#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 1.70 0.00 2.12 -0.21 -1.26 -5.01 119.66 117.01 1krx s GLN 2 Ca 0.00 -1.01 0.06 0.00 0.02 0.00 0.00 55.36 54.43 1krx s GLN 2 Cb 0.00 0.53 0.28 0.00 1.00 0.00 0.00 33.01 34.82 1krx s GLN 2 CO 0.00 -0.79 1.19 2.89 -2.12 0.00 0.00 175.29 176.46 1krx n ARG 3 N -0.52 0.01 -0.72 2.91 1.85 -1.26 -4.89 116.66 114.05 1krx n ARG 3 Ca -0.06 0.37 0.00 0.00 -1.00 0.00 0.00 57.85 57.17 1krx n ARG 3 Cb 0.60 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.51 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 -0.82 -1.28 2.99 2.89 0.00 -1.26 -4.56 105.19 103.15 1krx n GLY 4 Ca 0.02 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 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 1.66 -0.24 -0.61 1.09 -1.26 -0.73 121.20 121.11 1krx s ILE 5 Ca 0.00 -1.09 -0.07 0.00 -1.10 0.00 0.00 60.65 58.39 1krx s ILE 5 Cb 0.00 -1.77 -0.03 0.00 -1.06 0.00 0.00 42.46 39.60 1krx s ILE 5 CO 0.00 0.11 0.05 0.54 -0.10 0.00 0.00 174.94 175.54 1krx s VAL 6 N 1.37 4.14 0.04 2.92 0.11 0.27 -0.20 120.40 129.05 1krx s VAL 6 Ca -0.03 -0.23 0.05 0.00 -2.93 0.00 0.00 61.98 58.84 1krx s VAL 6 Cb -0.17 -2.93 -0.03 0.00 -1.53 0.00 0.00 36.38 31.72 1krx s VAL 6 CO -0.08 0.36 -0.09 0.26 -3.33 0.00 0.00 175.10 172.22 1krx s TRP 7 N 1.55 2.80 0.03 1.54 0.52 -0.66 -2.36 118.94 122.36 1krx s TRP 7 Ca 0.06 -0.11 0.01 0.00 0.02 0.00 0.00 56.10 56.09 1krx s TRP 7 Cb -0.15 -1.54 -0.02 0.00 -1.15 0.00 0.00 33.47 30.61 1krx s TRP 7 CO 0.02 0.36 -0.06 0.54 0.02 0.00 0.00 176.95 177.83 1krx s VAL 8 N -1.04 0.40 -0.25 4.03 0.11 0.91 0.90 120.40 125.45 1krx s VAL 8 Ca 0.18 -1.00 -0.02 0.00 -2.93 0.00 0.00 61.98 58.21 1krx s VAL 8 Cb -0.11 -0.49 0.08 0.00 -1.53 0.00 0.00 36.38 34.33 1krx s VAL 8 CO 0.09 -0.40 0.06 -0.69 -3.33 0.00 0.00 175.10 170.83 1krx s VAL 9 N -1.36 0.69 0.00 2.04 1.01 0.38 0.34 120.40 123.50 1krx s VAL 9 Ca -0.11 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1krx s VAL 9 Cb -0.10 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.94 1krx s VAL 9 CO -0.00 -0.43 0.00 -0.67 0.00 0.00 0.00 175.10 174.00 1krx n ASP 10 N 4.96 0.00 0.00 3.32 2.03 0.38 0.67 116.55 127.90 1krx n ASP 10 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1krx n ASP 10 Cb 0.44 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 1krx n ASP 10 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1krx n ASP 11 N 0.00 0.00 0.00 1.67 9.92 -1.25 -4.23 116.55 122.67 1krx n ASP 11 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1krx n ASP 11 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1krx n ASP 11 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1krx n ASP 12 N 1.26 0.00 -0.20 -2.24 -0.08 -1.18 -4.04 116.55 110.08 1krx n ASP 12 Ca 0.00 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.35 1krx n ASP 12 Cb 0.00 0.00 0.14 0.00 2.34 0.00 0.00 41.12 43.60 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 8.53 -0.11 0.29 1.67 2.88 -1.26 0.14 113.62 125.76 1krx n SER 13 Ca 0.00 0.97 -0.11 0.00 -1.33 0.00 0.00 58.87 58.39 1krx n SER 13 Cb 0.00 -0.33 -0.05 0.00 -0.75 0.00 0.00 64.21 63.07 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 -0.63 0.24 -3.46 0.87 -1.91 -2.80 113.55 105.86 1krx h SER 14 Ca 0.32 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.89 1krx h SER 14 Cb 0.62 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1krx h SER 14 CO -0.55 -0.39 -0.08 0.40 -0.53 0.00 0.00 176.83 175.68 1krx h ILE 15 N -0.87 0.58 0.76 2.23 1.08 -0.92 -3.05 117.51 117.31 1krx h ILE 15 Ca -0.08 -0.36 -0.04 0.00 -0.39 0.00 0.00 64.86 63.99 1krx h ILE 15 Cb 0.57 1.23 0.01 0.00 -3.07 0.00 0.00 36.82 35.56 1krx h ILE 15 CO 0.12 0.08 -0.36 -0.09 -0.69 0.00 0.00 178.15 177.21 1krx h ARG 16 N 0.00 -0.98 -0.48 2.37 2.43 0.13 -1.30 114.38 116.55 1krx h ARG 16 Ca -0.00 0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1krx h ARG 16 Cb 0.22 0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 1krx h ARG 16 CO 0.01 -0.64 0.22 2.35 -1.51 0.00 0.00 179.97 180.40 1krx h TRP 17 N -1.09 0.39 -0.37 2.20 7.01 -1.39 0.75 115.95 123.44 1krx h TRP 17 Ca -0.10 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 60.87 1krx h TRP 17 Cb 0.79 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.73 1krx h TRP 17 CO -0.01 0.17 0.04 0.28 -2.79 0.00 0.00 178.44 176.14 1krx h VAL 18 N 0.43 1.24 0.00 2.65 2.07 -1.56 -3.12 116.25 117.97 1krx h VAL 18 Ca 0.22 -0.89 -0.09 0.00 0.82 0.00 0.00 66.70 66.76 1krx h VAL 18 Cb 0.16 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1krx h VAL 18 CO -0.18 0.30 -0.67 0.25 0.02 0.00 0.00 177.57 177.29 1krx h LEU 19 N 0.46 0.00 0.42 2.57 5.85 -1.03 -3.19 115.31 120.38 1krx h LEU 19 Ca 0.11 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1krx h LEU 19 Cb 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1krx h LEU 19 CO 0.01 0.40 -0.20 1.05 -0.34 0.00 0.00 178.44 179.36 1krx h GLU 20 N 0.00 -0.54 0.47 1.25 4.11 0.52 -1.90 114.58 118.49 1krx h GLU 20 Ca -0.04 0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1krx h GLU 20 Cb 1.33 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1krx h GLU 20 CO 0.05 -0.23 -0.22 0.00 0.07 0.00 0.00 179.01 178.67 1krx h ARG 21 N -0.90 -0.60 -0.59 1.06 2.47 -1.71 -0.81 114.38 113.30 1krx h ARG 21 Ca -0.06 0.04 0.08 0.00 -1.26 0.00 0.00 59.98 58.79 1krx h ARG 21 Cb 0.56 0.14 -0.07 0.00 -1.65 0.00 0.00 29.97 28.95 1krx h ARG 21 CO 0.09 -0.30 0.24 0.00 0.56 0.00 0.00 179.97 180.56 1krx h ALA 22 N -0.54 0.76 0.00 0.04 0.00 -1.69 0.05 119.26 117.88 1krx h ALA 22 Ca -0.06 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1krx h ALA 22 Cb 0.58 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1krx h ALA 22 CO 0.11 -0.16 -0.31 1.25 0.00 0.00 0.00 179.25 180.13 1krx h LEU 23 N 0.44 0.00 -1.19 0.00 7.12 -1.38 -2.15 115.31 118.14 1krx h LEU 23 Ca 0.29 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 58.23 1krx h LEU 23 Cb 0.32 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.44 1krx h LEU 23 CO -0.27 0.31 -0.24 0.00 -0.13 0.00 0.00 178.44 178.11 1krx h ALA 24 N 1.69 1.33 0.00 1.25 0.00 0.52 -1.63 119.26 122.42 1krx h ALA 24 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1krx h ALA 24 Cb 0.70 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1krx h ALA 24 CO 0.04 0.46 -0.10 0.78 0.00 0.00 0.00 179.25 180.43 1krx h GLY 25 N 0.95 0.00 2.00 0.00 0.00 -0.66 0.16 103.07 105.52 1krx h GLY 25 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1krx h GLY 25 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.58 1krx h ALA 26 N 1.90 1.00 0.00 3.60 0.00 -1.33 -3.47 119.26 120.97 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 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1krx h ALA 26 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1krx n GLY 27 N 0.87 1.39 3.35 0.00 0.00 0.04 -5.11 105.19 105.73 1krx n GLY 27 Ca 0.04 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 1krx n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1krx s LEU 28 N 0.00 1.72 -0.16 0.99 1.02 -1.18 -4.76 118.68 116.31 1krx s LEU 28 Ca 0.00 -1.43 -0.16 0.00 0.02 0.00 0.00 54.13 52.56 1krx s LEU 28 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 46.19 46.17 1krx s LEU 28 CO 0.00 -0.76 0.38 -0.89 0.02 0.00 0.00 176.35 175.10 1krx s THR 29 N -3.65 5.24 -0.15 5.49 2.01 0.09 -3.93 115.64 120.74 1krx s THR 29 Ca 0.37 0.72 0.01 0.00 0.31 0.00 0.00 61.69 63.10 1krx s THR 29 Cb 0.07 -3.72 0.02 0.00 0.01 0.00 0.00 72.50 68.88 1krx s THR 29 CO 0.15 0.33 -0.16 0.00 -0.69 0.00 0.00 174.62 174.24 1krx s THR 31 N 1.33 0.55 0.24 0.00 -1.32 -0.99 -4.46 115.64 110.99 1krx s THR 31 Ca 0.03 -0.18 0.08 0.00 -1.21 0.00 0.00 61.69 60.41 1krx s THR 31 Cb -0.13 -0.55 -0.04 0.00 -1.51 0.00 0.00 72.50 70.27 1krx s THR 31 CO -0.10 0.21 0.13 0.42 -2.21 0.00 0.00 174.62 173.07 1krx s THR 32 N 0.63 4.15 0.34 5.08 -4.23 -1.25 -0.06 115.64 120.29 1krx s THR 32 Ca -0.08 -1.51 0.03 0.00 -1.18 0.00 0.00 61.69 58.95 1krx s THR 32 Cb -0.12 -3.22 -0.04 0.00 1.34 0.00 0.00 72.50 70.46 1krx s THR 32 CO 0.00 -0.32 0.12 -0.36 -0.54 0.00 0.00 174.62 173.52 1krx s PHE 33 N -2.13 1.74 0.00 3.99 0.40 1.06 -4.84 117.98 118.20 1krx s PHE 33 Ca 0.32 -1.23 0.00 0.00 -0.60 0.00 0.00 56.93 55.42 1krx s PHE 33 Cb -0.08 -1.06 0.00 0.00 0.51 0.00 0.00 43.02 42.39 1krx s PHE 33 CO 0.23 -0.31 0.00 -0.85 0.70 0.00 0.00 175.22 174.99 1krx n GLU 34 N -0.71 0.00 -0.10 0.44 0.28 -1.26 0.14 120.64 119.44 1krx n GLU 34 Ca -0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.77 1krx n GLU 34 Cb 0.65 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.41 1krx n GLU 34 CO 0.00 0.00 0.00 -2.95 -0.16 0.00 0.00 177.13 174.02 1krx h ASN 35 N 0.00 0.02 0.00 -1.84 7.08 -1.95 -0.69 115.58 118.20 1krx h ASN 35 Ca 0.00 -0.58 0.00 0.00 -3.08 0.00 0.00 56.30 52.64 1krx h ASN 35 Cb 0.00 -0.01 0.00 0.00 -2.08 0.00 0.00 38.32 36.23 1krx h ASN 35 CO 0.00 1.46 0.00 0.61 -2.08 0.00 0.00 177.43 177.42 1krx n GLY 36 N 1.47 0.43 0.38 9.14 0.00 -1.26 -1.72 105.19 113.63 1krx n GLY 36 Ca -0.30 -0.03 0.19 0.00 0.00 0.00 0.00 46.02 45.88 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 0.74 1.61 4.21 -1.95 -2.22 115.58 117.96 1krx h ASN 37 Ca 0.00 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 1krx h ASN 37 Cb 0.00 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 1krx h ASN 37 CO 0.00 0.00 -0.50 -0.08 -1.29 0.00 0.00 177.43 175.56 1krx h GLU 38 N 0.00 -1.13 -0.65 0.81 4.57 -1.97 -2.79 114.58 113.41 1krx h GLU 38 Ca 0.15 0.08 0.04 0.00 -1.18 0.00 0.00 59.36 58.45 1krx h GLU 38 Cb 0.99 0.26 -0.04 0.00 -0.16 0.00 0.00 28.75 29.80 1krx h GLU 38 CO -0.00 -0.76 0.43 0.28 -1.18 0.00 0.00 179.01 177.79 1krx h VAL 39 N -1.18 1.08 -0.78 0.32 2.07 -1.78 -1.90 116.25 114.08 1krx h VAL 39 Ca -0.10 -0.26 0.18 0.00 0.82 0.00 0.00 66.70 67.35 1krx h VAL 39 Cb 0.96 0.25 -0.13 0.00 -1.52 0.00 0.00 31.29 30.85 1krx h VAL 39 CO 0.07 0.14 0.13 -0.07 0.02 0.00 0.00 177.57 177.85 1krx h LEU 40 N 0.76 -0.13 -0.01 2.57 3.38 -1.42 1.19 115.31 121.66 1krx h LEU 40 Ca 0.27 0.18 -0.11 0.00 0.09 0.00 0.00 57.88 58.31 1krx h LEU 40 Cb 0.11 0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.14 1krx h LEU 40 CO -0.08 -0.12 -0.41 0.00 0.09 0.00 0.00 178.44 177.92 1krx h ALA 41 N 1.69 0.06 -0.14 1.53 0.00 -1.30 -3.22 119.26 117.88 1krx h ALA 41 Ca 0.45 -0.51 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1krx h ALA 41 Cb 0.82 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1krx h ALA 41 CO -0.61 0.21 0.10 0.00 0.00 0.00 0.00 179.25 178.96 1krx h ALA 42 N 0.30 2.12 0.00 0.00 0.00 -0.43 -0.15 119.26 121.09 1krx h ALA 42 Ca -0.05 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1krx h ALA 42 Cb 1.14 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1krx h ALA 42 CO 0.08 -0.18 -0.21 -0.07 0.00 0.00 0.00 179.25 178.87 1krx h LEU 43 N 0.00 0.00 -2.00 0.00 3.38 0.14 -2.99 115.31 113.84 1krx h LEU 43 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1krx h LEU 43 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1krx h LEU 43 CO -0.00 0.21 0.12 0.00 0.09 0.00 0.00 178.44 178.86 1krx h ALA 44 N 1.79 1.10 0.00 1.53 0.00 -1.04 -1.55 119.26 121.09 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 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1krx h ALA 44 CO 0.03 -0.10 0.00 0.43 0.00 0.00 0.00 179.25 179.60 1krx n SER 45 N -2.64 0.27 -3.44 0.00 7.64 -1.14 -5.07 113.62 109.23 1krx n SER 45 Ca -0.02 -0.63 -0.12 0.00 1.01 0.00 0.00 58.87 59.11 1krx n SER 45 Cb 0.17 0.70 -0.02 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 -0.70 1.25 -0.12 1.43 2.20 -0.58 -5.16 119.74 118.05 1krx s LYS 46 Ca 0.00 -0.42 -0.03 0.00 -0.36 0.00 0.00 55.97 55.16 1krx s LYS 46 Cb 0.00 0.58 0.05 0.00 -1.51 0.00 0.00 37.83 36.94 1krx s LYS 46 CO 0.00 -0.53 0.06 0.99 -0.36 0.00 0.00 175.35 175.51 1krx s THR 47 N -3.53 0.04 0.74 3.43 2.01 -1.26 -4.02 115.64 113.05 1krx s THR 47 Ca 0.00 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 61.89 1krx s THR 47 Cb -0.01 -0.49 0.03 0.00 0.01 0.00 0.00 72.50 72.04 1krx s THR 47 CO -0.11 -0.06 1.10 -2.16 -0.69 0.00 0.00 174.62 172.70 1krx s PRO 48 N 2.09 2.58 0.33 4.92 0.04 -1.26 -4.97 135.00 138.73 1krx s PRO 48 Ca 0.03 0.48 0.16 0.00 0.04 0.00 0.00 61.00 61.71 1krx s PRO 48 Cb -0.14 -1.99 0.48 0.00 0.04 0.00 0.00 34.50 32.88 1krx s PRO 48 CO -0.07 -1.24 1.64 -0.44 0.04 0.00 0.00 177.00 176.94 1krx h ASP 49 N -0.80 0.00 -5.21 6.66 5.19 -0.98 -3.46 116.42 117.82 1krx h ASP 49 Ca -0.46 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 55.85 1krx h ASP 49 Cb 1.26 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.63 1krx h ASP 49 CO 0.63 0.47 -0.45 0.54 -3.12 0.00 0.00 179.24 177.31 1krx s VAL 50 N -3.44 0.15 -0.17 -1.35 0.11 -1.19 -4.47 120.40 110.04 1krx s VAL 50 Ca 0.01 -1.39 -0.16 0.00 -2.93 0.00 0.00 61.98 57.50 1krx s VAL 50 Cb 0.11 -1.49 0.05 0.00 -1.53 0.00 0.00 36.38 33.51 1krx s VAL 50 CO 0.71 -0.66 0.46 -0.22 -3.33 0.00 0.00 175.10 172.07 1krx s LEU 51 N -2.90 0.22 -0.12 2.54 2.96 -0.10 -1.65 118.68 119.64 1krx s LEU 51 Ca 0.08 0.93 -0.04 0.00 -0.22 0.00 0.00 54.13 54.88 1krx s LEU 51 Cb 0.05 1.60 -0.04 0.00 0.50 0.00 0.00 46.19 48.31 1krx s LEU 51 CO -0.08 -0.16 0.05 -0.76 -1.32 0.00 0.00 176.35 174.07 1krx s LEU 52 N 0.23 3.83 -0.05 -0.68 1.43 0.26 0.83 118.68 124.53 1krx s LEU 52 Ca -0.00 0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 1krx s LEU 52 Cb -0.03 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.28 1krx s LEU 52 CO 0.01 0.34 -0.15 -0.55 0.23 0.00 0.00 176.35 176.23 1krx s SER 53 N -0.62 1.90 0.80 2.29 0.15 0.42 0.14 113.70 118.79 1krx s SER 53 Ca 0.11 -0.31 -0.10 0.00 0.70 0.00 0.00 55.95 56.35 1krx s SER 53 Cb -0.12 -0.62 0.11 0.00 -1.71 0.00 0.00 66.02 63.68 1krx s SER 53 CO 0.02 0.11 1.14 -0.62 1.20 0.00 0.00 173.24 175.09 1krx s ASP 54 N 0.23 4.23 -0.39 5.45 2.15 0.21 -2.76 116.67 125.79 1krx s ASP 54 Ca -0.07 0.42 0.02 0.00 0.43 0.00 0.00 52.55 53.36 1krx s ASP 54 Cb -0.12 -0.84 0.16 0.00 -0.30 0.00 0.00 42.92 41.82 1krx s ASP 54 CO 0.02 -2.01 0.29 -0.51 -0.17 0.00 0.00 175.17 172.79 1krx s ILE 55 N -3.50 0.23 -0.40 4.11 2.07 -1.26 -4.76 121.20 117.70 1krx s ILE 55 Ca 0.65 -2.25 0.05 0.00 -1.41 0.00 0.00 60.65 57.69 1krx s ILE 55 Cb -0.08 -1.18 0.48 0.00 0.13 0.00 0.00 42.46 41.81 1krx s ILE 55 CO 0.48 -1.13 1.54 0.54 -1.91 0.00 0.00 174.94 174.46 1krx n ARG 56 N 3.33 2.72 -3.68 3.50 1.74 -1.14 -4.77 116.66 118.36 1krx n ARG 56 Ca 0.23 -3.57 -0.24 0.00 -0.77 0.00 0.00 57.85 53.50 1krx n ARG 56 Cb 0.44 -2.13 0.03 0.00 -1.02 0.00 0.00 32.46 29.78 1krx n ARG 56 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 1krx n MET 57 N -0.92 -3.59 0.04 5.56 0.00 -0.25 -4.96 117.12 113.00 1krx n MET 57 Ca 0.46 0.58 -0.02 0.00 0.00 0.00 0.00 57.70 58.72 1krx n MET 57 Cb 0.94 -4.91 -0.01 0.00 0.00 0.00 0.00 33.22 29.24 1krx n MET 57 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1krx h PRO 58 N -1.79 -0.14 0.00 2.12 0.13 -1.93 -3.44 132.00 126.95 1krx h PRO 58 Ca -0.63 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1krx h PRO 58 Cb 1.36 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1krx h PRO 58 CO 0.54 -0.09 -0.73 0.41 -0.23 0.00 0.00 178.00 177.90 1krx n GLY 59 N 1.12 0.00 2.60 1.56 0.00 -1.26 -4.90 105.19 104.31 1krx n GLY 59 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.45 0.93 0.00 1.61 0.00 -1.26 -4.95 117.12 111.99 1krx n MET 60 Ca 0.00 -2.23 0.00 0.00 -0.00 0.00 0.00 57.70 55.47 1krx n MET 60 Cb 0.26 -1.26 0.00 0.00 0.00 0.00 0.00 33.22 32.22 1krx n MET 60 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1krx n ASP 61 N 0.73 0.00 0.00 6.12 5.75 -1.26 -1.99 116.55 125.89 1krx n ASP 61 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 1krx n ASP 61 Cb 0.66 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 1krx n ASP 61 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1krx n GLY 62 N 0.00 0.00 0.21 6.12 0.00 -1.26 -1.09 105.19 109.18 1krx n GLY 62 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.87 0.99 4.07 -1.72 -3.12 115.31 113.66 1krx h LEU 63 Ca 0.00 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.10 1krx h LEU 63 Cb 0.05 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 1krx h LEU 63 CO 0.00 0.00 0.39 0.00 -1.08 0.00 0.00 178.44 177.75 1krx h ALA 64 N 2.08 2.34 -0.33 1.53 0.00 -1.82 0.25 119.26 123.30 1krx h ALA 64 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1krx h ALA 64 Cb 0.84 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1krx h ALA 64 CO 0.00 -0.49 -0.23 -0.07 0.00 0.00 0.00 179.25 178.46 1krx h LEU 65 N 0.13 0.66 -0.59 0.00 4.07 -1.85 -2.78 115.31 114.94 1krx h LEU 65 Ca 0.26 -0.23 -0.03 0.00 0.08 0.00 0.00 57.88 57.96 1krx h LEU 65 Cb 0.87 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.40 1krx h LEU 65 CO -0.03 0.87 0.24 -0.07 -1.08 0.00 0.00 178.44 178.37 1krx h LEU 66 N 0.57 0.82 0.07 1.67 3.38 -0.69 -1.39 115.31 119.75 1krx h LEU 66 Ca 0.08 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1krx h LEU 66 Cb 0.70 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1krx h LEU 66 CO 0.05 0.77 -0.25 0.50 0.09 0.00 0.00 178.44 179.60 1krx h LYS 67 N 0.82 -0.42 -0.77 1.13 3.64 -1.21 -1.09 116.57 118.68 1krx h LYS 67 Ca 0.20 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.70 1krx h LYS 67 Cb 0.20 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.04 1krx h LYS 67 CO -0.02 -0.28 0.42 1.96 -2.27 0.00 0.00 179.45 179.26 1krx h GLN 68 N -0.43 0.67 -0.96 1.90 4.20 -1.30 -1.87 115.11 117.33 1krx h GLN 68 Ca 0.04 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1krx h GLN 68 Cb 0.48 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 1krx h GLN 68 CO -0.18 0.45 0.63 0.82 -0.67 0.00 0.00 178.83 179.88 1krx h ILE 69 N 0.69 1.19 0.00 2.54 2.04 -0.46 -2.02 117.51 121.50 1krx h ILE 69 Ca 0.38 -0.43 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 1krx h ILE 69 Cb 0.38 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1krx h ILE 69 CO -0.26 0.23 -0.22 0.07 0.00 0.00 0.00 178.15 177.96 1krx h LYS 70 N 1.24 0.00 0.07 2.37 2.10 -0.47 -1.25 116.57 120.63 1krx h LYS 70 Ca 0.37 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 59.02 1krx h LYS 70 Cb -0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.28 1krx h LYS 70 CO -0.11 0.22 -0.03 1.96 -2.00 0.00 0.00 179.45 179.49 1krx h GLN 71 N 0.00 -0.09 0.05 0.07 4.20 -0.64 -3.37 115.11 115.32 1krx h GLN 71 Ca -0.00 0.01 -0.35 0.00 0.06 0.00 0.00 58.65 58.37 1krx h GLN 71 Cb 0.88 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.63 1krx h GLN 71 CO 0.03 0.31 -2.06 0.54 -0.67 0.00 0.00 178.83 176.98 1krx n ARG 72 N -4.94 0.69 -3.88 1.46 1.74 -1.16 -4.94 116.66 105.64 1krx n ARG 72 Ca -0.08 0.21 -0.35 0.00 -0.77 0.00 0.00 57.85 56.86 1krx n ARG 72 Cb 0.23 -1.67 -0.05 0.00 -1.02 0.00 0.00 32.46 29.95 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 -2.55 3.57 0.00 -1.55 3.76 -0.47 -5.06 115.29 112.99 1krx s HIS 73 Ca -0.18 0.44 0.00 0.00 -0.15 0.00 0.00 55.06 55.17 1krx s HIS 73 Cb 0.07 -1.89 0.00 0.00 1.11 0.00 0.00 32.58 31.88 1krx s HIS 73 CO 0.76 0.67 0.90 -2.30 -0.85 0.00 0.00 174.74 173.92 1krx n PRO 74 N 1.29 0.00 -2.77 8.40 -0.02 -1.26 -4.23 135.00 136.40 1krx n PRO 74 Ca -0.14 0.47 -0.10 0.00 -2.02 0.00 0.00 63.50 61.71 1krx n PRO 74 Cb 0.53 -1.43 0.05 0.00 -0.02 0.00 0.00 33.50 32.63 1krx n PRO 74 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1krx n MET 75 N -1.92 1.11 -2.24 -0.52 2.81 -1.24 -4.72 117.12 110.41 1krx n MET 75 Ca 0.00 -2.73 -0.43 0.00 -1.81 0.00 0.00 57.70 52.73 1krx n MET 75 Cb 0.00 -0.97 -0.02 0.00 -0.71 0.00 0.00 33.22 31.51 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 -2.92 3.81 0.19 4.03 2.96 -1.26 -4.68 118.68 120.81 1krx s LEU 76 Ca 0.27 1.34 -0.33 0.00 -0.22 0.00 0.00 54.13 55.20 1krx s LEU 76 Cb 0.40 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 43.42 1krx s LEU 76 CO -0.03 -1.26 1.42 -2.65 -1.32 0.00 0.00 176.35 172.51 1krx n PRO 77 N 7.67 1.87 -4.45 0.98 -0.02 -1.24 -4.28 135.00 135.55 1krx n PRO 77 Ca 0.17 0.67 -0.23 0.00 -2.02 0.00 0.00 63.50 62.09 1krx n PRO 77 Cb 0.46 -2.34 -0.13 0.00 -0.02 0.00 0.00 33.50 31.47 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 0.28 1.48 -0.17 -1.45 1.01 -1.25 -0.92 120.40 119.39 1krx s VAL 78 Ca 0.74 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1krx s VAL 78 Cb -0.71 -1.32 0.04 0.00 0.00 0.00 0.00 36.38 34.38 1krx s VAL 78 CO 0.46 0.06 -0.09 -0.63 0.00 0.00 0.00 175.10 174.90 1krx s ILE 79 N -0.93 1.34 0.08 2.22 1.01 0.24 -0.55 121.20 124.62 1krx s ILE 79 Ca 0.05 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 59.90 1krx s ILE 79 Cb -0.09 -1.42 -0.06 0.00 0.01 0.00 0.00 42.46 40.90 1krx s ILE 79 CO 0.02 0.22 0.40 -0.63 0.00 0.00 0.00 174.94 174.96 1krx s ILE 80 N 1.54 5.09 -0.22 2.92 1.09 -1.16 0.16 121.20 130.62 1krx s ILE 80 Ca 0.01 0.43 0.20 0.00 -1.10 0.00 0.00 60.65 60.20 1krx s ILE 80 Cb -0.15 -3.64 0.01 0.00 -1.06 0.00 0.00 42.46 37.62 1krx s ILE 80 CO -0.08 0.27 1.10 0.00 -0.10 0.00 0.00 174.94 176.12 1krx h MET 81 N 3.65 0.00 -3.15 2.79 -0.00 -1.62 0.87 114.93 117.46 1krx h MET 81 Ca -0.49 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.07 1krx h MET 81 Cb 1.19 0.00 -0.22 0.00 -0.00 0.00 0.00 31.60 32.57 1krx h MET 81 CO 0.67 0.14 -0.37 0.99 -0.00 0.00 0.00 176.91 178.33 1krx s THR 82 N -3.17 0.04 -0.16 -0.10 2.01 -1.16 -0.72 115.64 112.38 1krx s THR 82 Ca 0.00 -0.32 0.15 0.00 0.31 0.00 0.00 61.69 61.84 1krx s THR 82 Cb 0.08 -0.48 -0.21 0.00 0.01 0.00 0.00 72.50 71.90 1krx s THR 82 CO 0.78 -0.17 0.08 0.00 -0.69 0.00 0.00 174.62 174.61 1krx n ALA 83 N 2.03 1.66 -0.24 7.40 0.00 -1.26 -4.68 120.51 125.42 1krx n ALA 83 Ca -0.18 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.19 1krx n ALA 83 Cb 0.57 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -2.59 0.00 -4.03 0.00 8.25 -1.26 -4.59 115.22 111.00 1krx n HIS 84 Ca -0.26 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.15 1krx n HIS 84 Cb 1.01 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.10 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 2.20 -0.24 -2.83 0.41 7.64 -1.26 -4.90 113.62 114.65 1krx n SER 85 Ca 0.00 -1.63 -0.21 0.00 1.01 0.00 0.00 58.87 58.04 1krx n SER 85 Cb 0.00 0.53 0.02 0.00 -1.01 0.00 0.00 64.21 63.74 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 -2.52 -5.66 0.26 6.43 8.00 -1.26 -4.78 116.55 117.02 1krx n ASP 86 Ca 0.02 -0.18 0.13 0.00 0.71 0.00 0.00 54.79 55.47 1krx n ASP 86 Cb 0.18 -4.64 0.57 0.00 -0.02 0.00 0.00 41.12 37.21 1krx n ASP 86 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1krx h LEU 87 N -0.84 0.00 -0.82 0.64 3.38 -1.90 -2.14 115.31 113.63 1krx h LEU 87 Ca -0.49 0.00 0.20 0.00 0.09 0.00 0.00 57.88 57.67 1krx h LEU 87 Cb 1.35 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.97 1krx h LEU 87 CO 0.55 0.00 0.25 0.44 0.09 0.00 0.00 178.44 179.78 1krx h ASP 88 N 0.00 0.10 0.89 -0.43 3.32 -1.99 0.64 116.42 118.94 1krx h ASP 88 Ca 0.06 0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1krx h ASP 88 Cb 1.24 0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.98 1krx h ASP 88 CO -0.00 -0.06 -0.08 0.00 -1.72 0.00 0.00 179.24 177.38 1krx h ALA 89 N 1.69 1.03 -0.15 3.45 0.00 -1.76 -2.83 119.26 120.69 1krx h ALA 89 Ca 0.49 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.23 1krx h ALA 89 Cb 0.92 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1krx h ALA 89 CO -0.56 0.10 -0.35 0.00 0.00 0.00 0.00 179.25 178.44 1krx h ALA 90 N 1.92 1.14 -0.27 0.00 0.00 0.12 -2.05 119.26 120.13 1krx h ALA 90 Ca -0.00 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.35 1krx h ALA 90 Cb 0.54 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1krx h ALA 90 CO 0.01 0.56 -0.55 0.28 0.00 0.00 0.00 179.25 179.55 1krx h VAL 91 N 0.26 1.28 0.00 0.00 2.07 -1.30 -2.61 116.25 115.96 1krx h VAL 91 Ca 0.03 -1.75 -0.00 0.00 0.82 0.00 0.00 66.70 65.80 1krx h VAL 91 Cb 0.74 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1krx h VAL 91 CO 0.06 0.56 -0.01 0.77 0.02 0.00 0.00 177.57 178.97 1krx h SER 92 N 0.62 0.00 -0.43 0.57 4.64 -1.54 -2.75 113.55 114.65 1krx h SER 92 Ca 0.01 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.25 1krx h SER 92 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1krx h SER 92 CO 0.12 0.01 -0.05 0.00 -0.87 0.00 0.00 176.83 176.04 1krx h ALA 93 N 1.99 0.59 0.00 5.18 0.00 -0.98 0.13 119.26 126.17 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 0.48 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1krx h ALA 93 CO 0.00 0.43 -0.13 1.88 0.00 0.00 0.00 179.25 181.43 1krx h TYR 94 N 0.63 0.00 0.07 0.00 0.05 -1.43 0.79 116.97 117.09 1krx h TYR 94 Ca 0.12 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.62 1krx h TYR 94 Cb 0.57 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.33 1krx h TYR 94 CO 0.04 0.13 -1.14 0.37 -1.05 0.00 0.00 178.16 176.52 1krx h GLN 95 N 0.00 0.56 0.00 4.88 -0.00 -1.30 -3.22 115.11 116.03 1krx h GLN 95 Ca -0.00 -0.70 0.00 0.00 -0.00 0.00 0.00 58.65 57.95 1krx h GLN 95 Cb 0.33 0.22 0.00 0.00 0.00 0.00 0.00 27.48 28.03 1krx h GLN 95 CO 0.02 1.29 0.00 -0.56 0.00 0.00 0.00 178.83 179.58 1krx h GLN 96 N 0.27 0.00 0.00 1.69 -0.00 -0.33 -3.47 115.11 113.27 1krx h GLN 96 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.50 1krx h GLN 96 Cb 1.80 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.28 1krx h GLN 96 CO 0.21 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.45 1krx n GLY 97 N 0.86 0.98 3.35 0.06 0.00 -0.39 -3.68 105.19 106.37 1krx n GLY 97 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.60 -0.08 4.61 0.00 0.26 -3.61 120.51 119.09 1krx n ALA 98 Ca 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 53.44 52.93 1krx n ALA 98 Cb 0.00 -1.67 -0.08 0.00 0.00 0.00 0.00 19.45 17.70 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 -0.71 0.00 0.00 0.00 3.57 -1.11 -3.40 116.94 115.29 1krx h PHE 99 Ca -0.44 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1krx h PHE 99 Cb 1.34 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.08 1krx h PHE 99 CO 0.32 0.81 0.00 -0.25 -2.23 0.00 0.00 178.31 176.96 1krx n ASP 100 N -4.57 0.00 -4.22 0.41 9.92 -1.15 -4.98 116.55 111.96 1krx n ASP 100 Ca -0.17 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.79 1krx n ASP 100 Cb 0.44 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 40.75 1krx n ASP 100 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1krx s TYR 101 N -3.00 2.29 0.00 1.24 1.51 -1.26 -3.00 117.35 115.13 1krx s TYR 101 Ca 0.00 -0.75 0.08 0.00 -1.01 0.00 0.00 57.07 55.39 1krx s TYR 101 Cb 0.00 -1.52 -0.02 0.00 -0.11 0.00 0.00 41.96 40.31 1krx s TYR 101 CO 0.00 -0.26 -0.25 -1.17 -1.11 0.00 0.00 175.55 172.76 1krx s LEU 102 N 0.03 2.09 1.13 -1.29 2.96 0.30 -4.96 118.68 118.93 1krx s LEU 102 Ca -0.08 -0.50 -0.15 0.00 -0.22 0.00 0.00 54.13 53.19 1krx s LEU 102 Cb -0.14 -1.27 0.20 0.00 0.50 0.00 0.00 46.19 45.48 1krx s LEU 102 CO 0.05 0.28 0.62 -0.81 -1.32 0.00 0.00 176.35 175.17 1krx n PRO 103 N 2.22 -1.94 -0.29 0.98 -0.04 -1.25 -2.97 135.00 131.71 1krx n PRO 103 Ca -0.16 -0.54 -0.03 0.00 -0.04 0.00 0.00 63.50 62.73 1krx n PRO 103 Cb 0.52 -1.99 0.02 0.00 -0.04 0.00 0.00 33.50 32.01 1krx n PRO 103 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1krx h LYS 104 N -2.37 -0.08 -6.51 0.54 3.11 -1.31 -3.41 116.57 106.54 1krx h LYS 104 Ca -0.57 0.01 -0.51 0.00 -2.81 0.00 0.00 60.65 56.77 1krx h LYS 104 Cb 1.34 0.02 0.23 0.00 -1.00 0.00 0.00 32.23 32.82 1krx h LYS 104 CO 0.44 -0.05 -1.23 -0.35 -2.81 0.00 0.00 179.45 175.45 1krx n PRO 105 N -5.45 -0.57 0.00 1.90 -0.04 -1.26 -4.85 135.00 124.72 1krx n PRO 105 Ca 0.07 -0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1krx n PRO 105 Cb 0.38 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 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 -3.60 0.00 -1.00 0.54 1.16 -1.26 -4.91 117.46 108.38 1krx n PHE 106 Ca 0.02 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 55.69 1krx n PHE 106 Cb 0.59 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.44 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 -4.22 -0.12 5.98 5.68 -1.26 0.58 116.55 123.19 1krx n ASP 107 Ca 0.00 0.69 -0.05 0.00 -0.50 0.00 0.00 54.79 54.93 1krx n ASP 107 Cb 0.00 -2.14 0.03 0.00 -1.14 0.00 0.00 41.12 37.87 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 -0.59 0.84 0.37 2.12 5.03 -1.95 1.99 117.51 125.32 1krx h ILE 108 Ca 0.01 -0.09 -0.00 0.00 -0.12 0.00 0.00 64.86 64.66 1krx h ILE 108 Cb 0.58 0.55 -0.03 0.00 -3.03 0.00 0.00 36.82 34.90 1krx h ILE 108 CO 0.00 0.05 -0.46 -0.78 -0.68 0.00 0.00 178.15 176.29 1krx h ASP 109 N 0.27 -1.27 1.30 1.72 1.82 -1.98 0.56 116.42 118.84 1krx h ASP 109 Ca 0.19 0.11 -0.13 0.00 -0.39 0.00 0.00 57.03 56.82 1krx h ASP 109 Cb 0.20 0.44 -0.02 0.00 0.68 0.00 0.00 39.33 40.63 1krx h ASP 109 CO -0.22 -0.59 -0.72 -0.33 -1.61 0.00 0.00 179.24 175.78 1krx h GLU 110 N -0.86 0.00 0.00 0.28 4.39 0.29 -2.82 114.58 115.86 1krx h GLU 110 Ca -0.03 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 1krx h GLU 110 Cb 0.78 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1krx h GLU 110 CO -0.11 0.51 -0.38 0.00 -1.16 0.00 0.00 179.01 177.86 1krx h ALA 111 N 1.44 0.08 -0.26 3.43 0.00 0.42 -3.05 119.26 121.32 1krx h ALA 111 Ca -0.03 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 1krx h ALA 111 Cb 1.46 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1krx h ALA 111 CO 0.07 0.22 0.10 0.28 0.00 0.00 0.00 179.25 179.92 1krx h VAL 112 N -1.00 1.10 0.01 0.00 2.07 0.09 0.20 116.25 118.72 1krx h VAL 112 Ca -0.10 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.11 1krx h VAL 112 Cb 0.99 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1krx h VAL 112 CO -0.06 0.12 -0.04 0.00 0.02 0.00 0.00 177.57 177.61 1krx h ALA 113 N 1.76 -0.05 0.00 1.67 0.00 -1.52 -1.34 119.26 119.77 1krx h ALA 113 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1krx h ALA 113 Cb 0.08 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1krx h ALA 113 CO -0.01 -0.54 -0.09 1.25 0.00 0.00 0.00 179.25 179.86 1krx h LEU 114 N -0.08 0.00 0.04 0.00 5.85 -1.28 -3.12 115.31 116.72 1krx h LEU 114 Ca 0.02 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 1krx h LEU 114 Cb 0.10 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.14 1krx h LEU 114 CO -0.04 0.09 -0.32 1.62 -0.34 0.00 0.00 178.44 179.44 1krx h VAL 115 N 0.00 1.61 -0.64 1.05 3.04 -0.25 -2.68 116.25 118.39 1krx h VAL 115 Ca -0.00 -2.23 -0.03 0.00 -1.01 0.00 0.00 66.70 63.43 1krx h VAL 115 Cb 0.92 3.07 -0.03 0.00 -2.01 0.00 0.00 31.29 33.25 1krx h VAL 115 CO 0.01 0.61 0.28 -0.33 -1.01 0.00 0.00 177.57 177.13 1krx h GLU 116 N -0.62 0.93 0.00 4.17 5.08 -1.36 -1.53 114.58 121.26 1krx h GLU 116 Ca -0.05 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1krx h GLU 116 Cb 1.17 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 1krx h GLU 116 CO 0.06 0.76 -0.15 0.00 -1.00 0.00 0.00 179.01 178.69 1krx h ARG 117 N 0.88 0.00 0.14 2.33 3.08 -1.65 -1.94 114.38 117.22 1krx h ARG 117 Ca 0.22 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 1krx h ARG 117 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1krx h ARG 117 CO -0.02 0.15 -0.07 0.00 -1.07 0.00 0.00 179.97 178.95 1krx h ALA 118 N 1.85 -0.19 -0.13 0.04 0.00 -0.95 -2.27 119.26 117.61 1krx h ALA 118 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1krx h ALA 118 Cb 0.44 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1krx h ALA 118 CO 0.02 -0.28 0.03 0.82 0.00 0.00 0.00 179.25 179.84 1krx h ILE 119 N -0.85 1.07 -0.33 0.00 2.04 -1.25 -2.13 117.51 116.05 1krx h ILE 119 Ca -0.02 -0.25 -0.15 0.00 1.00 0.00 0.00 64.86 65.44 1krx h ILE 119 Cb 0.53 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1krx h ILE 119 CO 0.03 0.09 -0.37 -1.28 0.00 0.00 0.00 178.15 176.62 1krx h SER 120 N 0.19 0.90 -0.58 1.72 0.87 -1.39 0.30 113.55 115.55 1krx h SER 120 Ca 0.05 -0.48 -0.04 0.00 -1.23 0.00 0.00 61.79 60.09 1krx h SER 120 Cb 0.08 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 1krx h SER 120 CO -0.00 1.20 0.21 0.45 -0.53 0.00 0.00 176.83 178.16 1krx h HIS 121 N 0.62 0.91 0.05 2.24 3.86 -0.78 -3.24 115.15 118.81 1krx h HIS 121 Ca 0.05 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1krx h HIS 121 Cb 0.96 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.16 1krx h HIS 121 CO 0.07 0.74 -0.02 1.88 0.86 0.00 0.00 177.93 181.46 1krx h TYR 122 N 0.81 -0.06 -3.24 2.45 0.05 -1.42 -3.50 116.97 112.06 1krx h TYR 122 Ca 0.19 -0.00 0.39 0.00 0.05 0.00 0.00 58.73 59.36 1krx h TYR 122 Cb 0.24 0.02 -0.11 0.00 1.01 0.00 0.00 36.73 37.89 1krx h TYR 122 CO 0.01 0.56 -0.62 0.94 -1.05 0.00 0.00 178.16 178.00 1krx n GLN 123 N -4.76 -2.95 -0.53 4.88 7.27 0.10 -5.11 117.38 116.29 1krx n GLN 123 Ca -0.08 2.01 0.00 0.00 0.07 0.00 0.00 57.00 59.01 1krx n GLN 123 Cb 0.32 -3.58 0.00 0.00 2.41 0.00 0.00 30.24 29.39 1krx n GLN 123 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22