#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh5 h LYS 10 N 0.00 0.00 -0.17 -1.09 2.10 -2.04 -3.28 116.57 112.09 2wh5 h LYS 10 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2wh5 h LYS 10 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 2wh5 h LYS 10 CO 0.00 0.64 0.09 1.96 -2.00 0.00 0.00 179.45 180.15 2wh5 h GLN 11 N 0.00 0.24 0.01 0.07 4.20 -2.01 -1.48 115.11 116.14 2wh5 h GLN 11 Ca -0.01 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.70 2wh5 h GLN 11 Cb 1.20 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.88 2wh5 h GLN 11 CO 0.08 0.25 -0.34 0.35 -0.67 0.00 0.00 178.83 178.51 2wh5 h PHE 12 N 0.17 -0.95 -0.38 2.96 3.57 -1.90 0.22 116.94 120.63 2wh5 h PHE 12 Ca 0.06 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.68 2wh5 h PHE 12 Cb 0.09 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 2wh5 h PHE 12 CO -0.04 -0.43 0.27 1.96 -2.23 0.00 0.00 178.31 177.84 2wh5 h GLN 13 N -0.50 0.11 0.01 1.11 4.20 -1.60 0.56 115.11 118.99 2wh5 h GLN 13 Ca 0.06 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 2wh5 h GLN 13 Cb 0.58 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2wh5 h GLN 13 CO -0.27 0.07 -0.00 0.00 -0.67 0.00 0.00 178.83 177.95 2wh5 h ALA 14 N 1.81 -0.01 -0.06 3.87 0.00 -0.08 -1.94 119.26 122.85 2wh5 h ALA 14 Ca 0.18 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2wh5 h ALA 14 Cb 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2wh5 h ALA 14 CO -0.02 -0.28 -0.37 0.00 0.00 0.00 0.00 179.25 178.58 2wh5 h ALA 15 N 0.53 -0.53 -0.92 0.00 0.00 0.15 -0.56 119.26 117.93 2wh5 h ALA 15 Ca -0.00 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.14 2wh5 h ALA 15 Cb 0.45 0.68 -0.13 0.00 0.00 0.00 0.00 17.79 18.79 2wh5 h ALA 15 CO 0.00 -0.88 0.40 0.28 0.00 0.00 0.00 179.25 179.05 2wh5 h VAL 16 N -0.49 0.42 0.35 0.00 2.07 -0.96 -1.43 116.25 116.21 2wh5 h VAL 16 Ca 0.07 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2wh5 h VAL 16 Cb 0.60 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2wh5 h VAL 16 CO -0.33 0.07 -0.17 0.28 0.02 0.00 0.00 177.57 177.44 2wh5 h SER 17 N 0.36 -0.40 -0.68 0.57 0.02 -0.39 -0.42 113.55 112.61 2wh5 h SER 17 Ca 0.59 0.01 0.14 0.00 -0.84 0.00 0.00 61.79 61.69 2wh5 h SER 17 Cb 1.17 0.10 -0.13 0.00 0.14 0.00 0.00 62.40 63.69 2wh5 h SER 17 CO -0.56 -0.28 -0.12 0.58 -1.14 0.00 0.00 176.83 175.31 2wh5 h VAL 18 N -0.48 0.34 -0.18 2.27 2.07 -0.15 -1.29 116.25 118.83 2wh5 h VAL 18 Ca -0.05 -0.01 -0.14 0.00 0.82 0.00 0.00 66.70 67.33 2wh5 h VAL 18 Cb 0.36 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2wh5 h VAL 18 CO 0.08 0.01 -0.47 0.40 0.02 0.00 0.00 177.57 177.61 2wh5 h ILE 19 N 0.03 1.32 -0.12 4.57 1.08 -1.16 -2.69 117.51 120.54 2wh5 h ILE 19 Ca 0.34 -1.67 -0.13 0.00 -0.39 0.00 0.00 64.86 63.01 2wh5 h ILE 19 Cb 0.54 1.69 -0.01 0.00 -3.07 0.00 0.00 36.82 35.97 2wh5 h ILE 19 CO -0.67 0.51 -0.51 1.56 -0.69 0.00 0.00 178.15 178.35 2wh5 h GLN 20 N 0.37 0.32 -0.01 2.37 4.20 -0.01 -3.11 115.11 119.25 2wh5 h GLN 20 Ca 0.02 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.54 2wh5 h GLN 20 Cb 0.96 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.76 2wh5 h GLN 20 CO 0.08 0.76 -0.12 0.09 -0.67 0.00 0.00 178.83 178.97 2wh5 n ASN 21 N -3.95 1.21 -4.61 1.46 3.02 -0.60 -4.93 115.26 106.87 2wh5 n ASN 21 Ca -0.02 -1.17 -0.32 0.00 -0.03 0.00 0.00 54.58 53.04 2wh5 n ASN 21 Cb 0.56 0.06 0.15 0.00 -0.61 0.00 0.00 39.78 39.94 2wh5 n ASN 21 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2wh5 n LEU 22 N -0.27 2.60 -4.79 3.41 4.32 -1.02 -4.99 117.00 116.26 2wh5 n LEU 22 Ca 0.16 0.42 -0.34 0.00 -0.02 0.00 0.00 56.01 56.23 2wh5 n LEU 22 Cb 0.34 -1.42 -0.03 0.00 -1.62 0.00 0.00 43.42 40.70 2wh5 n LEU 22 CO 0.21 -2.46 0.73 -2.16 -1.22 0.00 0.00 177.39 172.49 2wh5 s PRO 23 N -4.31 3.77 0.23 3.23 0.05 -1.26 -4.96 135.00 131.74 2wh5 s PRO 23 Ca 0.65 1.41 -0.04 0.00 0.05 0.00 0.00 61.00 63.07 2wh5 s PRO 23 Cb -0.24 -2.12 0.23 0.00 0.05 0.00 0.00 34.50 32.42 2wh5 s PRO 23 CO 0.59 -0.47 1.69 1.57 0.05 0.00 0.00 177.00 180.44 2wh5 h LYS 24 N 1.58 0.85 -6.39 4.56 -0.00 -1.98 -3.43 116.57 111.78 2wh5 h LYS 24 Ca -0.49 -0.27 -0.63 0.00 -0.00 0.00 0.00 60.65 59.25 2wh5 h LYS 24 Cb 1.23 -0.08 -0.16 0.00 -0.00 0.00 0.00 32.23 33.22 2wh5 h LYS 24 CO 0.59 0.90 -0.79 -0.80 -0.00 0.00 0.00 179.45 179.35 2wh5 s ASN 25 N -6.66 3.49 0.00 7.07 0.01 -1.26 -5.13 114.94 112.46 2wh5 s ASN 25 Ca -0.10 -0.95 0.00 0.00 -0.71 0.00 0.00 52.86 51.10 2wh5 s ASN 25 Cb 0.14 -0.27 0.00 0.00 0.41 0.00 0.00 41.25 41.53 2wh5 s ASN 25 CO 0.83 0.07 0.00 0.61 -1.51 0.00 0.00 177.10 177.10 2wh5 n GLY 26 N -0.19 -1.48 0.24 0.66 0.00 -1.26 -5.02 105.19 98.14 2wh5 n GLY 26 Ca -0.09 -1.02 0.02 0.00 0.00 0.00 0.00 46.02 44.93 2wh5 n GLY 26 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wh5 h SER 27 N 0.00 0.24 -3.16 1.61 4.64 -2.00 -3.40 113.55 111.47 2wh5 h SER 27 Ca 0.00 -0.05 -0.59 0.00 -0.47 0.00 0.00 61.79 60.68 2wh5 h SER 27 Cb 0.00 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 61.98 2wh5 h SER 27 CO 0.00 0.41 -0.11 -0.47 -0.87 0.00 0.00 176.83 175.79 2wh5 s TYR 28 N -4.70 3.74 -0.30 4.77 5.04 -1.26 -5.07 117.35 119.57 2wh5 s TYR 28 Ca -0.05 1.13 0.03 0.00 -2.44 0.00 0.00 57.07 55.73 2wh5 s TYR 28 Cb 0.15 -2.43 0.08 0.00 0.35 0.00 0.00 41.96 40.12 2wh5 s TYR 28 CO 0.74 0.56 -0.00 -0.98 -1.34 0.00 0.00 175.55 174.52 2wh5 s ARG 29 N -0.88 1.64 0.41 4.97 1.70 -1.26 -5.03 118.95 120.50 2wh5 s ARG 29 Ca 0.27 -1.53 -0.26 0.00 -0.47 0.00 0.00 55.73 53.73 2wh5 s ARG 29 Cb -0.18 -2.92 -0.09 0.00 -0.57 0.00 0.00 34.95 31.19 2wh5 s ARG 29 CO 0.16 -0.79 1.38 -2.14 -1.08 0.00 0.00 175.30 172.82 2wh5 s PRO 30 N 1.09 3.92 0.87 3.89 0.02 -1.26 -5.01 135.00 138.52 2wh5 s PRO 30 Ca 0.03 2.33 -0.11 0.00 0.02 0.00 0.00 61.00 63.26 2wh5 s PRO 30 Cb -0.19 -2.78 0.11 0.00 0.02 0.00 0.00 34.50 31.66 2wh5 s PRO 30 CO -0.09 -0.60 1.09 -1.54 -0.33 0.00 0.00 177.00 175.54 2wh5 s SER 31 N -0.54 3.75 0.17 2.53 1.04 -1.26 -4.85 113.70 114.54 2wh5 s SER 31 Ca 0.57 1.45 -0.13 0.00 0.48 0.00 0.00 55.95 58.32 2wh5 s SER 31 Cb -0.42 -2.14 0.07 0.00 0.10 0.00 0.00 66.02 63.63 2wh5 s SER 31 CO 0.54 -2.46 1.74 1.88 0.98 0.00 0.00 173.24 175.93 2wh5 h TYR 32 N -1.42 0.83 -0.29 5.02 0.05 -1.99 -0.91 116.97 118.26 2wh5 h TYR 32 Ca -0.49 -0.05 0.07 0.00 0.05 0.00 0.00 58.73 58.31 2wh5 h TYR 32 Cb 1.28 -0.25 -0.07 0.00 1.01 0.00 0.00 36.73 38.69 2wh5 h TYR 32 CO 0.44 0.65 -0.23 1.49 -1.05 0.00 0.00 178.16 179.46 2wh5 h GLU 33 N 0.77 -0.20 -0.46 4.88 4.81 -1.98 0.20 114.58 122.60 2wh5 h GLU 33 Ca 0.19 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.48 2wh5 h GLU 33 Cb 0.14 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 2wh5 h GLU 33 CO -0.02 -0.13 0.22 0.93 -0.73 0.00 0.00 179.01 179.28 2wh5 h GLU 34 N -0.21 0.43 -0.11 1.92 5.08 -1.83 0.36 114.58 120.23 2wh5 h GLU 34 Ca 0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2wh5 h GLU 34 Cb 0.44 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2wh5 h GLU 34 CO -0.41 0.28 0.07 0.52 -1.00 0.00 0.00 179.01 178.47 2wh5 h MET 35 N 0.44 0.14 -0.30 2.33 2.86 -0.63 -1.88 114.93 117.89 2wh5 h MET 35 Ca 0.20 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.73 2wh5 h MET 35 Cb 0.12 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 2wh5 h MET 35 CO -0.15 0.10 -0.25 -0.07 1.06 0.00 0.00 176.91 177.61 2wh5 h LEU 36 N 0.14 0.59 0.29 1.22 3.38 0.27 0.84 115.31 122.04 2wh5 h LEU 36 Ca 0.04 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2wh5 h LEU 36 Cb -0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2wh5 h LEU 36 CO -0.01 0.83 -0.40 0.03 0.09 0.00 0.00 178.44 178.98 2wh5 h ARG 37 N 0.51 -0.69 -0.72 1.13 2.47 -0.11 0.16 114.38 117.13 2wh5 h ARG 37 Ca 0.07 0.05 0.14 0.00 -1.26 0.00 0.00 59.98 58.98 2wh5 h ARG 37 Cb 0.70 0.16 -0.09 0.00 -1.65 0.00 0.00 29.97 29.08 2wh5 h ARG 37 CO 0.05 -0.46 0.25 0.74 0.56 0.00 0.00 179.97 181.12 2wh5 h PHE 38 N -0.71 0.42 0.02 3.04 0.04 -1.13 -1.12 116.94 117.50 2wh5 h PHE 38 Ca -0.03 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 2wh5 h PHE 38 Cb 0.65 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.72 2wh5 h PHE 38 CO -0.29 0.03 -0.01 -0.92 -0.60 0.00 0.00 178.31 176.52 2wh5 h TYR 39 N 0.39 -0.03 -0.15 -0.55 3.20 -0.60 -1.49 116.97 117.74 2wh5 h TYR 39 Ca 0.39 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.24 2wh5 h TYR 39 Cb 0.60 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 2wh5 h TYR 39 CO -0.19 0.17 0.01 0.66 -1.64 0.00 0.00 178.16 177.18 2wh5 h SER 40 N -0.22 0.24 -0.96 -2.11 4.64 -0.45 -1.69 113.55 113.00 2wh5 h SER 40 Ca -0.00 -0.28 0.08 0.00 -0.47 0.00 0.00 61.79 61.11 2wh5 h SER 40 Cb 0.21 -0.06 -0.07 0.00 -0.31 0.00 0.00 62.40 62.17 2wh5 h SER 40 CO 0.00 0.46 0.62 1.88 -0.87 0.00 0.00 176.83 178.93 2wh5 h TYR 41 N 0.01 1.11 -0.36 4.77 0.05 -1.22 -1.26 116.97 120.08 2wh5 h TYR 41 Ca 0.04 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.77 2wh5 h TYR 41 Cb 0.33 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 2wh5 h TYR 41 CO 0.02 0.56 -0.10 -0.92 -1.05 0.00 0.00 178.16 176.67 2wh5 h TYR 42 N 1.07 0.68 -0.05 4.88 3.20 -0.84 0.16 116.97 126.07 2wh5 h TYR 42 Ca 0.42 -0.11 -0.13 0.00 3.14 0.00 0.00 58.73 62.06 2wh5 h TYR 42 Cb 0.25 -0.18 0.01 0.00 1.54 0.00 0.00 36.73 38.34 2wh5 h TYR 42 CO -0.00 0.71 -0.46 0.87 -1.64 0.00 0.00 178.16 177.64 2wh5 h LYS 43 N 0.58 0.40 -0.78 1.82 1.79 -0.73 -1.55 116.57 118.09 2wh5 h LYS 43 Ca 0.10 -0.36 0.12 0.00 -2.18 0.00 0.00 60.65 58.33 2wh5 h LYS 43 Cb 0.52 0.09 -0.08 0.00 -1.58 0.00 0.00 32.23 31.17 2wh5 h LYS 43 CO 0.03 1.01 0.39 0.37 -1.08 0.00 0.00 179.45 180.17 2wh5 h GLN 44 N -0.08 0.58 -0.41 3.15 5.75 -1.03 0.20 115.11 123.27 2wh5 h GLN 44 Ca -0.04 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.32 2wh5 h GLN 44 Cb 1.13 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.54 2wh5 h GLN 44 CO 0.09 0.38 -0.15 0.00 -2.65 0.00 0.00 178.83 176.51 2wh5 h ALA 45 N 1.50 0.57 0.00 3.38 0.00 -0.87 -1.86 119.26 121.98 2wh5 h ALA 45 Ca 0.41 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 2wh5 h ALA 45 Cb 0.52 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2wh5 h ALA 45 CO -0.33 0.49 -2.03 0.25 0.00 0.00 0.00 179.25 177.63 2wh5 n THR 46 N -4.27 0.85 0.00 0.00 -2.24 -0.59 -4.54 114.28 103.49 2wh5 n THR 46 Ca -0.01 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 2wh5 n THR 46 Cb 0.40 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 2wh5 n THR 46 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2wh5 n MET 47 N -2.61 4.15 0.00 -0.78 2.81 0.66 -5.08 117.12 116.28 2wh5 n MET 47 Ca -0.18 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.71 2wh5 n MET 47 Cb 0.88 -0.64 0.00 0.00 -0.71 0.00 0.00 33.22 32.75 2wh5 n MET 47 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wh5 n GLY 48 N 1.41 -1.66 3.76 3.03 0.00 -0.70 -4.94 105.19 106.10 2wh5 n GLY 48 Ca 0.00 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 2wh5 n GLY 48 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wh5 s PRO 49 N 0.00 3.20 -0.25 1.61 0.02 -1.26 -4.06 135.00 134.25 2wh5 s PRO 49 Ca 0.00 1.79 -0.29 0.00 0.02 0.00 0.00 61.00 62.52 2wh5 s PRO 49 Cb 0.00 -2.04 -0.01 0.00 0.02 0.00 0.00 34.50 32.47 2wh5 s PRO 49 CO 0.00 -1.02 1.41 0.00 -0.33 0.00 0.00 177.00 177.07 2wh5 n LEU 51 N 7.77 1.01 -4.92 0.00 4.77 -1.26 -4.94 117.00 119.43 2wh5 n LEU 51 Ca 0.16 -1.18 -0.26 0.00 -0.03 0.00 0.00 56.01 54.70 2wh5 n LEU 51 Cb 0.46 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.52 2wh5 n LEU 51 CO 0.63 0.29 0.46 0.68 -1.33 0.00 0.00 177.39 178.11 2wh5 s VAL 52 N -0.66 4.30 0.65 4.08 -7.23 -1.26 -5.05 120.40 115.23 2wh5 s VAL 52 Ca 0.03 0.03 -0.16 0.00 -1.81 0.00 0.00 61.98 60.07 2wh5 s VAL 52 Cb 0.03 -3.66 -0.00 0.00 0.56 0.00 0.00 36.38 33.31 2wh5 s VAL 52 CO 0.00 -0.63 1.13 -2.84 -0.31 0.00 0.00 175.10 172.46 2wh5 s PRO 53 N -4.81 2.76 0.06 4.82 0.02 -1.26 -5.00 135.00 131.59 2wh5 s PRO 53 Ca 0.50 1.50 -0.23 0.00 0.02 0.00 0.00 61.00 62.80 2wh5 s PRO 53 Cb -0.10 -1.94 -0.06 0.00 0.02 0.00 0.00 34.50 32.42 2wh5 s PRO 53 CO 0.44 -1.30 0.68 0.50 -0.33 0.00 0.00 177.00 176.99 2wh5 s ARG 54 N -3.92 4.40 0.81 5.54 3.52 -1.26 -5.05 118.95 122.99 2wh5 s ARG 54 Ca 0.69 0.92 -0.12 0.00 -0.13 0.00 0.00 55.73 57.09 2wh5 s ARG 54 Cb -0.23 -3.31 0.09 0.00 -1.56 0.00 0.00 34.95 29.94 2wh5 s ARG 54 CO 0.40 0.43 1.17 -2.14 -0.81 0.00 0.00 175.30 174.35 2wh5 s PRO 55 N -0.51 1.67 0.30 5.12 0.02 -1.26 -5.04 135.00 135.29 2wh5 s PRO 55 Ca 0.34 1.60 -0.00 0.00 0.02 0.00 0.00 61.00 62.95 2wh5 s PRO 55 Cb -0.20 -1.80 0.06 0.00 0.02 0.00 0.00 34.50 32.58 2wh5 s PRO 55 CO 0.21 -2.16 0.41 0.41 -0.33 0.00 0.00 177.00 175.54 2wh5 n GLY 56 N 0.12 0.69 0.37 0.52 0.00 -1.26 -4.71 105.19 100.92 2wh5 n GLY 56 Ca 0.12 -1.98 0.15 0.00 0.00 0.00 0.00 46.02 44.31 2wh5 n GLY 56 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2wh5 h PHE 57 N -0.48 0.87 -0.07 1.61 3.57 -2.02 -1.96 116.94 118.46 2wh5 h PHE 57 Ca -0.14 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2wh5 h PHE 57 Cb 0.50 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.97 2wh5 h PHE 57 CO 0.00 0.22 0.00 0.91 -2.23 0.00 0.00 178.31 177.21 2wh5 n TRP 58 N -4.65 0.12 -3.21 0.41 7.02 -1.26 -3.96 117.44 111.90 2wh5 n TRP 58 Ca 0.22 -0.05 -0.24 0.00 -1.02 0.00 0.00 57.50 56.40 2wh5 n TRP 58 Cb 0.61 -0.04 -0.07 0.00 -2.42 0.00 0.00 31.31 29.39 2wh5 n TRP 58 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 2wh5 n ASP 59 N -0.20 0.62 -0.32 -0.99 2.03 -0.74 -4.98 116.55 111.98 2wh5 n ASP 59 Ca 0.02 -2.79 -0.02 0.00 0.52 0.00 0.00 54.79 52.52 2wh5 n ASP 59 Cb 0.13 -0.64 0.10 0.00 -0.72 0.00 0.00 41.12 39.99 2wh5 n ASP 59 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2wh5 h PRO 60 N 3.97 1.09 -0.30 -0.67 0.11 -1.76 -0.47 132.00 133.97 2wh5 h PRO 60 Ca 0.09 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 2wh5 h PRO 60 Cb 0.86 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 2wh5 h PRO 60 CO 0.51 0.72 0.02 0.82 -0.21 0.00 0.00 178.00 179.86 2wh5 h ILE 61 N 1.12 1.25 -0.65 4.15 2.04 -1.95 -0.83 117.51 122.64 2wh5 h ILE 61 Ca 0.34 -0.88 0.13 0.00 1.00 0.00 0.00 64.86 65.45 2wh5 h ILE 61 Cb -0.05 1.24 -0.10 0.00 -0.74 0.00 0.00 36.82 37.17 2wh5 h ILE 61 CO -0.10 0.28 0.13 1.23 0.00 0.00 0.00 178.15 179.69 2wh5 h GLY 62 N 0.32 0.84 1.00 5.37 0.00 -1.83 -0.54 103.07 108.22 2wh5 h GLY 62 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 2wh5 h GLY 62 CO 0.01 -0.16 0.36 3.21 0.00 0.00 0.00 176.54 179.96 2wh5 h ARG 63 N 0.24 0.86 -0.37 4.80 3.08 -0.58 -0.82 114.38 121.60 2wh5 h ARG 63 Ca 0.35 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 2wh5 h ARG 63 Cb 0.56 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 2wh5 h ARG 63 CO -0.46 0.64 0.17 1.88 -1.07 0.00 0.00 179.97 181.13 2wh5 h TYR 64 N 0.85 0.54 -0.50 3.04 0.05 -0.71 -0.93 116.97 119.31 2wh5 h TYR 64 Ca 0.22 -0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.99 2wh5 h TYR 64 Cb 0.01 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.56 2wh5 h TYR 64 CO -0.01 0.46 0.30 0.87 -1.05 0.00 0.00 178.16 178.73 2wh5 h LYS 65 N 0.46 0.59 -0.07 4.88 1.57 -0.91 -1.49 116.57 121.60 2wh5 h LYS 65 Ca 0.13 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2wh5 h LYS 65 Cb 0.13 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 2wh5 h LYS 65 CO -0.02 0.39 0.02 2.35 -0.57 0.00 0.00 179.45 181.63 2wh5 h TRP 66 N 0.61 0.11 -0.80 -1.35 7.01 -0.98 -1.62 115.95 118.92 2wh5 h TRP 66 Ca 0.19 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.26 2wh5 h TRP 66 Cb -0.00 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 26.96 2wh5 h TRP 66 CO -0.06 0.26 0.47 -0.44 -2.79 0.00 0.00 178.44 175.88 2wh5 h ASP 67 N -0.07 0.71 0.31 2.65 3.32 -1.00 0.51 116.42 122.84 2wh5 h ASP 67 Ca 0.02 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2wh5 h ASP 67 Cb 0.20 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 2wh5 h ASP 67 CO -0.00 0.43 -0.19 0.00 -1.72 0.00 0.00 179.24 177.76 2wh5 h ALA 68 N 1.41 -0.47 0.23 3.45 0.00 -1.00 -0.48 119.26 122.40 2wh5 h ALA 68 Ca 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2wh5 h ALA 68 Cb 0.25 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2wh5 h ALA 68 CO -0.20 -0.77 -0.11 2.35 0.00 0.00 0.00 179.25 180.51 2wh5 h TRP 69 N -0.48 -0.29 -0.29 0.00 7.01 -0.84 -2.14 115.95 118.92 2wh5 h TRP 69 Ca -0.03 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.04 2wh5 h TRP 69 Cb 0.40 0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 2wh5 h TRP 69 CO -0.09 -0.11 0.26 -0.97 -2.79 0.00 0.00 178.44 174.74 2wh5 h ASN 70 N -0.40 0.00 0.45 2.65 -1.24 0.05 -1.18 115.58 115.92 2wh5 h ASN 70 Ca -0.03 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.97 2wh5 h ASN 70 Cb 0.30 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.35 2wh5 h ASN 70 CO 0.05 0.00 -0.04 0.77 -1.29 0.00 0.00 177.43 176.92 2wh5 h SER 71 N 0.00 0.00 1.08 1.15 4.64 -0.37 -2.50 113.55 117.55 2wh5 h SER 71 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2wh5 h SER 71 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2wh5 h SER 71 CO -0.00 0.04 0.00 0.18 -0.87 0.00 0.00 176.83 176.18 2wh5 n LEU 72 N -3.27 0.46 0.00 5.97 4.77 -0.44 -4.98 117.00 119.50 2wh5 n LEU 72 Ca -0.01 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 2wh5 n LEU 72 Cb 0.20 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2wh5 n LEU 72 CO 0.26 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 2wh5 n GLY 73 N 0.95 3.69 1.84 -0.72 0.00 -0.94 -2.53 105.19 107.48 2wh5 n GLY 73 Ca 0.05 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 2wh5 n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wh5 n LYS 74 N 13.95 2.13 -1.63 1.61 4.76 -1.26 -4.50 118.16 133.22 2wh5 n LYS 74 Ca 0.00 -3.11 -0.48 0.00 -2.87 0.00 0.00 58.31 51.85 2wh5 n LYS 74 Cb 0.00 -2.05 -0.04 0.00 -1.84 0.00 0.00 35.03 31.10 2wh5 n LYS 74 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 2wh5 n MET 75 N -1.13 1.62 -1.15 1.97 0.00 -1.05 -4.94 117.12 112.45 2wh5 n MET 75 Ca 0.50 0.58 -0.32 0.00 -0.00 0.00 0.00 57.70 58.46 2wh5 n MET 75 Cb 1.39 -2.23 0.11 0.00 0.00 0.00 0.00 33.22 32.50 2wh5 n MET 75 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2wh5 s SER 76 N 0.44 3.96 0.43 6.12 1.04 -1.26 -4.79 113.70 119.64 2wh5 s SER 76 Ca 0.76 2.07 0.12 0.00 0.48 0.00 0.00 55.95 59.39 2wh5 s SER 76 Cb -0.79 -2.55 0.94 0.00 0.10 0.00 0.00 66.02 63.72 2wh5 s SER 76 CO 0.46 -2.41 1.99 0.03 0.98 0.00 0.00 173.24 174.30 2wh5 h ARG 77 N -1.10 0.13 -0.07 4.02 3.08 -1.90 -1.26 114.38 117.28 2wh5 h ARG 77 Ca -0.44 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.47 2wh5 h ARG 77 Cb 1.26 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.29 2wh5 h ARG 77 CO 0.48 0.24 -0.39 0.93 -1.07 0.00 0.00 179.97 180.17 2wh5 h GLU 78 N 0.13 0.39 -0.37 0.04 3.07 -1.93 -1.79 114.58 114.11 2wh5 h GLU 78 Ca 0.03 -0.32 0.08 0.00 -0.50 0.00 0.00 59.36 58.65 2wh5 h GLU 78 Cb 0.27 0.07 -0.08 0.00 -0.84 0.00 0.00 28.75 28.17 2wh5 h GLU 78 CO 0.02 0.96 -0.20 1.49 -1.40 0.00 0.00 179.01 179.87 2wh5 h GLU 79 N -0.09 -0.14 -0.49 2.33 4.57 -1.77 -0.76 114.58 118.23 2wh5 h GLU 79 Ca -0.03 0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.03 2wh5 h GLU 79 Cb 1.04 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 2wh5 h GLU 79 CO 0.08 -0.09 -0.19 0.00 -1.18 0.00 0.00 179.01 177.62 2wh5 h ALA 80 N 1.08 0.69 -0.01 2.92 0.00 -1.29 -1.77 119.26 120.87 2wh5 h ALA 80 Ca 0.18 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.74 2wh5 h ALA 80 Cb 0.43 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2wh5 h ALA 80 CO -0.46 0.66 -0.35 0.52 0.00 0.00 0.00 179.25 179.63 2wh5 h MET 81 N 0.86 -0.47 0.00 0.00 2.86 -0.75 0.94 114.93 118.36 2wh5 h MET 81 Ca 0.12 0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 2wh5 h MET 81 Cb 0.77 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 2wh5 h MET 81 CO 0.06 -0.32 -0.18 0.66 1.06 0.00 0.00 176.91 178.20 2wh5 h SER 82 N -0.49 0.00 0.59 1.22 4.64 -1.06 -1.80 113.55 116.65 2wh5 h SER 82 Ca 0.06 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.19 2wh5 h SER 82 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2wh5 h SER 82 CO -0.29 0.18 -0.85 0.00 -0.87 0.00 0.00 176.83 175.00 2wh5 h ALA 83 N 1.82 0.55 0.03 5.18 0.00 -0.72 -0.94 119.26 125.18 2wh5 h ALA 83 Ca -0.00 -0.71 0.01 0.00 0.00 0.00 0.00 54.91 54.20 2wh5 h ALA 83 Cb 0.48 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2wh5 h ALA 83 CO 0.02 0.91 -0.07 -0.92 0.00 0.00 0.00 179.25 179.19 2wh5 h TYR 84 N 0.10 -0.18 -0.98 0.00 5.03 0.00 -0.19 116.97 120.76 2wh5 h TYR 84 Ca -0.04 0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.31 2wh5 h TYR 84 Cb 1.47 0.08 -0.06 0.00 1.55 0.00 0.00 36.73 39.77 2wh5 h TYR 84 CO 0.03 -0.11 0.64 0.82 -1.32 0.00 0.00 178.16 178.21 2wh5 h ILE 85 N -0.14 1.16 -0.18 1.81 2.04 -1.36 -1.04 117.51 119.81 2wh5 h ILE 85 Ca 0.02 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 2wh5 h ILE 85 Cb 0.16 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.05 2wh5 h ILE 85 CO -0.05 0.22 -0.20 0.74 0.00 0.00 0.00 178.15 178.86 2wh5 h THR 86 N 1.23 1.23 -0.07 -0.27 2.02 -0.61 -1.80 112.91 114.64 2wh5 h THR 86 Ca 0.39 -1.04 -0.16 0.00 0.77 0.00 0.00 66.41 66.37 2wh5 h THR 86 Cb 0.02 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2wh5 h THR 86 CO -0.13 0.32 -0.66 -0.08 0.37 0.00 0.00 175.52 175.34 2wh5 h GLU 87 N 0.28 0.29 -0.60 6.66 4.57 -0.08 -1.85 114.58 123.84 2wh5 h GLU 87 Ca 0.05 -0.22 -0.09 0.00 -1.18 0.00 0.00 59.36 57.92 2wh5 h GLU 87 Cb 0.52 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 2wh5 h GLU 87 CO 0.03 0.85 0.01 1.98 -1.18 0.00 0.00 179.01 180.70 2wh5 h MET 88 N 0.21 1.05 -0.33 1.92 4.05 -0.72 -1.15 114.93 119.96 2wh5 h MET 88 Ca -0.01 -0.33 -0.16 0.00 -0.28 0.00 0.00 59.70 58.92 2wh5 h MET 88 Cb 1.20 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.89 2wh5 h MET 88 CO 0.11 1.02 -0.42 0.87 0.23 0.00 0.00 176.91 178.72 2wh5 h LYS 89 N 0.96 0.83 -0.05 0.39 1.57 -1.15 0.76 116.57 119.87 2wh5 h LYS 89 Ca 0.17 -0.45 0.03 0.00 -1.87 0.00 0.00 60.65 58.53 2wh5 h LYS 89 Cb 0.55 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 2wh5 h LYS 89 CO 0.03 1.09 -0.11 1.25 -0.57 0.00 0.00 179.45 181.13 2wh5 h LEU 90 N 0.67 -0.33 -0.05 2.94 5.85 -1.03 0.15 115.31 123.51 2wh5 h LEU 90 Ca 0.05 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 2wh5 h LEU 90 Cb 1.00 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2wh5 h LEU 90 CO 0.10 -0.15 -0.19 0.58 -0.34 0.00 0.00 178.44 178.43 2wh5 h VAL 91 N -0.16 1.45 -0.93 1.05 2.07 -1.15 -2.84 116.25 115.74 2wh5 h VAL 91 Ca 0.06 -1.62 0.26 0.00 0.82 0.00 0.00 66.70 66.22 2wh5 h VAL 91 Cb 0.24 2.37 -0.14 0.00 -1.52 0.00 0.00 31.29 32.25 2wh5 h VAL 91 CO -0.15 0.45 0.38 0.00 0.02 0.00 0.00 177.57 178.27 2wh5 h ALA 92 N 0.42 1.54 -0.56 1.67 0.00 -0.74 0.59 119.26 122.17 2wh5 h ALA 92 Ca -0.01 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2wh5 h ALA 92 Cb 0.83 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2wh5 h ALA 92 CO 0.04 -0.48 0.22 0.37 0.00 0.00 0.00 179.25 179.40 2wh5 h GLN 93 N 0.28 0.80 -0.32 0.00 5.75 -0.53 -0.05 115.11 121.04 2wh5 h GLN 93 Ca 0.62 -0.12 -0.09 0.00 -0.15 0.00 0.00 58.65 58.91 2wh5 h GLN 93 Cb 1.30 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.70 2wh5 h GLN 93 CO -0.62 0.66 -0.14 0.87 -2.65 0.00 0.00 178.83 176.96 2wh5 h LYS 94 N 0.79 0.66 -0.60 1.69 1.57 0.35 -2.80 116.57 118.24 2wh5 h LYS 94 Ca 0.19 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2wh5 h LYS 94 Cb 0.16 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2wh5 h LYS 94 CO -0.02 0.86 0.26 0.28 -0.57 0.00 0.00 179.45 180.27 2wh5 h VAL 95 N 0.43 1.22 -0.27 0.50 2.07 -0.82 -2.31 116.25 117.06 2wh5 h VAL 95 Ca 0.07 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 66.98 2wh5 h VAL 95 Cb 0.66 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2wh5 h VAL 95 CO 0.04 0.26 0.19 0.40 0.02 0.00 0.00 177.57 178.48 2wh5 h ILE 96 N 0.82 0.96 -1.03 4.57 2.04 -0.89 -2.80 117.51 121.17 2wh5 h ILE 96 Ca 0.20 -0.06 -0.52 0.00 1.00 0.00 0.00 64.86 65.48 2wh5 h ILE 96 Cb 0.16 0.77 -0.20 0.00 -0.74 0.00 0.00 36.82 36.81 2wh5 h ILE 96 CO -0.02 0.03 0.57 0.47 0.00 0.00 0.00 178.15 179.20 2wh5 n ASP 97 N -4.49 6.81 0.00 1.72 8.00 -0.87 -5.11 116.55 122.62 2wh5 n ASP 97 Ca 0.02 -3.35 0.00 0.00 0.71 0.00 0.00 54.79 52.18 2wh5 n ASP 97 Cb 0.22 -1.12 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 2wh5 n ASP 97 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22