#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh9 n SER 2 N 0.00 -5.48 -3.43 1.61 2.88 -1.26 -5.03 113.62 102.91 1wh9 n SER 2 Ca 0.00 0.02 -0.15 0.00 -1.33 0.00 0.00 58.87 57.40 1wh9 n SER 2 Cb 0.00 -1.49 -0.06 0.00 -0.75 0.00 0.00 64.21 61.91 1wh9 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wh9 s SER 3 N -1.23 0.99 -0.22 -3.46 0.15 -1.26 -5.17 113.70 103.51 1wh9 s SER 3 Ca 0.25 -1.52 -0.10 0.00 0.70 0.00 0.00 55.95 55.28 1wh9 s SER 3 Cb -0.03 0.60 0.08 0.00 -1.71 0.00 0.00 66.02 64.96 1wh9 s SER 3 CO 0.56 -1.17 0.51 -0.83 1.20 0.00 0.00 173.24 173.51 1wh9 s GLY 4 N -3.25 -0.46 -0.34 9.45 0.00 -1.26 -5.01 107.32 106.45 1wh9 s GLY 4 Ca 0.34 1.83 -0.09 0.00 0.00 0.00 0.00 44.72 46.79 1wh9 s GLY 4 CO 0.21 2.23 0.33 1.44 0.00 0.00 0.00 173.10 177.31 1wh9 n SER 5 N 4.75 -2.63 -3.61 1.64 7.64 -1.26 -4.98 113.62 115.18 1wh9 n SER 5 Ca -0.17 -0.32 -0.13 0.00 1.01 0.00 0.00 58.87 59.27 1wh9 n SER 5 Cb 0.54 -0.82 -0.07 0.00 -1.01 0.00 0.00 64.21 62.85 1wh9 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wh9 s SER 6 N -1.70 -0.62 0.00 6.43 0.15 -1.26 -5.13 113.70 111.58 1wh9 s SER 6 Ca 0.09 1.09 0.00 0.00 0.70 0.00 0.00 55.95 57.83 1wh9 s SER 6 Cb -0.01 1.07 0.00 0.00 -1.71 0.00 0.00 66.02 65.37 1wh9 s SER 6 CO 0.46 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1wh9 n GLY 7 N 2.14 1.99 0.24 9.45 0.00 -1.26 -4.97 105.19 112.77 1wh9 n GLY 7 Ca -0.14 -0.60 0.02 0.00 0.00 0.00 0.00 46.02 45.30 1wh9 n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1wh9 n PHE 8 N 0.00 0.14 -0.25 1.61 7.35 -1.26 -0.84 117.46 124.21 1wh9 n PHE 8 Ca 0.00 0.79 0.15 0.00 -0.76 0.00 0.00 57.45 57.62 1wh9 n PHE 8 Cb 0.00 -0.81 0.44 0.00 0.35 0.00 0.00 39.48 39.45 1wh9 n PHE 8 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1wh9 h LYS 9 N 0.00 0.55 0.10 -4.13 3.64 -1.99 -1.78 116.57 112.96 1wh9 h LYS 9 Ca 0.27 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1wh9 h LYS 9 Cb 0.43 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1wh9 h LYS 9 CO -0.65 0.36 -0.05 0.00 -2.27 0.00 0.00 179.45 176.84 1wh9 h ALA 10 N 1.61 -0.13 -0.56 5.00 0.00 -1.37 -0.33 119.26 123.49 1wh9 h ALA 10 Ca 0.45 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.25 1wh9 h ALA 10 Cb 0.89 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1wh9 h ALA 10 CO -0.19 -0.39 0.22 0.93 0.00 0.00 0.00 179.25 179.81 1wh9 h GLU 11 N -0.50 0.40 -0.37 0.00 4.39 -1.55 -0.01 114.58 116.93 1wh9 h GLU 11 Ca -0.01 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 1wh9 h GLU 11 Cb 0.41 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1wh9 h GLU 11 CO 0.02 0.26 -0.07 1.25 -1.16 0.00 0.00 179.01 179.31 1wh9 h LEU 12 N 0.41 0.71 -0.21 1.33 5.85 -1.29 0.59 115.31 122.70 1wh9 h LEU 12 Ca 0.27 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1wh9 h LEU 12 Cb 0.29 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1wh9 h LEU 12 CO -0.26 0.90 0.06 -1.13 -0.34 0.00 0.00 178.44 177.67 1wh9 h ASN 13 N 0.51 0.31 -0.62 1.25 -1.24 -0.76 -1.46 115.58 113.57 1wh9 h ASN 13 Ca 0.10 -0.21 0.04 0.00 0.71 0.00 0.00 56.30 56.94 1wh9 h ASN 13 Cb 0.58 -0.08 -0.05 0.00 0.73 0.00 0.00 38.32 39.50 1wh9 h ASN 13 CO 0.03 0.43 0.36 -0.33 -1.29 0.00 0.00 177.43 176.64 1wh9 h GLU 14 N 0.17 0.67 0.67 6.67 4.39 -0.93 0.11 114.58 126.32 1wh9 h GLU 14 Ca 0.07 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 1wh9 h GLU 14 Cb 0.24 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1wh9 h GLU 14 CO -0.00 0.45 -0.50 0.35 -1.16 0.00 0.00 179.01 178.14 1wh9 h PHE 15 N 0.69 -1.37 -0.91 4.33 3.57 -0.70 -3.00 116.94 119.55 1wh9 h PHE 15 Ca 0.27 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.80 1wh9 h PHE 15 Cb 0.10 0.51 -0.05 0.00 2.79 0.00 0.00 35.95 39.30 1wh9 h PHE 15 CO -0.07 -0.71 0.60 -0.07 -2.23 0.00 0.00 178.31 175.83 1wh9 h LEU 16 N -1.12 0.98 -1.30 0.59 3.38 -1.08 -2.59 115.31 114.16 1wh9 h LEU 16 Ca -0.09 -0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.07 1wh9 h LEU 16 Cb 0.93 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 1wh9 h LEU 16 CO 0.03 0.66 0.61 0.74 0.09 0.00 0.00 178.44 180.57 1wh9 h THR 17 N 1.13 0.70 0.11 0.22 2.02 -0.64 0.05 112.91 116.50 1wh9 h THR 17 Ca 0.37 -0.20 -0.36 0.00 0.77 0.00 0.00 66.41 66.99 1wh9 h THR 17 Cb 0.05 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.52 1wh9 h THR 17 CO -0.12 0.10 -2.00 0.54 0.37 0.00 0.00 175.52 174.42 1wh9 n ARG 18 N -4.61 0.74 0.23 6.66 1.74 -1.01 -2.86 116.66 117.56 1wh9 n ARG 18 Ca 0.21 0.26 0.09 0.00 -0.77 0.00 0.00 57.85 57.64 1wh9 n ARG 18 Cb 0.63 -1.71 0.55 0.00 -1.02 0.00 0.00 32.46 30.91 1wh9 n ARG 18 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1wh9 h GLU 19 N 0.06 0.00 -0.12 5.56 3.07 -1.10 -3.05 114.58 119.00 1wh9 h GLU 19 Ca -0.42 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.42 1wh9 h GLU 19 Cb 2.03 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.92 1wh9 h GLU 19 CO 0.08 0.22 -0.08 1.28 -1.40 0.00 0.00 179.01 179.12 1wh9 n LEU 20 N -3.62 3.09 0.04 1.33 4.77 -0.04 -4.82 117.00 117.76 1wh9 n LEU 20 Ca -0.01 -3.27 -0.11 0.00 -0.03 0.00 0.00 56.01 52.59 1wh9 n LEU 20 Cb 0.35 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 40.90 1wh9 n LEU 20 CO 0.33 0.86 0.76 0.00 -1.33 0.00 0.00 177.39 178.01 1wh9 h ALA 21 N 0.80 -0.16 0.00 -1.18 0.00 -1.41 -2.23 119.26 115.08 1wh9 h ALA 21 Ca 0.03 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1wh9 h ALA 21 Cb 1.22 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1wh9 h ALA 21 CO 0.12 -0.64 -0.49 0.93 0.00 0.00 0.00 179.25 179.17 1wh9 h GLU 22 N -0.24 0.00 -0.32 0.00 5.08 -1.87 -3.34 114.58 113.89 1wh9 h GLU 22 Ca 0.06 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1wh9 h GLU 22 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1wh9 h GLU 22 CO -0.17 0.49 -0.13 -0.44 -1.00 0.00 0.00 179.01 177.76 1wh9 h ASP 23 N 0.00 0.53 0.00 1.42 5.19 -1.75 -3.46 116.42 118.35 1wh9 h ASP 23 Ca -0.00 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 1wh9 h ASP 23 Cb 1.12 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.48 1wh9 h ASP 23 CO 0.06 0.70 0.00 0.61 -3.12 0.00 0.00 179.24 177.49 1wh9 n GLY 24 N -0.58 1.64 3.43 2.75 0.00 -1.13 -4.57 105.19 106.73 1wh9 n GLY 24 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1wh9 n GLY 24 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wh9 n TYR 25 N -0.27 -1.26 0.07 1.61 9.36 -1.14 -1.23 117.16 124.30 1wh9 n TYR 25 Ca 0.00 0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.49 1wh9 n TYR 25 Cb 0.00 -1.83 0.00 0.00 -0.63 0.00 0.00 39.34 36.88 1wh9 n TYR 25 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1wh9 n SER 26 N -0.78 0.38 -0.64 2.98 7.64 -0.43 -4.74 113.62 118.01 1wh9 n SER 26 Ca 0.08 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1wh9 n SER 26 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1wh9 n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh9 n GLY 27 N 2.52 0.95 3.15 0.23 0.00 -0.60 -5.04 105.19 106.41 1wh9 n GLY 27 Ca 0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 1wh9 n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wh9 s VAL 28 N -2.24 0.12 0.13 1.61 0.11 -1.26 -0.20 120.40 118.66 1wh9 s VAL 28 Ca 0.00 -0.98 0.09 0.00 -2.93 0.00 0.00 61.98 58.16 1wh9 s VAL 28 Cb 0.00 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 1wh9 s VAL 28 CO 0.00 -0.54 -0.21 -1.61 -3.33 0.00 0.00 175.10 169.42 1wh9 s GLU 29 N -2.52 1.23 -0.02 1.54 2.02 -0.07 -4.93 118.70 115.94 1wh9 s GLU 29 Ca -0.06 -1.29 0.03 0.00 0.02 0.00 0.00 54.97 53.67 1wh9 s GLU 29 Cb -0.01 -1.44 -0.00 0.00 0.10 0.00 0.00 34.13 32.77 1wh9 s GLU 29 CO -0.04 0.32 -0.09 0.54 0.02 0.00 0.00 175.26 176.01 1wh9 s VAL 30 N -1.51 0.73 0.15 2.63 0.11 -1.26 -0.52 120.40 120.73 1wh9 s VAL 30 Ca 0.11 -0.36 0.09 0.00 -2.93 0.00 0.00 61.98 58.90 1wh9 s VAL 30 Cb -0.08 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 1wh9 s VAL 30 CO 0.06 0.22 -0.14 -0.13 -3.33 0.00 0.00 175.10 171.78 1wh9 s ARG 31 N 0.06 1.93 -0.37 1.54 0.52 0.36 -5.00 118.95 117.99 1wh9 s ARG 31 Ca -0.01 -1.23 0.01 0.00 -0.52 0.00 0.00 55.73 53.99 1wh9 s ARG 31 Cb -0.07 -2.14 0.11 0.00 0.52 0.00 0.00 34.95 33.38 1wh9 s ARG 31 CO 0.00 0.46 0.14 0.08 0.02 0.00 0.00 175.30 176.00 1wh9 s VAL 32 N -1.44 1.32 0.32 3.52 1.01 -1.26 -2.15 120.40 121.72 1wh9 s VAL 32 Ca 0.22 -2.00 0.10 0.00 0.00 0.00 0.00 61.98 60.30 1wh9 s VAL 32 Cb -0.10 -1.97 -0.06 0.00 0.00 0.00 0.00 36.38 34.26 1wh9 s VAL 32 CO 0.13 -0.74 -0.11 0.42 0.00 0.00 0.00 175.10 174.79 1wh9 s THR 33 N 1.02 2.22 -1.63 3.92 -4.23 -1.23 -5.03 115.64 110.68 1wh9 s THR 33 Ca 0.13 -2.24 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 1wh9 s THR 33 Cb -0.20 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1wh9 s THR 33 CO -0.13 -0.26 0.77 -0.81 -0.54 0.00 0.00 174.62 173.65 1wh9 n PRO 34 N -0.73 0.94 0.00 3.99 -0.04 -1.26 -3.96 135.00 133.94 1wh9 n PRO 34 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1wh9 n PRO 34 Cb 0.63 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 1wh9 n PRO 34 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wh9 n THR 35 N -0.30 0.00 -3.83 0.52 -2.24 -1.26 -5.09 114.28 102.07 1wh9 n THR 35 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 1wh9 n THR 35 Cb 0.09 -1.03 -0.00 0.00 -2.10 0.00 0.00 70.33 67.29 1wh9 n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wh9 s ARG 36 N -1.99 1.75 0.42 -0.78 1.70 -1.25 -4.96 118.95 113.84 1wh9 s ARG 36 Ca 0.00 -1.04 -0.23 0.00 -0.47 0.00 0.00 55.73 54.00 1wh9 s ARG 36 Cb 0.00 0.55 -0.09 0.00 -0.57 0.00 0.00 34.95 34.84 1wh9 s ARG 36 CO 0.00 -0.81 1.03 0.99 -1.08 0.00 0.00 175.30 175.43 1wh9 s THR 37 N -3.19 3.81 -0.07 4.99 2.01 0.06 -3.49 115.64 119.77 1wh9 s THR 37 Ca 0.13 1.29 0.02 0.00 0.31 0.00 0.00 61.69 63.45 1wh9 s THR 37 Cb -0.05 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.86 1wh9 s THR 37 CO 0.07 -0.08 -0.12 -1.61 -0.69 0.00 0.00 174.62 172.19 1wh9 s GLU 38 N -2.74 1.69 -0.06 4.92 2.02 -0.91 -1.39 118.70 122.24 1wh9 s GLU 38 Ca 0.60 -0.41 0.03 0.00 0.02 0.00 0.00 54.97 55.22 1wh9 s GLU 38 Cb -0.19 -1.41 0.00 0.00 0.10 0.00 0.00 34.13 32.63 1wh9 s GLU 38 CO 0.24 0.02 -0.15 0.42 0.02 0.00 0.00 175.26 175.81 1wh9 s ILE 39 N 0.69 1.33 -0.31 -1.63 1.01 -0.32 -0.48 121.20 121.49 1wh9 s ILE 39 Ca -0.14 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 59.89 1wh9 s ILE 39 Cb -0.16 -1.17 0.10 0.00 0.01 0.00 0.00 42.46 41.24 1wh9 s ILE 39 CO 0.03 0.39 0.08 -0.63 0.00 0.00 0.00 174.94 174.82 1wh9 s ILE 40 N 0.35 1.22 0.15 2.92 1.09 0.32 -0.17 121.20 127.07 1wh9 s ILE 40 Ca -0.10 -1.60 -0.31 0.00 -1.10 0.00 0.00 60.65 57.54 1wh9 s ILE 40 Cb -0.14 -1.90 -0.08 0.00 -1.06 0.00 0.00 42.46 39.28 1wh9 s ILE 40 CO 0.03 -0.63 1.35 -0.63 -0.10 0.00 0.00 174.94 174.96 1wh9 s ILE 41 N 1.45 3.30 -0.31 2.92 1.01 -0.69 -0.89 121.20 127.99 1wh9 s ILE 41 Ca 0.09 0.99 -0.08 0.00 0.00 0.00 0.00 60.65 61.65 1wh9 s ILE 41 Cb -0.18 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.67 1wh9 s ILE 41 CO -0.20 0.10 0.11 -0.76 0.00 0.00 0.00 174.94 174.19 1wh9 s LEU 42 N 0.61 3.99 0.20 2.97 1.43 0.72 -1.11 118.68 127.49 1wh9 s LEU 42 Ca 0.61 -0.68 -0.03 0.00 -1.03 0.00 0.00 54.13 53.00 1wh9 s LEU 42 Cb -0.36 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 1wh9 s LEU 42 CO 0.33 -0.21 0.18 0.00 0.23 0.00 0.00 176.35 176.88 1wh9 s ALA 43 N 1.53 0.93 0.05 4.21 0.00 -1.06 -1.32 121.76 126.10 1wh9 s ALA 43 Ca 0.03 -1.56 -0.20 0.00 0.00 0.00 0.00 51.96 50.23 1wh9 s ALA 43 Cb -0.17 1.30 -0.13 0.00 0.00 0.00 0.00 23.12 24.12 1wh9 s ALA 43 CO 0.04 -0.62 1.40 1.79 0.00 0.00 0.00 175.76 178.36 1wh9 h THR 44 N 2.58 1.32 -3.46 0.00 1.35 -1.46 -0.32 112.91 112.92 1wh9 h THR 44 Ca -0.34 -1.16 -0.67 0.00 -0.55 0.00 0.00 66.41 63.68 1wh9 h THR 44 Cb 1.25 1.73 -0.38 0.00 -1.73 0.00 0.00 68.15 69.02 1wh9 h THR 44 CO 0.51 0.34 -0.47 -0.13 -0.25 0.00 0.00 175.52 175.52 1wh9 s ARG 45 N -4.53 2.34 0.22 4.72 0.52 -1.26 -4.52 118.95 116.45 1wh9 s ARG 45 Ca -0.14 -2.63 -0.07 0.00 -0.52 0.00 0.00 55.73 52.37 1wh9 s ARG 45 Cb 0.06 -3.56 0.35 0.00 0.52 0.00 0.00 34.95 32.32 1wh9 s ARG 45 CO 0.75 -1.15 1.74 1.79 0.02 0.00 0.00 175.30 178.44 1wh9 h THR 46 N 5.29 0.71 0.00 0.02 1.35 -1.86 -1.25 112.91 117.17 1wh9 h THR 46 Ca -0.03 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1wh9 h THR 46 Cb 0.92 0.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1wh9 h THR 46 CO 0.71 0.08 0.00 0.06 -0.25 0.00 0.00 175.52 176.11 1wh9 h GLN 47 N 0.41 0.00 -0.01 4.72 3.07 -1.95 -0.91 115.11 120.44 1wh9 h GLN 47 Ca 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 59.07 1wh9 h GLN 47 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.04 1wh9 h GLN 47 CO -0.35 0.00 -0.08 -0.91 0.09 0.00 0.00 178.83 177.57 1wh9 h ASN 48 N 0.00 0.09 -0.94 0.06 4.21 -1.57 -1.54 115.58 115.88 1wh9 h ASN 48 Ca 0.00 -0.71 0.02 0.00 1.21 0.00 0.00 56.30 56.81 1wh9 h ASN 48 Cb 0.28 -0.03 -0.05 0.00 -1.12 0.00 0.00 38.32 37.40 1wh9 h ASN 48 CO 0.00 0.79 0.62 0.58 -1.29 0.00 0.00 177.43 178.13 1wh9 h VAL 49 N -0.60 1.22 -0.57 2.81 2.07 -1.33 -1.44 116.25 118.41 1wh9 h VAL 49 Ca -0.01 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 1wh9 h VAL 49 Cb 0.79 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1wh9 h VAL 49 CO 0.02 0.23 0.00 -0.07 0.02 0.00 0.00 177.57 177.77 1wh9 h LEU 50 N 1.25 0.99 0.00 2.57 3.38 -1.22 -2.88 115.31 119.40 1wh9 h LEU 50 Ca 0.35 -0.30 0.09 0.00 0.09 0.00 0.00 57.88 58.11 1wh9 h LEU 50 Cb -0.11 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.35 1wh9 h LEU 50 CO -0.08 1.05 -0.12 0.61 0.09 0.00 0.00 178.44 179.99 1wh9 n GLY 51 N -0.41 -1.87 3.61 0.83 0.00 -0.54 -0.99 105.19 105.81 1wh9 n GLY 51 Ca 0.02 -1.31 -0.44 0.00 0.00 0.00 0.00 46.02 44.29 1wh9 n GLY 51 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wh9 n GLU 52 N -1.69 2.13 -2.48 1.61 2.13 -1.26 -2.46 120.64 118.62 1wh9 n GLU 52 Ca 0.00 0.67 -0.07 0.00 0.66 0.00 0.00 57.16 58.43 1wh9 n GLU 52 Cb 0.15 -3.04 -0.00 0.00 0.27 0.00 0.00 31.44 28.82 1wh9 n GLU 52 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1wh9 n LYS 53 N 8.18 -2.59 -0.22 5.31 2.85 -1.26 -0.45 118.16 129.98 1wh9 n LYS 53 Ca 0.28 0.32 0.00 0.00 -1.05 0.00 0.00 58.31 57.86 1wh9 n LYS 53 Cb 0.40 -4.87 0.00 0.00 -0.65 0.00 0.00 35.03 29.91 1wh9 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wh9 n GLY 54 N -0.67 0.77 0.38 2.58 0.00 -1.03 -5.01 105.19 102.21 1wh9 n GLY 54 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 1wh9 n GLY 54 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wh9 h ARG 55 N 3.86 -0.22 -0.08 1.61 2.47 -0.35 -0.62 114.38 121.04 1wh9 h ARG 55 Ca 0.00 0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 58.66 1wh9 h ARG 55 Cb 0.00 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1wh9 h ARG 55 CO 0.00 -0.15 -0.23 -0.09 0.56 0.00 0.00 179.97 180.06 1wh9 h ARG 56 N -0.23 0.30 -0.64 0.04 9.65 -1.29 -2.47 114.38 119.74 1wh9 h ARG 56 Ca 0.18 -0.21 0.03 0.00 -1.10 0.00 0.00 59.98 58.88 1wh9 h ARG 56 Cb 0.56 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.14 1wh9 h ARG 56 CO -0.66 0.83 0.42 0.97 2.80 0.00 0.00 179.97 184.33 1wh9 h ILE 57 N -0.18 1.10 -0.21 1.20 2.10 -1.08 0.29 117.51 120.73 1wh9 h ILE 57 Ca -0.01 -0.27 -0.16 0.00 1.08 0.00 0.00 64.86 65.51 1wh9 h ILE 57 Cb 0.85 0.26 -0.01 0.00 -1.09 0.00 0.00 36.82 36.83 1wh9 h ILE 57 CO 0.05 0.14 -0.52 -0.09 -1.08 0.00 0.00 178.15 176.65 1wh9 h ARG 58 N 0.77 0.60 -0.05 2.19 2.43 -1.13 0.15 114.38 119.34 1wh9 h ARG 58 Ca 0.25 -0.37 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1wh9 h ARG 58 Cb 0.04 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1wh9 h ARG 58 CO -0.07 0.98 0.01 0.93 -1.51 0.00 0.00 179.97 180.31 1wh9 h GLU 59 N 0.47 0.08 -0.01 0.20 5.08 -0.83 -2.22 114.58 117.35 1wh9 h GLU 59 Ca 0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wh9 h GLU 59 Cb 1.07 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1wh9 h GLU 59 CO 0.10 0.30 0.01 -0.07 -1.00 0.00 0.00 179.01 178.35 1wh9 h LEU 60 N -0.15 0.00 0.57 1.33 3.38 -0.34 0.30 115.31 120.40 1wh9 h LEU 60 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1wh9 h LEU 60 Cb 0.26 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.01 1wh9 h LEU 60 CO 0.00 0.00 -0.27 0.74 0.09 0.00 0.00 178.44 179.00 1wh9 h THR 61 N 0.00 0.38 -0.37 0.22 2.02 -0.56 -2.23 112.91 112.37 1wh9 h THR 61 Ca 0.01 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 66.96 1wh9 h THR 61 Cb 0.02 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1wh9 h THR 61 CO -0.00 0.03 0.22 0.00 0.37 0.00 0.00 175.52 176.14 1wh9 h ALA 62 N -0.59 0.46 0.21 6.16 0.00 -0.49 0.12 119.26 125.12 1wh9 h ALA 62 Ca -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1wh9 h ALA 62 Cb 0.64 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1wh9 h ALA 62 CO 0.13 -0.12 -0.10 -0.24 0.00 0.00 0.00 179.25 178.92 1wh9 h VAL 63 N 0.45 0.85 -0.53 0.00 3.04 -1.11 -2.38 116.25 116.56 1wh9 h VAL 63 Ca 0.14 -0.29 0.08 0.00 -1.01 0.00 0.00 66.70 65.62 1wh9 h VAL 63 Cb -0.01 1.02 -0.06 0.00 -2.01 0.00 0.00 31.29 30.23 1wh9 h VAL 63 CO -0.06 0.07 0.19 0.58 -1.01 0.00 0.00 177.57 177.34 1wh9 h VAL 64 N -0.43 0.81 -0.71 1.51 2.07 -1.17 0.20 116.25 118.53 1wh9 h VAL 64 Ca -0.03 -0.13 0.13 0.00 0.82 0.00 0.00 66.70 67.49 1wh9 h VAL 64 Cb 0.33 0.41 -0.09 0.00 -1.52 0.00 0.00 31.29 30.42 1wh9 h VAL 64 CO 0.05 0.07 0.27 1.56 0.02 0.00 0.00 177.57 179.53 1wh9 h GLN 65 N 0.37 0.41 0.16 1.57 4.20 -0.62 -0.19 115.11 121.00 1wh9 h GLN 65 Ca 0.26 -0.02 -0.32 0.00 0.06 0.00 0.00 58.65 58.62 1wh9 h GLN 65 Cb 0.29 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1wh9 h GLN 65 CO -0.26 0.27 -1.58 0.87 -0.67 0.00 0.00 178.83 177.46 1wh9 h LYS 66 N 0.42 0.33 0.15 1.46 1.57 -0.78 0.16 116.57 119.88 1wh9 h LYS 66 Ca 0.38 -0.57 0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1wh9 h LYS 66 Cb 0.55 0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 1wh9 h LYS 66 CO -0.38 1.22 -0.30 -0.09 -0.57 0.00 0.00 179.45 179.33 1wh9 h ARG 67 N 0.09 -0.52 0.00 3.15 1.12 -0.22 -3.11 114.38 114.89 1wh9 h ARG 67 Ca -0.27 0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.64 1wh9 h ARG 67 Cb 2.06 0.12 0.00 0.00 -0.01 0.00 0.00 29.97 32.14 1wh9 h ARG 67 CO 0.18 -0.35 -0.77 1.19 -3.11 0.00 0.00 179.97 177.11 1wh9 n PHE 68 N -5.41 0.07 -1.25 2.20 3.72 -0.12 -4.97 117.46 111.71 1wh9 n PHE 68 Ca -0.07 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1wh9 n PHE 68 Cb 0.32 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 1wh9 n PHE 68 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wh9 n GLY 69 N 1.47 0.42 3.77 1.37 0.00 -0.72 -5.02 105.19 106.48 1wh9 n GLY 69 Ca 0.04 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 1wh9 n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wh9 s PHE 70 N -2.00 2.81 0.22 1.61 0.08 -0.04 -4.97 117.98 115.70 1wh9 s PHE 70 Ca 0.00 1.29 -0.32 0.00 0.12 0.00 0.00 56.93 58.02 1wh9 s PHE 70 Cb 0.00 -3.85 -0.12 0.00 -0.57 0.00 0.00 43.02 38.48 1wh9 s PHE 70 CO 0.00 -2.44 1.71 -1.25 -0.10 0.00 0.00 175.22 173.14 1wh9 s PRO 71 N -1.94 4.12 0.07 0.24 0.04 -1.26 -4.82 135.00 131.46 1wh9 s PRO 71 Ca 0.51 2.61 -0.30 0.00 0.04 0.00 0.00 61.00 63.85 1wh9 s PRO 71 Cb -0.43 -3.07 -0.09 0.00 0.04 0.00 0.00 34.50 30.95 1wh9 s PRO 71 CO 0.58 -0.74 1.87 -2.00 0.04 0.00 0.00 177.00 176.75 1wh9 s GLU 72 N 0.93 4.15 0.00 4.56 2.12 -1.26 -2.05 118.70 127.15 1wh9 s GLU 72 Ca 0.73 2.56 0.00 0.00 0.36 0.00 0.00 54.97 58.62 1wh9 s GLU 72 Cb -0.50 -3.86 0.00 0.00 0.26 0.00 0.00 34.13 30.03 1wh9 s GLU 72 CO 0.34 -0.88 0.00 0.41 -0.54 0.00 0.00 175.26 174.59 1wh9 n GLY 73 N 4.34 2.51 0.90 -1.50 0.00 -1.26 -4.80 105.19 105.38 1wh9 n GLY 73 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.25 1wh9 n GLY 73 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh9 n SER 74 N 0.00 2.55 -4.35 1.61 7.64 -0.87 -4.72 113.62 115.47 1wh9 n SER 74 Ca 0.00 -2.22 -0.22 0.00 1.01 0.00 0.00 58.87 57.44 1wh9 n SER 74 Cb 0.00 -0.41 -0.11 0.00 -1.01 0.00 0.00 64.21 62.68 1wh9 n SER 74 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wh9 s VAL 75 N -1.68 1.89 0.01 0.44 0.11 -1.23 -0.76 120.40 119.18 1wh9 s VAL 75 Ca 0.24 -2.02 -0.00 0.00 -2.93 0.00 0.00 61.98 57.27 1wh9 s VAL 75 Cb 0.16 -1.93 -0.01 0.00 -1.53 0.00 0.00 36.38 33.06 1wh9 s VAL 75 CO 0.11 -0.36 -0.01 -1.61 -3.33 0.00 0.00 175.10 169.91 1wh9 s GLU 76 N -3.00 0.17 -0.23 1.54 0.41 -0.48 -4.86 118.70 112.25 1wh9 s GLU 76 Ca 0.18 -0.31 0.02 0.00 -0.41 0.00 0.00 54.97 54.45 1wh9 s GLU 76 Cb -0.05 0.06 0.05 0.00 -1.78 0.00 0.00 34.13 32.41 1wh9 s GLU 76 CO 0.08 -0.03 -0.12 -0.51 -0.49 0.00 0.00 175.26 174.19 1wh9 s LEU 77 N -0.77 2.79 0.33 1.80 1.02 -1.26 -1.17 118.68 121.42 1wh9 s LEU 77 Ca -0.08 -1.09 0.08 0.00 0.02 0.00 0.00 54.13 53.05 1wh9 s LEU 77 Cb -0.05 -1.41 -0.04 0.00 0.02 0.00 0.00 46.19 44.70 1wh9 s LEU 77 CO -0.00 -0.15 0.11 -0.31 0.02 0.00 0.00 176.35 176.02 1wh9 s TYR 78 N 1.25 2.69 -0.13 0.29 2.02 0.76 -4.99 117.35 119.23 1wh9 s TYR 78 Ca -0.04 -0.38 -0.03 0.00 -0.37 0.00 0.00 57.07 56.25 1wh9 s TYR 78 Cb -0.18 -1.58 0.05 0.00 -0.40 0.00 0.00 41.96 39.85 1wh9 s TYR 78 CO -0.07 0.38 0.05 0.00 -1.57 0.00 0.00 175.55 174.34 1wh9 s ALA 79 N -2.43 0.57 0.14 3.71 0.00 -1.26 -1.71 121.76 120.77 1wh9 s ALA 79 Ca 0.37 -0.24 0.04 0.00 0.00 0.00 0.00 51.96 52.12 1wh9 s ALA 79 Cb -0.02 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 1wh9 s ALA 79 CO 0.22 -0.87 0.15 -2.00 0.00 0.00 0.00 175.76 173.26 1wh9 s GLU 80 N 2.05 3.01 0.34 0.00 2.12 -0.27 -4.96 118.70 120.98 1wh9 s GLU 80 Ca 0.03 -0.77 -0.19 0.00 0.36 0.00 0.00 54.97 54.40 1wh9 s GLU 80 Cb -0.15 -2.73 -0.10 0.00 0.26 0.00 0.00 34.13 31.42 1wh9 s GLU 80 CO -0.07 0.51 0.83 0.21 -0.54 0.00 0.00 175.26 176.20 1wh9 s LYS 81 N -2.95 4.19 0.28 4.30 2.20 -1.26 -2.57 119.74 123.93 1wh9 s LYS 81 Ca 0.31 0.93 -0.18 0.00 -0.36 0.00 0.00 55.97 56.67 1wh9 s LYS 81 Cb -0.11 -2.48 -0.09 0.00 -1.51 0.00 0.00 37.83 33.64 1wh9 s LYS 81 CO 0.24 0.16 0.75 0.08 -0.36 0.00 0.00 175.35 176.22 1wh9 s VAL 82 N -1.91 4.58 0.00 4.02 1.01 -0.13 -4.67 120.40 123.30 1wh9 s VAL 82 Ca 0.54 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.72 1wh9 s VAL 82 Cb -0.12 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1wh9 s VAL 82 CO 0.17 0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.30 1wh9 n ALA 83 N 0.22 -2.43 -2.36 5.51 0.00 -1.26 -4.88 120.51 115.31 1wh9 n ALA 83 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 1wh9 n ALA 83 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1wh9 n ALA 83 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wh9 s THR 84 N -0.47 3.65 0.00 0.00 -4.23 -1.26 -4.98 115.64 108.35 1wh9 s THR 84 Ca 0.00 -0.12 0.04 0.00 -1.18 0.00 0.00 61.69 60.43 1wh9 s THR 84 Cb 0.00 -4.59 -0.01 0.00 1.34 0.00 0.00 72.50 69.24 1wh9 s THR 84 CO 0.00 -1.52 -0.13 -0.60 -0.54 0.00 0.00 174.62 171.83 1wh9 s ARG 85 N 6.02 0.99 0.00 3.99 3.52 -1.26 -5.01 118.95 127.20 1wh9 s ARG 85 Ca 0.51 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 55.60 1wh9 s ARG 85 Cb -0.06 -0.97 0.00 0.00 -1.56 0.00 0.00 34.95 32.36 1wh9 s ARG 85 CO 0.06 0.26 0.00 0.41 -0.81 0.00 0.00 175.30 175.22 1wh9 n GLY 86 N 2.59 -0.32 3.26 8.12 0.00 -1.26 -5.07 105.19 112.52 1wh9 n GLY 86 Ca -0.15 0.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 1wh9 n GLY 86 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh9 n SER 87 N 0.00 -6.70 -4.00 1.61 7.64 -1.26 -5.02 113.62 105.89 1wh9 n SER 87 Ca 0.00 -0.12 -0.31 0.00 1.01 0.00 0.00 58.87 59.45 1wh9 n SER 87 Cb 0.00 -3.74 -0.14 0.00 -1.01 0.00 0.00 64.21 59.32 1wh9 n SER 87 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wh9 s GLY 88 N -2.56 2.20 0.43 0.23 0.00 -1.26 -4.98 107.32 101.38 1wh9 s GLY 88 Ca 0.15 -2.90 0.24 0.00 0.00 0.00 0.00 44.72 42.21 1wh9 s GLY 88 CO 0.82 0.99 1.79 -0.56 0.00 0.00 0.00 173.10 176.13 1wh9 h PRO 89 N 7.12 0.00 -6.53 2.90 0.13 -2.04 -3.49 132.00 130.09 1wh9 h PRO 89 Ca -0.06 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.74 1wh9 h PRO 89 Cb 0.96 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.11 1wh9 h PRO 89 CO 0.62 0.22 -1.18 0.43 -0.23 0.00 0.00 178.00 177.86 1wh9 n SER 90 N -3.33 -5.65 -2.76 1.44 7.64 -1.26 -4.32 113.62 105.38 1wh9 n SER 90 Ca 0.01 -0.06 -0.01 0.00 1.01 0.00 0.00 58.87 59.81 1wh9 n SER 90 Cb 0.46 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 1wh9 n SER 90 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wh9 n SER 91 N 0.10 -7.96 0.00 6.43 7.64 -1.26 -5.34 113.62 113.22 1wh9 n SER 91 Ca -0.07 1.32 0.10 0.00 1.01 0.00 0.00 58.87 61.23 1wh9 n SER 91 Cb 0.65 -5.12 0.62 0.00 -1.01 0.00 0.00 64.21 59.36 1wh9 n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64