#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 2.43 0.02 0.03 -0.21 -1.26 -5.04 119.66 115.63 1krx s GLN 2 Ca 0.00 -1.12 0.02 0.00 0.02 0.00 0.00 55.36 54.28 1krx s GLN 2 Cb 0.00 -2.36 -0.25 0.00 1.00 0.00 0.00 33.01 31.39 1krx s GLN 2 CO 0.00 0.45 0.91 0.07 -2.12 0.00 0.00 175.29 174.60 1krx h ARG 3 N 2.61 0.15 -3.04 2.91 -0.00 -2.05 -3.50 114.38 111.46 1krx h ARG 3 Ca -0.47 -0.26 0.00 0.00 -0.00 0.00 0.00 59.98 59.25 1krx h ARG 3 Cb 1.21 0.10 -0.00 0.00 -0.00 0.00 0.00 29.97 31.27 1krx h ARG 3 CO 0.58 0.98 -0.02 0.41 -0.00 0.00 0.00 179.97 181.92 1krx n GLY 4 N 1.58 -2.91 3.20 0.08 0.00 -1.26 -4.40 105.19 101.48 1krx n GLY 4 Ca -0.13 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.02 3.05 -0.17 -0.61 -1.09 -1.26 0.11 121.20 121.21 1krx s ILE 5 Ca -0.00 -1.17 -0.02 0.00 -2.23 0.00 0.00 60.65 57.24 1krx s ILE 5 Cb 0.00 -2.66 -0.01 0.00 -1.58 0.00 0.00 42.46 38.22 1krx s ILE 5 CO 0.02 0.03 -0.10 0.54 -1.23 0.00 0.00 174.94 174.20 1krx s VAL 6 N 1.31 3.11 -0.05 2.92 0.11 0.15 0.85 120.40 128.79 1krx s VAL 6 Ca -0.02 -0.61 0.04 0.00 -2.93 0.00 0.00 61.98 58.45 1krx s VAL 6 Cb -0.18 -2.35 -0.02 0.00 -1.53 0.00 0.00 36.38 32.30 1krx s VAL 6 CO -0.02 0.49 -0.17 0.26 -3.33 0.00 0.00 175.10 172.33 1krx s TRP 7 N 0.84 2.64 -0.02 1.54 0.52 -1.12 -2.31 118.94 121.03 1krx s TRP 7 Ca -0.03 -0.26 0.03 0.00 0.02 0.00 0.00 56.10 55.85 1krx s TRP 7 Cb -0.15 -1.62 -0.00 0.00 -1.15 0.00 0.00 33.47 30.55 1krx s TRP 7 CO 0.01 0.10 -0.10 0.08 0.02 0.00 0.00 176.95 177.06 1krx s VAL 8 N -0.61 0.78 -0.25 4.03 1.01 0.19 0.13 120.40 125.69 1krx s VAL 8 Ca 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1krx s VAL 8 Cb -0.11 -0.67 0.07 0.00 0.00 0.00 0.00 36.38 35.67 1krx s VAL 8 CO 0.01 0.23 0.00 -0.69 0.00 0.00 0.00 175.10 174.65 1krx s VAL 9 N -0.06 1.27 0.00 2.92 1.01 0.38 -0.54 120.40 125.39 1krx s VAL 9 Ca 0.01 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 60.76 1krx s VAL 9 Cb -0.06 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1krx s VAL 9 CO -0.00 -0.28 0.00 -0.67 0.00 0.00 0.00 175.10 174.15 1krx n ASP 10 N 4.74 0.00 0.00 3.32 -0.08 -1.09 0.96 116.55 124.40 1krx n ASP 10 Ca -0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.20 1krx n ASP 10 Cb 0.44 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.90 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 2.03 -1.24 -4.45 116.55 114.56 1krx n ASP 11 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 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 -0.67 -1.92 0.00 0.00 177.20 174.61 1krx n ASP 12 N 1.18 0.00 0.00 1.67 2.03 -1.24 -4.54 116.55 115.65 1krx n ASP 12 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1krx n ASP 12 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1krx n ASP 12 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1krx n SER 13 N 9.33 0.00 -0.21 1.67 3.41 -1.26 0.22 113.62 126.78 1krx n SER 13 Ca 0.00 0.05 0.01 0.00 -0.26 0.00 0.00 58.87 58.67 1krx n SER 13 Cb 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.07 1krx n SER 13 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1krx h SER 14 N 0.00 0.24 0.78 4.04 0.02 -1.93 -0.38 113.55 116.32 1krx h SER 14 Ca 0.00 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1krx h SER 14 Cb 0.00 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 1krx h SER 14 CO 0.00 0.13 -0.02 0.40 -1.14 0.00 0.00 176.83 176.21 1krx h ILE 15 N 0.42 0.06 0.02 3.27 1.08 -1.15 -3.09 117.51 118.13 1krx h ILE 15 Ca 0.33 -0.44 -0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1krx h ILE 15 Cb 0.42 1.41 0.00 0.00 -3.07 0.00 0.00 36.82 35.58 1krx h ILE 15 CO -0.32 0.02 -0.01 -0.09 -0.69 0.00 0.00 178.15 177.06 1krx h ARG 16 N 0.00 -0.03 -0.83 2.37 2.43 0.45 -2.99 114.38 115.77 1krx h ARG 16 Ca -0.00 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.31 1krx h ARG 16 Cb 0.41 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.88 1krx h ARG 16 CO 0.00 0.47 0.42 2.35 -1.51 0.00 0.00 179.97 181.71 1krx h TRP 17 N -0.99 0.74 0.05 2.20 7.01 -1.39 0.83 115.95 124.41 1krx h TRP 17 Ca -0.00 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 1krx h TRP 17 Cb 0.51 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.36 1krx h TRP 17 CO 0.13 0.18 -0.02 0.28 -2.79 0.00 0.00 178.44 176.22 1krx h VAL 18 N 0.61 1.28 0.00 2.65 2.07 -1.69 -3.09 116.25 118.09 1krx h VAL 18 Ca 0.45 -1.25 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 1krx h VAL 18 Cb 0.63 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1krx h VAL 18 CO -0.36 0.31 -0.47 -0.07 0.02 0.00 0.00 177.57 177.00 1krx h LEU 19 N -0.64 0.00 0.57 2.57 -0.00 -1.34 -2.93 115.31 113.55 1krx h LEU 19 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1krx h LEU 19 Cb 0.56 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.22 1krx h LEU 19 CO 0.01 0.47 -0.27 1.05 -0.00 0.00 0.00 178.44 179.70 1krx h GLU 20 N 0.00 -0.73 0.69 1.13 4.11 0.62 -2.50 114.58 117.89 1krx h GLU 20 Ca -0.00 0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.44 1krx h GLU 20 Cb 0.90 0.17 0.01 0.00 0.50 0.00 0.00 28.75 30.33 1krx h GLU 20 CO 0.06 -0.45 -0.33 0.00 0.07 0.00 0.00 179.01 178.36 1krx h ARG 21 N -1.14 -0.89 0.09 1.06 2.47 -1.63 0.32 114.38 114.65 1krx h ARG 21 Ca -0.08 0.06 0.02 0.00 -1.26 0.00 0.00 59.98 58.73 1krx h ARG 21 Cb 0.62 0.20 -0.04 0.00 -1.65 0.00 0.00 29.97 29.10 1krx h ARG 21 CO 0.13 -0.56 -0.32 0.00 0.56 0.00 0.00 179.97 179.78 1krx h ALA 22 N -0.88 -0.52 0.00 0.04 0.00 -1.68 0.43 119.26 116.65 1krx h ALA 22 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1krx h ALA 22 Cb 0.74 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1krx h ALA 22 CO 0.16 -0.85 0.00 1.25 0.00 0.00 0.00 179.25 179.80 1krx h LEU 23 N -0.52 0.00 -0.74 0.00 5.85 -1.52 -1.15 115.31 117.23 1krx h LEU 23 Ca 0.04 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.62 1krx h LEU 23 Cb 0.57 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1krx h LEU 23 CO -0.20 0.00 -0.51 0.00 -0.34 0.00 0.00 178.44 177.39 1krx h ALA 24 N 2.01 0.92 0.00 1.25 0.00 0.17 -2.36 119.26 121.24 1krx h ALA 24 Ca 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1krx h ALA 24 Cb 0.33 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1krx h ALA 24 CO 0.00 0.67 -0.08 0.78 0.00 0.00 0.00 179.25 180.62 1krx h GLY 25 N 1.30 0.00 2.00 0.00 0.00 0.16 0.53 103.07 107.06 1krx h GLY 25 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1krx h GLY 25 CO 0.08 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.62 1krx h ALA 26 N 1.92 1.00 0.00 3.60 0.00 -1.45 -3.47 119.26 120.86 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 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 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 0.88 1.49 3.54 0.00 0.00 0.18 -5.12 105.19 106.16 1krx n GLY 27 Ca 0.04 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 2.73 -0.41 0.99 1.02 -1.19 -4.48 118.68 117.34 1krx s LEU 28 Ca 0.00 -1.19 -0.18 0.00 0.02 0.00 0.00 54.13 52.77 1krx s LEU 28 Cb 0.00 -1.01 0.02 0.00 0.02 0.00 0.00 46.19 45.22 1krx s LEU 28 CO 0.00 -0.19 0.51 -0.89 0.02 0.00 0.00 176.35 175.80 1krx s THR 29 N -2.60 4.99 -0.28 5.49 2.01 0.30 -4.35 115.64 121.19 1krx s THR 29 Ca 0.32 -0.05 -0.10 0.00 0.31 0.00 0.00 61.69 62.18 1krx s THR 29 Cb 0.02 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 1krx s THR 29 CO 0.16 -0.42 0.16 0.00 -0.69 0.00 0.00 174.62 173.83 1krx s THR 31 N 1.69 1.13 0.23 0.00 -1.32 -0.98 -4.80 115.64 111.60 1krx s THR 31 Ca 0.06 -0.56 0.09 0.00 -1.21 0.00 0.00 61.69 60.08 1krx s THR 31 Cb -0.16 -0.98 -0.04 0.00 -1.51 0.00 0.00 72.50 69.81 1krx s THR 31 CO 0.08 0.33 -0.05 0.42 -2.21 0.00 0.00 174.62 173.19 1krx s THR 32 N 0.05 3.29 0.31 5.08 -4.23 -1.25 -0.64 115.64 118.25 1krx s THR 32 Ca -0.02 -1.83 0.03 0.00 -1.18 0.00 0.00 61.69 58.68 1krx s THR 32 Cb -0.10 -2.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.00 1krx s THR 32 CO 0.01 -0.26 0.14 -0.36 -0.54 0.00 0.00 174.62 173.61 1krx s PHE 33 N -2.08 1.62 0.05 3.99 0.40 0.30 -4.95 117.98 117.32 1krx s PHE 33 Ca 0.29 -1.32 -0.33 0.00 -0.60 0.00 0.00 56.93 54.97 1krx s PHE 33 Cb -0.07 -0.91 -0.19 0.00 0.51 0.00 0.00 43.02 42.36 1krx s PHE 33 CO 0.18 -0.45 1.51 1.05 0.70 0.00 0.00 175.22 178.20 1krx h GLU 34 N 2.20 -0.99 0.00 0.44 -0.00 -1.92 -2.90 114.58 111.41 1krx h GLU 34 Ca -0.35 0.07 0.00 0.00 -0.00 0.00 0.00 59.36 59.08 1krx h GLU 34 Cb 1.25 0.23 0.00 0.00 -0.00 0.00 0.00 28.75 30.23 1krx h GLU 34 CO 0.54 -0.65 0.00 -1.71 -0.00 0.00 0.00 179.01 177.19 1krx n ASN 35 N -5.51 0.00 0.00 3.06 5.15 -1.26 -3.62 115.26 113.08 1krx n ASN 35 Ca -0.14 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.84 1krx n ASN 35 Cb 0.42 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.67 1krx n ASN 35 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1krx n GLY 36 N -0.10 -0.27 0.49 8.20 0.00 -1.26 -2.00 105.19 110.24 1krx n GLY 36 Ca 0.00 0.29 0.32 0.00 0.00 0.00 0.00 46.02 46.63 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 0.18 0.89 1.61 -0.26 -1.97 -0.32 115.58 115.71 1krx h ASN 37 Ca 0.00 0.04 -0.04 0.00 -0.56 0.00 0.00 56.30 55.74 1krx h ASN 37 Cb 0.00 0.02 0.01 0.00 -1.06 0.00 0.00 38.32 37.29 1krx h ASN 37 CO 0.00 0.01 -0.43 -0.08 -1.06 0.00 0.00 177.43 175.87 1krx h GLU 38 N 0.15 -1.15 -0.80 0.81 4.22 -1.98 -2.81 114.58 113.02 1krx h GLU 38 Ca 0.62 0.08 0.16 0.00 0.08 0.00 0.00 59.36 60.30 1krx h GLU 38 Cb 2.11 0.26 -0.05 0.00 0.50 0.00 0.00 28.75 31.56 1krx h GLU 38 CO -0.15 -0.76 0.53 0.28 -2.18 0.00 0.00 179.01 176.72 1krx h VAL 39 N -1.23 0.78 -0.45 0.32 2.07 -1.49 -1.67 116.25 114.57 1krx h VAL 39 Ca -0.12 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.34 1krx h VAL 39 Cb 0.91 0.30 -0.10 0.00 -1.52 0.00 0.00 31.29 30.88 1krx h VAL 39 CO 0.20 0.08 -0.23 -0.07 0.02 0.00 0.00 177.57 177.57 1krx h LEU 40 N 0.44 -0.80 -0.19 2.57 3.38 -1.09 1.42 115.31 121.03 1krx h LEU 40 Ca 0.40 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.54 1krx h LEU 40 Cb 0.90 0.42 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1krx h LEU 40 CO -0.14 -0.26 0.12 0.00 0.09 0.00 0.00 178.44 178.25 1krx h ALA 41 N 1.12 0.25 -0.37 1.53 0.00 -1.21 -2.65 119.26 117.92 1krx h ALA 41 Ca 0.21 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1krx h ALA 41 Cb 0.47 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1krx h ALA 41 CO -0.54 -0.25 -0.02 0.00 0.00 0.00 0.00 179.25 178.44 1krx h ALA 42 N 1.03 1.27 0.00 0.00 0.00 -1.01 -2.40 119.26 118.16 1krx h ALA 42 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1krx h ALA 42 Cb 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1krx h ALA 42 CO -0.01 0.49 0.00 -0.07 0.00 0.00 0.00 179.25 179.65 1krx h LEU 43 N 0.56 0.00 -0.38 0.00 3.38 0.22 -2.40 115.31 116.69 1krx h LEU 43 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1krx h LEU 43 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1krx h LEU 43 CO 0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.55 1krx n ALA 44 N -2.08 1.48 -0.16 1.53 0.00 -0.90 -2.56 120.51 117.81 1krx n ALA 44 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1krx n ALA 44 Cb 0.26 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1krx n ALA 44 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1krx n SER 45 N -1.81 0.46 -3.62 0.00 7.64 -0.93 -5.02 113.62 110.33 1krx n SER 45 Ca 0.02 -0.76 -0.10 0.00 1.01 0.00 0.00 58.87 59.03 1krx n SER 45 Cb 0.14 0.28 -0.04 0.00 -1.01 0.00 0.00 64.21 63.59 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 1.21 -0.15 1.43 2.20 -1.06 -5.15 119.74 117.94 1krx s LYS 46 Ca 0.00 -0.71 -0.04 0.00 -0.36 0.00 0.00 55.97 54.86 1krx s LYS 46 Cb 0.00 0.51 0.05 0.00 -1.51 0.00 0.00 37.83 36.88 1krx s LYS 46 CO 0.00 -0.50 0.07 0.99 -0.36 0.00 0.00 175.35 175.55 1krx s THR 47 N -3.82 0.08 0.81 3.43 2.01 -1.26 -4.28 115.64 112.60 1krx s THR 47 Ca 0.05 -0.13 -0.11 0.00 0.31 0.00 0.00 61.69 61.80 1krx s THR 47 Cb 0.00 -0.60 0.08 0.00 0.01 0.00 0.00 72.50 71.99 1krx s THR 47 CO -0.09 -0.15 1.10 -2.16 -0.69 0.00 0.00 174.62 172.62 1krx s PRO 48 N 2.07 2.00 0.26 4.92 0.04 -1.26 -4.97 135.00 138.06 1krx s PRO 48 Ca 0.02 0.64 0.17 0.00 0.04 0.00 0.00 61.00 61.87 1krx s PRO 48 Cb -0.15 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.55 1krx s PRO 48 CO -0.08 -1.68 1.34 -0.44 0.04 0.00 0.00 177.00 176.18 1krx h ASP 49 N -1.13 0.00 -1.80 6.66 3.32 0.07 -3.42 116.42 120.11 1krx h ASP 49 Ca -0.47 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.26 1krx h ASP 49 Cb 1.27 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.53 1krx h ASP 49 CO 0.59 0.40 -0.64 0.54 -1.72 0.00 0.00 179.24 178.41 1krx s VAL 50 N -3.02 -0.44 0.35 -1.35 0.11 -1.11 -4.92 120.40 110.02 1krx s VAL 50 Ca 0.03 -0.80 -0.17 0.00 -2.93 0.00 0.00 61.98 58.11 1krx s VAL 50 Cb 0.07 -0.60 -0.09 0.00 -1.53 0.00 0.00 36.38 34.23 1krx s VAL 50 CO 0.75 -0.48 0.79 -0.22 -3.33 0.00 0.00 175.10 172.61 1krx s LEU 51 N 1.57 4.04 -0.15 2.54 2.96 -1.12 -2.78 118.68 125.73 1krx s LEU 51 Ca 0.16 1.39 -0.02 0.00 -0.22 0.00 0.00 54.13 55.45 1krx s LEU 51 Cb -0.13 -4.18 0.05 0.00 0.50 0.00 0.00 46.19 42.42 1krx s LEU 51 CO -0.06 -0.23 0.01 -0.76 -1.32 0.00 0.00 176.35 173.98 1krx s LEU 52 N -2.99 1.09 -0.01 -0.68 1.43 0.35 0.42 118.68 118.30 1krx s LEU 52 Ca 0.56 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1krx s LEU 52 Cb -0.10 -0.61 -0.03 0.00 0.03 0.00 0.00 46.19 45.47 1krx s LEU 52 CO 0.16 -0.25 -0.03 -0.44 0.23 0.00 0.00 176.35 176.03 1krx s SER 53 N 1.85 4.90 1.03 2.29 0.01 0.41 0.14 113.70 124.33 1krx s SER 53 Ca 0.01 -0.06 -0.04 0.00 1.31 0.00 0.00 55.95 57.18 1krx s SER 53 Cb -0.15 -1.23 0.05 0.00 0.21 0.00 0.00 66.02 64.90 1krx s SER 53 CO -0.07 0.29 0.23 -0.67 0.41 0.00 0.00 173.24 173.43 1krx n ASP 54 N 1.54 -0.79 -2.80 2.44 -0.08 0.27 -2.49 116.55 114.64 1krx n ASP 54 Ca -0.15 -0.79 -0.01 0.00 -1.51 0.00 0.00 54.79 52.33 1krx n ASP 54 Cb 0.53 -0.20 0.01 0.00 2.34 0.00 0.00 41.12 43.81 1krx n ASP 54 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1krx s ILE 55 N -1.45 -0.50 0.00 5.18 2.07 -1.26 -4.68 121.20 120.57 1krx s ILE 55 Ca 0.14 -0.30 0.00 0.00 -1.41 0.00 0.00 60.65 59.08 1krx s ILE 55 Cb -0.01 0.00 0.00 0.00 0.13 0.00 0.00 42.46 42.58 1krx s ILE 55 CO 0.10 0.00 0.00 -1.14 -1.91 0.00 0.00 174.94 171.99 1krx n ARG 56 N 3.22 0.00 0.16 3.50 0.00 -1.12 -4.47 116.66 117.96 1krx n ARG 56 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1krx n ARG 56 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.07 1krx n ARG 56 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1krx n MET 57 N 0.00 0.00 -0.09 -0.14 2.81 0.42 -4.94 117.12 115.18 1krx n MET 57 Ca 0.00 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.78 1krx n MET 57 Cb 0.00 0.00 0.11 0.00 -0.71 0.00 0.00 33.22 32.62 1krx n MET 57 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1krx n PRO 58 N -3.16 -2.96 0.12 0.03 -0.04 -0.92 -4.85 135.00 123.22 1krx n PRO 58 Ca 0.00 -0.53 -0.06 0.00 -0.04 0.00 0.00 63.50 62.87 1krx n PRO 58 Cb 0.00 -0.70 -0.03 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.95 -0.81 -5.11 0.55 0.00 -1.97 -3.03 103.07 90.76 1krx h GLY 59 Ca -0.14 0.35 -0.33 0.00 0.00 0.00 0.00 47.33 47.21 1krx h GLY 59 CO 0.09 -0.28 1.97 -0.13 0.00 0.00 0.00 176.54 178.19 1krx n MET 60 N -3.33 1.96 0.00 4.80 0.00 -1.26 -4.77 117.12 114.52 1krx n MET 60 Ca -0.04 -1.27 0.00 0.00 -0.00 0.00 0.00 57.70 56.38 1krx n MET 60 Cb 0.16 -2.30 0.00 0.00 0.00 0.00 0.00 33.22 31.09 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 3.73 0.00 0.00 6.12 9.92 -1.14 -1.81 116.55 133.37 1krx n ASP 61 Ca 0.42 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.68 1krx n ASP 61 Cb 0.26 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.74 1krx n ASP 61 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1krx n GLY 62 N 0.00 0.00 0.30 0.44 0.00 -1.26 0.16 105.19 104.82 1krx n GLY 62 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.03 0.99 4.07 -1.64 -2.22 115.31 114.48 1krx h LEU 63 Ca 0.00 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.01 1krx h LEU 63 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1krx h LEU 63 CO 0.00 0.00 0.36 0.00 -1.08 0.00 0.00 178.44 177.72 1krx h ALA 64 N 2.01 1.68 -0.37 1.53 0.00 -1.86 0.26 119.26 122.51 1krx h ALA 64 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1krx h ALA 64 Cb 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1krx h ALA 64 CO 0.00 -0.45 -0.34 -0.07 0.00 0.00 0.00 179.25 178.39 1krx h LEU 65 N 0.00 0.94 -0.91 0.00 3.38 -1.73 -2.99 115.31 113.99 1krx h LEU 65 Ca 0.08 -0.46 0.07 0.00 0.09 0.00 0.00 57.88 57.67 1krx h LEU 65 Cb 0.80 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 1krx h LEU 65 CO -0.00 1.20 0.56 -0.07 0.09 0.00 0.00 178.44 180.22 1krx h LEU 66 N 0.68 0.87 -0.09 1.67 4.07 -0.68 0.63 115.31 122.46 1krx h LEU 66 Ca 0.06 0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.09 1krx h LEU 66 Cb 0.93 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 42.46 1krx h LEU 66 CO 0.09 0.54 -0.22 0.11 -1.08 0.00 0.00 178.44 177.88 1krx h LYS 67 N 1.00 -0.28 0.00 1.13 1.79 -1.43 -0.67 116.57 118.10 1krx h LYS 67 Ca 0.41 0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.81 1krx h LYS 67 Cb 0.23 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1krx h LYS 67 CO -0.19 -0.19 -0.43 1.96 -1.08 0.00 0.00 179.45 179.52 1krx h GLN 68 N -0.29 0.00 -0.18 3.15 1.08 -1.29 -3.03 115.11 114.56 1krx h GLN 68 Ca 0.09 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.34 1krx h GLN 68 Cb 0.42 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.79 1krx h GLN 68 CO -0.26 0.43 -0.21 0.82 -0.95 0.00 0.00 178.83 178.66 1krx h ILE 69 N 0.00 0.47 -0.05 2.54 1.08 0.17 1.01 117.51 122.73 1krx h ILE 69 Ca -0.00 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.37 1krx h ILE 69 Cb 0.79 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 1krx h ILE 69 CO 0.06 0.00 -0.42 0.07 -0.69 0.00 0.00 178.15 177.17 1krx h LYS 70 N -0.24 0.10 0.00 2.37 2.10 -1.28 -1.64 116.57 117.98 1krx h LYS 70 Ca 0.11 -0.05 -0.07 0.00 -2.00 0.00 0.00 60.65 58.65 1krx h LYS 70 Cb 0.41 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.73 1krx h LYS 70 CO -0.32 0.51 -0.32 0.37 -2.00 0.00 0.00 179.45 177.69 1krx h GLN 71 N 0.09 0.00 0.00 0.07 -0.00 -1.17 -3.40 115.11 110.70 1krx h GLN 71 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1krx h GLN 71 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.26 1krx h GLN 71 CO 0.06 0.32 0.00 0.54 0.00 0.00 0.00 178.83 179.75 1krx n ARG 72 N -3.20 0.00 -2.54 1.69 5.12 0.34 -5.00 116.66 113.07 1krx n ARG 72 Ca 0.02 0.24 -0.24 0.00 -1.93 0.00 0.00 57.85 55.94 1krx n ARG 72 Cb 0.64 -0.69 0.04 0.00 -1.16 0.00 0.00 32.46 31.29 1krx n ARG 72 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 1krx s HIS 73 N -0.67 3.07 -1.32 -1.55 -3.43 -0.65 -4.78 115.29 105.95 1krx s HIS 73 Ca 0.00 0.34 -0.16 0.00 -0.80 0.00 0.00 55.06 54.44 1krx s HIS 73 Cb 0.00 -2.76 0.01 0.00 -1.43 0.00 0.00 32.58 28.40 1krx s HIS 73 CO 0.00 -0.87 2.08 -0.35 -2.00 0.00 0.00 174.74 173.60 1krx n PRO 74 N -2.49 2.68 -3.06 -0.38 -0.04 -1.26 -4.41 135.00 126.04 1krx n PRO 74 Ca 0.06 -2.62 -0.21 0.00 -0.04 0.00 0.00 63.50 60.68 1krx n PRO 74 Cb 0.59 -3.29 0.01 0.00 -0.04 0.00 0.00 33.50 30.76 1krx n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1krx n MET 75 N 6.74 -3.72 -1.82 0.54 0.00 -1.26 -4.89 117.12 112.71 1krx n MET 75 Ca 0.51 0.68 -0.42 0.00 0.00 0.00 0.00 57.70 58.46 1krx n MET 75 Cb 0.41 -5.43 -0.03 0.00 0.00 0.00 0.00 33.22 28.17 1krx n MET 75 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1krx s LEU 76 N -6.42 4.39 0.18 3.17 1.98 -1.26 -4.73 118.68 115.98 1krx s LEU 76 Ca 0.29 2.51 -0.33 0.00 -2.89 0.00 0.00 54.13 53.71 1krx s LEU 76 Cb -0.14 -3.54 -0.14 0.00 0.66 0.00 0.00 46.19 43.03 1krx s LEU 76 CO 0.36 -0.99 1.44 -0.81 -1.89 0.00 0.00 176.35 174.46 1krx n PRO 77 N 7.01 1.89 -4.36 0.98 -0.04 -1.26 -4.89 135.00 134.34 1krx n PRO 77 Ca 0.18 0.68 -0.24 0.00 -0.04 0.00 0.00 63.50 64.08 1krx n PRO 77 Cb 0.41 -2.36 -0.12 0.00 -0.04 0.00 0.00 33.50 31.40 1krx n PRO 77 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1krx s VAL 78 N 0.37 1.98 -0.13 0.52 1.01 -1.26 -2.81 120.40 120.07 1krx s VAL 78 Ca 0.75 -1.91 -0.01 0.00 0.00 0.00 0.00 61.98 60.80 1krx s VAL 78 Cb -0.72 -1.90 0.04 0.00 0.00 0.00 0.00 36.38 33.80 1krx s VAL 78 CO 0.45 -0.22 -0.03 -0.63 0.00 0.00 0.00 175.10 174.66 1krx s ILE 79 N -1.82 0.82 0.19 2.22 1.01 0.17 -0.01 121.20 123.77 1krx s ILE 79 Ca 0.16 -0.33 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 1krx s ILE 79 Cb -0.07 -0.99 -0.06 0.00 0.01 0.00 0.00 42.46 41.35 1krx s ILE 79 CO 0.07 0.19 0.45 -0.63 0.00 0.00 0.00 174.94 175.03 1krx s ILE 80 N 1.77 5.07 -0.34 2.92 -1.09 -1.14 0.15 121.20 128.54 1krx s ILE 80 Ca 0.03 0.19 0.23 0.00 -2.23 0.00 0.00 60.65 58.86 1krx s ILE 80 Cb -0.14 -3.63 0.10 0.00 -1.58 0.00 0.00 42.46 37.21 1krx s ILE 80 CO -0.07 -0.03 1.23 0.00 -1.23 0.00 0.00 174.94 174.84 1krx h MET 81 N 2.61 0.00 -4.05 2.79 -0.00 -1.68 1.43 114.93 116.02 1krx h MET 81 Ca -0.46 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.08 1krx h MET 81 Cb 1.17 0.00 -0.11 0.00 -0.00 0.00 0.00 31.60 32.66 1krx h MET 81 CO 0.71 0.00 -0.31 0.99 -0.00 0.00 0.00 176.91 178.30 1krx s THR 82 N -3.30 0.00 0.00 -0.10 2.01 -0.11 0.70 115.64 114.85 1krx s THR 82 Ca 0.02 -1.65 0.00 0.00 0.31 0.00 0.00 61.69 60.37 1krx s THR 82 Cb 0.09 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 70.24 1krx s THR 82 CO 0.75 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.68 1krx n ALA 83 N -0.36 1.78 -2.44 7.40 0.00 -1.25 -4.64 120.51 121.00 1krx n ALA 83 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1krx n ALA 83 Cb 0.63 0.02 -0.00 0.00 0.00 0.00 0.00 19.45 20.10 1krx n ALA 83 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1krx n HIS 84 N -1.37 -1.72 -0.42 0.00 8.25 -1.26 -0.43 115.22 118.27 1krx n HIS 84 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1krx n HIS 84 Cb 0.04 -1.76 0.00 0.00 1.12 0.00 0.00 29.99 29.40 1krx n HIS 84 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1krx n SER 85 N -1.57 0.00 -2.00 0.41 7.64 -1.26 -4.82 113.62 112.02 1krx n SER 85 Ca -0.06 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.60 1krx n SER 85 Cb 0.54 -1.27 0.06 0.00 -1.01 0.00 0.00 64.21 62.52 1krx n SER 85 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1krx n ASP 86 N 0.00 6.56 0.27 6.43 8.00 0.43 -4.61 116.55 133.62 1krx n ASP 86 Ca 0.00 -3.25 0.12 0.00 0.71 0.00 0.00 54.79 52.37 1krx n ASP 86 Cb 0.00 -1.01 0.54 0.00 -0.02 0.00 0.00 41.12 40.63 1krx n ASP 86 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1krx h LEU 87 N 2.26 0.00 -0.33 0.64 7.12 -1.88 -2.74 115.31 120.38 1krx h LEU 87 Ca 0.38 0.00 0.06 0.00 0.13 0.00 0.00 57.88 58.45 1krx h LEU 87 Cb 0.99 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 41.03 1krx h LEU 87 CO 0.98 0.00 -0.46 -0.78 -0.13 0.00 0.00 178.44 178.05 1krx h ASP 88 N 0.00 -1.51 0.44 1.25 3.58 -1.93 0.97 116.42 119.22 1krx h ASP 88 Ca 0.06 0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.69 1krx h ASP 88 Cb 1.27 0.64 -0.00 0.00 1.72 0.00 0.00 39.33 42.95 1krx h ASP 88 CO -0.00 -0.40 -0.13 0.00 -2.88 0.00 0.00 179.24 175.84 1krx h ALA 89 N 0.23 1.24 -0.15 -0.78 0.00 -1.87 -2.18 119.26 115.76 1krx h ALA 89 Ca 0.11 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1krx h ALA 89 Cb 0.60 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1krx h ALA 89 CO -0.54 0.16 -0.38 0.00 0.00 0.00 0.00 179.25 178.49 1krx h ALA 90 N 1.87 1.08 -0.38 0.00 0.00 -1.00 -2.70 119.26 118.13 1krx h ALA 90 Ca -0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1krx h ALA 90 Cb 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1krx h ALA 90 CO 0.02 0.59 0.16 0.28 0.00 0.00 0.00 179.25 180.29 1krx h VAL 91 N 0.27 1.19 -0.41 0.00 2.07 -0.53 -2.16 116.25 116.67 1krx h VAL 91 Ca 0.03 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1krx h VAL 91 Cb 0.80 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1krx h VAL 91 CO 0.06 0.20 0.25 0.77 0.02 0.00 0.00 177.57 178.88 1krx h SER 92 N 0.47 0.47 -0.87 0.57 4.64 -1.52 -1.53 113.55 115.78 1krx h SER 92 Ca 0.13 -0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.44 1krx h SER 92 Cb 0.17 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.09 1krx h SER 92 CO -0.01 0.36 0.57 0.00 -0.87 0.00 0.00 176.83 176.88 1krx h ALA 93 N 1.73 1.11 0.00 5.18 0.00 -1.08 0.10 119.26 126.31 1krx h ALA 93 Ca 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1krx h ALA 93 Cb -0.04 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 1krx h ALA 93 CO -0.03 0.49 -0.02 1.88 0.00 0.00 0.00 179.25 181.57 1krx h TYR 94 N 1.16 0.00 -0.26 0.00 0.05 -0.94 0.15 116.97 117.13 1krx h TYR 94 Ca 0.33 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 59.00 1krx h TYR 94 Cb -0.11 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.63 1krx h TYR 94 CO -0.01 0.02 -0.25 -0.56 -1.05 0.00 0.00 178.16 176.30 1krx h GLN 95 N 0.00 0.62 0.00 4.88 3.07 -0.68 -3.10 115.11 119.90 1krx h GLN 95 Ca -0.00 -0.33 0.00 0.00 0.09 0.00 0.00 58.65 58.41 1krx h GLN 95 Cb 0.11 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.68 1krx h GLN 95 CO 0.00 0.93 -0.20 -0.56 0.09 0.00 0.00 178.83 179.09 1krx h GLN 96 N 0.34 0.00 0.00 0.06 -0.00 -1.22 -3.47 115.11 110.82 1krx h GLN 96 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 1krx h GLN 96 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.30 1krx h GLN 96 CO 0.06 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.30 1krx n GLY 97 N 1.15 1.07 3.73 0.06 0.00 -0.44 -4.70 105.19 106.07 1krx n GLY 97 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.94 2.17 -0.12 4.61 0.00 0.40 -4.15 121.76 122.72 1krx s ALA 98 Ca 0.00 0.83 -0.19 0.00 0.00 0.00 0.00 51.96 52.60 1krx s ALA 98 Cb 0.00 -3.45 -0.17 0.00 0.00 0.00 0.00 23.12 19.51 1krx s ALA 98 CO 0.00 -1.79 0.51 0.35 0.00 0.00 0.00 175.76 174.83 1krx h PHE 99 N -0.25 -0.00 0.00 0.00 3.57 -0.74 -3.45 116.94 116.07 1krx h PHE 99 Ca -0.47 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1krx h PHE 99 Cb 1.29 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.03 1krx h PHE 99 CO 0.48 0.63 0.00 -3.47 -2.23 0.00 0.00 178.31 173.72 1krx n ASP 100 N -4.68 0.00 -3.83 0.41 2.03 -1.11 -5.01 116.55 104.36 1krx n ASP 100 Ca -0.06 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.12 1krx n ASP 100 Cb 0.31 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.58 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 -0.10 -0.10 -0.67 1.51 -1.26 -2.91 117.35 110.82 1krx s TYR 101 Ca 0.00 0.26 -0.05 0.00 -1.01 0.00 0.00 57.07 56.27 1krx s TYR 101 Cb 0.00 0.03 -0.04 0.00 -0.11 0.00 0.00 41.96 41.84 1krx s TYR 101 CO 0.00 -0.06 0.11 -1.17 -1.11 0.00 0.00 175.55 173.32 1krx s LEU 102 N 0.12 4.17 0.37 -1.29 2.96 0.49 -4.93 118.68 120.57 1krx s LEU 102 Ca -0.01 0.36 0.05 0.00 -0.22 0.00 0.00 54.13 54.32 1krx s LEU 102 Cb -0.01 -2.06 0.73 0.00 0.50 0.00 0.00 46.19 45.35 1krx s LEU 102 CO -0.00 0.38 1.99 -0.65 -1.32 0.00 0.00 176.35 176.75 1krx h PRO 103 N 4.88 0.58 0.00 0.98 0.11 -1.85 -0.25 132.00 136.45 1krx h PRO 103 Ca -0.53 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.51 1krx h PRO 103 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1krx h PRO 103 CO 0.58 0.46 0.00 1.17 -0.21 0.00 0.00 178.00 180.00 1krx n LYS 104 N -4.40 0.00 -0.84 1.05 3.00 0.22 -4.37 118.16 112.82 1krx n LYS 104 Ca 0.03 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 58.00 1krx n LYS 104 Cb 0.12 0.00 0.10 0.00 0.00 0.00 0.00 35.03 35.26 1krx n LYS 104 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1krx n PRO 105 N 0.00 -0.52 0.00 1.64 -0.04 -1.26 -4.77 135.00 130.05 1krx n PRO 105 Ca 0.00 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1krx n PRO 105 Cb 0.00 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 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 -3.55 0.00 -0.41 0.54 -0.00 -1.26 -4.92 117.46 107.86 1krx n PHE 106 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 1krx n PHE 106 Cb 0.59 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 40.07 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 -0.56 -0.00 -2.13 5.68 -1.26 -1.07 116.55 117.20 1krx n ASP 107 Ca 0.00 0.02 -0.13 0.00 -0.50 0.00 0.00 54.79 54.18 1krx n ASP 107 Cb 0.00 -0.11 -0.09 0.00 -1.14 0.00 0.00 41.12 39.78 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 -0.02 1.32 -0.04 2.12 5.03 -1.96 0.33 117.51 124.30 1krx h ILE 108 Ca 0.00 -0.95 0.03 0.00 -0.12 0.00 0.00 64.86 63.82 1krx h ILE 108 Cb 0.01 1.97 -0.06 0.00 -3.03 0.00 0.00 36.82 35.72 1krx h ILE 108 CO 0.00 0.25 -0.41 0.44 -0.68 0.00 0.00 178.15 177.75 1krx h ASP 109 N -0.40 -1.26 0.77 1.72 3.32 -1.98 0.98 116.42 119.57 1krx h ASP 109 Ca 0.00 0.16 -0.18 0.00 0.02 0.00 0.00 57.03 57.03 1krx h ASP 109 Cb 0.41 0.50 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 1krx h ASP 109 CO 0.00 -0.44 -0.83 -0.33 -1.72 0.00 0.00 179.24 175.92 1krx h GLU 110 N -0.54 0.04 0.00 3.56 4.39 -1.32 -2.68 114.58 118.02 1krx h GLU 110 Ca 0.06 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1krx h GLU 110 Cb 0.64 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1krx h GLU 110 CO -0.34 0.84 -0.27 0.00 -1.16 0.00 0.00 179.01 178.09 1krx h ALA 111 N 1.14 0.03 -0.57 3.43 0.00 0.74 -3.12 119.26 120.91 1krx h ALA 111 Ca -0.02 -0.36 0.16 0.00 0.00 0.00 0.00 54.91 54.70 1krx h ALA 111 Cb 1.46 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 1krx h ALA 111 CO 0.11 0.20 0.41 0.28 0.00 0.00 0.00 179.25 180.26 1krx h VAL 112 N -1.00 0.73 0.47 0.00 2.07 0.87 0.25 116.25 119.64 1krx h VAL 112 Ca -0.04 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1krx h VAL 112 Cb 0.46 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1krx h VAL 112 CO -0.02 0.01 -0.22 0.00 0.02 0.00 0.00 177.57 177.35 1krx h ALA 113 N 1.71 -0.63 0.00 1.67 0.00 -1.49 -0.69 119.26 119.84 1krx h ALA 113 Ca 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1krx h ALA 113 Cb 1.04 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1krx h ALA 113 CO -0.01 -0.85 -0.14 1.25 0.00 0.00 0.00 179.25 179.50 1krx h LEU 114 N -0.63 0.00 0.00 0.00 5.85 -0.94 -2.65 115.31 116.94 1krx h LEU 114 Ca -0.06 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1krx h LEU 114 Cb 0.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1krx h LEU 114 CO 0.11 0.14 -0.00 1.62 -0.34 0.00 0.00 178.44 179.96 1krx h VAL 115 N 0.00 1.72 -0.28 1.05 3.04 -0.29 -1.95 116.25 119.54 1krx h VAL 115 Ca -0.00 -2.24 -0.01 0.00 -1.01 0.00 0.00 66.70 63.44 1krx h VAL 115 Cb 0.67 3.22 -0.01 0.00 -2.01 0.00 0.00 31.29 33.16 1krx h VAL 115 CO 0.02 0.57 0.12 -0.33 -1.01 0.00 0.00 177.57 176.94 1krx h GLU 116 N -0.97 0.40 0.00 4.17 5.08 -1.20 -1.04 114.58 121.02 1krx h GLU 116 Ca -0.00 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1krx h GLU 116 Cb 0.94 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 1krx h GLU 116 CO 0.00 0.41 -0.14 0.00 -1.00 0.00 0.00 179.01 178.28 1krx h ARG 117 N 0.31 0.00 0.18 2.33 3.08 -1.61 -1.17 114.38 117.50 1krx h ARG 117 Ca 0.09 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1krx h ARG 117 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1krx h ARG 117 CO -0.01 0.14 -0.09 0.00 -1.07 0.00 0.00 179.97 178.94 1krx h ALA 118 N 1.86 -0.24 -0.09 0.04 0.00 -0.49 -1.30 119.26 119.04 1krx h ALA 118 Ca -0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1krx h ALA 118 Cb 0.35 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1krx h ALA 118 CO 0.02 -0.39 -0.26 0.82 0.00 0.00 0.00 179.25 179.43 1krx h ILE 119 N -0.72 1.23 -0.23 0.00 2.04 -1.05 -2.57 117.51 116.21 1krx h ILE 119 Ca -0.02 -1.07 -0.11 0.00 1.00 0.00 0.00 64.86 64.66 1krx h ILE 119 Cb 0.50 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1krx h ILE 119 CO 0.04 0.32 -0.28 0.77 0.00 0.00 0.00 178.15 179.00 1krx h SER 120 N 0.14 0.63 0.17 1.72 4.64 -1.22 -1.85 113.55 117.77 1krx h SER 120 Ca 0.02 -0.50 -0.05 0.00 -0.47 0.00 0.00 61.79 60.79 1krx h SER 120 Cb 0.54 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1krx h SER 120 CO 0.04 1.00 -0.21 0.45 -0.87 0.00 0.00 176.83 177.25 1krx h HIS 121 N 0.28 0.08 0.15 4.77 3.86 -1.05 -3.15 115.15 120.10 1krx h HIS 121 Ca 0.03 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1krx h HIS 121 Cb 0.85 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.30 1krx h HIS 121 CO 0.08 0.28 -0.07 1.88 0.86 0.00 0.00 177.93 180.96 1krx h TYR 122 N 0.07 -0.19 -2.91 2.45 0.05 -1.38 -3.50 116.97 111.57 1krx h TYR 122 Ca 0.01 -0.00 0.32 0.00 0.05 0.00 0.00 58.73 59.11 1krx h TYR 122 Cb 0.41 0.06 -0.11 0.00 1.01 0.00 0.00 36.73 38.10 1krx h TYR 122 CO 0.00 0.22 -0.65 0.94 -1.05 0.00 0.00 178.16 177.62 1krx n GLN 123 N -4.90 -2.57 0.00 4.88 -0.06 -0.71 -5.12 117.38 108.90 1krx n GLN 123 Ca -0.07 1.85 0.00 0.00 -2.00 0.00 0.00 57.00 56.78 1krx n GLN 123 Cb 0.25 -3.15 0.00 0.00 -4.06 0.00 0.00 30.24 23.27 1krx n GLN 123 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95