#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1krx n GLN 2 N 0.00 -2.75 0.30 3.17 3.00 -1.26 -4.08 117.38 115.76 1krx n GLN 2 Ca 0.00 2.07 0.18 0.00 -0.01 0.00 0.00 57.00 59.24 1krx n GLN 2 Cb 0.00 -3.35 0.93 0.00 0.00 0.00 0.00 30.24 27.82 1krx n GLN 2 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 1krx h ARG 3 N -1.36 0.00 -5.53 -1.09 9.65 -2.00 -3.47 114.38 110.58 1krx h ARG 3 Ca -0.09 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.72 1krx h ARG 3 Cb 1.32 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.90 1krx h ARG 3 CO 0.04 0.04 -0.46 0.41 2.80 0.00 0.00 179.97 182.81 1krx n GLY 4 N -0.76 -1.14 3.27 2.80 0.00 -1.26 -4.61 105.19 103.50 1krx n GLY 4 Ca -0.02 0.97 -0.36 0.00 0.00 0.00 0.00 46.02 46.61 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 -2.64 3.46 -0.30 -0.61 1.09 -1.26 -0.41 121.20 120.54 1krx s ILE 5 Ca 0.17 -0.89 -0.09 0.00 -1.10 0.00 0.00 60.65 58.75 1krx s ILE 5 Cb -0.04 -2.80 -0.01 0.00 -1.06 0.00 0.00 42.46 38.56 1krx s ILE 5 CO 0.78 0.10 0.12 0.54 -0.10 0.00 0.00 174.94 176.39 1krx s VAL 6 N 1.41 4.41 0.09 2.92 0.11 0.23 0.31 120.40 129.88 1krx s VAL 6 Ca 0.01 -0.45 0.05 0.00 -2.93 0.00 0.00 61.98 58.66 1krx s VAL 6 Cb -0.17 -3.23 -0.04 0.00 -1.53 0.00 0.00 36.38 31.41 1krx s VAL 6 CO -0.00 0.11 -0.01 0.26 -3.33 0.00 0.00 175.10 172.13 1krx s TRP 7 N 1.59 2.97 0.02 1.54 0.52 -0.98 -1.83 118.94 122.77 1krx s TRP 7 Ca 0.04 -0.03 0.00 0.00 0.02 0.00 0.00 56.10 56.14 1krx s TRP 7 Cb -0.17 -1.54 -0.02 0.00 -1.15 0.00 0.00 33.47 30.60 1krx s TRP 7 CO 0.05 0.47 -0.03 0.08 0.02 0.00 0.00 176.95 177.54 1krx s VAL 8 N -1.29 0.15 -0.10 4.03 1.01 0.12 0.81 120.40 125.14 1krx s VAL 8 Ca 0.25 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 1krx s VAL 8 Cb -0.12 -0.27 0.03 0.00 0.00 0.00 0.00 36.38 36.03 1krx s VAL 8 CO 0.17 -0.41 -0.01 -0.69 0.00 0.00 0.00 175.10 174.17 1krx s VAL 9 N -1.24 0.53 0.00 2.92 1.01 0.19 -0.36 120.40 123.45 1krx s VAL 9 Ca -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1krx s VAL 9 Cb -0.09 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1krx s VAL 9 CO -0.01 0.20 0.00 -0.67 0.00 0.00 0.00 175.10 174.63 1krx n ASP 10 N 5.09 0.00 0.00 3.32 -0.08 -0.85 0.15 116.55 124.18 1krx n ASP 10 Ca -0.08 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.25 1krx n ASP 10 Cb 0.50 0.00 0.27 0.00 2.34 0.00 0.00 41.12 44.23 1krx n ASP 10 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1krx n ASP 11 N 0.00 0.00 0.00 1.67 -0.08 -1.26 -4.41 116.55 112.47 1krx n ASP 11 Ca 0.00 -0.10 0.00 0.00 -1.51 0.00 0.00 54.79 53.18 1krx n ASP 11 Cb 0.00 -0.13 0.00 0.00 2.34 0.00 0.00 41.12 43.33 1krx n ASP 11 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1krx n ASP 12 N -1.13 0.00 0.00 1.67 -0.08 -1.26 -4.71 116.55 111.03 1krx n ASP 12 Ca 0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 1krx n ASP 12 Cb 0.05 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.51 1krx n ASP 12 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1krx n SER 13 N 1.62 0.00 -0.28 1.67 3.41 -1.26 0.89 113.62 119.66 1krx n SER 13 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 1krx n SER 13 Cb 0.00 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.13 1krx n SER 13 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1krx h SER 14 N 0.00 0.59 -0.33 4.04 0.87 -2.00 0.86 113.55 117.58 1krx h SER 14 Ca 0.00 0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.55 1krx h SER 14 Cb 0.00 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 1krx h SER 14 CO 0.00 0.31 -0.03 0.40 -0.53 0.00 0.00 176.83 176.98 1krx h ILE 15 N 0.70 1.24 0.30 2.23 1.08 0.17 -2.98 117.51 120.26 1krx h ILE 15 Ca 0.41 -1.00 -0.01 0.00 -0.39 0.00 0.00 64.86 63.87 1krx h ILE 15 Cb 0.46 0.95 0.00 0.00 -3.07 0.00 0.00 36.82 35.16 1krx h ILE 15 CO -0.29 0.34 -0.14 -0.09 -0.69 0.00 0.00 178.15 177.28 1krx h ARG 16 N 0.66 -0.39 -0.83 2.37 2.43 -0.93 -2.96 114.38 114.73 1krx h ARG 16 Ca 0.13 0.03 0.19 0.00 -0.81 0.00 0.00 59.98 59.51 1krx h ARG 16 Cb 0.46 0.09 -0.12 0.00 -0.42 0.00 0.00 29.97 29.98 1krx h ARG 16 CO 0.02 -0.06 0.31 2.35 -1.51 0.00 0.00 179.97 181.08 1krx h TRP 17 N -0.94 0.51 0.64 2.20 7.01 -0.93 1.22 115.95 125.67 1krx h TRP 17 Ca -0.04 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 1krx h TRP 17 Cb 0.51 -0.10 0.01 0.00 -2.10 0.00 0.00 29.16 27.47 1krx h TRP 17 CO 0.04 -0.04 -0.31 0.28 -2.79 0.00 0.00 178.44 175.62 1krx h VAL 18 N 0.37 0.02 0.00 2.65 2.07 -1.61 -3.13 116.25 116.62 1krx h VAL 18 Ca 0.50 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 1krx h VAL 18 Cb 0.89 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1krx h VAL 18 CO -0.51 0.00 -0.14 0.25 0.02 0.00 0.00 177.57 177.19 1krx h LEU 19 N -1.22 0.00 0.68 2.57 5.85 -1.32 -1.97 115.31 119.90 1krx h LEU 19 Ca -0.09 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1krx h LEU 19 Cb 0.67 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.70 1krx h LEU 19 CO 0.14 0.14 -0.32 1.05 -0.34 0.00 0.00 178.44 179.11 1krx h GLU 20 N 0.00 -0.87 0.03 1.25 4.11 0.15 -2.80 114.58 116.44 1krx h GLU 20 Ca -0.00 0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.49 1krx h GLU 20 Cb 0.65 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1krx h GLU 20 CO 0.02 -0.58 -0.01 0.00 0.07 0.00 0.00 179.01 178.50 1krx h ARG 21 N -1.23 -0.03 0.04 1.06 2.47 -1.62 -2.80 114.38 112.26 1krx h ARG 21 Ca -0.09 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.65 1krx h ARG 21 Cb 0.70 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.97 1krx h ARG 21 CO 0.15 0.65 -0.48 0.00 0.56 0.00 0.00 179.97 180.85 1krx h ALA 22 N 0.12 -0.83 -0.03 0.04 0.00 -1.52 0.54 119.26 117.59 1krx h ALA 22 Ca -0.00 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1krx h ALA 22 Cb 0.70 0.84 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1krx h ALA 22 CO 0.01 -1.05 0.02 -0.07 0.00 0.00 0.00 179.25 178.16 1krx h LEU 23 N -0.66 0.00 -1.17 0.00 3.38 -1.65 0.66 115.31 115.87 1krx h LEU 23 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1krx h LEU 23 Cb 0.71 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1krx h LEU 23 CO -0.32 0.00 0.37 0.00 0.09 0.00 0.00 178.44 178.58 1krx h ALA 24 N 1.98 1.37 0.00 1.53 0.00 -0.66 -0.33 119.26 123.16 1krx h ALA 24 Ca 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1krx h ALA 24 Cb 0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1krx h ALA 24 CO -0.00 0.52 -0.11 0.78 0.00 0.00 0.00 179.25 180.44 1krx h GLY 25 N 1.01 0.00 2.00 0.00 0.00 0.41 -0.90 103.07 105.59 1krx h GLY 25 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1krx h GLY 25 CO -0.04 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.50 1krx h ALA 26 N 1.89 1.00 0.00 3.60 0.00 -0.97 -3.47 119.26 121.32 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 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 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 0.87 1.52 3.44 0.00 0.00 -0.34 -5.12 105.19 105.57 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 2.17 -0.43 0.99 1.02 -1.16 -4.75 118.68 116.53 1krx s LEU 28 Ca 0.00 -1.37 -0.11 0.00 0.02 0.00 0.00 54.13 52.67 1krx s LEU 28 Cb 0.00 -0.37 0.07 0.00 0.02 0.00 0.00 46.19 45.91 1krx s LEU 28 CO 0.00 -0.60 0.29 -0.89 0.02 0.00 0.00 176.35 175.17 1krx s THR 29 N -3.31 4.56 -0.36 5.49 2.01 0.45 -3.82 115.64 120.66 1krx s THR 29 Ca 0.36 -1.23 -0.13 0.00 0.31 0.00 0.00 61.69 61.01 1krx s THR 29 Cb 0.09 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.87 1krx s THR 29 CO 0.15 -0.49 0.24 0.00 -0.69 0.00 0.00 174.62 173.83 1krx s THR 31 N 1.66 2.09 0.12 0.00 -1.32 -0.76 -4.38 115.64 113.05 1krx s THR 31 Ca 0.05 -1.87 0.07 0.00 -1.21 0.00 0.00 61.69 58.73 1krx s THR 31 Cb -0.18 -1.93 -0.04 0.00 -1.51 0.00 0.00 72.50 68.84 1krx s THR 31 CO 0.09 -0.12 -0.18 0.42 -2.21 0.00 0.00 174.62 172.62 1krx s THR 32 N -1.56 1.58 0.37 5.08 -4.23 -1.26 0.16 115.64 115.77 1krx s THR 32 Ca 0.16 -1.66 0.03 0.00 -1.18 0.00 0.00 61.69 59.05 1krx s THR 32 Cb -0.08 -1.57 -0.04 0.00 1.34 0.00 0.00 72.50 72.15 1krx s THR 32 CO 0.07 -0.23 0.09 -0.36 -0.54 0.00 0.00 174.62 173.65 1krx s PHE 33 N -1.64 1.84 0.00 3.99 0.40 0.51 -4.95 117.98 118.14 1krx s PHE 33 Ca 0.08 -1.13 0.00 0.00 -0.60 0.00 0.00 56.93 55.29 1krx s PHE 33 Cb -0.08 -1.21 0.00 0.00 0.51 0.00 0.00 43.02 42.25 1krx s PHE 33 CO 0.04 -0.16 0.00 -0.85 0.70 0.00 0.00 175.22 174.96 1krx n GLU 34 N -0.79 0.00 0.00 0.44 0.28 -1.26 -2.57 120.64 116.74 1krx n GLU 34 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 1krx n GLU 34 Cb 0.66 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.53 1krx n GLU 34 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1krx n ASN 35 N 0.00 0.00 0.00 -1.84 3.02 -1.26 -2.01 115.26 113.16 1krx n ASN 35 Ca 0.00 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.89 1krx n ASN 35 Cb 0.00 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 1krx n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1krx n GLY 36 N 1.92 0.03 0.20 7.41 0.00 -1.26 -3.65 105.19 109.84 1krx n GLY 36 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 0.14 0.16 1.61 -0.26 -1.95 -3.18 115.58 112.10 1krx h ASN 37 Ca 0.00 -0.04 0.02 0.00 -0.56 0.00 0.00 56.30 55.71 1krx h ASN 37 Cb 0.00 -0.04 -0.04 0.00 -1.06 0.00 0.00 38.32 37.18 1krx h ASN 37 CO 0.00 0.46 -0.42 -0.08 -1.06 0.00 0.00 177.43 176.32 1krx h GLU 38 N 0.12 -0.66 -0.86 0.81 4.22 -1.96 -2.07 114.58 114.19 1krx h GLU 38 Ca 0.02 0.04 0.17 0.00 0.08 0.00 0.00 59.36 59.67 1krx h GLU 38 Cb 0.63 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 29.93 1krx h GLU 38 CO 0.05 -0.44 0.42 0.28 -2.18 0.00 0.00 179.01 177.13 1krx h VAL 39 N -0.68 0.65 -0.73 0.32 2.07 -1.93 -0.27 116.25 115.67 1krx h VAL 39 Ca 0.01 -0.19 0.13 0.00 0.82 0.00 0.00 66.70 67.48 1krx h VAL 39 Cb 0.69 0.06 -0.09 0.00 -1.52 0.00 0.00 31.29 30.43 1krx h VAL 39 CO -0.22 0.10 0.29 -0.07 0.02 0.00 0.00 177.57 177.68 1krx h LEU 40 N 0.55 0.26 0.03 2.57 3.38 -1.43 0.70 115.31 121.37 1krx h LEU 40 Ca 0.49 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.56 1krx h LEU 40 Cb 0.76 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1krx h LEU 40 CO -0.41 0.11 -0.02 0.00 0.09 0.00 0.00 178.44 178.21 1krx h ALA 41 N 1.53 -0.04 0.00 1.53 0.00 -0.73 -2.63 119.26 118.92 1krx h ALA 41 Ca 0.40 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1krx h ALA 41 Cb 0.59 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1krx h ALA 41 CO -0.39 -0.45 -0.20 0.00 0.00 0.00 0.00 179.25 178.21 1krx h ALA 42 N 0.77 1.59 0.00 0.00 0.00 -0.88 -2.02 119.26 118.72 1krx h ALA 42 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1krx h ALA 42 Cb 0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1krx h ALA 42 CO 0.01 0.25 -0.16 -0.07 0.00 0.00 0.00 179.25 179.28 1krx h LEU 43 N 0.00 0.00 -1.57 0.00 3.38 0.72 -2.70 115.31 115.14 1krx h LEU 43 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1krx h LEU 43 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1krx h LEU 43 CO 0.03 0.16 0.23 0.00 0.09 0.00 0.00 178.44 178.94 1krx h ALA 44 N 1.84 1.19 0.00 1.53 0.00 -1.08 -1.07 119.26 121.66 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 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1krx h ALA 44 CO 0.02 -0.19 0.00 0.43 0.00 0.00 0.00 179.25 179.51 1krx n SER 45 N -2.48 0.43 -3.60 0.00 7.64 -1.03 -5.08 113.62 109.50 1krx n SER 45 Ca -0.02 -0.75 -0.12 0.00 1.01 0.00 0.00 58.87 59.00 1krx n SER 45 Cb 0.26 0.28 -0.05 0.00 -1.01 0.00 0.00 64.21 63.70 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 -0.28 1.05 -0.16 1.43 2.20 -0.41 -5.15 119.74 118.41 1krx s LYS 46 Ca 0.00 -0.48 -0.04 0.00 -0.36 0.00 0.00 55.97 55.09 1krx s LYS 46 Cb 0.00 0.47 0.06 0.00 -1.51 0.00 0.00 37.83 36.85 1krx s LYS 46 CO 0.00 -0.40 0.08 0.99 -0.36 0.00 0.00 175.35 175.66 1krx s THR 47 N -3.13 -0.02 0.67 3.43 2.01 -1.26 -4.11 115.64 113.23 1krx s THR 47 Ca -0.01 -0.16 -0.14 0.00 0.31 0.00 0.00 61.69 61.69 1krx s THR 47 Cb 0.00 -0.59 0.00 0.00 0.01 0.00 0.00 72.50 71.93 1krx s THR 47 CO -0.07 -0.23 1.08 -2.16 -0.69 0.00 0.00 174.62 172.55 1krx s PRO 48 N 2.11 2.84 0.37 4.92 0.04 -1.26 -4.91 135.00 139.11 1krx s PRO 48 Ca 0.02 1.23 0.20 0.00 0.04 0.00 0.00 61.00 62.49 1krx s PRO 48 Cb -0.16 -1.97 0.53 0.00 0.04 0.00 0.00 34.50 32.95 1krx s PRO 48 CO -0.08 -1.20 1.66 -0.44 0.04 0.00 0.00 177.00 176.98 1krx h ASP 49 N -0.23 0.00 -2.27 6.66 3.32 -0.51 -3.41 116.42 119.99 1krx h ASP 49 Ca -0.46 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.18 1krx h ASP 49 Cb 1.23 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.43 1krx h ASP 49 CO 0.55 0.33 -0.71 0.54 -1.72 0.00 0.00 179.24 178.22 1krx s VAL 50 N -3.36 -0.23 0.08 -1.35 0.11 -1.14 -4.64 120.40 109.87 1krx s VAL 50 Ca 0.02 -0.90 -0.22 0.00 -2.93 0.00 0.00 61.98 57.95 1krx s VAL 50 Cb 0.09 -0.91 -0.07 0.00 -1.53 0.00 0.00 36.38 33.96 1krx s VAL 50 CO 0.68 -0.64 0.67 -0.22 -3.33 0.00 0.00 175.10 172.27 1krx s LEU 51 N 1.81 4.52 -0.08 2.54 2.96 -0.52 -2.32 118.68 127.59 1krx s LEU 51 Ca 0.13 1.40 0.04 0.00 -0.22 0.00 0.00 54.13 55.48 1krx s LEU 51 Cb -0.16 -3.08 0.00 0.00 0.50 0.00 0.00 46.19 43.45 1krx s LEU 51 CO -0.19 0.19 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.07 1krx s LEU 52 N -0.80 1.95 0.05 -0.68 1.43 0.24 0.71 118.68 121.59 1krx s LEU 52 Ca 0.33 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 53.01 1krx s LEU 52 Cb -0.21 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.78 1krx s LEU 52 CO 0.22 0.14 -0.13 -0.44 0.23 0.00 0.00 176.35 176.36 1krx s SER 53 N 0.33 1.53 0.45 2.29 0.01 0.15 0.52 113.70 118.99 1krx s SER 53 Ca -0.14 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.59 1krx s SER 53 Cb -0.16 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.01 1krx s SER 53 CO 0.06 -0.05 0.00 -0.67 0.41 0.00 0.00 173.24 173.00 1krx n ASP 54 N 1.59 -0.16 -2.70 2.44 2.03 0.39 -2.69 116.55 117.45 1krx n ASP 54 Ca -0.20 -0.37 -0.04 0.00 0.52 0.00 0.00 54.79 54.70 1krx n ASP 54 Cb 0.55 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.98 1krx n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1krx n ILE 55 N -1.08 0.00 0.00 5.18 3.06 -1.26 -4.63 119.36 120.64 1krx n ILE 55 Ca 0.00 -0.61 0.00 0.00 -2.50 0.00 0.00 62.75 59.64 1krx n ILE 55 Cb 0.00 0.87 0.00 0.00 0.54 0.00 0.00 39.64 41.05 1krx n ILE 55 CO 0.00 0.00 0.00 -2.11 -2.50 0.00 0.00 176.55 171.94 1krx n ARG 56 N 2.39 0.00 0.09 9.51 1.85 -0.88 -4.32 116.66 125.29 1krx n ARG 56 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 1krx n ARG 56 Cb 0.64 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.05 1krx n ARG 56 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 1krx n MET 57 N 0.00 0.00 0.00 2.89 1.56 -0.79 -5.02 117.12 115.76 1krx n MET 57 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1krx n MET 57 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 1krx n MET 57 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1krx n PRO 58 N -2.87 -0.73 0.33 2.12 -0.04 -1.17 -4.82 135.00 127.83 1krx n PRO 58 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 1krx n PRO 58 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 1krx n PRO 58 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1krx h GLY 59 N -0.62 -0.88 -4.19 0.55 0.00 -2.01 -3.16 103.07 92.76 1krx h GLY 59 Ca 0.00 0.33 -0.35 0.00 0.00 0.00 0.00 47.33 47.31 1krx h GLY 59 CO 0.00 -0.32 0.08 -0.13 0.00 0.00 0.00 176.54 176.17 1krx n MET 60 N -5.39 2.15 0.00 4.80 0.00 -1.26 -4.91 117.12 112.51 1krx n MET 60 Ca -0.12 -1.68 0.00 0.00 -0.00 0.00 0.00 57.70 55.89 1krx n MET 60 Cb 0.36 -2.00 0.00 0.00 0.00 0.00 0.00 33.22 31.58 1krx n MET 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1krx n ASP 61 N 1.48 0.00 0.00 6.12 8.00 -1.19 -0.86 116.55 130.10 1krx n ASP 61 Ca 0.43 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.93 1krx n ASP 61 Cb 0.69 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.79 1krx n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1krx n GLY 62 N 0.00 0.28 0.07 0.44 0.00 -1.26 -1.88 105.19 102.84 1krx n GLY 62 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1krx n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1krx n LEU 63 N -0.08 0.46 0.18 0.99 7.94 -0.04 -3.52 117.00 122.93 1krx n LEU 63 Ca 0.00 0.57 -0.07 0.00 -1.11 0.00 0.00 56.01 55.40 1krx n LEU 63 Cb 0.00 -0.47 -0.03 0.00 0.53 0.00 0.00 43.42 43.45 1krx n LEU 63 CO 0.00 -0.27 0.35 0.00 -1.11 0.00 0.00 177.39 176.36 1krx h ALA 64 N 2.54 -0.80 -0.20 1.96 0.00 -1.82 -3.00 119.26 117.94 1krx h ALA 64 Ca 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1krx h ALA 64 Cb 0.49 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1krx h ALA 64 CO 0.00 -0.76 0.39 1.37 0.00 0.00 0.00 179.25 180.24 1krx h LEU 65 N -0.64 0.00 -0.31 0.00 -0.00 -1.89 0.22 115.31 112.70 1krx h LEU 65 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.82 1krx h LEU 65 Cb 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.01 1krx h LEU 65 CO 0.08 0.00 0.15 0.25 -0.00 0.00 0.00 178.44 178.92 1krx h LEU 66 N 0.00 0.40 -1.02 0.17 5.85 -1.57 -1.46 115.31 117.67 1krx h LEU 66 Ca 0.10 -0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.80 1krx h LEU 66 Cb 0.87 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.72 1krx h LEU 66 CO -0.00 0.40 0.64 0.11 -0.34 0.00 0.00 178.44 179.25 1krx h LYS 67 N 0.36 1.02 -0.31 1.25 1.57 -0.42 0.24 116.57 120.28 1krx h LYS 67 Ca 0.11 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1krx h LYS 67 Cb 0.10 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1krx h LYS 67 CO -0.01 0.68 0.16 1.96 -0.57 0.00 0.00 179.45 181.67 1krx h GLN 68 N 1.05 0.42 -0.22 3.15 1.08 -1.18 -2.69 115.11 116.72 1krx h GLN 68 Ca 0.47 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.64 1krx h GLN 68 Cb 0.37 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 1krx h GLN 68 CO -0.23 0.32 0.12 0.82 -0.95 0.00 0.00 178.83 178.91 1krx h ILE 69 N 0.43 1.01 0.00 2.54 2.04 0.46 0.43 117.51 124.42 1krx h ILE 69 Ca 0.11 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 1krx h ILE 69 Cb 0.02 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1krx h ILE 69 CO -0.02 0.05 -0.21 0.07 0.00 0.00 0.00 178.15 178.04 1krx h LYS 70 N 0.25 0.00 0.03 2.37 5.09 -1.31 1.30 116.57 124.30 1krx h LYS 70 Ca 0.09 0.00 -0.23 0.00 0.09 0.00 0.00 60.65 60.60 1krx h LYS 70 Cb 0.01 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.31 1krx h LYS 70 CO -0.05 0.21 -1.11 1.96 -2.09 0.00 0.00 179.45 178.37 1krx h GLN 71 N 0.00 0.05 0.00 0.07 4.20 -1.20 -3.39 115.11 114.85 1krx h GLN 71 Ca -0.00 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 1krx h GLN 71 Cb 0.37 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1krx h GLN 71 CO 0.03 1.01 -0.73 0.00 -0.67 0.00 0.00 178.83 178.47 1krx h ARG 72 N 0.01 0.00 -6.64 1.46 2.47 0.47 -3.48 114.38 108.68 1krx h ARG 72 Ca -0.06 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.16 1krx h ARG 72 Cb 1.83 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 30.16 1krx h ARG 72 CO 0.14 0.32 -0.07 -1.01 0.56 0.00 0.00 179.97 179.91 1krx s HIS 73 N -2.26 3.50 -0.00 3.04 0.09 0.44 -5.00 115.29 115.11 1krx s HIS 73 Ca -0.19 0.65 -0.23 0.00 -0.00 0.00 0.00 55.06 55.28 1krx s HIS 73 Cb 0.03 -2.13 -0.13 0.00 -0.00 0.00 0.00 32.58 30.35 1krx s HIS 73 CO 0.33 0.03 0.99 -1.00 -0.00 0.00 0.00 174.74 175.09 1krx h PRO 74 N 1.06 -0.74 0.00 8.40 0.13 -1.83 -3.39 132.00 135.63 1krx h PRO 74 Ca -0.48 0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 64.58 1krx h PRO 74 Cb 1.20 0.17 -0.15 0.00 0.13 0.00 0.00 31.00 32.34 1krx h PRO 74 CO 0.64 -0.46 -0.38 -1.33 -0.23 0.00 0.00 178.00 176.24 1krx n MET 75 N -5.29 0.00 -1.56 0.86 2.81 -1.25 -4.68 117.12 108.00 1krx n MET 75 Ca -0.10 -1.06 -0.47 0.00 -1.81 0.00 0.00 57.70 54.26 1krx n MET 75 Cb 0.32 0.37 -0.05 0.00 -0.71 0.00 0.00 33.22 33.15 1krx n MET 75 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1krx n LEU 76 N 0.07 2.93 -4.63 4.03 0.00 -1.26 -4.27 117.00 113.87 1krx n LEU 76 Ca -0.20 0.44 -0.43 0.00 0.00 0.00 0.00 56.01 55.82 1krx n LEU 76 Cb 0.75 -1.42 -0.03 0.00 0.00 0.00 0.00 43.42 42.72 1krx n LEU 76 CO -0.11 -0.56 1.65 -2.84 0.00 0.00 0.00 177.39 175.53 1krx s PRO 77 N 5.83 3.63 0.08 1.96 0.02 -1.25 -3.82 135.00 141.45 1krx s PRO 77 Ca 1.02 2.12 -0.00 0.00 0.02 0.00 0.00 61.00 64.16 1krx s PRO 77 Cb -0.59 -4.22 -0.04 0.00 0.02 0.00 0.00 34.50 29.67 1krx s PRO 77 CO 0.43 -1.53 0.24 0.08 -0.33 0.00 0.00 177.00 175.90 1krx s VAL 78 N 6.26 5.36 -0.14 3.83 1.01 -1.22 -1.44 120.40 134.05 1krx s VAL 78 Ca 0.89 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 62.45 1krx s VAL 78 Cb -0.34 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.43 1krx s VAL 78 CO 0.36 0.09 0.00 -0.63 0.00 0.00 0.00 175.10 174.92 1krx s ILE 79 N -1.57 0.59 0.10 2.22 1.09 0.22 -0.97 121.20 122.88 1krx s ILE 79 Ca 0.36 -0.28 -0.03 0.00 -1.10 0.00 0.00 60.65 59.59 1krx s ILE 79 Cb -0.13 -0.88 -0.05 0.00 -1.06 0.00 0.00 42.46 40.35 1krx s ILE 79 CO 0.28 0.07 0.31 -0.63 -0.10 0.00 0.00 174.94 174.86 1krx s ILE 80 N 1.86 5.26 -0.31 2.92 -1.09 -1.08 0.34 121.20 129.10 1krx s ILE 80 Ca 0.02 -0.09 0.20 0.00 -2.23 0.00 0.00 60.65 58.55 1krx s ILE 80 Cb -0.15 -3.62 0.18 0.00 -1.58 0.00 0.00 42.46 37.30 1krx s ILE 80 CO -0.07 0.11 1.43 0.00 -1.23 0.00 0.00 174.94 175.19 1krx h MET 81 N 3.05 0.00 -3.02 2.79 -0.00 -1.56 0.89 114.93 117.09 1krx h MET 81 Ca -0.46 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.09 1krx h MET 81 Cb 1.17 0.00 -0.25 0.00 -0.00 0.00 0.00 31.60 32.51 1krx h MET 81 CO 0.73 0.16 -0.38 0.99 -0.00 0.00 0.00 176.91 178.41 1krx s THR 82 N -3.14 -0.00 -0.39 -0.10 2.01 -1.21 -0.45 115.64 112.36 1krx s THR 82 Ca 0.04 0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.10 1krx s THR 82 Cb 0.07 -0.41 0.45 0.00 0.01 0.00 0.00 72.50 72.61 1krx s THR 82 CO 0.72 0.00 1.36 0.00 -0.69 0.00 0.00 174.62 176.01 1krx n ALA 83 N 2.98 5.32 -1.20 7.40 0.00 -1.26 -4.76 120.51 128.99 1krx n ALA 83 Ca -0.13 -3.81 -0.25 0.00 0.00 0.00 0.00 53.44 49.25 1krx n ALA 83 Cb 0.58 -0.67 -0.10 0.00 0.00 0.00 0.00 19.45 19.26 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 -0.72 1.19 -2.70 0.00 1.44 -1.26 -4.70 115.22 108.47 1krx n HIS 84 Ca 0.47 -2.23 0.00 0.00 -2.01 0.00 0.00 57.72 53.95 1krx n HIS 84 Cb 0.85 -1.96 0.00 0.00 0.12 0.00 0.00 29.99 29.01 1krx n HIS 84 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1krx n SER 85 N 2.79 0.00 -4.57 4.39 3.41 -1.26 -4.98 113.62 113.40 1krx n SER 85 Ca 0.59 -0.66 -0.15 0.00 -0.26 0.00 0.00 58.87 58.38 1krx n SER 85 Cb 0.59 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.45 1krx n SER 85 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1krx s ASP 86 N 0.01 3.79 0.63 4.04 -1.08 -1.26 -4.73 116.67 118.07 1krx s ASP 86 Ca 0.00 -0.54 0.24 0.00 -0.52 0.00 0.00 52.55 51.73 1krx s ASP 86 Cb 0.00 -2.57 1.22 0.00 -1.46 0.00 0.00 42.92 40.11 1krx s ASP 86 CO 0.00 -4.20 1.68 -0.07 0.52 0.00 0.00 175.17 173.10 1krx h LEU 87 N 22.02 0.00 -0.77 -1.34 3.38 -1.97 -1.84 115.31 134.79 1krx h LEU 87 Ca 0.02 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.17 1krx h LEU 87 Cb 1.00 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.63 1krx h LEU 87 CO 1.03 0.00 0.15 -0.78 0.09 0.00 0.00 178.44 178.93 1krx h ASP 88 N 0.00 -0.07 1.17 -0.43 3.58 -2.00 0.60 116.42 119.27 1krx h ASP 88 Ca 0.13 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.75 1krx h ASP 88 Cb 1.34 0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.63 1krx h ASP 88 CO -0.00 -0.09 0.00 0.00 -2.88 0.00 0.00 179.24 176.27 1krx h ALA 89 N 1.67 1.00 -0.01 -0.78 0.00 -1.71 -2.80 119.26 116.64 1krx h ALA 89 Ca 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.25 1krx h ALA 89 Cb 0.79 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.59 1krx h ALA 89 CO -0.57 0.00 -0.39 0.00 0.00 0.00 0.00 179.25 178.29 1krx h ALA 90 N 2.03 0.06 -0.41 0.00 0.00 0.04 -1.80 119.26 119.18 1krx h ALA 90 Ca 0.00 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.28 1krx h ALA 90 Cb 0.59 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1krx h ALA 90 CO 0.00 0.19 -0.25 0.28 0.00 0.00 0.00 179.25 179.48 1krx h VAL 91 N -0.32 1.27 0.00 0.00 2.07 -1.31 -2.28 116.25 115.67 1krx h VAL 91 Ca -0.05 -1.39 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 1krx h VAL 91 Cb 1.12 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1krx h VAL 91 CO 0.08 0.47 -0.17 0.77 0.02 0.00 0.00 177.57 178.73 1krx h SER 92 N 0.73 0.00 -0.55 0.57 4.64 -1.58 -2.81 113.55 114.55 1krx h SER 92 Ca 0.09 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.37 1krx h SER 92 Cb 0.79 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 1krx h SER 92 CO 0.07 0.17 0.18 0.00 -0.87 0.00 0.00 176.83 176.38 1krx h ALA 93 N 1.83 0.72 0.00 5.18 0.00 -0.72 -0.19 119.26 126.08 1krx h ALA 93 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1krx h ALA 93 Cb 0.63 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1krx h ALA 93 CO 0.02 0.37 -0.14 1.88 0.00 0.00 0.00 179.25 181.38 1krx h TYR 94 N 0.76 0.00 -0.03 0.00 0.05 -1.39 1.42 116.97 117.78 1krx h TYR 94 Ca 0.18 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.76 1krx h TYR 94 Cb 0.26 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.00 1krx h TYR 94 CO 0.02 0.14 -0.84 0.37 -1.05 0.00 0.00 178.16 176.80 1krx h GLN 95 N 0.00 0.36 -0.01 4.88 -0.00 -1.21 -3.20 115.11 115.93 1krx h GLN 95 Ca -0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 58.65 58.30 1krx h GLN 95 Cb 0.30 0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.87 1krx h GLN 95 CO 0.02 1.01 -0.49 0.00 0.00 0.00 0.00 178.83 179.38 1krx n GLN 96 N -3.77 1.07 0.00 1.69 10.64 -0.19 -4.94 117.38 121.88 1krx n GLN 96 Ca -0.05 -0.86 0.00 0.00 -1.83 0.00 0.00 57.00 54.26 1krx n GLN 96 Cb 0.77 -1.48 0.00 0.00 -0.86 0.00 0.00 30.24 28.67 1krx n GLN 96 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1krx n GLY 97 N 1.42 0.50 3.64 2.61 0.00 0.47 -3.87 105.19 109.96 1krx n GLY 97 Ca 0.09 -0.25 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 -2.12 -0.08 4.61 0.00 -0.29 -3.45 121.76 120.43 1krx s ALA 98 Ca 0.00 2.05 -0.19 0.00 0.00 0.00 0.00 51.96 53.82 1krx s ALA 98 Cb 0.00 -1.58 -0.16 0.00 0.00 0.00 0.00 23.12 21.39 1krx s ALA 98 CO 0.00 -0.29 0.70 0.35 0.00 0.00 0.00 175.76 176.52 1krx h PHE 99 N 5.17 -0.11 0.00 0.00 3.57 -1.27 -3.30 116.94 121.01 1krx h PHE 99 Ca -0.28 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.22 1krx h PHE 99 Cb 1.19 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1krx h PHE 99 CO 0.21 0.39 0.00 -3.47 -2.23 0.00 0.00 178.31 173.21 1krx n ASP 100 N -4.82 0.00 -3.99 0.41 2.03 -1.13 -4.95 116.55 104.11 1krx n ASP 100 Ca -0.07 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.95 1krx n ASP 100 Cb 0.27 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.51 1krx n ASP 100 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1krx s TYR 101 N -3.00 1.98 -0.13 -0.67 1.51 -1.26 -2.62 117.35 113.15 1krx s TYR 101 Ca 0.00 -1.09 -0.06 0.00 -1.01 0.00 0.00 57.07 54.91 1krx s TYR 101 Cb 0.00 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 1krx s TYR 101 CO 0.00 -0.63 0.09 -1.17 -1.11 0.00 0.00 175.55 172.73 1krx s LEU 102 N 1.55 4.04 1.07 -1.29 2.96 0.31 -4.94 118.68 122.38 1krx s LEU 102 Ca 0.05 0.28 -0.20 0.00 -0.22 0.00 0.00 54.13 54.04 1krx s LEU 102 Cb -0.13 -1.99 0.03 0.00 0.50 0.00 0.00 46.19 44.60 1krx s LEU 102 CO -0.10 0.33 -0.28 -0.81 -1.32 0.00 0.00 176.35 174.17 1krx n PRO 103 N 2.53 -1.04 -0.33 0.98 -0.04 -1.23 -3.30 135.00 132.56 1krx n PRO 103 Ca -0.18 -0.29 0.05 0.00 -0.04 0.00 0.00 63.50 63.04 1krx n PRO 103 Cb 0.54 -1.55 0.13 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.74 0.00 -6.45 0.54 3.11 -1.13 -3.41 116.57 107.48 1krx h LYS 104 Ca -0.49 -0.00 -0.52 0.00 -2.81 0.00 0.00 60.65 56.83 1krx h LYS 104 Cb 1.35 -0.00 0.23 0.00 -1.00 0.00 0.00 32.23 32.82 1krx h LYS 104 CO 0.34 0.00 -1.29 -2.30 -2.81 0.00 0.00 179.45 173.39 1krx n PRO 105 N -5.59 -0.42 0.00 1.90 -0.02 -1.26 -4.89 135.00 124.72 1krx n PRO 105 Ca 0.14 -0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1krx n PRO 105 Cb 0.47 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 1krx n PRO 105 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1krx n PHE 106 N -3.43 0.00 -0.67 6.00 3.72 -1.26 -4.93 117.46 116.89 1krx n PHE 106 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1krx n PHE 106 Cb 0.58 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 1krx n PHE 106 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1krx n ASP 107 N -0.28 -0.74 -0.05 4.37 5.68 -1.26 -0.09 116.55 124.19 1krx n ASP 107 Ca 0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.17 1krx n ASP 107 Cb 0.00 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 39.91 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 0.00 1.30 0.04 2.12 5.03 -1.96 0.12 117.51 124.16 1krx h ILE 108 Ca 0.00 -1.03 0.03 0.00 -0.12 0.00 0.00 64.86 63.74 1krx h ILE 108 Cb 0.00 1.69 -0.05 0.00 -3.03 0.00 0.00 36.82 35.43 1krx h ILE 108 CO 0.00 0.30 -0.43 -0.78 -0.68 0.00 0.00 178.15 176.56 1krx h ASP 109 N -0.04 -1.28 1.16 1.72 1.82 -1.98 0.86 116.42 118.68 1krx h ASP 109 Ca 0.03 0.15 -0.15 0.00 -0.39 0.00 0.00 57.03 56.67 1krx h ASP 109 Cb 0.49 0.49 -0.02 0.00 0.68 0.00 0.00 39.33 40.97 1krx h ASP 109 CO 0.02 -0.47 -0.74 -0.33 -1.61 0.00 0.00 179.24 176.11 1krx h GLU 110 N -0.61 0.00 0.00 0.28 4.39 -0.56 -2.74 114.58 115.34 1krx h GLU 110 Ca 0.04 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1krx h GLU 110 Cb 0.67 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1krx h GLU 110 CO -0.29 0.74 -0.39 0.00 -1.16 0.00 0.00 179.01 177.90 1krx h ALA 111 N 1.26 0.06 -0.49 3.43 0.00 0.73 -3.06 119.26 121.20 1krx h ALA 111 Ca -0.01 -0.53 0.10 0.00 0.00 0.00 0.00 54.91 54.47 1krx h ALA 111 Cb 1.52 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 1krx h ALA 111 CO 0.10 0.27 0.34 0.28 0.00 0.00 0.00 179.25 180.23 1krx h VAL 112 N -1.00 0.87 0.24 0.00 2.07 0.63 0.59 116.25 119.65 1krx h VAL 112 Ca -0.08 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1krx h VAL 112 Cb 0.70 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1krx h VAL 112 CO -0.05 0.04 -0.12 0.00 0.02 0.00 0.00 177.57 177.47 1krx h ALA 113 N 1.75 -0.32 0.00 1.67 0.00 -1.50 -1.45 119.26 119.41 1krx h ALA 113 Ca 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1krx h ALA 113 Cb 0.58 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1krx h ALA 113 CO -0.04 -0.67 -0.11 1.25 0.00 0.00 0.00 179.25 179.68 1krx h LEU 114 N -0.35 0.00 0.01 0.00 5.85 -0.98 -2.78 115.31 117.05 1krx h LEU 114 Ca -0.03 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1krx h LEU 114 Cb 0.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1krx h LEU 114 CO 0.05 0.11 -0.00 1.62 -0.34 0.00 0.00 178.44 179.88 1krx h VAL 115 N 0.00 1.44 -0.26 1.05 3.04 0.37 -2.60 116.25 119.29 1krx h VAL 115 Ca -0.00 -2.02 -0.03 0.00 -1.01 0.00 0.00 66.70 63.64 1krx h VAL 115 Cb 0.81 2.70 -0.01 0.00 -2.01 0.00 0.00 31.29 32.78 1krx h VAL 115 CO 0.01 0.48 0.07 -0.33 -1.01 0.00 0.00 177.57 176.79 1krx h GLU 116 N -0.97 0.42 0.00 4.17 5.08 -1.38 -1.75 114.58 120.15 1krx h GLU 116 Ca -0.00 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1krx h GLU 116 Cb 0.79 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1krx h GLU 116 CO 0.00 0.51 -0.10 0.00 -1.00 0.00 0.00 179.01 178.43 1krx h ARG 117 N 0.26 0.00 0.20 2.33 3.08 -1.65 0.10 114.38 118.70 1krx h ARG 117 Ca 0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1krx h ARG 117 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1krx h ARG 117 CO 0.00 0.10 -0.10 0.00 -1.07 0.00 0.00 179.97 178.90 1krx h ALA 118 N 1.90 -0.27 -0.11 0.04 0.00 -1.02 -1.63 119.26 118.17 1krx h ALA 118 Ca -0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1krx h ALA 118 Cb 0.20 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1krx h ALA 118 CO 0.01 -0.37 -0.33 0.82 0.00 0.00 0.00 179.25 179.38 1krx h ILE 119 N -0.85 1.27 -0.41 0.00 2.04 -1.16 -2.93 117.51 115.48 1krx h ILE 119 Ca -0.03 -1.31 -0.14 0.00 1.00 0.00 0.00 64.86 64.38 1krx h ILE 119 Cb 0.51 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1krx h ILE 119 CO 0.05 0.39 -0.30 0.28 0.00 0.00 0.00 178.15 178.57 1krx h SER 120 N 0.19 0.97 -0.16 1.72 0.02 -0.86 -1.99 113.55 113.44 1krx h SER 120 Ca 0.02 -0.44 0.05 0.00 -0.84 0.00 0.00 61.79 60.58 1krx h SER 120 Cb 0.69 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1krx h SER 120 CO 0.05 1.20 0.14 0.45 -1.14 0.00 0.00 176.83 177.54 1krx h HIS 121 N 0.75 0.00 0.00 3.45 3.86 -1.10 -2.72 115.15 119.39 1krx h HIS 121 Ca 0.08 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.21 1krx h HIS 121 Cb 0.88 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.34 1krx h HIS 121 CO 0.06 0.00 -0.47 1.88 0.86 0.00 0.00 177.93 180.26 1krx h TYR 122 N 0.00 0.00 -4.16 2.45 0.05 -1.49 -3.47 116.97 110.35 1krx h TYR 122 Ca 0.07 0.00 -0.45 0.00 0.05 0.00 0.00 58.73 58.40 1krx h TYR 122 Cb 0.36 0.00 0.14 0.00 1.01 0.00 0.00 36.73 38.24 1krx h TYR 122 CO 0.00 0.89 0.33 -1.14 -1.05 0.00 0.00 178.16 177.19 1krx s GLN 123 N -2.17 0.85 0.00 4.88 0.74 -0.77 -5.14 119.66 118.05 1krx s GLN 123 Ca -0.19 0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.24 1krx s GLN 123 Cb 0.01 -1.83 0.00 0.00 1.10 0.00 0.00 33.01 32.29 1krx s GLN 123 CO 0.50 -2.34 0.00 0.39 -0.55 0.00 0.00 175.29 173.28