#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh7 n SER 2 N 0.00 -3.67 -3.46 1.61 2.88 -1.26 -5.09 113.62 104.63 1wh7 n SER 2 Ca 0.00 0.81 -0.37 0.00 -1.33 0.00 0.00 58.87 57.98 1wh7 n SER 2 Cb 0.00 3.47 0.04 0.00 -0.75 0.00 0.00 64.21 66.96 1wh7 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wh7 n SER 3 N -3.34 -5.68 -4.66 -3.46 7.64 -1.26 -4.98 113.62 97.88 1wh7 n SER 3 Ca 0.00 -0.12 -0.29 0.00 1.01 0.00 0.00 58.87 59.47 1wh7 n SER 3 Cb 0.00 -1.95 -0.10 0.00 -1.01 0.00 0.00 64.21 61.16 1wh7 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wh7 s GLY 4 N -1.59 2.61 0.26 0.23 0.00 -1.26 -5.14 107.32 102.43 1wh7 s GLY 4 Ca 0.37 -1.86 -0.09 0.00 0.00 0.00 0.00 44.72 43.13 1wh7 s GLY 4 CO 0.87 -2.10 0.58 -1.35 0.00 0.00 0.00 173.10 171.10 1wh7 s SER 5 N -3.77 6.60 -0.15 1.64 1.04 -1.26 -5.08 113.70 112.71 1wh7 s SER 5 Ca 0.29 0.93 -0.01 0.00 0.48 0.00 0.00 55.95 57.64 1wh7 s SER 5 Cb 0.08 -2.23 0.04 0.00 0.10 0.00 0.00 66.02 64.01 1wh7 s SER 5 CO 0.15 -0.13 -0.02 -0.94 0.98 0.00 0.00 173.24 173.29 1wh7 s SER 6 N -2.55 2.60 0.00 7.02 1.04 -1.26 -4.89 113.70 115.66 1wh7 s SER 6 Ca 0.48 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1wh7 s SER 6 Cb -0.11 -0.73 0.00 0.00 0.10 0.00 0.00 66.02 65.28 1wh7 s SER 6 CO 0.23 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.84 1wh7 n GLY 7 N 4.98 1.99 3.56 7.32 0.00 -1.26 -4.86 105.19 116.91 1wh7 n GLY 7 Ca -0.10 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 1wh7 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh7 s SER 8 N 0.00 5.86 -0.17 1.61 0.01 -1.26 -4.96 113.70 114.79 1wh7 s SER 8 Ca 0.00 -0.91 -0.21 0.00 1.31 0.00 0.00 55.95 56.14 1wh7 s SER 8 Cb 0.00 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 1wh7 s SER 8 CO 0.00 -2.07 0.61 0.21 0.41 0.00 0.00 173.24 172.40 1wh7 s ASN 9 N 6.24 6.71 -1.22 2.44 2.47 -1.26 -4.88 114.94 125.44 1wh7 s ASN 9 Ca 0.56 0.86 -0.20 0.00 0.42 0.00 0.00 52.86 54.49 1wh7 s ASN 9 Cb -0.04 -2.34 -0.02 0.00 -1.45 0.00 0.00 41.25 37.40 1wh7 s ASN 9 CO -0.01 -0.21 1.88 -0.81 -3.72 0.00 0.00 177.10 174.22 1wh7 n PRO 10 N 4.70 2.37 -1.36 0.43 -0.04 -1.26 -4.91 135.00 134.94 1wh7 n PRO 10 Ca -0.02 -2.76 -0.56 0.00 -0.04 0.00 0.00 63.50 60.12 1wh7 n PRO 10 Cb 0.50 -3.52 -0.10 0.00 -0.04 0.00 0.00 33.50 30.35 1wh7 n PRO 10 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wh7 n SER 11 N 10.51 1.44 -3.94 3.54 7.64 -1.26 -4.87 113.62 126.67 1wh7 n SER 11 Ca 0.48 0.57 -0.30 0.00 1.01 0.00 0.00 58.87 60.63 1wh7 n SER 11 Cb 0.45 -1.07 -0.14 0.00 -1.01 0.00 0.00 64.21 62.43 1wh7 n SER 11 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wh7 s SER 12 N 6.51 4.35 0.03 6.43 1.04 -1.26 -5.07 113.70 125.73 1wh7 s SER 12 Ca 1.14 -2.77 0.00 0.00 0.48 0.00 0.00 55.95 54.80 1wh7 s SER 12 Cb -1.19 -1.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.33 1wh7 s SER 12 CO 0.58 -0.27 -0.04 -0.94 0.98 0.00 0.00 173.24 173.56 1wh7 s SER 13 N 0.05 0.37 0.00 7.02 1.04 -1.26 -5.06 113.70 115.87 1wh7 s SER 13 Ca 0.16 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1wh7 s SER 13 Cb -0.24 0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1wh7 s SER 13 CO -0.02 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1wh7 n GLY 14 N 1.42 4.80 3.90 7.32 0.00 -1.26 -5.20 105.19 116.16 1wh7 n GLY 14 Ca -0.23 -0.60 -0.01 0.00 0.00 0.00 0.00 46.02 45.18 1wh7 n GLY 14 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wh7 s GLY 15 N 0.00 -0.04 0.59 -0.02 0.00 -1.26 -5.17 107.32 101.42 1wh7 s GLY 15 Ca 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 44.72 44.56 1wh7 s GLY 15 CO 0.00 3.35 0.92 -1.08 0.00 0.00 0.00 173.10 176.30 1wh7 s THR 16 N -2.18 4.05 0.23 0.90 -1.32 -1.26 -4.94 115.64 111.12 1wh7 s THR 16 Ca 0.24 0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.96 1wh7 s THR 16 Cb -0.01 -3.61 0.00 0.00 -1.51 0.00 0.00 72.50 67.37 1wh7 s THR 16 CO 0.02 -0.67 0.00 0.41 -2.21 0.00 0.00 174.62 172.17 1wh7 n THR 17 N -2.60 0.00 -1.20 5.08 -1.04 -1.26 -5.15 114.28 108.11 1wh7 n THR 17 Ca 0.04 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.02 1wh7 n THR 17 Cb 0.56 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.10 1wh7 n THR 17 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1wh7 n LYS 18 N -3.10 -0.09 -3.88 -2.82 4.76 -1.26 -5.07 118.16 106.69 1wh7 n LYS 18 Ca 0.00 -0.24 -0.29 0.00 -2.87 0.00 0.00 58.31 54.91 1wh7 n LYS 18 Cb 0.00 -0.15 -0.16 0.00 -1.84 0.00 0.00 35.03 32.88 1wh7 n LYS 18 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1wh7 s ARG 19 N -3.28 1.36 -0.31 1.97 1.70 -1.26 -5.10 118.95 114.03 1wh7 s ARG 19 Ca 0.08 -0.76 -0.10 0.00 -0.47 0.00 0.00 55.73 54.49 1wh7 s ARG 19 Cb -0.00 -2.36 -0.01 0.00 -0.57 0.00 0.00 34.95 32.01 1wh7 s ARG 19 CO 0.06 -0.57 0.16 0.12 -1.08 0.00 0.00 175.30 173.99 1wh7 s PHE 20 N 1.55 3.18 -0.30 5.89 5.36 -1.26 -5.02 117.98 127.39 1wh7 s PHE 20 Ca -0.03 -0.47 -0.11 0.00 -0.96 0.00 0.00 56.93 55.36 1wh7 s PHE 20 Cb -0.18 -2.36 0.18 0.00 -0.34 0.00 0.00 43.02 40.32 1wh7 s PHE 20 CO -0.07 -0.42 0.94 0.50 -1.46 0.00 0.00 175.22 174.72 1wh7 s ARG 21 N 1.64 0.28 0.02 10.12 3.52 -1.26 -5.17 118.95 128.10 1wh7 s ARG 21 Ca 0.05 0.53 0.01 0.00 -0.13 0.00 0.00 55.73 56.19 1wh7 s ARG 21 Cb -0.17 0.30 -0.02 0.00 -1.56 0.00 0.00 34.95 33.51 1wh7 s ARG 21 CO 0.07 -0.28 -0.04 0.95 -0.81 0.00 0.00 175.30 175.19 1wh7 s THR 22 N 2.86 0.28 -0.13 4.11 -4.23 -1.26 -5.14 115.64 112.13 1wh7 s THR 22 Ca 0.03 -0.69 0.01 0.00 -1.18 0.00 0.00 61.69 59.87 1wh7 s THR 22 Cb -0.11 -0.34 0.02 0.00 1.34 0.00 0.00 72.50 73.41 1wh7 s THR 22 CO -0.14 -0.27 -0.14 -0.75 -0.54 0.00 0.00 174.62 172.78 1wh7 s LYS 23 N -1.01 2.20 0.41 3.99 2.47 -1.26 -5.13 119.74 121.41 1wh7 s LYS 23 Ca -0.08 -0.53 0.03 0.00 -1.56 0.00 0.00 55.97 53.83 1wh7 s LYS 23 Cb -0.07 -1.98 -0.03 0.00 -1.46 0.00 0.00 37.83 34.29 1wh7 s LYS 23 CO -0.00 -0.18 0.10 -0.06 0.16 0.00 0.00 175.35 175.37 1wh7 s PHE 24 N 1.32 1.83 0.13 4.03 0.08 -1.26 -5.16 117.98 118.95 1wh7 s PHE 24 Ca 0.01 -1.18 0.04 0.00 0.12 0.00 0.00 56.93 55.92 1wh7 s PHE 24 Cb -0.14 -1.24 -0.04 0.00 -0.57 0.00 0.00 43.02 41.04 1wh7 s PHE 24 CO -0.07 -0.17 0.11 -0.08 -0.10 0.00 0.00 175.22 174.91 1wh7 s THR 25 N -3.18 4.52 0.19 0.64 -1.32 -1.26 -4.99 115.64 110.24 1wh7 s THR 25 Ca 0.24 -0.93 -0.24 0.00 -1.21 0.00 0.00 61.69 59.55 1wh7 s THR 25 Cb 0.04 -3.25 0.09 0.00 -1.51 0.00 0.00 72.50 67.86 1wh7 s THR 25 CO 0.13 -0.00 1.53 0.00 -2.21 0.00 0.00 174.62 174.07 1wh7 n ALA 26 N 0.01 -0.37 -0.35 11.08 0.00 -1.26 0.14 120.51 129.76 1wh7 n ALA 26 Ca -0.08 0.91 -0.05 0.00 0.00 0.00 0.00 53.44 54.22 1wh7 n ALA 26 Cb 0.53 -0.29 -0.02 0.00 0.00 0.00 0.00 19.45 19.67 1wh7 n ALA 26 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wh7 n GLU 27 N -5.35 -0.28 0.08 0.00 4.07 -1.26 0.69 120.64 118.58 1wh7 n GLU 27 Ca 0.06 1.34 -0.14 0.00 -0.06 0.00 0.00 57.16 58.36 1wh7 n GLU 27 Cb 0.33 -1.97 -0.07 0.00 -0.06 0.00 0.00 31.44 29.66 1wh7 n GLU 27 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 1wh7 h GLN 28 N 0.00 -0.60 -0.38 5.31 4.20 -0.70 0.54 115.11 123.48 1wh7 h GLN 28 Ca 0.23 0.04 0.08 0.00 0.06 0.00 0.00 58.65 59.06 1wh7 h GLN 28 Cb 0.45 0.14 -0.08 0.00 0.30 0.00 0.00 27.48 28.28 1wh7 h GLN 28 CO -0.85 -0.40 -0.19 0.87 -0.67 0.00 0.00 178.83 177.59 1wh7 h LYS 29 N -0.62 -0.12 0.34 1.46 6.56 0.24 0.28 116.57 124.71 1wh7 h LYS 29 Ca 0.03 0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1wh7 h LYS 29 Cb 0.68 0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 32.33 1wh7 h LYS 29 CO -0.31 -0.08 -0.50 0.93 -2.06 0.00 0.00 179.45 177.43 1wh7 h GLU 30 N -0.13 -0.85 -0.59 3.15 5.08 0.11 0.84 114.58 122.19 1wh7 h GLU 30 Ca 0.19 0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.72 1wh7 h GLU 30 Cb 0.42 0.19 -0.12 0.00 0.50 0.00 0.00 28.75 29.75 1wh7 h GLU 30 CO -0.46 -0.57 -0.20 0.87 -1.00 0.00 0.00 179.01 177.64 1wh7 h LYS 31 N -0.89 -0.06 0.17 2.33 1.57 0.73 -0.47 116.57 119.96 1wh7 h LYS 31 Ca -0.03 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1wh7 h LYS 31 Cb 0.82 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 1wh7 h LYS 31 CO -0.15 -0.04 -0.13 0.52 -0.57 0.00 0.00 179.45 179.08 1wh7 h MET 32 N -0.06 -0.30 -0.93 3.15 2.86 0.16 1.18 114.93 120.99 1wh7 h MET 32 Ca 0.28 0.02 0.24 0.00 -2.06 0.00 0.00 59.70 58.18 1wh7 h MET 32 Cb 0.48 0.07 -0.17 0.00 0.06 0.00 0.00 31.60 32.04 1wh7 h MET 32 CO -0.64 -0.20 0.03 -0.07 1.06 0.00 0.00 176.91 177.09 1wh7 h LEU 33 N -0.31 -0.43 0.11 1.22 -0.00 0.23 0.84 115.31 116.95 1wh7 h LEU 33 Ca -0.01 0.26 -0.01 0.00 -0.00 0.00 0.00 57.88 58.12 1wh7 h LEU 33 Cb 0.28 0.44 0.00 0.00 -0.00 0.00 0.00 40.66 41.38 1wh7 h LEU 33 CO -0.01 -0.30 -0.05 0.00 -0.00 0.00 0.00 178.44 178.08 1wh7 h ALA 34 N 1.91 -0.14 -0.90 1.53 0.00 -0.73 -2.57 119.26 118.35 1wh7 h ALA 34 Ca 0.55 -0.08 0.24 0.00 0.00 0.00 0.00 54.91 55.61 1wh7 h ALA 34 Cb 1.08 0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.76 1wh7 h ALA 34 CO -0.85 -0.14 -0.02 0.34 0.00 0.00 0.00 179.25 178.59 1wh7 n PHE 35 N -4.86 0.54 0.16 0.00 7.35 0.40 0.58 117.46 121.63 1wh7 n PHE 35 Ca -0.03 1.08 -0.13 0.00 -0.76 0.00 0.00 57.45 57.61 1wh7 n PHE 35 Cb 0.10 -1.15 -0.08 0.00 0.35 0.00 0.00 39.48 38.70 1wh7 n PHE 35 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1wh7 h ALA 36 N 1.80 -0.41 -0.34 3.13 0.00 0.54 -0.25 119.26 123.73 1wh7 h ALA 36 Ca 0.53 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.36 1wh7 h ALA 36 Cb 1.05 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1wh7 h ALA 36 CO -0.86 -0.58 0.63 0.93 0.00 0.00 0.00 179.25 179.38 1wh7 h GLU 37 N -0.72 0.00 0.02 0.00 4.39 0.57 1.66 114.58 120.50 1wh7 h GLU 37 Ca -0.04 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.48 1wh7 h GLU 37 Cb 0.49 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1wh7 h GLU 37 CO 0.07 0.00 -0.93 0.00 -1.16 0.00 0.00 179.01 176.99 1wh7 h ARG 38 N 0.00 0.05 0.00 2.33 3.08 -0.09 -3.31 114.38 116.43 1wh7 h ARG 38 Ca 0.16 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1wh7 h ARG 38 Cb 1.42 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.50 1wh7 h ARG 38 CO -0.00 1.04 0.00 1.28 -1.07 0.00 0.00 179.97 181.22 1wh7 n LEU 39 N -4.38 0.00 -0.05 3.04 4.77 0.73 -4.85 117.00 116.26 1wh7 n LEU 39 Ca -0.24 0.39 -0.01 0.00 -0.03 0.00 0.00 56.01 56.13 1wh7 n LEU 39 Cb 0.67 -0.39 -0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1wh7 n LEU 39 CO 0.27 -0.11 -0.01 0.61 -1.33 0.00 0.00 177.39 176.82 1wh7 n GLY 40 N 0.59 0.39 2.35 -0.72 0.00 0.53 -2.93 105.19 105.40 1wh7 n GLY 40 Ca 0.08 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 1wh7 n GLY 40 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wh7 n TRP 41 N -3.37 -0.35 -3.73 1.61 7.02 0.43 -4.95 117.44 114.09 1wh7 n TRP 41 Ca -0.01 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.35 1wh7 n TRP 41 Cb 0.20 -2.83 -0.13 0.00 -2.42 0.00 0.00 31.31 26.13 1wh7 n TRP 41 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 1wh7 s ARG 42 N -4.00 0.18 -0.24 -0.99 1.70 -1.15 -4.68 118.95 109.78 1wh7 s ARG 42 Ca 0.00 0.50 -0.09 0.00 -0.47 0.00 0.00 55.73 55.67 1wh7 s ARG 42 Cb 0.00 -0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 34.20 1wh7 s ARG 42 CO 0.00 -0.17 0.11 0.42 -1.08 0.00 0.00 175.30 174.58 1wh7 s ILE 43 N 1.28 4.82 0.11 4.99 1.01 -1.26 -4.73 121.20 127.42 1wh7 s ILE 43 Ca -0.09 -0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.57 1wh7 s ILE 43 Cb -0.11 -3.24 0.01 0.00 0.01 0.00 0.00 42.46 39.13 1wh7 s ILE 43 CO -0.08 0.35 0.08 0.00 0.00 0.00 0.00 174.94 175.29 1wh7 n GLN 44 N 4.51 1.31 0.05 2.79 6.02 -1.26 -4.97 117.38 125.83 1wh7 n GLN 44 Ca -0.16 -0.67 -0.13 0.00 -0.01 0.00 0.00 57.00 56.03 1wh7 n GLN 44 Cb 0.52 0.07 -0.08 0.00 1.02 0.00 0.00 30.24 31.76 1wh7 n GLN 44 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1wh7 h LYS 45 N 0.00 -0.08 -0.47 -1.09 1.63 -2.01 -2.44 116.57 112.12 1wh7 h LYS 45 Ca -0.07 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1wh7 h LYS 45 Cb 0.25 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 1wh7 h LYS 45 CO 0.11 0.10 0.31 1.12 -3.45 0.00 0.00 179.45 177.63 1wh7 h HIS 46 N -0.24 0.54 -0.52 1.91 2.07 -2.02 -1.85 115.15 115.03 1wh7 h HIS 46 Ca -0.01 0.01 -0.32 0.00 -2.85 0.00 0.00 60.37 57.21 1wh7 h HIS 46 Cb 0.21 -0.18 -0.12 0.00 2.57 0.00 0.00 27.41 29.89 1wh7 h HIS 46 CO -0.02 0.32 0.16 -0.25 -3.07 0.00 0.00 177.93 175.07 1wh7 n ASP 47 N -4.47 6.03 -0.12 3.10 8.00 -0.92 -4.10 116.55 124.07 1wh7 n ASP 47 Ca 0.05 -2.89 -0.26 0.00 0.71 0.00 0.00 54.79 52.40 1wh7 n ASP 47 Cb 0.11 -1.22 -0.11 0.00 -0.02 0.00 0.00 41.12 39.88 1wh7 n ASP 47 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1wh7 n ASP 48 N 1.22 1.93 0.08 -2.24 2.03 -0.70 -4.09 116.55 114.78 1wh7 n ASP 48 Ca 0.37 0.35 -0.12 0.00 0.52 0.00 0.00 54.79 55.90 1wh7 n ASP 48 Cb 0.64 -0.86 -0.08 0.00 -0.72 0.00 0.00 41.12 40.09 1wh7 n ASP 48 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1wh7 h VAL 49 N -0.91 0.92 -1.38 5.18 2.07 -1.82 -2.04 116.25 118.27 1wh7 h VAL 49 Ca -0.54 -0.89 0.46 0.00 0.82 0.00 0.00 66.70 66.55 1wh7 h VAL 49 Cb 1.52 1.43 -0.13 0.00 -1.52 0.00 0.00 31.29 32.59 1wh7 h VAL 49 CO -0.30 0.19 0.90 0.00 0.02 0.00 0.00 177.57 178.37 1wh7 h ALA 50 N -0.03 2.84 -0.01 1.67 0.00 -1.80 1.84 119.26 123.76 1wh7 h ALA 50 Ca -0.02 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1wh7 h ALA 50 Cb 0.50 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1wh7 h ALA 50 CO 0.04 -1.49 -0.08 0.28 0.00 0.00 0.00 179.25 178.00 1wh7 h VAL 51 N 0.05 1.56 -0.50 0.00 2.07 -1.66 -1.30 116.25 116.47 1wh7 h VAL 51 Ca 0.85 -1.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1wh7 h VAL 51 Cb 2.74 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 35.20 1wh7 h VAL 51 CO -0.42 0.47 0.25 1.05 0.02 0.00 0.00 177.57 178.94 1wh7 h GLU 52 N -0.63 0.68 -0.07 1.57 -0.00 0.24 -0.78 114.58 115.60 1wh7 h GLU 52 Ca -0.01 -0.07 -0.15 0.00 -0.00 0.00 0.00 59.36 59.13 1wh7 h GLU 52 Cb 0.81 -0.14 -0.01 0.00 -0.00 0.00 0.00 28.75 29.41 1wh7 h GLU 52 CO 0.02 0.52 -0.63 1.96 -0.00 0.00 0.00 179.01 180.88 1wh7 h GLN 53 N 0.69 0.27 -0.43 1.06 4.20 0.21 -2.09 115.11 119.02 1wh7 h GLN 53 Ca 0.18 -0.19 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 1wh7 h GLN 53 Cb 0.05 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1wh7 h GLN 53 CO -0.03 0.81 -0.23 0.35 -0.67 0.00 0.00 178.83 179.06 1wh7 h PHE 54 N 0.20 1.06 -0.29 2.96 3.57 -0.16 -3.05 116.94 121.23 1wh7 h PHE 54 Ca -0.01 -0.27 -0.04 0.00 3.53 0.00 0.00 57.97 61.18 1wh7 h PHE 54 Cb 1.15 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1wh7 h PHE 54 CO 0.03 1.07 0.02 0.00 -2.23 0.00 0.00 178.31 177.20 1wh7 h ALA 56 N 0.85 2.14 -1.39 0.00 0.00 -1.28 1.37 119.26 120.96 1wh7 h ALA 56 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wh7 h ALA 56 Cb 0.39 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1wh7 h ALA 56 CO 0.01 -0.86 0.00 0.39 0.00 0.00 0.00 179.25 178.79 1wh7 n GLU 57 N -3.35 0.00 0.14 0.00 1.02 -0.66 -4.74 120.64 113.04 1wh7 n GLU 57 Ca 0.08 0.07 -0.14 0.00 -0.02 0.00 0.00 57.16 57.16 1wh7 n GLU 57 Cb 0.80 -0.40 -0.08 0.00 -0.02 0.00 0.00 31.44 31.74 1wh7 n GLU 57 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1wh7 h THR 58 N 0.00 0.80 0.00 2.62 1.35 -0.70 -3.48 112.91 113.51 1wh7 h THR 58 Ca 0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1wh7 h THR 58 Cb 0.00 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1wh7 h THR 58 CO 0.00 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 1wh7 n GLY 59 N -0.55 1.15 3.74 5.82 0.00 0.47 -5.01 105.19 110.81 1wh7 n GLY 59 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1wh7 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wh7 s VAL 60 N -2.00 3.46 0.09 1.61 1.01 -1.26 -4.96 120.40 118.35 1wh7 s VAL 60 Ca 0.00 1.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.91 1wh7 s VAL 60 Cb 0.00 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1wh7 s VAL 60 CO 0.00 0.20 1.01 -0.13 0.00 0.00 0.00 175.10 176.17 1wh7 s ARG 61 N -0.24 4.62 0.21 2.72 0.52 -1.26 -4.33 118.95 121.19 1wh7 s ARG 61 Ca 0.54 1.51 -0.16 0.00 -0.52 0.00 0.00 55.73 57.10 1wh7 s ARG 61 Cb -0.34 -3.38 0.23 0.00 0.52 0.00 0.00 34.95 31.98 1wh7 s ARG 61 CO 0.37 0.08 1.43 -2.13 0.02 0.00 0.00 175.30 175.08 1wh7 n ARG 62 N 3.11 -0.22 -0.28 3.54 0.00 -1.26 0.21 116.66 121.77 1wh7 n ARG 62 Ca 0.04 1.42 0.04 0.00 -0.00 0.00 0.00 57.85 59.35 1wh7 n ARG 62 Cb 0.49 -2.11 0.17 0.00 0.00 0.00 0.00 32.46 31.01 1wh7 n ARG 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.63 177.07 1wh7 h GLN 63 N 0.00 0.68 -0.19 -0.14 3.07 -1.98 1.48 115.11 118.03 1wh7 h GLN 63 Ca 0.32 -0.04 -0.09 0.00 0.09 0.00 0.00 58.65 58.93 1wh7 h GLN 63 Cb 0.55 -0.15 -0.00 0.00 0.08 0.00 0.00 27.48 27.96 1wh7 h GLN 63 CO -0.92 0.45 -0.25 0.28 0.09 0.00 0.00 178.83 178.48 1wh7 h VAL 64 N 0.70 1.34 -0.40 1.86 2.07 0.18 0.18 116.25 122.17 1wh7 h VAL 64 Ca 0.40 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 1wh7 h VAL 64 Cb 0.44 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1wh7 h VAL 64 CO -0.28 0.44 0.24 0.25 0.02 0.00 0.00 177.57 178.24 1wh7 h LEU 65 N 0.15 0.49 0.45 2.57 6.46 0.36 1.44 115.31 127.23 1wh7 h LEU 65 Ca 0.02 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.70 1wh7 h LEU 65 Cb 0.81 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1wh7 h LEU 65 CO 0.06 0.40 -0.22 0.50 -0.62 0.00 0.00 178.44 178.56 1wh7 h LYS 66 N 0.53 -0.58 0.00 1.25 3.64 0.21 0.50 116.57 122.12 1wh7 h LYS 66 Ca 0.14 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1wh7 h LYS 66 Cb 0.00 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1wh7 h LYS 66 CO -0.03 -0.31 -0.03 0.82 -2.27 0.00 0.00 179.45 177.63 1wh7 h ILE 67 N -0.76 0.88 -0.10 2.00 2.04 -0.48 0.16 117.51 121.25 1wh7 h ILE 67 Ca -0.06 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 1wh7 h ILE 67 Cb 0.54 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1wh7 h ILE 67 CO 0.10 0.03 -0.16 -0.25 0.00 0.00 0.00 178.15 177.87 1wh7 h TRP 68 N 0.00 0.35 -0.08 1.37 7.01 0.25 0.06 115.95 124.91 1wh7 h TRP 68 Ca -0.00 -0.12 -0.00 0.00 2.11 0.00 0.00 58.89 60.88 1wh7 h TRP 68 Cb 0.06 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.05 1wh7 h TRP 68 CO 0.00 0.76 0.05 0.52 -2.79 0.00 0.00 178.44 176.98 1wh7 h MET 69 N -0.17 0.11 -0.11 2.65 2.86 0.12 -1.20 114.93 119.19 1wh7 h MET 69 Ca 0.01 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1wh7 h MET 69 Cb 0.74 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1wh7 h MET 69 CO 0.04 0.13 -0.09 1.25 1.06 0.00 0.00 176.91 179.30 1wh7 h HIS 70 N 0.06 0.17 0.00 -0.22 -0.00 -0.77 0.73 115.15 115.12 1wh7 h HIS 70 Ca 0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1wh7 h HIS 70 Cb 0.05 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1wh7 h HIS 70 CO -0.05 0.27 0.00 -0.91 -0.00 0.00 0.00 177.93 177.24 1wh7 h ASN 71 N 0.17 0.00 0.01 3.26 -0.26 -0.31 -3.17 115.58 115.27 1wh7 h ASN 71 Ca 0.04 0.00 -0.41 0.00 -0.56 0.00 0.00 56.30 55.37 1wh7 h ASN 71 Cb 0.27 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.47 1wh7 h ASN 71 CO 0.01 0.00 -2.33 0.59 -1.06 0.00 0.00 177.43 174.65 1wh7 n ASN 72 N -2.52 1.96 -4.26 5.81 3.02 0.30 -3.91 115.26 115.66 1wh7 n ASN 72 Ca 0.02 0.22 -0.33 0.00 -0.03 0.00 0.00 54.58 54.47 1wh7 n ASN 72 Cb 0.31 -0.74 0.16 0.00 -0.61 0.00 0.00 39.78 38.89 1wh7 n ASN 72 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1wh7 n LYS 73 N -3.97 -1.36 0.00 3.52 2.85 0.23 -3.66 118.16 115.77 1wh7 n LYS 73 Ca -0.48 -0.38 0.00 0.00 -1.05 0.00 0.00 58.31 56.40 1wh7 n LYS 73 Cb 0.90 -1.65 0.00 0.00 -0.65 0.00 0.00 35.03 33.63 1wh7 n LYS 73 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1wh7 n ASN 74 N -1.20 0.00 0.00 -5.58 3.02 -1.26 -3.96 115.26 106.28 1wh7 n ASN 74 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1wh7 n ASN 74 Cb 0.63 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 1wh7 n ASN 74 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1wh7 n SER 75 N 2.20 0.00 0.00 6.41 2.88 -1.24 -5.17 113.62 118.70 1wh7 n SER 75 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wh7 n SER 75 Cb 0.00 0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 1wh7 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh7 n GLY 76 N -0.05 5.46 0.18 0.46 0.00 -1.25 -4.66 105.19 105.32 1wh7 n GLY 76 Ca 0.00 -1.19 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 1wh7 n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh7 h PRO 77 N 0.00 0.50 -6.19 1.61 0.13 -1.90 -3.42 132.00 122.73 1wh7 h PRO 77 Ca 0.00 -0.48 -0.58 0.00 -0.87 0.00 0.00 66.00 64.07 1wh7 h PRO 77 Cb 0.00 0.12 -0.04 0.00 0.13 0.00 0.00 31.00 31.21 1wh7 h PRO 77 CO 0.00 1.12 -0.09 0.45 -0.23 0.00 0.00 178.00 179.25 1wh7 s SER 78 N -7.09 6.94 -0.10 1.44 0.15 -1.26 -5.01 113.70 108.77 1wh7 s SER 78 Ca -0.07 1.13 -0.05 0.00 0.70 0.00 0.00 55.95 57.66 1wh7 s SER 78 Cb 0.09 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 62.04 1wh7 s SER 78 CO 0.87 0.25 0.16 0.77 1.20 0.00 0.00 173.24 176.49 1wh7 h SER 79 N 4.36 -0.03 0.00 5.45 4.64 -2.00 -3.45 113.55 122.52 1wh7 h SER 79 Ca -0.50 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 1wh7 h SER 79 Cb 1.21 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1wh7 h SER 79 CO 0.63 0.53 0.00 0.61 -0.87 0.00 0.00 176.83 177.74