#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yrk n SER -1 N 0.00 1.47 -1.60 1.61 7.64 -1.14 -4.97 113.62 116.63 1yrk n SER -1 Ca 0.00 -1.16 -0.17 0.00 1.01 0.00 0.00 58.87 58.55 1yrk n SER -1 Cb 0.00 0.45 -0.04 0.00 -1.01 0.00 0.00 64.21 63.61 1yrk n SER -1 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1yrk n HIS 0 N -0.55 -0.37 -2.27 1.43 -0.00 -0.83 -5.01 115.22 107.62 1yrk n HIS 0 Ca 0.09 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.54 1yrk n HIS 0 Cb 0.40 -3.16 0.16 0.00 -0.00 0.00 0.00 29.99 27.39 1yrk n HIS 0 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1yrk n MET 1 N -2.57 -0.71 -2.29 -0.41 2.00 0.33 -5.02 117.12 108.46 1yrk n MET 1 Ca -0.19 -2.40 -0.42 0.00 0.00 0.00 0.00 57.70 54.69 1yrk n MET 1 Cb 0.60 -1.02 -0.03 0.00 0.00 0.00 0.00 33.22 32.77 1yrk n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1yrk s ALA 2 N -3.58 3.50 0.78 3.04 0.00 -1.26 -4.44 121.76 119.80 1yrk s ALA 2 Ca 0.71 0.99 -0.13 0.00 0.00 0.00 0.00 51.96 53.53 1yrk s ALA 2 Cb -0.03 -3.50 0.07 0.00 0.00 0.00 0.00 23.12 19.66 1yrk s ALA 2 CO 0.49 -0.54 1.17 -2.14 0.00 0.00 0.00 175.76 174.74 1yrk s PRO 3 N 1.12 1.91 0.22 0.00 0.02 -1.26 -4.55 135.00 132.46 1yrk s PRO 3 Ca 0.62 1.62 -0.15 0.00 0.02 0.00 0.00 61.00 63.11 1yrk s PRO 3 Cb -0.33 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.38 1yrk s PRO 3 CO 0.30 -1.98 0.50 -0.59 -0.33 0.00 0.00 177.00 174.89 1yrk s PHE 4 N -2.27 0.13 -0.03 6.54 -0.12 -0.55 -2.86 117.98 118.81 1yrk s PHE 4 Ca 0.71 -0.49 -0.00 0.00 -0.05 0.00 0.00 56.93 57.09 1yrk s PHE 4 Cb -0.26 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 1yrk s PHE 4 CO 0.49 -0.96 0.02 -0.51 -0.05 0.00 0.00 175.22 174.21 1yrk s LEU 5 N -2.95 3.64 -0.20 -1.99 1.43 -0.08 -0.71 118.68 117.83 1yrk s LEU 5 Ca 0.16 0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1yrk s LEU 5 Cb -0.01 -2.02 -0.00 0.00 0.03 0.00 0.00 46.19 44.19 1yrk s LEU 5 CO 0.03 0.31 -0.09 -0.60 0.23 0.00 0.00 176.35 176.24 1yrk s ARG 6 N -1.40 3.30 0.08 1.70 3.52 -0.07 -0.22 118.95 125.87 1yrk s ARG 6 Ca 0.18 -0.67 0.09 0.00 -0.13 0.00 0.00 55.73 55.21 1yrk s ARG 6 Cb -0.12 -2.87 -0.03 0.00 -1.56 0.00 0.00 34.95 30.37 1yrk s ARG 6 CO 0.09 -0.14 -0.25 0.42 -0.81 0.00 0.00 175.30 174.61 1yrk s ILE 7 N 1.27 2.33 -0.06 4.11 1.01 0.14 -1.18 121.20 128.83 1yrk s ILE 7 Ca 0.03 -1.49 -0.06 0.00 0.00 0.00 0.00 60.65 59.13 1yrk s ILE 7 Cb -0.14 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.37 1yrk s ILE 7 CO -0.04 0.25 0.17 0.00 0.00 0.00 0.00 174.94 175.32 1yrk s ALA 8 N -0.93 -0.41 -0.46 9.38 0.00 -0.48 -1.33 121.76 127.53 1yrk s ALA 8 Ca 0.13 0.43 -0.16 0.00 0.00 0.00 0.00 51.96 52.36 1yrk s ALA 8 Cb -0.10 -0.25 0.05 0.00 0.00 0.00 0.00 23.12 22.83 1yrk s ALA 8 CO 0.04 -0.09 0.42 -0.06 0.00 0.00 0.00 175.76 176.08 1yrk s PHE 9 N -0.02 3.20 -0.53 0.00 0.08 -1.26 -0.65 117.98 118.79 1yrk s PHE 9 Ca -0.01 -0.73 0.24 0.00 0.12 0.00 0.00 56.93 56.54 1yrk s PHE 9 Cb -0.02 -3.09 0.28 0.00 -0.57 0.00 0.00 43.02 39.62 1yrk s PHE 9 CO 0.00 -0.79 1.29 -0.91 -0.10 0.00 0.00 175.22 174.72 1yrk h ASN 10 N 8.77 0.00 -5.31 1.36 2.35 -1.39 0.13 115.58 121.48 1yrk h ASN 10 Ca -0.28 -0.14 0.12 0.00 -0.55 0.00 0.00 56.30 55.46 1yrk h ASN 10 Cb 1.11 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.45 1yrk h ASN 10 CO 0.86 0.07 0.50 -0.55 -1.65 0.00 0.00 177.43 176.66 1yrk s SER 11 N -4.65 -0.02 0.20 5.81 0.15 -1.23 -4.74 113.70 109.22 1yrk s SER 11 Ca 0.05 -0.74 -0.23 0.00 0.70 0.00 0.00 55.95 55.73 1yrk s SER 11 Cb 0.12 0.58 0.05 0.00 -1.71 0.00 0.00 66.02 65.05 1yrk s SER 11 CO 0.73 -1.14 0.69 -0.72 1.20 0.00 0.00 173.24 174.00 1yrk s TYR 12 N -2.35 -0.36 -0.04 3.44 1.13 -1.26 -1.13 117.35 116.78 1yrk s TYR 12 Ca 0.19 0.04 -0.02 0.00 -1.41 0.00 0.00 57.07 55.88 1yrk s TYR 12 Cb -0.03 0.63 0.03 0.00 -1.10 0.00 0.00 41.96 41.49 1yrk s TYR 12 CO 0.06 -1.00 0.05 -1.21 -2.51 0.00 0.00 175.55 170.95 1yrk s GLU 13 N -3.76 -0.03 0.15 -3.49 2.02 -0.55 -4.99 118.70 108.06 1yrk s GLU 13 Ca 0.06 0.32 -0.06 0.00 0.02 0.00 0.00 54.97 55.31 1yrk s GLU 13 Cb -0.03 -0.48 -0.00 0.00 0.10 0.00 0.00 34.13 33.71 1yrk s GLU 13 CO -0.03 -0.29 1.41 1.25 0.02 0.00 0.00 175.26 177.62 1yrk h LEU 14 N 8.19 0.70 0.00 1.80 5.85 -1.96 -1.86 115.31 128.02 1yrk h LEU 14 Ca -0.20 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.10 1yrk h LEU 14 Cb 1.12 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1yrk h LEU 14 CO 0.23 1.18 0.00 0.61 -0.34 0.00 0.00 178.44 180.12 1yrk n GLY 15 N 0.50 0.72 3.05 3.75 0.00 -1.26 -3.40 105.19 108.54 1yrk n GLY 15 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 1yrk n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yrk s SER 16 N -2.74 0.29 0.63 1.61 0.01 -1.26 -4.97 113.70 107.27 1yrk s SER 16 Ca 0.00 -0.65 -0.15 0.00 1.31 0.00 0.00 55.95 56.46 1yrk s SER 16 Cb 0.00 0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.37 1yrk s SER 16 CO 0.00 -0.44 1.08 -0.76 0.41 0.00 0.00 173.24 173.53 1yrk s LEU 17 N -2.04 3.42 0.05 2.44 2.01 -1.26 -5.06 118.68 118.24 1yrk s LEU 17 Ca -0.07 1.89 0.02 0.00 0.01 0.00 0.00 54.13 55.98 1yrk s LEU 17 Cb -0.03 -4.54 -0.03 0.00 0.01 0.00 0.00 46.19 41.61 1yrk s LEU 17 CO -0.04 -1.40 -0.07 -1.10 1.01 0.00 0.00 176.35 174.74 1yrk s GLN 18 N -4.15 0.58 0.44 1.70 -0.21 -1.26 -5.13 119.66 111.63 1yrk s GLN 18 Ca 0.65 -0.89 -0.25 0.00 0.02 0.00 0.00 55.36 54.88 1yrk s GLN 18 Cb -0.18 -0.20 -0.08 0.00 1.00 0.00 0.00 33.01 33.55 1yrk s GLN 18 CO 0.40 0.02 1.33 0.00 -2.12 0.00 0.00 175.29 174.92 1yrk s ALA 19 N -2.02 3.17 0.45 6.09 0.00 -1.26 -5.00 121.76 123.18 1yrk s ALA 19 Ca -0.05 1.28 -0.04 0.00 0.00 0.00 0.00 51.96 53.15 1yrk s ALA 19 Cb -0.06 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1yrk s ALA 19 CO -0.01 -0.98 0.73 -1.21 0.00 0.00 0.00 175.76 174.28 1yrk s GLU 20 N -2.43 3.53 -1.39 0.00 2.02 -1.26 -4.34 118.70 114.83 1yrk s GLU 20 Ca 0.61 0.07 -0.00 0.00 0.02 0.00 0.00 54.97 55.66 1yrk s GLU 20 Cb -0.39 -2.44 -0.00 0.00 0.10 0.00 0.00 34.13 31.40 1yrk s GLU 20 CO 0.49 -0.13 0.44 -0.25 0.02 0.00 0.00 175.26 175.84 1yrk n ASP 21 N -2.15 -0.45 -4.01 -0.19 9.92 -1.26 -4.98 116.55 113.43 1yrk n ASP 21 Ca -0.01 -0.99 -0.08 0.00 -0.53 0.00 0.00 54.79 53.18 1yrk n ASP 21 Cb 0.55 -3.13 -0.11 0.00 -0.64 0.00 0.00 41.12 37.79 1yrk n ASP 21 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1yrk s GLU 22 N -6.50 0.43 -1.30 -1.24 2.02 -1.26 -5.06 118.70 105.79 1yrk s GLU 22 Ca 0.01 -0.81 -0.12 0.00 0.02 0.00 0.00 54.97 54.07 1yrk s GLU 22 Cb -0.00 0.15 0.14 0.00 0.10 0.00 0.00 34.13 34.52 1yrk s GLU 22 CO 0.88 -0.08 1.84 0.00 0.02 0.00 0.00 175.26 177.93 1yrk n ALA 23 N 1.06 5.00 -1.48 5.21 0.00 -1.26 -4.69 120.51 124.34 1yrk n ALA 23 Ca -0.20 -4.20 0.05 0.00 0.00 0.00 0.00 53.44 49.09 1yrk n ALA 23 Cb 0.57 -3.13 0.20 0.00 0.00 0.00 0.00 19.45 17.09 1yrk n ALA 23 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1yrk n ASN 24 N 4.87 1.99 -4.71 0.00 0.23 -1.26 -5.02 115.26 111.35 1yrk n ASN 24 Ca 0.42 -3.74 -0.42 0.00 -0.53 0.00 0.00 54.58 50.31 1yrk n ASN 24 Cb 0.39 -0.53 -0.03 0.00 -2.08 0.00 0.00 39.78 37.52 1yrk n ASN 24 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 1yrk s GLN 25 N -3.18 4.35 1.05 -3.83 0.74 -1.26 -4.99 119.66 112.54 1yrk s GLN 25 Ca 0.38 1.93 -0.13 0.00 0.05 0.00 0.00 55.36 57.58 1yrk s GLN 25 Cb 0.36 -3.37 0.21 0.00 1.10 0.00 0.00 33.01 31.31 1yrk s GLN 25 CO -0.04 -0.41 1.09 -1.25 -0.55 0.00 0.00 175.29 174.13 1yrk s PRO 26 N 1.45 0.02 0.14 1.67 0.04 -1.26 -4.96 135.00 132.10 1yrk s PRO 26 Ca 0.62 0.43 -0.10 0.00 0.04 0.00 0.00 61.00 61.99 1yrk s PRO 26 Cb -0.32 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1yrk s PRO 26 CO 0.29 -2.99 0.28 -0.59 0.04 0.00 0.00 177.00 174.02 1yrk s PHE 27 N -2.94 0.22 -0.02 0.56 -0.71 -0.62 -4.95 117.98 109.52 1yrk s PHE 27 Ca 0.66 -0.61 -0.08 0.00 -1.04 0.00 0.00 56.93 55.87 1yrk s PHE 27 Cb -0.18 -0.00 -0.05 0.00 -1.21 0.00 0.00 43.02 41.58 1yrk s PHE 27 CO 0.58 -0.67 0.26 0.00 -1.34 0.00 0.00 175.22 174.06 1yrk s ALA 29 N -1.21 2.41 -0.10 0.00 0.00 -0.18 -4.02 121.76 118.66 1yrk s ALA 29 Ca 0.24 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.30 1yrk s ALA 29 Cb -0.13 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 21.99 1yrk s ALA 29 CO 0.13 0.30 -0.22 0.08 0.00 0.00 0.00 175.76 176.05 1yrk s VAL 30 N 0.23 1.92 -0.18 0.00 1.01 0.49 -0.97 120.40 122.88 1yrk s VAL 30 Ca -0.12 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 60.94 1yrk s VAL 30 Cb -0.16 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.59 1yrk s VAL 30 CO 0.06 0.53 -0.10 -0.54 0.00 0.00 0.00 175.10 175.05 1yrk s LYS 31 N 0.46 2.01 0.12 2.72 1.02 -0.20 -0.64 119.74 125.23 1yrk s LYS 31 Ca -0.17 -0.74 -0.25 0.00 0.02 0.00 0.00 55.97 54.83 1yrk s LYS 31 Cb -0.17 -2.30 -0.07 0.00 -0.52 0.00 0.00 37.83 34.77 1yrk s LYS 31 CO 0.07 -0.39 0.76 -1.64 -0.92 0.00 0.00 175.35 173.23 1yrk s MET 32 N 1.44 4.52 0.01 1.68 -1.94 -1.26 -0.90 119.30 122.85 1yrk s MET 32 Ca 0.00 1.10 0.03 0.00 -1.71 0.00 0.00 55.69 55.11 1yrk s MET 32 Cb -0.15 -3.29 -0.01 0.00 2.01 0.00 0.00 34.83 33.38 1yrk s MET 32 CO -0.09 0.49 -0.10 0.15 -0.01 0.00 0.00 175.02 175.46 1yrk s LYS 33 N -0.80 0.78 0.10 2.03 1.02 -0.18 -4.34 119.74 118.34 1yrk s LYS 33 Ca 0.36 -0.49 0.02 0.00 0.02 0.00 0.00 55.97 55.88 1yrk s LYS 33 Cb -0.22 -0.74 -0.04 0.00 -0.52 0.00 0.00 37.83 36.31 1yrk s LYS 33 CO 0.25 0.19 0.20 -1.21 -0.92 0.00 0.00 175.35 173.86 1yrk s GLU 34 N -0.59 3.29 0.09 1.68 0.41 0.42 -1.25 118.70 122.75 1yrk s GLU 34 Ca 0.02 -0.57 -0.26 0.00 -0.41 0.00 0.00 54.97 53.75 1yrk s GLU 34 Cb -0.05 -2.93 -0.06 0.00 -1.78 0.00 0.00 34.13 29.31 1yrk s GLU 34 CO 0.00 0.57 0.81 0.00 -0.49 0.00 0.00 175.26 176.15 1yrk s ALA 35 N -1.57 3.36 -0.11 5.21 0.00 -1.25 -0.62 121.76 126.78 1yrk s ALA 35 Ca 0.33 0.36 -0.00 0.00 0.00 0.00 0.00 51.96 52.66 1yrk s ALA 35 Cb -0.12 -3.04 0.02 0.00 0.00 0.00 0.00 23.12 19.98 1yrk s ALA 35 CO 0.27 0.11 -0.07 -1.17 0.00 0.00 0.00 175.76 174.89 1yrk s LEU 36 N -0.34 1.17 -0.06 0.00 2.96 0.05 -4.93 118.68 117.52 1yrk s LEU 36 Ca 0.39 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 1yrk s LEU 36 Cb -0.22 -0.83 -0.02 0.00 0.50 0.00 0.00 46.19 45.62 1yrk s LEU 36 CO 0.25 -0.12 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.56 1yrk s SER 37 N 1.70 3.86 0.16 3.68 0.01 -1.26 -0.72 113.70 121.13 1yrk s SER 37 Ca 0.05 -0.27 0.02 0.00 1.31 0.00 0.00 55.95 57.06 1yrk s SER 37 Cb -0.13 -0.95 -0.01 0.00 0.21 0.00 0.00 66.02 65.15 1yrk s SER 37 CO -0.08 0.30 0.16 0.35 0.41 0.00 0.00 173.24 174.38 1yrk n THR 38 N 2.61 0.00 1.30 1.44 -2.24 0.02 -4.98 114.28 112.43 1yrk n THR 38 Ca -0.17 -1.06 0.08 0.00 -2.27 0.00 0.00 64.05 60.62 1yrk n THR 38 Cb 0.52 0.56 0.45 0.00 -2.10 0.00 0.00 70.33 69.77 1yrk n THR 38 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1yrk n GLU 39 N -0.29 0.65 0.00 -0.78 0.00 -1.26 -1.51 120.64 117.45 1yrk n GLU 39 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.27 1yrk n GLU 39 Cb 0.28 -1.37 -0.04 0.00 0.00 0.00 0.00 31.44 30.32 1yrk n GLU 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1yrk n ARG 40 N -0.87 1.61 0.00 3.44 5.12 -1.26 -5.10 116.66 119.60 1yrk n ARG 40 Ca 0.11 -0.51 0.00 0.00 -1.93 0.00 0.00 57.85 55.52 1yrk n ARG 40 Cb 0.05 -1.29 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 1yrk n ARG 40 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yrk n GLY 41 N 1.27 0.38 3.48 -0.13 0.00 -0.57 -5.05 105.19 104.57 1yrk n GLY 41 Ca 0.06 -2.30 -0.33 0.00 0.00 0.00 0.00 46.02 43.45 1yrk n GLY 41 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yrk s LYS 42 N -0.01 2.56 0.31 1.61 2.20 -1.26 -0.80 119.74 124.36 1yrk s LYS 42 Ca 0.00 -0.68 0.04 0.00 -0.36 0.00 0.00 55.97 54.97 1yrk s LYS 42 Cb 0.00 -2.41 -0.02 0.00 -1.51 0.00 0.00 37.83 33.89 1yrk s LYS 42 CO 0.00 0.61 0.30 0.95 -0.36 0.00 0.00 175.35 176.85 1yrk s THR 43 N -0.69 0.00 0.12 3.43 -4.23 0.11 -4.98 115.64 109.40 1yrk s THR 43 Ca 0.10 -1.91 0.06 0.00 -1.18 0.00 0.00 61.69 58.77 1yrk s THR 43 Cb -0.11 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 1yrk s THR 43 CO 0.01 0.00 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.28 1yrk s LEU 44 N -3.31 3.23 -0.03 4.79 1.43 -1.26 -0.77 118.68 122.76 1yrk s LEU 44 Ca 0.38 -0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1yrk s LEU 44 Cb 0.02 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.30 1yrk s LEU 44 CO 0.24 0.16 0.03 -0.69 0.23 0.00 0.00 176.35 176.31 1yrk s VAL 45 N -1.37 0.03 -0.52 -1.59 1.01 0.21 -4.91 120.40 113.26 1yrk s VAL 45 Ca 0.24 0.22 -0.21 0.00 0.00 0.00 0.00 61.98 62.23 1yrk s VAL 45 Cb -0.11 -0.18 0.05 0.00 0.00 0.00 0.00 36.38 36.14 1yrk s VAL 45 CO 0.16 0.14 0.74 -1.58 0.00 0.00 0.00 175.10 174.56 1yrk s GLN 46 N 1.35 3.19 -0.14 2.72 0.74 -1.26 -0.43 119.66 125.82 1yrk s GLN 46 Ca -0.05 -0.68 -0.03 0.00 0.05 0.00 0.00 55.36 54.65 1yrk s GLN 46 Cb -0.13 -4.09 -0.24 0.00 1.10 0.00 0.00 33.01 29.65 1yrk s GLN 46 CO -0.03 -1.32 0.27 1.63 -0.55 0.00 0.00 175.29 175.29 1yrk n LYS 47 N 6.64 0.73 -2.79 1.67 4.76 -1.26 -4.92 118.16 122.99 1yrk n LYS 47 Ca -0.04 0.24 -0.41 0.00 -2.87 0.00 0.00 58.31 55.23 1yrk n LYS 47 Cb 0.46 -1.68 -0.04 0.00 -1.84 0.00 0.00 35.03 31.93 1yrk n LYS 47 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1yrk s LYS 48 N -2.55 4.63 0.76 1.97 2.20 -1.26 -5.02 119.74 120.46 1yrk s LYS 48 Ca -0.23 1.35 -0.15 0.00 -0.36 0.00 0.00 55.97 56.58 1yrk s LYS 48 Cb 0.07 -3.38 0.05 0.00 -1.51 0.00 0.00 37.83 33.06 1yrk s LYS 48 CO 0.74 0.20 1.24 -2.14 -0.36 0.00 0.00 175.35 175.03 1yrk s PRO 49 N 0.11 1.91 0.29 4.03 0.02 -1.26 -4.67 135.00 135.45 1yrk s PRO 49 Ca 0.45 1.88 -0.30 0.00 0.02 0.00 0.00 61.00 63.05 1yrk s PRO 49 Cb -0.22 -1.79 -0.12 0.00 0.02 0.00 0.00 34.50 32.39 1yrk s PRO 49 CO 0.28 -2.03 1.59 2.41 -0.33 0.00 0.00 177.00 178.91 1yrk n THR 50 N -2.85 1.04 -3.99 0.99 -1.04 -1.26 -4.84 114.28 102.33 1yrk n THR 50 Ca 0.14 -0.26 -0.31 0.00 -2.04 0.00 0.00 64.05 61.58 1yrk n THR 50 Cb 0.50 -1.94 -0.05 0.00 -1.82 0.00 0.00 70.33 67.01 1yrk n THR 50 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1yrk s MET 51 N -0.54 3.15 -0.53 -2.82 -1.94 0.18 -4.92 119.30 111.88 1yrk s MET 51 Ca 0.64 -0.56 0.06 0.00 -1.71 0.00 0.00 55.69 54.13 1yrk s MET 51 Cb -0.50 -2.88 0.23 0.00 2.01 0.00 0.00 34.83 33.68 1yrk s MET 51 CO 0.49 0.60 0.57 0.66 -0.01 0.00 0.00 175.02 177.32 1yrk n TYR 52 N 0.47 1.47 -2.23 -0.03 4.01 -1.26 -0.38 117.16 119.20 1yrk n TYR 52 Ca -0.08 -3.84 -0.41 0.00 -0.16 0.00 0.00 57.90 53.42 1yrk n TYR 52 Cb 0.51 -0.37 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 1yrk n TYR 52 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1yrk s PRO 53 N -1.48 4.43 0.64 -0.72 0.04 -1.26 -5.00 135.00 131.66 1yrk s PRO 53 Ca 0.35 2.07 -0.16 0.00 0.04 0.00 0.00 61.00 63.30 1yrk s PRO 53 Cb 0.11 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.50 1yrk s PRO 53 CO -0.10 -0.11 1.13 -1.21 0.04 0.00 0.00 177.00 176.75 1yrk s GLU 54 N -1.20 2.86 0.38 4.56 2.02 -1.26 -4.49 118.70 121.57 1yrk s GLU 54 Ca 0.50 1.49 -0.28 0.00 0.02 0.00 0.00 54.97 56.70 1yrk s GLU 54 Cb -0.37 -1.95 -0.11 0.00 0.10 0.00 0.00 34.13 31.80 1yrk s GLU 54 CO 0.46 -1.22 1.48 0.91 0.02 0.00 0.00 175.26 176.91 1yrk n TRP 55 N -2.17 2.96 -0.14 1.61 7.02 -1.26 -1.77 117.44 123.69 1yrk n TRP 55 Ca 0.11 0.45 0.00 0.00 -1.02 0.00 0.00 57.50 57.04 1yrk n TRP 55 Cb 0.51 -2.53 0.00 0.00 -2.42 0.00 0.00 31.31 26.88 1yrk n TRP 55 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1yrk n LYS 56 N 0.45 0.00 -2.83 -0.99 5.02 0.44 -5.00 118.16 115.25 1yrk n LYS 56 Ca 0.01 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.98 1yrk n LYS 56 Cb 0.39 -2.36 -0.06 0.00 -0.02 0.00 0.00 35.03 32.98 1yrk n LYS 56 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1yrk s SER 57 N -3.31 6.80 0.17 4.39 1.04 -0.73 -4.86 113.70 117.21 1yrk s SER 57 Ca 0.00 1.51 -0.00 0.00 0.48 0.00 0.00 55.95 57.94 1yrk s SER 57 Cb 0.00 -2.47 -0.04 0.00 0.10 0.00 0.00 66.02 63.61 1yrk s SER 57 CO 0.00 -0.36 0.35 0.42 0.98 0.00 0.00 173.24 174.63 1yrk s THR 58 N -2.23 5.24 0.01 2.02 -4.23 -1.26 -4.23 115.64 110.97 1yrk s THR 58 Ca 0.58 -0.41 -0.08 0.00 -1.18 0.00 0.00 61.69 60.60 1yrk s THR 58 Cb -0.10 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 70.03 1yrk s THR 58 CO 0.19 -0.12 0.16 0.72 -0.54 0.00 0.00 174.62 175.03 1yrk s PHE 59 N -1.80 0.05 0.15 3.99 -0.71 -0.44 -4.98 117.98 114.24 1yrk s PHE 59 Ca 0.37 -0.18 0.06 0.00 -1.04 0.00 0.00 56.93 56.14 1yrk s PHE 59 Cb -0.11 -0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.61 1yrk s PHE 59 CO 0.28 -0.33 0.05 -0.51 -1.34 0.00 0.00 175.22 173.38 1yrk s ASP 60 N -1.61 5.13 -0.17 1.98 1.01 -1.26 -0.69 116.67 121.07 1yrk s ASP 60 Ca -0.12 -0.23 -0.04 0.00 0.71 0.00 0.00 52.55 52.87 1yrk s ASP 60 Cb -0.05 -1.23 0.08 0.00 1.01 0.00 0.00 42.92 42.72 1yrk s ASP 60 CO 0.00 0.11 0.19 0.00 0.21 0.00 0.00 175.17 175.68 1yrk s ALA 61 N -1.63 -0.17 0.52 5.23 0.00 0.69 -4.98 121.76 121.44 1yrk s ALA 61 Ca 0.28 0.28 -0.22 0.00 0.00 0.00 0.00 51.96 52.31 1yrk s ALA 61 Cb -0.10 -1.15 -0.05 0.00 0.00 0.00 0.00 23.12 21.81 1yrk s ALA 61 CO 0.20 -1.03 1.28 -1.01 0.00 0.00 0.00 175.76 175.21 1yrk s HIS 62 N 2.30 2.48 -0.37 0.00 3.76 -1.26 -0.90 115.29 121.30 1yrk s HIS 62 Ca 0.05 1.44 -0.16 0.00 -0.15 0.00 0.00 55.06 56.24 1yrk s HIS 62 Cb -0.15 -3.64 0.00 0.00 1.11 0.00 0.00 32.58 29.91 1yrk s HIS 62 CO -0.10 -2.39 0.40 0.42 -0.85 0.00 0.00 174.74 172.22 1yrk s ILE 63 N -1.41 5.13 0.07 0.60 1.01 -1.14 -4.88 121.20 120.59 1yrk s ILE 63 Ca 0.70 -0.09 0.07 0.00 0.00 0.00 0.00 60.65 61.33 1yrk s ILE 63 Cb -0.36 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 1yrk s ILE 63 CO 0.42 -0.22 -0.18 -0.31 0.00 0.00 0.00 174.94 174.64 1yrk s TYR 64 N 2.08 1.59 0.04 3.97 2.02 -1.26 -4.89 117.35 120.91 1yrk s TYR 64 Ca 0.12 -0.40 -0.35 0.00 -0.37 0.00 0.00 57.07 56.08 1yrk s TYR 64 Cb -0.17 -0.91 -0.14 0.00 -0.40 0.00 0.00 41.96 40.34 1yrk s TYR 64 CO 0.12 0.11 1.62 -1.91 -1.57 0.00 0.00 175.55 173.92 1yrk n GLU 65 N 1.53 1.85 -0.45 -0.62 4.07 -1.26 -1.87 120.64 123.89 1yrk n GLU 65 Ca -0.19 0.67 0.00 0.00 -0.06 0.00 0.00 57.16 57.59 1yrk n GLU 65 Cb 0.54 -2.43 0.00 0.00 -0.06 0.00 0.00 31.44 29.49 1yrk n GLU 65 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1yrk n GLY 66 N 3.54 1.97 3.77 8.31 0.00 -1.26 -4.66 105.19 116.85 1yrk n GLY 66 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1yrk n GLY 66 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yrk s ARG 67 N -0.02 4.29 0.20 1.61 3.52 -0.78 -3.97 118.95 123.79 1yrk s ARG 67 Ca 0.00 2.15 0.08 0.00 -0.13 0.00 0.00 55.73 57.83 1yrk s ARG 67 Cb 0.00 -3.00 -0.05 0.00 -1.56 0.00 0.00 34.95 30.35 1yrk s ARG 67 CO 0.00 -0.22 -0.15 0.14 -0.81 0.00 0.00 175.30 174.26 1yrk s VAL 68 N -1.18 1.73 -0.13 7.11 -7.23 -0.38 -0.69 120.40 119.62 1yrk s VAL 68 Ca 0.50 -2.17 0.02 0.00 -1.81 0.00 0.00 61.98 58.52 1yrk s VAL 68 Cb -0.38 -2.01 0.01 0.00 0.56 0.00 0.00 36.38 34.56 1yrk s VAL 68 CO 0.50 -0.57 -0.18 -0.51 -0.31 0.00 0.00 175.10 174.04 1yrk s ILE 69 N -2.87 1.73 -0.19 -0.62 2.07 -0.35 -1.01 121.20 119.94 1yrk s ILE 69 Ca 0.21 -0.77 -0.07 0.00 -1.41 0.00 0.00 60.65 58.61 1yrk s ILE 69 Cb -0.01 -1.56 -0.04 0.00 0.13 0.00 0.00 42.46 40.98 1yrk s ILE 69 CO 0.07 0.49 0.06 -1.58 -1.91 0.00 0.00 174.94 172.06 1yrk s GLN 70 N 1.01 3.89 -0.22 3.50 0.74 -0.08 -1.67 119.66 126.83 1yrk s GLN 70 Ca -0.05 -0.39 -0.01 0.00 0.05 0.00 0.00 55.36 54.97 1yrk s GLN 70 Cb -0.15 -3.21 0.02 0.00 1.10 0.00 0.00 33.01 30.77 1yrk s GLN 70 CO -0.04 0.18 -0.10 0.42 -0.55 0.00 0.00 175.29 175.21 1yrk s ILE 71 N 0.61 2.74 -0.20 -2.34 1.01 0.12 -1.03 121.20 122.12 1yrk s ILE 71 Ca 0.03 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 1yrk s ILE 71 Cb -0.13 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.04 1yrk s ILE 71 CO 0.02 0.34 -0.11 -0.69 0.00 0.00 0.00 174.94 174.49 1yrk s VAL 72 N 1.34 2.81 -0.23 2.92 1.01 -0.15 -1.67 120.40 126.43 1yrk s VAL 72 Ca 0.03 -0.69 -0.25 0.00 0.00 0.00 0.00 61.98 61.07 1yrk s VAL 72 Cb -0.15 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 33.98 1yrk s VAL 72 CO -0.07 0.48 0.86 -0.22 0.00 0.00 0.00 175.10 176.15 1yrk s LEU 73 N 1.36 4.09 -0.15 3.92 2.96 -0.08 -1.01 118.68 129.77 1yrk s LEU 73 Ca 0.05 1.10 -0.07 0.00 -0.22 0.00 0.00 54.13 54.99 1yrk s LEU 73 Cb -0.14 -3.24 -0.04 0.00 0.50 0.00 0.00 46.19 43.27 1yrk s LEU 73 CO -0.07 -0.53 0.09 -0.04 -1.32 0.00 0.00 176.35 174.49 1yrk s MET 74 N 2.82 3.68 0.05 1.98 -1.94 0.83 -0.09 119.30 126.63 1yrk s MET 74 Ca 0.37 -0.25 0.11 0.00 -1.71 0.00 0.00 55.69 54.20 1yrk s MET 74 Cb -0.15 -3.18 -0.20 0.00 2.01 0.00 0.00 34.83 33.30 1yrk s MET 74 CO 0.08 0.52 0.97 -0.09 -0.01 0.00 0.00 175.02 176.49 1yrk h ARG 75 N 5.86 0.00 -1.91 2.03 2.43 -1.24 -1.65 114.38 119.90 1yrk h ARG 75 Ca -0.46 0.00 0.27 0.00 -0.81 0.00 0.00 59.98 58.98 1yrk h ARG 75 Cb 1.19 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.65 1yrk h ARG 75 CO 0.65 0.68 0.72 0.00 -1.51 0.00 0.00 179.97 180.51 1yrk s ALA 76 N -2.69 -2.04 0.33 2.80 0.00 -1.19 -4.72 121.76 114.25 1yrk s ALA 76 Ca -0.02 0.32 -0.29 0.00 0.00 0.00 0.00 51.96 51.98 1yrk s ALA 76 Cb 0.09 0.56 -0.12 0.00 0.00 0.00 0.00 23.12 23.64 1yrk s ALA 76 CO 0.82 -1.07 1.40 0.00 0.00 0.00 0.00 175.76 176.91 1yrk n ALA 77 N -0.57 1.72 -1.01 0.00 0.00 -1.26 -1.33 120.51 118.06 1yrk n ALA 77 Ca -0.06 0.37 -0.00 0.00 0.00 0.00 0.00 53.44 53.75 1yrk n ALA 77 Cb 0.61 -2.33 -0.00 0.00 0.00 0.00 0.00 19.45 17.73 1yrk n ALA 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1yrk n GLU 78 N 0.98 -1.56 -3.61 0.00 1.02 -1.26 -4.92 120.64 111.29 1yrk n GLU 78 Ca 0.05 0.40 -0.28 0.00 -0.02 0.00 0.00 57.16 57.32 1yrk n GLU 78 Cb 0.36 -4.57 -0.11 0.00 -0.02 0.00 0.00 31.44 27.09 1yrk n GLU 78 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1yrk s GLU 79 N -1.59 1.45 0.49 3.49 2.12 -0.45 -5.11 118.70 119.10 1yrk s GLU 79 Ca 0.00 -2.46 -0.21 0.00 0.36 0.00 0.00 54.97 52.66 1yrk s GLU 79 Cb 0.00 -2.19 -0.07 0.00 0.26 0.00 0.00 34.13 32.13 1yrk s GLU 79 CO 0.00 -1.31 1.12 -2.14 -0.54 0.00 0.00 175.26 172.39 1yrk s PRO 80 N -0.34 3.63 -0.26 4.30 0.02 -1.26 -0.77 135.00 140.32 1yrk s PRO 80 Ca 0.27 1.63 -0.06 0.00 0.02 0.00 0.00 61.00 62.86 1yrk s PRO 80 Cb -0.04 -2.21 -0.16 0.00 0.02 0.00 0.00 34.50 32.11 1yrk s PRO 80 CO -0.15 -0.62 -0.23 0.28 -0.33 0.00 0.00 177.00 175.95 1yrk n VAL 81 N -0.85 1.53 -3.76 3.83 0.31 0.87 -4.75 118.33 115.51 1yrk n VAL 81 Ca 0.09 -0.47 -0.02 0.00 -0.01 0.00 0.00 64.34 63.93 1yrk n VAL 81 Cb 0.50 -1.66 -0.00 0.00 -0.91 0.00 0.00 33.84 31.76 1yrk n VAL 81 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1yrk s SER 82 N -6.98 -0.11 0.27 4.52 1.04 -1.18 -4.47 113.70 106.78 1yrk s SER 82 Ca -0.36 -0.42 -0.20 0.00 0.48 0.00 0.00 55.95 55.45 1yrk s SER 82 Cb 0.11 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.68 1yrk s SER 82 CO 0.56 -0.81 0.68 -1.83 0.98 0.00 0.00 173.24 172.82 1yrk s GLU 83 N -2.87 1.72 -0.11 4.02 4.04 -0.25 -0.91 118.70 124.35 1yrk s GLU 83 Ca 0.15 -0.99 -0.19 0.00 0.04 0.00 0.00 54.97 53.98 1yrk s GLU 83 Cb -0.01 0.59 0.05 0.00 0.02 0.00 0.00 34.13 34.78 1yrk s GLU 83 CO 0.02 -0.78 0.48 0.54 -1.84 0.00 0.00 175.26 173.68 1yrk s VAL 84 N -3.92 0.02 -0.04 1.83 0.11 -0.67 -1.25 120.40 116.47 1yrk s VAL 84 Ca 0.12 -0.14 0.05 0.00 -2.93 0.00 0.00 61.98 59.08 1yrk s VAL 84 Cb -0.05 -0.74 -0.01 0.00 -1.53 0.00 0.00 36.38 34.06 1yrk s VAL 84 CO 0.06 -0.08 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.67 1yrk s THR 85 N -0.50 1.59 -0.02 5.04 2.01 -1.26 -0.71 115.64 121.79 1yrk s THR 85 Ca -0.06 -0.81 -0.06 0.00 0.31 0.00 0.00 61.69 61.07 1yrk s THR 85 Cb -0.03 -1.36 0.01 0.00 0.01 0.00 0.00 72.50 71.13 1yrk s THR 85 CO 0.04 0.45 0.13 0.54 -0.69 0.00 0.00 174.62 175.09 1yrk s VAL 86 N -0.06 0.05 0.32 3.82 0.11 -0.67 -4.98 120.40 119.00 1yrk s VAL 86 Ca -0.03 -0.42 -0.29 0.00 -2.93 0.00 0.00 61.98 58.31 1yrk s VAL 86 Cb -0.12 -0.33 -0.10 0.00 -1.53 0.00 0.00 36.38 34.30 1yrk s VAL 86 CO 0.02 -0.23 1.37 -0.83 -3.33 0.00 0.00 175.10 172.10 1yrk s GLY 87 N -0.79 2.85 0.29 6.54 0.00 -1.26 -1.21 107.32 113.74 1yrk s GLY 87 Ca -0.09 1.34 -0.01 0.00 0.00 0.00 0.00 44.72 45.96 1yrk s GLY 87 CO 0.01 2.05 1.88 -2.08 0.00 0.00 0.00 173.10 174.97 1yrk h VAL 88 N 3.12 1.21 0.00 1.40 2.07 -1.23 -2.12 116.25 120.71 1yrk h VAL 88 Ca -0.49 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 1yrk h VAL 88 Cb 1.23 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1yrk h VAL 88 CO 0.68 0.26 -0.18 0.77 0.02 0.00 0.00 177.57 179.12 1yrk h SER 89 N 0.89 0.00 -0.33 0.57 4.64 -1.87 -0.76 113.55 116.70 1yrk h SER 89 Ca 0.22 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.50 1yrk h SER 89 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1yrk h SER 89 CO -0.02 0.18 0.08 0.58 -0.87 0.00 0.00 176.83 176.78 1yrk h VAL 90 N 0.00 1.22 -0.47 0.95 2.07 -1.76 -0.89 116.25 117.37 1yrk h VAL 90 Ca -0.00 -0.73 -0.10 0.00 0.82 0.00 0.00 66.70 66.68 1yrk h VAL 90 Cb 0.33 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1yrk h VAL 90 CO 0.02 0.25 -0.11 -0.07 0.02 0.00 0.00 177.57 177.68 1yrk h LEU 91 N 0.38 0.87 -0.22 2.57 3.38 -1.33 -2.34 115.31 118.61 1yrk h LEU 91 Ca 0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1yrk h LEU 91 Cb 0.29 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1yrk h LEU 91 CO 0.00 1.00 0.11 0.00 0.09 0.00 0.00 178.44 179.64 1yrk h ALA 92 N 1.08 0.28 -0.60 1.53 0.00 -0.89 -2.00 119.26 118.65 1yrk h ALA 92 Ca 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1yrk h ALA 92 Cb 0.63 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1yrk h ALA 92 CO 0.04 -0.18 0.26 0.93 0.00 0.00 0.00 179.25 180.30 1yrk h GLU 93 N 0.23 0.87 -0.55 0.00 4.39 -1.09 -1.26 114.58 117.17 1yrk h GLU 93 Ca 0.08 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 1yrk h GLU 93 Cb 0.09 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 1yrk h GLU 93 CO -0.01 0.70 0.22 -0.09 -1.16 0.00 0.00 179.01 178.67 1yrk h ARG 94 N 0.86 0.80 -0.18 2.33 2.43 -1.10 -1.88 114.38 117.63 1yrk h ARG 94 Ca 0.21 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1yrk h ARG 94 Cb 0.14 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1yrk h ARG 94 CO -0.02 0.66 -0.07 0.00 -1.51 0.00 0.00 179.97 179.03 1yrk h LYS 96 N 0.07 0.82 0.00 0.00 1.57 -0.90 0.23 116.57 118.35 1yrk h LYS 96 Ca 0.04 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1yrk h LYS 96 Cb 0.54 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1yrk h LYS 96 CO 0.02 0.54 0.00 1.63 -0.57 0.00 0.00 179.45 181.08 1yrk n LYS 97 N -4.47 0.38 -2.56 3.15 5.02 -0.74 -3.67 118.16 115.27 1yrk n LYS 97 Ca 0.11 0.05 -0.16 0.00 -2.02 0.00 0.00 58.31 56.29 1yrk n LYS 97 Cb 0.19 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.72 1yrk n LYS 97 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1yrk n ASN 98 N -1.26 2.92 -2.19 4.39 5.15 0.02 -4.97 115.26 119.32 1yrk n ASN 98 Ca 0.12 -3.09 -0.21 0.00 -0.60 0.00 0.00 54.58 50.81 1yrk n ASN 98 Cb 0.18 -0.48 -0.03 0.00 -0.53 0.00 0.00 39.78 38.92 1yrk n ASN 98 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1yrk n ASN 99 N -0.32 -5.79 0.00 1.20 3.02 -1.18 -2.86 115.26 109.32 1yrk n ASN 99 Ca 0.22 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 1yrk n ASN 99 Cb 0.77 -4.87 0.00 0.00 -0.61 0.00 0.00 39.78 35.08 1yrk n ASN 99 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yrk n GLY 100 N -0.89 0.75 3.29 7.41 0.00 0.58 -5.01 105.19 111.32 1yrk n GLY 100 Ca -0.24 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 1yrk n GLY 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yrk s LYS 101 N -0.48 0.63 -0.02 1.61 2.20 -1.14 -0.64 119.74 121.91 1yrk s LYS 101 Ca 0.00 0.14 -0.14 0.00 -0.36 0.00 0.00 55.97 55.61 1yrk s LYS 101 Cb 0.00 0.29 0.02 0.00 -1.51 0.00 0.00 37.83 36.63 1yrk s LYS 101 CO 0.00 -0.15 0.29 0.00 -0.36 0.00 0.00 175.35 175.13 1yrk s ALA 102 N -0.73 -0.73 -0.13 3.13 0.00 -0.09 -4.67 121.76 118.55 1yrk s ALA 102 Ca -0.08 0.30 -0.04 0.00 0.00 0.00 0.00 51.96 52.14 1yrk s ALA 102 Cb -0.04 0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.19 1yrk s ALA 102 CO 0.03 -0.25 0.17 -2.00 0.00 0.00 0.00 175.76 173.72 1yrk s GLU 103 N -1.26 0.08 0.19 0.00 2.12 -1.26 -0.19 118.70 118.38 1yrk s GLU 103 Ca -0.13 0.39 -0.15 0.00 0.36 0.00 0.00 54.97 55.44 1yrk s GLU 103 Cb -0.05 -0.71 0.02 0.00 0.26 0.00 0.00 34.13 33.64 1yrk s GLU 103 CO 0.04 -0.45 0.46 -0.59 -0.54 0.00 0.00 175.26 174.18 1yrk s PHE 104 N 2.29 0.03 0.06 5.30 -0.12 -0.55 -4.97 117.98 120.02 1yrk s PHE 104 Ca 0.04 -0.38 -0.25 0.00 -0.05 0.00 0.00 56.93 56.28 1yrk s PHE 104 Cb -0.13 0.27 -0.06 0.00 -0.63 0.00 0.00 43.02 42.46 1yrk s PHE 104 CO -0.08 -0.86 0.77 -1.58 -0.05 0.00 0.00 175.22 173.41 1yrk s TRP 105 N -3.90 3.76 -0.20 3.49 0.52 -1.26 -0.85 118.94 120.49 1yrk s TRP 105 Ca 0.12 1.49 -0.01 0.00 0.02 0.00 0.00 56.10 57.72 1yrk s TRP 105 Cb 0.00 -2.82 0.01 0.00 -1.15 0.00 0.00 33.47 29.52 1yrk s TRP 105 CO -0.02 0.30 -0.14 -1.17 0.02 0.00 0.00 176.95 175.94 1yrk s LEU 106 N -0.17 2.43 0.21 2.99 2.96 0.31 -4.96 118.68 122.45 1yrk s LEU 106 Ca 0.38 -0.55 -0.30 0.00 -0.22 0.00 0.00 54.13 53.45 1yrk s LEU 106 Cb -0.21 -1.58 -0.08 0.00 0.50 0.00 0.00 46.19 44.82 1yrk s LEU 106 CO 0.23 -0.01 0.94 -1.81 -1.32 0.00 0.00 176.35 174.38 1yrk s ASP 107 N 1.36 7.61 0.28 3.68 1.01 -1.26 -1.49 116.67 127.86 1yrk s ASP 107 Ca 0.05 1.91 0.07 0.00 0.71 0.00 0.00 52.55 55.29 1yrk s ASP 107 Cb -0.14 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.16 1yrk s ASP 107 CO -0.09 0.12 0.24 -0.76 0.21 0.00 0.00 175.17 174.89 1yrk s LEU 108 N -0.97 3.74 -0.01 1.23 1.02 0.07 -4.80 118.68 118.97 1yrk s LEU 108 Ca 0.42 -0.34 0.08 0.00 0.02 0.00 0.00 54.13 54.31 1yrk s LEU 108 Cb -0.25 -2.31 -0.02 0.00 0.02 0.00 0.00 46.19 43.63 1yrk s LEU 108 CO 0.31 -0.16 -0.25 -1.10 0.02 0.00 0.00 176.35 175.16 1yrk s GLN 109 N -3.91 2.02 0.00 1.70 1.11 -0.38 -3.26 119.66 116.94 1yrk s GLN 109 Ca 0.36 -0.93 0.30 0.00 0.01 0.00 0.00 55.36 55.11 1yrk s GLN 109 Cb -0.07 -1.98 1.59 0.00 -1.01 0.00 0.00 33.01 31.54 1yrk s GLN 109 CO 0.26 0.54 2.08 -0.35 0.01 0.00 0.00 175.29 177.82 1yrk n PRO 110 N 2.37 0.54 -3.85 2.91 -0.04 -1.26 -1.09 135.00 134.57 1yrk n PRO 110 Ca -0.16 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.22 1yrk n PRO 110 Cb 0.51 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 1yrk n PRO 110 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1yrk s GLN 111 N -2.46 1.95 0.04 0.54 -2.07 -1.20 -5.14 119.66 111.32 1yrk s GLN 111 Ca 0.32 -1.18 0.00 0.00 -1.82 0.00 0.00 55.36 52.68 1yrk s GLN 111 Cb 0.20 0.61 0.00 0.00 -1.09 0.00 0.00 33.01 32.73 1yrk s GLN 111 CO 0.44 -0.90 0.00 0.00 -1.32 0.00 0.00 175.29 173.51 1yrk n ALA 112 N -0.48 -0.27 -3.15 2.60 0.00 -1.22 -4.37 120.51 113.61 1yrk n ALA 112 Ca -0.05 0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1yrk n ALA 112 Cb 0.59 -0.11 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 1yrk n ALA 112 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1yrk s LYS 113 N -2.42 0.82 0.03 0.00 -2.85 -0.70 -0.75 119.74 113.87 1yrk s LYS 113 Ca 0.00 -0.32 0.07 0.00 -1.00 0.00 0.00 55.97 54.72 1yrk s LYS 113 Cb 0.00 0.36 -0.02 0.00 -2.06 0.00 0.00 37.83 36.11 1yrk s LYS 113 CO 0.00 -0.26 -0.20 0.14 0.10 0.00 0.00 175.35 175.13 1yrk s VAL 114 N -2.09 1.60 -0.39 1.79 -7.23 -0.56 -1.48 120.40 112.04 1yrk s VAL 114 Ca -0.08 -1.08 -0.18 0.00 -1.81 0.00 0.00 61.98 58.83 1yrk s VAL 114 Cb -0.02 -1.38 0.01 0.00 0.56 0.00 0.00 36.38 35.55 1yrk s VAL 114 CO -0.00 0.26 0.48 -0.22 -0.31 0.00 0.00 175.10 175.32 1yrk s LEU 115 N -0.97 4.59 -0.16 1.32 2.96 -0.28 -0.53 118.68 125.60 1yrk s LEU 115 Ca 0.07 -0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 53.56 1yrk s LEU 115 Cb -0.08 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 1yrk s LEU 115 CO 0.01 -0.55 0.02 -0.32 -1.32 0.00 0.00 176.35 174.19 1yrk s MET 116 N 2.31 3.79 -0.19 1.98 -2.45 -0.03 -0.89 119.30 123.83 1yrk s MET 116 Ca 0.16 -0.42 -0.07 0.00 -1.25 0.00 0.00 55.69 54.10 1yrk s MET 116 Cb -0.16 -3.06 -0.04 0.00 1.25 0.00 0.00 34.83 32.82 1yrk s MET 116 CO 0.14 0.29 0.06 0.45 1.05 0.00 0.00 175.02 177.01 1yrk s SER 117 N 0.29 5.62 -0.03 1.11 0.15 0.17 -1.48 113.70 119.52 1yrk s SER 117 Ca 0.00 0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.75 1yrk s SER 117 Cb -0.13 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 1yrk s SER 117 CO 0.01 0.16 -0.09 -0.69 1.20 0.00 0.00 173.24 173.84 1yrk s VAL 118 N 0.42 0.79 -0.02 4.45 1.01 0.73 -1.38 120.40 126.40 1yrk s VAL 118 Ca 0.03 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1yrk s VAL 118 Cb -0.12 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 1yrk s VAL 118 CO 0.00 0.25 -0.15 -1.10 0.00 0.00 0.00 175.10 174.11 1yrk s GLN 119 N 0.26 1.32 -0.20 2.72 -0.21 -0.32 -0.91 119.66 122.31 1yrk s GLN 119 Ca -0.04 -0.52 -0.09 0.00 0.02 0.00 0.00 55.36 54.72 1yrk s GLN 119 Cb -0.09 -1.23 -0.05 0.00 1.00 0.00 0.00 33.01 32.64 1yrk s GLN 119 CO 0.01 0.28 0.11 -0.47 -2.12 0.00 0.00 175.29 173.09 1yrk s TYR 120 N -0.19 3.31 0.05 0.91 5.04 0.19 -0.89 117.35 125.76 1yrk s TYR 120 Ca 0.02 0.16 0.06 0.00 -2.44 0.00 0.00 57.07 54.87 1yrk s TYR 120 Cb -0.07 -2.16 -0.02 0.00 0.35 0.00 0.00 41.96 40.06 1yrk s TYR 120 CO 0.00 0.15 -0.16 -0.06 -1.34 0.00 0.00 175.55 174.15 1yrk s PHE 121 N 0.58 1.38 0.26 4.97 0.08 0.12 -4.91 117.98 120.46 1yrk s PHE 121 Ca 0.06 -0.37 0.02 0.00 0.12 0.00 0.00 56.93 56.76 1yrk s PHE 121 Cb -0.12 -0.81 -0.03 0.00 -0.57 0.00 0.00 43.02 41.48 1yrk s PHE 121 CO 0.01 0.06 0.43 -0.51 -0.10 0.00 0.00 175.22 175.10 1yrk s LEU 122 N -1.23 4.19 0.00 -0.37 1.43 -1.26 -1.48 118.68 119.96 1yrk s LEU 122 Ca 0.03 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1yrk s LEU 122 Cb -0.08 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 43.04 1yrk s LEU 122 CO 0.02 -0.14 0.28 1.21 0.23 0.00 0.00 176.35 177.95