#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 1.78 0.00 0.03 1.11 -1.26 -4.90 119.66 116.43 1krx s GLN 2 Ca 0.00 1.20 0.24 0.00 0.01 0.00 0.00 55.36 56.81 1krx s GLN 2 Cb 0.00 -1.84 1.42 0.00 -1.01 0.00 0.00 33.01 31.58 1krx s GLN 2 CO 0.00 -1.99 1.79 2.89 0.01 0.00 0.00 175.29 178.00 1krx n ARG 3 N -3.76 0.77 -1.07 2.91 0.00 -1.26 -4.91 116.66 109.33 1krx n ARG 3 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 1krx n ARG 3 Cb 0.53 -1.48 0.00 0.00 -0.00 0.00 0.00 32.46 31.51 1krx n ARG 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1krx n GLY 4 N 0.53 -2.07 3.04 2.89 0.00 -1.26 -4.49 105.19 103.82 1krx n GLY 4 Ca 0.18 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 1.89 -0.16 -0.61 1.09 -1.26 0.12 121.20 122.26 1krx s ILE 5 Ca 0.00 -1.24 -0.06 0.00 -1.10 0.00 0.00 60.65 58.25 1krx s ILE 5 Cb 0.00 -1.95 -0.04 0.00 -1.06 0.00 0.00 42.46 39.42 1krx s ILE 5 CO 0.00 0.14 0.03 0.54 -0.10 0.00 0.00 174.94 175.55 1krx s VAL 6 N 1.27 4.51 -0.06 2.92 0.11 0.53 -0.74 120.40 128.93 1krx s VAL 6 Ca -0.03 -0.14 0.05 0.00 -2.93 0.00 0.00 61.98 58.93 1krx s VAL 6 Cb -0.17 -3.00 -0.02 0.00 -1.53 0.00 0.00 36.38 31.66 1krx s VAL 6 CO -0.08 0.49 -0.22 0.26 -3.33 0.00 0.00 175.10 172.23 1krx s TRP 7 N 0.16 2.53 -0.02 1.54 0.52 -1.00 -1.67 118.94 121.00 1krx s TRP 7 Ca 0.03 -0.58 0.05 0.00 0.02 0.00 0.00 56.10 55.62 1krx s TRP 7 Cb -0.13 -1.63 -0.01 0.00 -1.15 0.00 0.00 33.47 30.56 1krx s TRP 7 CO 0.01 -0.12 -0.16 0.08 0.02 0.00 0.00 176.95 176.78 1krx s VAL 8 N -0.25 1.31 -0.18 4.03 1.01 0.11 0.56 120.40 126.99 1krx s VAL 8 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1krx s VAL 8 Cb -0.13 -1.11 0.04 0.00 0.00 0.00 0.00 36.38 35.18 1krx s VAL 8 CO 0.03 0.37 -0.10 -0.69 0.00 0.00 0.00 175.10 174.72 1krx s VAL 9 N -0.21 1.48 0.00 2.92 1.01 0.71 -0.66 120.40 125.66 1krx s VAL 9 Ca 0.02 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1krx s VAL 9 Cb -0.08 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1krx s VAL 9 CO 0.00 0.21 0.00 -0.67 0.00 0.00 0.00 175.10 174.64 1krx n ASP 10 N 4.75 0.21 0.00 3.32 -0.08 -1.11 0.12 116.55 123.76 1krx n ASP 10 Ca -0.14 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.18 1krx n ASP 10 Cb 0.47 0.00 0.26 0.00 2.34 0.00 0.00 41.12 44.19 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 -1.26 -4.02 116.55 114.97 1krx n ASP 11 Ca 0.00 -0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1krx n ASP 11 Cb 0.00 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 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 -1.15 0.00 0.00 1.67 -0.08 -1.26 -4.63 116.55 111.10 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 -0.24 0.12 0.00 0.00 177.20 177.08 1krx n SER 13 N -0.16 0.00 0.04 1.67 2.88 -1.26 0.47 113.62 117.26 1krx n SER 13 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 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 -1.28 -1.23 0.00 0.00 175.04 172.53 1krx h SER 14 N 0.00 -0.01 -0.09 -3.46 0.87 -2.01 -0.40 113.55 108.44 1krx h SER 14 Ca 0.00 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 1krx h SER 14 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1krx h SER 14 CO 0.00 0.01 -0.02 0.40 -0.53 0.00 0.00 176.83 176.69 1krx h ILE 15 N -0.04 1.14 0.44 2.23 1.08 -0.30 -3.01 117.51 119.05 1krx h ILE 15 Ca -0.00 -0.56 -0.02 0.00 -0.39 0.00 0.00 64.86 63.88 1krx h ILE 15 Cb 0.03 1.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1krx h ILE 15 CO 0.00 0.19 -0.21 -0.09 -0.69 0.00 0.00 178.15 177.35 1krx h ARG 16 N 0.29 -0.56 -0.83 2.37 2.43 -1.34 -2.82 114.38 113.92 1krx h ARG 16 Ca 0.07 0.04 0.20 0.00 -0.81 0.00 0.00 59.98 59.47 1krx h ARG 16 Cb 0.23 0.13 -0.12 0.00 -0.42 0.00 0.00 29.97 29.79 1krx h ARG 16 CO 0.01 -0.35 0.26 2.35 -1.51 0.00 0.00 179.97 180.73 1krx h TRP 17 N -1.13 0.41 0.52 2.20 7.01 -1.08 0.92 115.95 124.80 1krx h TRP 17 Ca -0.06 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 60.96 1krx h TRP 17 Cb 0.48 -0.05 0.01 0.00 -2.10 0.00 0.00 29.16 27.49 1krx h TRP 17 CO 0.01 -0.10 -0.25 0.28 -2.79 0.00 0.00 178.44 175.58 1krx h VAL 18 N 0.30 0.00 0.00 2.65 2.07 -1.63 -3.12 116.25 116.52 1krx h VAL 18 Ca 0.50 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.66 1krx h VAL 18 Cb 0.92 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1krx h VAL 18 CO -0.55 0.00 -0.19 -0.07 0.02 0.00 0.00 177.57 176.78 1krx h LEU 19 N -1.02 0.00 0.65 2.57 3.38 -1.24 -1.93 115.31 117.71 1krx h LEU 19 Ca -0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1krx h LEU 19 Cb 0.54 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.30 1krx h LEU 19 CO 0.12 0.19 -0.31 1.05 0.09 0.00 0.00 178.44 179.58 1krx h GLU 20 N 0.00 -0.84 0.28 1.13 4.11 0.82 -2.77 114.58 117.31 1krx h GLU 20 Ca -0.00 0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.47 1krx h GLU 20 Cb 0.48 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1krx h GLU 20 CO 0.02 -0.53 -0.13 0.00 0.07 0.00 0.00 179.01 178.44 1krx h ARG 21 N -1.17 -0.36 -0.64 1.06 2.47 -1.58 -2.81 114.38 111.34 1krx h ARG 21 Ca -0.09 0.02 0.12 0.00 -1.26 0.00 0.00 59.98 58.78 1krx h ARG 21 Cb 0.69 0.08 -0.12 0.00 -1.65 0.00 0.00 29.97 28.97 1krx h ARG 21 CO 0.15 -0.23 -0.25 0.00 0.56 0.00 0.00 179.97 180.20 1krx h ALA 22 N -1.09 0.23 -0.17 0.04 0.00 -1.53 0.39 119.26 117.13 1krx h ALA 22 Ca -0.04 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1krx h ALA 22 Cb 0.29 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1krx h ALA 22 CO 0.06 -0.53 -0.03 1.25 0.00 0.00 0.00 179.25 179.99 1krx h LEU 23 N -0.08 0.22 -1.08 0.00 7.12 -1.63 -1.25 115.31 118.62 1krx h LEU 23 Ca 0.29 -0.03 -0.07 0.00 0.13 0.00 0.00 57.88 58.20 1krx h LEU 23 Cb 0.53 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 40.58 1krx h LEU 23 CO -0.70 0.30 -0.09 0.00 -0.13 0.00 0.00 178.44 177.82 1krx h ALA 24 N 1.73 1.23 0.00 1.25 0.00 -0.02 -1.47 119.26 121.99 1krx h ALA 24 Ca 0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1krx h ALA 24 Cb 0.22 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1krx h ALA 24 CO 0.01 0.50 -0.07 0.78 0.00 0.00 0.00 179.25 180.47 1krx h GLY 25 N 0.92 0.00 2.00 0.00 0.00 0.13 -0.43 103.07 105.69 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 0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.57 1krx h ALA 26 N 1.93 1.00 0.00 3.60 0.00 -1.18 -3.47 119.26 121.14 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 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 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 1.31 3.51 0.00 0.00 -0.17 -5.12 105.19 105.60 1krx n GLY 27 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 2.21 -0.32 0.99 1.02 -1.19 -4.62 118.68 116.76 1krx s LEU 28 Ca 0.00 -1.47 -0.09 0.00 0.02 0.00 0.00 54.13 52.59 1krx s LEU 28 Cb 0.00 -0.39 0.01 0.00 0.02 0.00 0.00 46.19 45.82 1krx s LEU 28 CO 0.00 -0.69 0.14 -0.89 0.02 0.00 0.00 176.35 174.94 1krx s THR 29 N -3.19 4.40 -0.30 5.49 2.01 0.32 -3.60 115.64 120.76 1krx s THR 29 Ca 0.31 -0.62 -0.07 0.00 0.31 0.00 0.00 61.69 61.62 1krx s THR 29 Cb 0.07 -3.31 0.01 0.00 0.01 0.00 0.00 72.50 69.28 1krx s THR 29 CO 0.14 -0.01 0.10 0.00 -0.69 0.00 0.00 174.62 174.16 1krx s THR 31 N 1.51 2.63 0.20 0.00 -1.32 -0.67 -4.32 115.64 113.67 1krx s THR 31 Ca 0.03 -1.90 0.08 0.00 -1.21 0.00 0.00 61.69 58.68 1krx s THR 31 Cb -0.17 -2.28 -0.05 0.00 -1.51 0.00 0.00 72.50 68.49 1krx s THR 31 CO 0.03 -0.11 -0.15 0.42 -2.21 0.00 0.00 174.62 172.60 1krx s THR 32 N -1.68 1.75 0.32 5.08 -4.23 -1.25 0.09 115.64 115.72 1krx s THR 32 Ca 0.22 -2.18 0.03 0.00 -1.18 0.00 0.00 61.69 58.58 1krx s THR 32 Cb -0.08 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 1krx s THR 32 CO 0.12 -0.57 0.14 -0.36 -0.54 0.00 0.00 174.62 173.41 1krx s PHE 33 N -2.87 1.65 0.08 3.99 0.40 0.17 -4.94 117.98 116.46 1krx s PHE 33 Ca 0.22 -1.30 -0.28 0.00 -0.60 0.00 0.00 56.93 54.96 1krx s PHE 33 Cb -0.01 -0.94 -0.17 0.00 0.51 0.00 0.00 43.02 42.41 1krx s PHE 33 CO 0.07 -0.43 1.66 1.05 0.70 0.00 0.00 175.22 178.27 1krx h GLU 34 N 2.16 -0.46 0.00 0.44 -0.00 -1.90 -2.94 114.58 111.89 1krx h GLU 34 Ca -0.35 0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.04 1krx h GLU 34 Cb 1.25 0.10 0.00 0.00 -0.00 0.00 0.00 28.75 30.11 1krx h GLU 34 CO 0.55 -0.29 0.00 0.27 -0.00 0.00 0.00 179.01 179.54 1krx n ASN 35 N -5.29 0.00 0.00 3.06 0.23 -1.26 -4.03 115.26 107.98 1krx n ASN 35 Ca -0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.95 1krx n ASN 35 Cb 0.21 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 1krx n ASN 35 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1krx n GLY 36 N -0.49 0.34 0.35 4.83 0.00 -1.26 -2.41 105.19 106.55 1krx n GLY 36 Ca 0.00 0.06 0.17 0.00 0.00 0.00 0.00 46.02 46.24 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 0.35 1.61 -0.26 -1.97 -2.01 115.58 113.30 1krx h ASN 37 Ca 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.72 1krx h ASN 37 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1krx h ASN 37 CO 0.00 0.00 -0.17 -0.08 -1.06 0.00 0.00 177.43 176.12 1krx h GLU 38 N 0.00 -0.45 -0.91 0.81 4.81 -1.98 -2.80 114.58 114.05 1krx h GLU 38 Ca 0.18 0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.59 1krx h GLU 38 Cb 0.73 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.13 1krx h GLU 38 CO -0.00 -0.23 0.59 0.28 -0.73 0.00 0.00 179.01 178.92 1krx h VAL 39 N -0.59 0.83 -0.79 0.32 2.07 -1.77 -0.19 116.25 116.12 1krx h VAL 39 Ca -0.05 -0.25 0.11 0.00 0.82 0.00 0.00 66.70 67.33 1krx h VAL 39 Cb 0.43 0.05 -0.08 0.00 -1.52 0.00 0.00 31.29 30.17 1krx h VAL 39 CO 0.08 0.13 0.42 -0.07 0.02 0.00 0.00 177.57 178.15 1krx h LEU 40 N 0.72 0.56 -0.13 2.57 3.38 -1.30 1.05 115.31 122.16 1krx h LEU 40 Ca 0.46 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.46 1krx h LEU 40 Cb 0.73 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1krx h LEU 40 CO -0.22 0.30 -0.08 0.00 0.09 0.00 0.00 178.44 178.52 1krx h ALA 41 N 1.47 0.18 -0.35 1.53 0.00 -0.91 -2.93 119.26 118.25 1krx h ALA 41 Ca 0.40 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1krx h ALA 41 Cb 0.44 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1krx h ALA 41 CO -0.29 -0.01 -0.06 0.00 0.00 0.00 0.00 179.25 178.90 1krx h ALA 42 N 0.63 1.25 0.00 0.00 0.00 -0.65 -2.50 119.26 117.99 1krx h ALA 42 Ca 0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1krx h ALA 42 Cb 0.57 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1krx h ALA 42 CO 0.02 0.49 -0.15 -0.07 0.00 0.00 0.00 179.25 179.55 1krx h LEU 43 N 0.53 0.00 -2.32 0.00 3.38 0.12 -2.73 115.31 114.29 1krx h LEU 43 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1krx h LEU 43 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1krx h LEU 43 CO 0.02 0.15 0.14 0.00 0.09 0.00 0.00 178.44 178.84 1krx h ALA 44 N 1.85 1.13 0.00 1.53 0.00 -1.26 -1.82 119.26 120.69 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 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1krx h ALA 44 CO 0.02 -0.13 0.00 0.43 0.00 0.00 0.00 179.25 179.57 1krx n SER 45 N -2.85 0.10 -3.77 0.00 7.64 -1.05 -5.07 113.62 108.63 1krx n SER 45 Ca -0.02 -0.53 -0.10 0.00 1.01 0.00 0.00 58.87 59.23 1krx n SER 45 Cb 0.19 0.84 -0.07 0.00 -1.01 0.00 0.00 64.21 64.17 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 -0.84 0.86 -0.14 1.43 2.20 -0.69 -5.15 119.74 117.41 1krx s LYS 46 Ca 0.00 -0.69 -0.04 0.00 -0.36 0.00 0.00 55.97 54.88 1krx s LYS 46 Cb 0.00 0.37 0.05 0.00 -1.51 0.00 0.00 37.83 36.74 1krx s LYS 46 CO 0.00 -0.29 0.07 0.99 -0.36 0.00 0.00 175.35 175.77 1krx s THR 47 N -3.17 -0.01 0.80 3.43 2.01 -1.26 -4.08 115.64 113.37 1krx s THR 47 Ca -0.01 -0.06 -0.12 0.00 0.31 0.00 0.00 61.69 61.82 1krx s THR 47 Cb 0.01 -0.53 0.07 0.00 0.01 0.00 0.00 72.50 72.07 1krx s THR 47 CO -0.07 -0.15 1.10 -2.16 -0.69 0.00 0.00 174.62 172.65 1krx s PRO 48 N 2.11 2.05 0.37 4.92 0.04 -1.26 -4.96 135.00 138.27 1krx s PRO 48 Ca 0.02 0.57 0.20 0.00 0.04 0.00 0.00 61.00 61.83 1krx s PRO 48 Cb -0.15 -1.92 0.61 0.00 0.04 0.00 0.00 34.50 33.08 1krx s PRO 48 CO -0.07 -1.63 1.69 -0.44 0.04 0.00 0.00 177.00 176.59 1krx h ASP 49 N -1.09 0.00 -5.22 6.66 5.19 -1.32 -3.46 116.42 117.18 1krx h ASP 49 Ca -0.47 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 55.84 1krx h ASP 49 Cb 1.28 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.65 1krx h ASP 49 CO 0.60 0.35 -0.41 0.54 -3.12 0.00 0.00 179.24 177.20 1krx s VAL 50 N -3.47 0.12 -0.10 -1.35 0.11 -1.16 -4.71 120.40 109.84 1krx s VAL 50 Ca 0.01 -1.37 -0.18 0.00 -2.93 0.00 0.00 61.98 57.52 1krx s VAL 50 Cb 0.10 -1.56 0.04 0.00 -1.53 0.00 0.00 36.38 33.43 1krx s VAL 50 CO 0.68 -0.57 0.44 -0.22 -3.33 0.00 0.00 175.10 172.11 1krx s LEU 51 N -2.91 0.31 -0.17 2.54 2.96 0.07 -2.38 118.68 119.09 1krx s LEU 51 Ca 0.10 0.61 -0.00 0.00 -0.22 0.00 0.00 54.13 54.63 1krx s LEU 51 Cb 0.05 1.62 0.04 0.00 0.50 0.00 0.00 46.19 48.40 1krx s LEU 51 CO -0.07 -0.33 -0.07 -0.76 -1.32 0.00 0.00 176.35 173.81 1krx s LEU 52 N -0.50 1.76 -0.02 -0.68 1.43 0.19 0.92 118.68 121.77 1krx s LEU 52 Ca -0.06 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 1krx s LEU 52 Cb -0.03 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.16 1krx s LEU 52 CO 0.03 -0.17 0.02 -0.55 0.23 0.00 0.00 176.35 175.91 1krx s SER 53 N 1.58 5.27 1.09 2.29 0.15 0.20 0.26 113.70 124.53 1krx s SER 53 Ca 0.00 0.06 -0.17 0.00 0.70 0.00 0.00 55.95 56.54 1krx s SER 53 Cb -0.15 -1.43 0.24 0.00 -1.71 0.00 0.00 66.02 62.96 1krx s SER 53 CO -0.08 0.30 1.18 -0.62 1.20 0.00 0.00 173.24 175.22 1krx s ASP 54 N -1.43 1.91 -0.47 5.45 2.15 0.32 -2.72 116.67 121.89 1krx s ASP 54 Ca 0.19 0.57 0.06 0.00 0.43 0.00 0.00 52.55 53.79 1krx s ASP 54 Cb -0.12 -0.79 0.18 0.00 -0.30 0.00 0.00 42.92 41.89 1krx s ASP 54 CO 0.09 -3.50 0.58 -0.51 -0.17 0.00 0.00 175.17 171.65 1krx s ILE 55 N -3.31 -0.55 0.00 4.11 2.07 -1.26 -4.69 121.20 117.57 1krx s ILE 55 Ca 0.71 -1.41 0.00 0.00 -1.41 0.00 0.00 60.65 58.54 1krx s ILE 55 Cb -0.09 -0.42 0.00 0.00 0.13 0.00 0.00 42.46 42.08 1krx s ILE 55 CO 0.55 -0.42 0.00 -2.11 -1.91 0.00 0.00 174.94 171.05 1krx n ARG 56 N 3.13 0.00 0.16 3.50 1.85 -0.83 -4.49 116.66 119.98 1krx n ARG 56 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.05 1krx n ARG 56 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 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 -0.22 2.89 1.56 0.30 -4.98 117.12 116.67 1krx n MET 57 Ca 0.00 0.00 -0.18 0.00 -0.27 0.00 0.00 57.70 57.25 1krx n MET 57 Cb 0.00 0.00 0.17 0.00 2.15 0.00 0.00 33.22 35.54 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 -3.15 -2.99 0.00 2.12 -0.04 -0.89 -4.82 135.00 125.23 1krx n PRO 58 Ca 0.00 -0.85 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 1krx n PRO 58 Cb 0.00 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 1krx n PRO 58 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1krx n GLY 59 N -3.01 -3.07 2.61 0.55 0.00 -1.26 -2.71 105.19 98.30 1krx n GLY 59 Ca 0.08 0.33 -0.22 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.52 2.08 0.00 1.61 0.00 -1.26 -4.74 117.12 113.28 1krx n MET 60 Ca 0.00 -1.45 0.00 0.00 -0.00 0.00 0.00 57.70 56.25 1krx n MET 60 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 33.22 30.78 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 4.18 0.00 0.00 6.12 8.00 -1.10 -1.57 116.55 132.19 1krx n ASP 61 Ca 0.44 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.94 1krx n ASP 61 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 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 0.08 0.35 0.44 0.00 -1.26 0.11 105.19 104.91 1krx n GLY 62 Ca 0.00 -0.05 0.18 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.42 0.99 4.07 -1.56 0.88 115.31 118.26 1krx h LEU 63 Ca 0.00 0.00 0.12 0.00 0.08 0.00 0.00 57.88 58.08 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 1.62 1.88 -0.95 1.53 0.00 -1.87 -0.16 119.26 121.30 1krx h ALA 64 Ca 0.09 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1krx h ALA 64 Cb 0.65 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1krx h ALA 64 CO -0.00 -0.06 0.62 1.25 0.00 0.00 0.00 179.25 181.06 1krx h LEU 65 N 0.62 1.03 -0.72 0.00 7.12 -1.14 -1.63 115.31 120.59 1krx h LEU 65 Ca 0.37 -0.01 0.04 0.00 0.13 0.00 0.00 57.88 58.42 1krx h LEU 65 Cb 0.60 -0.23 -0.05 0.00 -0.53 0.00 0.00 40.66 40.45 1krx h LEU 65 CO -0.14 0.70 0.44 -0.07 -0.13 0.00 0.00 178.44 179.23 1krx h LEU 66 N 1.19 0.70 -0.61 2.25 -0.00 -1.15 -0.43 115.31 117.25 1krx h LEU 66 Ca 0.38 0.01 0.08 0.00 -0.00 0.00 0.00 57.88 58.35 1krx h LEU 66 Cb 0.03 -0.14 -0.06 0.00 -0.00 0.00 0.00 40.66 40.49 1krx h LEU 66 CO -0.13 0.47 0.28 0.50 -0.00 0.00 0.00 178.44 179.56 1krx h LYS 67 N 0.83 0.49 -0.26 1.13 3.64 -1.17 -0.70 116.57 120.53 1krx h LYS 67 Ca 0.30 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.57 1krx h LYS 67 Cb 0.09 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1krx h LYS 67 CO -0.14 0.32 -0.18 1.96 -2.27 0.00 0.00 179.45 179.15 1krx h GLN 68 N 0.51 0.46 -0.53 1.90 1.08 -0.97 -2.58 115.11 114.98 1krx h GLN 68 Ca 0.29 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1krx h GLN 68 Cb 0.29 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.65 1krx h GLN 68 CO -0.24 0.63 0.35 0.82 -0.95 0.00 0.00 178.83 179.43 1krx h ILE 69 N 0.42 1.14 0.00 2.54 2.04 0.37 -0.55 117.51 123.48 1krx h ILE 69 Ca 0.07 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1krx h ILE 69 Cb 0.56 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1krx h ILE 69 CO 0.04 0.14 -0.10 0.07 0.00 0.00 0.00 178.15 178.29 1krx h LYS 70 N 0.72 0.00 0.11 2.37 2.10 -1.23 0.31 116.57 120.95 1krx h LYS 70 Ca 0.19 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.55 1krx h LYS 70 Cb -0.07 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.25 1krx h LYS 70 CO -0.04 0.10 -1.41 0.37 -2.00 0.00 0.00 179.45 176.47 1krx h GLN 71 N 0.00 0.24 0.00 0.07 4.15 -1.00 -3.39 115.11 115.17 1krx h GLN 71 Ca -0.00 -0.41 -0.38 0.00 0.77 0.00 0.00 58.65 58.63 1krx h GLN 71 Cb 0.82 0.15 -0.07 0.00 0.21 0.00 0.00 27.48 28.59 1krx h GLN 71 CO 0.01 1.13 -2.45 0.54 -1.93 0.00 0.00 178.83 176.13 1krx n ARG 72 N -3.46 0.64 -3.98 1.69 5.12 -0.27 -4.99 116.66 111.40 1krx n ARG 72 Ca -0.13 0.14 -0.29 0.00 -1.93 0.00 0.00 57.85 55.64 1krx n ARG 72 Cb 1.03 -1.51 -0.05 0.00 -1.16 0.00 0.00 32.46 30.78 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 -2.51 3.38 -0.54 -1.55 0.09 0.11 -5.03 115.29 109.24 1krx s HIS 73 Ca -0.34 0.14 -0.18 0.00 -0.00 0.00 0.00 55.06 54.68 1krx s HIS 73 Cb 0.09 -1.67 0.09 0.00 -0.00 0.00 0.00 32.58 31.09 1krx s HIS 73 CO 0.59 0.55 0.60 -1.25 -0.00 0.00 0.00 174.74 175.23 1krx s PRO 74 N -2.72 3.04 -1.52 8.40 0.04 -1.26 -4.23 135.00 136.74 1krx s PRO 74 Ca 0.33 -1.28 -0.01 0.00 0.04 0.00 0.00 61.00 60.08 1krx s PRO 74 Cb -0.12 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1krx s PRO 74 CO 0.26 -1.34 0.07 -1.33 0.04 0.00 0.00 177.00 174.71 1krx n MET 75 N 5.92 -2.21 -1.86 4.56 2.81 -1.23 -4.88 117.12 120.23 1krx n MET 75 Ca -0.10 0.86 -0.43 0.00 -1.81 0.00 0.00 57.70 56.22 1krx n MET 75 Cb 0.43 -5.52 -0.03 0.00 -0.71 0.00 0.00 33.22 27.39 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 -5.99 3.60 -0.10 4.03 1.98 -1.26 -4.69 118.68 116.26 1krx s LEU 76 Ca 0.04 1.65 -0.31 0.00 -2.89 0.00 0.00 54.13 52.62 1krx s LEU 76 Cb -0.02 -3.52 -0.09 0.00 0.66 0.00 0.00 46.19 43.22 1krx s LEU 76 CO 0.05 -1.68 2.04 -2.65 -1.89 0.00 0.00 176.35 172.22 1krx n PRO 77 N 8.37 2.28 -4.31 0.98 -0.02 -1.25 -4.22 135.00 136.83 1krx n PRO 77 Ca 0.24 0.77 -0.29 0.00 -2.02 0.00 0.00 63.50 62.21 1krx n PRO 77 Cb 0.45 -2.94 -0.11 0.00 -0.02 0.00 0.00 33.50 30.89 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 5.73 2.84 -0.05 -1.45 1.01 -1.25 -0.75 120.40 126.48 1krx s VAL 78 Ca 0.95 -1.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 1krx s VAL 78 Cb -0.51 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 33.58 1krx s VAL 78 CO 0.43 0.05 0.06 -0.63 0.00 0.00 0.00 175.10 175.01 1krx s ILE 79 N -1.27 -0.07 0.18 2.22 1.09 0.26 0.40 121.20 124.01 1krx s ILE 79 Ca 0.19 0.36 -0.06 0.00 -1.10 0.00 0.00 60.65 60.04 1krx s ILE 79 Cb -0.10 -0.21 -0.06 0.00 -1.06 0.00 0.00 42.46 41.03 1krx s ILE 79 CO 0.11 0.15 0.45 -0.63 -0.10 0.00 0.00 174.94 174.92 1krx s ILE 80 N 2.15 5.07 -0.01 2.92 -1.09 -1.13 0.59 121.20 129.71 1krx s ILE 80 Ca 0.05 0.18 0.11 0.00 -2.23 0.00 0.00 60.65 58.76 1krx s ILE 80 Cb -0.12 -3.63 -0.12 0.00 -1.58 0.00 0.00 42.46 37.01 1krx s ILE 80 CO -0.04 -0.03 1.21 0.00 -1.23 0.00 0.00 174.94 174.85 1krx h MET 81 N 2.63 0.00 -4.84 2.79 -0.00 -1.69 1.83 114.93 115.65 1krx h MET 81 Ca -0.46 0.00 -0.28 0.00 -0.00 0.00 0.00 59.70 58.95 1krx h MET 81 Cb 1.17 0.00 -0.16 0.00 -0.00 0.00 0.00 31.60 32.60 1krx h MET 81 CO 0.71 0.70 -0.72 0.99 -0.00 0.00 0.00 176.91 178.60 1krx s THR 82 N -2.80 0.86 -0.42 -0.10 2.01 0.38 0.20 115.64 115.78 1krx s THR 82 Ca 0.01 -1.77 0.09 0.00 0.31 0.00 0.00 61.69 60.32 1krx s THR 82 Cb 0.09 -1.50 0.32 0.00 0.01 0.00 0.00 72.50 71.42 1krx s THR 82 CO 0.80 -0.69 0.86 0.00 -0.69 0.00 0.00 174.62 174.90 1krx n ALA 83 N 0.29 0.74 -1.53 7.40 0.00 -1.13 -4.62 120.51 121.66 1krx n ALA 83 Ca -0.14 -2.53 0.00 0.00 0.00 0.00 0.00 53.44 50.77 1krx n ALA 83 Cb 0.59 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 0.58 0.00 -2.12 0.00 1.44 -1.26 -4.85 115.22 109.00 1krx n HIS 84 Ca 0.16 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.58 1krx n HIS 84 Cb 0.66 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.77 1krx n HIS 84 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1krx s SER 85 N -1.00 6.19 -1.16 4.39 0.15 -1.26 -3.88 113.70 117.12 1krx s SER 85 Ca 0.00 1.23 0.00 0.00 0.70 0.00 0.00 55.95 57.88 1krx s SER 85 Cb 0.00 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1krx s SER 85 CO 0.00 -0.81 0.00 0.47 1.20 0.00 0.00 173.24 174.10 1krx n ASP 86 N -2.60 -5.42 0.09 5.45 9.92 -1.26 -4.82 116.55 117.91 1krx n ASP 86 Ca 0.04 0.27 0.18 0.00 -0.53 0.00 0.00 54.79 54.76 1krx n ASP 86 Cb 0.55 -3.88 0.56 0.00 -0.64 0.00 0.00 41.12 37.70 1krx n ASP 86 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1krx h LEU 87 N 0.00 0.00 -0.66 0.64 6.46 -1.89 -1.84 115.31 118.02 1krx h LEU 87 Ca -0.22 0.00 0.14 0.00 -0.12 0.00 0.00 57.88 57.68 1krx h LEU 87 Cb 1.08 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 40.90 1krx h LEU 87 CO 0.33 0.00 -0.01 0.44 -0.62 0.00 0.00 178.44 178.58 1krx h ASP 88 N 0.00 -0.32 0.46 1.25 5.19 -1.92 0.28 116.42 121.35 1krx h ASP 88 Ca 0.21 0.17 -0.00 0.00 -0.62 0.00 0.00 57.03 56.79 1krx h ASP 88 Cb 1.67 0.30 -0.00 0.00 0.18 0.00 0.00 39.33 41.48 1krx h ASP 88 CO -0.00 -0.14 -0.01 0.00 -3.12 0.00 0.00 179.24 175.96 1krx h ALA 89 N 1.61 1.03 -0.46 3.45 0.00 -1.69 -2.53 119.26 120.67 1krx h ALA 89 Ca 0.35 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.28 1krx h ALA 89 Cb 0.58 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1krx h ALA 89 CO -0.58 0.02 0.30 0.00 0.00 0.00 0.00 179.25 178.99 1krx h ALA 90 N 1.99 1.83 -0.37 0.00 0.00 -0.59 -0.91 119.26 121.21 1krx h ALA 90 Ca -0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1krx h ALA 90 Cb 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1krx h ALA 90 CO 0.00 0.11 -0.21 0.28 0.00 0.00 0.00 179.25 179.44 1krx h VAL 91 N 0.48 1.27 0.00 0.00 2.07 -1.52 -1.72 116.25 116.83 1krx h VAL 91 Ca 0.19 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 1krx h VAL 91 Cb 0.15 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1krx h VAL 91 CO -0.05 0.43 -0.00 0.28 0.02 0.00 0.00 177.57 178.25 1krx h SER 92 N 0.63 0.00 0.08 0.57 0.02 -1.30 -2.36 113.55 111.20 1krx h SER 92 Ca 0.09 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1krx h SER 92 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1krx h SER 92 CO 0.05 0.00 -0.04 0.00 -1.14 0.00 0.00 176.83 175.70 1krx h ALA 93 N 2.00 -0.11 -0.43 3.77 0.00 -1.06 -1.98 119.26 121.44 1krx h ALA 93 Ca -0.00 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1krx h ALA 93 Cb 0.17 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1krx h ALA 93 CO 0.00 -0.17 0.29 1.88 0.00 0.00 0.00 179.25 181.25 1krx h TYR 94 N -0.89 0.49 -0.06 0.00 0.05 -1.31 1.45 116.97 116.68 1krx h TYR 94 Ca -0.01 0.01 -0.23 0.00 0.05 0.00 0.00 58.73 58.55 1krx h TYR 94 Cb 0.57 -0.16 0.01 0.00 1.01 0.00 0.00 36.73 38.16 1krx h TYR 94 CO 0.13 0.29 -0.88 -0.56 -1.05 0.00 0.00 178.16 176.09 1krx h GLN 95 N 0.51 0.61 0.00 4.88 -0.00 -1.51 -3.10 115.11 116.50 1krx h GLN 95 Ca 0.17 -0.57 0.00 0.00 -0.00 0.00 0.00 58.65 58.25 1krx h GLN 95 Cb 0.05 0.14 0.00 0.00 -0.00 0.00 0.00 27.48 27.67 1krx h GLN 95 CO -0.04 1.19 0.00 -0.56 -0.00 0.00 0.00 178.83 179.42 1krx h GLN 96 N 0.38 0.00 0.00 0.06 -0.00 -0.60 -3.46 115.11 111.50 1krx h GLN 96 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.58 1krx h GLN 96 Cb 1.50 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.98 1krx h GLN 96 CO 0.17 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.41 1krx n GLY 97 N 0.54 0.12 3.71 0.06 0.00 -0.24 -3.48 105.19 105.90 1krx n GLY 97 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1krx n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1krx n ALA 98 N 0.00 1.08 -0.04 4.61 0.00 0.48 -3.74 120.51 122.90 1krx n ALA 98 Ca 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 1krx n ALA 98 Cb 0.00 -2.29 -0.09 0.00 0.00 0.00 0.00 19.45 17.07 1krx n ALA 98 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1krx h PHE 99 N 0.76 -0.04 -0.62 0.00 3.57 -0.35 -3.37 116.94 116.89 1krx h PHE 99 Ca -0.50 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 60.99 1krx h PHE 99 Cb 1.34 0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.09 1krx h PHE 99 CO 0.41 0.60 0.00 -0.40 -2.23 0.00 0.00 178.31 176.70 1krx n ASP 100 N -4.72 0.00 -4.15 0.41 5.68 -1.17 -4.96 116.55 107.64 1krx n ASP 100 Ca -0.07 -0.62 -0.23 0.00 -0.50 0.00 0.00 54.79 53.37 1krx n ASP 100 Cb 0.32 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.15 1krx n ASP 100 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1krx s TYR 101 N -2.01 1.45 -0.00 2.11 1.51 -1.26 -2.82 117.35 116.32 1krx s TYR 101 Ca 0.00 -0.29 -0.01 0.00 -1.01 0.00 0.00 57.07 55.75 1krx s TYR 101 Cb 0.00 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 40.90 1krx s TYR 101 CO 0.00 -0.00 0.13 -1.17 -1.11 0.00 0.00 175.55 173.39 1krx s LEU 102 N -0.57 4.11 0.16 -1.29 2.96 0.62 -4.91 118.68 119.76 1krx s LEU 102 Ca 0.06 0.23 -0.10 0.00 -0.22 0.00 0.00 54.13 54.10 1krx s LEU 102 Cb -0.07 -2.44 -0.00 0.00 0.50 0.00 0.00 46.19 44.18 1krx s LEU 102 CO -0.00 0.26 1.52 1.55 -1.32 0.00 0.00 176.35 178.36 1krx h PRO 103 N 3.94 0.96 0.00 0.98 0.13 -1.75 0.11 132.00 136.37 1krx h PRO 103 Ca -0.49 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.19 1krx h PRO 103 Cb 1.18 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1krx h PRO 103 CO 0.65 1.12 0.00 1.17 -0.23 0.00 0.00 178.00 180.71 1krx n LYS 104 N -4.09 0.00 -0.84 0.86 0.00 0.53 -3.95 118.16 110.67 1krx n LYS 104 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 58.31 57.96 1krx n LYS 104 Cb 0.50 0.00 0.10 0.00 0.00 0.00 0.00 35.03 35.63 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 -4.79 135.00 130.02 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 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 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 -0.29 0.54 -0.00 -1.26 -4.92 117.46 107.98 1krx n PHE 106 Ca 0.02 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.48 1krx n PHE 106 Cb 0.60 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 -0.65 -0.01 -2.13 5.75 -1.26 -0.81 116.55 117.44 1krx n ASP 107 Ca 0.00 0.07 -0.13 0.00 -0.01 0.00 0.00 54.79 54.72 1krx n ASP 107 Cb 0.00 -0.42 -0.09 0.00 -1.03 0.00 0.00 41.12 39.58 1krx n ASP 107 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1krx h ILE 108 N -0.06 1.32 -0.13 2.12 5.03 -1.96 0.43 117.51 124.25 1krx h ILE 108 Ca 0.00 -0.96 0.04 0.00 -0.12 0.00 0.00 64.86 63.83 1krx h ILE 108 Cb 0.06 1.92 -0.07 0.00 -3.03 0.00 0.00 36.82 35.70 1krx h ILE 108 CO 0.00 0.25 -0.45 -0.78 -0.68 0.00 0.00 178.15 176.49 1krx h ASP 109 N -0.34 -1.41 0.83 1.72 3.58 -1.98 0.96 116.42 119.77 1krx h ASP 109 Ca 0.01 0.18 -0.17 0.00 0.42 0.00 0.00 57.03 57.47 1krx h ASP 109 Cb 0.42 0.57 -0.02 0.00 1.72 0.00 0.00 39.33 42.01 1krx h ASP 109 CO 0.00 -0.44 -0.82 -0.33 -2.88 0.00 0.00 179.24 174.77 1krx h GLU 110 N -0.52 0.00 0.00 0.28 4.39 -1.33 -2.78 114.58 114.63 1krx h GLU 110 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1krx h GLU 110 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1krx h GLU 110 CO -0.41 0.82 -0.15 0.00 -1.16 0.00 0.00 179.01 178.11 1krx h ALA 111 N 1.18 0.00 -0.94 3.43 0.00 0.12 -3.07 119.26 119.97 1krx h ALA 111 Ca -0.01 -0.16 0.24 0.00 0.00 0.00 0.00 54.91 54.98 1krx h ALA 111 Cb 1.45 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.33 1krx h ALA 111 CO 0.11 0.15 0.64 0.28 0.00 0.00 0.00 179.25 180.43 1krx h VAL 112 N -0.96 0.60 0.09 0.00 2.07 0.82 0.85 116.25 119.71 1krx h VAL 112 Ca 0.00 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1krx h VAL 112 Cb 0.15 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1krx h VAL 112 CO 0.00 0.05 -0.05 0.00 0.02 0.00 0.00 177.57 177.59 1krx h ALA 113 N 1.59 -0.13 0.00 1.67 0.00 -1.50 -1.50 119.26 119.38 1krx h ALA 113 Ca 0.49 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1krx h ALA 113 Cb 1.43 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1krx h ALA 113 CO -0.15 -0.58 -0.03 1.25 0.00 0.00 0.00 179.25 179.75 1krx h LEU 114 N -0.14 0.00 0.03 0.00 5.85 -0.30 -3.16 115.31 117.58 1krx h LEU 114 Ca -0.01 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1krx h LEU 114 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1krx h LEU 114 CO 0.01 0.03 -0.17 1.62 -0.34 0.00 0.00 178.44 179.58 1krx h VAL 115 N 0.00 1.71 -0.29 1.05 3.04 0.84 -2.91 116.25 119.70 1krx h VAL 115 Ca -0.00 -2.32 -0.01 0.00 -1.01 0.00 0.00 66.70 63.37 1krx h VAL 115 Cb 0.86 3.27 -0.01 0.00 -2.01 0.00 0.00 31.29 33.40 1krx h VAL 115 CO 0.00 0.61 0.15 -0.33 -1.01 0.00 0.00 177.57 177.00 1krx h GLU 116 N -0.82 0.41 0.00 4.17 5.08 -1.40 -1.65 114.58 120.36 1krx h GLU 116 Ca -0.03 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1krx h GLU 116 Cb 1.11 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 1krx h GLU 116 CO 0.03 0.37 -0.07 0.07 -1.00 0.00 0.00 179.01 178.42 1krx h ARG 117 N 0.34 0.00 0.04 2.33 0.11 -1.69 -0.64 114.38 114.86 1krx h ARG 117 Ca 0.10 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.18 1krx h ARG 117 Cb 0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.17 1krx h ARG 117 CO -0.01 0.07 -0.02 0.00 0.10 0.00 0.00 179.97 180.11 1krx h ALA 118 N 1.93 -0.05 -0.05 0.08 0.00 -1.12 -1.68 119.26 118.38 1krx h ALA 118 Ca -0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1krx h ALA 118 Cb 0.25 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1krx h ALA 118 CO 0.01 -0.21 -0.35 0.82 0.00 0.00 0.00 179.25 179.52 1krx h ILE 119 N -0.68 1.27 -0.33 0.00 2.04 -1.07 -0.60 117.51 118.13 1krx h ILE 119 Ca -0.01 -1.28 -0.15 0.00 1.00 0.00 0.00 64.86 64.42 1krx h ILE 119 Cb 0.61 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1krx h ILE 119 CO 0.01 0.37 -0.39 0.28 0.00 0.00 0.00 178.15 178.42 1krx h SER 120 N 0.08 0.92 1.24 1.72 0.02 -1.15 0.18 113.55 116.56 1krx h SER 120 Ca 0.01 -0.48 -0.09 0.00 -0.84 0.00 0.00 61.79 60.38 1krx h SER 120 Cb 0.67 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1krx h SER 120 CO 0.05 1.22 -0.44 0.45 -1.14 0.00 0.00 176.83 176.97 1krx h HIS 121 N 0.64 0.00 0.00 3.45 3.86 -1.07 -3.17 115.15 118.86 1krx h HIS 121 Ca 0.05 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.14 1krx h HIS 121 Cb 0.98 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.43 1krx h HIS 121 CO 0.07 0.44 -1.04 1.88 0.86 0.00 0.00 177.93 180.14 1krx h TYR 122 N 0.00 0.00 -3.17 2.45 0.05 -1.00 -3.48 116.97 111.82 1krx h TYR 122 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 1krx h TYR 122 Cb 1.18 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.78 1krx h TYR 122 CO 0.00 0.45 0.02 -1.14 -1.05 0.00 0.00 178.16 176.44 1krx s GLN 123 N -3.01 1.12 0.00 4.88 0.74 0.63 -5.06 119.66 118.95 1krx s GLN 123 Ca -0.00 -0.55 0.00 0.00 0.05 0.00 0.00 55.36 54.86 1krx s GLN 123 Cb 0.08 0.50 0.00 0.00 1.10 0.00 0.00 33.01 34.70 1krx s GLN 123 CO 0.78 -0.45 0.00 -1.91 -0.55 0.00 0.00 175.29 173.17