#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 3.18 -3.55 1.61 7.64 -1.26 -4.72 113.62 116.52 1wh9 n SER 2 Ca 0.00 -2.74 -0.08 0.00 1.01 0.00 0.00 58.87 57.06 1wh9 n SER 2 Cb 0.00 -1.46 -0.02 0.00 -1.01 0.00 0.00 64.21 61.72 1wh9 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wh9 s SER 3 N 5.09 -0.38 0.00 6.43 0.01 -1.26 -5.09 113.70 118.51 1wh9 s SER 3 Ca 0.59 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.73 1wh9 s SER 3 Cb 0.09 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.81 1wh9 s SER 3 CO 0.09 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.52 1wh9 n GLY 4 N -0.34 0.15 2.58 3.44 0.00 -1.26 -4.96 105.19 104.80 1wh9 n GLY 4 Ca -0.10 -0.44 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 1wh9 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh9 n SER 5 N -0.27 -2.91 -4.54 1.61 7.64 -1.26 -4.80 113.62 109.08 1wh9 n SER 5 Ca 0.00 1.32 -0.32 0.00 1.01 0.00 0.00 58.87 60.88 1wh9 n SER 5 Cb 0.05 -5.10 0.15 0.00 -1.01 0.00 0.00 64.21 58.30 1wh9 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wh9 n SER 6 N 1.29 -0.83 0.00 6.43 7.64 -1.26 -4.03 113.62 122.87 1wh9 n SER 6 Ca -0.27 0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1wh9 n SER 6 Cb 0.42 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1wh9 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh9 n GLY 7 N 0.86 0.90 0.32 0.23 0.00 -1.26 -4.81 105.19 101.44 1wh9 n GLY 7 Ca 0.09 -1.65 -0.01 0.00 0.00 0.00 0.00 46.02 44.45 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 0.02 -0.31 1.61 7.35 -1.26 -0.31 117.46 124.55 1wh9 n PHE 8 Ca 0.00 1.04 0.07 0.00 -0.76 0.00 0.00 57.45 57.79 1wh9 n PHE 8 Cb 0.00 -0.81 0.22 0.00 0.35 0.00 0.00 39.48 39.24 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 0.71 0.03 -4.13 1.63 -1.88 0.82 116.57 113.76 1wh9 h LYS 9 Ca 0.29 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.04 1wh9 h LYS 9 Cb 0.50 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1wh9 h LYS 9 CO -0.83 0.47 -0.02 0.00 -3.45 0.00 0.00 179.45 175.62 1wh9 h ALA 10 N 1.54 -0.04 -0.99 5.00 0.00 -0.89 -2.60 119.26 121.27 1wh9 h ALA 10 Ca 0.46 -0.28 0.16 0.00 0.00 0.00 0.00 54.91 55.24 1wh9 h ALA 10 Cb 0.58 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.29 1wh9 h ALA 10 CO -0.32 -0.23 0.60 0.93 0.00 0.00 0.00 179.25 180.23 1wh9 h GLU 11 N -0.64 0.82 -0.29 0.00 3.07 -0.78 0.37 114.58 117.13 1wh9 h GLU 11 Ca -0.00 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 58.68 1wh9 h GLU 11 Cb 0.58 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1wh9 h GLU 11 CO 0.01 0.54 -0.32 1.25 -1.40 0.00 0.00 179.01 179.09 1wh9 h LEU 12 N 0.84 0.78 -0.52 1.33 5.85 -0.90 -0.75 115.31 121.94 1wh9 h LEU 12 Ca 0.53 -0.48 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1wh9 h LEU 12 Cb 0.70 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1wh9 h LEU 12 CO -0.33 1.10 0.22 -1.13 -0.34 0.00 0.00 178.44 177.96 1wh9 h ASN 13 N 0.47 0.70 0.10 1.25 -1.24 -0.96 -0.98 115.58 114.92 1wh9 h ASN 13 Ca 0.04 -0.16 -0.04 0.00 0.71 0.00 0.00 56.30 56.86 1wh9 h ASN 13 Cb 0.89 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.75 1wh9 h ASN 13 CO 0.08 0.67 -0.13 -0.33 -1.29 0.00 0.00 177.43 176.42 1wh9 h GLU 14 N 0.69 0.08 0.38 6.67 4.39 -0.87 -1.57 114.58 124.36 1wh9 h GLU 14 Ca 0.17 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 1wh9 h GLU 14 Cb 0.18 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1wh9 h GLU 14 CO -0.02 0.22 -0.18 0.35 -1.16 0.00 0.00 179.01 178.22 1wh9 h PHE 15 N 0.08 -0.48 -0.56 4.33 3.57 -0.75 -3.36 116.94 119.77 1wh9 h PHE 15 Ca 0.02 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1wh9 h PHE 15 Cb 0.29 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1wh9 h PHE 15 CO 0.00 -0.30 0.38 -0.07 -2.23 0.00 0.00 178.31 176.09 1wh9 h LEU 16 N -0.74 0.32 -0.80 0.59 3.38 -1.01 -1.19 115.31 115.85 1wh9 h LEU 16 Ca -0.05 0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.12 1wh9 h LEU 16 Cb 0.40 -0.06 -0.13 0.00 0.09 0.00 0.00 40.66 40.95 1wh9 h LEU 16 CO 0.09 0.19 0.09 0.74 0.09 0.00 0.00 178.44 179.64 1wh9 h THR 17 N 0.35 0.34 0.19 0.22 2.02 -1.44 -0.62 112.91 113.97 1wh9 h THR 17 Ca 0.26 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 1wh9 h THR 17 Cb 0.55 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1wh9 h THR 17 CO -0.06 0.03 -0.09 0.03 0.37 0.00 0.00 175.52 175.79 1wh9 h ARG 18 N 0.15 -0.24 -0.28 6.66 -0.00 -1.40 -2.55 114.38 116.72 1wh9 h ARG 18 Ca 0.46 0.02 0.08 0.00 -0.50 0.00 0.00 59.98 60.04 1wh9 h ARG 18 Cb 0.85 0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.86 1wh9 h ARG 18 CO -0.66 0.08 0.28 0.93 0.00 0.00 0.00 179.97 180.60 1wh9 h GLU 19 N -0.98 0.00 0.00 0.04 3.07 -1.48 -2.22 114.58 113.02 1wh9 h GLU 19 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1wh9 h GLU 19 Cb 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1wh9 h GLU 19 CO 0.04 0.00 -0.08 1.28 -1.40 0.00 0.00 179.01 178.85 1wh9 n LEU 20 N -3.90 1.89 0.14 1.33 4.77 -0.26 -4.88 117.00 116.09 1wh9 n LEU 20 Ca 0.04 -2.59 -0.10 0.00 -0.03 0.00 0.00 56.01 53.32 1wh9 n LEU 20 Cb 0.43 -0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1wh9 n LEU 20 CO 0.29 0.60 0.51 0.00 -1.33 0.00 0.00 177.39 177.47 1wh9 h ALA 21 N 0.00 -0.94 0.00 -1.18 0.00 -0.95 -1.97 119.26 114.23 1wh9 h ALA 21 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1wh9 h ALA 21 Cb 1.02 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1wh9 h ALA 21 CO 0.00 -0.97 -0.12 0.93 0.00 0.00 0.00 179.25 179.09 1wh9 h GLU 22 N -0.54 0.00 0.00 0.00 4.39 -1.88 -3.21 114.58 113.34 1wh9 h GLU 22 Ca -0.03 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1wh9 h GLU 22 Cb 0.49 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1wh9 h GLU 22 CO -0.07 0.12 -0.10 -0.44 -1.16 0.00 0.00 179.01 177.35 1wh9 h ASP 23 N 0.00 0.00 0.00 1.42 5.19 -1.70 -3.45 116.42 117.87 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 0.63 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.14 1wh9 h ASP 23 CO 0.01 0.10 0.00 0.61 -3.12 0.00 0.00 179.24 176.85 1wh9 n GLY 24 N -0.69 1.95 3.62 2.75 0.00 -1.07 -4.28 105.19 107.46 1wh9 n GLY 24 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1wh9 n GLY 24 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wh9 s TYR 25 N -2.00 1.73 0.11 1.61 5.04 -1.10 -1.38 117.35 121.36 1wh9 s TYR 25 Ca 0.00 1.39 0.00 0.00 -2.44 0.00 0.00 57.07 56.02 1wh9 s TYR 25 Cb 0.00 -3.19 0.00 0.00 0.35 0.00 0.00 41.96 39.12 1wh9 s TYR 25 CO 0.00 -3.10 0.00 0.43 -1.34 0.00 0.00 175.55 171.54 1wh9 n SER 26 N -4.40 -0.49 -1.53 4.32 7.64 -0.87 -4.80 113.62 113.49 1wh9 n SER 26 Ca 0.07 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1wh9 n SER 26 Cb 0.54 0.63 0.00 0.00 -1.01 0.00 0.00 64.21 64.37 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 0.45 0.83 3.24 0.23 0.00 -0.86 -5.04 105.19 104.05 1wh9 n GLY 27 Ca 0.00 -0.92 -0.12 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 -2.28 -0.02 0.28 1.61 0.11 -1.26 -0.38 120.40 118.45 1wh9 s VAL 28 Ca 0.05 0.06 0.06 0.00 -2.93 0.00 0.00 61.98 59.22 1wh9 s VAL 28 Cb -0.00 -0.55 -0.02 0.00 -1.53 0.00 0.00 36.38 34.28 1wh9 s VAL 28 CO 0.00 0.02 0.39 -1.61 -3.33 0.00 0.00 175.10 170.57 1wh9 s GLU 29 N 0.85 3.28 -0.02 1.54 2.02 0.11 -4.86 118.70 121.63 1wh9 s GLU 29 Ca -0.05 -0.88 -0.04 0.00 0.02 0.00 0.00 54.97 54.02 1wh9 s GLU 29 Cb -0.06 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.34 1wh9 s GLU 29 CO -0.06 0.30 0.10 0.54 0.02 0.00 0.00 175.26 176.15 1wh9 s VAL 30 N -2.06 0.05 0.29 2.63 0.11 -1.26 -0.75 120.40 119.40 1wh9 s VAL 30 Ca 0.38 -0.38 0.12 0.00 -2.93 0.00 0.00 61.98 59.17 1wh9 s VAL 30 Cb -0.09 -0.27 -0.05 0.00 -1.53 0.00 0.00 36.38 34.44 1wh9 s VAL 30 CO 0.29 -0.21 -0.19 -0.60 -3.33 0.00 0.00 175.10 171.07 1wh9 s ARG 31 N -0.67 1.69 -0.10 1.54 3.52 -0.34 -4.99 118.95 119.60 1wh9 s ARG 31 Ca -0.07 -1.78 -0.03 0.00 -0.13 0.00 0.00 55.73 53.71 1wh9 s ARG 31 Cb -0.05 -1.75 0.05 0.00 -1.56 0.00 0.00 34.95 31.64 1wh9 s ARG 31 CO 0.00 0.31 0.08 0.54 -0.81 0.00 0.00 175.30 175.43 1wh9 s VAL 32 N -2.53 -0.12 0.48 7.11 0.11 -1.26 -3.03 120.40 121.16 1wh9 s VAL 32 Ca 0.30 0.17 0.02 0.00 -2.93 0.00 0.00 61.98 59.55 1wh9 s VAL 32 Cb -0.04 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.44 1wh9 s VAL 32 CO 0.15 -0.02 0.02 0.42 -3.33 0.00 0.00 175.10 172.34 1wh9 s THR 33 N 2.17 1.25 -1.78 5.04 -4.23 -1.07 -5.01 115.64 112.01 1wh9 s THR 33 Ca 0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1wh9 s THR 33 Cb -0.14 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.38 1wh9 s THR 33 CO -0.06 0.00 0.84 -0.81 -0.54 0.00 0.00 174.62 174.05 1wh9 n PRO 34 N -1.18 0.94 0.00 3.99 -0.04 -1.26 -4.35 135.00 133.11 1wh9 n PRO 34 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1wh9 n PRO 34 Cb 0.67 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 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 -0.38 0.00 -3.82 0.52 -2.24 -1.26 -5.16 114.28 101.94 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 0.05 -1.12 -0.00 0.00 -2.10 0.00 0.00 70.33 67.16 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 -2.00 1.72 0.08 -0.78 1.70 -1.26 -4.92 118.95 113.48 1wh9 s ARG 36 Ca 0.00 -1.02 -0.02 0.00 -0.47 0.00 0.00 55.73 54.21 1wh9 s ARG 36 Cb 0.00 0.54 -0.05 0.00 -0.57 0.00 0.00 34.95 34.87 1wh9 s ARG 36 CO 0.00 -0.79 0.27 0.99 -1.08 0.00 0.00 175.30 174.69 1wh9 s THR 37 N -3.10 5.31 0.02 4.99 2.01 -0.06 -2.58 115.64 122.22 1wh9 s THR 37 Ca 0.14 -0.17 0.06 0.00 0.31 0.00 0.00 61.69 62.03 1wh9 s THR 37 Cb -0.04 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 1wh9 s THR 37 CO 0.07 0.14 -0.19 -1.61 -0.69 0.00 0.00 174.62 172.34 1wh9 s GLU 38 N -2.44 1.44 -0.09 4.92 2.02 -1.17 -1.89 118.70 121.49 1wh9 s GLU 38 Ca 0.36 -0.80 0.01 0.00 0.02 0.00 0.00 54.97 54.56 1wh9 s GLU 38 Cb -0.13 -1.46 0.02 0.00 0.10 0.00 0.00 34.13 32.66 1wh9 s GLU 38 CO 0.25 0.39 -0.10 0.42 0.02 0.00 0.00 175.26 176.23 1wh9 s ILE 39 N -0.63 1.10 -0.37 -1.63 1.01 -0.10 -1.19 121.20 119.38 1wh9 s ILE 39 Ca 0.07 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.34 1wh9 s ILE 39 Cb -0.08 -1.05 0.11 0.00 0.01 0.00 0.00 42.46 41.45 1wh9 s ILE 39 CO 0.01 0.36 0.11 -0.63 0.00 0.00 0.00 174.94 174.79 1wh9 s ILE 40 N 1.09 1.91 -0.06 2.92 1.09 0.07 -0.33 121.20 127.89 1wh9 s ILE 40 Ca -0.07 -2.29 -0.30 0.00 -1.10 0.00 0.00 60.65 56.90 1wh9 s ILE 40 Cb -0.14 -2.40 -0.03 0.00 -1.06 0.00 0.00 42.46 38.83 1wh9 s ILE 40 CO -0.01 -0.68 1.13 -0.63 -0.10 0.00 0.00 174.94 174.65 1wh9 s ILE 41 N 0.84 4.42 -0.45 2.92 1.09 -1.02 -0.71 121.20 128.28 1wh9 s ILE 41 Ca 0.12 1.73 -0.18 0.00 -1.10 0.00 0.00 60.65 61.22 1wh9 s ILE 41 Cb -0.20 -4.11 0.04 0.00 -1.06 0.00 0.00 42.46 37.13 1wh9 s ILE 41 CO -0.10 0.02 0.49 -0.76 -0.10 0.00 0.00 174.94 174.49 1wh9 s LEU 42 N 1.99 5.00 0.18 2.97 1.43 0.48 -1.31 118.68 129.42 1wh9 s LEU 42 Ca 0.54 -0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1wh9 s LEU 42 Cb -0.23 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 1wh9 s LEU 42 CO 0.22 -0.68 0.16 0.00 0.23 0.00 0.00 176.35 176.28 1wh9 s ALA 43 N 2.21 0.82 -0.03 4.21 0.00 -0.97 -2.03 121.76 125.97 1wh9 s ALA 43 Ca 0.12 -1.47 0.13 0.00 0.00 0.00 0.00 51.96 50.74 1wh9 s ALA 43 Cb -0.19 1.15 0.04 0.00 0.00 0.00 0.00 23.12 24.12 1wh9 s ALA 43 CO 0.12 -0.59 1.42 1.79 0.00 0.00 0.00 175.76 178.50 1wh9 h THR 44 N 2.65 1.15 -2.75 0.00 1.35 -1.52 -2.85 112.91 110.95 1wh9 h THR 44 Ca -0.34 -2.54 -0.61 0.00 -0.55 0.00 0.00 66.41 62.37 1wh9 h THR 44 Cb 1.23 2.51 -0.40 0.00 -1.73 0.00 0.00 68.15 69.76 1wh9 h THR 44 CO 0.53 0.64 -0.76 0.54 -0.25 0.00 0.00 175.52 176.22 1wh9 n ARG 45 N -3.31 1.10 -0.34 4.72 5.12 -1.26 -4.73 116.66 117.97 1wh9 n ARG 45 Ca 0.01 -3.90 0.18 0.00 -1.93 0.00 0.00 57.85 52.21 1wh9 n ARG 45 Cb 0.78 -2.01 0.40 0.00 -1.16 0.00 0.00 32.46 30.47 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 4.47 0.56 -0.76 0.55 1.35 -1.89 -1.11 112.91 116.09 1wh9 h THR 46 Ca 0.20 -0.19 -0.06 0.00 -0.55 0.00 0.00 66.41 65.81 1wh9 h THR 46 Cb 0.82 -0.06 -0.03 0.00 -1.73 0.00 0.00 68.15 67.15 1wh9 h THR 46 CO 0.56 0.10 0.25 -0.61 -0.25 0.00 0.00 175.52 175.57 1wh9 h GLN 47 N 0.57 1.17 -0.13 4.72 4.15 -1.93 -0.25 115.11 123.42 1wh9 h GLN 47 Ca 0.63 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.80 1wh9 h GLN 47 Cb 1.24 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.75 1wh9 h GLN 47 CO -0.42 0.99 0.08 -0.91 -1.93 0.00 0.00 178.83 176.63 1wh9 h ASN 48 N 1.13 0.13 -0.40 -0.69 2.35 -1.51 0.11 115.58 116.70 1wh9 h ASN 48 Ca 0.25 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.93 1wh9 h ASN 48 Cb 0.30 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1wh9 h ASN 48 CO -0.01 0.10 0.01 0.58 -1.65 0.00 0.00 177.43 176.46 1wh9 h VAL 49 N 0.16 1.26 -0.43 2.81 2.07 -1.32 -2.32 116.25 118.49 1wh9 h VAL 49 Ca 0.05 -0.99 -0.08 0.00 0.82 0.00 0.00 66.70 66.50 1wh9 h VAL 49 Cb -0.01 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1wh9 h VAL 49 CO -0.02 0.33 -0.07 -0.07 0.02 0.00 0.00 177.57 177.77 1wh9 h LEU 50 N 0.52 0.72 -0.06 2.57 3.38 -1.00 -3.11 115.31 118.33 1wh9 h LEU 50 Ca 0.11 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 57.96 1wh9 h LEU 50 Cb 0.46 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1wh9 h LEU 50 CO 0.02 0.83 -0.12 0.61 0.09 0.00 0.00 178.44 179.87 1wh9 n GLY 51 N -0.55 -1.68 3.67 0.83 0.00 0.38 -0.95 105.19 106.90 1wh9 n GLY 51 Ca 0.02 -1.45 -0.46 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.11 2.18 -3.88 1.61 2.13 -1.26 -3.01 120.64 116.31 1wh9 n GLU 52 Ca -0.00 0.79 -0.31 0.00 0.66 0.00 0.00 57.16 58.30 1wh9 n GLU 52 Cb 0.12 -2.58 0.00 0.00 0.27 0.00 0.00 31.44 29.25 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 4.04 -4.23 -1.00 5.31 4.76 -1.26 -1.30 118.16 124.47 1wh9 n LYS 53 Ca 0.18 0.50 -0.00 0.00 -2.87 0.00 0.00 58.31 56.12 1wh9 n LYS 53 Cb 0.29 -5.30 -0.00 0.00 -1.84 0.00 0.00 35.03 28.18 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 -1.47 0.27 0.27 0.72 0.00 -1.16 -4.92 105.19 98.91 1wh9 n GLY 54 Ca 0.04 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 0.54 -0.27 -0.28 1.61 3.08 -0.67 -2.26 114.38 116.13 1wh9 h ARG 55 Ca -0.00 0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1wh9 h ARG 55 Cb 0.46 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1wh9 h ARG 55 CO 0.00 -0.18 -0.17 0.00 -1.07 0.00 0.00 179.97 178.55 1wh9 h ARG 56 N -0.28 0.60 -0.78 0.04 -0.00 -1.26 -2.80 114.38 109.90 1wh9 h ARG 56 Ca 0.11 -0.28 -0.00 0.00 -0.50 0.00 0.00 59.98 59.31 1wh9 h ARG 56 Cb 0.46 -0.01 -0.04 0.00 0.00 0.00 0.00 29.97 30.38 1wh9 h ARG 56 CO -0.34 0.86 0.47 0.97 0.00 0.00 0.00 179.97 181.94 1wh9 h ILE 57 N 0.34 1.22 0.16 2.04 2.10 -1.18 0.34 117.51 122.53 1wh9 h ILE 57 Ca 0.06 -0.47 0.00 0.00 1.08 0.00 0.00 64.86 65.53 1wh9 h ILE 57 Cb 0.70 0.12 -0.01 0.00 -1.09 0.00 0.00 36.82 36.54 1wh9 h ILE 57 CO 0.05 0.22 -0.15 -0.09 -1.08 0.00 0.00 178.15 177.10 1wh9 h ARG 58 N 1.07 -0.33 0.00 2.19 1.12 -1.38 0.10 114.38 117.15 1wh9 h ARG 58 Ca 0.28 0.02 -0.10 0.00 -1.11 0.00 0.00 59.98 59.07 1wh9 h ARG 58 Cb -0.05 0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 29.97 1wh9 h ARG 58 CO -0.05 -0.22 -0.47 0.93 -3.11 0.00 0.00 179.97 177.05 1wh9 h GLU 59 N -0.34 0.00 0.00 0.20 4.39 -1.14 -1.79 114.58 115.89 1wh9 h GLU 59 Ca 0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1wh9 h GLU 59 Cb 0.32 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1wh9 h GLU 59 CO -0.04 0.47 -0.48 -0.07 -1.16 0.00 0.00 179.01 177.73 1wh9 h LEU 60 N 0.00 0.00 0.38 1.33 3.38 -0.14 -1.12 115.31 119.13 1wh9 h LEU 60 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1wh9 h LEU 60 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1wh9 h LEU 60 CO 0.06 0.48 -0.18 0.74 0.09 0.00 0.00 178.44 179.63 1wh9 h THR 61 N 0.00 0.58 -0.22 0.22 2.02 -0.63 -3.07 112.91 111.82 1wh9 h THR 61 Ca -0.01 -0.51 0.04 0.00 0.77 0.00 0.00 66.41 66.71 1wh9 h THR 61 Cb 1.37 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 1wh9 h THR 61 CO 0.06 0.09 -0.07 0.00 0.37 0.00 0.00 175.52 175.97 1wh9 h ALA 62 N -0.36 0.13 -0.26 6.16 0.00 -1.19 0.14 119.26 123.87 1wh9 h ALA 62 Ca -0.05 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1wh9 h ALA 62 Cb 0.53 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1wh9 h ALA 62 CO 0.08 -0.49 0.13 -0.24 0.00 0.00 0.00 179.25 178.73 1wh9 h VAL 63 N -0.02 0.98 -0.97 0.00 3.04 -1.35 -2.16 116.25 115.77 1wh9 h VAL 63 Ca 0.11 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 1wh9 h VAL 63 Cb 0.18 0.69 -0.05 0.00 -2.01 0.00 0.00 31.29 30.11 1wh9 h VAL 63 CO -0.23 0.05 0.62 0.58 -1.01 0.00 0.00 177.57 177.57 1wh9 h VAL 64 N 0.27 1.26 -0.66 1.51 2.07 -1.29 0.18 116.25 119.58 1wh9 h VAL 64 Ca 0.11 -0.50 0.10 0.00 0.82 0.00 0.00 66.70 67.23 1wh9 h VAL 64 Cb 0.04 -0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 29.58 1wh9 h VAL 64 CO -0.08 0.26 0.28 1.56 0.02 0.00 0.00 177.57 179.60 1wh9 h GLN 65 N 1.32 0.47 0.44 1.57 4.20 -0.14 0.26 115.11 123.23 1wh9 h GLN 65 Ca 0.35 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.01 1wh9 h GLN 65 Cb -0.12 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.56 1wh9 h GLN 65 CO -0.07 0.31 -0.21 0.87 -0.67 0.00 0.00 178.83 179.06 1wh9 h LYS 66 N 0.48 -0.57 -0.70 1.46 6.56 -0.92 -0.64 116.57 122.23 1wh9 h LYS 66 Ca 0.33 0.04 0.14 0.00 -1.06 0.00 0.00 60.65 60.11 1wh9 h LYS 66 Cb 0.41 0.13 -0.10 0.00 -0.57 0.00 0.00 32.23 32.09 1wh9 h LYS 66 CO -0.30 -0.30 0.19 -0.09 -2.06 0.00 0.00 179.45 176.88 1wh9 h ARG 67 N -1.08 0.29 -0.02 3.15 1.12 -0.50 -0.53 114.38 116.81 1wh9 h ARG 67 Ca -0.06 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.79 1wh9 h ARG 67 Cb 0.53 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.42 1wh9 h ARG 67 CO 0.10 0.19 -0.13 1.19 -3.11 0.00 0.00 179.97 178.21 1wh9 n PHE 68 N -5.12 0.00 -3.37 2.20 3.01 0.04 -5.01 117.46 109.20 1wh9 n PHE 68 Ca 0.13 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.41 1wh9 n PHE 68 Cb 0.42 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.97 1wh9 n PHE 68 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wh9 n GLY 69 N 1.07 -0.33 3.79 1.37 0.00 -0.21 -5.00 105.19 105.88 1wh9 n GLY 69 Ca 0.09 0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.32 3.61 0.29 1.61 0.08 -0.42 -5.02 117.98 114.81 1wh9 s PHE 70 Ca 0.13 1.74 -0.29 0.00 0.12 0.00 0.00 56.93 58.63 1wh9 s PHE 70 Cb -0.06 -2.90 -0.10 0.00 -0.57 0.00 0.00 43.02 39.39 1wh9 s PHE 70 CO 0.68 0.14 1.39 -1.25 -0.10 0.00 0.00 175.22 176.08 1wh9 s PRO 71 N -2.30 4.29 0.43 0.24 0.04 -1.26 -4.86 135.00 131.56 1wh9 s PRO 71 Ca 0.53 2.29 -0.25 0.00 0.04 0.00 0.00 61.00 63.61 1wh9 s PRO 71 Cb -0.16 -3.08 -0.08 0.00 0.04 0.00 0.00 34.50 31.21 1wh9 s PRO 71 CO 0.21 -0.34 1.33 -2.00 0.04 0.00 0.00 177.00 176.25 1wh9 s GLU 72 N -1.12 3.85 0.00 4.56 2.12 -1.26 -2.79 118.70 124.05 1wh9 s GLU 72 Ca 0.54 2.21 0.00 0.00 0.36 0.00 0.00 54.97 58.08 1wh9 s GLU 72 Cb -0.41 -2.69 0.00 0.00 0.26 0.00 0.00 34.13 31.28 1wh9 s GLU 72 CO 0.49 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 175.01 1wh9 n GLY 73 N 0.64 1.23 0.19 -1.50 0.00 -1.26 -4.66 105.19 99.83 1wh9 n GLY 73 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.08 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 2.13 -4.50 1.61 7.64 -1.13 -4.86 113.62 114.52 1wh9 n SER 74 Ca 0.00 -1.86 -0.33 0.00 1.01 0.00 0.00 58.87 57.69 1wh9 n SER 74 Cb 0.00 -0.06 -0.13 0.00 -1.01 0.00 0.00 64.21 63.01 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 -0.88 3.15 0.08 0.44 0.11 -1.12 -0.89 120.40 121.29 1wh9 s VAL 75 Ca 0.07 -0.75 0.03 0.00 -2.93 0.00 0.00 61.98 58.40 1wh9 s VAL 75 Cb 0.04 -2.26 -0.03 0.00 -1.53 0.00 0.00 36.38 32.59 1wh9 s VAL 75 CO 0.05 0.55 -0.09 -1.61 -3.33 0.00 0.00 175.10 170.66 1wh9 s GLU 76 N -0.88 0.77 -0.05 1.54 0.41 -0.79 -4.97 118.70 114.74 1wh9 s GLU 76 Ca 0.12 -1.07 0.06 0.00 -0.41 0.00 0.00 54.97 53.68 1wh9 s GLU 76 Cb -0.11 -0.46 -0.01 0.00 -1.78 0.00 0.00 34.13 31.77 1wh9 s GLU 76 CO 0.02 0.07 -0.23 -0.51 -0.49 0.00 0.00 175.26 174.12 1wh9 s LEU 77 N -2.25 2.03 0.26 1.80 1.02 -1.26 -0.92 118.68 119.36 1wh9 s LEU 77 Ca 0.02 -0.46 0.07 0.00 0.02 0.00 0.00 54.13 53.78 1wh9 s LEU 77 Cb -0.04 -1.25 -0.05 0.00 0.02 0.00 0.00 46.19 44.86 1wh9 s LEU 77 CO -0.00 0.24 -0.09 -0.31 0.02 0.00 0.00 176.35 176.20 1wh9 s TYR 78 N -0.22 1.94 -0.22 0.29 2.02 0.55 -4.94 117.35 116.77 1wh9 s TYR 78 Ca -0.01 -0.63 -0.02 0.00 -0.37 0.00 0.00 57.07 56.05 1wh9 s TYR 78 Cb -0.12 -1.04 0.06 0.00 -0.40 0.00 0.00 41.96 40.47 1wh9 s TYR 78 CO 0.02 0.35 0.01 0.00 -1.57 0.00 0.00 175.55 174.37 1wh9 s ALA 79 N -2.94 1.34 0.07 3.71 0.00 -1.26 -2.45 121.76 120.22 1wh9 s ALA 79 Ca 0.28 -0.98 0.10 0.00 0.00 0.00 0.00 51.96 51.36 1wh9 s ALA 79 Cb 0.02 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 1wh9 s ALA 79 CO 0.11 -1.23 -0.26 -2.00 0.00 0.00 0.00 175.76 172.38 1wh9 s GLU 80 N 1.70 1.71 -0.11 0.00 2.56 -0.43 -4.95 118.70 119.17 1wh9 s GLU 80 Ca -0.01 -1.17 -0.06 0.00 0.00 0.00 0.00 54.97 53.73 1wh9 s GLU 80 Cb -0.18 -1.97 -0.04 0.00 2.00 0.00 0.00 34.13 33.95 1wh9 s GLU 80 CO -0.09 0.50 0.11 0.21 -0.56 0.00 0.00 175.26 175.42 1wh9 s LYS 81 N -1.45 3.32 0.65 4.30 2.20 -1.26 -2.30 119.74 125.20 1wh9 s LYS 81 Ca 0.12 -0.21 -0.11 0.00 -0.36 0.00 0.00 55.97 55.42 1wh9 s LYS 81 Cb -0.10 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 33.11 1wh9 s LYS 81 CO 0.03 0.76 1.04 0.08 -0.36 0.00 0.00 175.35 176.90 1wh9 s VAL 82 N -1.00 4.42 -0.30 4.02 1.01 -1.07 -4.93 120.40 122.54 1wh9 s VAL 82 Ca 0.15 0.79 -0.03 0.00 0.00 0.00 0.00 61.98 62.88 1wh9 s VAL 82 Cb -0.12 -3.68 0.11 0.00 0.00 0.00 0.00 36.38 32.69 1wh9 s VAL 82 CO 0.04 -1.03 0.14 0.00 0.00 0.00 0.00 175.10 174.26 1wh9 s ALA 83 N -3.13 0.66 0.00 5.51 0.00 -1.26 -4.99 121.76 118.55 1wh9 s ALA 83 Ca 0.56 -1.20 -0.12 0.00 0.00 0.00 0.00 51.96 51.20 1wh9 s ALA 83 Cb -0.12 -1.42 -0.07 0.00 0.00 0.00 0.00 23.12 21.51 1wh9 s ALA 83 CO 0.54 -1.72 0.87 1.15 0.00 0.00 0.00 175.76 176.60 1wh9 h THR 84 N 6.20 0.00 -2.99 0.00 2.02 -2.04 -3.46 112.91 112.63 1wh9 h THR 84 Ca -0.16 -0.14 -0.63 0.00 0.77 0.00 0.00 66.41 66.25 1wh9 h THR 84 Cb 1.00 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.27 1wh9 h THR 84 CO 0.41 0.00 -0.72 -0.60 0.37 0.00 0.00 175.52 174.98 1wh9 s ARG 85 N -3.41 2.05 0.00 6.66 3.00 -1.26 -5.09 118.95 120.90 1wh9 s ARG 85 Ca -0.06 -1.28 0.00 0.00 -1.00 0.00 0.00 55.73 53.39 1wh9 s ARG 85 Cb 0.01 -2.15 0.00 0.00 0.00 0.00 0.00 34.95 32.81 1wh9 s ARG 85 CO 0.19 0.43 0.00 0.41 0.00 0.00 0.00 175.30 176.33 1wh9 n GLY 86 N 0.03 2.02 2.71 8.12 0.00 -1.26 -5.12 105.19 111.69 1wh9 n GLY 86 Ca -0.11 0.10 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -8.04 -3.65 1.61 7.64 -1.26 -5.11 113.62 104.81 1wh9 n SER 87 Ca 0.00 1.44 -0.00 0.00 1.01 0.00 0.00 58.87 61.32 1wh9 n SER 87 Cb 0.00 -5.35 -0.00 0.00 -1.01 0.00 0.00 64.21 57.85 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 -1.63 -0.26 -1.48 0.23 0.00 -1.26 -5.08 107.32 97.84 1wh9 s GLY 88 Ca 0.00 0.32 -0.13 0.00 0.00 0.00 0.00 44.72 44.91 1wh9 s GLY 88 CO 0.79 1.04 2.38 -1.55 0.00 0.00 0.00 173.10 175.75 1wh9 n PRO 89 N -0.56 3.00 -1.73 2.90 -0.04 -1.26 -4.94 135.00 132.37 1wh9 n PRO 89 Ca -0.06 -2.50 -0.43 0.00 -0.04 0.00 0.00 63.50 60.48 1wh9 n PRO 89 Cb 0.61 -3.18 -0.03 0.00 -0.04 0.00 0.00 33.50 30.87 1wh9 n PRO 89 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wh9 s SER 90 N 3.02 6.06 -0.15 3.54 0.15 -1.26 -4.97 113.70 120.10 1wh9 s SER 90 Ca 0.52 2.20 -0.05 0.00 0.70 0.00 0.00 55.95 59.32 1wh9 s SER 90 Cb 0.15 -2.52 0.07 0.00 -1.71 0.00 0.00 66.02 62.01 1wh9 s SER 90 CO -0.08 -1.43 0.26 -0.44 1.20 0.00 0.00 173.24 172.75 1wh9 s SER 91 N 5.86 0.50 0.00 5.45 0.01 -1.26 -5.27 113.70 118.99 1wh9 s SER 91 Ca 0.90 0.45 0.00 0.00 1.31 0.00 0.00 55.95 58.61 1wh9 s SER 91 Cb -0.36 0.67 0.00 0.00 0.21 0.00 0.00 66.02 66.55 1wh9 s SER 91 CO 0.37 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.37