#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1krx s GLN 2 N 0.00 3.70 0.00 3.17 1.11 -1.26 -4.96 119.66 121.42 1krx s GLN 2 Ca 0.00 0.33 0.18 0.00 0.01 0.00 0.00 55.36 55.88 1krx s GLN 2 Cb 0.00 -2.43 1.07 0.00 -1.01 0.00 0.00 33.01 30.64 1krx s GLN 2 CO 0.00 -0.03 1.56 2.89 0.01 0.00 0.00 175.29 179.72 1krx n ARG 3 N -1.45 0.79 -1.95 2.91 1.85 -1.26 -4.91 116.66 112.64 1krx n ARG 3 Ca 0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.84 1krx n ARG 3 Cb 0.54 -1.36 0.00 0.00 -1.05 0.00 0.00 32.46 30.60 1krx n ARG 3 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1krx n GLY 4 N 0.50 -1.48 3.25 2.89 0.00 -1.26 -4.68 105.19 104.41 1krx n GLY 4 Ca 0.14 0.27 -0.34 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.31 2.88 -0.20 -0.61 1.09 -1.26 -0.77 121.20 121.01 1krx s ILE 5 Ca 0.06 -0.67 -0.02 0.00 -1.10 0.00 0.00 60.65 58.93 1krx s ILE 5 Cb -0.02 -2.27 -0.00 0.00 -1.06 0.00 0.00 42.46 39.11 1krx s ILE 5 CO 0.26 0.47 -0.09 0.54 -0.10 0.00 0.00 174.94 176.02 1krx s VAL 6 N 1.31 3.00 -0.09 2.92 0.11 0.17 -0.24 120.40 127.57 1krx s VAL 6 Ca 0.04 -0.62 0.00 0.00 -2.93 0.00 0.00 61.98 58.46 1krx s VAL 6 Cb -0.14 -2.34 -0.03 0.00 -1.53 0.00 0.00 36.38 32.35 1krx s VAL 6 CO -0.06 0.46 -0.08 0.26 -3.33 0.00 0.00 175.10 172.36 1krx s TRP 7 N 1.34 2.91 -0.03 1.54 0.52 -1.05 -2.06 118.94 122.11 1krx s TRP 7 Ca 0.04 -0.16 0.06 0.00 0.02 0.00 0.00 56.10 56.07 1krx s TRP 7 Cb -0.14 -1.77 -0.01 0.00 -1.15 0.00 0.00 33.47 30.39 1krx s TRP 7 CO -0.05 0.16 -0.23 0.08 0.02 0.00 0.00 176.95 176.93 1krx s VAL 8 N -0.39 1.83 -0.21 4.03 1.01 0.14 -0.76 120.40 126.06 1krx s VAL 8 Ca 0.05 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1krx s VAL 8 Cb -0.12 -1.54 0.04 0.00 0.00 0.00 0.00 36.38 34.76 1krx s VAL 8 CO 0.02 0.52 -0.14 -0.69 0.00 0.00 0.00 175.10 174.81 1krx s VAL 9 N -0.34 1.95 0.00 2.92 1.01 0.41 -1.09 120.40 125.26 1krx s VAL 9 Ca 0.03 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.84 1krx s VAL 9 Cb -0.11 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1krx s VAL 9 CO 0.01 0.25 0.00 -0.67 0.00 0.00 0.00 175.10 174.69 1krx n ASP 10 N 4.58 0.00 0.00 3.32 -0.08 -1.12 0.13 116.55 123.38 1krx n ASP 10 Ca -0.17 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.16 1krx n ASP 10 Cb 0.46 0.00 0.27 0.00 2.34 0.00 0.00 41.12 44.19 1krx n ASP 10 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1krx n ASP 11 N 0.00 0.00 0.00 1.67 8.00 -1.26 -4.00 116.55 120.96 1krx n ASP 11 Ca 0.00 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1krx n ASP 11 Cb 0.00 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 1krx n ASP 11 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1krx n ASP 12 N -1.16 -0.88 0.00 -2.24 2.03 -1.26 -4.69 116.55 108.35 1krx n ASP 12 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1krx n ASP 12 Cb 0.06 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 1krx n ASP 12 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1krx n SER 13 N -2.00 0.00 0.22 1.67 2.88 -1.26 -0.58 113.62 114.55 1krx n SER 13 Ca 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 1krx n SER 13 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1krx n SER 13 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1krx h SER 14 N 0.00 -1.31 0.10 -3.46 0.02 -2.00 0.85 113.55 107.74 1krx h SER 14 Ca 0.00 0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1krx h SER 14 Cb 0.00 0.45 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1krx h SER 14 CO 0.00 -0.59 -0.12 0.40 -1.14 0.00 0.00 176.83 175.38 1krx h ILE 15 N -0.86 1.11 -0.06 3.27 1.08 -1.18 -2.69 117.51 118.20 1krx h ILE 15 Ca -0.03 -0.52 -0.05 0.00 -0.39 0.00 0.00 64.86 63.86 1krx h ILE 15 Cb 0.79 1.22 0.00 0.00 -3.07 0.00 0.00 36.82 35.76 1krx h ILE 15 CO -0.13 0.15 -0.17 -0.09 -0.69 0.00 0.00 178.15 177.22 1krx h ARG 16 N 0.06 0.22 -0.89 2.37 2.43 -1.26 -2.03 114.38 115.27 1krx h ARG 16 Ca 0.01 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1krx h ARG 16 Cb 0.26 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 1krx h ARG 16 CO 0.02 0.77 0.57 2.35 -1.51 0.00 0.00 179.97 182.17 1krx h TRP 17 N -0.30 1.15 -0.07 2.20 7.01 0.88 0.83 115.95 127.63 1krx h TRP 17 Ca -0.00 0.01 -0.17 0.00 2.11 0.00 0.00 58.89 60.84 1krx h TRP 17 Cb 0.79 -0.38 0.01 0.00 -2.10 0.00 0.00 29.16 27.47 1krx h TRP 17 CO 0.13 0.74 -0.60 0.28 -2.79 0.00 0.00 178.44 176.20 1krx h VAL 18 N 1.22 1.37 0.00 2.65 2.07 -1.56 -3.10 116.25 118.90 1krx h VAL 18 Ca 0.32 -1.94 -0.14 0.00 0.82 0.00 0.00 66.70 65.77 1krx h VAL 18 Cb -0.10 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1krx h VAL 18 CO -0.07 0.58 -0.64 -0.07 0.02 0.00 0.00 177.57 177.39 1krx h LEU 19 N 0.13 0.00 0.60 2.57 -0.00 -1.21 -2.77 115.31 114.63 1krx h LEU 19 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.80 1krx h LEU 19 Cb 1.26 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.93 1krx h LEU 19 CO 0.12 0.64 -0.29 1.05 -0.00 0.00 0.00 178.44 179.97 1krx h GLU 20 N 0.00 -0.78 0.35 1.13 4.11 0.62 -2.84 114.58 117.17 1krx h GLU 20 Ca -0.01 0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.46 1krx h GLU 20 Cb 1.35 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.78 1krx h GLU 20 CO 0.08 -0.51 -0.17 0.00 0.07 0.00 0.00 179.01 178.49 1krx h ARG 21 N -1.20 -0.45 -0.31 1.06 2.47 -1.67 -1.74 114.38 112.54 1krx h ARG 21 Ca -0.08 0.03 0.07 0.00 -1.26 0.00 0.00 59.98 58.74 1krx h ARG 21 Cb 0.63 0.10 -0.07 0.00 -1.65 0.00 0.00 29.97 28.98 1krx h ARG 21 CO 0.14 -0.13 -0.16 0.00 0.56 0.00 0.00 179.97 180.38 1krx h ALA 22 N -0.49 0.08 0.00 0.04 0.00 -1.66 0.16 119.26 117.38 1krx h ALA 22 Ca -0.05 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1krx h ALA 22 Cb 0.53 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1krx h ALA 22 CO 0.08 -0.55 -0.12 1.25 0.00 0.00 0.00 179.25 179.91 1krx h LEU 23 N -0.12 0.00 -0.72 0.00 5.85 -1.60 -1.86 115.31 116.86 1krx h LEU 23 Ca 0.16 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.76 1krx h LEU 23 Cb 0.36 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1krx h LEU 23 CO -0.38 0.12 -0.28 0.00 -0.34 0.00 0.00 178.44 177.56 1krx h ALA 24 N 1.88 0.90 0.00 1.25 0.00 0.20 -2.01 119.26 121.47 1krx h ALA 24 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1krx h ALA 24 Cb 0.46 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1krx h ALA 24 CO 0.02 0.62 -0.05 0.78 0.00 0.00 0.00 179.25 180.62 1krx h GLY 25 N 0.99 0.00 2.00 0.00 0.00 -0.28 0.57 103.07 106.36 1krx h GLY 25 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1krx h GLY 25 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.60 1krx h ALA 26 N 1.95 1.00 0.00 3.60 0.00 -1.34 -3.47 119.26 121.00 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 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 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 1.08 1.53 3.51 0.00 0.00 0.19 -5.11 105.19 106.38 1krx n GLY 27 Ca 0.05 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 2.38 -0.45 0.99 1.02 -1.17 -4.80 118.68 116.64 1krx s LEU 28 Ca 0.00 -1.39 -0.14 0.00 0.02 0.00 0.00 54.13 52.62 1krx s LEU 28 Cb 0.00 -0.53 0.07 0.00 0.02 0.00 0.00 46.19 45.75 1krx s LEU 28 CO 0.00 -0.58 0.35 -0.89 0.02 0.00 0.00 176.35 175.26 1krx s THR 29 N -3.12 5.03 -0.34 5.49 2.01 0.05 -4.18 115.64 120.58 1krx s THR 29 Ca 0.35 -1.07 -0.11 0.00 0.31 0.00 0.00 61.69 61.17 1krx s THR 29 Cb 0.09 -3.98 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 1krx s THR 29 CO 0.16 -0.52 0.20 0.00 -0.69 0.00 0.00 174.62 173.77 1krx s THR 31 N 1.66 1.86 0.31 0.00 -1.32 -0.87 -4.54 115.64 112.73 1krx s THR 31 Ca 0.05 -1.63 0.09 0.00 -1.21 0.00 0.00 61.69 58.99 1krx s THR 31 Cb -0.18 -1.69 -0.06 0.00 -1.51 0.00 0.00 72.50 69.07 1krx s THR 31 CO 0.08 -0.04 -0.10 0.42 -2.21 0.00 0.00 174.62 172.77 1krx s THR 32 N -1.20 2.08 0.31 5.08 -4.23 -1.25 0.27 115.64 116.70 1krx s THR 32 Ca 0.09 -2.22 0.04 0.00 -1.18 0.00 0.00 61.69 58.42 1krx s THR 32 Cb -0.10 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.21 1krx s THR 32 CO 0.05 -0.29 0.18 -0.36 -0.54 0.00 0.00 174.62 173.66 1krx s PHE 33 N -2.73 1.62 0.07 3.99 0.40 -0.25 -4.93 117.98 116.14 1krx s PHE 33 Ca 0.31 -1.42 -0.31 0.00 -0.60 0.00 0.00 56.93 54.90 1krx s PHE 33 Cb 0.01 -0.84 -0.18 0.00 0.51 0.00 0.00 43.02 42.53 1krx s PHE 33 CO 0.14 -0.58 1.62 1.05 0.70 0.00 0.00 175.22 178.15 1krx h GLU 34 N 2.19 -0.74 0.00 0.44 -0.00 -1.90 -2.97 114.58 111.59 1krx h GLU 34 Ca -0.32 0.05 0.00 0.00 -0.00 0.00 0.00 59.36 59.09 1krx h GLU 34 Cb 1.25 0.17 0.00 0.00 -0.00 0.00 0.00 28.75 30.17 1krx h GLU 34 CO 0.49 -0.48 0.00 0.09 -0.00 0.00 0.00 179.01 179.11 1krx n ASN 35 N -5.41 0.00 0.00 3.06 3.02 -1.26 -4.17 115.26 110.51 1krx n ASN 35 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1krx n ASN 35 Cb 0.32 0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 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 -0.12 -0.08 0.25 7.41 0.00 -1.26 -2.41 105.19 108.98 1krx n GLY 36 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1krx n GLY 36 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1krx h ASN 37 N 0.00 0.00 0.45 1.61 -0.00 -1.97 -2.86 115.58 112.81 1krx h ASN 37 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.28 1krx h ASN 37 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.31 1krx h ASN 37 CO 0.00 0.13 -0.28 -0.08 -0.00 0.00 0.00 177.43 177.20 1krx h GLU 38 N 0.00 -0.67 -1.00 6.67 4.22 -1.98 -2.34 114.58 119.48 1krx h GLU 38 Ca -0.00 0.05 0.21 0.00 0.08 0.00 0.00 59.36 59.70 1krx h GLU 38 Cb 0.26 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 29.56 1krx h GLU 38 CO 0.02 -0.45 0.62 0.28 -2.18 0.00 0.00 179.01 177.30 1krx h VAL 39 N -0.69 0.65 -0.61 0.32 2.07 -1.91 0.93 116.25 117.01 1krx h VAL 39 Ca -0.05 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.27 1krx h VAL 39 Cb 0.57 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1krx h VAL 39 CO 0.05 0.12 0.39 -0.07 0.02 0.00 0.00 177.57 178.08 1krx h LEU 40 N 0.64 0.66 -0.00 2.57 3.38 -1.43 0.82 115.31 121.96 1krx h LEU 40 Ca 0.58 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.54 1krx h LEU 40 Cb 1.07 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1krx h LEU 40 CO -0.36 0.47 -0.00 0.00 0.09 0.00 0.00 178.44 178.64 1krx h ALA 41 N 1.24 0.00 -0.23 1.53 0.00 -0.42 -3.06 119.26 118.34 1krx h ALA 41 Ca 0.23 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1krx h ALA 41 Cb -0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1krx h ALA 41 CO -0.07 -0.28 -0.07 0.00 0.00 0.00 0.00 179.25 178.82 1krx h ALA 42 N 0.58 1.46 0.00 0.00 0.00 -0.95 -1.86 119.26 118.49 1krx h ALA 42 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1krx h ALA 42 Cb 0.43 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1krx h ALA 42 CO 0.00 0.38 -0.04 -0.07 0.00 0.00 0.00 179.25 179.52 1krx h LEU 43 N 0.34 0.00 -2.39 0.00 3.38 0.74 -2.13 115.31 115.26 1krx h LEU 43 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1krx h LEU 43 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1krx h LEU 43 CO 0.02 0.04 0.20 0.00 0.09 0.00 0.00 178.44 178.79 1krx h ALA 44 N 1.96 1.25 -0.00 1.53 0.00 -1.24 -0.86 119.26 121.89 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 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1krx h ALA 44 CO 0.01 -0.21 -0.11 0.43 0.00 0.00 0.00 179.25 179.37 1krx n SER 45 N -3.03 0.62 -3.46 0.00 7.64 -0.81 -5.05 113.62 109.53 1krx n SER 45 Ca -0.02 -0.81 -0.13 0.00 1.01 0.00 0.00 58.87 58.92 1krx n SER 45 Cb 0.26 0.62 -0.03 0.00 -1.01 0.00 0.00 64.21 64.05 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 -0.96 1.22 -0.11 1.43 2.20 -0.33 -5.16 119.74 118.03 1krx s LYS 46 Ca 0.03 -0.37 -0.03 0.00 -0.36 0.00 0.00 55.97 55.24 1krx s LYS 46 Cb 0.03 0.56 0.04 0.00 -1.51 0.00 0.00 37.83 36.95 1krx s LYS 46 CO 0.11 -0.50 0.06 0.99 -0.36 0.00 0.00 175.35 175.65 1krx s THR 47 N -3.29 0.04 0.68 3.43 2.01 -1.26 -4.07 115.64 113.18 1krx s THR 47 Ca -0.01 0.04 -0.10 0.00 0.31 0.00 0.00 61.69 61.93 1krx s THR 47 Cb -0.01 -0.47 0.02 0.00 0.01 0.00 0.00 72.50 72.05 1krx s THR 47 CO -0.09 -0.03 1.05 -2.16 -0.69 0.00 0.00 174.62 172.70 1krx s PRO 48 N 2.09 2.80 -0.05 4.92 0.04 -1.26 -4.96 135.00 138.57 1krx s PRO 48 Ca 0.03 0.30 -0.11 0.00 0.04 0.00 0.00 61.00 61.26 1krx s PRO 48 Cb -0.14 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 1krx s PRO 48 CO -0.06 -0.99 0.46 0.38 0.04 0.00 0.00 177.00 176.83 1krx h ASP 49 N -0.56 -0.33 -2.20 6.66 3.04 -0.99 -3.45 116.42 118.59 1krx h ASP 49 Ca -0.45 -0.00 -0.46 0.00 -3.24 0.00 0.00 57.03 52.88 1krx h ASP 49 Cb 1.26 0.08 -0.01 0.00 -1.04 0.00 0.00 39.33 39.63 1krx h ASP 49 CO 0.63 0.13 -0.40 0.54 -2.04 0.00 0.00 179.24 178.10 1krx s VAL 50 N -2.84 5.11 0.02 4.15 0.11 -1.11 -3.58 120.40 122.27 1krx s VAL 50 Ca -0.06 -0.94 -0.19 0.00 -2.93 0.00 0.00 61.98 57.86 1krx s VAL 50 Cb 0.01 -3.81 0.04 0.00 -1.53 0.00 0.00 36.38 31.08 1krx s VAL 50 CO 0.18 -0.33 0.42 -0.22 -3.33 0.00 0.00 175.10 171.82 1krx s LEU 51 N -4.03 0.39 -0.06 2.54 2.96 0.44 -2.54 118.68 118.38 1krx s LEU 51 Ca 0.36 0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 54.35 1krx s LEU 51 Cb -0.09 1.72 0.03 0.00 0.50 0.00 0.00 46.19 48.35 1krx s LEU 51 CO 0.30 -0.61 0.02 -0.76 -1.32 0.00 0.00 176.35 173.98 1krx s LEU 52 N -1.76 0.48 -0.14 -0.68 1.43 0.06 0.21 118.68 118.28 1krx s LEU 52 Ca -0.08 -0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 52.95 1krx s LEU 52 Cb -0.02 -0.32 -0.04 0.00 0.03 0.00 0.00 46.19 45.85 1krx s LEU 52 CO 0.01 -0.21 0.03 -0.44 0.23 0.00 0.00 176.35 175.97 1krx s SER 53 N 1.97 5.44 0.51 2.29 0.01 0.67 0.16 113.70 124.74 1krx s SER 53 Ca 0.04 0.11 0.20 0.00 1.31 0.00 0.00 55.95 57.60 1krx s SER 53 Cb -0.12 -1.78 1.32 0.00 0.21 0.00 0.00 66.02 65.65 1krx s SER 53 CO -0.04 0.27 2.11 -0.78 0.41 0.00 0.00 173.24 175.21 1krx h ASP 54 N 5.99 0.00 -6.20 2.44 1.82 0.14 -2.38 116.42 118.22 1krx h ASP 54 Ca -0.43 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.21 1krx h ASP 54 Cb 1.19 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.19 1krx h ASP 54 CO 0.62 0.07 -0.77 0.00 -1.61 0.00 0.00 179.24 177.56 1krx n ILE 55 N -4.22 -2.69 -3.15 2.25 3.06 -1.26 -4.43 119.36 108.92 1krx n ILE 55 Ca -0.03 0.52 0.06 0.00 -2.50 0.00 0.00 62.75 60.80 1krx n ILE 55 Cb 0.15 -3.22 -0.01 0.00 0.54 0.00 0.00 39.64 37.10 1krx n ILE 55 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 1krx s ARG 56 N -0.79 0.13 -1.62 9.51 1.81 -1.11 -4.65 118.95 122.24 1krx s ARG 56 Ca -0.01 0.18 -0.05 0.00 -1.72 0.00 0.00 55.73 54.13 1krx s ARG 56 Cb 0.00 0.09 0.05 0.00 -0.45 0.00 0.00 34.95 34.64 1krx s ARG 56 CO 0.07 -0.20 0.13 0.00 -0.68 0.00 0.00 175.30 174.62 1krx n MET 57 N 5.29 -0.90 -0.09 3.54 0.00 -0.90 -4.76 117.12 119.29 1krx n MET 57 Ca 0.01 0.10 -0.16 0.00 0.00 0.00 0.00 57.70 57.65 1krx n MET 57 Cb 0.56 -3.82 -0.08 0.00 0.00 0.00 0.00 33.22 29.88 1krx n MET 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1krx n PRO 58 N -4.48 0.53 0.00 3.17 -0.04 -1.26 -4.89 135.00 128.03 1krx n PRO 58 Ca -0.24 0.54 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1krx n PRO 58 Cb 0.65 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 1.48 0.00 2.73 0.55 0.00 -1.26 -4.99 105.19 103.70 1krx n GLY 59 Ca -0.25 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.70 1krx n GLY 59 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1krx n MET 60 N -0.09 0.68 0.00 1.61 0.00 -1.26 -4.89 117.12 113.16 1krx n MET 60 Ca 0.00 -1.53 0.00 0.00 -0.00 0.00 0.00 57.70 56.17 1krx n MET 60 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 33.22 32.14 1krx n MET 60 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1krx n ASP 61 N 1.28 0.00 0.00 6.12 2.03 -1.26 -2.50 116.55 122.22 1krx n ASP 61 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1krx n ASP 61 Cb 0.67 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1krx n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1krx n GLY 62 N -1.19 1.29 0.24 0.27 0.00 -1.26 -2.11 105.19 102.43 1krx n GLY 62 Ca 0.00 0.00 0.14 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 -1.74 0.99 4.07 -1.84 -3.15 115.31 113.64 1krx h LEU 63 Ca 0.00 0.00 0.17 0.00 0.08 0.00 0.00 57.88 58.13 1krx h LEU 63 Cb 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.70 1krx h LEU 63 CO 0.00 0.00 0.50 0.00 -1.08 0.00 0.00 178.44 177.86 1krx h ALA 64 N 2.00 2.32 -0.62 1.53 0.00 -1.88 0.13 119.26 122.73 1krx h ALA 64 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1krx h ALA 64 Cb 0.85 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1krx h ALA 64 CO 0.00 -0.52 0.35 -0.07 0.00 0.00 0.00 179.25 179.01 1krx h LEU 65 N 0.25 0.53 -0.64 0.00 3.38 -1.88 -1.34 115.31 115.60 1krx h LEU 65 Ca 0.36 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.43 1krx h LEU 65 Cb 1.03 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.63 1krx h LEU 65 CO -0.08 0.35 0.30 -0.07 0.09 0.00 0.00 178.44 179.03 1krx h LEU 66 N 0.66 0.38 -0.68 1.67 -0.00 -0.95 -1.42 115.31 114.97 1krx h LEU 66 Ca 0.27 0.06 0.12 0.00 -0.00 0.00 0.00 57.88 58.33 1krx h LEU 66 Cb 0.14 -0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 40.71 1krx h LEU 66 CO -0.16 0.23 0.26 0.50 -0.00 0.00 0.00 178.44 179.27 1krx h LYS 67 N 0.54 0.42 -0.06 1.13 3.64 -1.12 0.61 116.57 121.72 1krx h LYS 67 Ca 0.31 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.58 1krx h LYS 67 Cb 0.32 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1krx h LYS 67 CO -0.25 0.28 -0.35 1.96 -2.27 0.00 0.00 179.45 178.82 1krx h GLN 68 N 0.43 0.11 -0.73 1.90 1.08 -0.98 -2.86 115.11 114.06 1krx h GLN 68 Ca 0.36 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.47 1krx h GLN 68 Cb 0.49 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 1krx h GLN 68 CO -0.35 0.45 0.30 0.82 -0.95 0.00 0.00 178.83 179.10 1krx h ILE 69 N 0.10 1.25 0.00 2.54 2.04 0.01 -1.19 117.51 122.26 1krx h ILE 69 Ca 0.01 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 1krx h ILE 69 Cb 0.67 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1krx h ILE 69 CO 0.05 0.31 -0.21 0.07 0.00 0.00 0.00 178.15 178.37 1krx h LYS 70 N 1.04 0.00 0.05 2.37 2.10 -1.24 0.27 116.57 121.16 1krx h LYS 70 Ca 0.24 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.65 1krx h LYS 70 Cb 0.20 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.50 1krx h LYS 70 CO -0.02 0.21 -1.21 0.37 -2.00 0.00 0.00 179.45 176.79 1krx h GLN 71 N 0.00 0.10 0.00 0.07 4.15 -1.22 -3.42 115.11 114.79 1krx h GLN 71 Ca -0.00 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.23 1krx h GLN 71 Cb 0.90 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.65 1krx h GLN 71 CO 0.03 1.01 -0.73 0.54 -1.93 0.00 0.00 178.83 177.74 1krx n ARG 72 N -3.37 0.35 -2.86 1.69 1.74 -0.49 -5.02 116.66 108.69 1krx n ARG 72 Ca -0.06 0.14 -0.36 0.00 -0.77 0.00 0.00 57.85 56.80 1krx n ARG 72 Cb 0.99 -1.12 -0.06 0.00 -1.02 0.00 0.00 32.46 31.25 1krx n ARG 72 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1krx s HIS 73 N -2.59 3.64 -0.54 -1.55 3.76 0.94 -5.03 115.29 113.92 1krx s HIS 73 Ca -0.19 1.66 -0.18 0.00 -0.15 0.00 0.00 55.06 56.20 1krx s HIS 73 Cb 0.03 -2.84 0.09 0.00 1.11 0.00 0.00 32.58 30.97 1krx s HIS 73 CO 0.29 0.20 0.61 -1.25 -0.85 0.00 0.00 174.74 173.74 1krx s PRO 74 N -2.18 3.06 -1.42 8.40 0.04 -1.26 -4.10 135.00 137.54 1krx s PRO 74 Ca 0.50 -1.20 -0.08 0.00 0.04 0.00 0.00 61.00 60.26 1krx s PRO 74 Cb -0.17 -4.19 0.05 0.00 0.04 0.00 0.00 34.50 30.23 1krx s PRO 74 CO 0.22 -1.34 0.61 -1.33 0.04 0.00 0.00 177.00 175.20 1krx n MET 75 N 6.02 -4.36 -1.84 4.56 2.81 -1.19 -4.87 117.12 118.25 1krx n MET 75 Ca -0.09 0.67 -0.43 0.00 -1.81 0.00 0.00 57.70 56.04 1krx n MET 75 Cb 0.43 -5.47 -0.03 0.00 -0.71 0.00 0.00 33.22 27.45 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 -6.68 3.51 -0.18 4.03 0.20 -1.26 -4.80 118.68 113.50 1krx s LEU 76 Ca 0.40 1.58 -0.34 0.00 0.69 0.00 0.00 54.13 56.46 1krx s LEU 76 Cb -0.19 -3.52 -0.11 0.00 -0.43 0.00 0.00 46.19 41.93 1krx s LEU 76 CO 0.49 -1.78 1.97 -2.65 -0.29 0.00 0.00 176.35 174.09 1krx n PRO 77 N 8.52 1.82 -4.67 0.98 -0.02 -1.23 -4.61 135.00 135.79 1krx n PRO 77 Ca 0.26 0.63 -0.28 0.00 -2.02 0.00 0.00 63.50 62.09 1krx n PRO 77 Cb 0.46 -2.62 -0.14 0.00 -0.02 0.00 0.00 33.50 31.18 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 5.18 1.96 -0.19 -1.45 1.01 -1.26 -0.42 120.40 125.23 1krx s VAL 78 Ca 0.98 -1.40 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1krx s VAL 78 Cb -0.73 -1.70 0.03 0.00 0.00 0.00 0.00 36.38 33.98 1krx s VAL 78 CO 0.51 0.22 -0.15 -0.63 0.00 0.00 0.00 175.10 175.05 1krx s ILE 79 N -0.88 1.87 -0.25 2.22 1.01 0.56 -0.27 121.20 125.44 1krx s ILE 79 Ca 0.10 -1.01 -0.17 0.00 0.00 0.00 0.00 60.65 59.57 1krx s ILE 79 Cb -0.10 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 1krx s ILE 79 CO 0.03 0.33 0.46 -0.63 0.00 0.00 0.00 174.94 175.14 1krx s ILE 80 N 1.33 5.11 -1.11 2.92 -1.09 -1.10 -0.24 121.20 127.02 1krx s ILE 80 Ca 0.01 0.78 0.21 0.00 -2.23 0.00 0.00 60.65 59.43 1krx s ILE 80 Cb -0.15 -3.78 0.23 0.00 -1.58 0.00 0.00 42.46 37.17 1krx s ILE 80 CO -0.10 0.13 1.68 1.15 -1.23 0.00 0.00 174.94 176.56 1krx n MET 81 N 5.33 0.08 -3.76 2.79 0.00 -0.90 0.83 117.12 121.50 1krx n MET 81 Ca -0.06 0.13 -0.12 0.00 0.00 0.00 0.00 57.70 57.64 1krx n MET 81 Cb 0.50 -1.50 -0.12 0.00 0.00 0.00 0.00 33.22 32.10 1krx n MET 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1krx s THR 82 N -2.89 -0.01 -0.46 3.17 2.01 -0.93 -1.33 115.64 115.20 1krx s THR 82 Ca 0.13 0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.21 1krx s THR 82 Cb 0.14 -0.40 0.16 0.00 0.01 0.00 0.00 72.50 72.40 1krx s THR 82 CO 0.37 0.02 0.32 0.00 -0.69 0.00 0.00 174.62 174.64 1krx s ALA 83 N 0.60 1.90 1.00 7.40 0.00 -1.26 -4.86 121.76 126.54 1krx s ALA 83 Ca -0.04 -2.61 0.00 0.00 0.00 0.00 0.00 51.96 49.31 1krx s ALA 83 Cb -0.05 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1krx s ALA 83 CO -0.04 -2.04 0.00 0.72 0.00 0.00 0.00 175.76 174.40 1krx n HIS 84 N 3.10 -0.48 -0.78 0.00 8.25 -1.26 -4.81 115.22 119.24 1krx n HIS 84 Ca 0.19 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.54 1krx n HIS 84 Cb 0.40 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.53 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 0.00 6.06 -1.86 0.41 7.64 -1.26 -4.00 113.62 120.62 1krx n SER 85 Ca 0.00 -2.83 -0.06 0.00 1.01 0.00 0.00 58.87 56.99 1krx n SER 85 Cb 0.00 -1.10 0.07 0.00 -1.01 0.00 0.00 64.21 62.17 1krx n SER 85 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1krx n ASP 86 N 0.81 2.59 0.21 6.43 2.03 -1.26 -4.86 116.55 122.50 1krx n ASP 86 Ca 0.21 -2.98 0.12 0.00 0.52 0.00 0.00 54.79 52.65 1krx n ASP 86 Cb 0.56 -0.41 0.40 0.00 -0.72 0.00 0.00 41.12 40.95 1krx n ASP 86 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1krx h LEU 87 N 1.84 0.00 -0.42 -2.67 -0.00 -1.92 -2.14 115.31 110.00 1krx h LEU 87 Ca 0.04 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 58.00 1krx h LEU 87 Cb 1.42 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.98 1krx h LEU 87 CO 0.32 0.00 -0.36 0.44 -0.00 0.00 0.00 178.44 178.84 1krx h ASP 88 N 0.00 -1.19 0.80 -0.43 5.19 -1.95 0.38 116.42 119.22 1krx h ASP 88 Ca 0.11 0.20 -0.03 0.00 -0.62 0.00 0.00 57.03 56.69 1krx h ASP 88 Cb 1.67 0.55 -0.00 0.00 0.18 0.00 0.00 39.33 41.72 1krx h ASP 88 CO -0.00 -0.33 -0.14 0.00 -3.12 0.00 0.00 179.24 175.64 1krx h ALA 89 N 0.68 1.07 -0.26 3.45 0.00 -1.76 -2.82 119.26 119.61 1krx h ALA 89 Ca 0.17 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1krx h ALA 89 Cb 0.56 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1krx h ALA 89 CO -0.56 0.18 -0.15 0.00 0.00 0.00 0.00 179.25 178.71 1krx h ALA 90 N 1.86 0.36 -0.50 0.00 0.00 -0.49 -0.94 119.26 119.55 1krx h ALA 90 Ca -0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 1krx h ALA 90 Cb 0.58 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1krx h ALA 90 CO 0.02 0.25 0.09 0.28 0.00 0.00 0.00 179.25 179.89 1krx h VAL 91 N 0.28 1.25 0.00 0.00 2.07 -0.51 -1.99 116.25 117.34 1krx h VAL 91 Ca 0.05 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 1krx h VAL 91 Cb 0.67 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1krx h VAL 91 CO 0.04 0.33 -0.13 0.77 0.02 0.00 0.00 177.57 178.61 1krx h SER 92 N 0.71 0.00 -0.40 0.57 4.64 -1.47 -2.10 113.55 115.49 1krx h SER 92 Ca 0.15 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.39 1krx h SER 92 Cb 0.39 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 1krx h SER 92 CO 0.01 0.13 -0.06 0.00 -0.87 0.00 0.00 176.83 176.04 1krx h ALA 93 N 1.87 1.01 0.00 5.18 0.00 -0.40 -1.02 119.26 125.91 1krx h ALA 93 Ca -0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1krx h ALA 93 Cb 0.45 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1krx h ALA 93 CO 0.02 0.60 -0.16 1.88 0.00 0.00 0.00 179.25 181.59 1krx h TYR 94 N 0.75 0.00 0.00 0.00 0.05 -1.15 0.94 116.97 117.57 1krx h TYR 94 Ca 0.14 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.77 1krx h TYR 94 Cb 0.54 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.26 1krx h TYR 94 CO 0.03 0.16 -0.71 0.37 -1.05 0.00 0.00 178.16 176.96 1krx h GLN 95 N 0.00 0.00 0.00 4.88 -0.00 -1.06 -3.13 115.11 115.80 1krx h GLN 95 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1krx h GLN 95 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.02 1krx h GLN 95 CO 0.02 0.71 -1.05 0.00 0.00 0.00 0.00 178.83 178.51 1krx n GLN 96 N -3.63 0.44 0.00 1.69 -0.00 -0.83 -4.94 117.38 110.11 1krx n GLN 96 Ca -0.01 0.04 0.00 0.00 -0.00 0.00 0.00 57.00 57.03 1krx n GLN 96 Cb 0.71 -1.69 0.00 0.00 -0.00 0.00 0.00 30.24 29.26 1krx n GLN 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1krx n GLY 97 N 1.28 1.39 3.77 2.61 0.00 -0.27 -3.19 105.19 110.78 1krx n GLY 97 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1krx n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1krx s ALA 98 N -1.39 3.00 -0.12 4.61 0.00 0.31 -3.83 121.76 124.33 1krx s ALA 98 Ca 0.00 0.98 -0.19 0.00 0.00 0.00 0.00 51.96 52.75 1krx s ALA 98 Cb 0.00 -3.40 -0.17 0.00 0.00 0.00 0.00 23.12 19.55 1krx s ALA 98 CO 0.00 -0.71 0.54 0.35 0.00 0.00 0.00 175.76 175.94 1krx h PHE 99 N 2.10 -0.01 0.00 0.00 3.57 -0.96 -3.42 116.94 118.22 1krx h PHE 99 Ca -0.49 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.01 1krx h PHE 99 Cb 1.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.99 1krx h PHE 99 CO 0.53 0.64 0.00 -3.47 -2.23 0.00 0.00 178.31 173.77 1krx n ASP 100 N -4.68 0.00 -3.75 0.41 -0.08 -1.15 -5.02 116.55 102.27 1krx n ASP 100 Ca -0.07 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.01 1krx n ASP 100 Cb 0.31 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.60 1krx n ASP 100 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1krx s TYR 101 N -3.00 0.38 0.02 -0.67 1.51 -1.26 -2.70 117.35 111.63 1krx s TYR 101 Ca 0.00 0.02 0.08 0.00 -1.01 0.00 0.00 57.07 56.15 1krx s TYR 101 Cb 0.00 -0.60 -0.02 0.00 -0.11 0.00 0.00 41.96 41.23 1krx s TYR 101 CO 0.00 -0.23 -0.22 -0.48 -1.11 0.00 0.00 175.55 173.50 1krx s LEU 102 N 1.79 2.12 1.19 -1.29 0.05 0.24 -4.96 118.68 117.83 1krx s LEU 102 Ca 0.01 -0.49 -0.18 0.00 0.05 0.00 0.00 54.13 53.53 1krx s LEU 102 Cb -0.12 -1.11 0.23 0.00 -2.05 0.00 0.00 46.19 43.14 1krx s LEU 102 CO -0.04 0.22 0.49 -2.65 -0.55 0.00 0.00 176.35 173.83 1krx n PRO 103 N 2.10 -2.87 -0.28 1.48 -0.02 -1.26 -2.20 135.00 131.96 1krx n PRO 103 Ca -0.16 -0.84 -0.02 0.00 -2.02 0.00 0.00 63.50 60.46 1krx n PRO 103 Cb 0.53 -1.75 0.04 0.00 -0.02 0.00 0.00 33.50 32.30 1krx n PRO 103 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1krx h LYS 104 N -2.81 -0.07 -6.53 -0.52 1.63 -1.59 -3.40 116.57 103.28 1krx h LYS 104 Ca -0.42 0.00 -0.51 0.00 -0.85 0.00 0.00 60.65 58.87 1krx h LYS 104 Cb 1.15 0.02 0.23 0.00 -0.60 0.00 0.00 32.23 33.03 1krx h LYS 104 CO 0.29 -0.05 -1.16 -0.35 -3.45 0.00 0.00 179.45 174.73 1krx n PRO 105 N -5.47 -0.54 0.00 1.90 -0.04 -1.26 -4.84 135.00 124.75 1krx n PRO 105 Ca 0.08 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1krx n PRO 105 Cb 0.38 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1krx n PRO 105 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1krx n PHE 106 N -3.59 0.00 -1.28 0.54 1.16 -1.26 -4.93 117.46 108.10 1krx n PHE 106 Ca 0.03 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.61 1krx n PHE 106 Cb 0.58 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 38.45 1krx n PHE 106 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 1krx n ASP 107 N 0.00 -1.79 0.04 5.98 5.68 -1.26 0.64 116.55 125.84 1krx n ASP 107 Ca 0.00 0.06 -0.12 0.00 -0.50 0.00 0.00 54.79 54.23 1krx n ASP 107 Cb 0.00 -0.21 -0.07 0.00 -1.14 0.00 0.00 41.12 39.70 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 -0.05 1.01 0.15 2.12 5.03 -1.95 1.10 117.51 124.92 1krx h ILE 108 Ca 0.00 -0.02 0.01 0.00 -0.12 0.00 0.00 64.86 64.74 1krx h ILE 108 Cb 0.05 1.01 -0.04 0.00 -3.03 0.00 0.00 36.82 34.80 1krx h ILE 108 CO 0.00 0.01 -0.47 -0.78 -0.68 0.00 0.00 178.15 176.23 1krx h ASP 109 N 0.00 -1.38 1.17 1.72 3.58 -1.98 0.74 116.42 120.27 1krx h ASP 109 Ca 0.00 0.15 -0.17 0.00 0.42 0.00 0.00 57.03 57.43 1krx h ASP 109 Cb 0.01 0.51 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 1krx h ASP 109 CO -0.00 -0.53 -0.84 -0.33 -2.88 0.00 0.00 179.24 174.66 1krx h GLU 110 N -0.72 0.00 0.00 0.28 4.39 0.23 -2.83 114.58 115.93 1krx h GLU 110 Ca 0.01 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1krx h GLU 110 Cb 0.73 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1krx h GLU 110 CO -0.24 0.80 -0.44 0.00 -1.16 0.00 0.00 179.01 177.96 1krx h ALA 111 N 1.19 0.08 -0.50 3.43 0.00 0.27 -3.05 119.26 120.68 1krx h ALA 111 Ca -0.02 -0.66 0.06 0.00 0.00 0.00 0.00 54.91 54.30 1krx h ALA 111 Cb 1.63 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.67 1krx h ALA 111 CO 0.10 0.26 0.34 0.28 0.00 0.00 0.00 179.25 180.24 1krx h VAL 112 N -1.00 0.97 0.11 0.00 2.07 0.45 0.71 116.25 119.55 1krx h VAL 112 Ca -0.11 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1krx h VAL 112 Cb 0.92 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1krx h VAL 112 CO -0.07 0.08 -0.09 0.00 0.02 0.00 0.00 177.57 177.51 1krx h ALA 113 N 1.73 -0.19 0.00 1.67 0.00 -1.51 -0.45 119.26 120.51 1krx h ALA 113 Ca 0.22 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1krx h ALA 113 Cb 0.32 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1krx h ALA 113 CO -0.06 -0.62 -0.15 1.25 0.00 0.00 0.00 179.25 179.68 1krx h LEU 114 N -0.21 0.00 0.01 0.00 5.85 -1.09 -3.20 115.31 116.66 1krx h LEU 114 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1krx h LEU 114 Cb 0.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1krx h LEU 114 CO -0.02 0.15 -0.00 1.62 -0.34 0.00 0.00 178.44 179.85 1krx h VAL 115 N 0.00 1.39 -1.00 1.05 3.04 0.80 -3.19 116.25 118.35 1krx h VAL 115 Ca -0.00 -2.00 0.04 0.00 -1.01 0.00 0.00 66.70 63.72 1krx h VAL 115 Cb 0.89 2.62 -0.06 0.00 -2.01 0.00 0.00 31.29 32.73 1krx h VAL 115 CO 0.02 0.47 0.65 -0.33 -1.01 0.00 0.00 177.57 177.37 1krx h GLU 116 N -0.98 1.23 0.00 4.17 5.08 -1.21 -0.37 114.58 122.50 1krx h GLU 116 Ca -0.00 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1krx h GLU 116 Cb 0.77 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1krx h GLU 116 CO 0.00 0.81 -0.11 0.07 -1.00 0.00 0.00 179.01 178.78 1krx h ARG 117 N 1.27 0.00 -0.02 2.33 0.11 -1.70 -0.26 114.38 116.11 1krx h ARG 117 Ca 0.39 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.46 1krx h ARG 117 Cb -0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.07 1krx h ARG 117 CO -0.12 0.11 -0.04 0.00 0.10 0.00 0.00 179.97 180.02 1krx h ALA 118 N 1.89 0.03 -0.05 0.08 0.00 -1.06 -2.43 119.26 117.72 1krx h ALA 118 Ca -0.00 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 1krx h ALA 118 Cb 0.38 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1krx h ALA 118 CO 0.01 -0.15 -0.55 0.82 0.00 0.00 0.00 179.25 179.38 1krx h ILE 119 N -0.51 1.38 -0.29 0.00 2.04 -1.24 -2.70 117.51 116.18 1krx h ILE 119 Ca 0.00 -1.86 -0.08 0.00 1.00 0.00 0.00 64.86 63.92 1krx h ILE 119 Cb 0.62 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 1krx h ILE 119 CO 0.01 0.54 -0.16 -1.28 0.00 0.00 0.00 178.15 177.27 1krx h SER 120 N 0.12 0.50 1.48 1.72 0.87 -1.08 -2.42 113.55 114.73 1krx h SER 120 Ca -0.00 -0.14 -0.07 0.00 -1.23 0.00 0.00 61.79 60.35 1krx h SER 120 Cb 1.01 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.82 1krx h SER 120 CO 0.08 0.68 -0.34 0.45 -0.53 0.00 0.00 176.83 177.17 1krx h HIS 121 N 0.46 0.00 0.38 2.24 3.86 -1.27 -3.34 115.15 117.48 1krx h HIS 121 Ca 0.08 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1krx h HIS 121 Cb 0.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1krx h HIS 121 CO 0.02 0.34 -0.18 1.88 0.86 0.00 0.00 177.93 180.85 1krx h TYR 122 N 0.00 -0.47 -4.15 2.45 -1.99 -1.12 -3.46 116.97 108.23 1krx h TYR 122 Ca -0.00 -0.01 -0.45 0.00 2.00 0.00 0.00 58.73 60.26 1krx h TYR 122 Cb 1.17 0.15 0.14 0.00 2.00 0.00 0.00 36.73 40.20 1krx h TYR 122 CO 0.00 -0.24 0.33 -0.65 -0.00 0.00 0.00 178.16 177.60 1krx s GLN 123 N -3.37 0.84 0.00 4.88 -0.21 -0.98 -5.12 119.66 115.70 1krx s GLN 123 Ca -0.09 0.04 0.00 0.00 0.02 0.00 0.00 55.36 55.33 1krx s GLN 123 Cb 0.01 -1.83 0.00 0.00 1.00 0.00 0.00 33.01 32.19 1krx s GLN 123 CO 0.28 -2.35 0.00 -0.85 -2.12 0.00 0.00 175.29 170.24