#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 -2.73 -4.68 1.61 7.64 -1.26 -4.93 113.62 109.28 1wh6 n SER 2 Ca 0.00 -0.71 -0.43 0.00 1.01 0.00 0.00 58.87 58.74 1wh6 n SER 2 Cb 0.00 -4.78 -0.01 0.00 -1.01 0.00 0.00 64.21 58.40 1wh6 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wh6 n SER 3 N -3.11 2.59 -4.55 6.43 2.88 -1.26 -5.00 113.62 111.60 1wh6 n SER 3 Ca -0.25 1.19 -0.28 0.00 -1.33 0.00 0.00 58.87 58.20 1wh6 n SER 3 Cb 0.66 -1.45 0.23 0.00 -0.75 0.00 0.00 64.21 62.90 1wh6 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wh6 s GLY 4 N -0.19 1.55 -0.13 0.46 0.00 -1.26 -5.07 107.32 102.67 1wh6 s GLY 4 Ca 0.59 -0.24 -0.04 0.00 0.00 0.00 0.00 44.72 45.02 1wh6 s GLY 4 CO 0.59 0.46 0.25 -0.45 0.00 0.00 0.00 173.10 173.95 1wh6 s SER 5 N -2.84 0.50 -0.03 1.64 0.15 -1.26 -5.08 113.70 106.78 1wh6 s SER 5 Ca 0.67 0.48 -0.01 0.00 0.70 0.00 0.00 55.95 57.79 1wh6 s SER 5 Cb -0.23 0.63 -0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1wh6 s SER 5 CO 0.62 -0.25 -0.01 0.77 1.20 0.00 0.00 173.24 175.57 1wh6 h SER 6 N 8.30 0.00 0.00 5.45 4.64 -2.07 -3.50 113.55 126.37 1wh6 h SER 6 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1wh6 h SER 6 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1wh6 h SER 6 CO 0.15 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 1wh6 n GLY 7 N 1.87 0.72 3.42 -0.77 0.00 -1.26 -5.17 105.19 104.00 1wh6 n GLY 7 Ca -0.01 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 1wh6 n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wh6 s GLN 8 N -1.08 1.58 0.45 1.61 -0.21 -1.26 -5.05 119.66 115.70 1wh6 s GLN 8 Ca 0.00 -1.87 0.24 0.00 0.02 0.00 0.00 55.36 53.76 1wh6 s GLN 8 Cb 0.00 -0.75 1.26 0.00 1.00 0.00 0.00 33.01 34.51 1wh6 s GLN 8 CO 0.00 -0.19 1.78 0.10 -2.12 0.00 0.00 175.29 174.86 1wh6 h TYR 9 N 2.19 0.44 0.00 0.91 -0.00 -2.00 -2.88 116.97 115.63 1wh6 h TYR 9 Ca -0.40 0.02 -0.05 0.00 -0.00 0.00 0.00 58.73 58.29 1wh6 h TYR 9 Cb 1.24 -0.13 -0.01 0.00 -0.00 0.00 0.00 36.73 37.84 1wh6 h TYR 9 CO 0.56 0.03 -0.25 1.49 -0.00 0.00 0.00 178.16 180.00 1wh6 h GLU 10 N 0.26 0.00 -0.54 0.10 4.81 -2.00 -0.84 114.58 116.37 1wh6 h GLU 10 Ca 0.58 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.90 1wh6 h GLU 10 Cb 1.75 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 31.06 1wh6 h GLU 10 CO -0.20 0.25 0.16 1.25 -0.73 0.00 0.00 179.01 179.74 1wh6 h LEU 11 N 0.00 0.13 -0.04 1.64 7.12 -1.94 -1.70 115.31 120.51 1wh6 h LEU 11 Ca -0.00 0.08 0.00 0.00 0.13 0.00 0.00 57.88 58.09 1wh6 h LEU 11 Cb 0.59 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.80 1wh6 h LEU 11 CO 0.03 0.09 -0.01 -1.22 -0.13 0.00 0.00 178.44 177.21 1wh6 n TYR 12 N -5.04 0.00 0.49 1.25 4.01 -0.35 -2.83 117.16 114.69 1wh6 n TYR 12 Ca 0.07 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.93 1wh6 n TYR 12 Cb 0.24 -0.10 0.45 0.00 -0.31 0.00 0.00 39.34 39.63 1wh6 n TYR 12 CO 0.00 0.00 0.00 0.52 -0.46 0.00 0.00 176.86 176.92 1wh6 h MET 13 N 0.11 0.00 0.00 -0.72 2.86 -0.96 -3.38 114.93 112.84 1wh6 h MET 13 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1wh6 h MET 13 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1wh6 h MET 13 CO 0.00 0.00 -0.46 0.66 1.06 0.00 0.00 176.91 178.17 1wh6 n TYR 14 N -2.31 0.00 -1.54 -0.22 4.01 -1.18 -5.08 117.16 110.83 1wh6 n TYR 14 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1wh6 n TYR 14 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 1wh6 n TYR 14 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1wh6 n ARG 15 N -1.06 0.28 -4.30 -0.72 0.00 -1.13 -5.14 116.66 104.61 1wh6 n ARG 15 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.69 1wh6 n ARG 15 Cb 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.53 1wh6 n ARG 15 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1wh6 s GLU 16 N -2.70 1.22 0.05 -0.14 8.01 -1.26 -4.89 118.70 118.98 1wh6 s GLU 16 Ca 0.00 -1.57 0.00 0.00 0.01 0.00 0.00 54.97 53.41 1wh6 s GLU 16 Cb 0.00 -0.67 -0.03 0.00 -4.31 0.00 0.00 34.13 29.12 1wh6 s GLU 16 CO 0.00 0.00 -0.04 0.54 0.01 0.00 0.00 175.26 175.77 1wh6 s VAL 17 N -3.34 0.29 -0.66 2.63 0.11 -1.26 -5.07 120.40 113.10 1wh6 s VAL 17 Ca 0.23 -1.50 -0.21 0.00 -2.93 0.00 0.00 61.98 57.57 1wh6 s VAL 17 Cb 0.04 -1.09 0.08 0.00 -1.53 0.00 0.00 36.38 33.88 1wh6 s VAL 17 CO 0.05 -0.77 0.91 -1.81 -3.33 0.00 0.00 175.10 170.14 1wh6 s ASP 18 N -2.38 6.21 0.51 3.54 1.01 -1.26 -4.61 116.67 119.69 1wh6 s ASP 18 Ca -0.01 -1.20 0.16 0.00 0.71 0.00 0.00 52.55 52.22 1wh6 s ASP 18 Cb 0.01 -2.39 1.23 0.00 1.01 0.00 0.00 42.92 42.78 1wh6 s ASP 18 CO -0.06 -1.32 2.12 0.71 0.21 0.00 0.00 175.17 176.83 1wh6 h THR 19 N 5.95 1.01 0.86 -1.27 1.35 -1.97 -0.46 112.91 118.37 1wh6 h THR 19 Ca -0.25 -0.16 -0.04 0.00 -0.55 0.00 0.00 66.41 65.41 1wh6 h THR 19 Cb 1.07 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1wh6 h THR 19 CO 1.15 0.04 -0.49 -0.07 -0.25 0.00 0.00 175.52 175.91 1wh6 h LEU 20 N 0.00 -1.20 -1.32 3.87 -0.00 -1.91 -1.47 115.31 113.27 1wh6 h LEU 20 Ca -0.00 0.06 0.01 0.00 -0.00 0.00 0.00 57.88 57.95 1wh6 h LEU 20 Cb 0.08 0.34 -0.03 0.00 -0.00 0.00 0.00 40.66 41.05 1wh6 h LEU 20 CO 0.01 -0.77 0.46 -0.08 -0.00 0.00 0.00 178.44 178.05 1wh6 h GLU 21 N -1.25 0.91 0.55 1.13 4.57 -1.81 0.04 114.58 118.73 1wh6 h GLU 21 Ca -0.12 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 57.99 1wh6 h GLU 21 Cb 0.99 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 1wh6 h GLU 21 CO 0.15 0.60 -0.48 1.25 -1.18 0.00 0.00 179.01 179.35 1wh6 h LEU 22 N 0.94 -1.30 -1.27 1.64 5.85 -1.09 -0.01 115.31 120.06 1wh6 h LEU 22 Ca 0.25 0.10 0.05 0.00 0.84 0.00 0.00 57.88 59.12 1wh6 h LEU 22 Cb -0.11 0.42 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 1wh6 h LEU 22 CO -0.06 -0.66 0.52 0.71 -0.34 0.00 0.00 178.44 178.61 1wh6 h THR 23 N -1.02 1.09 0.44 1.05 1.35 -0.40 -0.73 112.91 114.69 1wh6 h THR 23 Ca -0.07 -0.31 -0.01 0.00 -0.55 0.00 0.00 66.41 65.46 1wh6 h THR 23 Cb 0.86 0.09 -0.03 0.00 -1.73 0.00 0.00 68.15 67.35 1wh6 h THR 23 CO -0.02 0.17 -0.51 0.03 -0.25 0.00 0.00 175.52 174.93 1wh6 h ARG 24 N 0.92 -0.94 -0.70 4.72 3.08 -0.82 0.63 114.38 121.27 1wh6 h ARG 24 Ca 0.33 0.06 0.10 0.00 0.07 0.00 0.00 59.98 60.54 1wh6 h ARG 24 Cb 0.13 0.21 -0.07 0.00 0.08 0.00 0.00 29.97 30.32 1wh6 h ARG 24 CO -0.10 -0.62 0.34 1.96 -1.07 0.00 0.00 179.97 180.47 1wh6 h GLN 25 N -0.97 0.55 0.54 0.04 1.08 -0.61 -1.15 115.11 114.59 1wh6 h GLN 25 Ca -0.05 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.09 1wh6 h GLN 25 Cb 0.86 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1wh6 h GLN 25 CO -0.10 0.36 -0.33 0.28 -0.95 0.00 0.00 178.83 178.09 1wh6 h VAL 26 N 0.56 0.33 -0.68 -0.54 2.07 -0.96 -0.78 116.25 116.26 1wh6 h VAL 26 Ca 0.35 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.94 1wh6 h VAL 26 Cb 0.39 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 1wh6 h VAL 26 CO -0.28 0.00 0.37 0.11 0.02 0.00 0.00 177.57 177.78 1wh6 h LYS 27 N -0.82 0.64 0.23 1.57 1.57 -0.53 -0.24 116.57 118.99 1wh6 h LYS 27 Ca -0.06 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1wh6 h LYS 27 Cb 0.67 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1wh6 h LYS 27 CO 0.07 0.42 -0.17 0.93 -0.57 0.00 0.00 179.45 180.13 1wh6 h GLU 28 N 0.66 -0.40 -0.53 3.15 4.39 -1.07 0.00 114.58 120.78 1wh6 h GLU 28 Ca 0.31 0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.96 1wh6 h GLU 28 Cb 0.24 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1wh6 h GLU 28 CO -0.21 -0.26 -0.00 -0.22 -1.16 0.00 0.00 179.01 177.16 1wh6 h LYS 29 N -0.41 0.91 -0.03 2.33 3.64 -0.73 0.98 116.57 123.26 1wh6 h LYS 29 Ca -0.01 -0.27 0.02 0.00 -1.27 0.00 0.00 60.65 59.12 1wh6 h LYS 29 Cb 0.36 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1wh6 h LYS 29 CO -0.01 0.91 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.94 1wh6 h LEU 30 N 0.84 -0.19 -1.99 5.20 3.38 -0.96 -2.03 115.31 119.56 1wh6 h LEU 30 Ca 0.16 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1wh6 h LEU 30 Cb 0.50 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1wh6 h LEU 30 CO 0.02 -0.09 -0.10 0.00 0.09 0.00 0.00 178.44 178.36 1wh6 h ALA 31 N 0.92 1.43 0.00 1.53 0.00 -0.45 -0.91 119.26 121.78 1wh6 h ALA 31 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wh6 h ALA 31 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1wh6 h ALA 31 CO -0.09 0.13 0.00 -0.22 0.00 0.00 0.00 179.25 179.07 1wh6 h LYS 32 N 0.00 0.00 -0.01 0.00 3.64 -0.09 -3.22 116.57 116.89 1wh6 h LYS 32 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1wh6 h LYS 32 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1wh6 h LYS 32 CO 0.01 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.28 1wh6 n ASN 33 N -2.95 1.59 -2.89 4.20 4.13 -0.71 -5.01 115.26 113.62 1wh6 n ASN 33 Ca 0.02 -1.54 -0.22 0.00 1.68 0.00 0.00 54.58 54.51 1wh6 n ASN 33 Cb 0.34 -0.01 0.03 0.00 -1.54 0.00 0.00 39.78 38.60 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 -0.22 -0.49 3.63 7.41 0.00 -0.44 -4.95 105.19 110.13 1wh6 n GLY 34 Ca 0.01 0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.16 5.03 0.08 -0.61 1.01 -0.65 -5.02 121.20 117.88 1wh6 s ILE 35 Ca 0.28 1.01 -0.30 0.00 0.00 0.00 0.00 60.65 61.64 1wh6 s ILE 35 Cb -0.12 -3.88 -0.10 0.00 0.01 0.00 0.00 42.46 38.37 1wh6 s ILE 35 CO 0.34 0.07 1.89 0.00 0.00 0.00 0.00 174.94 177.24 1wh6 h GLN 37 N 9.56 0.39 -0.79 0.00 4.20 -1.97 -1.89 115.11 124.60 1wh6 h GLN 37 Ca -0.48 -0.02 0.12 0.00 0.06 0.00 0.00 58.65 58.33 1wh6 h GLN 37 Cb 1.23 -0.09 -0.13 0.00 0.30 0.00 0.00 27.48 28.79 1wh6 h GLN 37 CO 0.94 0.26 -0.42 0.07 -0.67 0.00 0.00 178.83 179.01 1wh6 h ARG 38 N 0.40 -0.10 0.05 1.46 0.11 -1.91 -0.96 114.38 113.43 1wh6 h ARG 38 Ca 0.16 0.01 -0.23 0.00 0.10 0.00 0.00 59.98 60.01 1wh6 h ARG 38 Cb 0.05 0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.15 1wh6 h ARG 38 CO -0.10 -0.07 -1.04 0.82 0.10 0.00 0.00 179.97 179.68 1wh6 h ILE 39 N -0.10 1.49 -0.19 0.08 2.04 -1.89 -1.89 117.51 117.04 1wh6 h ILE 39 Ca 0.25 -2.80 0.05 0.00 1.00 0.00 0.00 64.86 63.35 1wh6 h ILE 39 Cb 0.55 2.66 -0.05 0.00 -0.74 0.00 0.00 36.82 39.24 1wh6 h ILE 39 CO -0.83 0.82 -0.16 0.15 0.00 0.00 0.00 178.15 178.13 1wh6 h PHE 40 N 0.12 -0.41 0.03 1.37 3.57 -0.84 0.44 116.94 121.22 1wh6 h PHE 40 Ca -0.08 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.47 1wh6 h PHE 40 Cb 1.72 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 40.64 1wh6 h PHE 40 CO 0.05 -0.23 -0.20 0.78 -2.23 0.00 0.00 178.31 176.47 1wh6 h GLY 41 N -0.17 -0.31 0.31 2.40 0.00 -0.96 0.16 103.07 104.50 1wh6 h GLY 41 Ca 0.12 0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 1wh6 h GLY 41 CO -0.29 -0.18 -0.49 0.83 0.00 0.00 0.00 176.54 176.40 1wh6 h GLU 42 N -0.34 -0.82 -0.08 4.80 4.39 -1.20 -0.71 114.58 120.61 1wh6 h GLU 42 Ca 0.05 0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.66 1wh6 h GLU 42 Cb 0.40 0.19 0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1wh6 h GLU 42 CO -0.17 -0.55 -0.51 0.87 -1.16 0.00 0.00 179.01 177.50 1wh6 h LYS 43 N -0.85 0.48 0.00 2.33 1.79 -0.81 -2.53 116.57 116.99 1wh6 h LYS 43 Ca -0.04 -0.42 -0.29 0.00 -2.18 0.00 0.00 60.65 57.73 1wh6 h LYS 43 Cb 0.78 0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 31.47 1wh6 h LYS 43 CO -0.16 1.05 -2.25 0.28 -1.08 0.00 0.00 179.45 177.29 1wh6 n VAL 44 N -4.24 1.10 0.24 0.50 0.31 0.57 -4.42 118.33 112.38 1wh6 n VAL 44 Ca -0.08 -0.75 0.07 0.00 -0.01 0.00 0.00 64.34 63.57 1wh6 n VAL 44 Cb 0.61 -0.41 -0.11 0.00 -0.91 0.00 0.00 33.84 33.02 1wh6 n VAL 44 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1wh6 n LEU 45 N -2.63 0.24 0.00 7.52 4.77 -0.65 -4.92 117.00 121.34 1wh6 n LEU 45 Ca -0.27 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1wh6 n LEU 45 Cb 1.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 1wh6 n LEU 45 CO 0.41 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1wh6 n GLY 46 N 1.53 1.48 3.88 -0.72 0.00 -0.37 -4.82 105.19 106.19 1wh6 n GLY 46 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 3.66 0.84 0.99 1.43 -0.87 -4.85 118.68 119.88 1wh6 s LEU 47 Ca 0.00 1.15 -0.12 0.00 -1.03 0.00 0.00 54.13 54.13 1wh6 s LEU 47 Cb 0.00 -4.08 0.10 0.00 0.03 0.00 0.00 46.19 42.23 1wh6 s LEU 47 CO 0.00 -0.54 1.10 -0.55 0.23 0.00 0.00 176.35 176.59 1wh6 s SER 48 N -3.59 4.07 0.36 2.29 0.15 -1.26 -3.00 113.70 112.71 1wh6 s SER 48 Ca 0.51 1.33 0.17 0.00 0.70 0.00 0.00 55.95 58.66 1wh6 s SER 48 Cb -0.10 -2.03 0.62 0.00 -1.71 0.00 0.00 66.02 62.79 1wh6 s SER 48 CO 0.39 -2.24 1.71 -0.61 1.20 0.00 0.00 173.24 173.69 1wh6 h GLN 49 N -1.28 0.00 0.00 5.44 4.15 -1.97 -2.72 115.11 118.74 1wh6 h GLN 49 Ca -0.48 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.94 1wh6 h GLN 49 Cb 1.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.97 1wh6 h GLN 49 CO 0.58 0.42 -0.01 0.78 -1.93 0.00 0.00 178.83 178.67 1wh6 h GLY 50 N 2.01 0.01 -0.44 2.39 0.00 -1.98 -3.25 103.07 101.82 1wh6 h GLY 50 Ca -0.00 -0.01 0.05 0.00 0.00 0.00 0.00 47.33 47.36 1wh6 h GLY 50 CO 0.05 0.01 -0.45 1.76 0.00 0.00 0.00 176.54 177.91 1wh6 h SER 51 N -0.81 -1.55 0.23 0.19 0.02 -1.90 -0.37 113.55 109.36 1wh6 h SER 51 Ca -0.00 0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1wh6 h SER 51 Cb 0.83 0.65 -0.01 0.00 0.14 0.00 0.00 62.40 64.01 1wh6 h SER 51 CO 0.00 -0.29 -0.23 1.62 -1.14 0.00 0.00 176.83 176.79 1wh6 h VAL 52 N -0.24 1.17 0.09 2.27 3.04 -1.66 -0.80 116.25 120.13 1wh6 h VAL 52 Ca 0.07 -0.82 -0.00 0.00 -1.01 0.00 0.00 66.70 64.94 1wh6 h VAL 52 Cb 0.44 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 1wh6 h VAL 52 CO -0.54 0.23 -0.04 -1.28 -1.01 0.00 0.00 177.57 174.93 1wh6 h SER 53 N 0.01 -0.11 -0.93 3.17 0.87 -1.33 -0.24 113.55 115.00 1wh6 h SER 53 Ca -0.00 -0.35 0.12 0.00 -1.23 0.00 0.00 61.79 60.33 1wh6 h SER 53 Cb 0.42 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.33 1wh6 h SER 53 CO 0.03 0.31 0.60 -0.78 -0.53 0.00 0.00 176.83 176.46 1wh6 h ASP 54 N -0.55 0.80 0.15 6.23 3.58 -0.79 0.47 116.42 126.30 1wh6 h ASP 54 Ca -0.01 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1wh6 h ASP 54 Cb 0.45 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1wh6 h ASP 54 CO 0.02 0.43 -0.08 -0.03 -2.88 0.00 0.00 179.24 176.70 1wh6 h MET 55 N 0.86 -0.20 0.00 0.28 4.05 -1.01 0.99 114.93 119.90 1wh6 h MET 55 Ca 0.46 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.85 1wh6 h MET 55 Cb 0.54 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.38 1wh6 h MET 55 CO -0.22 -0.13 -0.19 -0.07 0.23 0.00 0.00 176.91 176.53 1wh6 h LEU 56 N -0.20 0.00 0.01 3.39 3.38 -0.82 -1.01 115.31 120.05 1wh6 h LEU 56 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1wh6 h LEU 56 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1wh6 h LEU 56 CO 0.03 0.19 -0.01 -1.28 0.09 0.00 0.00 178.44 177.46 1wh6 h SER 57 N 0.00 -0.02 -2.37 -0.43 0.87 -0.96 -3.43 113.55 107.21 1wh6 h SER 57 Ca -0.00 -0.76 -0.59 0.00 -1.23 0.00 0.00 61.79 59.21 1wh6 h SER 57 Cb 0.38 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 61.96 1wh6 h SER 57 CO 0.02 0.78 -0.94 0.54 -0.53 0.00 0.00 176.83 176.70 1wh6 n ARG 58 N -4.71 0.59 -0.86 2.24 1.74 0.34 -5.08 116.66 110.92 1wh6 n ARG 58 Ca -0.09 -3.40 -0.30 0.00 -0.77 0.00 0.00 57.85 53.29 1wh6 n ARG 58 Cb 0.38 -1.68 0.18 0.00 -1.02 0.00 0.00 32.46 30.31 1wh6 n ARG 58 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1wh6 s PRO 59 N -0.48 0.64 0.12 5.56 0.02 -0.40 -4.53 135.00 135.93 1wh6 s PRO 59 Ca 0.33 1.09 0.03 0.00 0.02 0.00 0.00 61.00 62.47 1wh6 s PRO 59 Cb 0.06 -1.72 -0.04 0.00 0.02 0.00 0.00 34.50 32.83 1wh6 s PRO 59 CO -0.17 -2.74 0.16 0.15 -0.33 0.00 0.00 177.00 174.07 1wh6 s LYS 60 N -4.71 3.09 0.56 5.54 -0.14 -1.26 -5.00 119.74 117.82 1wh6 s LYS 60 Ca 0.66 -0.70 -0.20 0.00 -1.36 0.00 0.00 55.97 54.36 1wh6 s LYS 60 Cb -0.21 -2.79 -0.04 0.00 -1.68 0.00 0.00 37.83 33.10 1wh6 s LYS 60 CO 0.59 0.53 1.26 -1.25 -0.76 0.00 0.00 175.35 175.73 1wh6 s PRO 61 N -2.85 3.13 0.42 -1.68 0.04 -1.26 -4.77 135.00 128.04 1wh6 s PRO 61 Ca 0.32 1.98 0.17 0.00 0.04 0.00 0.00 61.00 63.51 1wh6 s PRO 61 Cb -0.11 -2.12 1.06 0.00 0.04 0.00 0.00 34.50 33.37 1wh6 s PRO 61 CO 0.25 -1.12 1.88 2.35 0.04 0.00 0.00 177.00 180.40 1wh6 h TRP 62 N 1.27 0.52 -0.57 0.56 2.91 -1.90 0.26 115.95 118.99 1wh6 h TRP 62 Ca -0.50 0.02 0.05 0.00 1.13 0.00 0.00 58.89 59.58 1wh6 h TRP 62 Cb 1.29 -0.16 -0.05 0.00 -0.51 0.00 0.00 29.16 29.73 1wh6 h TRP 62 CO 0.47 0.17 0.30 0.77 -1.03 0.00 0.00 178.44 179.12 1wh6 h SER 63 N 0.42 0.43 1.26 2.65 0.02 -1.94 -2.89 113.55 113.51 1wh6 h SER 63 Ca 0.43 0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 61.31 1wh6 h SER 63 Cb 1.02 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 1wh6 h SER 63 CO -0.15 0.29 -0.48 0.11 -1.14 0.00 0.00 176.83 175.45 1wh6 h LYS 64 N 0.57 0.00 -6.43 3.45 1.79 -1.33 -3.43 116.57 111.19 1wh6 h LYS 64 Ca 0.26 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 58.19 1wh6 h LYS 64 Cb 0.16 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1wh6 h LYS 64 CO -0.17 0.48 0.40 -0.51 -1.08 0.00 0.00 179.45 178.57 1wh6 s LEU 65 N -6.65 4.37 0.00 2.94 1.43 -0.76 -5.00 118.68 115.01 1wh6 s LEU 65 Ca 0.03 1.71 -0.07 0.00 -1.03 0.00 0.00 54.13 54.77 1wh6 s LEU 65 Cb 0.09 -3.57 0.18 0.00 0.03 0.00 0.00 46.19 42.91 1wh6 s LEU 65 CO 0.73 -0.28 1.14 0.35 0.23 0.00 0.00 176.35 178.52 1wh6 n THR 66 N 3.86 0.00 -0.21 5.49 -2.24 -1.26 -4.81 114.28 115.10 1wh6 n THR 66 Ca 0.06 -1.35 -0.00 0.00 -2.27 0.00 0.00 64.05 60.49 1wh6 n THR 66 Cb 0.50 -1.14 0.07 0.00 -2.10 0.00 0.00 70.33 67.67 1wh6 n THR 66 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1wh6 h GLN 67 N 0.00 0.02 -0.28 -0.78 4.15 -1.97 0.15 115.11 116.40 1wh6 h GLN 67 Ca -0.37 -0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.11 1wh6 h GLN 67 Cb 1.22 -0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.83 1wh6 h GLN 67 CO 0.34 0.01 -0.26 -0.22 -1.93 0.00 0.00 178.83 176.77 1wh6 h LYS 68 N 0.02 -0.24 0.00 1.69 1.63 -2.02 -1.82 116.57 115.82 1wh6 h LYS 68 Ca 0.31 0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 60.07 1wh6 h LYS 68 Cb 0.48 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 1wh6 h LYS 68 CO -0.63 -0.16 -0.27 0.78 -3.45 0.00 0.00 179.45 175.71 1wh6 h GLY 69 N -0.25 0.00 2.00 5.01 0.00 -1.56 -3.08 103.07 105.19 1wh6 h GLY 69 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.40 1wh6 h GLY 69 CO -0.43 0.00 -0.38 3.21 0.00 0.00 0.00 176.54 178.94 1wh6 h ARG 70 N 0.00 0.00 -0.53 4.80 3.08 -0.15 -3.38 114.38 118.19 1wh6 h ARG 70 Ca -0.00 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.15 1wh6 h ARG 70 Cb 0.70 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.65 1wh6 h ARG 70 CO 0.04 0.38 -0.07 0.93 -1.07 0.00 0.00 179.97 180.18 1wh6 h GLU 71 N 0.00 0.05 -0.36 0.04 5.08 -1.40 0.22 114.58 118.21 1wh6 h GLU 71 Ca -0.00 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 1wh6 h GLU 71 Cb 1.14 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1wh6 h GLU 71 CO 0.05 0.03 -0.40 -1.00 -1.00 0.00 0.00 179.01 176.69 1wh6 h PRO 72 N 0.05 0.88 -0.38 2.33 0.13 -1.82 -2.27 132.00 130.93 1wh6 h PRO 72 Ca 0.26 -0.47 0.03 0.00 -0.87 0.00 0.00 66.00 64.96 1wh6 h PRO 72 Cb 0.41 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 1wh6 h PRO 72 CO -0.50 1.12 0.26 0.74 -0.23 0.00 0.00 178.00 179.38 1wh6 h PHE 73 N 0.72 0.38 -0.24 1.56 0.04 -1.43 -0.44 116.94 117.53 1wh6 h PHE 73 Ca 0.05 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 1wh6 h PHE 73 Cb 0.99 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 39.00 1wh6 h PHE 73 CO 0.06 0.22 -0.01 0.82 -0.60 0.00 0.00 178.31 178.80 1wh6 h ILE 74 N 0.39 1.26 -0.98 -0.55 2.04 -0.34 -1.29 117.51 118.04 1wh6 h ILE 74 Ca 0.16 -0.92 0.05 0.00 1.00 0.00 0.00 64.86 65.14 1wh6 h ILE 74 Cb 0.14 1.39 -0.06 0.00 -0.74 0.00 0.00 36.82 37.55 1wh6 h ILE 74 CO -0.04 0.29 0.63 0.03 0.00 0.00 0.00 178.15 179.06 1wh6 h ARG 75 N 0.19 1.17 -0.36 2.37 3.08 -0.83 0.27 114.38 120.27 1wh6 h ARG 75 Ca 0.07 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1wh6 h ARG 75 Cb 0.42 -0.26 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 1wh6 h ARG 75 CO 0.01 0.77 0.08 1.98 -1.07 0.00 0.00 179.97 181.74 1wh6 h MET 76 N 1.20 0.20 -0.64 0.04 4.05 -0.89 -0.54 114.93 118.34 1wh6 h MET 76 Ca 0.40 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.76 1wh6 h MET 76 Cb 0.06 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.79 1wh6 h MET 76 CO -0.14 0.13 0.20 1.96 0.23 0.00 0.00 176.91 179.28 1wh6 h GLN 77 N 0.20 1.01 0.67 0.39 4.20 -0.07 -3.04 115.11 118.47 1wh6 h GLN 77 Ca 0.17 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 1wh6 h GLN 77 Cb 0.19 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 27.84 1wh6 h GLN 77 CO -0.22 0.89 -0.32 -0.07 -0.67 0.00 0.00 178.83 178.43 1wh6 h LEU 78 N 0.93 -0.76 -1.56 1.46 3.38 -0.79 -3.22 115.31 114.75 1wh6 h LEU 78 Ca 0.21 0.00 0.35 0.00 0.09 0.00 0.00 57.88 58.53 1wh6 h LEU 78 Cb 0.30 0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.16 1wh6 h LEU 78 CO -0.01 -0.39 0.81 -0.25 0.09 0.00 0.00 178.44 178.70 1wh6 h TRP 79 N -1.18 0.42 -0.69 1.13 7.01 -1.10 0.34 115.95 121.89 1wh6 h TRP 79 Ca -0.09 0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.05 1wh6 h TRP 79 Cb 0.71 -0.12 -0.09 0.00 -2.10 0.00 0.00 29.16 27.56 1wh6 h TRP 79 CO 0.00 -0.04 0.22 -0.07 -2.79 0.00 0.00 178.44 175.76 1wh6 h LEU 80 N 0.19 0.14 0.02 0.65 3.38 -1.54 -1.49 115.31 116.65 1wh6 h LEU 80 Ca 0.67 0.11 -0.37 0.00 0.09 0.00 0.00 57.88 58.39 1wh6 h LEU 80 Cb 2.13 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 42.95 1wh6 h LEU 80 CO -0.25 0.05 -2.08 -1.20 0.09 0.00 0.00 178.44 175.06 1wh6 n SER 81 N -5.07 1.96 0.22 -0.43 7.64 -0.01 -4.71 113.62 113.22 1wh6 n SER 81 Ca 0.12 0.27 0.06 0.00 1.01 0.00 0.00 58.87 60.33 1wh6 n SER 81 Cb 0.38 -0.80 0.52 0.00 -1.01 0.00 0.00 64.21 63.29 1wh6 n SER 81 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1wh6 h ASP 82 N -0.68 0.00 0.00 6.43 1.82 -0.39 -3.47 116.42 120.13 1wh6 h ASP 82 Ca -0.54 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.10 1wh6 h ASP 82 Cb 1.63 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.64 1wh6 h ASP 82 CO -0.24 0.20 0.00 0.00 -1.61 0.00 0.00 179.24 177.59 1wh6 n GLN 83 N -4.20 0.00 -3.81 0.28 6.02 -0.57 -3.85 117.38 111.25 1wh6 n GLN 83 Ca -0.02 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.67 1wh6 n GLN 83 Cb 0.26 -3.58 0.01 0.00 1.02 0.00 0.00 30.24 27.95 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 -1.12 0.15 1.08 4.32 -1.26 -4.94 117.00 115.23 1wh6 n LEU 84 Ca 0.00 -0.99 0.12 0.00 -0.02 0.00 0.00 56.01 55.12 1wh6 n LEU 84 Cb 0.00 -1.44 0.15 0.00 -1.62 0.00 0.00 43.42 40.51 1wh6 n LEU 84 CO 0.00 0.50 0.54 1.23 -1.22 0.00 0.00 177.39 178.44 1wh6 h GLY 85 N -0.81 0.00 0.02 -0.72 0.00 -2.00 -3.39 103.07 96.17 1wh6 h GLY 85 Ca -0.61 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 1wh6 h GLY 85 CO 0.38 0.00 -0.01 -1.61 0.00 0.00 0.00 176.54 175.30 1wh6 h GLN 86 N 0.00 -0.03 -2.65 4.80 4.15 -1.92 -3.50 115.11 115.96 1wh6 h GLN 86 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.54 1wh6 h GLN 86 Cb 0.94 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.59 1wh6 h GLN 86 CO 0.00 -0.02 0.40 0.00 -1.93 0.00 0.00 178.83 177.29 1wh6 s ALA 87 N -3.02 -1.38 0.00 3.38 0.00 -1.26 -5.09 121.76 114.39 1wh6 s ALA 87 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1wh6 s ALA 87 Cb 0.00 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1wh6 s ALA 87 CO 0.01 -1.04 0.31 1.55 0.00 0.00 0.00 175.76 176.60 1wh6 n VAL 88 N -0.52 0.00 -3.45 0.00 3.14 -1.26 -4.87 118.33 111.37 1wh6 n VAL 88 Ca -0.05 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.14 1wh6 n VAL 88 Cb 0.60 1.01 0.07 0.00 -1.06 0.00 0.00 33.84 34.46 1wh6 n VAL 88 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1wh6 n GLY 89 N 0.00 -0.68 2.90 7.55 0.00 -1.26 -4.99 105.19 108.71 1wh6 n GLY 89 Ca 0.00 0.31 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 1wh6 n GLY 89 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wh6 s GLN 90 N -5.22 0.34 0.20 1.61 -0.44 -1.26 -5.07 119.66 109.82 1wh6 s GLN 90 Ca 0.20 0.49 -0.30 0.00 -2.50 0.00 0.00 55.36 53.25 1wh6 s GLN 90 Cb -0.04 -0.52 -0.08 0.00 -1.64 0.00 0.00 33.01 30.74 1wh6 s GLN 90 CO 0.76 -0.67 1.13 -1.14 0.50 0.00 0.00 175.29 175.88 1wh6 s GLN 91 N 2.53 4.56 0.22 1.67 0.74 -1.26 -5.01 119.66 123.12 1wh6 s GLN 91 Ca 0.12 1.79 -0.30 0.00 0.05 0.00 0.00 55.36 57.02 1wh6 s GLN 91 Cb -0.15 -3.25 -0.09 0.00 1.10 0.00 0.00 33.01 30.61 1wh6 s GLN 91 CO -0.16 0.04 1.36 -1.25 -0.55 0.00 0.00 175.29 174.73 1wh6 s PRO 92 N -0.50 4.34 0.00 1.67 0.04 -1.26 -4.87 135.00 134.42 1wh6 s PRO 92 Ca 0.50 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.70 1wh6 s PRO 92 Cb -0.31 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1wh6 s PRO 92 CO 0.37 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.49 1wh6 n GLY 93 N 2.29 -0.76 2.28 0.56 0.00 -1.26 -5.16 105.19 103.14 1wh6 n GLY 93 Ca 0.06 -1.33 -0.02 0.00 0.00 0.00 0.00 46.02 44.73 1wh6 n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wh6 n ALA 94 N -0.19 -2.80 -3.67 4.61 0.00 -1.26 -5.10 120.51 112.10 1wh6 n ALA 94 Ca 0.00 1.17 -0.10 0.00 0.00 0.00 0.00 53.44 54.51 1wh6 n ALA 94 Cb 0.00 -2.54 -0.11 0.00 0.00 0.00 0.00 19.45 16.81 1wh6 n ALA 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wh6 s SER 95 N -0.54 -0.25 -0.06 0.00 0.15 -1.26 -5.02 113.70 106.72 1wh6 s SER 95 Ca -0.11 0.88 0.02 0.00 0.70 0.00 0.00 55.95 57.45 1wh6 s SER 95 Cb 0.01 1.03 -0.05 0.00 -1.71 0.00 0.00 66.02 65.29 1wh6 s SER 95 CO 0.30 -0.22 -0.02 -1.20 1.20 0.00 0.00 173.24 173.30 1wh6 n SER 96 N 4.97 3.58 -3.52 5.45 7.64 -1.26 -5.07 113.62 125.42 1wh6 n SER 96 Ca -0.14 -0.02 -0.24 0.00 1.01 0.00 0.00 58.87 59.49 1wh6 n SER 96 Cb 0.51 0.24 0.05 0.00 -1.01 0.00 0.00 64.21 64.01 1wh6 n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh6 n GLY 97 N 2.94 -0.97 3.77 0.23 0.00 -1.26 -4.94 105.19 104.96 1wh6 n GLY 97 Ca -0.10 0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.99 1wh6 n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh6 s PRO 98 N -5.37 4.18 0.12 1.61 0.04 -1.26 -5.05 135.00 129.28 1wh6 s PRO 98 Ca 0.41 1.97 -0.22 0.00 0.04 0.00 0.00 61.00 63.20 1wh6 s PRO 98 Cb -0.11 -2.84 0.06 0.00 0.04 0.00 0.00 34.50 31.65 1wh6 s PRO 98 CO 0.81 -0.25 0.55 -1.12 0.04 0.00 0.00 177.00 177.03 1wh6 s SER 99 N -0.89 -0.48 0.00 6.66 0.01 -1.26 -5.14 113.70 112.59 1wh6 s SER 99 Ca 0.54 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.81 1wh6 s SER 99 Cb -0.34 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1wh6 s SER 99 CO 0.44 -0.88 0.00 -1.20 0.41 0.00 0.00 173.24 172.01 1wh6 n SER 100 N -0.12 0.00 0.00 2.44 7.64 -1.26 -5.31 113.62 117.01 1wh6 n SER 100 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1wh6 n SER 100 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1wh6 n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64