#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh6 n SER 2 N 0.00 -2.40 0.00 1.61 3.41 -1.26 -5.07 113.62 109.91 1wh6 n SER 2 Ca 0.00 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 1wh6 n SER 2 Cb 0.00 2.41 0.00 0.00 -0.26 0.00 0.00 64.21 66.36 1wh6 n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wh6 n SER 3 N -3.06 0.00 0.00 4.04 3.41 -1.26 -5.19 113.62 111.56 1wh6 n SER 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wh6 n SER 3 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1wh6 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wh6 n GLY 4 N 2.89 3.70 1.11 5.00 0.00 -1.26 -5.18 105.19 111.45 1wh6 n GLY 4 Ca 0.00 -1.77 -0.03 0.00 0.00 0.00 0.00 46.02 44.23 1wh6 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wh6 n SER 5 N 0.00 -0.65 -4.67 1.61 3.41 -1.26 -5.20 113.62 106.86 1wh6 n SER 5 Ca 0.00 -1.49 -0.29 0.00 -0.26 0.00 0.00 58.87 56.83 1wh6 n SER 5 Cb 0.00 1.10 -0.10 0.00 -0.26 0.00 0.00 64.21 64.95 1wh6 n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wh6 s SER 6 N -1.63 3.98 0.00 4.04 1.04 -1.26 -5.14 113.70 114.74 1wh6 s SER 6 Ca 0.05 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 55.04 1wh6 s SER 6 Cb -0.01 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1wh6 s SER 6 CO 0.04 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.29 1wh6 n GLY 7 N -1.07 0.65 3.61 7.32 0.00 -1.26 -5.18 105.19 109.26 1wh6 n GLY 7 Ca -0.09 0.60 -0.12 0.00 0.00 0.00 0.00 46.02 46.41 1wh6 n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wh6 s GLN 8 N 0.00 2.04 0.26 1.61 -2.07 -1.26 -4.98 119.66 115.26 1wh6 s GLN 8 Ca 0.00 -1.64 -0.08 0.00 -1.82 0.00 0.00 55.36 51.82 1wh6 s GLN 8 Cb 0.00 0.51 0.43 0.00 -1.09 0.00 0.00 33.01 32.86 1wh6 s GLN 8 CO 0.00 -0.89 1.58 0.10 -1.32 0.00 0.00 175.29 174.76 1wh6 h TYR 9 N 2.06 -0.42 -0.49 9.60 -0.00 -1.99 -1.73 116.97 124.01 1wh6 h TYR 9 Ca -0.30 0.08 0.08 0.00 -0.00 0.00 0.00 58.73 58.59 1wh6 h TYR 9 Cb 1.24 0.33 -0.06 0.00 -0.00 0.00 0.00 36.73 38.24 1wh6 h TYR 9 CO 1.45 -0.38 0.13 1.49 -0.00 0.00 0.00 178.16 180.85 1wh6 h GLU 10 N 0.01 0.28 -0.21 0.10 4.81 -2.00 -0.17 114.58 117.39 1wh6 h GLU 10 Ca 0.44 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.65 1wh6 h GLU 10 Cb 0.71 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1wh6 h GLU 10 CO -0.92 0.18 0.11 1.25 -0.73 0.00 0.00 179.01 178.91 1wh6 h LEU 11 N 0.29 0.27 -1.12 1.64 6.46 -1.73 -2.85 115.31 118.26 1wh6 h LEU 11 Ca 0.24 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1wh6 h LEU 11 Cb 0.29 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 1wh6 h LEU 11 CO -0.28 0.29 0.00 1.88 -0.62 0.00 0.00 178.44 179.71 1wh6 h TYR 12 N 0.22 0.00 -0.52 1.25 0.05 -1.12 -1.47 116.97 115.38 1wh6 h TYR 12 Ca 0.07 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.91 1wh6 h TYR 12 Cb 0.09 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 1wh6 h TYR 12 CO -0.03 0.00 0.35 0.52 -1.05 0.00 0.00 178.16 177.95 1wh6 h MET 13 N 0.00 0.47 0.00 4.88 2.86 -0.82 -3.26 114.93 119.07 1wh6 h MET 13 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1wh6 h MET 13 Cb 0.48 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1wh6 h MET 13 CO 0.00 0.31 -0.01 1.88 1.06 0.00 0.00 176.91 180.15 1wh6 h TYR 14 N 0.49 0.00 -3.43 -0.22 0.05 -1.40 -3.46 116.97 108.99 1wh6 h TYR 14 Ca 0.23 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 58.41 1wh6 h TYR 14 Cb 0.27 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 37.91 1wh6 h TYR 14 CO -0.00 0.00 -0.20 0.50 -1.05 0.00 0.00 178.16 177.41 1wh6 s ARG 15 N -1.08 4.21 1.14 4.88 3.00 -1.07 -5.05 118.95 124.97 1wh6 s ARG 15 Ca -0.00 0.23 -0.13 0.00 -1.00 0.00 0.00 55.73 54.82 1wh6 s ARG 15 Cb 0.00 -3.51 0.27 0.00 0.00 0.00 0.00 34.95 31.71 1wh6 s ARG 15 CO 0.01 0.02 1.04 -1.21 0.00 0.00 0.00 175.30 175.16 1wh6 s GLU 16 N 1.11 -0.76 0.22 5.12 8.01 -1.26 -4.38 118.70 126.77 1wh6 s GLU 16 Ca 0.20 0.66 0.10 0.00 0.01 0.00 0.00 54.97 55.93 1wh6 s GLU 16 Cb -0.15 -1.59 -0.05 0.00 -4.31 0.00 0.00 34.13 28.04 1wh6 s GLU 16 CO 0.08 -3.57 -0.18 0.54 0.01 0.00 0.00 175.26 172.14 1wh6 s VAL 17 N -2.61 2.08 -0.73 2.63 0.11 -1.26 -5.05 120.40 115.57 1wh6 s VAL 17 Ca 0.68 -2.21 -0.25 0.00 -2.93 0.00 0.00 61.98 57.27 1wh6 s VAL 17 Cb -0.22 -2.10 0.05 0.00 -1.53 0.00 0.00 36.38 32.57 1wh6 s VAL 17 CO 0.62 -0.42 1.18 -0.62 -3.33 0.00 0.00 175.10 172.53 1wh6 s ASP 18 N -3.19 6.18 0.58 3.54 -1.08 -1.26 -4.70 116.67 116.74 1wh6 s ASP 18 Ca 0.24 -0.69 0.34 0.00 -0.52 0.00 0.00 52.55 51.91 1wh6 s ASP 18 Cb -0.04 -2.51 1.75 0.00 -1.46 0.00 0.00 42.92 40.66 1wh6 s ASP 18 CO 0.10 -1.68 2.16 0.71 0.52 0.00 0.00 175.17 176.97 1wh6 h THR 19 N 6.04 0.29 0.09 1.71 1.35 -1.97 -0.08 112.91 120.34 1wh6 h THR 19 Ca -0.26 -0.33 -0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1wh6 h THR 19 Cb 1.05 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1wh6 h THR 19 CO 1.25 0.05 -0.04 -0.07 -0.25 0.00 0.00 175.52 176.46 1wh6 h LEU 20 N 0.00 -0.11 -1.83 3.87 -0.00 -1.90 -3.05 115.31 112.29 1wh6 h LEU 20 Ca -0.00 -0.27 0.10 0.00 -0.00 0.00 0.00 57.88 57.70 1wh6 h LEU 20 Cb 0.25 0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 40.91 1wh6 h LEU 20 CO 0.01 0.50 0.32 -0.08 -0.00 0.00 0.00 178.44 179.18 1wh6 h GLU 21 N -0.99 0.18 0.83 1.13 4.22 -1.94 -1.84 114.58 116.17 1wh6 h GLU 21 Ca -0.01 -0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.38 1wh6 h GLU 21 Cb 0.37 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.59 1wh6 h GLU 21 CO 0.02 0.12 -0.42 1.25 -2.18 0.00 0.00 179.01 177.80 1wh6 h LEU 22 N 0.19 -1.02 -1.49 1.64 5.85 -1.09 -1.54 115.31 117.84 1wh6 h LEU 22 Ca 0.21 0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.02 1wh6 h LEU 22 Cb 0.60 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 1wh6 h LEU 22 CO -0.03 -0.70 0.40 0.71 -0.34 0.00 0.00 178.44 178.47 1wh6 h THR 23 N -1.15 1.04 0.51 1.05 1.35 -1.24 -1.31 112.91 113.15 1wh6 h THR 23 Ca -0.11 -0.22 -0.02 0.00 -0.55 0.00 0.00 66.41 65.51 1wh6 h THR 23 Cb 0.89 0.34 -0.02 0.00 -1.73 0.00 0.00 68.15 67.63 1wh6 h THR 23 CO 0.17 0.12 -0.48 0.03 -0.25 0.00 0.00 175.52 175.10 1wh6 h ARG 24 N 0.64 -0.94 -0.99 4.72 3.08 -1.21 0.07 114.38 119.75 1wh6 h ARG 24 Ca 0.25 0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.39 1wh6 h ARG 24 Cb 0.18 0.21 -0.06 0.00 0.08 0.00 0.00 29.97 30.39 1wh6 h ARG 24 CO -0.07 -0.63 0.65 1.96 -1.07 0.00 0.00 179.97 180.81 1wh6 h GLN 25 N -0.98 1.24 0.59 0.04 4.20 -0.88 -2.22 115.11 117.10 1wh6 h GLN 25 Ca -0.06 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 1wh6 h GLN 25 Cb 0.84 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1wh6 h GLN 25 CO -0.05 0.82 -0.37 0.28 -0.67 0.00 0.00 178.83 178.84 1wh6 h VAL 26 N 1.28 0.25 -0.29 -0.54 2.07 -1.12 -0.89 116.25 117.00 1wh6 h VAL 26 Ca 0.38 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.97 1wh6 h VAL 26 Cb -0.04 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 29.89 1wh6 h VAL 26 CO -0.11 0.00 -0.34 0.11 0.02 0.00 0.00 177.57 177.25 1wh6 h LYS 27 N -0.91 -0.31 0.00 1.57 1.57 -0.72 -0.55 116.57 117.22 1wh6 h LYS 27 Ca -0.07 0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 1wh6 h LYS 27 Cb 0.74 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1wh6 h LYS 27 CO 0.07 -0.21 -0.52 0.93 -0.57 0.00 0.00 179.45 179.15 1wh6 h GLU 28 N -0.32 0.00 0.00 3.15 4.39 -1.29 0.80 114.58 121.30 1wh6 h GLU 28 Ca 0.14 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.67 1wh6 h GLU 28 Cb 0.55 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1wh6 h GLU 28 CO -0.47 0.52 -0.81 -0.22 -1.16 0.00 0.00 179.01 176.88 1wh6 h LYS 29 N 0.00 0.00 -0.03 2.33 3.64 -0.82 -2.02 116.57 119.67 1wh6 h LYS 29 Ca -0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1wh6 h LYS 29 Cb 0.94 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1wh6 h LYS 29 CO 0.07 0.81 0.00 -0.07 -2.27 0.00 0.00 179.45 177.99 1wh6 h LEU 30 N 0.00 0.04 -0.06 5.20 3.38 -0.72 -3.24 115.31 119.92 1wh6 h LEU 30 Ca -0.01 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.72 1wh6 h LEU 30 Cb 1.43 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 42.12 1wh6 h LEU 30 CO 0.10 0.32 -0.32 0.00 0.09 0.00 0.00 178.44 178.63 1wh6 h ALA 31 N 0.73 -0.42 -0.25 1.53 0.00 -0.78 0.21 119.26 120.27 1wh6 h ALA 31 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1wh6 h ALA 31 Cb 0.29 0.58 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 1wh6 h ALA 31 CO 0.00 -0.81 -0.36 -0.22 0.00 0.00 0.00 179.25 177.85 1wh6 h LYS 32 N -0.44 -0.35 0.00 0.00 3.64 -1.47 -0.22 116.57 117.73 1wh6 h LYS 32 Ca 0.08 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1wh6 h LYS 32 Cb 0.55 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1wh6 h LYS 32 CO -0.30 -0.23 0.00 0.09 -2.27 0.00 0.00 179.45 176.73 1wh6 n ASN 33 N -5.42 0.00 -0.64 4.20 4.13 -1.07 -4.80 115.26 111.67 1wh6 n ASN 33 Ca -0.02 -1.47 -0.08 0.00 1.68 0.00 0.00 54.58 54.69 1wh6 n ASN 33 Cb 0.34 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.55 1wh6 n ASN 33 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wh6 n GLY 34 N 0.67 0.81 3.67 7.41 0.00 -0.09 -4.99 105.19 112.66 1wh6 n GLY 34 Ca 0.11 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1wh6 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wh6 s ILE 35 N -2.30 4.87 0.05 -0.61 1.01 -0.01 -4.99 121.20 119.21 1wh6 s ILE 35 Ca 0.00 1.66 -0.30 0.00 0.00 0.00 0.00 60.65 62.00 1wh6 s ILE 35 Cb 0.00 -4.15 -0.08 0.00 0.01 0.00 0.00 42.46 38.24 1wh6 s ILE 35 CO 0.00 0.02 1.63 0.00 0.00 0.00 0.00 174.94 176.59 1wh6 h GLN 37 N 8.40 0.85 0.60 0.00 4.20 -1.95 -1.70 115.11 125.51 1wh6 h GLN 37 Ca -0.42 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.22 1wh6 h GLN 37 Cb 1.20 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1wh6 h GLN 37 CO 0.93 0.56 -0.46 -0.09 -0.67 0.00 0.00 178.83 179.11 1wh6 h ARG 38 N 0.88 -0.99 -0.61 1.46 2.43 -1.94 -0.18 114.38 115.43 1wh6 h ARG 38 Ca 0.46 0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.66 1wh6 h ARG 38 Cb 0.53 0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 1wh6 h ARG 38 CO -0.22 -0.66 0.24 0.82 -1.51 0.00 0.00 179.97 178.64 1wh6 h ILE 39 N -1.02 1.23 0.04 1.20 2.04 -1.85 -0.04 117.51 119.10 1wh6 h ILE 39 Ca -0.07 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.08 1wh6 h ILE 39 Cb 0.86 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 1wh6 h ILE 39 CO 0.02 0.28 -0.49 0.15 0.00 0.00 0.00 178.15 178.12 1wh6 h PHE 40 N 0.85 -1.40 -0.91 1.37 3.57 -1.25 0.13 116.94 119.30 1wh6 h PHE 40 Ca 0.20 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.83 1wh6 h PHE 40 Cb 0.21 0.61 -0.07 0.00 2.79 0.00 0.00 35.95 39.48 1wh6 h PHE 40 CO 0.01 -0.55 0.56 0.78 -2.23 0.00 0.00 178.31 176.88 1wh6 h GLY 41 N -0.66 1.41 1.02 2.40 0.00 -0.56 0.21 103.07 106.90 1wh6 h GLY 41 Ca 0.02 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 1wh6 h GLY 41 CO -0.32 0.21 0.02 0.83 0.00 0.00 0.00 176.54 177.29 1wh6 h GLU 42 N 0.96 0.92 0.00 4.80 5.08 -0.47 -0.05 114.58 125.82 1wh6 h GLU 42 Ca 0.42 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1wh6 h GLU 42 Cb 0.30 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1wh6 h GLU 42 CO -0.22 0.93 -1.08 1.63 -1.00 0.00 0.00 179.01 179.27 1wh6 n LYS 43 N -4.31 1.60 0.02 2.33 5.02 0.39 -3.79 118.16 119.42 1wh6 n LYS 43 Ca 0.02 -0.06 -0.01 0.00 -2.02 0.00 0.00 58.31 56.24 1wh6 n LYS 43 Cb 0.31 -1.23 -0.00 0.00 -0.02 0.00 0.00 35.03 34.09 1wh6 n LYS 43 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1wh6 n VAL 44 N -1.61 1.10 0.24 -0.18 0.31 0.67 -4.70 118.33 114.16 1wh6 n VAL 44 Ca 0.00 0.32 0.11 0.00 -0.01 0.00 0.00 64.34 64.77 1wh6 n VAL 44 Cb 0.28 -1.64 0.55 0.00 -0.91 0.00 0.00 33.84 32.12 1wh6 n VAL 44 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1wh6 h LEU 45 N -0.15 0.00 -1.40 7.52 3.38 -1.39 -3.47 115.31 119.80 1wh6 h LEU 45 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1wh6 h LEU 45 Cb 0.15 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.00 1wh6 h LEU 45 CO 0.00 0.19 -0.43 0.61 0.09 0.00 0.00 178.44 178.89 1wh6 n GLY 46 N -0.08 0.01 3.35 0.83 0.00 -0.12 -4.86 105.19 104.32 1wh6 n GLY 46 Ca -0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1wh6 n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wh6 s LEU 47 N -4.67 2.50 0.11 0.99 1.43 -0.66 -5.00 118.68 113.39 1wh6 s LEU 47 Ca 0.16 -0.95 -0.36 0.00 -1.03 0.00 0.00 54.13 51.96 1wh6 s LEU 47 Cb -0.07 -0.79 -0.16 0.00 0.03 0.00 0.00 46.19 45.20 1wh6 s LEU 47 CO 0.43 -0.09 1.33 -1.20 0.23 0.00 0.00 176.35 177.05 1wh6 n SER 48 N -0.08 1.71 -0.28 2.29 7.64 -1.26 -3.78 113.62 119.86 1wh6 n SER 48 Ca -0.10 1.12 0.19 0.00 1.01 0.00 0.00 58.87 61.09 1wh6 n SER 48 Cb 0.59 -1.22 0.49 0.00 -1.01 0.00 0.00 64.21 63.06 1wh6 n SER 48 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1wh6 h GLN 49 N 4.43 0.44 0.41 1.43 3.07 -1.92 -1.42 115.11 121.55 1wh6 h GLN 49 Ca -0.47 -0.03 -0.02 0.00 0.09 0.00 0.00 58.65 58.23 1wh6 h GLN 49 Cb 1.33 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 28.79 1wh6 h GLN 49 CO 0.77 0.29 -0.20 0.78 0.09 0.00 0.00 178.83 180.56 1wh6 h GLY 50 N 0.45 -0.58 0.70 0.06 0.00 -1.99 -2.49 103.07 99.23 1wh6 h GLY 50 Ca 0.51 0.21 0.02 0.00 0.00 0.00 0.00 47.33 48.08 1wh6 h GLY 50 CO -0.23 -0.21 -0.10 1.76 0.00 0.00 0.00 176.54 177.76 1wh6 h SER 51 N -0.62 -0.29 -0.65 0.19 0.02 -1.80 -3.07 113.55 107.33 1wh6 h SER 51 Ca -0.06 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1wh6 h SER 51 Cb 0.46 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 1wh6 h SER 51 CO 0.09 -0.14 0.37 1.62 -1.14 0.00 0.00 176.83 177.64 1wh6 h VAL 52 N -0.15 1.19 0.33 2.27 3.04 -1.23 -0.43 116.25 121.28 1wh6 h VAL 52 Ca 0.05 -0.47 -0.00 0.00 -1.01 0.00 0.00 66.70 65.27 1wh6 h VAL 52 Cb 0.22 0.29 -0.02 0.00 -2.01 0.00 0.00 31.29 29.77 1wh6 h VAL 52 CO -0.13 0.21 -0.30 -1.28 -1.01 0.00 0.00 177.57 175.06 1wh6 h SER 53 N 0.92 -0.81 -0.60 3.17 0.87 -1.41 -1.80 113.55 113.89 1wh6 h SER 53 Ca 0.24 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 1wh6 h SER 53 Cb 0.00 0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 1wh6 h SER 53 CO -0.04 -0.44 0.34 -0.78 -0.53 0.00 0.00 176.83 175.38 1wh6 h ASP 54 N -0.66 0.75 0.32 6.23 3.58 -1.30 -0.84 116.42 124.51 1wh6 h ASP 54 Ca -0.02 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 1wh6 h ASP 54 Cb 0.59 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1wh6 h ASP 54 CO -0.04 0.61 -0.15 -0.03 -2.88 0.00 0.00 179.24 176.74 1wh6 h MET 55 N 0.86 -0.41 0.00 0.28 4.05 -0.83 0.36 114.93 119.24 1wh6 h MET 55 Ca 0.22 0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.60 1wh6 h MET 55 Cb 0.02 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 1wh6 h MET 55 CO -0.04 -0.21 -0.31 -0.07 0.23 0.00 0.00 176.91 176.51 1wh6 h LEU 56 N -0.52 0.00 0.23 3.39 3.38 -1.08 -2.03 115.31 118.68 1wh6 h LEU 56 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1wh6 h LEU 56 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1wh6 h LEU 56 CO 0.07 0.31 -0.11 0.28 0.09 0.00 0.00 178.44 179.08 1wh6 h SER 57 N 0.00 -0.26 -1.78 -0.43 0.02 -0.95 -3.43 113.55 106.71 1wh6 h SER 57 Ca -0.00 -0.22 -0.45 0.00 -0.84 0.00 0.00 61.79 60.28 1wh6 h SER 57 Cb 0.59 0.07 -0.31 0.00 0.14 0.00 0.00 62.40 62.89 1wh6 h SER 57 CO 0.04 0.10 -0.84 -2.11 -1.14 0.00 0.00 176.83 172.88 1wh6 n ARG 58 N -5.07 0.40 -1.19 3.45 1.85 0.10 -5.09 116.66 111.11 1wh6 n ARG 58 Ca -0.09 -2.79 -0.31 0.00 -1.00 0.00 0.00 57.85 53.66 1wh6 n ARG 58 Cb 0.25 -1.53 0.10 0.00 -1.05 0.00 0.00 32.46 30.23 1wh6 n ARG 58 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1wh6 s PRO 59 N 0.10 2.04 0.29 2.89 0.04 -0.77 -4.67 135.00 134.92 1wh6 s PRO 59 Ca 0.33 1.29 0.03 0.00 0.04 0.00 0.00 61.00 62.69 1wh6 s PRO 59 Cb 0.07 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 1wh6 s PRO 59 CO -0.15 -1.82 0.45 0.15 0.04 0.00 0.00 177.00 175.66 1wh6 s LYS 60 N -4.74 3.43 0.70 4.56 1.02 -1.26 -4.93 119.74 118.53 1wh6 s LYS 60 Ca 0.63 -0.60 -0.15 0.00 0.02 0.00 0.00 55.97 55.87 1wh6 s LYS 60 Cb -0.19 -2.79 0.02 0.00 -0.52 0.00 0.00 37.83 34.36 1wh6 s LYS 60 CO 0.55 0.28 1.19 -1.25 -0.92 0.00 0.00 175.35 175.21 1wh6 s PRO 61 N -4.14 2.33 0.27 -1.68 0.04 -1.26 -4.76 135.00 125.80 1wh6 s PRO 61 Ca 0.37 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 63.11 1wh6 s PRO 61 Cb -0.09 -1.86 0.40 0.00 0.04 0.00 0.00 34.50 32.99 1wh6 s PRO 61 CO 0.32 -1.68 1.90 2.35 0.04 0.00 0.00 177.00 179.92 1wh6 h TRP 62 N -0.11 1.19 -0.56 0.56 2.91 -1.94 -1.08 115.95 116.93 1wh6 h TRP 62 Ca -0.48 0.03 0.04 0.00 1.13 0.00 0.00 58.89 59.61 1wh6 h TRP 62 Cb 1.29 -0.39 -0.03 0.00 -0.51 0.00 0.00 29.16 29.51 1wh6 h TRP 62 CO 0.48 0.64 0.37 0.77 -1.03 0.00 0.00 178.44 179.67 1wh6 h SER 63 N 1.19 0.53 0.00 2.65 0.02 -1.96 -2.50 113.55 113.48 1wh6 h SER 63 Ca 0.42 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 1wh6 h SER 63 Cb 0.11 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1wh6 h SER 63 CO -0.15 0.36 0.00 0.29 -1.14 0.00 0.00 176.83 176.18 1wh6 n LYS 64 N -4.47 0.80 -4.81 3.45 4.76 -0.41 -4.69 118.16 112.80 1wh6 n LYS 64 Ca 0.07 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.20 1wh6 n LYS 64 Cb 0.17 -1.46 -0.14 0.00 -1.84 0.00 0.00 35.03 31.77 1wh6 n LYS 64 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1wh6 s LEU 65 N -1.92 2.46 0.75 -0.35 1.43 -0.94 -5.00 118.68 115.12 1wh6 s LEU 65 Ca 0.35 -0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 52.97 1wh6 s LEU 65 Cb 0.16 -1.45 0.13 0.00 0.03 0.00 0.00 46.19 45.06 1wh6 s LEU 65 CO 0.27 0.27 1.04 0.42 0.23 0.00 0.00 176.35 178.59 1wh6 s THR 66 N -0.85 2.15 0.25 5.49 -4.23 -1.26 -4.84 115.64 112.35 1wh6 s THR 66 Ca 0.13 -0.46 -0.05 0.00 -1.18 0.00 0.00 61.69 60.13 1wh6 s THR 66 Cb -0.10 -2.69 0.27 0.00 1.34 0.00 0.00 72.50 71.32 1wh6 s THR 66 CO 0.03 0.00 1.65 -0.61 -0.54 0.00 0.00 174.62 175.15 1wh6 h GLN 67 N -0.71 0.16 -0.99 3.99 4.15 -1.97 0.17 115.11 119.91 1wh6 h GLN 67 Ca -0.39 -0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.13 1wh6 h GLN 67 Cb 1.27 -0.04 -0.08 0.00 0.21 0.00 0.00 27.48 28.84 1wh6 h GLN 67 CO 0.42 0.10 0.62 -0.22 -1.93 0.00 0.00 178.83 177.83 1wh6 h LYS 68 N 0.16 1.00 0.00 1.69 3.11 -2.01 -1.00 116.57 119.51 1wh6 h LYS 68 Ca 0.43 -0.06 -0.09 0.00 -2.81 0.00 0.00 60.65 58.12 1wh6 h LYS 68 Cb 0.78 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.77 1wh6 h LYS 68 CO -0.62 0.66 -0.44 0.78 -2.81 0.00 0.00 179.45 177.02 1wh6 h GLY 69 N 1.03 0.00 1.53 5.01 0.00 -1.12 -3.24 103.07 106.27 1wh6 h GLY 69 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1wh6 h GLY 69 CO -0.24 0.00 -0.44 3.21 0.00 0.00 0.00 176.54 179.07 1wh6 h ARG 70 N 0.00 0.00 -0.91 4.80 3.08 0.31 -3.40 114.38 118.26 1wh6 h ARG 70 Ca -0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.14 1wh6 h ARG 70 Cb 1.05 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.98 1wh6 h ARG 70 CO 0.06 0.00 -0.49 0.39 -1.07 0.00 0.00 179.97 178.86 1wh6 n GLU 71 N -2.73 -0.35 0.07 0.04 -0.58 -0.60 -0.49 120.64 115.99 1wh6 n GLU 71 Ca 0.03 1.38 -0.07 0.00 -0.42 0.00 0.00 57.16 58.08 1wh6 n GLU 71 Cb 0.51 -2.04 0.08 0.00 -0.57 0.00 0.00 31.44 29.43 1wh6 n GLU 71 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1wh6 h PRO 72 N 0.00 0.30 -0.86 3.49 0.13 -1.84 -2.58 132.00 130.64 1wh6 h PRO 72 Ca 0.19 -0.22 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 1wh6 h PRO 72 Cb 0.42 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.55 1wh6 h PRO 72 CO -0.87 0.85 0.46 0.74 -0.23 0.00 0.00 178.00 178.95 1wh6 h PHE 73 N 0.22 1.19 -0.16 1.56 0.04 -1.40 0.67 116.94 119.06 1wh6 h PHE 73 Ca -0.01 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.75 1wh6 h PHE 73 Cb 1.19 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 38.93 1wh6 h PHE 73 CO 0.03 0.84 0.01 0.82 -0.60 0.00 0.00 178.31 179.40 1wh6 h ILE 74 N 1.20 0.89 -0.86 -0.55 2.04 -0.68 -0.55 117.51 119.01 1wh6 h ILE 74 Ca 0.30 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.14 1wh6 h ILE 74 Cb 0.05 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 1wh6 h ILE 74 CO -0.05 0.01 0.54 0.03 0.00 0.00 0.00 178.15 178.69 1wh6 h ARG 75 N 0.06 1.15 -0.75 2.37 3.08 -1.03 0.40 114.38 119.66 1wh6 h ARG 75 Ca 0.08 -0.09 0.05 0.00 0.07 0.00 0.00 59.98 60.09 1wh6 h ARG 75 Cb 0.09 -0.25 -0.05 0.00 0.08 0.00 0.00 29.97 29.83 1wh6 h ARG 75 CO -0.12 0.78 0.46 1.98 -1.07 0.00 0.00 179.97 182.00 1wh6 h MET 76 N 1.18 0.83 0.15 0.04 4.05 -0.35 -0.02 114.93 120.81 1wh6 h MET 76 Ca 0.31 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.68 1wh6 h MET 76 Cb -0.09 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.52 1wh6 h MET 76 CO -0.06 0.55 -0.07 1.96 0.23 0.00 0.00 176.91 179.51 1wh6 h GLN 77 N 0.85 -0.20 0.30 0.39 4.20 -0.15 -3.08 115.11 117.43 1wh6 h GLN 77 Ca 0.32 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1wh6 h GLN 77 Cb 0.13 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 1wh6 h GLN 77 CO -0.16 0.08 -0.40 -0.07 -0.67 0.00 0.00 178.83 177.61 1wh6 h LEU 78 N -0.46 -1.10 -1.34 1.46 3.38 -0.81 -2.66 115.31 113.78 1wh6 h LEU 78 Ca -0.02 0.10 0.29 0.00 0.09 0.00 0.00 57.88 58.35 1wh6 h LEU 78 Cb 0.36 0.39 -0.10 0.00 0.09 0.00 0.00 40.66 41.40 1wh6 h LEU 78 CO 0.03 -0.52 0.69 -0.25 0.09 0.00 0.00 178.44 178.48 1wh6 h TRP 79 N -0.75 0.67 -0.73 1.13 7.01 -1.02 0.49 115.95 122.75 1wh6 h TRP 79 Ca -0.01 0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.10 1wh6 h TRP 79 Cb 0.70 -0.19 -0.07 0.00 -2.10 0.00 0.00 29.16 27.50 1wh6 h TRP 79 CO -0.26 0.01 0.37 -0.07 -2.79 0.00 0.00 178.44 175.70 1wh6 h LEU 80 N 0.35 0.49 0.00 0.65 3.38 -1.38 -1.98 115.31 116.83 1wh6 h LEU 80 Ca 0.64 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.60 1wh6 h LEU 80 Cb 1.66 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 1wh6 h LEU 80 CO -0.34 0.28 -1.05 -0.24 0.09 0.00 0.00 178.44 177.19 1wh6 n SER 81 N -4.85 1.90 0.24 -0.43 2.88 -0.01 -4.73 113.62 108.61 1wh6 n SER 81 Ca 0.12 0.43 0.16 0.00 -1.33 0.00 0.00 58.87 58.24 1wh6 n SER 81 Cb 0.28 -0.80 0.85 0.00 -0.75 0.00 0.00 64.21 63.78 1wh6 n SER 81 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1wh6 h ASP 82 N -1.00 0.00 0.00 -3.46 3.58 -0.18 -3.46 116.42 111.90 1wh6 h ASP 82 Ca -0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1wh6 h ASP 82 Cb 0.94 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1wh6 h ASP 82 CO -0.06 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.30 1wh6 n GLN 83 N -3.88 0.00 -3.95 0.28 6.02 -0.74 -3.65 117.38 111.45 1wh6 n GLN 83 Ca -0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.60 1wh6 n GLN 83 Cb 0.23 -3.37 0.02 0.00 1.02 0.00 0.00 30.24 28.13 1wh6 n GLN 83 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wh6 n LEU 84 N 0.00 -1.36 -2.39 1.08 4.32 -1.26 -4.81 117.00 112.58 1wh6 n LEU 84 Ca 0.00 -1.18 -0.23 0.00 -0.02 0.00 0.00 56.01 54.59 1wh6 n LEU 84 Cb 0.00 -1.94 -0.09 0.00 -1.62 0.00 0.00 43.42 39.77 1wh6 n LEU 84 CO 0.00 0.64 1.69 0.61 -1.22 0.00 0.00 177.39 179.11 1wh6 n GLY 85 N -1.98 3.91 0.13 -0.72 0.00 -1.24 -4.70 105.19 100.59 1wh6 n GLY 85 Ca -0.14 -1.65 -0.05 0.00 0.00 0.00 0.00 46.02 44.18 1wh6 n GLY 85 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1wh6 h GLN 86 N 3.14 -0.32 -0.40 1.61 3.07 -1.94 -3.44 115.11 116.83 1wh6 h GLN 86 Ca 0.35 0.02 -0.14 0.00 0.09 0.00 0.00 58.65 58.97 1wh6 h GLN 86 Cb 0.97 0.07 -0.15 0.00 0.08 0.00 0.00 27.48 28.45 1wh6 h GLN 86 CO 0.70 -0.21 -0.38 0.00 0.09 0.00 0.00 178.83 179.03 1wh6 n ALA 87 N -2.19 -2.21 -2.48 0.06 0.00 -1.26 -5.11 120.51 107.32 1wh6 n ALA 87 Ca -0.04 -0.91 -0.43 0.00 0.00 0.00 0.00 53.44 52.06 1wh6 n ALA 87 Cb 0.13 -1.92 -0.02 0.00 0.00 0.00 0.00 19.45 17.64 1wh6 n ALA 87 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wh6 s VAL 88 N 0.73 4.29 -0.22 0.00 1.01 -1.26 -4.92 120.40 120.02 1wh6 s VAL 88 Ca 0.29 1.49 0.01 0.00 0.00 0.00 0.00 61.98 63.78 1wh6 s VAL 88 Cb 0.13 -4.18 0.28 0.00 0.00 0.00 0.00 36.38 32.60 1wh6 s VAL 88 CO -0.13 -0.37 1.52 0.61 0.00 0.00 0.00 175.10 176.73 1wh6 n GLY 89 N 3.98 3.27 3.28 4.51 0.00 -1.26 -4.90 105.19 114.08 1wh6 n GLY 89 Ca 0.14 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 1wh6 n GLY 89 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wh6 s GLN 90 N -1.50 1.27 -0.06 1.61 -0.21 -1.26 -5.18 119.66 114.33 1wh6 s GLN 90 Ca 0.26 -1.54 0.03 0.00 0.02 0.00 0.00 55.36 54.12 1wh6 s GLN 90 Cb 0.21 0.31 0.01 0.00 1.00 0.00 0.00 33.01 34.55 1wh6 s GLN 90 CO 0.04 -0.44 -0.13 -0.65 -2.12 0.00 0.00 175.29 171.99 1wh6 s GLN 91 N -4.13 1.66 -1.19 2.91 -0.21 -1.26 -5.07 119.66 112.37 1wh6 s GLN 91 Ca 0.35 -0.43 -0.21 0.00 0.02 0.00 0.00 55.36 55.10 1wh6 s GLN 91 Cb 0.05 -1.39 0.03 0.00 1.00 0.00 0.00 33.01 32.70 1wh6 s GLN 91 CO 0.11 0.06 1.73 -1.25 -2.12 0.00 0.00 175.29 173.82 1wh6 s PRO 92 N 0.55 3.49 0.73 2.91 0.04 -1.26 -4.97 135.00 136.49 1wh6 s PRO 92 Ca -0.13 -1.51 -0.15 0.00 0.04 0.00 0.00 61.00 59.25 1wh6 s PRO 92 Cb -0.15 -5.41 0.04 0.00 0.04 0.00 0.00 34.50 29.02 1wh6 s PRO 92 CO 0.03 -2.68 1.21 0.20 0.04 0.00 0.00 177.00 175.80 1wh6 s GLY 93 N 5.14 2.37 -0.02 0.56 0.00 -1.26 -4.47 107.32 109.65 1wh6 s GLY 93 Ca 0.56 0.90 -0.01 0.00 0.00 0.00 0.00 44.72 46.17 1wh6 s GLY 93 CO 0.05 1.31 0.02 0.00 0.00 0.00 0.00 173.10 174.47 1wh6 n ALA 94 N -2.68 -1.15 -1.79 3.20 0.00 -1.26 -4.76 120.51 112.07 1wh6 n ALA 94 Ca 0.14 0.01 -0.26 0.00 0.00 0.00 0.00 53.44 53.33 1wh6 n ALA 94 Cb 0.50 -0.13 -0.08 0.00 0.00 0.00 0.00 19.45 19.74 1wh6 n ALA 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wh6 n SER 95 N 1.32 2.45 -3.84 0.00 2.88 -1.26 -4.95 113.62 110.21 1wh6 n SER 95 Ca -0.00 -2.63 -0.30 0.00 -1.33 0.00 0.00 58.87 54.61 1wh6 n SER 95 Cb 0.08 -1.64 0.22 0.00 -0.75 0.00 0.00 64.21 62.12 1wh6 n SER 95 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wh6 s SER 96 N 6.98 1.82 0.11 -3.46 0.01 -1.26 -5.13 113.70 112.77 1wh6 s SER 96 Ca 0.71 0.35 -0.26 0.00 1.31 0.00 0.00 55.95 58.07 1wh6 s SER 96 Cb -0.00 -0.42 0.08 0.00 0.21 0.00 0.00 66.02 65.90 1wh6 s SER 96 CO 0.16 -3.54 1.08 -0.83 0.41 0.00 0.00 173.24 170.51 1wh6 s GLY 97 N -4.48 -0.23 0.75 3.44 0.00 -1.26 -4.94 107.32 100.59 1wh6 s GLY 97 Ca 0.74 0.21 -0.12 0.00 0.00 0.00 0.00 44.72 45.55 1wh6 s GLY 97 CO 0.55 0.55 1.11 2.56 0.00 0.00 0.00 173.10 177.87 1wh6 s PRO 98 N -2.84 2.30 0.00 2.90 0.04 -1.26 -5.09 135.00 131.06 1wh6 s PRO 98 Ca 0.15 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1wh6 s PRO 98 Cb 0.00 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1wh6 s PRO 98 CO 0.01 -1.62 0.00 0.45 0.04 0.00 0.00 177.00 175.87 1wh6 n SER 99 N -3.19 0.00 -4.70 6.66 2.88 -1.26 -5.08 113.62 108.94 1wh6 n SER 99 Ca 0.10 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.29 1wh6 n SER 99 Cb 0.52 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.09 1wh6 n SER 99 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wh6 n SER 100 N 0.00 1.32 0.00 -3.46 3.41 -1.26 -5.23 113.62 108.41 1wh6 n SER 100 Ca 0.00 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1wh6 n SER 100 Cb 0.00 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.44 1wh6 n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49