#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh9 s SER 2 N 0.00 0.95 -0.28 1.61 0.01 -1.26 -3.94 113.70 110.79 1wh9 s SER 2 Ca 0.00 -0.04 -0.25 0.00 1.31 0.00 0.00 55.95 56.97 1wh9 s SER 2 Cb 0.00 -0.30 0.14 0.00 0.21 0.00 0.00 66.02 66.07 1wh9 s SER 2 CO 0.00 -0.15 1.14 -0.55 0.41 0.00 0.00 173.24 174.10 1wh9 s SER 3 N 1.48 -0.34 0.12 2.44 0.15 -1.26 -5.13 113.70 111.16 1wh9 s SER 3 Ca -0.03 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.25 1wh9 s SER 3 Cb -0.13 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 1wh9 s SER 3 CO -0.03 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1wh9 n GLY 4 N 1.96 -3.08 0.67 9.45 0.00 -1.26 -4.96 105.19 107.97 1wh9 n GLY 4 Ca -0.12 -1.19 0.05 0.00 0.00 0.00 0.00 46.02 44.76 1wh9 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wh9 n SER 5 N -1.62 1.34 -4.65 1.61 3.41 -1.26 -4.77 113.62 107.68 1wh9 n SER 5 Ca 0.00 -2.84 -0.40 0.00 -0.26 0.00 0.00 58.87 55.37 1wh9 n SER 5 Cb 0.08 -0.38 -0.06 0.00 -0.26 0.00 0.00 64.21 63.59 1wh9 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wh9 s SER 6 N -2.38 6.66 0.00 4.04 0.01 -1.26 -4.76 113.70 116.02 1wh9 s SER 6 Ca 0.28 0.81 0.00 0.00 1.31 0.00 0.00 55.95 58.35 1wh9 s SER 6 Cb 0.28 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 64.15 1wh9 s SER 6 CO -0.06 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.87 1wh9 n GLY 7 N 3.92 -1.65 0.21 3.44 0.00 -1.26 -4.00 105.19 105.86 1wh9 n GLY 7 Ca -0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 46.02 44.58 1wh9 n GLY 7 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wh9 h PHE 8 N 0.00 -0.11 -0.46 1.61 3.57 -1.99 -1.43 116.94 118.13 1wh9 h PHE 8 Ca 0.00 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.61 1wh9 h PHE 8 Cb 0.00 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 1wh9 h PHE 8 CO 0.00 -0.16 0.12 -0.22 -2.23 0.00 0.00 178.31 175.82 1wh9 h LYS 9 N 0.08 0.26 0.28 1.11 3.64 -1.99 -0.50 116.57 119.46 1wh9 h LYS 9 Ca 0.27 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1wh9 h LYS 9 Cb 0.41 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1wh9 h LYS 9 CO -0.48 0.17 -0.14 0.00 -2.27 0.00 0.00 179.45 176.74 1wh9 h ALA 10 N 1.34 -0.38 -0.69 5.00 0.00 -1.42 0.12 119.26 123.23 1wh9 h ALA 10 Ca 0.23 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.13 1wh9 h ALA 10 Cb 0.27 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.11 1wh9 h ALA 10 CO -0.27 -0.62 0.19 0.93 0.00 0.00 0.00 179.25 179.48 1wh9 h GLU 11 N -0.57 0.30 -0.38 0.00 4.39 -1.09 0.38 114.58 117.62 1wh9 h GLU 11 Ca -0.04 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.51 1wh9 h GLU 11 Cb 0.42 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1wh9 h GLU 11 CO 0.06 0.20 -0.29 1.25 -1.16 0.00 0.00 179.01 179.07 1wh9 h LEU 12 N 0.31 0.92 0.00 1.33 5.85 -0.94 -0.22 115.31 122.56 1wh9 h LEU 12 Ca 0.38 -0.44 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1wh9 h LEU 12 Cb 0.59 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1wh9 h LEU 12 CO -0.44 1.16 -0.03 -1.13 -0.34 0.00 0.00 178.44 177.67 1wh9 h ASN 13 N 0.68 -0.08 0.13 1.25 -1.24 -0.05 0.62 115.58 116.89 1wh9 h ASN 13 Ca 0.07 0.01 -0.07 0.00 0.71 0.00 0.00 56.30 57.02 1wh9 h ASN 13 Cb 0.87 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.94 1wh9 h ASN 13 CO 0.08 -0.04 -0.26 -0.33 -1.29 0.00 0.00 177.43 175.59 1wh9 h GLU 14 N -0.05 0.22 0.49 6.67 4.39 -0.90 0.05 114.58 125.45 1wh9 h GLU 14 Ca 0.01 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1wh9 h GLU 14 Cb 0.06 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1wh9 h GLU 14 CO -0.03 0.47 -0.24 0.35 -1.16 0.00 0.00 179.01 178.40 1wh9 h PHE 15 N 0.20 -0.61 -0.40 4.33 3.57 -0.81 -3.32 116.94 119.89 1wh9 h PHE 15 Ca 0.03 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.63 1wh9 h PHE 15 Cb 0.57 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 1wh9 h PHE 15 CO 0.01 -0.38 0.30 -0.07 -2.23 0.00 0.00 178.31 175.94 1wh9 h LEU 16 N -0.92 0.00 -0.71 0.59 3.38 -0.74 -0.64 115.31 116.27 1wh9 h LEU 16 Ca -0.07 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.04 1wh9 h LEU 16 Cb 0.51 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.16 1wh9 h LEU 16 CO 0.11 0.00 0.24 0.74 0.09 0.00 0.00 178.44 179.62 1wh9 h THR 17 N 0.00 0.65 0.24 0.22 2.02 -1.08 -0.75 112.91 114.21 1wh9 h THR 17 Ca 0.19 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1wh9 h THR 17 Cb 0.79 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1wh9 h THR 17 CO -0.00 0.07 -0.12 0.03 0.37 0.00 0.00 175.52 175.87 1wh9 h ARG 18 N 0.38 -0.31 -0.91 6.66 -0.00 -1.25 -2.93 114.38 116.03 1wh9 h ARG 18 Ca 0.38 0.02 0.26 0.00 -0.50 0.00 0.00 59.98 60.14 1wh9 h ARG 18 Cb 0.58 0.07 -0.04 0.00 0.00 0.00 0.00 29.97 30.58 1wh9 h ARG 18 CO -0.41 -0.09 0.65 0.93 0.00 0.00 0.00 179.97 181.06 1wh9 h GLU 19 N -1.04 0.03 0.00 0.04 3.07 -1.22 -1.45 114.58 114.01 1wh9 h GLU 19 Ca -0.03 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 1wh9 h GLU 19 Cb 0.37 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.24 1wh9 h GLU 19 CO 0.05 0.02 -0.33 1.28 -1.40 0.00 0.00 179.01 178.63 1wh9 n LEU 20 N -4.29 1.50 0.14 1.33 4.77 -0.31 -4.86 117.00 115.29 1wh9 n LEU 20 Ca 0.19 -2.41 -0.12 0.00 -0.03 0.00 0.00 56.01 53.64 1wh9 n LEU 20 Cb 0.95 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.71 1wh9 n LEU 20 CO 0.38 0.63 0.51 0.00 -1.33 0.00 0.00 177.39 177.59 1wh9 h ALA 21 N 0.23 -0.95 0.00 -1.18 0.00 -1.06 -1.93 119.26 114.37 1wh9 h ALA 21 Ca -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1wh9 h ALA 21 Cb 1.22 0.69 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 1wh9 h ALA 21 CO 0.01 -1.01 -0.16 0.93 0.00 0.00 0.00 179.25 179.02 1wh9 h GLU 22 N -0.62 0.00 0.00 0.00 4.39 -1.88 -2.53 114.58 113.93 1wh9 h GLU 22 Ca -0.02 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 1wh9 h GLU 22 Cb 0.58 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1wh9 h GLU 22 CO -0.13 0.16 -0.22 -0.44 -1.16 0.00 0.00 179.01 177.21 1wh9 h ASP 23 N 0.00 0.00 0.00 1.42 5.19 -1.71 -3.46 116.42 117.86 1wh9 h ASP 23 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1wh9 h ASP 23 Cb 0.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1wh9 h ASP 23 CO 0.02 0.22 0.00 0.61 -3.12 0.00 0.00 179.24 176.97 1wh9 n GLY 24 N -0.34 1.83 3.60 2.75 0.00 -0.84 -4.25 105.19 107.96 1wh9 n GLY 24 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.54 0.75 0.00 1.61 9.36 -0.81 -1.99 117.16 125.54 1wh9 n TYR 25 Ca 0.00 0.45 0.00 0.00 3.32 0.00 0.00 57.90 61.67 1wh9 n TYR 25 Cb 0.00 -2.14 0.00 0.00 -0.63 0.00 0.00 39.34 36.57 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 -0.52 1.96 0.00 2.98 7.64 -0.56 -4.87 113.62 120.25 1wh9 n SER 26 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1wh9 n SER 26 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 2.61 -1.03 3.12 0.23 0.00 -0.73 -3.96 105.19 105.43 1wh9 n GLY 27 Ca 0.00 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.00 0.15 -0.05 1.61 0.11 -1.25 -0.49 120.40 117.47 1wh9 s VAL 28 Ca 0.00 -1.26 0.04 0.00 -2.93 0.00 0.00 61.98 57.83 1wh9 s VAL 28 Cb 0.00 -1.07 -0.02 0.00 -1.53 0.00 0.00 36.38 33.75 1wh9 s VAL 28 CO 0.00 -0.70 -0.17 -1.61 -3.33 0.00 0.00 175.10 169.29 1wh9 s GLU 29 N -3.04 2.53 -0.20 1.54 2.02 -0.03 -4.89 118.70 116.62 1wh9 s GLU 29 Ca -0.01 -0.75 -0.05 0.00 0.02 0.00 0.00 54.97 54.18 1wh9 s GLU 29 Cb 0.01 -2.33 -0.02 0.00 0.10 0.00 0.00 34.13 31.89 1wh9 s GLU 29 CO -0.07 0.56 -0.01 0.54 0.02 0.00 0.00 175.26 176.31 1wh9 s VAL 30 N -0.57 3.88 -0.22 2.63 0.11 -1.26 -0.48 120.40 124.49 1wh9 s VAL 30 Ca 0.08 -0.34 -0.05 0.00 -2.93 0.00 0.00 61.98 58.74 1wh9 s VAL 30 Cb -0.11 -2.75 -0.02 0.00 -1.53 0.00 0.00 36.38 31.97 1wh9 s VAL 30 CO 0.01 0.43 -0.00 -0.13 -3.33 0.00 0.00 175.10 172.08 1wh9 s ARG 31 N 1.01 3.54 -0.76 1.54 0.52 -0.31 -5.01 118.95 119.48 1wh9 s ARG 31 Ca 0.02 -0.55 -0.20 0.00 -0.52 0.00 0.00 55.73 54.47 1wh9 s ARG 31 Cb -0.14 -3.10 0.10 0.00 0.52 0.00 0.00 34.95 32.32 1wh9 s ARG 31 CO 0.01 -0.11 0.99 0.08 0.02 0.00 0.00 175.30 176.29 1wh9 s VAL 32 N 1.31 4.58 0.76 3.52 1.01 -1.26 -1.31 120.40 129.01 1wh9 s VAL 32 Ca 0.04 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 1wh9 s VAL 32 Cb -0.15 -4.69 0.05 0.00 0.00 0.00 0.00 36.38 31.59 1wh9 s VAL 32 CO 0.00 -1.42 1.12 0.42 0.00 0.00 0.00 175.10 175.22 1wh9 s THR 33 N 3.24 2.99 -1.74 3.92 -4.23 -1.23 -4.97 115.64 113.61 1wh9 s THR 33 Ca 0.25 0.32 0.24 0.00 -1.18 0.00 0.00 61.69 61.31 1wh9 s THR 33 Cb -0.13 -3.24 0.56 0.00 1.34 0.00 0.00 72.50 71.03 1wh9 s THR 33 CO 0.01 -0.42 1.79 -0.81 -0.54 0.00 0.00 174.62 174.65 1wh9 n PRO 34 N -3.23 0.57 -0.11 3.99 -0.04 -1.26 -4.20 135.00 130.72 1wh9 n PRO 34 Ca 0.07 0.03 -0.23 0.00 -0.04 0.00 0.00 63.50 63.34 1wh9 n PRO 34 Cb 0.58 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.13 1.27 -3.62 0.52 -2.24 -1.26 -5.07 114.28 102.75 1wh9 n THR 35 Ca 0.15 -0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.56 1wh9 n THR 35 Cb 0.13 -1.85 -0.03 0.00 -2.10 0.00 0.00 70.33 66.48 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 -2.45 1.35 0.28 -0.78 1.70 -1.26 -4.96 118.95 112.83 1wh9 s ARG 36 Ca -0.31 -0.72 -0.29 0.00 -0.47 0.00 0.00 55.73 53.94 1wh9 s ARG 36 Cb 0.11 0.55 -0.10 0.00 -0.57 0.00 0.00 34.95 34.95 1wh9 s ARG 36 CO 0.39 -0.58 1.14 0.99 -1.08 0.00 0.00 175.30 176.16 1wh9 s THR 37 N -3.82 3.37 -0.00 4.99 2.01 -0.02 -3.52 115.64 118.65 1wh9 s THR 37 Ca 0.06 1.37 0.03 0.00 0.31 0.00 0.00 61.69 63.45 1wh9 s THR 37 Cb -0.01 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 1wh9 s THR 37 CO -0.07 0.32 -0.06 -1.61 -0.69 0.00 0.00 174.62 172.52 1wh9 s GLU 38 N -1.42 2.59 -0.06 4.92 2.02 -0.43 -1.12 118.70 125.21 1wh9 s GLU 38 Ca 0.46 -0.70 -0.01 0.00 0.02 0.00 0.00 54.97 54.74 1wh9 s GLU 38 Cb -0.33 -2.53 0.03 0.00 0.10 0.00 0.00 34.13 31.40 1wh9 s GLU 38 CO 0.43 0.61 -0.01 0.42 0.02 0.00 0.00 175.26 176.72 1wh9 s ILE 39 N -1.00 0.41 -0.32 -1.63 1.01 -0.14 -1.16 121.20 118.38 1wh9 s ILE 39 Ca 0.17 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.89 1wh9 s ILE 39 Cb -0.11 -0.53 0.09 0.00 0.01 0.00 0.00 42.46 41.93 1wh9 s ILE 39 CO 0.07 0.24 0.04 -0.63 0.00 0.00 0.00 174.94 174.67 1wh9 s ILE 40 N 1.60 1.85 -0.01 2.92 1.09 0.37 -0.45 121.20 128.57 1wh9 s ILE 40 Ca -0.01 -1.97 -0.30 0.00 -1.10 0.00 0.00 60.65 57.28 1wh9 s ILE 40 Cb -0.13 -2.33 -0.06 0.00 -1.06 0.00 0.00 42.46 38.88 1wh9 s ILE 40 CO -0.04 -0.54 1.54 -0.63 -0.10 0.00 0.00 174.94 175.18 1wh9 s ILE 41 N 1.14 3.52 -0.30 2.92 1.01 -0.86 -0.85 121.20 127.77 1wh9 s ILE 41 Ca 0.08 0.83 -0.15 0.00 0.00 0.00 0.00 60.65 61.41 1wh9 s ILE 41 Cb -0.19 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 1wh9 s ILE 41 CO -0.12 -0.03 0.36 -0.76 0.00 0.00 0.00 174.94 174.39 1wh9 s LEU 42 N 3.04 4.17 0.00 2.97 1.43 0.35 -0.74 118.68 129.91 1wh9 s LEU 42 Ca 0.69 0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.84 1wh9 s LEU 42 Cb -0.34 -2.37 0.01 0.00 0.03 0.00 0.00 46.19 43.52 1wh9 s LEU 42 CO 0.28 -0.23 0.45 0.00 0.23 0.00 0.00 176.35 177.08 1wh9 n ALA 43 N 5.34 -0.49 0.07 4.21 0.00 -0.95 -1.50 120.51 127.20 1wh9 n ALA 43 Ca -0.09 -1.28 0.01 0.00 0.00 0.00 0.00 53.44 52.08 1wh9 n ALA 43 Cb 0.50 1.03 -0.04 0.00 0.00 0.00 0.00 19.45 20.94 1wh9 n ALA 43 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1wh9 h THR 44 N 1.83 0.62 -2.63 0.00 1.35 -1.69 -0.77 112.91 111.62 1wh9 h THR 44 Ca -0.23 -2.05 -0.60 0.00 -0.55 0.00 0.00 66.41 62.97 1wh9 h THR 44 Cb 0.98 2.16 -0.40 0.00 -1.73 0.00 0.00 68.15 69.16 1wh9 h THR 44 CO 0.31 0.36 -0.78 0.54 -0.25 0.00 0.00 175.52 175.70 1wh9 n ARG 45 N -3.00 1.14 -0.34 4.72 5.12 -1.26 -4.82 116.66 118.20 1wh9 n ARG 45 Ca -0.05 -3.87 0.04 0.00 -1.93 0.00 0.00 57.85 52.04 1wh9 n ARG 45 Cb 0.79 -1.95 0.20 0.00 -1.16 0.00 0.00 32.46 30.34 1wh9 n ARG 45 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 1wh9 h THR 46 N 4.21 0.98 0.00 0.55 1.35 -1.87 -1.65 112.91 116.48 1wh9 h THR 46 Ca 0.20 -0.34 -0.02 0.00 -0.55 0.00 0.00 66.41 65.69 1wh9 h THR 46 Cb 0.82 -0.11 -0.00 0.00 -1.73 0.00 0.00 68.15 67.12 1wh9 h THR 46 CO 0.57 0.18 -0.10 -0.61 -0.25 0.00 0.00 175.52 175.31 1wh9 h GLN 47 N 1.00 0.00 -0.07 4.72 5.75 -1.95 0.54 115.11 125.11 1wh9 h GLN 47 Ca 0.45 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.87 1wh9 h GLN 47 Cb 0.34 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.89 1wh9 h GLN 47 CO -0.23 0.10 -0.25 -0.97 -2.65 0.00 0.00 178.83 174.83 1wh9 h ASN 48 N 0.00 0.35 -0.28 -0.69 -1.24 -1.65 -0.26 115.58 111.79 1wh9 h ASN 48 Ca -0.00 -0.62 -0.09 0.00 0.71 0.00 0.00 56.30 56.29 1wh9 h ASN 48 Cb 0.55 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.48 1wh9 h ASN 48 CO 0.01 0.91 -0.13 0.58 -1.29 0.00 0.00 177.43 177.52 1wh9 h VAL 49 N -0.20 1.25 -0.49 2.57 2.07 -1.30 -1.53 116.25 118.62 1wh9 h VAL 49 Ca -0.01 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.29 1wh9 h VAL 49 Cb 0.89 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1wh9 h VAL 49 CO 0.05 0.39 0.06 -0.07 0.02 0.00 0.00 177.57 178.03 1wh9 h LEU 50 N 0.64 0.79 0.00 2.57 3.38 -0.95 -2.22 115.31 119.53 1wh9 h LEU 50 Ca 0.11 -0.27 0.18 0.00 0.09 0.00 0.00 57.88 57.99 1wh9 h LEU 50 Cb 0.58 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1wh9 h LEU 50 CO 0.04 0.86 -0.24 0.61 0.09 0.00 0.00 178.44 179.80 1wh9 n GLY 51 N -0.50 -2.07 3.63 0.83 0.00 -0.11 -0.90 105.19 106.07 1wh9 n GLY 51 Ca 0.01 -1.35 -0.49 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.50 1.88 -0.57 1.61 2.13 -1.26 -1.52 120.64 120.41 1wh9 n GLU 52 Ca 0.00 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.47 1wh9 n GLU 52 Cb 0.30 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.36 1wh9 n GLU 52 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1wh9 n LYS 53 N 7.17 -1.62 0.00 5.31 4.76 -1.26 -1.23 118.16 131.29 1wh9 n LYS 53 Ca 0.27 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.97 1wh9 n LYS 53 Cb 0.29 -3.92 0.00 0.00 -1.84 0.00 0.00 35.03 29.56 1wh9 n LYS 53 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wh9 n GLY 54 N 0.34 1.27 0.39 0.72 0.00 -0.57 -5.06 105.19 102.28 1wh9 n GLY 54 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1wh9 n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1wh9 h ARG 55 N 0.37 -0.92 -0.19 1.61 2.43 -0.46 -3.22 114.38 113.99 1wh9 h ARG 55 Ca 0.00 0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 1wh9 h ARG 55 Cb 0.00 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1wh9 h ARG 55 CO 0.00 -0.60 -0.29 -0.09 -1.51 0.00 0.00 179.97 177.48 1wh9 h ARG 56 N -0.99 0.38 -0.63 0.20 9.65 -1.22 -0.66 114.38 121.10 1wh9 h ARG 56 Ca -0.10 -0.14 0.03 0.00 -1.10 0.00 0.00 59.98 58.67 1wh9 h ARG 56 Cb 0.74 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.26 1wh9 h ARG 56 CO 0.16 0.63 0.39 0.97 2.80 0.00 0.00 179.97 184.92 1wh9 h ILE 57 N 0.33 1.07 -0.38 1.20 2.10 -1.15 0.11 117.51 120.80 1wh9 h ILE 57 Ca 0.05 -0.26 -0.14 0.00 1.08 0.00 0.00 64.86 65.58 1wh9 h ILE 57 Cb 0.68 0.25 -0.01 0.00 -1.09 0.00 0.00 36.82 36.64 1wh9 h ILE 57 CO 0.05 0.14 -0.33 -0.09 -1.08 0.00 0.00 178.15 176.84 1wh9 h ARG 58 N 0.76 0.86 -0.07 2.19 2.43 -1.30 -0.24 114.38 119.02 1wh9 h ARG 58 Ca 0.26 -0.42 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1wh9 h ARG 58 Cb 0.03 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1wh9 h ARG 58 CO -0.11 1.06 0.03 0.93 -1.51 0.00 0.00 179.97 180.38 1wh9 h GLU 59 N 0.72 0.11 -0.03 0.20 5.08 -0.81 -2.41 114.58 117.45 1wh9 h GLU 59 Ca 0.07 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1wh9 h GLU 59 Cb 0.90 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 1wh9 h GLU 59 CO 0.08 0.21 0.02 -0.07 -1.00 0.00 0.00 179.01 178.25 1wh9 h LEU 60 N -0.01 0.00 0.67 1.33 3.38 -0.68 -1.67 115.31 118.33 1wh9 h LEU 60 Ca 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1wh9 h LEU 60 Cb 0.13 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1wh9 h LEU 60 CO -0.00 0.00 -0.32 0.74 0.09 0.00 0.00 178.44 178.95 1wh9 h THR 61 N 0.00 0.33 0.04 0.22 2.02 -0.57 -1.84 112.91 113.11 1wh9 h THR 61 Ca 0.01 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1wh9 h THR 61 Cb 0.06 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1wh9 h THR 61 CO -0.00 0.01 -0.04 0.00 0.37 0.00 0.00 175.52 175.86 1wh9 h ALA 62 N -0.62 -0.07 0.14 6.16 0.00 -0.92 0.10 119.26 124.06 1wh9 h ALA 62 Ca -0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1wh9 h ALA 62 Cb 0.70 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1wh9 h ALA 62 CO 0.15 -0.55 -0.10 -0.24 0.00 0.00 0.00 179.25 178.51 1wh9 h VAL 63 N -0.09 0.78 -0.66 0.00 3.04 -1.40 -1.39 116.25 116.53 1wh9 h VAL 63 Ca 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.73 1wh9 h VAL 63 Cb 0.09 0.78 -0.05 0.00 -2.01 0.00 0.00 31.29 30.09 1wh9 h VAL 63 CO -0.01 0.00 0.39 0.58 -1.01 0.00 0.00 177.57 177.52 1wh9 h VAL 64 N -0.25 1.03 -0.74 1.51 2.07 -1.18 0.14 116.25 118.84 1wh9 h VAL 64 Ca -0.01 -0.26 0.12 0.00 0.82 0.00 0.00 66.70 67.37 1wh9 h VAL 64 Cb 0.22 0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 30.13 1wh9 h VAL 64 CO -0.00 0.14 0.34 1.56 0.02 0.00 0.00 177.57 179.62 1wh9 h GLN 65 N 0.75 0.52 0.10 1.57 4.20 -0.42 -0.09 115.11 121.74 1wh9 h GLN 65 Ca 0.28 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 1wh9 h GLN 65 Cb 0.09 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1wh9 h GLN 65 CO -0.14 0.34 -0.05 0.87 -0.67 0.00 0.00 178.83 179.19 1wh9 h LYS 66 N 0.53 -0.13 -0.22 1.46 1.57 -0.45 0.34 116.57 119.68 1wh9 h LYS 66 Ca 0.39 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.24 1wh9 h LYS 66 Cb 0.51 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1wh9 h LYS 66 CO -0.33 0.37 0.31 -0.09 -0.57 0.00 0.00 179.45 179.13 1wh9 h ARG 67 N -0.77 0.00 0.00 3.15 1.12 -0.26 -2.66 114.38 114.96 1wh9 h ARG 67 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1wh9 h ARG 67 Cb 0.57 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.53 1wh9 h ARG 67 CO 0.02 0.00 0.00 1.19 -3.11 0.00 0.00 179.97 178.07 1wh9 n PHE 68 N -3.54 0.00 -0.81 2.20 3.72 -0.09 -5.05 117.46 113.90 1wh9 n PHE 68 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1wh9 n PHE 68 Cb 0.43 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 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 0.19 0.66 3.76 1.37 0.00 0.00 -5.03 105.19 106.15 1wh9 n GLY 69 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.36 2.46 0.97 1.61 0.08 -0.56 -4.97 117.98 115.20 1wh9 s PHE 70 Ca 0.00 1.30 -0.11 0.00 0.12 0.00 0.00 56.93 58.24 1wh9 s PHE 70 Cb 0.00 -3.87 0.17 0.00 -0.57 0.00 0.00 43.02 38.76 1wh9 s PHE 70 CO 0.00 -2.84 1.10 -2.14 -0.10 0.00 0.00 175.22 171.24 1wh9 s PRO 71 N -2.54 0.63 0.35 0.24 0.02 -1.26 -4.73 135.00 127.71 1wh9 s PRO 71 Ca 0.63 1.16 -0.28 0.00 0.02 0.00 0.00 61.00 62.54 1wh9 s PRO 71 Cb -0.42 -1.71 -0.09 0.00 0.02 0.00 0.00 34.50 32.29 1wh9 s PRO 71 CO 0.53 -2.77 1.24 -1.21 -0.33 0.00 0.00 177.00 174.46 1wh9 s GLU 72 N -4.68 4.27 0.00 5.54 2.02 -1.26 -3.69 118.70 120.90 1wh9 s GLU 72 Ca 0.66 2.05 0.00 0.00 0.02 0.00 0.00 54.97 57.70 1wh9 s GLU 72 Cb -0.22 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 31.07 1wh9 s GLU 72 CO 0.59 -0.20 0.00 0.41 0.02 0.00 0.00 175.26 176.08 1wh9 n GLY 73 N 0.81 1.08 0.00 -1.39 0.00 -1.26 -4.63 105.19 99.79 1wh9 n GLY 73 Ca 0.01 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 2.04 0.00 -4.24 1.61 7.64 -1.25 -4.36 113.62 115.07 1wh9 n SER 74 Ca 0.00 0.04 -0.27 0.00 1.01 0.00 0.00 58.87 59.65 1wh9 n SER 74 Cb 0.00 -0.24 -0.15 0.00 -1.01 0.00 0.00 64.21 62.81 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 -2.48 1.68 -0.07 0.44 0.11 -1.24 -0.84 120.40 118.00 1wh9 s VAL 75 Ca 0.12 -0.99 0.02 0.00 -2.93 0.00 0.00 61.98 58.20 1wh9 s VAL 75 Cb 0.08 -1.41 0.01 0.00 -1.53 0.00 0.00 36.38 33.53 1wh9 s VAL 75 CO 0.17 0.40 -0.13 -0.70 -3.33 0.00 0.00 175.10 171.50 1wh9 s GLU 76 N -0.69 1.81 -0.13 1.54 2.56 -0.27 -4.94 118.70 118.58 1wh9 s GLU 76 Ca 0.08 -0.46 -0.06 0.00 0.00 0.00 0.00 54.97 54.54 1wh9 s GLU 76 Cb -0.08 -1.48 -0.04 0.00 2.00 0.00 0.00 34.13 34.53 1wh9 s GLU 76 CO -0.00 0.05 0.09 -0.51 -0.56 0.00 0.00 175.26 174.33 1wh9 s LEU 77 N 0.61 4.09 0.26 2.70 1.02 -1.26 -0.97 118.68 125.13 1wh9 s LEU 77 Ca -0.15 0.31 0.03 0.00 0.02 0.00 0.00 54.13 54.35 1wh9 s LEU 77 Cb -0.16 -1.99 -0.06 0.00 0.02 0.00 0.00 46.19 44.01 1wh9 s LEU 77 CO 0.04 0.35 0.03 -0.31 0.02 0.00 0.00 176.35 176.48 1wh9 s TYR 78 N -0.70 1.70 -0.04 0.29 2.02 0.40 -4.96 117.35 116.05 1wh9 s TYR 78 Ca 0.12 -0.96 -0.02 0.00 -0.37 0.00 0.00 57.07 55.84 1wh9 s TYR 78 Cb -0.12 -1.02 0.03 0.00 -0.40 0.00 0.00 41.96 40.45 1wh9 s TYR 78 CO 0.03 -0.05 0.05 0.00 -1.57 0.00 0.00 175.55 174.00 1wh9 s ALA 79 N -3.41 0.30 0.11 3.71 0.00 -1.26 -2.03 121.76 119.17 1wh9 s ALA 79 Ca 0.32 0.14 0.10 0.00 0.00 0.00 0.00 51.96 52.53 1wh9 s ALA 79 Cb 0.07 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1wh9 s ALA 79 CO 0.12 -0.48 -0.25 -2.00 0.00 0.00 0.00 175.76 173.15 1wh9 s GLU 80 N 2.12 1.59 0.44 0.00 2.56 0.09 -4.95 118.70 120.54 1wh9 s GLU 80 Ca 0.05 -1.25 -0.22 0.00 0.00 0.00 0.00 54.97 53.54 1wh9 s GLU 80 Cb -0.12 -1.97 -0.09 0.00 2.00 0.00 0.00 34.13 33.95 1wh9 s GLU 80 CO -0.03 0.47 1.05 0.15 -0.56 0.00 0.00 175.26 176.34 1wh9 s LYS 81 N -1.87 3.98 0.42 4.30 1.02 -1.26 -2.23 119.74 124.10 1wh9 s LYS 81 Ca 0.14 1.47 -0.03 0.00 0.02 0.00 0.00 55.97 57.57 1wh9 s LYS 81 Cb -0.10 -2.34 -0.04 0.00 -0.52 0.00 0.00 37.83 34.83 1wh9 s LYS 81 CO 0.06 -0.30 0.69 0.08 -0.92 0.00 0.00 175.35 174.97 1wh9 s VAL 82 N -1.79 4.98 0.60 3.17 1.01 -0.29 -4.80 120.40 123.28 1wh9 s VAL 82 Ca 0.62 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.54 1wh9 s VAL 82 Cb -0.20 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.35 1wh9 s VAL 82 CO 0.25 -0.72 0.88 0.00 0.00 0.00 0.00 175.10 175.51 1wh9 s ALA 83 N -2.56 3.47 0.25 5.51 0.00 -1.26 -4.96 121.76 122.20 1wh9 s ALA 83 Ca 0.45 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1wh9 s ALA 83 Cb -0.10 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.61 1wh9 s ALA 83 CO 0.41 -0.90 0.00 2.41 0.00 0.00 0.00 175.76 177.67 1wh9 n THR 84 N -2.57 0.00 -3.78 0.00 -1.04 -1.26 -4.93 114.28 100.70 1wh9 n THR 84 Ca 0.06 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.80 1wh9 n THR 84 Cb 0.59 -0.37 0.01 0.00 -1.82 0.00 0.00 70.33 68.74 1wh9 n THR 84 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1wh9 n ARG 85 N -3.65 -1.23 -0.17 -2.82 0.63 -1.26 -4.58 116.66 103.58 1wh9 n ARG 85 Ca 0.01 0.66 0.00 0.00 -0.92 0.00 0.00 57.85 57.59 1wh9 n ARG 85 Cb 0.49 -2.75 0.00 0.00 0.45 0.00 0.00 32.46 30.65 1wh9 n ARG 85 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wh9 n GLY 86 N -1.76 -0.23 0.24 5.14 0.00 -1.26 -5.11 105.19 102.22 1wh9 n GLY 86 Ca -0.24 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 0.00 0.00 1.61 7.64 -1.26 -5.02 113.62 116.58 1wh9 n SER 87 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wh9 n SER 87 Cb 0.00 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1wh9 n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh9 n GLY 88 N 1.99 1.66 3.68 0.23 0.00 -1.26 -5.11 105.19 106.38 1wh9 n GLY 88 Ca 0.00 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 1wh9 n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh9 s PRO 89 N -2.00 4.16 -0.39 1.61 0.04 -1.26 -4.94 135.00 132.22 1wh9 s PRO 89 Ca 0.00 2.50 0.01 0.00 0.04 0.00 0.00 61.00 63.55 1wh9 s PRO 89 Cb 0.00 -3.84 0.14 0.00 0.04 0.00 0.00 34.50 30.83 1wh9 s PRO 89 CO 0.00 -0.86 0.22 -1.12 0.04 0.00 0.00 177.00 175.27 1wh9 s SER 90 N 3.34 3.30 0.09 6.66 0.01 -1.26 -5.10 113.70 120.74 1wh9 s SER 90 Ca 0.81 -2.34 -0.23 0.00 1.31 0.00 0.00 55.95 55.51 1wh9 s SER 90 Cb -0.42 -0.68 0.06 0.00 0.21 0.00 0.00 66.02 65.19 1wh9 s SER 90 CO 0.37 -0.30 0.55 -0.55 0.41 0.00 0.00 173.24 173.72 1wh9 s SER 91 N 0.81 -0.48 0.00 2.44 0.15 -1.26 -5.28 113.70 110.07 1wh9 s SER 91 Ca 0.17 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1wh9 s SER 91 Cb -0.23 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1wh9 s SER 91 CO -0.01 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.23