#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwi s VAL 2 N 0.00 4.66 0.62 3.15 1.01 -1.26 -1.18 120.40 127.39 1bwi s VAL 2 Ca 0.00 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.11 1bwi s VAL 2 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1bwi s VAL 2 CO 0.00 -0.17 1.05 -0.36 0.00 0.00 0.00 175.10 175.62 1bwi s PHE 3 N 1.58 3.12 0.33 5.22 0.40 -0.16 -5.00 117.98 123.48 1bwi s PHE 3 Ca 0.03 1.47 -0.05 0.00 -0.60 0.00 0.00 56.93 57.78 1bwi s PHE 3 Cb -0.19 -2.93 -0.05 0.00 0.51 0.00 0.00 43.02 40.37 1bwi s PHE 3 CO 0.07 -1.03 0.61 0.20 0.70 0.00 0.00 175.22 175.76 1bwi s GLY 4 N -3.20 1.78 0.12 4.36 0.00 -1.26 -4.87 107.32 104.26 1bwi s GLY 4 Ca 0.61 -0.54 -0.30 0.00 0.00 0.00 0.00 44.72 44.49 1bwi s GLY 4 CO 0.42 -0.42 1.59 -0.09 0.00 0.00 0.00 173.10 174.60 1bwi h ARG 5 N 1.39 -0.56 -0.14 2.90 2.43 -1.97 -0.55 114.38 117.87 1bwi h ARG 5 Ca -0.48 0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 58.62 1bwi h ARG 5 Cb 1.19 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 1bwi h ARG 5 CO 0.65 -0.38 -0.39 0.00 -1.51 0.00 0.00 179.97 178.34 1bwi h GLU 7 N 0.27 0.71 -0.35 0.00 4.81 -1.89 -1.48 114.58 116.64 1bwi h GLU 7 Ca 0.03 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 1bwi h GLU 7 Cb 0.82 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1bwi h GLU 7 CO 0.06 0.62 -0.01 1.25 -0.73 0.00 0.00 179.01 180.21 1bwi h LEU 8 N 0.63 0.61 -0.43 1.64 5.85 -0.91 -1.57 115.31 121.13 1bwi h LEU 8 Ca 0.16 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.65 1bwi h LEU 8 Cb 0.16 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 1bwi h LEU 8 CO -0.02 0.78 0.01 0.00 -0.34 0.00 0.00 178.44 178.87 1bwi h ALA 9 N 0.86 0.41 -0.37 1.25 0.00 -1.07 0.67 119.26 121.01 1bwi h ALA 9 Ca 0.10 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1bwi h ALA 9 Cb 0.47 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1bwi h ALA 9 CO 0.02 -0.39 0.20 0.00 0.00 0.00 0.00 179.25 179.08 1bwi h ALA 10 N 1.38 0.47 -0.59 0.00 0.00 -1.15 -0.16 119.26 119.21 1bwi h ALA 10 Ca 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1bwi h ALA 10 Cb 0.31 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1bwi h ALA 10 CO -0.35 0.00 0.30 0.00 0.00 0.00 0.00 179.25 179.20 1bwi h ALA 11 N 1.06 0.76 -0.52 0.00 0.00 -0.72 -1.30 119.26 118.54 1bwi h ALA 11 Ca 0.13 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1bwi h ALA 11 Cb 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1bwi h ALA 11 CO -0.02 0.31 -0.08 0.52 0.00 0.00 0.00 179.25 179.99 1bwi h MET 12 N 0.81 0.95 -0.36 0.00 2.86 -0.68 -2.15 114.93 116.35 1bwi h MET 12 Ca 0.21 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1bwi h MET 12 Cb 0.10 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1bwi h MET 12 CO -0.03 0.99 0.16 -0.22 1.06 0.00 0.00 176.91 178.87 1bwi h LYS 13 N 0.86 0.53 -0.11 1.72 3.64 -0.76 -1.60 116.57 120.86 1bwi h LYS 13 Ca 0.14 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1bwi h LYS 13 Cb 0.61 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1bwi h LYS 13 CO 0.04 0.50 0.01 -0.09 -2.27 0.00 0.00 179.45 177.64 1bwi h ARG 14 N 0.45 0.15 -0.34 1.90 2.43 -1.05 -1.24 114.38 116.68 1bwi h ARG 14 Ca 0.12 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1bwi h ARG 14 Cb 0.15 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1bwi h ARG 14 CO -0.01 0.16 0.00 0.72 -1.51 0.00 0.00 179.97 179.32 1bwi n HIS 15 N -4.46 0.40 -1.04 2.20 8.25 -0.83 -4.92 115.22 114.83 1bwi n HIS 15 Ca -0.01 -0.19 -0.00 0.00 -0.26 0.00 0.00 57.72 57.26 1bwi n HIS 15 Cb 0.13 -0.03 -0.00 0.00 1.12 0.00 0.00 29.99 31.21 1bwi n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bwi n GLY 16 N 0.84 0.40 0.17 -1.41 0.00 -0.47 -4.97 105.19 99.74 1bwi n GLY 16 Ca 0.09 -1.08 0.10 0.00 0.00 0.00 0.00 46.02 45.13 1bwi n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1bwi h LEU 17 N 0.00 0.00 -9.02 0.99 3.38 -1.46 -3.40 115.31 105.80 1bwi h LEU 17 Ca -0.01 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.39 1bwi h LEU 17 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1bwi h LEU 17 CO 0.01 0.11 1.31 -0.62 0.09 0.00 0.00 178.44 179.34 1bwi s ASP 18 N -5.94 5.93 -0.36 -0.43 2.15 -1.26 -1.68 116.67 115.08 1bwi s ASP 18 Ca 0.03 1.80 0.00 0.00 0.43 0.00 0.00 52.55 54.81 1bwi s ASP 18 Cb 0.07 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1bwi s ASP 18 CO 0.73 -1.59 0.00 0.59 -0.17 0.00 0.00 175.17 174.73 1bwi n ASN 19 N 9.94 -3.87 -4.68 -0.34 3.02 -0.14 -4.88 115.26 114.31 1bwi n ASN 19 Ca 0.24 0.09 -0.42 0.00 -0.03 0.00 0.00 54.58 54.45 1bwi n ASN 19 Cb 0.45 -1.67 -0.03 0.00 -0.61 0.00 0.00 39.78 37.92 1bwi n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bwi s TYR 20 N -1.98 2.12 -1.65 3.10 5.04 -0.68 -1.15 117.35 122.15 1bwi s TYR 20 Ca 0.00 0.13 -0.00 0.00 -2.44 0.00 0.00 57.07 54.76 1bwi s TYR 20 Cb 0.00 -4.02 0.00 0.00 0.35 0.00 0.00 41.96 38.29 1bwi s TYR 20 CO 0.00 -4.24 0.05 0.54 -1.34 0.00 0.00 175.55 170.55 1bwi n ARG 21 N 6.24 -2.02 -0.89 4.97 5.12 -1.26 -1.71 116.66 127.11 1bwi n ARG 21 Ca 0.17 0.93 0.00 0.00 -1.93 0.00 0.00 57.85 57.02 1bwi n ARG 21 Cb 0.41 -5.61 0.00 0.00 -1.16 0.00 0.00 32.46 26.10 1bwi n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bwi n GLY 22 N -1.02 0.74 3.48 -0.13 0.00 -0.30 -5.02 105.19 102.94 1bwi n GLY 22 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1bwi n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bwi s TYR 23 N -2.83 3.21 0.88 1.61 2.02 -0.69 -4.91 117.35 116.63 1bwi s TYR 23 Ca 0.00 -0.44 -0.11 0.00 -0.37 0.00 0.00 57.07 56.15 1bwi s TYR 23 Cb 0.00 -2.73 0.12 0.00 -0.40 0.00 0.00 41.96 38.95 1bwi s TYR 23 CO 0.00 -0.62 1.11 -1.13 -1.57 0.00 0.00 175.55 173.34 1bwi n SER 24 N 5.37 0.38 -0.30 2.29 3.41 -1.26 -0.96 113.62 122.55 1bwi n SER 24 Ca -0.09 0.47 0.13 0.00 -0.26 0.00 0.00 58.87 59.12 1bwi n SER 24 Cb 0.47 -1.47 0.37 0.00 -0.26 0.00 0.00 64.21 63.33 1bwi n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1bwi h LEU 25 N -1.53 0.67 -1.78 1.04 5.85 -1.90 -1.09 115.31 116.58 1bwi h LEU 25 Ca -0.44 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.41 1bwi h LEU 25 Cb 1.28 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 1bwi h LEU 25 CO 0.42 0.31 0.31 1.23 -0.34 0.00 0.00 178.44 180.37 1bwi h GLY 26 N 0.69 0.34 0.94 3.75 0.00 -1.91 -1.93 103.07 104.95 1bwi h GLY 26 Ca 0.49 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.66 1bwi h GLY 26 CO -0.25 0.07 0.01 3.43 0.00 0.00 0.00 176.54 179.80 1bwi h ASN 27 N 0.26 0.66 -0.54 0.19 2.35 -1.43 -1.35 115.58 115.72 1bwi h ASN 27 Ca 0.21 -0.30 -0.10 0.00 -0.55 0.00 0.00 56.30 55.56 1bwi h ASN 27 Cb 0.48 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1bwi h ASN 27 CO -0.04 0.80 -0.05 -0.50 -1.65 0.00 0.00 177.43 175.99 1bwi h TRP 28 N 0.51 1.08 -0.43 1.19 4.06 -1.44 -0.33 115.95 120.60 1bwi h TRP 28 Ca 0.11 -0.21 -0.10 0.00 2.06 0.00 0.00 58.89 60.75 1bwi h TRP 28 Cb 0.45 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.33 1bwi h TRP 28 CO 0.04 1.00 -0.14 0.28 -3.56 0.00 0.00 178.44 176.06 1bwi h VAL 29 N 0.86 1.28 -0.43 1.49 2.07 -1.37 -1.67 116.25 118.47 1bwi h VAL 29 Ca 0.15 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 1bwi h VAL 29 Cb 0.60 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1bwi h VAL 29 CO 0.04 0.43 0.22 0.00 0.02 0.00 0.00 177.57 178.27 1bwi h ALA 31 N 1.07 0.40 -0.75 0.00 0.00 -0.94 -2.17 119.26 116.87 1bwi h ALA 31 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1bwi h ALA 31 Cb 0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1bwi h ALA 31 CO -0.02 -0.12 0.47 0.00 0.00 0.00 0.00 179.25 179.58 1bwi h ALA 32 N 1.09 0.95 -0.01 0.00 0.00 -1.12 0.25 119.26 120.43 1bwi h ALA 32 Ca 0.11 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1bwi h ALA 32 Cb -0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1bwi h ALA 32 CO -0.02 0.40 -0.14 -0.22 0.00 0.00 0.00 179.25 179.26 1bwi h LYS 33 N 1.01 -0.22 0.00 0.00 1.63 -0.84 -1.25 116.57 116.90 1bwi h LYS 33 Ca 0.27 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 1bwi h LYS 33 Cb -0.07 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1bwi h LYS 33 CO -0.05 -0.15 -0.11 0.74 -3.45 0.00 0.00 179.45 176.42 1bwi h PHE 34 N -0.23 0.00 0.19 1.91 0.04 -1.14 -0.07 116.94 117.64 1bwi h PHE 34 Ca 0.05 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.47 1bwi h PHE 34 Cb 0.30 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.46 1bwi h PHE 34 CO -0.20 0.00 -1.71 0.93 -0.60 0.00 0.00 178.31 176.73 1bwi h GLU 35 N 0.00 0.41 0.00 1.51 4.39 -0.30 -3.43 114.58 117.16 1bwi h GLU 35 Ca 0.00 -0.70 0.00 0.00 0.34 0.00 0.00 59.36 59.00 1bwi h GLU 35 Cb 0.89 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1bwi h GLU 35 CO 0.00 1.33 0.00 -1.13 -1.16 0.00 0.00 179.01 178.05 1bwi n SER 36 N -3.60 0.16 -3.12 1.42 3.41 -0.49 -4.83 113.62 106.57 1bwi n SER 36 Ca -0.23 -1.04 -0.23 0.00 -0.26 0.00 0.00 58.87 57.11 1bwi n SER 36 Cb 1.08 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 65.07 1bwi n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bwi n ASN 37 N -0.02 -6.00 -1.13 4.04 5.15 -0.04 -1.64 115.26 115.63 1bwi n ASN 37 Ca 0.00 -0.33 -0.15 0.00 -0.60 0.00 0.00 54.58 53.50 1bwi n ASN 37 Cb 0.29 -4.84 -0.06 0.00 -0.53 0.00 0.00 39.78 34.64 1bwi n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1bwi n PHE 38 N -4.54 0.00 -3.54 1.20 3.72 -1.20 -4.84 117.46 108.25 1bwi n PHE 38 Ca -0.09 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.91 1bwi n PHE 38 Cb 0.61 -2.64 -0.11 0.00 -0.94 0.00 0.00 39.48 36.40 1bwi n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1bwi s ASN 39 N -2.81 6.05 0.59 4.37 2.47 -0.65 -0.99 114.94 123.98 1bwi s ASN 39 Ca 0.00 -0.33 0.37 0.00 0.42 0.00 0.00 52.86 53.32 1bwi s ASN 39 Cb 0.00 -2.13 1.79 0.00 -1.45 0.00 0.00 41.25 39.45 1bwi s ASN 39 CO 0.00 -0.19 2.15 0.71 -3.72 0.00 0.00 177.10 176.04 1bwi h THR 40 N 5.46 0.12 -0.10 -5.21 1.35 -1.46 -2.85 112.91 110.22 1bwi h THR 40 Ca -0.32 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1bwi h THR 40 Cb 1.16 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1bwi h THR 40 CO 0.62 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.91 1bwi n GLN 41 N -3.20 1.73 -1.92 4.72 6.02 -1.26 -4.07 117.38 119.40 1bwi n GLN 41 Ca -0.01 -1.09 -0.41 0.00 -0.01 0.00 0.00 57.00 55.48 1bwi n GLN 41 Cb 0.20 -1.44 -0.02 0.00 1.02 0.00 0.00 30.24 30.01 1bwi n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bwi s ALA 42 N -1.88 3.66 0.00 -1.58 0.00 -1.08 -4.79 121.76 116.10 1bwi s ALA 42 Ca 0.35 1.42 -0.01 0.00 0.00 0.00 0.00 51.96 53.73 1bwi s ALA 42 Cb 0.19 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 1bwi s ALA 42 CO 0.30 -0.84 0.01 0.95 0.00 0.00 0.00 175.76 176.17 1bwi s THR 43 N -0.13 0.04 -0.08 0.00 -4.23 -1.26 -0.46 115.64 109.52 1bwi s THR 43 Ca 0.60 -0.37 -0.04 0.00 -1.18 0.00 0.00 61.69 60.70 1bwi s THR 43 Cb -0.44 -0.13 0.04 0.00 1.34 0.00 0.00 72.50 73.31 1bwi s THR 43 CO 0.47 -0.20 0.19 0.20 -0.54 0.00 0.00 174.62 174.74 1bwi s ASN 44 N -0.59 -0.13 0.18 3.99 -0.87 -0.71 -4.96 114.94 111.84 1bwi s ASN 44 Ca -0.07 0.40 -0.22 0.00 -1.57 0.00 0.00 52.86 51.40 1bwi s ASN 44 Cb -0.04 0.29 -0.08 0.00 -0.02 0.00 0.00 41.25 41.40 1bwi s ASN 44 CO -0.00 -0.16 0.73 -0.60 -2.57 0.00 0.00 177.10 174.49 1bwi s ARG 45 N 1.28 4.39 0.28 -0.60 6.06 -1.26 -0.50 118.95 128.59 1bwi s ARG 45 Ca -0.09 0.99 0.08 0.00 -2.50 0.00 0.00 55.73 54.21 1bwi s ARG 45 Cb -0.11 -3.10 -0.04 0.00 0.06 0.00 0.00 34.95 31.76 1bwi s ARG 45 CO -0.07 0.51 0.18 -0.80 -2.50 0.00 0.00 175.30 172.61 1bwi s ASN 46 N -1.35 5.25 0.40 -2.12 0.02 0.35 -4.96 114.94 112.52 1bwi s ASN 46 Ca 0.38 -0.41 0.12 0.00 -1.02 0.00 0.00 52.86 51.93 1bwi s ASN 46 Cb -0.20 -1.17 0.93 0.00 0.02 0.00 0.00 41.25 40.83 1bwi s ASN 46 CO 0.23 -0.11 1.91 0.74 0.02 0.00 0.00 177.10 179.89 1bwi h THR 47 N 1.51 0.85 0.00 1.60 2.02 -1.98 -0.32 112.91 116.59 1bwi h THR 47 Ca -0.47 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1bwi h THR 47 Cb 1.24 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1bwi h THR 47 CO 0.60 0.10 0.00 -0.90 0.37 0.00 0.00 175.52 175.69 1bwi n ASP 48 N -4.50 0.00 0.00 4.18 5.75 -1.26 -4.86 116.55 115.85 1bwi n ASP 48 Ca 0.14 -1.22 0.00 0.00 -0.01 0.00 0.00 54.79 53.70 1bwi n ASP 48 Cb 0.46 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 1bwi n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bwi n GLY 49 N 0.59 1.76 3.88 6.12 0.00 -0.13 -5.03 105.19 112.39 1bwi n GLY 49 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1bwi n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bwi s SER 50 N -2.57 4.59 0.02 1.61 1.04 -1.26 -4.78 113.70 112.36 1bwi s SER 50 Ca 0.00 0.91 0.02 0.00 0.48 0.00 0.00 55.95 57.36 1bwi s SER 50 Cb 0.00 -1.49 -0.02 0.00 0.10 0.00 0.00 66.02 64.62 1bwi s SER 50 CO 0.00 -1.86 -0.07 -0.89 0.98 0.00 0.00 173.24 171.39 1bwi s THR 51 N -3.47 0.55 -0.16 2.02 2.01 -1.26 -0.49 115.64 114.83 1bwi s THR 51 Ca 0.61 -0.70 -0.08 0.00 0.31 0.00 0.00 61.69 61.83 1bwi s THR 51 Cb -0.12 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1bwi s THR 51 CO 0.50 -0.12 0.13 -1.81 -0.69 0.00 0.00 174.62 172.63 1bwi s ASP 52 N -0.90 6.23 -0.00 3.53 1.01 0.34 -1.15 116.67 125.73 1bwi s ASP 52 Ca -0.04 0.34 0.06 0.00 0.71 0.00 0.00 52.55 53.62 1bwi s ASP 52 Cb -0.06 -2.05 -0.02 0.00 1.01 0.00 0.00 42.92 41.80 1bwi s ASP 52 CO 0.00 0.30 -0.18 -0.31 0.21 0.00 0.00 175.17 175.19 1bwi s TYR 53 N -0.37 1.58 0.00 4.23 1.51 0.01 -1.73 117.35 122.58 1bwi s TYR 53 Ca 0.11 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.87 1bwi s TYR 53 Cb -0.12 -1.00 0.00 0.00 -0.11 0.00 0.00 41.96 40.73 1bwi s TYR 53 CO 0.01 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.85 1bwi n GLY 54 N 2.53 -2.20 0.37 0.71 0.00 0.39 -1.43 105.19 105.56 1bwi n GLY 54 Ca -0.15 -1.49 0.15 0.00 0.00 0.00 0.00 46.02 44.53 1bwi n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bwi h ILE 55 N 0.00 0.81 -0.43 -0.61 2.10 -1.71 -0.61 117.51 117.06 1bwi h ILE 55 Ca 0.00 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.81 1bwi h ILE 55 Cb 0.00 0.39 0.00 0.00 -1.09 0.00 0.00 36.82 36.12 1bwi h ILE 55 CO 0.00 0.07 0.00 0.18 -1.08 0.00 0.00 178.15 177.32 1bwi n LEU 56 N -4.47 3.42 -3.91 2.19 4.77 -1.26 -3.91 117.00 113.83 1bwi n LEU 56 Ca 0.13 -2.18 -0.33 0.00 -0.03 0.00 0.00 56.01 53.60 1bwi n LEU 56 Cb 0.51 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1bwi n LEU 56 CO 0.33 0.78 -0.18 0.00 -1.33 0.00 0.00 177.39 176.99 1bwi n GLN 57 N 0.63 -1.59 -2.50 3.23 1.13 -0.24 -4.91 117.38 113.14 1bwi n GLN 57 Ca 0.17 0.32 -0.41 0.00 -1.94 0.00 0.00 57.00 55.13 1bwi n GLN 57 Cb 0.57 -3.83 -0.04 0.00 0.11 0.00 0.00 30.24 27.06 1bwi n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1bwi s ILE 58 N -3.71 3.94 0.18 5.09 1.01 -0.51 -4.33 121.20 122.86 1bwi s ILE 58 Ca 0.30 1.58 -0.30 0.00 0.00 0.00 0.00 60.65 62.23 1bwi s ILE 58 Cb -0.13 -4.01 -0.07 0.00 0.01 0.00 0.00 42.46 38.26 1bwi s ILE 58 CO 0.91 0.23 0.95 0.21 0.00 0.00 0.00 174.94 177.24 1bwi s ASN 59 N 0.23 7.57 0.31 3.58 3.84 -1.26 -0.81 114.94 128.41 1bwi s ASN 59 Ca 0.52 1.87 0.26 0.00 0.21 0.00 0.00 52.86 55.72 1bwi s ASN 59 Cb -0.29 -2.60 0.84 0.00 -0.55 0.00 0.00 41.25 38.65 1bwi s ASN 59 CO 0.33 0.05 1.76 0.77 -2.79 0.00 0.00 177.10 177.22 1bwi h SER 60 N 4.83 0.00 0.16 -4.21 4.64 -1.37 -1.78 113.55 115.82 1bwi h SER 60 Ca -0.44 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.74 1bwi h SER 60 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1bwi h SER 60 CO 0.70 0.00 -0.50 -0.09 -0.87 0.00 0.00 176.83 176.07 1bwi h ARG 61 N 0.00 0.39 0.00 4.77 2.43 -1.84 -3.40 114.38 116.73 1bwi h ARG 61 Ca 0.00 -0.22 -0.06 0.00 -0.81 0.00 0.00 59.98 58.89 1bwi h ARG 61 Cb 0.66 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1bwi h ARG 61 CO 0.00 0.80 -1.21 0.91 -1.51 0.00 0.00 179.97 178.96 1bwi n TRP 62 N -3.96 0.00 -0.09 2.20 7.02 -1.22 -0.85 117.44 120.53 1bwi n TRP 62 Ca -0.02 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.37 1bwi n TRP 62 Cb 0.56 -0.15 -0.14 0.00 -2.42 0.00 0.00 31.31 29.16 1bwi n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1bwi n TRP 63 N -2.29 0.00 -4.07 -5.99 7.02 -0.67 -1.25 117.44 110.19 1bwi n TRP 63 Ca -0.06 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.35 1bwi n TRP 63 Cb 0.59 -0.86 -0.10 0.00 -2.42 0.00 0.00 31.31 28.52 1bwi n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1bwi s ASN 65 N -2.93 5.60 0.00 0.00 2.47 -0.39 -4.54 114.94 115.14 1bwi s ASN 65 Ca 0.09 -0.01 0.04 0.00 0.42 0.00 0.00 52.86 53.40 1bwi s ASN 65 Cb 0.08 -1.99 0.09 0.00 -1.45 0.00 0.00 41.25 37.98 1bwi s ASN 65 CO -0.09 0.08 1.02 -0.90 -3.72 0.00 0.00 177.10 173.49 1bwi n ASP 66 N 4.19 2.16 0.00 -4.21 5.75 -1.26 -0.93 116.55 122.25 1bwi n ASP 66 Ca -0.16 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 1bwi n ASP 66 Cb 0.52 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 1bwi n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bwi n GLY 67 N -0.11 0.28 0.35 6.12 0.00 -1.26 -4.78 105.19 105.79 1bwi n GLY 67 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1bwi n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1bwi n ARG 68 N -1.08 0.00 -3.94 1.61 1.85 -1.26 -4.99 116.66 108.85 1bwi n ARG 68 Ca 0.00 -0.85 -0.32 0.00 -1.00 0.00 0.00 57.85 55.68 1bwi n ARG 68 Cb 0.20 -0.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.98 1bwi n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1bwi s THR 69 N 0.00 2.65 0.27 8.89 2.01 -1.26 -4.90 115.64 123.30 1bwi s THR 69 Ca 0.00 -2.61 -0.30 0.00 0.31 0.00 0.00 61.69 59.09 1bwi s THR 69 Cb 0.00 -2.88 -0.13 0.00 0.01 0.00 0.00 72.50 69.50 1bwi s THR 69 CO 0.00 -0.69 1.38 -2.65 -0.69 0.00 0.00 174.62 171.97 1bwi n PRO 70 N 3.94 2.10 -1.68 4.92 -0.02 -1.26 -2.26 135.00 140.74 1bwi n PRO 70 Ca 0.04 0.74 -0.12 0.00 -2.02 0.00 0.00 63.50 62.14 1bwi n PRO 70 Cb 0.39 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 1bwi n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bwi n GLY 71 N 1.74 0.74 3.75 -1.23 0.00 -1.26 -4.98 105.19 103.96 1bwi n GLY 71 Ca 0.09 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 1bwi n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bwi s SER 72 N -2.72 7.04 -0.19 1.61 0.15 -0.96 -4.97 113.70 113.66 1bwi s SER 72 Ca 0.00 2.39 -0.10 0.00 0.70 0.00 0.00 55.95 58.94 1bwi s SER 72 Cb 0.00 -2.62 -0.05 0.00 -1.71 0.00 0.00 66.02 61.64 1bwi s SER 72 CO 0.00 -0.36 0.14 -0.13 1.20 0.00 0.00 173.24 174.08 1bwi s ARG 73 N -1.00 4.10 -0.98 5.44 1.81 -0.03 -4.99 118.95 123.30 1bwi s ARG 73 Ca 0.50 -0.20 -0.01 0.00 -1.72 0.00 0.00 55.73 54.30 1bwi s ARG 73 Cb -0.35 -3.39 0.31 0.00 -0.45 0.00 0.00 34.95 31.07 1bwi s ARG 73 CO 0.42 0.36 1.55 -1.71 -0.68 0.00 0.00 175.30 175.24 1bwi n ASN 74 N 3.33 6.51 0.11 0.23 5.15 -1.25 -3.22 115.26 126.11 1bwi n ASN 74 Ca -0.16 -3.58 0.17 0.00 -0.60 0.00 0.00 54.58 50.41 1bwi n ASN 74 Cb 0.52 -1.11 0.72 0.00 -0.53 0.00 0.00 39.78 39.38 1bwi n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1bwi h LEU 75 N 4.52 0.00 -1.06 1.20 3.38 -1.24 -0.19 115.31 121.92 1bwi h LEU 75 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1bwi h LEU 75 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1bwi h LEU 75 CO 1.18 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 179.59 1bwi n ASN 77 N 0.20 -2.21 -3.69 0.00 3.02 -0.09 -5.00 115.26 107.50 1bwi n ASN 77 Ca 0.15 -0.85 -0.12 0.00 -0.03 0.00 0.00 54.58 53.74 1bwi n ASN 77 Cb 0.42 -4.02 -0.06 0.00 -0.61 0.00 0.00 39.78 35.51 1bwi n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1bwi s ILE 78 N -3.63 0.07 0.30 2.41 -4.36 -1.26 -5.07 121.20 109.66 1bwi s ILE 78 Ca 0.11 -0.58 -0.28 0.00 -0.26 0.00 0.00 60.65 59.64 1bwi s ILE 78 Cb -0.03 -1.03 -0.09 0.00 1.25 0.00 0.00 42.46 42.55 1bwi s ILE 78 CO 0.82 -0.32 1.01 -2.84 0.24 0.00 0.00 174.94 173.84 1bwi s PRO 79 N -2.95 4.62 0.53 0.37 0.02 -1.26 -1.26 135.00 135.06 1bwi s PRO 79 Ca -0.02 1.55 0.24 0.00 0.02 0.00 0.00 61.00 62.79 1bwi s PRO 79 Cb 0.00 -3.02 1.39 0.00 0.02 0.00 0.00 34.50 32.90 1bwi s PRO 79 CO -0.06 0.27 2.02 0.00 -0.33 0.00 0.00 177.00 178.90 1bwi h SER 81 N 0.00 0.14 0.06 0.00 4.64 -1.91 -0.95 113.55 115.53 1bwi h SER 81 Ca 0.21 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 1bwi h SER 81 Cb 0.86 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1bwi h SER 81 CO -0.00 0.10 -0.02 0.00 -0.87 0.00 0.00 176.83 176.03 1bwi h ALA 82 N 1.88 1.52 0.00 5.18 0.00 -1.67 -1.53 119.26 124.64 1bwi h ALA 82 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1bwi h ALA 82 Cb 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1bwi h ALA 82 CO -0.01 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1bwi n LEU 83 N -3.87 0.00 -0.86 0.00 4.77 -0.36 -3.15 117.00 113.52 1bwi n LEU 83 Ca -0.03 0.33 0.12 0.00 -0.03 0.00 0.00 56.01 56.40 1bwi n LEU 83 Cb 0.11 -0.33 0.08 0.00 -2.33 0.00 0.00 43.42 40.95 1bwi n LEU 83 CO 0.28 -0.06 0.57 0.18 -1.33 0.00 0.00 177.39 177.03 1bwi n LEU 84 N -1.33 2.79 -4.69 2.23 4.77 -0.58 -4.13 117.00 116.06 1bwi n LEU 84 Ca 0.10 -0.96 -0.34 0.00 -0.03 0.00 0.00 56.01 54.79 1bwi n LEU 84 Cb 0.22 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.43 1bwi n LEU 84 CO 0.20 0.47 0.77 -0.24 -1.33 0.00 0.00 177.39 177.26 1bwi n SER 85 N 1.09 1.07 0.18 -1.43 2.88 -1.19 -4.17 113.62 112.05 1bwi n SER 85 Ca 0.13 0.60 0.14 0.00 -1.33 0.00 0.00 58.87 58.40 1bwi n SER 85 Cb 0.56 -1.51 0.49 0.00 -0.75 0.00 0.00 64.21 63.00 1bwi n SER 85 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1bwi h SER 86 N -0.85 0.00 -3.59 -3.46 4.64 -1.93 -3.40 113.55 104.95 1bwi h SER 86 Ca -0.46 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.21 1bwi h SER 86 Cb 1.30 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.25 1bwi h SER 86 CO 0.46 0.00 0.01 -0.62 -0.87 0.00 0.00 176.83 175.81 1bwi s ASP 87 N -5.01 6.35 0.00 4.97 2.15 -1.26 -4.95 116.67 118.92 1bwi s ASP 87 Ca 0.05 0.03 0.19 0.00 0.43 0.00 0.00 52.55 53.25 1bwi s ASP 87 Cb 0.09 -2.29 1.13 0.00 -0.30 0.00 0.00 42.92 41.56 1bwi s ASP 87 CO 0.52 -0.51 1.64 2.30 -0.17 0.00 0.00 175.17 178.94 1bwi n ILE 88 N 5.47 0.00 -0.09 4.11 -5.35 -1.26 -4.30 119.36 117.94 1bwi n ILE 88 Ca -0.04 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.38 1bwi n ILE 88 Cb 0.49 -0.41 -0.00 0.00 -1.74 0.00 0.00 39.64 37.97 1bwi n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1bwi h THR 89 N 0.00 0.37 -0.75 7.28 2.02 -1.94 0.95 112.91 120.83 1bwi h THR 89 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1bwi h THR 89 Cb 0.00 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 66.73 1bwi h THR 89 CO 0.00 0.00 0.48 0.00 0.37 0.00 0.00 175.52 176.37 1bwi h ALA 90 N 0.95 0.97 -0.41 6.16 0.00 -1.87 0.07 119.26 125.12 1bwi h ALA 90 Ca 0.17 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1bwi h ALA 90 Cb 0.46 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1bwi h ALA 90 CO -0.46 0.30 0.15 0.77 0.00 0.00 0.00 179.25 180.01 1bwi h SER 91 N 0.95 0.58 -0.21 0.00 0.02 -1.65 -1.94 113.55 111.30 1bwi h SER 91 Ca 0.29 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1bwi h SER 91 Cb -0.03 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1bwi h SER 91 CO -0.09 0.60 0.09 0.58 -1.14 0.00 0.00 176.83 176.86 1bwi h VAL 92 N 0.52 1.16 -0.82 2.27 2.07 -0.32 -0.48 116.25 120.65 1bwi h VAL 92 Ca 0.14 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1bwi h VAL 92 Cb 0.21 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1bwi h VAL 92 CO -0.01 0.16 0.53 0.78 0.02 0.00 0.00 177.57 179.05 1bwi h ASN 93 N 0.19 0.89 -0.25 0.57 2.35 -0.94 -1.59 115.58 116.81 1bwi h ASN 93 Ca 0.07 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.65 1bwi h ASN 93 Cb 0.17 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1bwi h ASN 93 CO -0.01 0.63 -0.43 0.00 -1.65 0.00 0.00 177.43 175.97 1bwi h ALA 95 N 0.86 1.50 -0.79 0.00 0.00 -0.51 -1.20 119.26 119.13 1bwi h ALA 95 Ca 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1bwi h ALA 95 Cb 1.00 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1bwi h ALA 95 CO 0.10 0.44 0.37 0.87 0.00 0.00 0.00 179.25 181.03 1bwi h LYS 96 N 0.87 1.14 -0.34 0.00 1.57 -1.17 0.12 116.57 118.76 1bwi h LYS 96 Ca 0.23 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1bwi h LYS 96 Cb -0.06 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1bwi h LYS 96 CO -0.05 0.89 -0.14 0.87 -0.57 0.00 0.00 179.45 180.45 1bwi h LYS 97 N 1.13 0.70 0.21 3.15 1.57 -1.18 -2.92 116.57 119.23 1bwi h LYS 97 Ca 0.27 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1bwi h LYS 97 Cb 0.13 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1bwi h LYS 97 CO -0.03 0.89 -0.10 0.82 -0.57 0.00 0.00 179.45 180.45 1bwi h ILE 98 N 0.48 0.80 0.00 1.86 2.04 -0.81 -2.65 117.51 119.22 1bwi h ILE 98 Ca 0.08 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1bwi h ILE 98 Cb 0.66 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1bwi h ILE 98 CO 0.04 0.00 0.00 1.62 0.00 0.00 0.00 178.15 179.82 1bwi h VAL 99 N -0.29 0.00 -0.01 1.67 3.04 -1.02 -2.07 116.25 117.57 1bwi h VAL 99 Ca -0.03 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1bwi h VAL 99 Cb 0.22 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 30.31 1bwi h VAL 99 CO 0.05 0.00 -0.46 -1.20 -1.01 0.00 0.00 177.57 174.95 1bwi n SER 100 N -2.41 1.26 -0.11 3.17 7.64 -1.02 -3.82 113.62 118.33 1bwi n SER 100 Ca -0.00 -1.01 0.05 0.00 1.01 0.00 0.00 58.87 58.93 1bwi n SER 100 Cb 0.14 0.37 0.28 0.00 -1.01 0.00 0.00 64.21 63.98 1bwi n SER 100 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1bwi n ASP 101 N -0.69 0.32 0.00 6.43 5.75 -0.78 -4.93 116.55 122.66 1bwi n ASP 101 Ca 0.09 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 1bwi n ASP 101 Cb 0.38 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 1bwi n ASP 101 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bwi n GLY 102 N 0.73 2.98 1.40 6.12 0.00 -1.26 -4.95 105.19 110.21 1bwi n GLY 102 Ca 0.08 -0.52 0.07 0.00 0.00 0.00 0.00 46.02 45.65 1bwi n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bwi n ASN 103 N 0.00 4.13 0.00 1.61 6.94 -1.26 -5.04 115.26 121.63 1bwi n ASN 103 Ca 0.00 -2.47 0.00 0.00 -0.02 0.00 0.00 54.58 52.09 1bwi n ASN 103 Cb 0.00 -0.56 0.00 0.00 -2.36 0.00 0.00 39.78 36.86 1bwi n ASN 103 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bwi n GLY 104 N 0.80 2.49 0.00 4.83 0.00 -1.25 -1.86 105.19 110.20 1bwi n GLY 104 Ca 0.21 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 46.00 1bwi n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1bwi n MET 105 N 13.80 0.53 0.06 1.61 2.81 -1.26 -2.96 117.12 131.71 1bwi n MET 105 Ca 0.00 0.04 0.07 0.00 -1.81 0.00 0.00 57.70 56.00 1bwi n MET 105 Cb 0.00 -1.50 0.33 0.00 -0.71 0.00 0.00 33.22 31.34 1bwi n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1bwi n ASN 106 N -1.14 0.27 0.30 7.83 3.02 -0.78 -1.37 115.26 123.39 1bwi n ASN 106 Ca 0.14 0.59 0.18 0.00 -0.03 0.00 0.00 54.58 55.46 1bwi n ASN 106 Cb 0.13 -0.64 0.89 0.00 -0.61 0.00 0.00 39.78 39.55 1bwi n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bwi h ALA 107 N 2.22 1.08 -2.53 5.41 0.00 -1.69 -3.38 119.26 120.38 1bwi h ALA 107 Ca 0.00 -0.03 -0.73 0.00 0.00 0.00 0.00 54.91 54.15 1bwi h ALA 107 Cb 0.17 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 17.72 1bwi h ALA 107 CO 0.00 0.04 -0.41 -1.58 0.00 0.00 0.00 179.25 177.31 1bwi s TRP 108 N -3.99 3.27 0.22 0.00 0.51 -0.47 -4.98 118.94 113.49 1bwi s TRP 108 Ca -0.02 -1.02 -0.08 0.00 -2.12 0.00 0.00 56.10 52.85 1bwi s TRP 108 Cb 0.12 -2.91 0.32 0.00 -0.81 0.00 0.00 33.47 30.18 1bwi s TRP 108 CO 0.51 -0.75 1.73 0.28 -0.51 0.00 0.00 176.95 178.21 1bwi h VAL 109 N 5.83 0.71 -0.44 4.03 2.07 -1.85 -0.96 116.25 125.65 1bwi h VAL 109 Ca -0.26 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1bwi h VAL 109 Cb 1.10 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1bwi h VAL 109 CO 0.79 0.07 0.13 0.00 0.02 0.00 0.00 177.57 178.58 1bwi h ALA 110 N 1.46 1.41 -0.18 1.67 0.00 -1.93 -0.16 119.26 121.53 1bwi h ALA 110 Ca 0.33 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1bwi h ALA 110 Cb 0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1bwi h ALA 110 CO -0.35 0.44 -0.04 2.35 0.00 0.00 0.00 179.25 181.65 1bwi h TRP 111 N 0.63 0.38 -0.66 0.00 7.01 -1.53 0.34 115.95 122.12 1bwi h TRP 111 Ca 0.15 -0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 1bwi h TRP 111 Cb 0.20 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.14 1bwi h TRP 111 CO 0.01 0.60 0.36 -0.09 -2.79 0.00 0.00 178.44 176.52 1bwi h ARG 112 N 0.05 0.93 0.00 2.65 2.43 -0.99 0.24 114.38 119.68 1bwi h ARG 112 Ca 0.05 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1bwi h ARG 112 Cb 0.47 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1bwi h ARG 112 CO 0.02 0.70 -0.55 -0.91 -1.51 0.00 0.00 179.97 177.72 1bwi h ASN 113 N 0.90 0.00 0.00 -3.80 2.35 -0.95 -3.37 115.58 110.71 1bwi h ASN 113 Ca 0.23 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1bwi h ASN 113 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1bwi h ASN 113 CO -0.04 0.00 -0.04 0.54 -1.65 0.00 0.00 177.43 176.25 1bwi n ARG 114 N -2.84 3.94 -0.01 0.81 1.74 0.12 -4.90 116.66 115.52 1bwi n ARG 114 Ca 0.02 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.08 1bwi n ARG 114 Cb 0.54 -0.32 -0.01 0.00 -1.02 0.00 0.00 32.46 31.64 1bwi n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bwi n LYS 116 N -2.71 1.41 -1.03 0.00 4.81 0.65 -1.41 118.16 119.89 1bwi n LYS 116 Ca -0.04 0.51 -0.01 0.00 -0.87 0.00 0.00 58.31 57.90 1bwi n LYS 116 Cb 0.54 -2.20 -0.00 0.00 0.02 0.00 0.00 35.03 33.38 1bwi n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bwi n GLY 117 N 3.24 0.43 3.88 3.14 0.00 -1.26 -4.97 105.19 109.66 1bwi n GLY 117 Ca 0.20 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1bwi n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bwi s THR 118 N -1.80 2.48 -1.28 2.61 -4.23 -0.50 -5.01 115.64 107.93 1bwi s THR 118 Ca 0.00 -1.36 -0.19 0.00 -1.18 0.00 0.00 61.69 58.96 1bwi s THR 118 Cb 0.00 -2.84 0.05 0.00 1.34 0.00 0.00 72.50 71.04 1bwi s THR 118 CO 0.00 0.00 1.76 -0.62 -0.54 0.00 0.00 174.62 175.22 1bwi s ASP 119 N -4.17 6.58 0.56 3.99 2.15 -1.26 -4.75 116.67 119.77 1bwi s ASP 119 Ca 0.47 -2.31 0.37 0.00 0.43 0.00 0.00 52.55 51.50 1bwi s ASP 119 Cb -0.03 -2.58 1.87 0.00 -0.30 0.00 0.00 42.92 41.88 1bwi s ASP 119 CO 0.27 -1.44 2.12 -0.37 -0.17 0.00 0.00 175.17 175.58 1bwi h VAL 120 N 5.69 0.00 -0.20 1.11 -1.51 -1.90 -2.57 116.25 116.86 1bwi h VAL 120 Ca 0.41 -0.16 0.05 0.00 -1.23 0.00 0.00 66.70 65.78 1bwi h VAL 120 Cb 0.88 1.06 -0.01 0.00 -2.13 0.00 0.00 31.29 31.10 1bwi h VAL 120 CO 1.43 0.00 0.14 -0.61 -1.23 0.00 0.00 177.57 177.30 1bwi h GLN 121 N 0.00 0.02 -0.14 5.19 -0.00 -1.88 -1.57 115.11 116.72 1bwi h GLN 121 Ca 0.00 -0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.69 1bwi h GLN 121 Cb 0.17 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.64 1bwi h GLN 121 CO 0.00 0.01 0.11 0.00 0.00 0.00 0.00 178.83 178.95 1bwi h ALA 122 N 1.90 2.10 0.00 3.38 0.00 -1.86 -2.17 119.26 122.61 1bwi h ALA 122 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1bwi h ALA 122 Cb 0.35 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1bwi h ALA 122 CO -0.00 -0.18 0.00 -1.49 0.00 0.00 0.00 179.25 177.58 1bwi h TRP 123 N 0.00 0.00 -0.06 0.00 4.06 -1.51 -2.53 115.95 115.91 1bwi h TRP 123 Ca 0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.02 1bwi h TRP 123 Cb 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.44 1bwi h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1bwi n ILE 124 N -2.76 0.42 -1.76 1.49 -5.35 -0.83 -4.82 119.36 105.75 1bwi n ILE 124 Ca -0.00 -0.71 -0.42 0.00 -0.27 0.00 0.00 62.75 61.35 1bwi n ILE 124 Cb 0.18 0.84 -0.02 0.00 -1.74 0.00 0.00 39.64 38.91 1bwi n ILE 124 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bwi s ARG 125 N -0.64 4.11 0.00 6.28 1.70 -0.96 -2.25 118.95 127.20 1bwi s ARG 125 Ca 0.07 2.60 0.00 0.00 -0.47 0.00 0.00 55.73 57.93 1bwi s ARG 125 Cb 0.04 -3.02 0.00 0.00 -0.57 0.00 0.00 34.95 31.40 1bwi s ARG 125 CO 0.06 -0.66 0.00 0.41 -1.08 0.00 0.00 175.30 174.03 1bwi n GLY 126 N 2.32 1.80 3.80 3.88 0.00 -1.26 -5.03 105.19 110.69 1bwi n GLY 126 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1bwi n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwi s ARG 128 N -0.99 3.16 0.00 0.00 3.52 -1.26 -5.13 118.95 118.25 1bwi s ARG 128 Ca 0.31 -0.85 0.17 0.00 -0.13 0.00 0.00 55.73 55.23 1bwi s ARG 128 Cb -0.20 -4.29 0.13 0.00 -1.56 0.00 0.00 34.95 29.03 1bwi s ARG 128 CO 0.21 -1.85 1.03 1.28 -0.81 0.00 0.00 175.30 175.16