#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh6 s SER 2 N 0.00 7.06 -0.11 1.61 0.15 -1.26 -4.98 113.70 116.17 1wh6 s SER 2 Ca 0.00 2.33 -0.29 0.00 0.70 0.00 0.00 55.95 58.69 1wh6 s SER 2 Cb 0.00 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1wh6 s SER 2 CO 0.00 -0.30 1.45 -0.94 1.20 0.00 0.00 173.24 174.66 1wh6 s SER 3 N -0.89 6.81 1.03 5.45 1.04 -1.26 -5.03 113.70 120.84 1wh6 s SER 3 Ca 0.48 1.97 -0.16 0.00 0.48 0.00 0.00 55.95 58.71 1wh6 s SER 3 Cb -0.32 -2.54 0.21 0.00 0.10 0.00 0.00 66.02 63.47 1wh6 s SER 3 CO 0.42 -0.84 1.19 -0.83 0.98 0.00 0.00 173.24 174.16 1wh6 s GLY 4 N 2.63 1.65 -0.46 7.32 0.00 -1.26 -5.07 107.32 112.13 1wh6 s GLY 4 Ca 0.64 -0.91 0.05 0.00 0.00 0.00 0.00 44.72 44.50 1wh6 s GLY 4 CO 0.22 -0.16 0.99 1.44 0.00 0.00 0.00 173.10 175.58 1wh6 n SER 5 N -4.11 -2.54 -2.23 1.64 7.64 -1.26 -5.16 113.62 107.60 1wh6 n SER 5 Ca 0.12 -3.06 0.00 0.00 1.01 0.00 0.00 58.87 56.93 1wh6 n SER 5 Cb 0.59 1.65 0.00 0.00 -1.01 0.00 0.00 64.21 65.44 1wh6 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wh6 n SER 6 N 1.46 0.00 0.00 6.43 7.64 -1.26 -5.11 113.62 122.78 1wh6 n SER 6 Ca 0.07 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.21 1wh6 n SER 6 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1wh6 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh6 n GLY 7 N 5.00 0.49 3.88 0.23 0.00 -1.26 -5.13 105.19 108.41 1wh6 n GLY 7 Ca 0.00 0.58 -0.28 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 2.24 0.46 1.61 1.11 -1.26 -4.98 119.66 118.83 1wh6 s GLN 8 Ca 0.00 -2.12 0.17 0.00 0.01 0.00 0.00 55.36 53.43 1wh6 s GLN 8 Cb 0.00 -1.97 1.13 0.00 -1.01 0.00 0.00 33.01 31.16 1wh6 s GLN 8 CO 0.00 -0.59 1.96 0.10 0.01 0.00 0.00 175.29 176.77 1wh6 h TYR 9 N 0.85 0.35 0.00 0.91 -0.00 -1.97 -0.47 116.97 116.64 1wh6 h TYR 9 Ca -0.38 0.01 -0.00 0.00 -0.00 0.00 0.00 58.73 58.36 1wh6 h TYR 9 Cb 1.31 -0.11 -0.00 0.00 -0.00 0.00 0.00 36.73 37.93 1wh6 h TYR 9 CO 1.12 0.14 -0.02 1.05 -0.00 0.00 0.00 178.16 180.46 1wh6 h GLU 10 N 0.31 0.00 0.40 0.10 4.11 -1.99 0.81 114.58 118.32 1wh6 h GLU 10 Ca 0.31 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.72 1wh6 h GLU 10 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1wh6 h GLU 10 CO -0.08 0.02 -0.19 1.25 0.07 0.00 0.00 179.01 180.08 1wh6 h LEU 11 N 0.00 -0.45 0.00 3.06 7.12 -1.46 -3.28 115.31 120.30 1wh6 h LEU 11 Ca -0.00 -0.12 0.00 0.00 0.13 0.00 0.00 57.88 57.89 1wh6 h LEU 11 Cb 0.05 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.30 1wh6 h LEU 11 CO 0.00 -0.04 0.00 -1.22 -0.13 0.00 0.00 178.44 177.05 1wh6 n TYR 12 N -5.16 0.00 0.31 1.25 4.01 -0.78 -3.72 117.16 113.07 1wh6 n TYR 12 Ca -0.09 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.84 1wh6 n TYR 12 Cb 0.28 0.00 1.02 0.00 -0.31 0.00 0.00 39.34 40.33 1wh6 n TYR 12 CO 0.00 0.00 0.00 1.98 -0.46 0.00 0.00 176.86 178.38 1wh6 h MET 13 N 0.00 0.00 0.00 -0.72 4.05 -0.93 -3.32 114.93 114.02 1wh6 h MET 13 Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1wh6 h MET 13 Cb 0.00 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1wh6 h MET 13 CO 0.00 0.02 -0.70 0.66 0.23 0.00 0.00 176.91 177.12 1wh6 n TYR 14 N -3.35 0.00 -1.68 1.39 4.01 -1.24 -5.07 117.16 111.22 1wh6 n TYR 14 Ca -0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 1wh6 n TYR 14 Cb 0.13 -0.06 0.02 0.00 -0.31 0.00 0.00 39.34 39.11 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 -3.29 1.71 -1.62 -0.72 0.00 -1.25 -5.00 116.66 106.48 1wh6 n ARG 15 Ca -0.03 0.61 -0.29 0.00 -0.00 0.00 0.00 57.85 58.14 1wh6 n ARG 15 Cb 0.33 -2.30 0.11 0.00 0.00 0.00 0.00 32.46 30.60 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 -2.23 1.72 0.03 -0.14 2.02 -1.26 -4.82 118.70 114.02 1wh6 s GLU 16 Ca 0.63 0.39 -0.06 0.00 0.02 0.00 0.00 54.97 55.96 1wh6 s GLU 16 Cb -0.51 -1.90 -0.01 0.00 0.10 0.00 0.00 34.13 31.81 1wh6 s GLU 16 CO 0.56 -1.82 0.10 0.54 0.02 0.00 0.00 175.26 174.67 1wh6 s VAL 17 N -3.29 0.12 -0.78 2.63 0.11 -1.26 -5.10 120.40 112.84 1wh6 s VAL 17 Ca 0.62 -1.02 -0.23 0.00 -2.93 0.00 0.00 61.98 58.41 1wh6 s VAL 17 Cb -0.14 -0.81 0.06 0.00 -1.53 0.00 0.00 36.38 33.97 1wh6 s VAL 17 CO 0.53 -0.56 1.15 -1.81 -3.33 0.00 0.00 175.10 171.08 1wh6 s ASP 18 N -2.00 6.29 0.60 3.54 1.01 -1.26 -4.53 116.67 120.31 1wh6 s ASP 18 Ca -0.07 -1.06 0.35 0.00 0.71 0.00 0.00 52.55 52.48 1wh6 s ASP 18 Cb -0.02 -2.48 1.90 0.00 1.01 0.00 0.00 42.92 43.32 1wh6 s ASP 18 CO -0.04 -1.51 2.23 0.71 0.21 0.00 0.00 175.17 176.77 1wh6 h THR 19 N 6.09 0.31 -0.01 -1.27 1.35 -1.97 0.06 112.91 117.48 1wh6 h THR 19 Ca -0.15 -0.19 -0.01 0.00 -0.55 0.00 0.00 66.41 65.52 1wh6 h THR 19 Cb 1.05 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1wh6 h THR 19 CO 1.24 0.03 -0.03 -0.07 -0.25 0.00 0.00 175.52 176.44 1wh6 h LEU 20 N 0.00 0.04 -1.20 3.87 -0.00 -1.90 -2.06 115.31 114.06 1wh6 h LEU 20 Ca -0.00 -0.62 -0.06 0.00 -0.00 0.00 0.00 57.88 57.21 1wh6 h LEU 20 Cb 0.13 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.77 1wh6 h LEU 20 CO 0.00 0.65 -0.05 -0.08 -0.00 0.00 0.00 178.44 178.96 1wh6 h GLU 21 N -0.57 0.49 0.42 1.13 4.81 -1.73 -0.16 114.58 118.98 1wh6 h GLU 21 Ca -0.00 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1wh6 h GLU 21 Cb 0.64 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1wh6 h GLU 21 CO 0.01 0.56 -0.20 1.25 -0.73 0.00 0.00 179.01 179.89 1wh6 h LEU 22 N 0.47 -0.48 -0.63 1.64 5.85 -1.07 -0.17 115.31 120.92 1wh6 h LEU 22 Ca 0.10 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1wh6 h LEU 22 Cb 0.39 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1wh6 h LEU 22 CO 0.02 -0.33 0.36 0.71 -0.34 0.00 0.00 178.44 178.86 1wh6 h THR 23 N -0.58 1.19 -0.20 1.05 1.35 -1.10 -1.92 112.91 112.70 1wh6 h THR 23 Ca -0.06 -0.46 0.06 0.00 -0.55 0.00 0.00 66.41 65.40 1wh6 h THR 23 Cb 0.44 0.36 -0.06 0.00 -1.73 0.00 0.00 68.15 67.16 1wh6 h THR 23 CO 0.10 0.21 -0.22 0.03 -0.25 0.00 0.00 175.52 175.38 1wh6 h ARG 24 N 0.85 -0.24 -0.10 4.72 3.08 -0.84 0.29 114.38 122.15 1wh6 h ARG 24 Ca 0.22 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.31 1wh6 h ARG 24 Cb 0.01 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1wh6 h ARG 24 CO -0.04 -0.16 -0.01 1.96 -1.07 0.00 0.00 179.97 180.65 1wh6 h GLN 25 N -0.24 0.02 -0.14 0.04 1.08 -0.94 -2.64 115.11 112.29 1wh6 h GLN 25 Ca 0.12 -0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.37 1wh6 h GLN 25 Cb 0.43 -0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.80 1wh6 h GLN 25 CO -0.35 0.01 -0.27 0.28 -0.95 0.00 0.00 178.83 177.56 1wh6 h VAL 26 N 0.02 0.37 -0.79 -0.54 2.07 -0.64 -1.49 116.25 115.25 1wh6 h VAL 26 Ca 0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1wh6 h VAL 26 Cb 0.06 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 1wh6 h VAL 26 CO -0.09 0.00 0.52 0.11 0.02 0.00 0.00 177.57 178.13 1wh6 h LYS 27 N -0.33 1.01 0.37 1.57 1.57 -0.32 -0.40 116.57 120.03 1wh6 h LYS 27 Ca 0.10 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1wh6 h LYS 27 Cb 0.49 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1wh6 h LYS 27 CO -0.33 0.67 -0.18 0.93 -0.57 0.00 0.00 179.45 179.97 1wh6 h GLU 28 N 1.04 -0.47 -0.96 3.15 5.08 -1.30 -2.48 114.58 118.63 1wh6 h GLU 28 Ca 0.30 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.80 1wh6 h GLU 28 Cb -0.07 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 1wh6 h GLU 28 CO -0.08 -0.19 0.60 -0.22 -1.00 0.00 0.00 179.01 178.11 1wh6 h LYS 29 N -0.72 0.96 0.45 2.33 3.64 -0.72 0.38 116.57 122.88 1wh6 h LYS 29 Ca -0.05 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1wh6 h LYS 29 Cb 0.50 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1wh6 h LYS 29 CO 0.08 0.63 -0.22 -0.07 -2.27 0.00 0.00 179.45 177.61 1wh6 h LEU 30 N 0.99 -0.51 -1.31 5.20 3.38 -1.14 -2.97 115.31 118.94 1wh6 h LEU 30 Ca 0.46 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.37 1wh6 h LEU 30 Cb 0.39 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1wh6 h LEU 30 CO -0.24 -0.29 0.12 0.00 0.09 0.00 0.00 178.44 178.11 1wh6 h ALA 31 N -0.19 1.45 -0.45 1.53 0.00 -0.81 -0.29 119.26 120.50 1wh6 h ALA 31 Ca -0.06 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.79 1wh6 h ALA 31 Cb 0.51 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 1wh6 h ALA 31 CO 0.10 0.41 -0.08 -0.22 0.00 0.00 0.00 179.25 179.45 1wh6 h LYS 32 N 0.58 0.02 -0.13 0.00 3.64 -0.93 -1.30 116.57 118.45 1wh6 h LYS 32 Ca 0.14 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1wh6 h LYS 32 Cb 0.19 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1wh6 h LYS 32 CO -0.01 0.02 0.00 0.09 -2.27 0.00 0.00 179.45 177.28 1wh6 n ASN 33 N -5.30 1.25 -1.78 4.20 4.13 -0.51 -4.92 115.26 112.33 1wh6 n ASN 33 Ca 0.04 -1.66 -0.20 0.00 1.68 0.00 0.00 54.58 54.44 1wh6 n ASN 33 Cb 0.24 -0.08 -0.06 0.00 -1.54 0.00 0.00 39.78 38.34 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 1.03 1.03 3.71 7.41 0.00 -0.32 -4.95 105.19 113.10 1wh6 n GLY 34 Ca 0.15 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.82 4.25 -0.21 -0.61 1.01 -0.27 -4.97 121.20 117.57 1wh6 s ILE 35 Ca 0.00 1.61 -0.29 0.00 0.00 0.00 0.00 60.65 61.97 1wh6 s ILE 35 Cb 0.00 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1wh6 s ILE 35 CO 0.00 0.11 1.66 0.00 0.00 0.00 0.00 174.94 176.71 1wh6 h GLN 37 N 10.99 0.65 -0.66 0.00 7.50 -1.96 -1.52 115.11 130.10 1wh6 h GLN 37 Ca -0.35 -0.04 0.13 0.00 0.50 0.00 0.00 58.65 58.89 1wh6 h GLN 37 Cb 1.16 -0.15 -0.13 0.00 0.05 0.00 0.00 27.48 28.42 1wh6 h GLN 37 CO 1.00 0.43 -0.19 -0.09 -1.50 0.00 0.00 178.83 178.48 1wh6 h ARG 38 N 0.67 -0.02 0.02 1.46 2.43 -1.94 -0.47 114.38 116.53 1wh6 h ARG 38 Ca 0.59 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.50 1wh6 h ARG 38 Cb 1.05 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.62 1wh6 h ARG 38 CO -0.39 -0.01 -1.06 0.82 -1.51 0.00 0.00 179.97 177.82 1wh6 h ILE 39 N -0.02 1.30 -0.31 1.20 2.04 -1.69 -1.99 117.51 118.04 1wh6 h ILE 39 Ca 0.31 -2.31 0.06 0.00 1.00 0.00 0.00 64.86 63.92 1wh6 h ILE 39 Cb 0.50 2.43 -0.06 0.00 -0.74 0.00 0.00 36.82 38.95 1wh6 h ILE 39 CO -0.69 0.71 -0.11 0.15 0.00 0.00 0.00 178.15 178.22 1wh6 h PHE 40 N 0.35 -0.24 -0.39 1.37 3.57 -1.28 -0.68 116.94 119.64 1wh6 h PHE 40 Ca -0.13 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.48 1wh6 h PHE 40 Cb 1.71 0.16 -0.07 0.00 2.79 0.00 0.00 35.95 40.54 1wh6 h PHE 40 CO 0.10 -0.17 -0.04 0.78 -2.23 0.00 0.00 178.31 176.75 1wh6 h GLY 41 N -0.04 0.35 2.00 2.40 0.00 -1.03 0.16 103.07 106.90 1wh6 h GLY 41 Ca 0.15 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1wh6 h GLY 41 CO -0.34 -0.12 0.00 0.83 0.00 0.00 0.00 176.54 176.91 1wh6 h GLU 42 N 0.06 0.00 0.00 4.80 5.08 -0.51 0.28 114.58 124.29 1wh6 h GLU 42 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1wh6 h GLU 42 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1wh6 h GLU 42 CO -0.36 0.00 -0.61 1.63 -1.00 0.00 0.00 179.01 178.67 1wh6 n LYS 43 N -3.00 2.41 -0.03 2.33 5.02 -0.36 -4.25 118.16 120.29 1wh6 n LYS 43 Ca 0.01 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 1wh6 n LYS 43 Cb 0.28 -0.81 -0.00 0.00 -0.02 0.00 0.00 35.03 34.48 1wh6 n LYS 43 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1wh6 h VAL 44 N 0.00 0.00 0.00 -0.18 2.07 -0.87 -3.42 116.25 113.86 1wh6 h VAL 44 Ca 0.00 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 1wh6 h VAL 44 Cb 0.44 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1wh6 h VAL 44 CO 0.00 0.00 -0.32 -0.07 0.02 0.00 0.00 177.57 177.20 1wh6 h LEU 45 N -0.39 0.00 0.00 2.57 3.38 -1.12 -3.46 115.31 116.29 1wh6 h LEU 45 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wh6 h LEU 45 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1wh6 h LEU 45 CO 0.00 0.32 0.00 0.61 0.09 0.00 0.00 178.44 179.46 1wh6 n GLY 46 N -0.15 0.99 3.90 0.83 0.00 0.91 -4.84 105.19 106.84 1wh6 n GLY 46 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 3.78 0.69 0.99 1.43 -0.75 -4.87 118.68 119.94 1wh6 s LEU 47 Ca 0.00 0.89 -0.14 0.00 -1.03 0.00 0.00 54.13 53.85 1wh6 s LEU 47 Cb 0.00 -3.80 0.02 0.00 0.03 0.00 0.00 46.19 42.43 1wh6 s LEU 47 CO 0.00 -0.45 1.13 -0.44 0.23 0.00 0.00 176.35 176.81 1wh6 s SER 48 N -3.75 4.84 0.18 2.29 0.01 -1.26 -3.14 113.70 112.87 1wh6 s SER 48 Ca 0.47 2.05 -0.18 0.00 1.31 0.00 0.00 55.95 59.60 1wh6 s SER 48 Cb -0.10 -2.56 0.14 0.00 0.21 0.00 0.00 66.02 63.71 1wh6 s SER 48 CO 0.39 -1.82 1.62 -0.61 0.41 0.00 0.00 173.24 173.23 1wh6 h GLN 49 N -0.18 -0.11 0.33 12.44 -0.00 -1.95 -2.47 115.11 123.16 1wh6 h GLN 49 Ca -0.46 0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.18 1wh6 h GLN 49 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.76 1wh6 h GLN 49 CO 0.53 -0.07 -0.16 0.78 0.00 0.00 0.00 178.83 179.91 1wh6 h GLY 50 N -0.11 -0.46 0.60 2.39 0.00 -1.98 0.10 103.07 103.61 1wh6 h GLY 50 Ca 0.23 0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.79 1wh6 h GLY 50 CO -0.57 -0.17 0.16 1.76 0.00 0.00 0.00 176.54 177.72 1wh6 h SER 51 N -0.44 0.16 -0.01 0.19 0.02 -1.91 -0.19 113.55 111.36 1wh6 h SER 51 Ca -0.04 0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1wh6 h SER 51 Cb 0.34 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1wh6 h SER 51 CO 0.07 0.13 -0.30 0.58 -1.14 0.00 0.00 176.83 176.17 1wh6 h VAL 52 N 0.32 1.28 -0.08 2.27 2.07 -1.24 -2.19 116.25 118.68 1wh6 h VAL 52 Ca 0.21 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 1wh6 h VAL 52 Cb 0.20 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1wh6 h VAL 52 CO -0.21 0.42 -0.05 -1.28 0.02 0.00 0.00 177.57 176.47 1wh6 h SER 53 N 0.39 0.18 -0.70 0.57 0.87 -0.07 -1.22 113.55 113.57 1wh6 h SER 53 Ca 0.05 -0.45 0.14 0.00 -1.23 0.00 0.00 61.79 60.30 1wh6 h SER 53 Cb 0.72 -0.05 -0.10 0.00 -0.44 0.00 0.00 62.40 62.54 1wh6 h SER 53 CO 0.06 0.59 0.22 0.44 -0.53 0.00 0.00 176.83 177.61 1wh6 h ASP 54 N -0.23 0.14 0.78 6.23 3.32 -1.04 -1.54 116.42 124.08 1wh6 h ASP 54 Ca 0.02 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1wh6 h ASP 54 Cb 0.53 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 1wh6 h ASP 54 CO 0.01 0.05 -0.48 0.24 -1.72 0.00 0.00 179.24 177.34 1wh6 h MET 55 N 0.35 -1.13 0.00 3.56 2.86 -1.02 0.17 114.93 119.71 1wh6 h MET 55 Ca 0.39 0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 58.09 1wh6 h MET 55 Cb 0.60 0.26 -0.00 0.00 0.06 0.00 0.00 31.60 32.51 1wh6 h MET 55 CO -0.43 -0.76 -0.06 -0.07 1.06 0.00 0.00 176.91 176.66 1wh6 h LEU 56 N -1.18 0.00 0.03 1.22 3.38 -1.04 -1.15 115.31 116.57 1wh6 h LEU 56 Ca -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1wh6 h LEU 56 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1wh6 h LEU 56 CO 0.10 0.06 -0.01 0.28 0.09 0.00 0.00 178.44 178.96 1wh6 h SER 57 N 0.00 -0.03 -1.84 -0.43 0.02 -1.04 -3.44 113.55 106.79 1wh6 h SER 57 Ca -0.00 -0.68 -0.53 0.00 -0.84 0.00 0.00 61.79 59.74 1wh6 h SER 57 Cb 0.16 0.01 -0.36 0.00 0.14 0.00 0.00 62.40 62.34 1wh6 h SER 57 CO 0.01 0.73 -1.04 -2.11 -1.14 0.00 0.00 176.83 173.28 1wh6 n ARG 58 N -4.74 0.67 -2.13 3.45 1.85 0.03 -5.11 116.66 110.67 1wh6 n ARG 58 Ca -0.08 -3.07 -0.36 0.00 -1.00 0.00 0.00 57.85 53.34 1wh6 n ARG 58 Cb 0.35 -1.28 0.01 0.00 -1.05 0.00 0.00 32.46 30.50 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 -0.88 3.28 0.17 2.89 0.05 -0.46 -4.62 135.00 135.43 1wh6 s PRO 59 Ca 0.34 1.77 -0.05 0.00 0.05 0.00 0.00 61.00 63.12 1wh6 s PRO 59 Cb 0.16 -2.07 -0.06 0.00 0.05 0.00 0.00 34.50 32.58 1wh6 s PRO 59 CO -0.13 -0.95 0.40 0.15 0.05 0.00 0.00 177.00 176.53 1wh6 s LYS 60 N -3.16 3.62 0.62 4.56 3.01 -1.26 -4.88 119.74 122.26 1wh6 s LYS 60 Ca 0.73 -0.08 -0.14 0.00 -1.01 0.00 0.00 55.97 55.46 1wh6 s LYS 60 Cb -0.28 -2.82 -0.02 0.00 -1.01 0.00 0.00 37.83 33.70 1wh6 s LYS 60 CO 0.32 0.43 1.06 -1.25 0.51 0.00 0.00 175.35 176.42 1wh6 s PRO 61 N -2.80 3.21 0.29 -1.68 0.04 -1.26 -4.78 135.00 128.02 1wh6 s PRO 61 Ca 0.41 1.14 0.02 0.00 0.04 0.00 0.00 61.00 62.61 1wh6 s PRO 61 Cb -0.12 -2.02 0.56 0.00 0.04 0.00 0.00 34.50 32.96 1wh6 s PRO 61 CO 0.25 -0.89 1.84 2.35 0.04 0.00 0.00 177.00 180.59 1wh6 h TRP 62 N 0.13 1.13 -0.35 0.56 2.91 -1.92 -0.98 115.95 117.42 1wh6 h TRP 62 Ca -0.46 0.03 0.01 0.00 1.13 0.00 0.00 58.89 59.60 1wh6 h TRP 62 Cb 1.22 -0.36 -0.02 0.00 -0.51 0.00 0.00 29.16 29.49 1wh6 h TRP 62 CO 0.59 0.46 0.23 0.77 -1.03 0.00 0.00 178.44 179.46 1wh6 h SER 63 N 0.99 0.40 1.30 2.65 0.02 -1.94 -2.32 113.55 114.65 1wh6 h SER 63 Ca 0.49 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.35 1wh6 h SER 63 Cb 0.48 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1wh6 h SER 63 CO -0.25 0.29 -0.73 0.11 -1.14 0.00 0.00 176.83 175.10 1wh6 h LYS 64 N 0.47 0.00 -6.16 3.45 1.79 -1.55 -3.44 116.57 111.13 1wh6 h LYS 64 Ca 0.13 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 58.03 1wh6 h LYS 64 Cb -0.04 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.56 1wh6 h LYS 64 CO -0.03 0.25 0.67 -0.51 -1.08 0.00 0.00 179.45 178.75 1wh6 s LEU 65 N -6.03 4.17 0.00 2.94 1.43 -0.87 -4.99 118.68 115.33 1wh6 s LEU 65 Ca 0.02 1.44 -0.14 0.00 -1.03 0.00 0.00 54.13 54.42 1wh6 s LEU 65 Cb 0.08 -3.53 0.19 0.00 0.03 0.00 0.00 46.19 42.95 1wh6 s LEU 65 CO 0.76 -0.55 1.04 0.35 0.23 0.00 0.00 176.35 178.18 1wh6 n THR 66 N 4.93 0.00 -0.16 5.49 -2.24 -1.26 -4.70 114.28 116.33 1wh6 n THR 66 Ca 0.10 -0.73 -0.06 0.00 -2.27 0.00 0.00 64.05 61.09 1wh6 n THR 66 Cb 0.47 -1.55 -0.00 0.00 -2.10 0.00 0.00 70.33 67.15 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 -0.19 0.00 -0.78 4.15 -1.97 0.14 115.11 116.46 1wh6 h GLN 67 Ca -0.34 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.09 1wh6 h GLN 67 Cb 0.96 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.69 1wh6 h GLN 67 CO 0.24 -0.13 0.00 1.17 -1.93 0.00 0.00 178.83 178.18 1wh6 n LYS 68 N -5.42 0.22 0.06 1.69 4.81 -1.26 -1.56 118.16 116.69 1wh6 n LYS 68 Ca 0.03 0.36 -0.11 0.00 -0.87 0.00 0.00 58.31 57.72 1wh6 n LYS 68 Cb 0.34 -1.86 -0.01 0.00 0.02 0.00 0.00 35.03 33.53 1wh6 n LYS 68 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1wh6 h GLY 69 N 2.93 0.45 1.71 3.14 0.00 -1.31 -3.36 103.07 106.63 1wh6 h GLY 69 Ca 0.00 -0.70 -0.06 0.00 0.00 0.00 0.00 47.33 46.57 1wh6 h GLY 69 CO 0.00 0.62 -0.51 3.21 0.00 0.00 0.00 176.54 179.86 1wh6 h ARG 70 N 0.26 0.00 -0.82 4.80 3.08 0.22 -3.39 114.38 118.54 1wh6 h ARG 70 Ca -0.05 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.12 1wh6 h ARG 70 Cb 1.42 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.34 1wh6 h ARG 70 CO 0.14 0.21 -0.40 0.93 -1.07 0.00 0.00 179.97 179.78 1wh6 h GLU 71 N 0.00 -0.08 0.01 0.04 5.08 -1.59 0.61 114.58 118.65 1wh6 h GLU 71 Ca -0.02 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1wh6 h GLU 71 Cb 1.21 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1wh6 h GLU 71 CO 0.03 -0.05 -0.01 -1.00 -1.00 0.00 0.00 179.01 176.98 1wh6 h PRO 72 N -0.09 -0.02 -0.87 2.33 0.13 -1.85 -3.14 132.00 128.50 1wh6 h PRO 72 Ca 0.27 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.58 1wh6 h PRO 72 Cb 0.56 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.63 1wh6 h PRO 72 CO -0.85 0.25 0.58 0.74 -0.23 0.00 0.00 178.00 178.48 1wh6 h PHE 73 N -0.28 0.57 -0.11 1.56 0.04 -1.51 -0.12 116.94 117.09 1wh6 h PHE 73 Ca -0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1wh6 h PHE 73 Cb 0.27 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 1wh6 h PHE 73 CO 0.01 0.17 0.07 0.82 -0.60 0.00 0.00 178.31 178.79 1wh6 h ILE 74 N 0.45 1.04 -0.36 -0.55 2.04 -0.87 -1.68 117.51 117.57 1wh6 h ILE 74 Ca 0.45 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 66.16 1wh6 h ILE 74 Cb 1.05 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1wh6 h ILE 74 CO -0.17 0.04 0.02 0.03 0.00 0.00 0.00 178.15 178.07 1wh6 h ARG 75 N 0.13 0.56 -0.43 2.37 3.08 -1.04 -1.67 114.38 117.38 1wh6 h ARG 75 Ca 0.04 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 60.03 1wh6 h ARG 75 Cb 0.01 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 29.92 1wh6 h ARG 75 CO -0.01 0.57 0.15 0.52 -1.07 0.00 0.00 179.97 180.13 1wh6 h MET 76 N 0.54 0.30 -0.11 0.04 2.86 -0.94 -1.63 114.93 115.99 1wh6 h MET 76 Ca 0.12 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1wh6 h MET 76 Cb 0.31 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1wh6 h MET 76 CO 0.01 0.20 0.05 1.96 1.06 0.00 0.00 176.91 180.19 1wh6 h GLN 77 N 0.31 0.16 0.82 1.72 4.20 -0.45 -3.08 115.11 118.80 1wh6 h GLN 77 Ca 0.20 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 1wh6 h GLN 77 Cb 0.19 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 27.95 1wh6 h GLN 77 CO -0.21 0.23 -0.39 -0.07 -0.67 0.00 0.00 178.83 177.72 1wh6 h LEU 78 N 0.06 -0.93 -1.94 1.46 3.38 -1.32 -3.19 115.31 112.82 1wh6 h LEU 78 Ca 0.04 0.03 0.40 0.00 0.09 0.00 0.00 57.88 58.44 1wh6 h LEU 78 Cb 0.12 0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1wh6 h LEU 78 CO -0.00 -0.62 0.98 -0.25 0.09 0.00 0.00 178.44 178.63 1wh6 h TRP 79 N -1.20 0.05 -0.40 1.13 7.01 -1.32 0.25 115.95 121.47 1wh6 h TRP 79 Ca -0.11 0.00 0.08 0.00 2.11 0.00 0.00 58.89 60.97 1wh6 h TRP 79 Cb 0.84 -0.01 -0.08 0.00 -2.10 0.00 0.00 29.16 27.81 1wh6 h TRP 79 CO 0.02 -0.01 -0.09 -0.07 -2.79 0.00 0.00 178.44 175.50 1wh6 h LEU 80 N 0.02 -0.35 0.00 0.65 3.38 -1.52 -1.32 115.31 116.17 1wh6 h LEU 80 Ca 0.66 0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.66 1wh6 h LEU 80 Cb 2.59 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 43.57 1wh6 h LEU 80 CO -0.04 -0.13 -1.12 -0.24 0.09 0.00 0.00 178.44 177.01 1wh6 n SER 81 N -5.30 1.89 -0.29 -0.43 2.88 0.38 -4.66 113.62 108.10 1wh6 n SER 81 Ca 0.02 0.43 0.18 0.00 -1.33 0.00 0.00 58.87 58.18 1wh6 n SER 81 Cb 0.22 -0.81 0.45 0.00 -0.75 0.00 0.00 64.21 63.32 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 0.53 0.00 -3.46 1.82 -0.77 -3.46 116.42 110.08 1wh6 h ASP 82 Ca -0.14 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 1wh6 h ASP 82 Cb 0.98 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.96 1wh6 h ASP 82 CO -0.09 0.19 0.00 1.67 -1.61 0.00 0.00 179.24 179.40 1wh6 n GLN 83 N -4.61 -0.87 -3.60 0.28 7.27 -0.50 -3.86 117.38 111.50 1wh6 n GLN 83 Ca 0.22 0.22 -0.31 0.00 0.07 0.00 0.00 57.00 57.20 1wh6 n GLN 83 Cb 0.70 -4.70 0.02 0.00 2.41 0.00 0.00 30.24 28.67 1wh6 n GLN 83 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1wh6 n LEU 84 N 0.00 -2.57 -3.52 1.69 4.32 -1.26 -4.84 117.00 110.81 1wh6 n LEU 84 Ca 0.00 -0.49 -0.39 0.00 -0.02 0.00 0.00 56.01 55.11 1wh6 n LEU 84 Cb 0.22 -1.74 -0.02 0.00 -1.62 0.00 0.00 43.42 40.26 1wh6 n LEU 84 CO 0.00 0.04 2.87 0.61 -1.22 0.00 0.00 177.39 179.69 1wh6 n GLY 85 N -0.88 4.08 0.03 -0.72 0.00 -1.25 -4.60 105.19 101.84 1wh6 n GLY 85 Ca -0.18 -1.47 -0.01 0.00 0.00 0.00 0.00 46.02 44.36 1wh6 n GLY 85 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1wh6 h GLN 86 N 5.84 0.00 -1.80 1.61 7.50 -1.95 -3.50 115.11 122.80 1wh6 h GLN 86 Ca 0.66 0.00 0.05 0.00 0.50 0.00 0.00 58.65 59.86 1wh6 h GLN 86 Cb 0.47 0.00 -0.21 0.00 0.05 0.00 0.00 27.48 27.80 1wh6 h GLN 86 CO 1.82 0.00 0.44 0.00 -1.50 0.00 0.00 178.83 179.59 1wh6 s ALA 87 N -2.86 -1.87 -1.69 3.87 0.00 -1.26 -5.05 121.76 112.89 1wh6 s ALA 87 Ca -0.04 1.42 0.07 0.00 0.00 0.00 0.00 51.96 53.40 1wh6 s ALA 87 Cb 0.01 -0.34 0.22 0.00 0.00 0.00 0.00 23.12 23.00 1wh6 s ALA 87 CO 0.06 -0.38 1.10 1.55 0.00 0.00 0.00 175.76 178.09 1wh6 n VAL 88 N 0.63 0.45 -4.14 0.00 3.14 -1.26 -4.83 118.33 112.31 1wh6 n VAL 88 Ca -0.12 -0.35 -0.15 0.00 -2.96 0.00 0.00 64.34 60.76 1wh6 n VAL 88 Cb 0.58 0.01 -0.06 0.00 -1.06 0.00 0.00 33.84 33.31 1wh6 n VAL 88 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1wh6 s GLY 89 N -0.81 1.60 0.00 7.55 0.00 -1.26 -5.12 107.32 109.28 1wh6 s GLY 89 Ca 0.16 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.26 1wh6 s GLY 89 CO 0.09 -1.14 0.00 -1.06 0.00 0.00 0.00 173.10 170.99 1wh6 n GLN 90 N -0.52 0.00 -4.17 2.90 6.02 -1.26 -5.12 117.38 115.24 1wh6 n GLN 90 Ca 0.02 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.78 1wh6 n GLN 90 Cb 0.62 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.83 1wh6 n GLN 90 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1wh6 s GLN 91 N 0.00 2.68 0.69 -1.09 1.11 -1.26 -5.12 119.66 116.67 1wh6 s GLN 91 Ca 0.00 -1.11 -0.11 0.00 0.01 0.00 0.00 55.36 54.15 1wh6 s GLN 91 Cb 0.00 -2.45 0.01 0.00 -1.01 0.00 0.00 33.01 29.56 1wh6 s GLN 91 CO 0.00 0.42 1.06 -1.25 0.01 0.00 0.00 175.29 175.53 1wh6 s PRO 92 N -3.48 2.89 0.00 2.91 0.04 -1.26 -5.08 135.00 131.01 1wh6 s PRO 92 Ca 0.31 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1wh6 s PRO 92 Cb -0.08 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1wh6 s PRO 92 CO 0.22 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.53 1wh6 n GLY 93 N -1.74 1.18 3.12 0.56 0.00 -1.26 -5.15 105.19 101.89 1wh6 n GLY 93 Ca 0.08 -1.90 -0.08 0.00 0.00 0.00 0.00 46.02 44.11 1wh6 n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wh6 s ALA 94 N -2.67 0.14 0.71 4.61 0.00 -1.26 -5.18 121.76 118.12 1wh6 s ALA 94 Ca 0.00 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1wh6 s ALA 94 Cb 0.00 0.32 0.14 0.00 0.00 0.00 0.00 23.12 23.57 1wh6 s ALA 94 CO 0.00 -0.38 0.96 0.43 0.00 0.00 0.00 175.76 176.76 1wh6 n SER 95 N 0.31 1.41 -4.07 0.00 7.64 -1.26 -5.15 113.62 112.50 1wh6 n SER 95 Ca -0.16 -2.16 -0.19 0.00 1.01 0.00 0.00 58.87 57.37 1wh6 n SER 95 Cb 0.60 -0.61 -0.09 0.00 -1.01 0.00 0.00 64.21 63.10 1wh6 n SER 95 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wh6 s SER 96 N -4.93 1.66 -0.33 6.43 0.15 -1.26 -5.14 113.70 110.27 1wh6 s SER 96 Ca 0.64 -1.53 -0.06 0.00 0.70 0.00 0.00 55.95 55.70 1wh6 s SER 96 Cb -0.04 0.34 0.04 0.00 -1.71 0.00 0.00 66.02 64.65 1wh6 s SER 96 CO 0.42 -0.85 0.10 -0.83 1.20 0.00 0.00 173.24 173.28 1wh6 s GLY 97 N -3.40 1.83 1.13 9.45 0.00 -1.26 -5.11 107.32 109.97 1wh6 s GLY 97 Ca 0.35 -1.72 -0.19 0.00 0.00 0.00 0.00 44.72 43.16 1wh6 s GLY 97 CO 0.17 0.76 1.20 2.56 0.00 0.00 0.00 173.10 177.78 1wh6 s PRO 98 N 1.40 -0.70 1.60 2.90 0.04 -1.26 -4.97 135.00 134.01 1wh6 s PRO 98 Ca -0.02 -0.27 0.00 0.00 0.04 0.00 0.00 61.00 60.76 1wh6 s PRO 98 Cb -0.19 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1wh6 s PRO 98 CO 0.03 -3.33 0.00 0.43 0.04 0.00 0.00 177.00 174.17 1wh6 n SER 99 N -4.45 -5.31 0.04 6.66 7.64 -1.26 -4.99 113.62 111.95 1wh6 n SER 99 Ca 0.15 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.23 1wh6 n SER 99 Cb 0.60 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1wh6 n SER 99 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wh6 n SER 100 N -2.53 -0.47 -0.94 6.43 7.64 -1.26 -5.30 113.62 117.20 1wh6 n SER 100 Ca 0.00 0.13 0.12 0.00 1.01 0.00 0.00 58.87 60.14 1wh6 n SER 100 Cb 0.08 0.69 0.12 0.00 -1.01 0.00 0.00 64.21 64.10 1wh6 n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64