#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bwl n ASP 3 N 0.00 5.83 -4.78 1.67 8.00 -1.26 -4.98 116.55 121.03 2bwl n ASP 3 Ca 0.00 -3.76 -0.34 0.00 0.71 0.00 0.00 54.79 51.39 2bwl n ASP 3 Cb 0.00 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 2bwl n ASP 3 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2bwl s SER 4 N -2.85 5.78 0.34 -2.24 1.04 -1.26 -4.92 113.70 109.58 2bwl s SER 4 Ca 0.53 2.06 0.10 0.00 0.48 0.00 0.00 55.95 59.13 2bwl s SER 4 Cb 0.43 -2.57 0.62 0.00 0.10 0.00 0.00 66.02 64.60 2bwl s SER 4 CO -0.09 -1.18 1.78 0.03 0.98 0.00 0.00 173.24 174.76 2bwl h ARG 5 N 1.04 0.09 -0.33 4.02 3.08 -1.95 -2.07 114.38 118.25 2bwl h ARG 5 Ca -0.49 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.49 2bwl h ARG 5 Cb 1.25 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 2bwl h ARG 5 CO 0.57 0.47 0.10 -0.92 -1.07 0.00 0.00 179.97 179.11 2bwl h TYR 6 N 0.08 0.54 -0.71 3.04 3.20 -1.89 -1.01 116.97 120.22 2bwl h TYR 6 Ca 0.01 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.87 2bwl h TYR 6 Cb 0.72 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 2bwl h TYR 6 CO 0.00 0.55 0.42 1.15 -1.64 0.00 0.00 178.16 178.64 2bwl h THR 7 N 0.38 1.00 -0.52 1.81 2.02 -1.85 -2.00 112.91 113.75 2bwl h THR 7 Ca 0.11 -0.26 -0.08 0.00 0.77 0.00 0.00 66.41 66.94 2bwl h THR 7 Cb 0.26 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 2bwl h THR 7 CO -0.00 0.14 -0.01 0.11 0.37 0.00 0.00 175.52 176.13 2bwl h LYS 8 N 0.77 0.89 -0.41 6.66 6.56 -1.22 -1.78 116.57 128.05 2bwl h LYS 8 Ca 0.31 -0.26 -0.01 0.00 -1.06 0.00 0.00 60.65 59.63 2bwl h LYS 8 Cb 0.16 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 31.71 2bwl h LYS 8 CO -0.17 0.90 0.23 0.35 -2.06 0.00 0.00 179.45 178.69 2bwl h PHE 9 N 0.82 0.55 -0.72 -1.35 3.04 -0.72 -0.77 116.94 117.79 2bwl h PHE 9 Ca 0.15 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.07 2bwl h PHE 9 Cb 0.51 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.81 2bwl h PHE 9 CO 0.03 0.42 0.36 -0.07 -2.02 0.00 0.00 178.31 177.03 2bwl h LEU 10 N 0.52 0.93 -0.77 0.59 3.38 -1.08 0.18 115.31 119.07 2bwl h LEU 10 Ca 0.14 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2bwl h LEU 10 Cb 0.04 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2bwl h LEU 10 CO -0.02 0.79 0.41 0.74 0.09 0.00 0.00 178.44 180.45 2bwl h THR 11 N 1.01 1.23 0.00 0.22 2.02 -0.98 -2.27 112.91 114.14 2bwl h THR 11 Ca 0.25 -0.60 -0.14 0.00 0.77 0.00 0.00 66.41 66.69 2bwl h THR 11 Cb 0.09 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 2bwl h THR 11 CO -0.03 0.26 -0.98 1.56 0.37 0.00 0.00 175.52 176.70 2bwl h GLN 12 N 1.07 0.00 0.00 6.66 4.20 -1.01 -3.42 115.11 122.61 2bwl h GLN 12 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 2bwl h GLN 12 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2bwl h GLN 12 CO -0.04 0.43 0.00 0.72 -0.67 0.00 0.00 178.83 179.27 2bwl n HIS 13 N -3.07 0.00 -4.67 2.96 8.25 0.04 -4.69 115.22 114.04 2bwl n HIS 13 Ca -0.04 -0.05 -0.33 0.00 -0.26 0.00 0.00 57.72 57.05 2bwl n HIS 13 Cb 0.80 -0.01 -0.16 0.00 1.12 0.00 0.00 29.99 31.74 2bwl n HIS 13 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2bwl s HIS 14 N -0.10 2.68 -0.26 4.41 2.46 -0.86 -0.29 115.29 123.33 2bwl s HIS 14 Ca 0.00 -1.32 -0.04 0.00 0.47 0.00 0.00 55.06 54.18 2bwl s HIS 14 Cb 0.00 -1.82 0.10 0.00 -0.13 0.00 0.00 32.58 30.73 2bwl s HIS 14 CO 0.00 -0.60 0.15 0.34 -2.47 0.00 0.00 174.74 172.17 2bwl s ASP 15 N 0.81 2.82 0.16 9.88 2.15 -0.78 -4.86 116.67 126.84 2bwl s ASP 15 Ca -0.07 -0.98 -0.13 0.00 0.43 0.00 0.00 52.55 51.80 2bwl s ASP 15 Cb -0.16 -0.13 0.05 0.00 -0.30 0.00 0.00 42.92 42.38 2bwl s ASP 15 CO -0.02 -0.40 1.71 0.00 -0.17 0.00 0.00 175.17 176.29 2bwl h ALA 16 N 8.38 0.69 -2.70 3.66 0.00 -1.79 -3.36 119.26 124.14 2bwl h ALA 16 Ca -0.18 -0.16 -0.60 0.00 0.00 0.00 0.00 54.91 53.97 2bwl h ALA 16 Cb 1.06 -0.21 -0.40 0.00 0.00 0.00 0.00 17.79 18.25 2bwl h ALA 16 CO 0.38 0.31 -0.80 -1.59 0.00 0.00 0.00 179.25 177.54 2bwl s LYS 17 N -5.54 1.49 0.42 0.00 -2.85 -1.26 -1.40 119.74 110.59 2bwl s LYS 17 Ca -0.13 -2.51 -0.25 0.00 -1.00 0.00 0.00 55.97 52.09 2bwl s LYS 17 Cb 0.12 -2.23 -0.08 0.00 -2.06 0.00 0.00 37.83 33.58 2bwl s LYS 17 CO 0.78 -1.32 1.16 -1.25 0.10 0.00 0.00 175.35 174.83 2bwl s PRO 18 N -0.41 3.98 0.26 1.78 0.04 -1.26 -4.94 135.00 134.45 2bwl s PRO 18 Ca 0.28 1.81 0.13 0.00 0.04 0.00 0.00 61.00 63.26 2bwl s PRO 18 Cb -0.03 -2.60 0.12 0.00 0.04 0.00 0.00 34.50 32.03 2bwl s PRO 18 CO -0.16 -0.37 1.46 1.57 0.04 0.00 0.00 177.00 179.54 2bwl h LYS 19 N 2.47 0.00 0.00 4.56 -0.00 -1.99 -3.47 116.57 118.15 2bwl h LYS 19 Ca -0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.13 2bwl h LYS 19 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.46 2bwl h LYS 19 CO 0.62 0.61 0.04 0.41 -0.00 0.00 0.00 179.45 181.13 2bwl n GLY 20 N 1.03 2.09 1.34 0.07 0.00 -1.26 -5.07 105.19 103.39 2bwl n GLY 20 Ca 0.01 -1.20 0.01 0.00 0.00 0.00 0.00 46.02 44.85 2bwl n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bwl n ARG 21 N -0.15 0.00 -1.73 1.61 5.12 -1.26 -4.94 116.66 115.32 2bwl n ARG 21 Ca -0.02 -1.70 0.00 0.00 -1.93 0.00 0.00 57.85 54.20 2bwl n ARG 21 Cb 0.16 0.11 0.00 0.00 -1.16 0.00 0.00 32.46 31.57 2bwl n ARG 21 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2bwl n ASP 22 N 0.36 1.63 -0.30 0.55 5.68 -1.26 -4.55 116.55 118.66 2bwl n ASP 22 Ca -0.03 -0.86 -0.05 0.00 -0.50 0.00 0.00 54.79 53.34 2bwl n ASP 22 Cb 1.02 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 41.07 2bwl n ASP 22 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2bwl h ASP 23 N 0.00 1.09 -0.09 -1.12 3.32 -1.90 -2.17 116.42 115.56 2bwl h ASP 23 Ca 0.00 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 56.79 2bwl h ASP 23 Cb 0.00 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 2bwl h ASP 23 CO 0.00 0.95 -0.28 0.03 -1.72 0.00 0.00 179.24 178.22 2bwl h ARG 24 N 1.17 0.54 -0.33 3.56 -0.00 -1.97 -1.34 114.38 116.01 2bwl h ARG 24 Ca 0.27 -0.22 0.00 0.00 -0.50 0.00 0.00 59.98 59.54 2bwl h ARG 24 Cb 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 29.97 30.10 2bwl h ARG 24 CO -0.03 0.77 0.21 -0.92 0.00 0.00 0.00 179.97 180.00 2bwl h TYR 25 N 0.47 0.41 -0.45 3.04 3.20 -1.80 -1.93 116.97 119.92 2bwl h TYR 25 Ca 0.06 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 2bwl h TYR 25 Cb 0.73 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 2bwl h TYR 25 CO 0.03 0.26 0.26 0.00 -1.64 0.00 0.00 178.16 177.07 2bwl h GLU 27 N 0.59 1.02 -0.08 0.00 5.08 -1.11 -1.47 114.58 118.61 2bwl h GLU 27 Ca 0.16 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2bwl h GLU 27 Cb 0.02 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 2bwl h GLU 27 CO -0.03 0.69 0.01 0.00 -1.00 0.00 0.00 179.01 178.68 2bwl h ARG 28 N 1.04 0.13 -0.18 2.33 3.08 -1.22 -3.08 114.38 116.48 2bwl h ARG 28 Ca 0.28 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 60.13 2bwl h ARG 28 Cb -0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2bwl h ARG 28 CO -0.06 0.36 -0.56 0.52 -1.07 0.00 0.00 179.97 179.16 2bwl h MET 29 N -0.12 0.56 -0.56 0.04 2.86 -0.83 -1.11 114.93 115.76 2bwl h MET 29 Ca 0.02 -0.36 -0.06 0.00 -2.06 0.00 0.00 59.70 57.24 2bwl h MET 29 Cb 0.30 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 2bwl h MET 29 CO 0.00 0.97 0.09 0.52 1.06 0.00 0.00 176.91 179.56 2bwl h MET 30 N 0.43 0.90 -0.33 1.72 2.07 -1.35 -1.28 114.93 117.09 2bwl h MET 30 Ca 0.01 -0.21 -0.06 0.00 -2.07 0.00 0.00 59.70 57.36 2bwl h MET 30 Cb 1.11 -0.12 -0.01 0.00 -1.87 0.00 0.00 31.60 30.71 2bwl h MET 30 CO 0.11 0.83 -0.04 -0.22 1.07 0.00 0.00 176.91 178.66 2bwl h LYS 31 N 0.85 0.61 -0.32 1.72 3.64 -1.43 -0.10 116.57 121.53 2bwl h LYS 31 Ca 0.18 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 2bwl h LYS 31 Cb 0.37 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2bwl h LYS 31 CO 0.01 0.76 -0.05 0.00 -2.27 0.00 0.00 179.45 177.90 2bwl h ARG 32 N 0.39 0.52 -0.35 1.90 -0.00 -0.86 -1.53 114.38 114.45 2bwl h ARG 32 Ca 0.09 -0.13 0.00 0.00 -0.50 0.00 0.00 59.98 59.44 2bwl h ARG 32 Cb 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.42 2bwl h ARG 32 CO 0.03 0.58 0.00 0.54 0.00 0.00 0.00 179.97 181.12 2bwl n ARG 33 N -4.25 1.87 -3.49 0.04 5.12 -0.51 -4.94 116.66 110.51 2bwl n ARG 33 Ca 0.01 -1.35 -0.19 0.00 -1.93 0.00 0.00 57.85 54.39 2bwl n ARG 33 Cb 0.28 -1.31 0.09 0.00 -1.16 0.00 0.00 32.46 30.35 2bwl n ARG 33 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2bwl n SER 34 N 0.59 -3.63 -1.39 0.55 7.64 -0.58 -4.93 113.62 111.86 2bwl n SER 34 Ca 0.13 -0.59 -0.09 0.00 1.01 0.00 0.00 58.87 59.34 2bwl n SER 34 Cb 0.33 -5.07 0.19 0.00 -1.01 0.00 0.00 64.21 58.64 2bwl n SER 34 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2bwl n LEU 35 N -4.44 4.66 0.00 -3.43 4.77 -0.07 -4.64 117.00 113.85 2bwl n LEU 35 Ca -0.18 -3.81 0.00 0.00 -0.03 0.00 0.00 56.01 51.99 2bwl n LEU 35 Cb 0.63 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2bwl n LEU 35 CO 0.62 1.27 0.36 0.35 -1.33 0.00 0.00 177.39 178.66 2bwl n THR 36 N -1.12 0.50 -3.56 -5.08 -2.24 -1.26 -1.78 114.28 99.75 2bwl n THR 36 Ca 0.39 -0.64 -0.28 0.00 -2.27 0.00 0.00 64.05 61.24 2bwl n THR 36 Cb 1.13 0.82 -0.11 0.00 -2.10 0.00 0.00 70.33 70.07 2bwl n THR 36 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2bwl s SER 37 N -0.50 2.68 0.65 3.42 1.04 -1.26 -3.15 113.70 116.58 2bwl s SER 37 Ca 0.00 -3.08 -0.03 0.00 0.48 0.00 0.00 55.95 53.32 2bwl s SER 37 Cb 0.00 -0.79 0.06 0.00 0.10 0.00 0.00 66.02 65.40 2bwl s SER 37 CO 0.00 -0.18 0.93 -2.16 0.98 0.00 0.00 173.24 172.80 2bwl s PRO 38 N -0.12 2.21 -0.03 4.02 0.04 -1.26 -5.07 135.00 134.78 2bwl s PRO 38 Ca 0.27 -0.60 -0.32 0.00 0.04 0.00 0.00 61.00 60.39 2bwl s PRO 38 Cb -0.05 -2.31 -0.10 0.00 0.04 0.00 0.00 34.50 32.07 2bwl s PRO 38 CO -0.14 -1.10 1.94 0.00 0.04 0.00 0.00 177.00 177.74 2bwl s LYS 40 N 4.33 4.51 0.08 0.00 2.20 -0.73 -4.92 119.74 125.20 2bwl s LYS 40 Ca 0.91 1.91 -0.17 0.00 -0.36 0.00 0.00 55.97 58.26 2bwl s LYS 40 Cb -0.56 -3.20 -0.11 0.00 -1.51 0.00 0.00 37.83 32.45 2bwl s LYS 40 CO 0.47 -0.02 1.39 0.38 -0.36 0.00 0.00 175.35 177.20 2bwl h ASP 41 N 4.61 0.61 -3.56 1.43 3.04 -1.92 -3.40 116.42 117.23 2bwl h ASP 41 Ca -0.46 -0.48 -0.17 0.00 -3.24 0.00 0.00 57.03 52.69 2bwl h ASP 41 Cb 1.21 -0.17 -0.27 0.00 -1.04 0.00 0.00 39.33 39.06 2bwl h ASP 41 CO 0.71 0.96 -0.42 0.54 -2.04 0.00 0.00 179.24 179.00 2bwl s VAL 42 N -4.32 -0.02 -0.18 4.15 0.11 -1.26 -0.61 120.40 118.27 2bwl s VAL 42 Ca -0.13 0.07 -0.09 0.00 -2.93 0.00 0.00 61.98 58.90 2bwl s VAL 42 Cb 0.07 -0.42 0.06 0.00 -1.53 0.00 0.00 36.38 34.57 2bwl s VAL 42 CO 0.80 0.03 0.41 0.21 -3.33 0.00 0.00 175.10 173.22 2bwl s ASN 43 N 0.76 -0.46 -0.15 3.54 2.47 -0.61 -4.99 114.94 115.51 2bwl s ASN 43 Ca -0.05 0.91 -0.07 0.00 0.42 0.00 0.00 52.86 54.07 2bwl s ASN 43 Cb -0.06 0.88 -0.04 0.00 -1.45 0.00 0.00 41.25 40.58 2bwl s ASN 43 CO -0.05 -0.20 0.09 -0.89 -3.72 0.00 0.00 177.10 172.33 2bwl s THR 44 N 1.65 5.04 -0.19 -5.21 2.01 -1.26 -0.78 115.64 116.90 2bwl s THR 44 Ca -0.08 0.04 -0.09 0.00 0.31 0.00 0.00 61.69 61.87 2bwl s THR 44 Cb -0.09 -3.23 -0.05 0.00 0.01 0.00 0.00 72.50 69.15 2bwl s THR 44 CO -0.13 0.53 0.12 -0.36 -0.69 0.00 0.00 174.62 174.09 2bwl s PHE 45 N -0.30 3.39 -0.13 4.92 0.08 -0.25 -4.44 117.98 121.25 2bwl s PHE 45 Ca 0.09 0.30 -0.11 0.00 0.12 0.00 0.00 56.93 57.33 2bwl s PHE 45 Cb -0.12 -2.12 -0.05 0.00 -0.57 0.00 0.00 43.02 40.17 2bwl s PHE 45 CO 0.01 0.31 0.22 0.42 -0.10 0.00 0.00 175.22 176.08 2bwl s ILE 46 N 0.21 5.36 0.49 0.64 1.01 0.60 -1.09 121.20 128.42 2bwl s ILE 46 Ca 0.08 0.39 0.08 0.00 0.00 0.00 0.00 60.65 61.21 2bwl s ILE 46 Cb -0.11 -3.53 0.04 0.00 0.01 0.00 0.00 42.46 38.86 2bwl s ILE 46 CO -0.01 0.50 0.60 -1.00 0.00 0.00 0.00 174.94 175.04 2bwl s HIS 47 N -0.26 2.15 0.00 3.97 3.76 -0.16 -1.87 115.29 122.87 2bwl s HIS 47 Ca 0.15 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.48 2bwl s HIS 47 Cb -0.13 -2.23 0.00 0.00 1.11 0.00 0.00 32.58 31.33 2bwl s HIS 47 CO 0.04 -0.65 0.00 0.41 -0.85 0.00 0.00 174.74 173.69 2bwl n GLY 48 N -1.94 -2.05 3.85 -2.22 0.00 -0.49 -4.67 105.19 97.67 2bwl n GLY 48 Ca 0.09 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 2bwl n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bwl s ASN 49 N -3.76 6.58 0.25 1.61 2.20 -1.26 -4.35 114.94 116.20 2bwl s ASN 49 Ca 0.00 1.54 -0.04 0.00 -0.94 0.00 0.00 52.86 53.42 2bwl s ASN 49 Cb 0.00 -2.50 0.29 0.00 -2.00 0.00 0.00 41.25 37.04 2bwl s ASN 49 CO 0.00 -0.62 1.78 0.11 -2.94 0.00 0.00 177.10 175.44 2bwl h LYS 50 N 0.78 0.95 -0.84 3.55 1.57 -1.99 -3.17 116.57 117.42 2bwl h LYS 50 Ca -0.46 -0.21 0.08 0.00 -1.87 0.00 0.00 60.65 58.18 2bwl h LYS 50 Cb 1.19 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 33.30 2bwl h LYS 50 CO 0.62 0.85 0.55 1.03 -0.57 0.00 0.00 179.45 181.92 2bwl h SER 51 N 0.91 0.78 0.42 0.86 0.87 -2.00 -1.77 113.55 113.63 2bwl h SER 51 Ca 0.20 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.65 2bwl h SER 51 Cb 0.33 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2bwl h SER 51 CO -0.00 0.49 -0.52 0.78 -0.53 0.00 0.00 176.83 177.04 2bwl h ASN 52 N 0.88 0.13 -0.09 6.23 2.35 -1.96 -2.03 115.58 121.10 2bwl h ASN 52 Ca 0.37 -0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.97 2bwl h ASN 52 Cb 0.31 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2bwl h ASN 52 CO -0.14 0.63 -0.30 0.40 -1.65 0.00 0.00 177.43 176.37 2bwl h ILE 53 N 0.09 1.41 -0.55 2.81 2.04 -1.43 -3.15 117.51 118.73 2bwl h ILE 53 Ca -0.00 -1.67 0.09 0.00 1.00 0.00 0.00 64.86 64.29 2bwl h ILE 53 Cb 0.96 2.24 -0.03 0.00 -0.74 0.00 0.00 36.82 39.25 2bwl h ILE 53 CO 0.07 0.48 0.37 0.11 0.00 0.00 0.00 178.15 179.19 2bwl h LYS 54 N -0.11 0.34 0.00 2.37 1.57 -1.25 -2.07 116.57 117.43 2bwl h LYS 54 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2bwl h LYS 54 Cb 0.93 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.17 2bwl h LYS 54 CO 0.06 0.23 0.00 0.00 -0.57 0.00 0.00 179.45 179.17 2bwl h ALA 55 N 1.72 1.00 -0.07 3.86 0.00 -1.33 -1.74 119.26 122.71 2bwl h ALA 55 Ca 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2bwl h ALA 55 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2bwl h ALA 55 CO -0.06 0.00 0.03 0.82 0.00 0.00 0.00 179.25 180.03 2bwl h ILE 56 N 0.00 1.03 0.00 0.00 2.04 -1.43 -1.48 117.51 117.67 2bwl h ILE 56 Ca 0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2bwl h ILE 56 Cb 0.35 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2bwl h ILE 56 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 178.15 178.18 2bwl n GLY 58 N 0.66 1.79 0.00 0.00 0.00 -0.62 -4.91 105.19 102.11 2bwl n GLY 58 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.15 2bwl n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bwl n ALA 59 N -3.00 1.78 -0.69 4.61 0.00 -1.24 -2.39 120.51 119.59 2bwl n ALA 59 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.47 2bwl n ALA 59 Cb 0.00 -1.28 0.38 0.00 0.00 0.00 0.00 19.45 18.55 2bwl n ALA 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bwl n ASN 60 N -1.51 5.05 -4.16 0.00 4.13 -0.83 -4.92 115.26 113.02 2bwl n ASN 60 Ca 0.04 -2.56 -0.10 0.00 1.68 0.00 0.00 54.58 53.63 2bwl n ASN 60 Cb 0.20 -0.61 -0.10 0.00 -1.54 0.00 0.00 39.78 37.73 2bwl n ASN 60 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2bwl s GLY 61 N -0.86 0.77 0.10 7.41 0.00 -1.01 -1.08 107.32 112.65 2bwl s GLY 61 Ca 0.53 -1.36 0.08 0.00 0.00 0.00 0.00 44.72 43.97 2bwl s GLY 61 CO 0.23 -1.44 -0.20 -0.56 0.00 0.00 0.00 173.10 171.13 2bwl s SER 62 N -3.04 2.41 0.33 1.64 0.01 -0.23 -4.86 113.70 109.96 2bwl s SER 62 Ca 0.13 -0.68 -0.29 0.00 1.31 0.00 0.00 55.95 56.41 2bwl s SER 62 Cb 0.06 -0.13 -0.12 0.00 0.21 0.00 0.00 66.02 66.04 2bwl s SER 62 CO -0.05 0.03 1.43 -2.65 0.41 0.00 0.00 173.24 172.42 2bwl n PRO 63 N 1.08 2.40 -3.89 12.44 -0.02 -1.26 -1.00 135.00 144.76 2bwl n PRO 63 Ca -0.20 0.85 -0.23 0.00 -2.02 0.00 0.00 63.50 61.90 2bwl n PRO 63 Cb 0.54 -2.53 -0.17 0.00 -0.02 0.00 0.00 33.50 31.32 2bwl n PRO 63 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2bwl s TYR 64 N -0.73 0.81 0.00 6.00 5.04 -0.21 -4.74 117.35 123.52 2bwl s TYR 64 Ca 0.58 -0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.95 2bwl s TYR 64 Cb -0.54 -0.83 0.00 0.00 0.35 0.00 0.00 41.96 40.94 2bwl s TYR 64 CO 0.58 -0.32 0.00 0.54 -1.34 0.00 0.00 175.55 175.01 2bwl n ARG 65 N 4.83 0.00 0.11 4.97 1.74 -1.26 -2.17 116.66 124.88 2bwl n ARG 65 Ca -0.12 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.79 2bwl n ARG 65 Cb 0.50 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.80 2bwl n ARG 65 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2bwl h GLU 66 N 0.00 0.29 0.00 5.56 3.07 -2.04 -3.40 114.58 118.06 2bwl h GLU 66 Ca 0.00 -0.49 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 2bwl h GLU 66 Cb 0.00 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 2bwl h GLU 66 CO 0.00 1.23 -0.12 0.27 -1.40 0.00 0.00 179.01 178.99 2bwl n ASN 67 N -3.55 0.00 -4.90 1.42 0.23 -1.25 -5.11 115.26 102.10 2bwl n ASN 67 Ca -0.09 -1.24 -0.27 0.00 -0.53 0.00 0.00 54.58 52.45 2bwl n ASN 67 Cb 1.02 -0.05 -0.01 0.00 -2.08 0.00 0.00 39.78 38.67 2bwl n ASN 67 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2bwl s LEU 68 N 0.00 2.60 -0.09 -4.53 1.43 -0.92 -4.69 118.68 112.48 2bwl s LEU 68 Ca 0.00 -1.32 -0.06 0.00 -1.03 0.00 0.00 54.13 51.72 2bwl s LEU 68 Cb 0.00 -1.09 0.03 0.00 0.03 0.00 0.00 46.19 45.17 2bwl s LEU 68 CO 0.00 -1.14 0.21 -0.13 0.23 0.00 0.00 176.35 175.52 2bwl s ARG 69 N -4.28 0.21 -0.12 1.70 0.52 -0.05 -1.05 118.95 115.89 2bwl s ARG 69 Ca 0.30 0.39 -0.04 0.00 -0.52 0.00 0.00 55.73 55.87 2bwl s ARG 69 Cb -0.02 -0.02 -0.03 0.00 0.52 0.00 0.00 34.95 35.40 2bwl s ARG 69 CO 0.19 -0.10 0.02 1.41 0.02 0.00 0.00 175.30 176.84 2bwl s MET 70 N 0.70 3.34 0.50 3.54 -2.45 -0.17 -1.33 119.30 123.44 2bwl s MET 70 Ca -0.05 -0.39 -0.23 0.00 -1.25 0.00 0.00 55.69 53.77 2bwl s MET 70 Cb -0.06 -2.93 -0.06 0.00 1.25 0.00 0.00 34.83 33.02 2bwl s MET 70 CO -0.04 0.54 1.28 -1.54 1.05 0.00 0.00 175.02 176.31 2bwl s SER 71 N -0.42 5.73 0.33 1.11 1.04 -0.05 -1.07 113.70 120.37 2bwl s SER 71 Ca 0.08 2.59 0.18 0.00 0.48 0.00 0.00 55.95 59.28 2bwl s SER 71 Cb -0.12 -2.62 0.26 0.00 0.10 0.00 0.00 66.02 63.63 2bwl s SER 71 CO 0.02 -1.24 1.54 0.11 0.98 0.00 0.00 173.24 174.65 2bwl h LYS 72 N 1.83 0.00 -5.66 4.02 1.57 -1.46 -3.44 116.57 113.43 2bwl h LYS 72 Ca -0.50 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.79 2bwl h LYS 72 Cb 1.27 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.44 2bwl h LYS 72 CO 0.59 0.39 -0.72 -1.12 -0.57 0.00 0.00 179.45 178.02 2bwl s SER 73 N -6.38 2.82 0.79 0.86 0.01 -1.26 -5.10 113.70 105.43 2bwl s SER 73 Ca 0.04 -1.07 -0.11 0.00 1.31 0.00 0.00 55.95 56.11 2bwl s SER 73 Cb 0.08 -0.18 0.06 0.00 0.21 0.00 0.00 66.02 66.19 2bwl s SER 73 CO 0.72 -0.19 1.09 -2.84 0.41 0.00 0.00 173.24 172.43 2bwl s PRO 74 N -3.65 2.16 0.07 12.44 0.02 -1.26 -4.64 135.00 140.15 2bwl s PRO 74 Ca 0.26 0.88 0.05 0.00 0.02 0.00 0.00 61.00 62.20 2bwl s PRO 74 Cb -0.00 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 2bwl s PRO 74 CO 0.10 -1.63 -0.13 -0.06 -0.33 0.00 0.00 177.00 174.95 2bwl s PHE 75 N -3.02 1.13 0.02 6.54 0.40 -0.11 -4.86 117.98 118.08 2bwl s PHE 75 Ca 0.61 -0.49 -0.30 0.00 -0.60 0.00 0.00 56.93 56.14 2bwl s PHE 75 Cb -0.16 -0.64 -0.06 0.00 0.51 0.00 0.00 43.02 42.68 2bwl s PHE 75 CO 0.55 0.04 1.39 -0.65 0.70 0.00 0.00 175.22 177.25 2bwl s GLN 76 N -1.89 4.30 0.09 0.44 -1.52 -1.26 -1.48 119.66 118.34 2bwl s GLN 76 Ca -0.02 1.97 0.02 0.00 -1.95 0.00 0.00 55.36 55.39 2bwl s GLN 76 Cb -0.09 -3.51 -0.04 0.00 -0.22 0.00 0.00 33.01 29.15 2bwl s GLN 76 CO 0.02 -0.54 -0.08 0.14 -0.25 0.00 0.00 175.29 174.58 2bwl s VAL 77 N 2.12 0.72 -0.12 1.09 -7.23 -0.61 -0.99 120.40 115.38 2bwl s VAL 77 Ca 0.64 -1.67 -0.01 0.00 -1.81 0.00 0.00 61.98 59.13 2bwl s VAL 77 Cb -0.32 -1.35 0.03 0.00 0.56 0.00 0.00 36.38 35.30 2bwl s VAL 77 CO 0.27 -0.68 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.47 2bwl s THR 78 N -2.81 0.68 -0.11 5.32 2.01 -0.25 -1.70 115.64 118.78 2bwl s THR 78 Ca 0.05 -0.21 -0.13 0.00 0.31 0.00 0.00 61.69 61.72 2bwl s THR 78 Cb -0.00 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.60 2bwl s THR 78 CO -0.02 0.19 0.29 -0.89 -0.69 0.00 0.00 174.62 173.50 2bwl s THR 79 N 1.83 5.27 -0.18 -0.82 2.01 -0.42 -1.09 115.64 122.25 2bwl s THR 79 Ca 0.03 0.56 -0.02 0.00 0.31 0.00 0.00 61.69 62.58 2bwl s THR 79 Cb -0.14 -3.61 -0.00 0.00 0.01 0.00 0.00 72.50 68.76 2bwl s THR 79 CO -0.07 0.48 -0.10 0.00 -0.69 0.00 0.00 174.62 174.24 2bwl s LYS 81 N 1.09 3.11 0.27 0.00 2.20 -0.07 -1.57 119.74 124.76 2bwl s LYS 81 Ca 0.00 -0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 54.50 2bwl s LYS 81 Cb -0.15 -2.47 -0.10 0.00 -1.51 0.00 0.00 37.83 33.60 2bwl s LYS 81 CO -0.02 0.06 1.47 -1.58 -0.36 0.00 0.00 175.35 174.92 2bwl s HIS 82 N 0.66 2.95 0.20 4.03 2.46 0.22 -1.20 115.29 124.61 2bwl s HIS 82 Ca -0.10 0.99 0.10 0.00 0.47 0.00 0.00 55.06 56.52 2bwl s HIS 82 Cb -0.16 -3.88 -0.04 0.00 -0.13 0.00 0.00 32.58 28.37 2bwl s HIS 82 CO 0.02 -2.85 -0.20 0.95 -2.47 0.00 0.00 174.74 170.19 2bwl s THR 83 N -0.08 2.09 0.00 0.89 -4.23 -0.84 -4.79 115.64 108.68 2bwl s THR 83 Ca 0.60 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 2bwl s THR 83 Cb -0.43 -2.04 0.00 0.00 1.34 0.00 0.00 72.50 71.37 2bwl s THR 83 CO 0.45 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.83 2bwl n GLY 84 N 0.02 1.51 3.11 3.99 0.00 -1.26 -4.47 105.19 108.09 2bwl n GLY 84 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2bwl n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bwl n GLY 85 N -2.00 0.09 3.60 -0.02 0.00 -1.26 -4.96 105.19 100.63 2bwl n GLY 85 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2bwl n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bwl s SER 86 N -2.03 6.63 0.13 1.61 1.04 -1.26 -4.91 113.70 114.90 2bwl s SER 86 Ca 0.00 0.51 0.12 0.00 0.48 0.00 0.00 55.95 57.06 2bwl s SER 86 Cb 0.00 -2.42 0.57 0.00 0.10 0.00 0.00 66.02 64.27 2bwl s SER 86 CO 0.00 -0.75 1.36 -2.65 0.98 0.00 0.00 173.24 172.18 2bwl n PRO 87 N 6.49 0.07 -3.75 4.02 -0.02 -1.26 -4.72 135.00 135.83 2bwl n PRO 87 Ca 0.05 0.50 -0.36 0.00 -2.02 0.00 0.00 63.50 61.66 2bwl n PRO 87 Cb 0.48 -1.69 -0.07 0.00 -0.02 0.00 0.00 33.50 32.21 2bwl n PRO 87 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2bwl s ARG 88 N -3.21 3.82 0.84 -0.52 3.00 -1.26 -1.34 118.95 120.28 2bwl s ARG 88 Ca 0.01 -0.06 -0.10 0.00 0.00 0.00 0.00 55.73 55.57 2bwl s ARG 88 Cb 0.04 -3.29 0.10 0.00 0.00 0.00 0.00 34.95 31.80 2bwl s ARG 88 CO 0.15 0.56 1.11 -1.25 0.00 0.00 0.00 175.30 175.87 2bwl s PRO 89 N -0.43 1.67 0.46 3.54 0.04 -1.26 -4.58 135.00 134.44 2bwl s PRO 89 Ca 0.14 1.31 -0.24 0.00 0.04 0.00 0.00 61.00 62.26 2bwl s PRO 89 Cb -0.12 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 2bwl s PRO 89 CO 0.03 -2.10 1.28 -2.14 0.04 0.00 0.00 177.00 174.11 2bwl s PRO 90 N -4.80 3.67 -0.29 0.56 0.02 -1.26 -5.15 135.00 127.76 2bwl s PRO 90 Ca 0.64 2.06 -0.10 0.00 0.02 0.00 0.00 61.00 63.62 2bwl s PRO 90 Cb -0.20 -2.51 -0.03 0.00 0.02 0.00 0.00 34.50 31.78 2bwl s PRO 90 CO 0.57 -0.71 0.16 0.00 -0.33 0.00 0.00 177.00 176.69 2bwl s GLN 92 N 1.69 3.88 0.03 0.00 1.11 -1.26 -4.85 119.66 120.26 2bwl s GLN 92 Ca 0.06 0.35 0.02 0.00 0.01 0.00 0.00 55.36 55.80 2bwl s GLN 92 Cb -0.16 -3.03 -0.02 0.00 -1.01 0.00 0.00 33.01 28.80 2bwl s GLN 92 CO 0.08 0.56 -0.06 0.71 0.01 0.00 0.00 175.29 176.59 2bwl s TYR 93 N -1.35 0.52 -0.09 0.91 2.02 -1.26 -1.98 117.35 116.11 2bwl s TYR 93 Ca 0.33 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.63 2bwl s TYR 93 Cb -0.15 -0.32 -0.03 0.00 -0.40 0.00 0.00 41.96 41.06 2bwl s TYR 93 CO 0.18 -0.08 -0.08 -0.98 -1.57 0.00 0.00 175.55 173.01 2bwl s ARG 94 N -1.19 3.03 0.08 -0.62 1.70 -0.34 -4.75 118.95 116.86 2bwl s ARG 94 Ca -0.08 -0.59 -0.07 0.00 -0.47 0.00 0.00 55.73 54.52 2bwl s ARG 94 Cb -0.08 -2.64 -0.05 0.00 -0.57 0.00 0.00 34.95 31.61 2bwl s ARG 94 CO 0.00 0.49 0.36 0.00 -1.08 0.00 0.00 175.30 175.07 2bwl s ALA 95 N -0.34 3.78 -0.28 7.88 0.00 -1.26 -0.89 121.76 130.64 2bwl s ALA 95 Ca 0.05 -0.49 -0.02 0.00 0.00 0.00 0.00 51.96 51.49 2bwl s ALA 95 Cb -0.12 -2.17 0.09 0.00 0.00 0.00 0.00 23.12 20.92 2bwl s ALA 95 CO 0.02 0.62 0.10 -1.12 0.00 0.00 0.00 175.76 175.39 2bwl s SER 96 N -1.97 3.68 0.12 0.00 0.01 -0.11 -4.88 113.70 110.54 2bwl s SER 96 Ca 0.34 -1.39 -0.10 0.00 1.31 0.00 0.00 55.95 56.12 2bwl s SER 96 Cb -0.13 -0.65 -0.06 0.00 0.21 0.00 0.00 66.02 65.39 2bwl s SER 96 CO 0.20 -0.41 0.45 0.00 0.41 0.00 0.00 173.24 173.89 2bwl s ALA 97 N 1.82 3.68 0.13 1.44 0.00 -1.26 -1.30 121.76 126.26 2bwl s ALA 97 Ca 0.08 -0.34 -0.14 0.00 0.00 0.00 0.00 51.96 51.55 2bwl s ALA 97 Cb -0.17 -2.32 0.05 0.00 0.00 0.00 0.00 23.12 20.68 2bwl s ALA 97 CO -0.26 0.55 0.67 0.41 0.00 0.00 0.00 175.76 177.13 2bwl n GLY 98 N 0.61 0.86 2.82 0.00 0.00 -0.69 -5.02 105.19 103.77 2bwl n GLY 98 Ca -0.05 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 2bwl n GLY 98 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2bwl s PHE 99 N -3.49 2.36 0.04 1.61 5.36 -1.26 -1.58 117.98 121.02 2bwl s PHE 99 Ca 0.15 -2.16 0.01 0.00 -0.96 0.00 0.00 56.93 53.96 2bwl s PHE 99 Cb -0.02 -2.10 -0.03 0.00 -0.34 0.00 0.00 43.02 40.53 2bwl s PHE 99 CO 0.04 -0.90 -0.05 1.03 -1.46 0.00 0.00 175.22 173.88 2bwl s ARG 100 N 1.34 0.52 0.55 10.12 0.52 -0.55 -4.81 118.95 126.63 2bwl s ARG 100 Ca 0.11 -0.89 -0.18 0.00 -0.52 0.00 0.00 55.73 54.24 2bwl s ARG 100 Cb -0.18 -0.04 -0.06 0.00 0.52 0.00 0.00 34.95 35.19 2bwl s ARG 100 CO -0.19 -0.03 1.08 -1.01 0.02 0.00 0.00 175.30 175.18 2bwl s HIS 101 N -2.25 2.85 0.17 -0.53 3.76 -1.26 -0.94 115.29 117.09 2bwl s HIS 101 Ca -0.05 1.55 0.10 0.00 -0.15 0.00 0.00 55.06 56.50 2bwl s HIS 101 Cb -0.04 -3.14 -0.04 0.00 1.11 0.00 0.00 32.58 30.47 2bwl s HIS 101 CO -0.03 -1.23 -0.21 0.14 -0.85 0.00 0.00 174.74 172.57 2bwl s VAL 102 N -2.05 2.02 -0.11 -0.90 -7.23 -1.26 -4.93 120.40 105.93 2bwl s VAL 102 Ca 0.68 -1.94 0.03 0.00 -1.81 0.00 0.00 61.98 58.94 2bwl s VAL 102 Cb -0.19 -1.93 0.01 0.00 0.56 0.00 0.00 36.38 34.82 2bwl s VAL 102 CO 0.28 -0.23 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.94 2bwl s VAL 103 N -1.85 1.90 0.29 1.32 1.01 -1.26 -0.87 120.40 120.94 2bwl s VAL 103 Ca 0.17 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.27 2bwl s VAL 103 Cb -0.07 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 2bwl s VAL 103 CO 0.08 0.52 0.11 0.27 0.00 0.00 0.00 175.10 176.08 2bwl s ILE 104 N 0.62 0.60 -0.03 2.22 -4.36 -0.44 -1.43 121.20 118.39 2bwl s ILE 104 Ca -0.13 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.28 2bwl s ILE 104 Cb -0.17 -2.61 -0.03 0.00 1.25 0.00 0.00 42.46 40.91 2bwl s ILE 104 CO 0.03 0.00 -0.06 0.00 0.24 0.00 0.00 174.94 175.15 2bwl s ALA 105 N -3.60 3.03 0.11 2.27 0.00 -0.61 -0.87 121.76 122.09 2bwl s ALA 105 Ca 0.36 -0.95 0.10 0.00 0.00 0.00 0.00 51.96 51.46 2bwl s ALA 105 Cb 0.07 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 2bwl s ALA 105 CO 0.15 0.60 -0.23 0.00 0.00 0.00 0.00 175.76 176.28 2bwl s GLU 107 N -1.99 0.08 -1.42 0.00 8.01 -0.25 -4.87 118.70 118.25 2bwl s GLU 107 Ca 0.15 0.27 -0.10 0.00 0.01 0.00 0.00 54.97 55.30 2bwl s GLU 107 Cb -0.10 -0.12 0.07 0.00 -4.31 0.00 0.00 34.13 29.66 2bwl s GLU 107 CO 0.07 -0.12 0.66 -1.71 0.01 0.00 0.00 175.26 174.17 2bwl n ASN 108 N 3.85 -4.47 0.00 -0.19 5.15 -1.26 -1.91 115.26 116.42 2bwl n ASN 108 Ca -0.22 -0.49 0.00 0.00 -0.60 0.00 0.00 54.58 53.26 2bwl n ASN 108 Cb 0.54 -3.64 0.00 0.00 -0.53 0.00 0.00 39.78 36.15 2bwl n ASN 108 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bwl n GLY 109 N -1.39 0.70 3.22 8.20 0.00 -1.26 -5.03 105.19 109.63 2bwl n GLY 109 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 2bwl n GLY 109 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bwl s LEU 110 N 0.00 2.15 0.16 0.99 1.43 -0.80 -4.80 118.68 117.81 2bwl s LEU 110 Ca 0.00 -0.48 -0.31 0.00 -1.03 0.00 0.00 54.13 52.31 2bwl s LEU 110 Cb 0.00 -0.89 -0.09 0.00 0.03 0.00 0.00 46.19 45.24 2bwl s LEU 110 CO 0.00 0.14 1.42 -2.16 0.23 0.00 0.00 176.35 175.98 2bwl s PRO 111 N -1.05 4.30 0.00 1.29 0.04 -1.26 -1.10 135.00 137.23 2bwl s PRO 111 Ca 0.06 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.27 2bwl s PRO 111 Cb -0.08 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.26 2bwl s PRO 111 CO 0.01 -0.43 0.10 1.33 0.04 0.00 0.00 177.00 178.05 2bwl n VAL 112 N 3.43 0.00 -3.63 -0.36 0.24 0.03 -4.26 118.33 113.78 2bwl n VAL 112 Ca 0.10 -0.20 -0.15 0.00 -2.04 0.00 0.00 64.34 62.05 2bwl n VAL 112 Cb 0.41 1.30 -0.07 0.00 -1.47 0.00 0.00 33.84 34.01 2bwl n VAL 112 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2bwl s HIS 113 N -0.20 -0.69 -0.14 6.34 3.76 -1.20 -4.78 115.29 118.38 2bwl s HIS 113 Ca 0.00 1.59 -0.04 0.00 -0.15 0.00 0.00 55.06 56.46 2bwl s HIS 113 Cb 0.00 0.28 -0.03 0.00 1.11 0.00 0.00 32.58 33.93 2bwl s HIS 113 CO 0.00 -0.40 0.01 0.12 -0.85 0.00 0.00 174.74 173.61 2bwl s PHE 114 N -0.03 3.15 -0.64 1.40 2.19 -1.26 -1.58 117.98 121.21 2bwl s PHE 114 Ca -0.03 -0.00 -0.21 0.00 0.33 0.00 0.00 56.93 57.01 2bwl s PHE 114 Cb -0.04 -1.93 0.08 0.00 -1.31 0.00 0.00 43.02 39.82 2bwl s PHE 114 CO 0.03 0.21 0.89 0.34 1.83 0.00 0.00 175.22 178.52 2bwl s ASP 115 N -0.11 6.18 0.47 6.13 2.15 -0.51 -4.87 116.67 126.11 2bwl s ASP 115 Ca 0.04 -1.13 0.31 0.00 0.43 0.00 0.00 52.55 52.21 2bwl s ASP 115 Cb -0.13 -2.39 1.28 0.00 -0.30 0.00 0.00 42.92 41.39 2bwl s ASP 115 CO 0.02 -1.35 1.91 -0.33 -0.17 0.00 0.00 175.17 175.25 2bwl h GLU 116 N 9.45 0.00 0.00 4.34 4.39 -1.97 -3.16 114.58 127.64 2bwl h GLU 116 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2bwl h GLU 116 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2bwl h GLU 116 CO 1.16 0.00 0.00 0.77 -1.16 0.00 0.00 179.01 179.78 2bwl h SER 117 N 0.00 0.00 -0.18 1.42 0.02 -1.97 -3.09 113.55 109.75 2bwl h SER 117 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2bwl h SER 117 Cb 0.45 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 2bwl h SER 117 CO 0.00 0.00 -0.01 0.15 -1.14 0.00 0.00 176.83 175.83 2bwl h PHE 118 N 0.00 0.47 -0.00 3.45 3.57 -1.95 -3.54 116.94 118.94 2bwl h PHE 118 Ca 0.00 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2bwl h PHE 118 Cb 0.69 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2bwl h PHE 118 CO 0.00 0.48 0.00 1.19 -2.23 0.00 0.00 178.31 177.75