#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 6.37 -0.45 1.61 0.01 -1.26 -4.93 113.70 115.05 1wh6 s SER 2 Ca 0.00 2.29 0.06 0.00 1.31 0.00 0.00 55.95 59.61 1wh6 s SER 2 Cb 0.00 -2.53 0.18 0.00 0.21 0.00 0.00 66.02 63.88 1wh6 s SER 2 CO 0.00 -1.17 0.56 -0.44 0.41 0.00 0.00 173.24 172.61 1wh6 s SER 3 N 4.60 -0.37 0.00 2.44 0.01 -1.26 -4.99 113.70 114.13 1wh6 s SER 3 Ca 0.83 -1.82 0.00 0.00 1.31 0.00 0.00 55.95 56.27 1wh6 s SER 3 Cb -0.36 1.17 0.00 0.00 0.21 0.00 0.00 66.02 67.04 1wh6 s SER 3 CO 0.35 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.48 1wh6 n GLY 4 N 3.42 -0.83 5.00 3.44 0.00 -1.26 -5.08 105.19 109.88 1wh6 n GLY 4 Ca 0.18 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1wh6 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh6 n SER 5 N 0.00 0.00 0.33 1.61 7.64 -1.26 -4.16 113.62 117.78 1wh6 n SER 5 Ca 0.00 0.00 0.22 0.00 1.01 0.00 0.00 58.87 60.10 1wh6 n SER 5 Cb 0.00 0.00 1.16 0.00 -1.01 0.00 0.00 64.21 64.36 1wh6 n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wh6 h SER 6 N 0.00 0.00 -5.02 6.43 0.02 -1.99 -3.47 113.55 109.52 1wh6 h SER 6 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1wh6 h SER 6 Cb 0.00 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.57 1wh6 h SER 6 CO 0.00 0.00 -0.14 0.61 -1.14 0.00 0.00 176.83 176.17 1wh6 n GLY 7 N -1.01 -1.05 3.53 -3.77 0.00 -1.26 -4.65 105.19 96.98 1wh6 n GLY 7 Ca -0.03 0.38 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 1wh6 n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wh6 n GLN 8 N -1.90 -0.30 0.31 1.61 6.02 -1.26 -4.86 117.38 117.00 1wh6 n GLN 8 Ca -0.01 -0.03 0.17 0.00 -0.01 0.00 0.00 57.00 57.12 1wh6 n GLN 8 Cb 0.52 -2.09 0.93 0.00 1.02 0.00 0.00 30.24 30.62 1wh6 n GLN 8 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 177.06 176.15 1wh6 h TYR 9 N -1.60 0.00 -0.59 1.08 -0.00 -1.94 -2.16 116.97 111.76 1wh6 h TYR 9 Ca -0.44 0.00 0.17 0.00 0.00 0.00 0.00 58.73 58.47 1wh6 h TYR 9 Cb 1.28 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.99 1wh6 h TYR 9 CO 0.43 0.00 0.44 1.49 -0.00 0.00 0.00 178.16 180.52 1wh6 h GLU 10 N 0.00 0.00 0.26 0.10 4.81 -2.00 0.62 114.58 118.37 1wh6 h GLU 10 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1wh6 h GLU 10 Cb 0.31 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 1wh6 h GLU 10 CO 0.00 0.00 -0.14 1.25 -0.73 0.00 0.00 179.01 179.39 1wh6 h LEU 11 N 0.00 -0.34 -0.35 1.64 7.12 -1.72 -3.13 115.31 118.53 1wh6 h LEU 11 Ca 0.28 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.31 1wh6 h LEU 11 Cb 1.16 0.10 0.00 0.00 -0.53 0.00 0.00 40.66 41.38 1wh6 h LEU 11 CO -0.00 -0.23 0.00 -1.22 -0.13 0.00 0.00 178.44 176.86 1wh6 n TYR 12 N -5.26 0.76 -0.03 1.25 4.01 0.01 -2.45 117.16 115.45 1wh6 n TYR 12 Ca -0.09 0.26 0.06 0.00 -0.16 0.00 0.00 57.90 57.97 1wh6 n TYR 12 Cb 0.18 -0.93 0.45 0.00 -0.31 0.00 0.00 39.34 38.73 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 0.00 0.50 0.00 -0.72 2.86 -0.93 -3.32 114.93 113.31 1wh6 h MET 13 Ca 0.00 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 1wh6 h MET 13 Cb 0.51 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1wh6 h MET 13 CO 0.00 0.33 -1.17 0.66 1.06 0.00 0.00 176.91 177.79 1wh6 n TYR 14 N -4.48 0.21 -2.10 -0.22 4.01 -1.05 -5.05 117.16 108.49 1wh6 n TYR 14 Ca 0.05 0.09 -0.30 0.00 -0.16 0.00 0.00 57.90 57.58 1wh6 n TYR 14 Cb 0.16 -0.65 0.00 0.00 -0.31 0.00 0.00 39.34 38.54 1wh6 n TYR 14 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1wh6 s ARG 15 N -2.71 3.63 0.34 -0.72 3.00 -1.03 -5.09 118.95 116.38 1wh6 s ARG 15 Ca -0.28 0.66 0.05 0.00 -1.00 0.00 0.00 55.73 55.15 1wh6 s ARG 15 Cb 0.05 -2.15 -0.01 0.00 0.00 0.00 0.00 34.95 32.84 1wh6 s ARG 15 CO 0.41 -0.45 0.50 -1.21 0.00 0.00 0.00 175.30 174.54 1wh6 s GLU 16 N -4.94 3.17 0.05 5.12 2.02 -1.26 -4.65 118.70 118.20 1wh6 s GLU 16 Ca 0.54 -0.84 -0.02 0.00 0.02 0.00 0.00 54.97 54.67 1wh6 s GLU 16 Cb -0.11 -2.77 -0.03 0.00 0.10 0.00 0.00 34.13 31.32 1wh6 s GLU 16 CO 0.49 0.05 0.00 0.54 0.02 0.00 0.00 175.26 176.37 1wh6 s VAL 17 N -2.23 0.20 -0.68 2.63 0.11 -1.26 -5.09 120.40 114.08 1wh6 s VAL 17 Ca 0.44 -1.66 -0.22 0.00 -2.93 0.00 0.00 61.98 57.61 1wh6 s VAL 17 Cb -0.10 -1.42 0.08 0.00 -1.53 0.00 0.00 36.38 33.41 1wh6 s VAL 17 CO 0.32 -0.92 0.96 -1.81 -3.33 0.00 0.00 175.10 170.33 1wh6 s ASP 18 N -2.82 6.21 0.58 3.54 1.01 -1.26 -4.62 116.67 119.31 1wh6 s ASP 18 Ca 0.05 -1.12 0.32 0.00 0.71 0.00 0.00 52.55 52.52 1wh6 s ASP 18 Cb 0.06 -2.41 1.79 0.00 1.01 0.00 0.00 42.92 43.38 1wh6 s ASP 18 CO -0.10 -1.39 2.20 0.71 0.21 0.00 0.00 175.17 176.81 1wh6 h THR 19 N 5.97 0.42 -0.02 -1.27 1.35 -1.97 0.32 112.91 117.71 1wh6 h THR 19 Ca -0.25 -0.21 -0.24 0.00 -0.55 0.00 0.00 66.41 65.16 1wh6 h THR 19 Cb 1.07 1.14 0.02 0.00 -1.73 0.00 0.00 68.15 68.65 1wh6 h THR 19 CO 1.17 0.04 -0.94 -0.07 -0.25 0.00 0.00 175.52 175.47 1wh6 h LEU 20 N 0.00 0.86 -0.29 3.87 -0.00 -1.91 -2.25 115.31 115.59 1wh6 h LEU 20 Ca -0.00 -0.73 -0.20 0.00 -0.00 0.00 0.00 57.88 56.95 1wh6 h LEU 20 Cb 0.14 -0.26 -0.00 0.00 -0.00 0.00 0.00 40.66 40.53 1wh6 h LEU 20 CO 0.01 1.47 -0.86 -0.08 -0.00 0.00 0.00 178.44 178.98 1wh6 h GLU 21 N 0.33 0.32 0.38 1.13 4.22 -1.84 -2.72 114.58 116.40 1wh6 h GLU 21 Ca -0.11 -0.32 -0.00 0.00 0.08 0.00 0.00 59.36 59.01 1wh6 h GLU 21 Cb 1.60 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.91 1wh6 h GLU 21 CO 0.19 1.00 -0.38 1.25 -2.18 0.00 0.00 179.01 178.88 1wh6 h LEU 22 N 0.19 -1.04 -1.16 1.64 5.85 -0.99 0.13 115.31 119.93 1wh6 h LEU 22 Ca -0.05 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1wh6 h LEU 22 Cb 1.47 0.35 -0.05 0.00 0.37 0.00 0.00 40.66 42.80 1wh6 h LEU 22 CO 0.14 -0.53 0.58 0.71 -0.34 0.00 0.00 178.44 179.00 1wh6 h THR 23 N -0.79 1.14 0.36 1.05 1.35 -1.47 -0.93 112.91 113.63 1wh6 h THR 23 Ca -0.03 -0.37 -0.01 0.00 -0.55 0.00 0.00 66.41 65.45 1wh6 h THR 23 Cb 0.71 -0.04 -0.02 0.00 -1.73 0.00 0.00 68.15 67.06 1wh6 h THR 23 CO -0.07 0.20 -0.44 0.03 -0.25 0.00 0.00 175.52 174.99 1wh6 h ARG 24 N 1.09 -0.79 -0.62 4.72 3.08 -1.11 0.93 114.38 121.69 1wh6 h ARG 24 Ca 0.35 0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.58 1wh6 h ARG 24 Cb 0.03 0.18 -0.11 0.00 0.08 0.00 0.00 29.97 30.15 1wh6 h ARG 24 CO -0.11 -0.53 -0.01 1.96 -1.07 0.00 0.00 179.97 180.22 1wh6 h GLN 25 N -0.82 0.10 0.77 0.04 1.08 -0.35 -0.23 115.11 115.70 1wh6 h GLN 25 Ca -0.04 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 1wh6 h GLN 25 Cb 0.73 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1wh6 h GLN 25 CO -0.09 0.07 -0.45 0.28 -0.95 0.00 0.00 178.83 177.68 1wh6 h VAL 26 N 0.11 0.09 -0.83 -0.54 2.07 -1.08 -0.46 116.25 115.61 1wh6 h VAL 26 Ca 0.32 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.00 1wh6 h VAL 26 Cb 0.52 0.09 -0.10 0.00 -1.52 0.00 0.00 31.29 30.28 1wh6 h VAL 26 CO -0.54 0.00 0.39 0.11 0.02 0.00 0.00 177.57 177.55 1wh6 h LYS 27 N -1.14 0.51 0.31 1.57 1.57 -0.08 -0.51 116.57 118.80 1wh6 h LYS 27 Ca -0.10 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1wh6 h LYS 27 Cb 0.91 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1wh6 h LYS 27 CO 0.12 0.34 -0.15 0.93 -0.57 0.00 0.00 179.45 180.12 1wh6 h GLU 28 N 0.53 -0.40 -0.72 3.15 5.08 -0.90 -0.58 114.58 120.74 1wh6 h GLU 28 Ca 0.46 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.90 1wh6 h GLU 28 Cb 0.72 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 1wh6 h GLU 28 CO -0.40 -0.12 0.47 -0.22 -1.00 0.00 0.00 179.01 177.74 1wh6 h LYS 29 N -0.66 0.77 0.12 2.33 3.64 -0.58 0.94 116.57 123.14 1wh6 h LYS 29 Ca -0.04 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1wh6 h LYS 29 Cb 0.46 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1wh6 h LYS 29 CO 0.07 0.51 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.63 1wh6 h LEU 30 N 0.80 -0.13 -0.89 5.20 3.38 -1.09 -3.25 115.31 119.32 1wh6 h LEU 30 Ca 0.30 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1wh6 h LEU 30 Cb 0.18 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1wh6 h LEU 30 CO -0.10 0.20 0.55 0.00 0.09 0.00 0.00 178.44 179.19 1wh6 h ALA 31 N 0.35 1.14 0.00 1.53 0.00 -0.27 -0.90 119.26 121.11 1wh6 h ALA 31 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1wh6 h ALA 31 Cb 0.39 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1wh6 h ALA 31 CO 0.03 0.58 0.00 1.63 0.00 0.00 0.00 179.25 181.49 1wh6 n LYS 32 N -4.42 0.01 0.00 0.00 4.76 0.25 -1.68 118.16 117.08 1wh6 n LYS 32 Ca 0.10 0.42 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 1wh6 n LYS 32 Cb 0.04 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 1wh6 n LYS 32 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1wh6 n ASN 33 N -1.46 0.87 -3.09 4.39 5.03 -0.74 -5.02 115.26 115.25 1wh6 n ASN 33 Ca 0.01 -1.16 -0.23 0.00 0.87 0.00 0.00 54.58 54.07 1wh6 n ASN 33 Cb 0.02 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 38.82 1wh6 n ASN 33 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wh6 n GLY 34 N -0.08 -0.53 3.66 7.41 0.00 -0.68 -4.98 105.19 110.00 1wh6 n GLY 34 Ca 0.00 0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.20 5.04 -0.11 -0.61 1.01 -0.42 -5.02 121.20 117.89 1wh6 s ILE 35 Ca 0.34 1.15 -0.29 0.00 0.00 0.00 0.00 60.65 61.85 1wh6 s ILE 35 Cb -0.15 -3.93 -0.06 0.00 0.01 0.00 0.00 42.46 38.33 1wh6 s ILE 35 CO 0.42 0.14 1.97 0.00 0.00 0.00 0.00 174.94 177.47 1wh6 h GLN 37 N 12.21 0.00 0.80 0.00 7.50 -1.95 -1.99 115.11 131.67 1wh6 h GLN 37 Ca -0.43 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 58.69 1wh6 h GLN 37 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.75 1wh6 h GLN 37 CO 0.96 0.00 -0.44 -0.09 -1.50 0.00 0.00 178.83 177.76 1wh6 h ARG 38 N 0.00 -1.11 -0.46 1.46 2.43 -1.91 -0.10 114.38 114.68 1wh6 h ARG 38 Ca 0.05 0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 1wh6 h ARG 38 Cb 0.28 0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1wh6 h ARG 38 CO -0.00 -0.74 -0.04 0.82 -1.51 0.00 0.00 179.97 178.51 1wh6 h ILE 39 N -1.15 1.25 -0.25 1.20 2.04 -1.82 0.03 117.51 118.81 1wh6 h ILE 39 Ca -0.11 -1.06 0.06 0.00 1.00 0.00 0.00 64.86 64.75 1wh6 h ILE 39 Cb 0.91 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.86 1wh6 h ILE 39 CO 0.14 0.37 -0.13 0.15 0.00 0.00 0.00 178.15 178.68 1wh6 h PHE 40 N 0.73 -0.32 -0.61 1.37 3.57 -1.35 -0.37 116.94 119.97 1wh6 h PHE 40 Ca 0.14 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1wh6 h PHE 40 Cb 0.50 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 1wh6 h PHE 40 CO 0.03 -0.20 0.40 0.78 -2.23 0.00 0.00 178.31 177.09 1wh6 h GLY 41 N -0.10 0.85 0.88 2.40 0.00 -0.03 0.85 103.07 107.93 1wh6 h GLY 41 Ca 0.13 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 1wh6 h GLY 41 CO -0.31 0.32 0.02 -2.09 0.00 0.00 0.00 176.54 174.47 1wh6 h GLU 42 N 0.82 0.06 0.00 4.80 4.81 -0.72 0.32 114.58 124.68 1wh6 h GLU 42 Ca 0.22 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1wh6 h GLU 42 Cb -0.09 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1wh6 h GLU 42 CO -0.05 0.17 -0.44 1.63 -0.73 0.00 0.00 179.01 179.59 1wh6 n LYS 43 N -4.99 0.38 0.33 1.92 5.02 -0.17 -3.40 118.16 117.23 1wh6 n LYS 43 Ca -0.07 0.47 -0.13 0.00 -2.02 0.00 0.00 58.31 56.57 1wh6 n LYS 43 Cb 0.09 -1.53 -0.06 0.00 -0.02 0.00 0.00 35.03 33.50 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 -0.84 0.00 -0.16 -0.18 2.07 -1.01 -3.30 116.25 112.83 1wh6 h VAL 44 Ca 0.00 -0.18 -0.19 0.00 0.82 0.00 0.00 66.70 67.16 1wh6 h VAL 44 Cb 0.44 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1wh6 h VAL 44 CO 0.00 0.00 -0.66 -0.07 0.02 0.00 0.00 177.57 176.86 1wh6 h LEU 45 N -1.03 0.71 0.00 2.57 3.38 -1.18 -3.48 115.31 116.28 1wh6 h LEU 45 Ca -0.09 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1wh6 h LEU 45 Cb 0.65 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1wh6 h LEU 45 CO 0.14 1.18 0.00 0.61 0.09 0.00 0.00 178.44 180.47 1wh6 n GLY 46 N 0.47 0.89 3.98 0.83 0.00 0.97 -4.85 105.19 107.48 1wh6 n GLY 46 Ca -0.05 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 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 4.10 0.62 0.99 1.43 -0.22 -4.90 118.68 120.70 1wh6 s LEU 47 Ca 0.00 -0.09 -0.19 0.00 -1.03 0.00 0.00 54.13 52.82 1wh6 s LEU 47 Cb 0.00 -2.78 -0.02 0.00 0.03 0.00 0.00 46.19 43.42 1wh6 s LEU 47 CO 0.00 -0.28 1.27 -0.55 0.23 0.00 0.00 176.35 177.02 1wh6 s SER 48 N -4.09 4.86 0.43 2.29 0.15 -1.26 -3.54 113.70 112.53 1wh6 s SER 48 Ca 0.40 2.56 0.11 0.00 0.70 0.00 0.00 55.95 59.72 1wh6 s SER 48 Cb -0.09 -2.61 0.92 0.00 -1.71 0.00 0.00 66.02 62.53 1wh6 s SER 48 CO 0.30 -1.83 2.01 0.06 1.20 0.00 0.00 173.24 174.98 1wh6 h GLN 49 N 0.75 0.25 0.17 5.44 3.07 -1.95 -1.55 115.11 121.29 1wh6 h GLN 49 Ca -0.51 -0.03 -0.32 0.00 0.09 0.00 0.00 58.65 57.88 1wh6 h GLN 49 Cb 1.32 -0.05 0.01 0.00 0.08 0.00 0.00 27.48 28.85 1wh6 h GLN 49 CO 0.54 0.28 -1.56 0.78 0.09 0.00 0.00 178.83 178.96 1wh6 h GLY 50 N 0.51 0.41 0.57 0.06 0.00 -1.98 -3.19 103.07 99.46 1wh6 h GLY 50 Ca 0.06 -1.06 0.05 0.00 0.00 0.00 0.00 47.33 46.39 1wh6 h GLY 50 CO 0.00 0.93 0.08 1.76 0.00 0.00 0.00 176.54 179.31 1wh6 h SER 51 N -0.05 0.03 0.13 0.19 0.02 -1.84 -0.58 113.55 111.46 1wh6 h SER 51 Ca -0.31 0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.62 1wh6 h SER 51 Cb 1.97 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 64.58 1wh6 h SER 51 CO 0.15 0.05 -0.26 1.62 -1.14 0.00 0.00 176.83 177.25 1wh6 h VAL 52 N 0.21 1.24 0.35 2.27 3.04 -1.46 -1.37 116.25 120.53 1wh6 h VAL 52 Ca 0.18 -1.13 -0.02 0.00 -1.01 0.00 0.00 66.70 64.72 1wh6 h VAL 52 Cb 0.20 1.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 1wh6 h VAL 52 CO -0.22 0.34 -0.17 -1.28 -1.01 0.00 0.00 177.57 175.23 1wh6 h SER 53 N 0.20 -0.39 -0.81 3.17 0.87 -1.26 -0.69 113.55 114.64 1wh6 h SER 53 Ca 0.03 -0.07 0.09 0.00 -1.23 0.00 0.00 61.79 60.62 1wh6 h SER 53 Cb 0.58 0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.58 1wh6 h SER 53 CO 0.04 -0.18 0.53 0.44 -0.53 0.00 0.00 176.83 177.13 1wh6 h ASP 54 N -0.59 0.70 0.74 6.23 3.32 -1.01 -1.04 116.42 124.77 1wh6 h ASP 54 Ca -0.05 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1wh6 h ASP 54 Cb 0.44 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.86 1wh6 h ASP 54 CO 0.08 0.42 -0.36 -0.03 -1.72 0.00 0.00 179.24 177.63 1wh6 h MET 55 N 0.78 -0.96 0.00 3.56 4.05 -0.82 -0.42 114.93 121.12 1wh6 h MET 55 Ca 0.37 0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.82 1wh6 h MET 55 Cb 0.41 0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.42 1wh6 h MET 55 CO -0.14 -0.64 -0.20 -0.07 0.23 0.00 0.00 176.91 176.08 1wh6 h LEU 56 N -1.04 0.00 0.02 3.39 3.38 -0.96 -1.69 115.31 118.41 1wh6 h LEU 56 Ca -0.10 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1wh6 h LEU 56 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1wh6 h LEU 56 CO 0.17 0.20 -0.13 -1.28 0.09 0.00 0.00 178.44 177.49 1wh6 h SER 57 N 0.00 0.09 -2.05 -0.43 0.87 -1.20 -3.44 113.55 107.39 1wh6 h SER 57 Ca -0.00 -0.92 -0.56 0.00 -1.23 0.00 0.00 61.79 59.07 1wh6 h SER 57 Cb 0.37 -0.03 -0.39 0.00 -0.44 0.00 0.00 62.40 61.92 1wh6 h SER 57 CO 0.03 1.00 -1.08 -2.11 -0.53 0.00 0.00 176.83 174.14 1wh6 n ARG 58 N -4.56 0.61 -0.76 2.24 1.85 -0.17 -5.09 116.66 110.78 1wh6 n ARG 58 Ca -0.10 -3.20 -0.29 0.00 -1.00 0.00 0.00 57.85 53.26 1wh6 n ARG 58 Cb 0.51 -1.30 0.24 0.00 -1.05 0.00 0.00 32.46 30.85 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 -0.93 -0.86 0.22 2.89 0.04 -0.64 -4.64 135.00 131.07 1wh6 s PRO 59 Ca 0.35 0.55 0.05 0.00 0.04 0.00 0.00 61.00 61.99 1wh6 s PRO 59 Cb 0.15 -1.58 -0.03 0.00 0.04 0.00 0.00 34.50 33.07 1wh6 s PRO 59 CO -0.13 -3.61 0.28 0.15 0.04 0.00 0.00 177.00 173.73 1wh6 s LYS 60 N -4.76 3.23 0.75 4.56 1.02 -1.26 -5.05 119.74 118.23 1wh6 s LYS 60 Ca 0.68 -0.84 -0.12 0.00 0.02 0.00 0.00 55.97 55.71 1wh6 s LYS 60 Cb -0.20 -2.78 0.05 0.00 -0.52 0.00 0.00 37.83 34.38 1wh6 s LYS 60 CO 0.61 0.44 1.11 -1.25 -0.92 0.00 0.00 175.35 175.34 1wh6 s PRO 61 N -3.74 2.25 0.37 -1.68 0.04 -1.26 -4.81 135.00 126.17 1wh6 s PRO 61 Ca 0.33 1.31 0.07 0.00 0.04 0.00 0.00 61.00 62.76 1wh6 s PRO 61 Cb -0.09 -1.89 0.78 0.00 0.04 0.00 0.00 34.50 33.34 1wh6 s PRO 61 CO 0.27 -1.66 1.94 2.35 0.04 0.00 0.00 177.00 179.94 1wh6 h TRP 62 N -0.84 0.74 0.00 0.56 2.91 -1.93 -0.84 115.95 116.55 1wh6 h TRP 62 Ca -0.45 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 59.58 1wh6 h TRP 62 Cb 1.24 -0.24 -0.00 0.00 -0.51 0.00 0.00 29.16 29.65 1wh6 h TRP 62 CO 0.55 0.37 -0.05 0.77 -1.03 0.00 0.00 178.44 179.05 1wh6 h SER 63 N 0.71 0.00 0.60 2.65 0.02 -1.94 -2.03 113.55 113.57 1wh6 h SER 63 Ca 0.33 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 61.00 1wh6 h SER 63 Cb 0.37 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1wh6 h SER 63 CO -0.12 0.05 -1.37 0.11 -1.14 0.00 0.00 176.83 174.37 1wh6 h LYS 64 N 0.00 0.20 -6.25 3.45 1.79 -1.51 -3.46 116.57 110.78 1wh6 h LYS 64 Ca -0.00 -0.34 -0.56 0.00 -2.18 0.00 0.00 60.65 57.58 1wh6 h LYS 64 Cb 0.14 0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.88 1wh6 h LYS 64 CO 0.01 1.08 0.77 -0.51 -1.08 0.00 0.00 179.45 179.72 1wh6 s LEU 65 N -6.92 4.24 1.01 2.94 1.43 -0.76 -5.04 118.68 115.57 1wh6 s LEU 65 Ca -0.05 1.76 -0.16 0.00 -1.03 0.00 0.00 54.13 54.64 1wh6 s LEU 65 Cb 0.07 -3.55 0.21 0.00 0.03 0.00 0.00 46.19 42.96 1wh6 s LEU 65 CO 0.86 -0.64 1.27 0.42 0.23 0.00 0.00 176.35 178.49 1wh6 s THR 66 N 2.65 1.92 0.23 5.49 -4.23 -1.26 -4.67 115.64 115.77 1wh6 s THR 66 Ca 0.55 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 61.00 1wh6 s THR 66 Cb -0.23 -2.89 0.19 0.00 1.34 0.00 0.00 72.50 70.90 1wh6 s THR 66 CO 0.19 0.00 1.74 1.56 -0.54 0.00 0.00 174.62 177.57 1wh6 h GLN 67 N -1.82 0.46 0.00 3.99 7.50 -1.97 0.24 115.11 123.51 1wh6 h GLN 67 Ca -0.45 -0.03 -0.02 0.00 0.50 0.00 0.00 58.65 58.66 1wh6 h GLN 67 Cb 1.25 -0.10 -0.00 0.00 0.05 0.00 0.00 27.48 28.67 1wh6 h GLN 67 CO 0.38 0.30 -0.08 -0.22 -1.50 0.00 0.00 178.83 177.72 1wh6 h LYS 68 N 0.47 0.00 0.00 1.46 3.11 -2.02 -2.58 116.57 117.02 1wh6 h LYS 68 Ca 0.37 0.00 -0.18 0.00 -2.81 0.00 0.00 60.65 58.03 1wh6 h LYS 68 Cb 0.50 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.70 1wh6 h LYS 68 CO -0.35 0.08 -0.96 0.78 -2.81 0.00 0.00 179.45 176.20 1wh6 h GLY 69 N 2.56 0.00 2.00 5.01 0.00 -1.34 -3.33 103.07 107.97 1wh6 h GLY 69 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1wh6 h GLY 69 CO 0.01 0.00 -0.51 3.21 0.00 0.00 0.00 176.54 179.25 1wh6 h ARG 70 N 0.00 0.00 -0.84 4.80 3.08 -0.34 -3.38 114.38 117.70 1wh6 h ARG 70 Ca -0.06 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.14 1wh6 h ARG 70 Cb 1.65 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.55 1wh6 h ARG 70 CO 0.09 0.51 -0.33 0.93 -1.07 0.00 0.00 179.97 180.11 1wh6 h GLU 71 N 0.00 -0.05 -0.53 0.04 5.08 -1.58 0.16 114.58 117.70 1wh6 h GLU 71 Ca -0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1wh6 h GLU 71 Cb 1.33 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 1wh6 h GLU 71 CO 0.07 -0.03 -0.11 -1.00 -1.00 0.00 0.00 179.01 176.94 1wh6 h PRO 72 N -0.05 1.01 -0.75 2.33 0.13 -1.83 -2.25 132.00 130.60 1wh6 h PRO 72 Ca 0.33 -0.38 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1wh6 h PRO 72 Cb 0.59 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.63 1wh6 h PRO 72 CO -0.87 1.06 0.38 0.74 -0.23 0.00 0.00 178.00 179.08 1wh6 h PHE 73 N 0.89 1.06 -0.11 1.56 -1.00 -1.40 -0.38 116.94 117.55 1wh6 h PHE 73 Ca 0.14 -0.04 0.03 0.00 2.81 0.00 0.00 57.97 60.91 1wh6 h PHE 73 Cb 0.67 -0.33 -0.03 0.00 3.61 0.00 0.00 35.95 39.87 1wh6 h PHE 73 CO 0.05 0.77 -0.09 0.82 -1.61 0.00 0.00 178.31 178.24 1wh6 h ILE 74 N 1.04 0.73 -0.46 -0.55 2.04 -0.65 0.77 117.51 120.44 1wh6 h ILE 74 Ca 0.26 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.09 1wh6 h ILE 74 Cb 0.09 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1wh6 h ILE 74 CO -0.04 0.00 0.16 0.03 0.00 0.00 0.00 178.15 178.30 1wh6 h ARG 75 N -0.11 0.67 -0.05 2.37 3.08 -0.95 -0.23 114.38 119.16 1wh6 h ARG 75 Ca 0.07 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1wh6 h ARG 75 Cb 0.22 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1wh6 h ARG 75 CO -0.17 0.57 -0.08 0.52 -1.07 0.00 0.00 179.97 179.74 1wh6 h MET 76 N 0.66 -0.11 -0.67 0.04 2.86 -0.32 -0.35 114.93 117.03 1wh6 h MET 76 Ca 0.16 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1wh6 h MET 76 Cb 0.17 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 1wh6 h MET 76 CO -0.01 -0.07 0.40 1.96 1.06 0.00 0.00 176.91 180.25 1wh6 h GLN 77 N -0.12 0.91 0.42 1.72 4.20 -0.11 -2.73 115.11 119.41 1wh6 h GLN 77 Ca 0.05 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1wh6 h GLN 77 Cb 0.18 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1wh6 h GLN 77 CO -0.12 0.65 -0.20 -0.07 -0.67 0.00 0.00 178.83 178.42 1wh6 h LEU 78 N 0.91 -0.48 -1.77 1.46 3.38 -1.01 -3.24 115.31 114.56 1wh6 h LEU 78 Ca 0.24 -0.10 0.26 0.00 0.09 0.00 0.00 57.88 58.37 1wh6 h LEU 78 Cb -0.02 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1wh6 h LEU 78 CO -0.04 -0.15 0.66 -0.25 0.09 0.00 0.00 178.44 178.74 1wh6 h TRP 79 N -0.83 0.24 -0.15 1.13 7.01 -0.87 0.40 115.95 122.88 1wh6 h TRP 79 Ca -0.06 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.00 1wh6 h TRP 79 Cb 0.55 -0.07 -0.06 0.00 -2.10 0.00 0.00 29.16 27.48 1wh6 h TRP 79 CO 0.01 0.05 -0.21 -0.07 -2.79 0.00 0.00 178.44 175.42 1wh6 h LEU 80 N 0.17 -0.65 0.00 0.65 3.38 -1.51 -2.03 115.31 115.32 1wh6 h LEU 80 Ca 0.48 0.11 -0.24 0.00 0.09 0.00 0.00 57.88 58.33 1wh6 h LEU 80 Cb 1.61 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 42.62 1wh6 h LEU 80 CO -0.10 -0.26 -1.58 -1.20 0.09 0.00 0.00 178.44 175.40 1wh6 n SER 81 N -5.35 1.91 -0.11 -0.43 7.64 -0.26 -4.59 113.62 112.43 1wh6 n SER 81 Ca -0.02 0.40 0.01 0.00 1.01 0.00 0.00 58.87 60.27 1wh6 n SER 81 Cb 0.26 -0.85 0.29 0.00 -1.01 0.00 0.00 64.21 62.90 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 -1.00 0.69 0.00 6.43 3.58 -0.41 -3.46 116.42 122.24 1wh6 h ASP 82 Ca -0.36 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1wh6 h ASP 82 Cb 1.23 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.11 1wh6 h ASP 82 CO -0.22 0.57 0.00 0.00 -2.88 0.00 0.00 179.24 176.71 1wh6 n GLN 83 N -4.38 0.00 -3.77 0.28 6.02 -0.76 -4.13 117.38 110.63 1wh6 n GLN 83 Ca 0.05 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.78 1wh6 n GLN 83 Cb 0.11 -4.26 0.00 0.00 1.02 0.00 0.00 30.24 27.11 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 -1.83 -3.40 1.08 4.32 -1.26 -4.84 117.00 111.07 1wh6 n LEU 84 Ca 0.00 -0.91 -0.40 0.00 -0.02 0.00 0.00 56.01 54.69 1wh6 n LEU 84 Cb 0.00 -1.58 -0.02 0.00 -1.62 0.00 0.00 43.42 40.20 1wh6 n LEU 84 CO 0.00 0.38 3.01 0.61 -1.22 0.00 0.00 177.39 180.17 1wh6 n GLY 85 N -1.51 4.60 0.00 -0.72 0.00 -1.26 -4.45 105.19 101.85 1wh6 n GLY 85 Ca -0.31 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1wh6 n GLY 85 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wh6 n GLN 86 N 3.10 0.00 -3.64 1.61 6.02 -1.26 -5.03 117.38 118.17 1wh6 n GLN 86 Ca 0.71 0.20 -0.11 0.00 -0.01 0.00 0.00 57.00 57.80 1wh6 n GLN 86 Cb 0.25 -1.07 -0.07 0.00 1.02 0.00 0.00 30.24 30.37 1wh6 n GLN 86 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wh6 s ALA 87 N -2.73 -1.73 0.05 -1.58 0.00 -1.26 -5.16 121.76 109.34 1wh6 s ALA 87 Ca 0.00 2.11 0.03 0.00 0.00 0.00 0.00 51.96 54.11 1wh6 s ALA 87 Cb 0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 1wh6 s ALA 87 CO 0.00 -0.34 -0.10 0.08 0.00 0.00 0.00 175.76 175.40 1wh6 s VAL 88 N 0.95 0.74 0.00 0.00 1.01 -1.26 -5.01 120.40 116.84 1wh6 s VAL 88 Ca -0.05 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 60.82 1wh6 s VAL 88 Cb -0.05 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1wh6 s VAL 88 CO -0.09 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.33 1wh6 n GLY 89 N 1.48 0.04 2.66 4.51 0.00 -1.26 -5.14 105.19 107.47 1wh6 n GLY 89 Ca -0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 0.16 0.71 1.61 0.74 -1.26 -5.14 119.66 116.48 1wh6 s GLN 90 Ca 0.00 -0.09 -0.12 0.00 0.05 0.00 0.00 55.36 55.20 1wh6 s GLN 90 Cb 0.00 -1.33 0.02 0.00 1.10 0.00 0.00 33.01 32.79 1wh6 s GLN 90 CO 0.00 -0.79 1.08 -0.65 -0.55 0.00 0.00 175.29 174.38 1wh6 s GLN 91 N 2.22 2.71 -1.07 1.67 -0.21 -1.26 -4.98 119.66 118.74 1wh6 s GLN 91 Ca 0.06 1.14 -0.23 0.00 0.02 0.00 0.00 55.36 56.35 1wh6 s GLN 91 Cb -0.16 -1.95 -0.02 0.00 1.00 0.00 0.00 33.01 31.88 1wh6 s GLN 91 CO -0.19 -1.29 1.80 -1.25 -2.12 0.00 0.00 175.29 172.24 1wh6 s PRO 92 N -4.71 3.01 0.08 2.91 0.04 -1.26 -4.97 135.00 130.10 1wh6 s PRO 92 Ca 0.61 -0.99 -0.34 0.00 0.04 0.00 0.00 61.00 60.32 1wh6 s PRO 92 Cb -0.16 -5.26 -0.13 0.00 0.04 0.00 0.00 34.50 28.99 1wh6 s PRO 92 CO 0.51 -3.09 1.71 0.41 0.04 0.00 0.00 177.00 176.57 1wh6 n GLY 93 N 6.34 1.31 0.00 0.56 0.00 -1.26 -4.78 105.19 107.36 1wh6 n GLY 93 Ca 0.41 0.73 0.00 0.00 0.00 0.00 0.00 46.02 47.16 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 4.73 0.00 -3.77 4.61 0.00 -1.26 -5.21 120.51 119.62 1wh6 n ALA 94 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1wh6 n ALA 94 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1wh6 n ALA 94 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wh6 s SER 95 N 0.00 -0.05 0.02 0.00 0.01 -1.26 -5.19 113.70 107.23 1wh6 s SER 95 Ca 0.00 -0.28 -0.19 0.00 1.31 0.00 0.00 55.95 56.79 1wh6 s SER 95 Cb 0.00 0.26 0.04 0.00 0.21 0.00 0.00 66.02 66.53 1wh6 s SER 95 CO 0.00 -0.49 0.43 -0.44 0.41 0.00 0.00 173.24 173.14 1wh6 s SER 96 N -3.25 -0.32 0.33 2.44 0.01 -1.26 -5.18 113.70 106.48 1wh6 s SER 96 Ca 0.19 0.13 0.10 0.00 1.31 0.00 0.00 55.95 57.68 1wh6 s SER 96 Cb 0.01 0.41 -0.06 0.00 0.21 0.00 0.00 66.02 66.60 1wh6 s SER 96 CO -0.01 -0.60 -0.06 -0.83 0.41 0.00 0.00 173.24 172.15 1wh6 s GLY 97 N -1.71 2.09 0.79 3.44 0.00 -1.26 -5.15 107.32 105.52 1wh6 s GLY 97 Ca -0.08 -2.00 -0.11 0.00 0.00 0.00 0.00 44.72 42.53 1wh6 s GLY 97 CO 0.01 -1.96 1.09 2.56 0.00 0.00 0.00 173.10 174.80 1wh6 s PRO 98 N -3.64 2.14 0.06 2.90 0.04 -1.26 -5.08 135.00 130.16 1wh6 s PRO 98 Ca 0.33 1.14 -0.15 0.00 0.04 0.00 0.00 61.00 62.36 1wh6 s PRO 98 Cb 0.00 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.68 1wh6 s PRO 98 CO 0.17 -1.72 0.34 0.45 0.04 0.00 0.00 177.00 176.29 1wh6 s SER 99 N -3.39 -0.17 -0.02 6.66 0.15 -1.26 -5.05 113.70 110.62 1wh6 s SER 99 Ca 0.61 -0.18 0.03 0.00 0.70 0.00 0.00 55.95 57.11 1wh6 s SER 99 Cb -0.17 0.40 0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1wh6 s SER 99 CO 0.56 -0.67 0.85 -1.20 1.20 0.00 0.00 173.24 173.98 1wh6 n SER 100 N 0.39 0.59 0.00 5.45 7.64 -1.26 -5.35 113.62 121.08 1wh6 n SER 100 Ca -0.18 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 57.89 1wh6 n SER 100 Cb 0.60 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1wh6 n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64