO 0.29 1.75 0.87 0.54 0.00 0.00 0.00 173.10 176.55 1bnr s LYS 66 N 1.72 2.38 -0.78 2.90 1.02 -1.26 -4.83 119.74 120.89 1bnr s LYS 66 Ca -0.07 -0.61 -0.25 0.00 0.02 0.00 0.00 55.97 55.06 1bnr s LYS 66 Cb -0.10 -2.37 -0.17 0.00 -0.52 0.00 0.00 37.83 34.67 1bnr s LYS 66 CO -0.11 -0.94 2.48 -1.13 -0.92 0.00 0.00 175.35 174.73 1bnr n SER 67 N -2.57 1.04 0.00 2.83 3.41 -1.26 -0.33 113.62 116.74 1bnr n SER 67 Ca 0.08 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 1bnr n SER 67 Cb 0.60 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 1bnr n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bnr n GLY 68 N 6.23 1.87 3.31 5.00 0.00 -1.26 -5.11 105.19 115.22 1bnr n GLY 68 Ca 0.52 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.05 3.35 0.57 1.61 3.52 0.55 -5.11 118.95 123.39 1bnr s ARG 69 Ca 0.00 -0.65 0.05 0.00 -0.13 0.00 0.00 55.73 55.00 1bnr s ARG 69 Cb 0.00 -2.92 0.10 0.00 -1.56 0.00 0.00 34.95 30.57 1bnr s ARG 69 CO 0.00 -0.14 0.79 2.41 -0.81 0.00 0.00 175.30 177.55 1bnr n THR 70 N 4.59 0.00 -4.05 4.11 -1.04 -1.26 -4.76 114.28 111.88 1bnr n THR 70 Ca -0.18 -1.59 -0.10 0.00 -2.04 0.00 0.00 64.05 60.13 1bnr n THR 70 Cb 0.51 -0.73 -0.06 0.00 -1.82 0.00 0.00 70.33 68.23 1bnr n THR 70 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1bnr s TRP 71 N -2.43 0.59 0.08 -1.42 0.52 -1.10 -4.58 118.94 110.60 1bnr s TRP 71 Ca 0.56 -0.91 0.04 0.00 0.02 0.00 0.00 56.10 55.81 1bnr s TRP 71 Cb -0.04 0.02 -0.03 0.00 -1.15 0.00 0.00 33.47 32.27 1bnr s TRP 71 CO 0.37 -0.95 -0.12 1.03 0.02 0.00 0.00 176.95 177.30 1bnr s ARG 72 N -3.92 0.80 0.12 4.98 0.52 0.15 -1.00 118.95 120.60 1bnr s ARG 72 Ca 0.26 -1.01 0.07 0.00 -0.52 0.00 0.00 55.73 54.54 1bnr s ARG 72 Cb 0.01 -0.67 -0.04 0.00 0.52 0.00 0.00 34.95 34.77 1bnr s ARG 72 CO 0.11 0.13 -0.18 -1.83 0.02 0.00 0.00 175.30 173.55 1bnr s GLU 73 N -2.09 1.10 0.01 3.54 -1.05 -0.53 -0.64 118.70 119.04 1bnr s GLU 73 Ca -0.00 -1.22 -0.12 0.00 -0.15 0.00 0.00 54.97 53.48 1bnr s GLU 73 Cb -0.08 -1.19 0.01 0.00 -0.44 0.00 0.00 34.13 32.43 1bnr s GLU 73 CO 0.01 0.26 0.25 0.00 0.95 0.00 0.00 175.26 176.73 1bnr s ALA 74 N -1.64 -0.60 0.24 -0.84 0.00 -0.21 -1.57 121.76 117.14 1bnr s ALA 74 Ca 0.08 0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.82 1bnr s ALA 74 Cb -0.08 0.15 -0.09 0.00 0.00 0.00 0.00 23.12 23.11 1bnr s ALA 74 CO 0.04 -0.29 1.15 -0.51 0.00 0.00 0.00 175.76 176.15 1bnr s ASP 75 N -1.58 7.17 -0.26 0.00 1.11 0.12 -1.44 116.67 121.79 1bnr s ASP 75 Ca -0.11 2.27 0.00 0.00 0.18 0.00 0.00 52.55 54.89 1bnr s ASP 75 Cb -0.04 -2.62 0.04 0.00 1.07 0.00 0.00 42.92 41.37 1bnr s ASP 75 CO 0.01 -0.25 -0.07 -0.63 1.18 0.00 0.00 175.17 175.41 1bnr s ILE 76 N -0.70 2.62 0.08 0.77 -1.09 -0.36 -4.71 121.20 117.81 1bnr s ILE 76 Ca 0.48 -1.34 0.00 0.00 -2.23 0.00 0.00 60.65 57.56 1bnr s ILE 76 Cb -0.32 -2.44 0.00 0.00 -1.58 0.00 0.00 42.46 38.12 1bnr s ILE 76 CO 0.40 0.05 0.00 -3.20 -1.23 0.00 0.00 174.94 170.96 1bnr n ASN 77 N 4.57 -4.23 -3.37 3.58 2.85 0.32 -4.29 115.26 114.70 1bnr n ASN 77 Ca -0.15 0.43 0.02 0.00 -0.11 0.00 0.00 54.58 54.77 1bnr n ASN 77 Cb 0.44 -1.84 -0.04 0.00 1.24 0.00 0.00 39.78 39.58 1bnr n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1bnr s TYR 78 N -0.52 -0.66 -0.01 1.20 6.14 -1.26 -4.82 117.35 117.42 1bnr s TYR 78 Ca 0.00 1.10 -0.00 0.00 0.64 0.00 0.00 57.07 58.81 1bnr s TYR 78 Cb 0.00 0.38 -0.01 0.00 0.42 0.00 0.00 41.96 42.75 1bnr s TYR 78 CO 0.00 -0.33 -0.01 2.41 0.64 0.00 0.00 175.55 178.26 1bnr n THR 79 N 5.00 0.05 0.00 4.34 -1.04 -1.26 -5.04 114.28 116.33 1bnr n THR 79 Ca -0.09 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1bnr n THR 79 Cb 0.53 -0.91 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 1bnr n THR 79 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1bnr n SER 80 N -2.73 0.00 0.00 8.00 7.64 -1.26 -4.99 113.62 120.28 1bnr n SER 80 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1bnr n SER 80 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1bnr n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bnr n GLY 81 N -0.32 -1.84 3.77 0.23 0.00 -1.26 -4.93 105.19 100.84 1bnr n GLY 81 Ca 0.00 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.72 1bnr n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bnr s PHE 82 N 0.00 3.08 0.27 1.61 0.40 -1.26 -4.69 117.98 117.40 1bnr s PHE 82 Ca 0.00 1.55 -0.26 0.00 -0.60 0.00 0.00 56.93 57.62 1bnr s PHE 82 Cb 0.00 -3.41 -0.16 0.00 0.51 0.00 0.00 43.02 39.96 1bnr s PHE 82 CO 0.00 -1.33 0.42 -2.13 0.70 0.00 0.00 175.22 172.89 1bnr n ARG 83 N 0.14 0.09 -1.67 0.44 3.00 -1.06 -4.94 116.66 112.66 1bnr n ARG 83 Ca 0.04 0.03 -0.17 0.00 -0.00 0.00 0.00 57.85 57.75 1bnr n ARG 83 Cb 0.46 -1.06 0.10 0.00 0.00 0.00 0.00 32.46 31.96 1bnr n ARG 83 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1bnr n ASN 84 N 2.03 0.59 -0.51 6.15 2.04 -1.26 -5.01 115.26 119.28 1bnr n ASN 84 Ca 0.15 -1.59 0.05 0.00 -0.44 0.00 0.00 54.58 52.76 1bnr n ASN 84 Cb 0.30 -0.52 0.09 0.00 -2.53 0.00 0.00 39.78 37.12 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 -3.17 2.30 -4.71 0.53 3.41 -1.26 -4.96 113.62 105.76 1bnr n SER 85 Ca 0.11 -1.67 -0.39 0.00 -0.26 0.00 0.00 58.87 56.66 1bnr n SER 85 Cb 0.39 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.19 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 -0.94 6.78 0.18 4.04 1.11 -1.26 -0.15 116.67 126.42 1bnr s ASP 86 Ca 0.17 0.94 -0.22 0.00 0.18 0.00 0.00 52.55 53.62 1bnr s ASP 86 Cb 0.10 -2.34 0.06 0.00 1.07 0.00 0.00 42.92 41.81 1bnr s ASP 86 CO 0.14 -0.08 0.59 -0.13 1.18 0.00 0.00 175.17 176.87 1bnr s ARG 87 N 0.89 1.34 0.15 8.23 0.52 -0.63 -1.22 118.95 128.23 1bnr s ARG 87 Ca 0.30 -0.60 0.10 0.00 -0.52 0.00 0.00 55.73 55.01 1bnr s ARG 87 Cb -0.16 0.58 -0.04 0.00 0.52 0.00 0.00 34.95 35.84 1bnr s ARG 87 CO 0.13 -0.59 -0.22 -1.50 0.02 0.00 0.00 175.30 173.15 1bnr s ILE 88 N -3.79 2.01 -0.18 1.52 2.07 -0.52 -1.08 121.20 121.23 1bnr s ILE 88 Ca 0.03 -1.85 0.01 0.00 -1.41 0.00 0.00 60.65 57.43 1bnr s ILE 88 Cb -0.01 -1.88 0.01 0.00 0.13 0.00 0.00 42.46 40.71 1bnr s ILE 88 CO -0.09 -0.15 -0.18 -0.76 -1.91 0.00 0.00 174.94 171.85 1bnr s LEU 89 N -2.42 2.23 -0.06 8.50 2.01 -0.33 -1.05 118.68 127.57 1bnr s LEU 89 Ca 0.15 -0.61 0.03 0.00 0.01 0.00 0.00 54.13 53.71 1bnr s LEU 89 Cb -0.08 -1.51 -0.02 0.00 0.01 0.00 0.00 46.19 44.59 1bnr s LEU 89 CO 0.07 0.01 -0.14 -0.72 1.01 0.00 0.00 176.35 176.58 1bnr s TYR 90 N 1.25 2.73 0.46 0.29 1.13 0.19 -1.38 117.35 122.03 1bnr s TYR 90 Ca 0.04 -0.22 0.07 0.00 -1.41 0.00 0.00 57.07 55.54 1bnr s TYR 90 Cb -0.13 -1.67 0.00 0.00 -1.10 0.00 0.00 41.96 39.06 1bnr s TYR 90 CO -0.10 0.13 0.40 0.45 -2.51 0.00 0.00 175.55 173.92 1bnr s SER 91 N -0.56 4.90 0.54 -0.18 0.15 -0.04 0.30 113.70 118.81 1bnr s SER 91 Ca 0.08 -0.91 0.32 0.00 0.70 0.00 0.00 55.95 56.13 1bnr s SER 91 Cb -0.11 -0.24 1.52 0.00 -1.71 0.00 0.00 66.02 65.48 1bnr s SER 91 CO 0.01 -0.81 2.07 0.77 1.20 0.00 0.00 173.24 176.48 1bnr h SER 92 N 0.92 0.00 -0.31 5.45 4.64 -1.91 -0.52 113.55 121.83 1bnr h SER 92 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1bnr h SER 92 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1bnr h SER 92 CO 0.57 0.08 0.00 -0.90 -0.87 0.00 0.00 176.83 175.71 1bnr n ASP 93 N -3.36 2.80 -1.52 4.97 5.75 -1.26 -4.85 116.55 119.08 1bnr n ASP 93 Ca -0.01 -2.29 -0.13 0.00 -0.01 0.00 0.00 54.79 52.35 1bnr n ASP 93 Cb 0.25 -0.46 -0.00 0.00 -1.03 0.00 0.00 41.12 39.88 1bnr n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bnr n TRP 94 N 0.39 -0.66 -2.81 2.11 5.03 -0.20 -4.96 117.44 116.33 1bnr n TRP 94 Ca 0.13 0.02 -0.42 0.00 3.03 0.00 0.00 57.50 60.26 1bnr n TRP 94 Cb 0.56 -2.88 -0.04 0.00 -1.03 0.00 0.00 31.31 27.93 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 -3.78 4.04 -0.30 -0.99 1.43 -1.25 -4.78 118.68 113.06 1bnr s LEU 95 Ca 0.01 0.92 -0.02 0.00 -1.03 0.00 0.00 54.13 54.02 1bnr s LEU 95 Cb -0.01 -3.29 0.05 0.00 0.03 0.00 0.00 46.19 42.98 1bnr s LEU 95 CO 0.02 -0.69 0.01 -0.63 0.23 0.00 0.00 176.35 175.29 1bnr s ILE 96 N 3.18 2.97 -0.21 -0.59 1.01 -1.26 -0.86 121.20 125.44 1bnr s ILE 96 Ca 0.38 -1.43 -0.03 0.00 0.00 0.00 0.00 60.65 59.57 1bnr s ILE 96 Cb -0.14 -2.73 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 1bnr s ILE 96 CO 0.12 -0.13 -0.07 -0.31 0.00 0.00 0.00 174.94 174.55 1bnr s TYR 97 N 1.24 2.93 0.31 3.97 1.51 -0.48 -1.65 117.35 125.18 1bnr s TYR 97 Ca -0.05 -0.99 -0.10 0.00 -1.01 0.00 0.00 57.07 54.92 1bnr s TYR 97 Cb -0.20 -2.07 -0.07 0.00 -0.11 0.00 0.00 41.96 39.52 1bnr s TYR 97 CO -0.01 -0.55 0.65 -1.59 -1.11 0.00 0.00 175.55 172.94 1bnr s LYS 98 N 1.37 3.81 -0.05 -0.62 -2.85 -0.35 -1.19 119.74 119.86 1bnr s LYS 98 Ca 0.05 0.36 -0.01 0.00 -1.00 0.00 0.00 55.97 55.37 1bnr s LYS 98 Cb -0.14 -2.53 0.03 0.00 -2.06 0.00 0.00 37.83 33.12 1bnr s LYS 98 CO -0.04 0.17 0.00 -0.08 0.10 0.00 0.00 175.35 175.50 1bnr s THR 99 N -2.05 0.30 -0.32 3.79 -1.32 -0.24 -1.26 115.64 114.53 1bnr s THR 99 Ca 0.49 0.11 0.08 0.00 -1.21 0.00 0.00 61.69 61.16 1bnr s THR 99 Cb -0.11 -0.43 0.55 0.00 -1.51 0.00 0.00 72.50 71.00 1bnr s THR 99 CO 0.25 0.22 1.57 0.41 -2.21 0.00 0.00 174.62 174.86 1bnr n THR 100 N 4.75 2.70 -2.02 5.08 -1.04 -1.26 -1.60 114.28 120.89 1bnr n THR 100 Ca -0.14 -2.51 -0.00 0.00 -2.04 0.00 0.00 64.05 59.36 1bnr n THR 100 Cb 0.50 -0.35 -0.00 0.00 -1.82 0.00 0.00 70.33 68.66 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 -1.08 -0.00 -1.54 8.00 5.68 -1.21 -4.76 116.55 121.65 1bnr n ASP 101 Ca 0.39 -1.53 -0.00 0.00 -0.50 0.00 0.00 54.79 53.15 1bnr n ASP 101 Cb 1.18 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 41.07 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 0.02 -0.07 -1.39 2.11 -0.00 0.78 -3.78 115.22 112.88 1bnr n HIS 102 Ca -0.01 0.03 -0.10 0.00 -0.00 0.00 0.00 57.72 57.64 1bnr n HIS 102 Cb 0.62 -1.56 -0.04 0.00 -0.00 0.00 0.00 29.99 29.01 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 -0.97 -0.62 0.59 1.57 4.02 -1.26 -4.71 117.16 115.78 1bnr n TYR 103 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.01 1bnr n TYR 103 Cb 0.45 -2.20 0.09 0.00 -0.02 0.00 0.00 39.34 37.66 1bnr n TYR 103 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1bnr n GLN 104 N -1.75 0.27 -3.92 -0.72 6.02 -1.25 -4.91 117.38 111.12 1bnr n GLN 104 Ca -0.10 0.03 -0.09 0.00 -0.01 0.00 0.00 57.00 56.83 1bnr n GLN 104 Cb 0.35 -1.62 -0.09 0.00 1.02 0.00 0.00 30.24 29.90 1bnr n GLN 104 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1bnr s THR 105 N -3.18 0.15 -0.13 5.09 2.01 -1.26 -5.01 115.64 113.32 1bnr s THR 105 Ca 0.05 -1.20 -0.05 0.00 0.31 0.00 0.00 61.69 60.80 1bnr s THR 105 Cb 0.14 -1.12 0.06 0.00 0.01 0.00 0.00 72.50 71.59 1bnr s THR 105 CO 0.77 -0.66 0.26 -0.36 -0.69 0.00 0.00 174.62 173.94 1bnr s PHE 106 N -3.17 -0.41 -0.12 4.92 0.08 -1.24 -4.01 117.98 114.03 1bnr s PHE 106 Ca -0.00 0.95 0.01 0.00 0.12 0.00 0.00 56.93 58.00 1bnr s PHE 106 Cb 0.02 -0.02 -0.01 0.00 -0.57 0.00 0.00 43.02 42.44 1bnr s PHE 106 CO -0.07 -0.34 -0.15 0.99 -0.10 0.00 0.00 175.22 175.55 1bnr s THR 107 N 2.23 2.88 -0.37 0.64 2.01 -0.39 -4.83 115.64 117.80 1bnr s THR 107 Ca -0.00 -0.73 -0.29 0.00 0.31 0.00 0.00 61.69 60.98 1bnr s THR 107 Cb -0.12 -2.19 0.02 0.00 0.01 0.00 0.00 72.50 70.22 1bnr s THR 107 CO -0.09 0.53 1.17 -0.75 -0.69 0.00 0.00 174.62 174.80 1bnr s LYS 108 N 0.30 3.89 -0.05 4.92 2.20 -1.26 -1.20 119.74 128.53 1bnr s LYS 108 Ca -0.11 0.95 0.09 0.00 -0.36 0.00 0.00 55.97 56.53 1bnr s LYS 108 Cb -0.16 -3.84 -0.13 0.00 -1.51 0.00 0.00 37.83 32.19 1bnr s LYS 108 CO 0.06 -1.15 0.11 0.44 -0.36 0.00 0.00 175.35 174.45 1bnr n ILE 109 N 6.34 0.34 -1.83 5.43 -5.35 -0.66 -5.01 119.36 118.63 1bnr n ILE 109 Ca 0.13 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 1bnr n ILE 109 Cb 0.48 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.07 1bnr n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33