#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qwe s PHE 10 N 0.00 2.10 -0.03 -1.42 0.40 -0.83 -3.97 117.98 114.23 1qwe s PHE 10 Ca 0.00 -0.60 -0.01 0.00 -0.60 0.00 0.00 56.93 55.72 1qwe s PHE 10 Cb 0.00 -2.20 0.03 0.00 0.51 0.00 0.00 43.02 41.36 1qwe s PHE 10 CO 0.00 -0.63 0.04 0.08 0.70 0.00 0.00 175.22 175.41 1qwe s VAL 11 N -2.56 -0.02 -0.61 -0.44 1.01 -0.99 -2.03 120.40 114.76 1qwe s VAL 11 Ca 0.53 0.27 -0.27 0.00 0.00 0.00 0.00 61.98 62.51 1qwe s VAL 11 Cb -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.17 1qwe s VAL 11 CO 0.32 0.14 1.58 0.00 0.00 0.00 0.00 175.10 177.14 1qwe s ALA 12 N 1.53 2.54 0.27 5.51 0.00 -0.90 -1.89 121.76 128.82 1qwe s ALA 12 Ca -0.03 -0.79 -0.02 0.00 0.00 0.00 0.00 51.96 51.13 1qwe s ALA 12 Cb -0.13 -4.22 0.44 0.00 0.00 0.00 0.00 23.12 19.22 1qwe s ALA 12 CO -0.03 -3.39 1.87 -0.07 0.00 0.00 0.00 175.76 174.14 1qwe h LEU 13 N 14.44 1.00 -9.52 0.00 3.38 -0.42 -2.41 115.31 121.79 1qwe h LEU 13 Ca -0.27 0.02 -0.58 0.00 0.09 0.00 0.00 57.88 57.13 1qwe h LEU 13 Cb 1.11 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.56 1qwe h LEU 13 CO 1.21 0.61 -0.65 -0.31 0.09 0.00 0.00 178.44 179.40 1qwe s TYR 14 N -6.02 2.53 -0.04 1.13 2.02 -1.04 -4.46 117.35 111.47 1qwe s TYR 14 Ca -0.12 -0.37 -0.30 0.00 -0.37 0.00 0.00 57.07 55.90 1qwe s TYR 14 Cb 0.21 -1.34 -0.02 0.00 -0.40 0.00 0.00 41.96 40.41 1qwe s TYR 14 CO 0.81 0.55 1.00 -0.51 -1.57 0.00 0.00 175.55 175.84 1qwe s ASP 15 N -3.67 7.31 -0.19 2.29 1.11 -1.26 -4.14 116.67 118.12 1qwe s ASP 15 Ca 0.33 1.63 -0.06 0.00 0.18 0.00 0.00 52.55 54.62 1qwe s ASP 15 Cb -0.02 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.37 1qwe s ASP 15 CO 0.19 -0.34 0.04 -0.47 1.18 0.00 0.00 175.17 175.76 1qwe s TYR 16 N 1.41 3.15 -0.58 4.23 5.04 0.45 -4.90 117.35 126.16 1qwe s TYR 16 Ca 0.51 -0.14 -0.17 0.00 -2.44 0.00 0.00 57.07 54.83 1qwe s TYR 16 Cb -0.20 -2.08 0.12 0.00 0.35 0.00 0.00 41.96 40.15 1qwe s TYR 16 CO 0.24 -0.01 0.61 -1.21 -1.34 0.00 0.00 175.55 173.85 1qwe s GLU 17 N 0.64 3.05 0.21 4.97 2.02 -1.26 -1.21 118.70 127.11 1qwe s GLU 17 Ca 0.02 -1.56 -0.32 0.00 0.02 0.00 0.00 54.97 53.12 1qwe s GLU 17 Cb -0.13 -4.30 -0.14 0.00 0.10 0.00 0.00 34.13 29.66 1qwe s GLU 17 CO 0.02 -1.43 1.38 -1.13 0.02 0.00 0.00 175.26 174.11 1qwe n SER 18 N 5.72 2.47 0.00 -0.19 3.41 -1.26 -4.86 113.62 118.91 1qwe n SER 18 Ca -0.10 1.13 0.10 0.00 -0.26 0.00 0.00 58.87 59.74 1qwe n SER 18 Cb 0.41 -1.38 -0.08 0.00 -0.26 0.00 0.00 64.21 62.91 1qwe n SER 18 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1qwe n ARG 19 N 2.19 0.01 -4.35 4.33 1.74 -1.26 -4.91 116.66 114.40 1qwe n ARG 19 Ca 0.13 -0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 57.01 1qwe n ARG 19 Cb 0.29 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.14 1qwe n ARG 19 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1qwe s THR 20 N -3.00 0.32 -1.57 0.55 -4.23 -1.26 -5.02 115.64 101.42 1qwe s THR 20 Ca 0.08 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.88 1qwe s THR 20 Cb 0.16 -2.49 0.44 0.00 1.34 0.00 0.00 72.50 71.96 1qwe s THR 20 CO 0.85 0.00 1.87 1.21 -0.54 0.00 0.00 174.62 178.01 1qwe n GLU 21 N -0.63 0.60 -0.15 3.99 2.13 -1.26 -3.30 120.64 122.01 1qwe n GLU 21 Ca 0.01 -0.18 0.08 0.00 0.66 0.00 0.00 57.16 57.72 1qwe n GLU 21 Cb 0.65 -1.50 0.24 0.00 0.27 0.00 0.00 31.44 31.10 1qwe n GLU 21 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1qwe n THR 22 N -1.04 0.40 -4.13 6.31 -2.24 -1.26 -4.87 114.28 107.45 1qwe n THR 22 Ca 0.14 -0.45 -0.10 0.00 -2.27 0.00 0.00 64.05 61.36 1qwe n THR 22 Cb 0.28 0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.71 1qwe n THR 22 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1qwe s ASP 23 N -1.20 0.95 -0.12 3.42 1.11 -1.21 -1.83 116.67 117.80 1qwe s ASP 23 Ca 0.28 -0.91 0.01 0.00 0.18 0.00 0.00 52.55 52.11 1qwe s ASP 23 Cb 0.15 0.10 -0.01 0.00 1.07 0.00 0.00 42.92 44.23 1qwe s ASP 23 CO 0.20 -0.44 -0.15 -0.76 1.18 0.00 0.00 175.17 175.21 1qwe s LEU 24 N -2.72 2.62 0.04 1.23 1.43 -1.04 -4.67 118.68 115.58 1qwe s LEU 24 Ca 0.06 -0.35 -0.28 0.00 -1.03 0.00 0.00 54.13 52.53 1qwe s LEU 24 Cb 0.03 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.62 1qwe s LEU 24 CO -0.05 0.18 0.89 -0.44 0.23 0.00 0.00 176.35 177.16 1qwe s SER 25 N 0.27 7.33 0.40 2.29 0.01 -1.26 -4.59 113.70 118.14 1qwe s SER 25 Ca -0.11 1.60 0.00 0.00 1.31 0.00 0.00 55.95 58.76 1qwe s SER 25 Cb -0.16 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 63.54 1qwe s SER 25 CO 0.06 -0.10 0.01 2.22 0.41 0.00 0.00 173.24 175.84 1qwe n PHE 26 N 3.20 0.85 -4.59 2.43 1.16 -0.35 -4.88 117.46 115.28 1qwe n PHE 26 Ca 0.02 -2.01 -0.28 0.00 -1.87 0.00 0.00 57.45 53.31 1qwe n PHE 26 Cb 0.50 -0.24 -0.08 0.00 -1.61 0.00 0.00 39.48 38.06 1qwe n PHE 26 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 1qwe s LYS 27 N -3.44 2.04 -0.36 3.97 1.02 -1.26 -0.41 119.74 121.30 1qwe s LYS 27 Ca 0.02 -2.27 -0.29 0.00 0.02 0.00 0.00 55.97 53.45 1qwe s LYS 27 Cb 0.00 -0.82 0.00 0.00 -0.52 0.00 0.00 37.83 36.49 1qwe s LYS 27 CO 0.01 -0.49 1.38 0.21 -0.92 0.00 0.00 175.35 175.55 1qwe s LYS 28 N -3.73 3.72 0.00 1.68 2.20 -1.26 -2.44 119.74 119.91 1qwe s LYS 28 Ca 0.17 1.09 0.00 0.00 -0.36 0.00 0.00 55.97 56.87 1qwe s LYS 28 Cb 0.01 -3.97 0.00 0.00 -1.51 0.00 0.00 37.83 32.36 1qwe s LYS 28 CO 0.11 -1.38 0.00 0.41 -0.36 0.00 0.00 175.35 174.13 1qwe n GLY 29 N 4.76 0.69 3.72 5.54 0.00 -0.91 -4.99 105.19 114.00 1qwe n GLY 29 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1qwe n GLY 29 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qwe s GLU 30 N -0.66 4.53 0.12 1.61 2.12 -1.02 -4.89 118.70 120.50 1qwe s GLU 30 Ca 0.00 1.25 -0.26 0.00 0.36 0.00 0.00 54.97 56.32 1qwe s GLU 30 Cb 0.00 -3.45 -0.07 0.00 0.26 0.00 0.00 34.13 30.88 1qwe s GLU 30 CO 0.00 0.02 0.82 1.03 -0.54 0.00 0.00 175.26 176.59 1qwe s ARG 31 N 0.82 4.59 -0.06 4.30 0.52 -1.26 -2.12 118.95 125.74 1qwe s ARG 31 Ca 0.47 1.20 0.01 0.00 -0.52 0.00 0.00 55.73 56.89 1qwe s ARG 31 Cb -0.20 -3.32 0.02 0.00 0.52 0.00 0.00 34.95 31.97 1qwe s ARG 31 CO 0.25 0.39 -0.05 -0.51 0.02 0.00 0.00 175.30 175.41 1qwe s LEU 32 N -0.53 1.20 -0.69 2.53 1.02 -0.86 -4.49 118.68 116.86 1qwe s LEU 32 Ca 0.39 -0.16 -0.27 0.00 0.02 0.00 0.00 54.13 54.11 1qwe s LEU 32 Cb -0.22 -0.53 0.02 0.00 0.02 0.00 0.00 46.19 45.48 1qwe s LEU 32 CO 0.26 -0.08 1.37 -1.58 0.02 0.00 0.00 176.35 176.34 1qwe s GLN 33 N 1.18 3.14 0.66 1.70 0.74 -1.00 -1.97 119.66 124.11 1qwe s GLN 33 Ca -0.07 -0.02 -0.17 0.00 0.05 0.00 0.00 55.36 55.16 1qwe s GLN 33 Cb -0.14 -4.19 -0.03 0.00 1.10 0.00 0.00 33.01 29.75 1qwe s GLN 33 CO -0.01 -2.19 0.85 -0.89 -0.55 0.00 0.00 175.29 172.50 1qwe n ILE 34 N 6.57 3.03 0.00 -2.34 2.08 -1.26 -1.37 119.36 126.06 1qwe n ILE 34 Ca 0.07 -0.44 0.00 0.00 0.56 0.00 0.00 62.75 62.93 1qwe n ILE 34 Cb 0.49 -1.02 0.00 0.00 -0.75 0.00 0.00 39.64 38.36 1qwe n ILE 34 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1qwe n VAL 35 N -2.11 0.00 -3.83 1.39 0.31 0.20 -4.82 118.33 109.47 1qwe n VAL 35 Ca 0.13 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.10 1qwe n VAL 35 Cb 0.49 -0.54 -0.13 0.00 -0.91 0.00 0.00 33.84 32.75 1qwe n VAL 35 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1qwe s ASN 36 N -1.63 4.89 -0.38 4.52 3.84 -1.23 -4.91 114.94 120.03 1qwe s ASN 36 Ca 0.00 -0.87 0.09 0.00 0.21 0.00 0.00 52.86 52.29 1qwe s ASN 36 Cb 0.00 -1.80 0.44 0.00 -0.55 0.00 0.00 41.25 39.34 1qwe s ASN 36 CO 0.00 -0.20 1.08 -0.46 -2.79 0.00 0.00 177.10 174.74 1qwe n ASN 37 N 4.78 3.82 -0.03 -4.21 6.94 -1.26 -2.31 115.26 122.98 1qwe n ASN 37 Ca -0.15 -3.40 0.00 0.00 -0.02 0.00 0.00 54.58 51.02 1qwe n ASN 37 Cb 0.47 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 1qwe n ASN 37 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 1qwe n THR 38 N -0.42 0.43 -0.07 5.53 5.66 -1.26 -4.85 114.28 119.30 1qwe n THR 38 Ca 0.31 -0.44 -0.04 0.00 -3.05 0.00 0.00 64.05 60.82 1qwe n THR 38 Cb 0.75 0.75 -0.02 0.00 -1.55 0.00 0.00 70.33 70.26 1qwe n THR 38 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1qwe h GLU 39 N 0.00 0.00 0.00 1.09 5.08 -1.84 -3.51 114.58 115.40 1qwe h GLU 39 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qwe h GLU 39 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1qwe h GLU 39 CO 0.00 0.03 0.00 0.41 -1.00 0.00 0.00 179.01 178.45 1qwe n GLY 40 N 1.63 2.99 0.04 -3.84 0.00 -1.26 -5.00 105.19 99.76 1qwe n GLY 40 Ca -0.07 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1qwe n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qwe n ASP 41 N 0.00 0.62 -4.71 1.61 9.92 -1.26 -4.83 116.55 117.90 1qwe n ASP 41 Ca 0.00 -0.04 -0.35 0.00 -0.53 0.00 0.00 54.79 53.87 1qwe n ASP 41 Cb 0.00 0.29 -0.09 0.00 -0.64 0.00 0.00 41.12 40.69 1qwe n ASP 41 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1qwe s TRP 42 N -3.12 3.28 0.27 1.24 0.52 -1.26 -1.15 118.94 118.71 1qwe s TRP 42 Ca 0.07 0.22 0.08 0.00 0.02 0.00 0.00 56.10 56.49 1qwe s TRP 42 Cb 0.15 -1.89 -0.06 0.00 -1.15 0.00 0.00 33.47 30.52 1qwe s TRP 42 CO 0.73 0.44 -0.09 -1.58 0.02 0.00 0.00 176.95 176.47 1qwe s TRP 43 N -0.59 1.99 -0.34 -1.98 0.51 -0.63 -4.68 118.94 113.21 1qwe s TRP 43 Ca 0.11 -0.62 -0.20 0.00 -2.12 0.00 0.00 56.10 53.26 1qwe s TRP 43 Cb -0.12 -1.08 -0.00 0.00 -0.81 0.00 0.00 33.47 31.46 1qwe s TRP 43 CO 0.02 0.37 0.63 -1.17 -0.51 0.00 0.00 176.95 176.29 1qwe s LEU 44 N -3.45 4.23 0.17 2.99 2.96 -0.98 -0.08 118.68 124.52 1qwe s LEU 44 Ca 0.29 0.22 0.06 0.00 -0.22 0.00 0.00 54.13 54.47 1qwe s LEU 44 Cb 0.02 -2.79 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 1qwe s LEU 44 CO 0.12 -0.56 0.11 0.00 -1.32 0.00 0.00 176.35 174.70 1qwe s ALA 45 N 2.67 3.48 -0.23 5.97 0.00 -1.00 0.61 121.76 133.27 1qwe s ALA 45 Ca 0.24 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 50.96 1qwe s ALA 45 Cb -0.15 -1.27 0.05 0.00 0.00 0.00 0.00 23.12 21.75 1qwe s ALA 45 CO 0.14 0.48 -0.10 -1.58 0.00 0.00 0.00 175.76 174.70 1qwe s HIS 46 N -1.77 2.74 0.13 0.00 2.46 -0.47 -1.84 115.29 116.53 1qwe s HIS 46 Ca 0.30 -1.89 -0.31 0.00 0.47 0.00 0.00 55.06 53.63 1qwe s HIS 46 Cb -0.10 -1.75 -0.09 0.00 -0.13 0.00 0.00 32.58 30.52 1qwe s HIS 46 CO 0.22 -0.80 1.49 -1.12 -2.47 0.00 0.00 174.74 172.06 1qwe s SER 47 N 1.29 6.71 0.11 9.88 0.01 -0.65 -2.38 113.70 128.66 1qwe s SER 47 Ca -0.04 2.45 0.24 0.00 1.31 0.00 0.00 55.95 59.90 1qwe s SER 47 Cb -0.18 -2.59 0.23 0.00 0.21 0.00 0.00 66.02 63.70 1qwe s SER 47 CO -0.07 -0.75 1.21 -0.07 0.41 0.00 0.00 173.24 173.98 1qwe h LEU 48 N 7.02 0.00 0.31 2.44 3.38 -1.90 -1.36 115.31 125.20 1qwe h LEU 48 Ca -0.42 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.31 1qwe h LEU 48 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1qwe h LEU 48 CO 0.89 0.11 -0.15 0.74 0.09 0.00 0.00 178.44 180.13 1qwe h THR 49 N 0.00 0.72 0.00 0.22 2.02 -1.89 -3.36 112.91 110.62 1qwe h THR 49 Ca 0.00 -0.34 -0.29 0.00 0.77 0.00 0.00 66.41 66.55 1qwe h THR 49 Cb 0.77 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 68.04 1qwe h THR 49 CO 0.00 0.07 -2.09 0.41 0.37 0.00 0.00 175.52 174.28 1qwe n THR 50 N -5.19 1.10 -0.25 3.16 -1.04 -1.26 -5.05 114.28 105.75 1qwe n THR 50 Ca -0.10 -0.57 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 1qwe n THR 50 Cb 0.23 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 1qwe n THR 50 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qwe n GLY 51 N 2.24 0.84 3.15 3.41 0.00 -0.52 -5.10 105.19 109.21 1qwe n GLY 51 Ca -0.29 -0.63 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 1qwe n GLY 51 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qwe s GLN 52 N -1.77 0.77 0.34 1.61 -0.21 -1.16 -4.96 119.66 114.27 1qwe s GLN 52 Ca 0.00 -1.04 -0.02 0.00 0.02 0.00 0.00 55.36 54.32 1qwe s GLN 52 Cb 0.00 -0.52 -0.04 0.00 1.00 0.00 0.00 33.01 33.45 1qwe s GLN 52 CO 0.00 0.09 0.57 0.99 -2.12 0.00 0.00 175.29 174.82 1qwe s THR 53 N -2.03 5.06 0.00 -0.19 2.01 -1.26 -1.64 115.64 117.59 1qwe s THR 53 Ca 0.01 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.82 1qwe s THR 53 Cb -0.05 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.65 1qwe s THR 53 CO 0.00 -0.49 0.00 0.61 -0.69 0.00 0.00 174.62 174.05 1qwe n GLY 54 N -1.48 0.82 3.06 4.40 0.00 -0.76 -4.53 105.19 106.70 1qwe n GLY 54 Ca -0.03 0.60 -0.25 0.00 0.00 0.00 0.00 46.02 46.34 1qwe n GLY 54 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qwe n TYR 55 N 0.00 -1.73 -3.56 1.61 4.01 -0.76 -2.37 117.16 114.36 1qwe n TYR 55 Ca 0.00 0.25 -0.16 0.00 -0.16 0.00 0.00 57.90 57.83 1qwe n TYR 55 Cb 0.00 -1.43 -0.06 0.00 -0.31 0.00 0.00 39.34 37.53 1qwe n TYR 55 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1qwe s ILE 56 N -2.10 0.00 -0.27 -0.72 -4.36 0.88 -2.50 121.20 112.13 1qwe s ILE 56 Ca 0.38 0.00 -0.29 0.00 -0.26 0.00 0.00 60.65 60.48 1qwe s ILE 56 Cb -0.03 -1.00 -0.00 0.00 1.25 0.00 0.00 42.46 42.67 1qwe s ILE 56 CO 0.47 0.00 1.31 -2.16 0.24 0.00 0.00 174.94 174.80 1qwe s PRO 57 N -0.60 3.96 0.45 0.37 0.04 -1.26 -1.61 135.00 136.35 1qwe s PRO 57 Ca -0.07 1.34 0.19 0.00 0.04 0.00 0.00 61.00 62.50 1qwe s PRO 57 Cb -0.02 -3.87 1.05 0.00 0.04 0.00 0.00 34.50 31.71 1qwe s PRO 57 CO 0.06 -1.06 1.95 0.66 0.04 0.00 0.00 177.00 178.66 1qwe h SER 58 N 9.18 0.00 0.51 6.66 4.64 -1.48 -1.55 113.55 131.51 1qwe h SER 58 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1qwe h SER 58 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1qwe h SER 58 CO 1.02 0.23 0.00 -0.46 -0.87 0.00 0.00 176.83 176.75 1qwe n ASN 59 N -3.97 0.15 -0.00 4.97 6.94 -1.26 -2.03 115.26 120.05 1qwe n ASN 59 Ca -0.02 0.54 0.08 0.00 -0.02 0.00 0.00 54.58 55.16 1qwe n ASN 59 Cb 0.31 -0.57 -0.10 0.00 -2.36 0.00 0.00 39.78 37.06 1qwe n ASN 59 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1qwe n TYR 60 N -1.67 0.00 -4.25 -2.53 4.02 -0.60 -4.98 117.16 107.16 1qwe n TYR 60 Ca 0.03 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.68 1qwe n TYR 60 Cb 0.17 -0.09 -0.08 0.00 -0.02 0.00 0.00 39.34 39.32 1qwe n TYR 60 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1qwe s VAL 61 N -2.64 2.65 0.02 -0.72 0.11 -0.86 0.32 120.40 119.27 1qwe s VAL 61 Ca 0.03 -1.86 -0.10 0.00 -2.93 0.00 0.00 61.98 57.13 1qwe s VAL 61 Cb 0.11 -2.88 0.01 0.00 -1.53 0.00 0.00 36.38 32.09 1qwe s VAL 61 CO 0.65 -0.16 0.19 0.00 -3.33 0.00 0.00 175.10 172.46 1qwe s ALA 62 N -2.51 -0.41 -0.25 1.54 0.00 -0.79 -4.81 121.76 114.52 1qwe s ALA 62 Ca 0.37 -0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.90 1qwe s ALA 62 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1qwe s ALA 62 CO 0.21 -0.29 1.16 -1.25 0.00 0.00 0.00 175.76 175.59 1qwe s PRO 63 N -1.93 4.14 0.00 0.00 0.04 -1.26 -2.35 135.00 133.64 1qwe s PRO 63 Ca -0.10 1.35 0.25 0.00 0.04 0.00 0.00 61.00 62.54 1qwe s PRO 63 Cb -0.04 -3.75 0.38 0.00 0.04 0.00 0.00 34.50 31.13 1qwe s PRO 63 CO -0.00 -0.82 1.37 0.45 0.04 0.00 0.00 177.00 178.04