#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1krx s GLN 2 N 0.00 3.98 0.65 2.12 -0.21 -1.26 -4.89 119.66 120.04 1krx s GLN 2 Ca 0.00 1.97 0.42 0.00 0.02 0.00 0.00 55.36 57.77 1krx s GLN 2 Cb 0.00 -2.68 2.24 0.00 1.00 0.00 0.00 33.01 33.57 1krx s GLN 2 CO 0.00 -0.42 2.31 0.07 -2.12 0.00 0.00 175.29 175.13 1krx h ARG 3 N 2.59 0.00 -3.84 2.91 -0.00 -2.05 -3.47 114.38 110.52 1krx h ARG 3 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.49 1krx h ARG 3 Cb 1.24 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.19 1krx h ARG 3 CO 0.62 0.00 -0.49 0.41 -0.00 0.00 0.00 179.97 180.52 1krx n GLY 4 N -0.95 -3.60 3.36 0.08 0.00 -1.26 -4.45 105.19 98.37 1krx n GLY 4 Ca -0.03 0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1krx n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1krx s ILE 5 N -0.53 4.03 -0.19 -0.61 1.09 -1.26 -0.38 121.20 123.35 1krx s ILE 5 Ca -0.04 -0.62 -0.06 0.00 -1.10 0.00 0.00 60.65 58.84 1krx s ILE 5 Cb 0.00 -3.05 -0.03 0.00 -1.06 0.00 0.00 42.46 38.32 1krx s ILE 5 CO 0.32 0.11 0.02 0.54 -0.10 0.00 0.00 174.94 175.83 1krx s VAL 6 N 1.52 4.22 0.07 2.92 0.11 0.23 -0.07 120.40 129.38 1krx s VAL 6 Ca 0.03 -0.23 0.07 0.00 -2.93 0.00 0.00 61.98 58.92 1krx s VAL 6 Cb -0.17 -2.90 -0.04 0.00 -1.53 0.00 0.00 36.38 31.75 1krx s VAL 6 CO 0.03 0.44 -0.14 0.26 -3.33 0.00 0.00 175.10 172.35 1krx s TRP 7 N 0.76 2.65 0.02 1.54 0.52 -0.60 -1.61 118.94 122.22 1krx s TRP 7 Ca 0.01 -0.20 0.01 0.00 0.02 0.00 0.00 56.10 55.95 1krx s TRP 7 Cb -0.14 -1.45 -0.01 0.00 -1.15 0.00 0.00 33.47 30.71 1krx s TRP 7 CO 0.02 0.35 -0.05 0.08 0.02 0.00 0.00 176.95 177.36 1krx s VAL 8 N -1.06 0.35 -0.20 4.03 1.01 0.12 -1.06 120.40 123.59 1krx s VAL 8 Ca 0.17 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 1krx s VAL 8 Cb -0.11 -0.39 0.05 0.00 0.00 0.00 0.00 36.38 35.94 1krx s VAL 8 CO 0.09 -0.21 -0.03 -0.69 0.00 0.00 0.00 175.10 174.26 1krx s VAL 9 N -0.84 1.11 0.00 2.92 1.01 0.48 -0.99 120.40 124.08 1krx s VAL 9 Ca -0.06 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1krx s VAL 9 Cb -0.06 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1krx s VAL 9 CO -0.00 -0.03 0.00 -0.67 0.00 0.00 0.00 175.10 174.39 1krx n ASP 10 N 4.85 0.00 0.00 3.32 2.03 -1.15 0.21 116.55 125.80 1krx n ASP 10 Ca -0.11 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.21 1krx n ASP 10 Cb 0.46 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.90 1krx n ASP 10 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1krx n ASP 11 N 0.00 0.00 0.00 1.67 2.03 -1.26 -3.83 116.55 115.16 1krx n ASP 11 Ca 0.00 -0.66 0.00 0.00 0.52 0.00 0.00 54.79 54.65 1krx n ASP 11 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1krx n ASP 11 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1krx n ASP 12 N -0.56 0.00 0.00 1.67 5.68 -1.25 -4.47 116.55 117.62 1krx n ASP 12 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 1krx n ASP 12 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1krx n ASP 12 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1krx n SER 13 N -2.17 0.00 0.12 -1.12 2.88 -1.26 0.40 113.62 112.47 1krx n SER 13 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1krx n SER 13 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1krx n SER 13 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1krx h SER 14 N 0.00 -0.34 0.15 -3.46 0.02 -2.01 0.26 113.55 108.17 1krx h SER 14 Ca 0.00 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1krx h SER 14 Cb 0.00 0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 1krx h SER 14 CO 0.00 -0.20 -0.12 0.40 -1.14 0.00 0.00 176.83 175.77 1krx h ILE 15 N -0.30 1.00 0.28 3.27 1.08 -0.34 -2.92 117.51 119.58 1krx h ILE 15 Ca -0.00 -0.43 -0.01 0.00 -0.39 0.00 0.00 64.86 64.02 1krx h ILE 15 Cb 0.27 1.24 0.00 0.00 -3.07 0.00 0.00 36.82 35.26 1krx h ILE 15 CO -0.02 0.12 -0.14 -0.09 -0.69 0.00 0.00 178.15 177.34 1krx h ARG 16 N 0.00 -0.36 -0.99 2.37 2.43 -1.28 -2.70 114.38 113.85 1krx h ARG 16 Ca -0.00 0.02 0.21 0.00 -0.81 0.00 0.00 59.98 59.40 1krx h ARG 16 Cb 0.23 0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 29.75 1krx h ARG 16 CO 0.02 -0.09 0.58 2.35 -1.51 0.00 0.00 179.97 181.31 1krx h TRP 17 N -1.02 1.01 0.28 2.20 7.01 -0.91 0.80 115.95 125.32 1krx h TRP 17 Ca -0.04 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 1krx h TRP 17 Cb 0.44 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.21 1krx h TRP 17 CO 0.04 0.16 -0.13 0.28 -2.79 0.00 0.00 178.44 175.99 1krx h VAL 18 N 0.68 0.52 0.00 2.65 2.07 -1.61 -3.14 116.25 117.42 1krx h VAL 18 Ca 0.59 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1krx h VAL 18 Cb 1.00 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1krx h VAL 18 CO -0.42 0.13 -0.17 0.25 0.02 0.00 0.00 177.57 177.37 1krx h LEU 19 N -0.95 0.00 0.62 2.57 5.85 -1.19 -1.89 115.31 120.33 1krx h LEU 19 Ca -0.04 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1krx h LEU 19 Cb 0.49 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.53 1krx h LEU 19 CO 0.06 0.17 -0.30 1.05 -0.34 0.00 0.00 178.44 179.09 1krx h GLU 20 N 0.00 -0.80 0.11 1.25 4.11 0.53 -2.65 114.58 117.13 1krx h GLU 20 Ca -0.00 0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.48 1krx h GLU 20 Cb 0.71 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1krx h GLU 20 CO 0.02 -0.53 -0.05 0.00 0.07 0.00 0.00 179.01 178.52 1krx h ARG 21 N -1.22 -0.14 0.07 1.06 2.47 -1.63 -2.27 114.38 112.73 1krx h ARG 21 Ca -0.08 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.66 1krx h ARG 21 Cb 0.64 0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.94 1krx h ARG 21 CO 0.14 0.36 -0.54 0.00 0.56 0.00 0.00 179.97 180.49 1krx h ALA 22 N -0.06 -0.99 0.00 0.04 0.00 -1.51 0.16 119.26 116.91 1krx h ALA 22 Ca -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1krx h ALA 22 Cb 0.56 0.93 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1krx h ALA 22 CO 0.02 -1.13 -0.02 1.25 0.00 0.00 0.00 179.25 179.37 1krx h LEU 23 N -0.73 0.00 -0.71 0.00 5.85 -1.61 0.11 115.31 118.23 1krx h LEU 23 Ca 0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 1krx h LEU 23 Cb 0.75 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1krx h LEU 23 CO -0.32 0.02 -0.20 0.00 -0.34 0.00 0.00 178.44 177.60 1krx h ALA 24 N 1.98 0.89 0.00 1.25 0.00 -0.15 -2.10 119.26 121.14 1krx h ALA 24 Ca -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1krx h ALA 24 Cb 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1krx h ALA 24 CO 0.00 0.63 -0.08 0.78 0.00 0.00 0.00 179.25 180.58 1krx h GLY 25 N 0.97 0.00 2.00 0.00 0.00 0.86 -0.56 103.07 106.33 1krx h GLY 25 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1krx h GLY 25 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.59 1krx h ALA 26 N 1.92 1.00 0.00 3.60 0.00 -1.30 -3.47 119.26 121.01 1krx h ALA 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1krx h ALA 26 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1krx h ALA 26 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1krx n GLY 27 N 0.91 1.54 3.43 0.00 0.00 -0.22 -5.12 105.19 105.73 1krx n GLY 27 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1krx n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1krx s LEU 28 N 0.00 1.98 -0.42 0.99 1.02 -1.16 -4.65 118.68 116.45 1krx s LEU 28 Ca 0.00 -1.46 -0.10 0.00 0.02 0.00 0.00 54.13 52.59 1krx s LEU 28 Cb 0.00 -0.19 0.07 0.00 0.02 0.00 0.00 46.19 46.09 1krx s LEU 28 CO 0.00 -0.73 0.26 -0.89 0.02 0.00 0.00 176.35 175.01 1krx s THR 29 N -3.40 4.38 -0.33 5.49 2.01 0.49 -3.94 115.64 120.33 1krx s THR 29 Ca 0.34 -1.28 -0.12 0.00 0.31 0.00 0.00 61.69 60.93 1krx s THR 29 Cb 0.07 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 1krx s THR 29 CO 0.15 -0.47 0.23 0.00 -0.69 0.00 0.00 174.62 173.84 1krx s THR 31 N 1.71 2.72 0.18 0.00 -1.32 -0.64 -4.37 115.64 113.92 1krx s THR 31 Ca 0.06 -2.02 0.05 0.00 -1.21 0.00 0.00 61.69 58.57 1krx s THR 31 Cb -0.17 -2.36 -0.05 0.00 -1.51 0.00 0.00 72.50 68.41 1krx s THR 31 CO 0.10 -0.21 -0.09 0.42 -2.21 0.00 0.00 174.62 172.62 1krx s THR 32 N -1.96 1.30 0.33 5.08 -4.23 -1.25 0.12 115.64 115.02 1krx s THR 32 Ca 0.25 -2.10 0.03 0.00 -1.18 0.00 0.00 61.69 58.70 1krx s THR 32 Cb -0.07 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.74 1krx s THR 32 CO 0.14 -0.63 0.14 -0.36 -0.54 0.00 0.00 174.62 173.36 1krx s PHE 33 N -3.25 1.68 0.11 3.99 0.40 -0.16 -4.93 117.98 115.83 1krx s PHE 33 Ca 0.20 -1.29 -0.22 0.00 -0.60 0.00 0.00 56.93 55.02 1krx s PHE 33 Cb 0.02 -0.98 -0.10 0.00 0.51 0.00 0.00 43.02 42.48 1krx s PHE 33 CO 0.04 -0.40 1.74 1.05 0.70 0.00 0.00 175.22 178.34 1krx h GLU 34 N 2.12 0.05 0.00 0.44 -0.00 -1.90 -3.05 114.58 112.24 1krx h GLU 34 Ca -0.35 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.01 1krx h GLU 34 Cb 1.25 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.99 1krx h GLU 34 CO 0.55 0.04 0.00 0.09 -0.00 0.00 0.00 179.01 179.69 1krx n ASN 35 N -5.09 -0.47 0.00 3.06 5.03 -1.25 -4.26 115.26 112.28 1krx n ASN 35 Ca -0.05 0.12 0.00 0.00 0.87 0.00 0.00 54.58 55.52 1krx n ASN 35 Cb 0.05 0.76 0.00 0.00 -1.02 0.00 0.00 39.78 39.57 1krx n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1krx n GLY 36 N -0.68 -0.03 0.26 7.41 0.00 -1.26 -2.84 105.19 108.05 1krx n GLY 36 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.11 1krx n GLY 36 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1krx h ASN 37 N 0.00 0.00 -0.26 1.61 -0.26 -1.97 -2.51 115.58 112.20 1krx h ASN 37 Ca 0.00 0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.75 1krx h ASN 37 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 1krx h ASN 37 CO 0.00 0.09 0.16 -0.33 -1.06 0.00 0.00 177.43 176.29 1krx h GLU 38 N 0.00 0.31 -0.68 0.81 4.39 -1.98 -2.51 114.58 114.93 1krx h GLU 38 Ca -0.00 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1krx h GLU 38 Cb 0.20 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1krx h GLU 38 CO 0.01 0.21 0.33 0.28 -1.16 0.00 0.00 179.01 178.68 1krx h VAL 39 N 0.32 1.23 -0.87 3.13 2.07 -1.84 -1.40 116.25 118.90 1krx h VAL 39 Ca 0.10 -0.64 0.15 0.00 0.82 0.00 0.00 66.70 67.13 1krx h VAL 39 Cb -0.02 0.39 -0.10 0.00 -1.52 0.00 0.00 31.29 30.05 1krx h VAL 39 CO -0.04 0.27 0.45 -0.07 0.02 0.00 0.00 177.57 178.20 1krx h LEU 40 N 0.95 0.55 -0.03 2.57 3.38 -1.39 1.02 115.31 122.36 1krx h LEU 40 Ca 0.23 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.26 1krx h LEU 40 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1krx h LEU 40 CO -0.03 0.23 -0.12 0.00 0.09 0.00 0.00 178.44 178.61 1krx h ALA 41 N 1.57 0.06 -0.19 1.53 0.00 -1.08 -3.13 119.26 118.02 1krx h ALA 41 Ca 0.48 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1krx h ALA 41 Cb 0.68 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1krx h ALA 41 CO -0.37 -0.04 0.02 0.00 0.00 0.00 0.00 179.25 178.87 1krx h ALA 42 N 0.40 1.69 0.00 0.00 0.00 -0.52 -1.39 119.26 119.43 1krx h ALA 42 Ca -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1krx h ALA 42 Cb 0.75 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1krx h ALA 42 CO 0.02 0.24 -0.06 -0.07 0.00 0.00 0.00 179.25 179.38 1krx h LEU 43 N 0.27 0.00 -2.72 0.00 3.38 0.11 -2.73 115.31 113.61 1krx h LEU 43 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1krx h LEU 43 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1krx h LEU 43 CO 0.00 0.06 0.09 0.00 0.09 0.00 0.00 178.44 178.68 1krx h ALA 44 N 1.94 1.09 0.00 1.53 0.00 -1.19 -2.26 119.26 120.37 1krx h ALA 44 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1krx h ALA 44 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1krx h ALA 44 CO 0.01 -0.09 0.00 0.43 0.00 0.00 0.00 179.25 179.60 1krx n SER 45 N -3.03 0.58 -3.65 0.00 7.64 -1.08 -5.07 113.62 109.01 1krx n SER 45 Ca -0.03 -0.92 -0.14 0.00 1.01 0.00 0.00 58.87 58.79 1krx n SER 45 Cb 0.15 0.08 -0.07 0.00 -1.01 0.00 0.00 64.21 63.36 1krx n SER 45 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1krx s LYS 46 N -0.08 0.90 -0.14 1.43 2.20 -0.85 -5.15 119.74 118.05 1krx s LYS 46 Ca 0.00 -0.24 -0.04 0.00 -0.36 0.00 0.00 55.97 55.33 1krx s LYS 46 Cb 0.00 0.41 0.05 0.00 -1.51 0.00 0.00 37.83 36.78 1krx s LYS 46 CO 0.00 -0.30 0.07 0.99 -0.36 0.00 0.00 175.35 175.75 1krx s THR 47 N -2.10 0.01 0.74 3.43 2.01 -1.26 -3.95 115.64 114.52 1krx s THR 47 Ca -0.08 -0.08 -0.11 0.00 0.31 0.00 0.00 61.69 61.73 1krx s THR 47 Cb -0.02 -0.55 0.04 0.00 0.01 0.00 0.00 72.50 71.98 1krx s THR 47 CO 0.00 -0.15 1.09 -2.16 -0.69 0.00 0.00 174.62 172.72 1krx s PRO 48 N 2.10 2.54 0.35 4.92 0.04 -1.26 -4.97 135.00 138.72 1krx s PRO 48 Ca 0.02 0.58 0.18 0.00 0.04 0.00 0.00 61.00 61.83 1krx s PRO 48 Cb -0.15 -1.97 0.53 0.00 0.04 0.00 0.00 34.50 32.94 1krx s PRO 48 CO -0.07 -1.29 1.66 -0.44 0.04 0.00 0.00 177.00 176.90 1krx h ASP 49 N -0.84 0.00 -5.17 6.66 5.19 -0.86 -3.46 116.42 117.94 1krx h ASP 49 Ca -0.46 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 55.86 1krx h ASP 49 Cb 1.26 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.62 1krx h ASP 49 CO 0.61 0.40 -0.45 0.54 -3.12 0.00 0.00 179.24 177.22 1krx s VAL 50 N -3.42 0.16 0.06 -1.35 0.11 -1.11 -4.47 120.40 110.38 1krx s VAL 50 Ca 0.01 -1.33 -0.17 0.00 -2.93 0.00 0.00 61.98 57.56 1krx s VAL 50 Cb 0.10 -1.36 0.03 0.00 -1.53 0.00 0.00 36.38 33.62 1krx s VAL 50 CO 0.70 -0.73 0.40 -0.22 -3.33 0.00 0.00 175.10 171.91 1krx s LEU 51 N -2.83 0.45 -0.04 2.54 2.96 -0.03 -1.56 118.68 120.17 1krx s LEU 51 Ca 0.05 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 1krx s LEU 51 Cb 0.05 1.72 0.03 0.00 0.50 0.00 0.00 46.19 48.49 1krx s LEU 51 CO -0.10 -0.70 -0.01 -0.76 -1.32 0.00 0.00 176.35 173.46 1krx s LEU 52 N -2.17 1.06 -0.08 -0.68 1.43 -0.22 0.12 118.68 118.13 1krx s LEU 52 Ca -0.04 -0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1krx s LEU 52 Cb -0.00 -0.32 -0.03 0.00 0.03 0.00 0.00 46.19 45.86 1krx s LEU 52 CO -0.04 -0.11 0.01 -0.55 0.23 0.00 0.00 176.35 175.88 1krx s SER 53 N 1.21 5.28 0.28 2.29 0.15 0.54 0.18 113.70 123.63 1krx s SER 53 Ca -0.07 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1krx s SER 53 Cb -0.13 -1.49 0.39 0.00 -1.71 0.00 0.00 66.02 63.08 1krx s SER 53 CO -0.02 0.37 1.76 -0.78 1.20 0.00 0.00 173.24 175.77 1krx h ASP 54 N 5.10 0.63 -6.05 5.45 1.82 0.25 -2.36 116.42 121.26 1krx h ASP 54 Ca -0.51 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 55.96 1krx h ASP 54 Cb 1.19 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 41.03 1krx h ASP 54 CO 0.55 0.76 -0.99 0.00 -1.61 0.00 0.00 179.24 177.95 1krx n ILE 55 N -4.19 -4.59 -2.80 2.25 0.00 -1.26 -4.44 119.36 104.33 1krx n ILE 55 Ca 0.01 0.85 0.02 0.00 0.00 0.00 0.00 62.75 63.63 1krx n ILE 55 Cb 0.33 -4.01 0.00 0.00 0.00 0.00 0.00 39.64 35.97 1krx n ILE 55 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1krx s ARG 56 N -1.15 0.21 -1.42 9.51 3.52 -1.18 -4.70 118.95 123.74 1krx s ARG 56 Ca -0.00 -0.06 -0.07 0.00 -0.13 0.00 0.00 55.73 55.47 1krx s ARG 56 Cb 0.00 0.03 0.04 0.00 -1.56 0.00 0.00 34.95 33.46 1krx s ARG 56 CO 0.20 -0.30 0.84 -1.33 -0.81 0.00 0.00 175.30 173.90 1krx n MET 57 N 3.78 -5.24 -0.09 5.12 2.00 -0.93 -4.83 117.12 116.93 1krx n MET 57 Ca 0.06 0.61 -0.13 0.00 0.00 0.00 0.00 57.70 58.24 1krx n MET 57 Cb 0.63 -5.33 -0.07 0.00 0.00 0.00 0.00 33.22 28.46 1krx n MET 57 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1krx h PRO 58 N -2.00 0.00 0.00 0.03 0.13 -1.90 -3.47 132.00 124.80 1krx h PRO 58 Ca -0.60 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 1krx h PRO 58 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1krx h PRO 58 CO 0.62 0.51 0.00 0.41 -0.23 0.00 0.00 178.00 179.31 1krx n GLY 59 N 1.54 0.06 2.73 1.56 0.00 -1.26 -5.00 105.19 104.82 1krx n GLY 59 Ca -0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 1krx n GLY 59 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1krx n MET 60 N 0.00 0.64 0.00 1.61 0.00 -1.26 -4.89 117.12 113.22 1krx n MET 60 Ca 0.00 -1.51 0.00 0.00 -0.00 0.00 0.00 57.70 56.19 1krx n MET 60 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 33.22 32.02 1krx n MET 60 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1krx n ASP 61 N 1.60 0.00 0.00 6.12 -0.08 -1.26 -2.33 116.55 120.61 1krx n ASP 61 Ca 0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 1krx n ASP 61 Cb 0.65 -0.22 0.00 0.00 2.34 0.00 0.00 41.12 43.89 1krx n ASP 61 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1krx n GLY 62 N -1.11 3.10 0.17 0.27 0.00 -1.26 -2.19 105.19 104.16 1krx n GLY 62 Ca 0.00 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.77 1krx n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1krx h LEU 63 N 0.00 0.00 -1.67 0.99 4.07 -1.80 -3.02 115.31 113.88 1krx h LEU 63 Ca 0.00 0.00 0.17 0.00 0.08 0.00 0.00 57.88 58.13 1krx h LEU 63 Cb 0.00 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.69 1krx h LEU 63 CO 0.00 0.00 0.51 0.00 -1.08 0.00 0.00 178.44 177.87 1krx h ALA 64 N 2.23 2.25 -0.53 1.53 0.00 -1.88 0.29 119.26 123.16 1krx h ALA 64 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1krx h ALA 64 Cb 0.52 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1krx h ALA 64 CO 0.00 -0.47 0.30 -0.07 0.00 0.00 0.00 179.25 179.01 1krx h LEU 65 N 0.31 0.64 -0.46 0.00 3.38 -1.86 -2.20 115.31 115.12 1krx h LEU 65 Ca 0.37 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 1krx h LEU 65 Cb 1.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1krx h LEU 65 CO -0.10 0.52 0.26 -0.07 0.09 0.00 0.00 178.44 179.14 1krx h LEU 66 N 0.74 0.57 -0.90 1.67 -0.00 -0.62 -1.72 115.31 115.04 1krx h LEU 66 Ca 0.19 -0.08 0.11 0.00 -0.00 0.00 0.00 57.88 58.11 1krx h LEU 66 Cb 0.01 -0.14 -0.08 0.00 -0.00 0.00 0.00 40.66 40.45 1krx h LEU 66 CO -0.03 0.48 0.53 0.50 -0.00 0.00 0.00 178.44 179.91 1krx h LYS 67 N 0.61 0.82 -0.18 1.13 3.64 -1.29 0.46 116.57 121.75 1krx h LYS 67 Ca 0.16 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 1krx h LYS 67 Cb 0.03 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1krx h LYS 67 CO -0.03 0.54 -0.29 1.96 -2.27 0.00 0.00 179.45 179.36 1krx h GLN 68 N 0.84 0.35 -0.63 1.90 1.08 -1.21 -2.61 115.11 114.83 1krx h GLN 68 Ca 0.45 -0.14 -0.06 0.00 -1.45 0.00 0.00 58.65 57.46 1krx h GLN 68 Cb 0.47 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.85 1krx h GLN 68 CO -0.27 0.62 0.17 0.82 -0.95 0.00 0.00 178.83 179.22 1krx h ILE 69 N 0.31 1.24 0.00 2.54 2.04 -0.04 0.88 117.51 124.49 1krx h ILE 69 Ca 0.04 -0.87 -0.09 0.00 1.00 0.00 0.00 64.86 64.94 1krx h ILE 69 Cb 0.68 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1krx h ILE 69 CO 0.05 0.33 -0.41 0.07 0.00 0.00 0.00 178.15 178.19 1krx h LYS 70 N 0.94 0.00 0.08 2.37 5.09 -1.26 -0.71 116.57 123.08 1krx h LYS 70 Ca 0.20 0.00 -0.30 0.00 0.09 0.00 0.00 60.65 60.65 1krx h LYS 70 Cb 0.31 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.62 1krx h LYS 70 CO -0.00 0.41 -1.58 0.37 -2.09 0.00 0.00 179.45 176.56 1krx h GLN 71 N 0.00 0.16 0.00 0.07 -0.00 -1.10 -3.38 115.11 110.86 1krx h GLN 71 Ca -0.00 -0.28 -0.18 0.00 -0.00 0.00 0.00 58.65 58.18 1krx h GLN 71 Cb 1.23 0.10 -0.03 0.00 0.00 0.00 0.00 27.48 28.78 1krx h GLN 71 CO 0.05 0.96 -1.79 0.54 0.00 0.00 0.00 178.83 178.59 1krx n ARG 72 N -3.34 0.65 -4.40 1.69 5.12 0.27 -4.98 116.66 111.67 1krx n ARG 72 Ca -0.17 0.07 -0.20 0.00 -1.93 0.00 0.00 57.85 55.62 1krx n ARG 72 Cb 1.04 -1.67 -0.10 0.00 -1.16 0.00 0.00 32.46 30.56 1krx n ARG 72 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1krx s HIS 73 N -2.94 1.85 0.00 -1.55 0.09 -0.27 -4.94 115.29 107.53 1krx s HIS 73 Ca -0.06 -0.68 0.00 0.00 -0.00 0.00 0.00 55.06 54.32 1krx s HIS 73 Cb 0.09 -1.00 0.00 0.00 -0.00 0.00 0.00 32.58 31.67 1krx s HIS 73 CO 0.84 0.28 0.17 -0.35 -0.00 0.00 0.00 174.74 175.67 1krx n PRO 74 N -0.51 0.00 -2.68 8.40 -0.04 -1.26 -4.30 135.00 134.61 1krx n PRO 74 Ca -0.06 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.32 1krx n PRO 74 Cb 0.62 -0.62 0.03 0.00 -0.04 0.00 0.00 33.50 33.50 1krx n PRO 74 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1krx n MET 75 N -0.42 1.37 -1.83 0.54 2.81 -1.24 -4.74 117.12 113.60 1krx n MET 75 Ca 0.00 -3.36 -0.42 0.00 -1.81 0.00 0.00 57.70 52.11 1krx n MET 75 Cb 0.00 -1.36 -0.03 0.00 -0.71 0.00 0.00 33.22 31.12 1krx n MET 75 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1krx s LEU 76 N -3.27 4.20 -0.11 4.03 2.96 -1.26 -4.74 118.68 120.49 1krx s LEU 76 Ca 0.28 2.28 -0.34 0.00 -0.22 0.00 0.00 54.13 56.14 1krx s LEU 76 Cb 0.43 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 43.48 1krx s LEU 76 CO 0.02 -1.16 1.92 -2.65 -1.32 0.00 0.00 176.35 173.16 1krx n PRO 77 N 7.58 2.13 -5.10 0.98 -0.02 -1.25 -4.60 135.00 134.72 1krx n PRO 77 Ca 0.20 0.77 -0.32 0.00 -2.02 0.00 0.00 63.50 62.13 1krx n PRO 77 Cb 0.43 -2.67 -0.15 0.00 -0.02 0.00 0.00 33.50 31.09 1krx n PRO 77 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1krx s VAL 78 N 4.48 2.55 -0.19 -1.45 1.01 -1.26 -0.85 120.40 124.69 1krx s VAL 78 Ca 0.94 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1krx s VAL 78 Cb -0.68 -1.95 0.04 0.00 0.00 0.00 0.00 36.38 33.79 1krx s VAL 78 CO 0.51 0.58 -0.12 -0.63 0.00 0.00 0.00 175.10 175.44 1krx s ILE 79 N -0.64 1.70 -0.17 2.22 1.01 0.33 -0.10 121.20 125.55 1krx s ILE 79 Ca 0.10 -0.99 -0.17 0.00 0.00 0.00 0.00 60.65 59.59 1krx s ILE 79 Cb -0.10 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 1krx s ILE 79 CO -0.00 0.22 0.42 -0.63 0.00 0.00 0.00 174.94 174.95 1krx s ILE 80 N 1.38 5.20 -1.80 2.92 -1.09 -1.16 -0.34 121.20 126.32 1krx s ILE 80 Ca -0.00 0.79 0.31 0.00 -2.23 0.00 0.00 60.65 59.52 1krx s ILE 80 Cb -0.16 -3.75 0.76 0.00 -1.58 0.00 0.00 42.46 37.73 1krx s ILE 80 CO -0.09 0.29 2.15 1.15 -1.23 0.00 0.00 174.94 177.22 1krx n MET 81 N 4.10 0.80 -3.78 2.79 0.00 -0.89 0.12 117.12 120.26 1krx n MET 81 Ca -0.08 -0.02 -0.13 0.00 0.00 0.00 0.00 57.70 57.47 1krx n MET 81 Cb 0.51 -1.50 -0.11 0.00 0.00 0.00 0.00 33.22 32.13 1krx n MET 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1krx s THR 82 N -2.21 0.02 -0.45 3.17 2.01 -0.56 -0.65 115.64 116.98 1krx s THR 82 Ca 0.41 -0.16 0.05 0.00 0.31 0.00 0.00 61.69 62.30 1krx s THR 82 Cb 0.21 -0.44 0.28 0.00 0.01 0.00 0.00 72.50 72.56 1krx s THR 82 CO 0.40 -0.09 1.06 0.00 -0.69 0.00 0.00 174.62 175.30 1krx n ALA 83 N 2.47 -1.50 -0.12 7.40 0.00 -1.26 -4.81 120.51 122.68 1krx n ALA 83 Ca -0.15 -1.24 -0.24 0.00 0.00 0.00 0.00 53.44 51.80 1krx n ALA 83 Cb 0.57 -1.58 -0.11 0.00 0.00 0.00 0.00 19.45 18.33 1krx n ALA 83 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1krx n HIS 84 N 1.03 0.20 -4.45 0.00 1.44 -1.26 -4.93 115.22 107.25 1krx n HIS 84 Ca 0.06 0.06 -0.22 0.00 -2.01 0.00 0.00 57.72 55.61 1krx n HIS 84 Cb 0.68 -1.02 -0.10 0.00 0.12 0.00 0.00 29.99 29.66 1krx n HIS 84 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1krx s SER 85 N -7.05 2.82 -2.05 4.39 0.01 -1.26 -4.74 113.70 105.82 1krx s SER 85 Ca -0.35 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 55.68 1krx s SER 85 Cb 0.11 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.16 1krx s SER 85 CO 0.56 -0.38 0.00 0.47 0.41 0.00 0.00 173.24 174.31 1krx n ASP 86 N -0.63 -5.68 0.23 2.44 9.92 -1.26 -4.82 116.55 116.75 1krx n ASP 86 Ca -0.05 0.30 0.14 0.00 -0.53 0.00 0.00 54.79 54.65 1krx n ASP 86 Cb 0.64 -4.89 0.57 0.00 -0.64 0.00 0.00 41.12 36.80 1krx n ASP 86 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1krx h LEU 87 N 0.00 0.00 -0.39 0.64 3.38 -1.91 -2.30 115.31 114.73 1krx h LEU 87 Ca -0.46 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.59 1krx h LEU 87 Cb 1.37 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.03 1krx h LEU 87 CO 0.61 0.00 -0.36 -2.24 0.09 0.00 0.00 178.44 176.54 1krx h ASP 88 N 0.00 -1.19 -0.00 -0.43 2.03 -2.00 0.52 116.42 115.34 1krx h ASP 88 Ca 0.09 0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.59 1krx h ASP 88 Cb 1.30 0.54 -0.00 0.00 -0.83 0.00 0.00 39.33 40.35 1krx h ASP 88 CO -0.00 -0.34 0.00 0.00 -1.03 0.00 0.00 179.24 177.87 1krx h ALA 89 N 0.63 1.06 -0.51 4.15 0.00 -1.79 -1.12 119.26 121.68 1krx h ALA 89 Ca 0.16 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1krx h ALA 89 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1krx h ALA 89 CO -0.54 -0.00 -0.11 0.00 0.00 0.00 0.00 179.25 178.60 1krx h ALA 90 N 2.00 0.84 -0.33 0.00 0.00 -0.11 -2.49 119.26 119.17 1krx h ALA 90 Ca 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1krx h ALA 90 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1krx h ALA 90 CO -0.00 0.65 0.06 0.28 0.00 0.00 0.00 179.25 180.25 1krx h VAL 91 N 0.86 1.23 -0.22 0.00 2.07 -0.90 -2.66 116.25 116.62 1krx h VAL 91 Ca 0.14 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1krx h VAL 91 Cb 0.65 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1krx h VAL 91 CO 0.05 0.26 0.07 0.77 0.02 0.00 0.00 177.57 178.74 1krx h SER 92 N 0.37 0.27 -0.92 0.57 4.64 -1.52 -2.01 113.55 114.95 1krx h SER 92 Ca 0.10 -0.02 0.03 0.00 -0.47 0.00 0.00 61.79 61.43 1krx h SER 92 Cb 0.33 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 62.30 1krx h SER 92 CO 0.00 0.27 0.61 0.00 -0.87 0.00 0.00 176.83 176.84 1krx h ALA 93 N 1.78 1.41 0.00 5.18 0.00 -1.08 0.98 119.26 127.52 1krx h ALA 93 Ca 0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1krx h ALA 93 Cb 0.09 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1krx h ALA 93 CO -0.01 0.51 -0.01 1.88 0.00 0.00 0.00 179.25 181.62 1krx h TYR 94 N 1.16 0.00 -0.02 0.00 0.05 -1.28 0.27 116.97 117.15 1krx h TYR 94 Ca 0.36 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.95 1krx h TYR 94 Cb 0.00 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.76 1krx h TYR 94 CO -0.00 0.01 -0.75 -0.56 -1.05 0.00 0.00 178.16 175.81 1krx h GLN 95 N 0.00 0.54 0.00 4.88 3.07 -0.85 -3.18 115.11 119.57 1krx h GLN 95 Ca -0.00 -0.56 0.00 0.00 0.09 0.00 0.00 58.65 58.18 1krx h GLN 95 Cb 0.09 0.15 0.00 0.00 0.08 0.00 0.00 27.48 27.81 1krx h GLN 95 CO 0.00 1.18 0.00 -0.56 0.09 0.00 0.00 178.83 179.55 1krx h GLN 96 N 0.12 0.00 0.00 0.06 -0.00 -1.15 -3.46 115.11 110.68 1krx h GLN 96 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.56 1krx h GLN 96 Cb 1.43 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.91 1krx h GLN 96 CO 0.15 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.39 1krx n GLY 97 N 0.70 1.78 3.77 0.06 0.00 -0.67 -3.68 105.19 107.15 1krx n GLY 97 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1krx n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1krx s ALA 98 N -1.78 3.50 -0.05 4.61 0.00 0.85 -3.94 121.76 124.95 1krx s ALA 98 Ca 0.00 1.31 -0.22 0.00 0.00 0.00 0.00 51.96 53.05 1krx s ALA 98 Cb 0.00 -3.50 -0.17 0.00 0.00 0.00 0.00 23.12 19.45 1krx s ALA 98 CO 0.00 -0.71 0.93 0.35 0.00 0.00 0.00 175.76 176.33 1krx h PHE 99 N 3.28 -0.17 0.00 0.00 3.57 -0.82 -3.42 116.94 119.38 1krx h PHE 99 Ca -0.49 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.00 1krx h PHE 99 Cb 1.23 0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.03 1krx h PHE 99 CO 0.55 0.29 0.00 -0.40 -2.23 0.00 0.00 178.31 176.52 1krx n ASP 100 N -4.91 0.00 -3.60 0.41 5.75 -1.15 -5.02 116.55 108.02 1krx n ASP 100 Ca -0.08 0.00 -0.22 0.00 -0.01 0.00 0.00 54.79 54.49 1krx n ASP 100 Cb 0.27 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.20 1krx n ASP 100 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1krx s TYR 101 N -3.00 -0.01 -0.05 2.11 1.51 -1.26 -2.96 117.35 113.69 1krx s TYR 101 Ca 0.00 0.07 -0.01 0.00 -1.01 0.00 0.00 57.07 56.12 1krx s TYR 101 Cb 0.00 -0.50 -0.04 0.00 -0.11 0.00 0.00 41.96 41.31 1krx s TYR 101 CO 0.00 -0.44 0.05 -0.48 -1.11 0.00 0.00 175.55 173.57 1krx s LEU 102 N 2.22 3.78 1.07 -1.29 0.05 0.32 -4.94 118.68 119.89 1krx s LEU 102 Ca 0.04 0.16 -0.18 0.00 0.05 0.00 0.00 54.13 54.20 1krx s LEU 102 Cb -0.15 -2.05 0.06 0.00 -2.05 0.00 0.00 46.19 42.01 1krx s LEU 102 CO -0.08 0.33 -0.02 -0.81 -0.55 0.00 0.00 176.35 175.21 1krx n PRO 103 N 1.64 -1.13 -0.33 1.48 -0.04 -1.26 -1.49 135.00 133.87 1krx n PRO 103 Ca -0.16 -0.31 0.23 0.00 -0.04 0.00 0.00 63.50 63.22 1krx n PRO 103 Cb 0.53 -1.67 0.44 0.00 -0.04 0.00 0.00 33.50 32.76 1krx n PRO 103 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1krx h LYS 104 N -1.84 0.04 -6.36 0.54 1.63 -1.25 -3.37 116.57 105.95 1krx h LYS 104 Ca -0.50 -0.00 -0.51 0.00 -0.85 0.00 0.00 60.65 58.78 1krx h LYS 104 Cb 1.34 -0.01 0.24 0.00 -0.60 0.00 0.00 32.23 33.20 1krx h LYS 104 CO 0.36 0.03 -1.52 -0.35 -3.45 0.00 0.00 179.45 174.52 1krx n PRO 105 N -5.33 -0.41 0.00 1.90 -0.04 -1.26 -4.78 135.00 125.08 1krx n PRO 105 Ca 0.30 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1krx n PRO 105 Cb 1.01 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 33.09 1krx n PRO 105 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1krx n PHE 106 N -3.40 0.00 -0.89 0.54 -0.00 -1.26 -4.88 117.46 107.57 1krx n PHE 106 Ca 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.47 1krx n PHE 106 Cb 0.61 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 40.08 1krx n PHE 106 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 1krx n ASP 107 N 0.00 -1.42 -0.04 -2.13 5.68 -1.26 -1.02 116.55 116.36 1krx n ASP 107 Ca 0.00 0.08 -0.12 0.00 -0.50 0.00 0.00 54.79 54.25 1krx n ASP 107 Cb 0.00 -0.32 -0.07 0.00 -1.14 0.00 0.00 41.12 39.59 1krx n ASP 107 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1krx h ILE 108 N -0.07 1.30 -0.10 2.12 5.03 -1.96 0.18 117.51 124.01 1krx h ILE 108 Ca 0.00 -1.00 0.04 0.00 -0.12 0.00 0.00 64.86 63.79 1krx h ILE 108 Cb 0.07 1.73 -0.06 0.00 -3.03 0.00 0.00 36.82 35.53 1krx h ILE 108 CO 0.00 0.29 -0.29 0.44 -0.68 0.00 0.00 178.15 177.90 1krx h ASP 109 N -0.10 -0.90 0.98 1.72 3.32 -1.98 0.98 116.42 120.45 1krx h ASP 109 Ca 0.03 0.13 -0.21 0.00 0.02 0.00 0.00 57.03 57.00 1krx h ASP 109 Cb 0.46 0.38 -0.03 0.00 0.22 0.00 0.00 39.33 40.37 1krx h ASP 109 CO 0.01 -0.34 -1.02 -0.33 -1.72 0.00 0.00 179.24 175.84 1krx h GLU 110 N -0.38 0.01 0.00 3.56 4.39 -1.13 -2.80 114.58 118.22 1krx h GLU 110 Ca 0.09 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.71 1krx h GLU 110 Cb 0.52 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1krx h GLU 110 CO -0.32 0.99 -0.42 0.00 -1.16 0.00 0.00 179.01 178.10 1krx h ALA 111 N 0.99 0.09 -0.27 3.43 0.00 0.46 -3.07 119.26 120.89 1krx h ALA 111 Ca -0.02 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 1krx h ALA 111 Cb 1.78 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1krx h ALA 111 CO 0.13 0.24 0.10 0.28 0.00 0.00 0.00 179.25 180.00 1krx h VAL 112 N -1.00 1.11 0.06 0.00 2.07 0.89 0.54 116.25 119.92 1krx h VAL 112 Ca -0.11 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1krx h VAL 112 Cb 1.02 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1krx h VAL 112 CO -0.07 0.14 -0.03 0.00 0.02 0.00 0.00 177.57 177.63 1krx h ALA 113 N 1.74 -0.07 0.00 1.67 0.00 -1.49 -1.26 119.26 119.84 1krx h ALA 113 Ca 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1krx h ALA 113 Cb 0.10 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1krx h ALA 113 CO -0.01 -0.53 -0.10 1.25 0.00 0.00 0.00 179.25 179.85 1krx h LEU 114 N -0.09 0.00 0.00 0.00 5.85 -1.28 -3.15 115.31 116.64 1krx h LEU 114 Ca -0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1krx h LEU 114 Cb 0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1krx h LEU 114 CO 0.01 0.10 -0.00 1.62 -0.34 0.00 0.00 178.44 179.83 1krx h VAL 115 N 0.00 1.65 -0.63 1.05 3.04 0.34 -3.04 116.25 118.66 1krx h VAL 115 Ca -0.00 -2.19 -0.03 0.00 -1.01 0.00 0.00 66.70 63.47 1krx h VAL 115 Cb 0.96 3.09 -0.03 0.00 -2.01 0.00 0.00 31.29 33.30 1krx h VAL 115 CO 0.01 0.55 0.28 -0.33 -1.01 0.00 0.00 177.57 177.07 1krx h GLU 116 N -0.97 0.92 0.00 4.17 5.08 -1.37 -1.38 114.58 121.03 1krx h GLU 116 Ca -0.00 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1krx h GLU 116 Cb 0.90 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1krx h GLU 116 CO 0.00 0.76 -0.06 0.00 -1.00 0.00 0.00 179.01 178.71 1krx h ARG 117 N 0.87 0.00 0.21 2.33 3.08 -1.69 -0.20 114.38 118.99 1krx h ARG 117 Ca 0.21 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 1krx h ARG 117 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1krx h ARG 117 CO -0.02 0.06 -0.10 0.00 -1.07 0.00 0.00 179.97 178.84 1krx h ALA 118 N 1.94 -0.28 -0.11 0.04 0.00 -1.14 -2.54 119.26 117.17 1krx h ALA 118 Ca -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1krx h ALA 118 Cb 0.21 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1krx h ALA 118 CO 0.01 -0.33 -0.22 0.82 0.00 0.00 0.00 179.25 179.53 1krx h ILE 119 N -0.94 1.21 -0.57 0.00 2.04 -1.25 -2.72 117.51 115.28 1krx h ILE 119 Ca -0.03 -0.96 -0.11 0.00 1.00 0.00 0.00 64.86 64.76 1krx h ILE 119 Cb 0.48 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1krx h ILE 119 CO 0.05 0.29 -0.06 -1.28 0.00 0.00 0.00 178.15 177.15 1krx h SER 120 N 0.17 1.04 0.64 1.72 0.87 -1.11 -2.64 113.55 114.23 1krx h SER 120 Ca 0.03 -0.33 -0.04 0.00 -1.23 0.00 0.00 61.79 60.21 1krx h SER 120 Cb 0.48 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1krx h SER 120 CO 0.03 1.12 -0.21 0.45 -0.53 0.00 0.00 176.83 177.70 1krx h HIS 121 N 0.93 0.00 -0.05 2.24 3.86 -1.15 0.32 115.15 121.30 1krx h HIS 121 Ca 0.15 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.32 1krx h HIS 121 Cb 0.63 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.10 1krx h HIS 121 CO 0.04 0.21 -0.14 1.88 0.86 0.00 0.00 177.93 180.78 1krx h TYR 122 N 0.00 0.24 0.09 2.45 0.05 -1.26 -3.36 116.97 115.19 1krx h TYR 122 Ca -0.00 -0.09 -0.00 0.00 0.05 0.00 0.00 58.73 58.68 1krx h TYR 122 Cb 0.58 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.28 1krx h TYR 122 CO 0.00 0.74 -0.05 -0.56 -1.05 0.00 0.00 178.16 177.25 1krx h GLN 123 N -0.34 -0.12 -0.01 4.88 3.07 -1.40 -3.52 115.11 117.67 1krx h GLN 123 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1krx h GLN 123 Cb 0.74 0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.33 1krx h GLN 123 CO 0.03 0.31 0.00 0.39 0.09 0.00 0.00 178.83 179.65