#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 -0.24 0.44 1.61 1.04 -1.26 -5.07 113.70 110.22 1wh9 s SER 2 Ca 0.00 -0.10 0.24 0.00 0.48 0.00 0.00 55.95 56.57 1wh9 s SER 2 Cb 0.00 0.33 0.90 0.00 0.10 0.00 0.00 66.02 67.35 1wh9 s SER 2 CO 0.00 -0.56 1.82 0.28 0.98 0.00 0.00 173.24 175.76 1wh9 h SER 3 N 2.00 0.00 -2.30 7.02 0.02 -2.03 -3.50 113.55 114.76 1wh9 h SER 3 Ca -0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1wh9 h SER 3 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1wh9 h SER 3 CO 0.28 0.22 0.00 0.61 -1.14 0.00 0.00 176.83 176.80 1wh9 n GLY 4 N 0.20 -0.76 1.56 -3.77 0.00 -1.26 -5.15 105.19 96.00 1wh9 n GLY 4 Ca 0.00 -2.16 -0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 0.00 -4.00 -3.24 1.61 7.64 -1.26 -4.90 113.62 109.46 1wh9 n SER 5 Ca 0.00 0.62 -0.23 0.00 1.01 0.00 0.00 58.87 60.27 1wh9 n SER 5 Cb 0.00 -2.49 0.02 0.00 -1.01 0.00 0.00 64.21 60.73 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 0.64 -6.57 -3.58 6.43 7.64 -1.26 -4.98 113.62 111.94 1wh9 n SER 6 Ca -0.03 0.06 -0.09 0.00 1.01 0.00 0.00 58.87 59.82 1wh9 n SER 6 Cb 0.05 -3.36 -0.05 0.00 -1.01 0.00 0.00 64.21 59.84 1wh9 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wh9 s GLY 7 N -2.13 -0.25 0.08 0.23 0.00 -1.26 -4.96 107.32 99.03 1wh9 s GLY 7 Ca 0.28 2.00 -0.23 0.00 0.00 0.00 0.00 44.72 46.77 1wh9 s GLY 7 CO 0.83 0.95 1.70 -2.75 0.00 0.00 0.00 173.10 173.83 1wh9 h PHE 8 N 2.43 0.04 0.00 1.90 3.57 -2.00 -2.54 116.94 120.35 1wh9 h PHE 8 Ca -0.17 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1wh9 h PHE 8 Cb 1.17 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1wh9 h PHE 8 CO 0.28 0.08 0.00 1.17 -2.23 0.00 0.00 178.31 177.60 1wh9 n LYS 9 N -5.04 0.07 0.01 1.11 4.81 -1.26 -0.88 118.16 116.98 1wh9 n LYS 9 Ca -0.07 0.48 -0.01 0.00 -0.87 0.00 0.00 58.31 57.84 1wh9 n LYS 9 Cb 0.05 -1.69 -0.01 0.00 0.02 0.00 0.00 35.03 33.40 1wh9 n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wh9 h ALA 10 N 2.14 -0.13 -0.72 3.14 0.00 -1.84 -3.26 119.26 118.59 1wh9 h ALA 10 Ca 0.00 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.04 1wh9 h ALA 10 Cb 0.11 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.83 1wh9 h ALA 10 CO 0.00 -0.12 0.21 0.93 0.00 0.00 0.00 179.25 180.27 1wh9 h GLU 11 N -0.57 0.32 -0.27 0.00 4.39 -1.10 -0.23 114.58 117.11 1wh9 h GLU 11 Ca -0.01 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.50 1wh9 h GLU 11 Cb 0.06 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1wh9 h GLU 11 CO 0.01 0.21 -0.50 1.25 -1.16 0.00 0.00 179.01 178.82 1wh9 h LEU 12 N 0.32 0.92 -0.14 1.33 5.85 -1.23 -1.10 115.31 121.26 1wh9 h LEU 12 Ca 0.40 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1wh9 h LEU 12 Cb 0.65 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1wh9 h LEU 12 CO -0.46 1.27 0.04 -1.13 -0.34 0.00 0.00 178.44 177.83 1wh9 h ASN 13 N 0.59 0.21 -0.27 1.25 -1.24 -1.31 -0.33 115.58 114.47 1wh9 h ASN 13 Ca 0.02 -0.20 0.03 0.00 0.71 0.00 0.00 56.30 56.86 1wh9 h ASN 13 Cb 1.11 -0.05 -0.03 0.00 0.73 0.00 0.00 38.32 40.07 1wh9 h ASN 13 CO 0.11 0.35 0.06 -0.33 -1.29 0.00 0.00 177.43 176.34 1wh9 h GLU 14 N 0.05 0.16 0.11 6.67 4.39 -1.11 0.20 114.58 125.05 1wh9 h GLU 14 Ca 0.05 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.76 1wh9 h GLU 14 Cb 0.22 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 1wh9 h GLU 14 CO -0.00 0.11 -0.37 0.35 -1.16 0.00 0.00 179.01 177.94 1wh9 h PHE 15 N 0.17 -1.03 -0.64 4.33 3.57 -0.94 -2.68 116.94 119.71 1wh9 h PHE 15 Ca 0.12 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1wh9 h PHE 15 Cb 0.12 0.44 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 1wh9 h PHE 15 CO -0.15 -0.47 0.29 -0.07 -2.23 0.00 0.00 178.31 175.67 1wh9 h LEU 16 N -0.60 0.84 -0.45 0.59 3.38 -0.93 -1.90 115.31 116.23 1wh9 h LEU 16 Ca 0.03 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 57.98 1wh9 h LEU 16 Cb 0.63 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 1wh9 h LEU 16 CO -0.22 0.72 0.07 0.74 0.09 0.00 0.00 178.44 179.84 1wh9 h THR 17 N 0.92 0.73 0.61 0.22 2.02 -0.62 -0.45 112.91 116.34 1wh9 h THR 17 Ca 0.22 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 1wh9 h THR 17 Cb 0.12 0.51 0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1wh9 h THR 17 CO -0.03 0.04 -0.29 0.03 0.37 0.00 0.00 175.52 175.64 1wh9 h ARG 18 N 0.20 -0.79 -0.15 6.66 -0.00 -1.33 -2.54 114.38 116.42 1wh9 h ARG 18 Ca 0.23 0.05 0.04 0.00 -0.50 0.00 0.00 59.98 59.80 1wh9 h ARG 18 Cb 0.30 0.18 -0.01 0.00 0.00 0.00 0.00 29.97 30.44 1wh9 h ARG 18 CO -0.31 -0.48 0.13 0.93 0.00 0.00 0.00 179.97 180.24 1wh9 h GLU 19 N -1.11 0.00 0.00 0.04 4.39 -0.97 -2.29 114.58 114.65 1wh9 h GLU 19 Ca -0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1wh9 h GLU 19 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1wh9 h GLU 19 CO 0.14 0.00 -0.00 1.28 -1.16 0.00 0.00 179.01 179.26 1wh9 n LEU 20 N -4.13 2.25 -0.26 1.33 4.77 -0.21 -4.84 117.00 115.91 1wh9 n LEU 20 Ca 0.01 -2.85 0.18 0.00 -0.03 0.00 0.00 56.01 53.31 1wh9 n LEU 20 Cb 0.26 -0.34 0.48 0.00 -2.33 0.00 0.00 43.42 41.48 1wh9 n LEU 20 CO 0.31 0.66 1.22 0.00 -1.33 0.00 0.00 177.39 178.25 1wh9 h ALA 21 N 0.00 2.11 0.00 -1.18 0.00 -0.95 -1.32 119.26 117.91 1wh9 h ALA 21 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wh9 h ALA 21 Cb 0.91 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1wh9 h ALA 21 CO 0.00 -0.41 -1.06 0.39 0.00 0.00 0.00 179.25 178.17 1wh9 n GLU 22 N -4.55 0.58 0.21 0.00 1.02 -1.26 -4.08 120.64 112.57 1wh9 n GLU 22 Ca 0.20 0.09 0.08 0.00 -0.02 0.00 0.00 57.16 57.51 1wh9 n GLU 22 Cb 0.67 -1.79 0.48 0.00 -0.02 0.00 0.00 31.44 30.77 1wh9 n GLU 22 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1wh9 h ASP 23 N 0.00 0.00 -0.92 1.62 5.19 -1.61 -3.47 116.42 117.23 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 0.98 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.49 1wh9 h ASP 23 CO 0.00 0.28 0.00 0.61 -3.12 0.00 0.00 179.24 177.01 1wh9 n GLY 24 N -0.22 0.50 3.42 2.75 0.00 -1.18 -4.00 105.19 106.46 1wh9 n GLY 24 Ca -0.01 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.46 -1.22 0.00 1.61 9.36 -1.20 -0.34 117.16 124.90 1wh9 n TYR 25 Ca 0.00 -0.03 0.00 0.00 3.32 0.00 0.00 57.90 61.19 1wh9 n TYR 25 Cb 0.22 -1.68 0.00 0.00 -0.63 0.00 0.00 39.34 37.26 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 -3.87 0.00 -0.59 2.98 7.64 -0.70 -4.73 113.62 114.35 1wh9 n SER 26 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1wh9 n SER 26 Cb 0.56 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 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 -0.64 0.66 3.23 0.23 0.00 -0.90 -4.83 105.19 102.94 1wh9 n GLY 27 Ca 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.07 0.11 -0.03 1.61 0.11 -1.26 -0.52 120.40 118.35 1wh9 s VAL 28 Ca 0.00 -0.89 0.06 0.00 -2.93 0.00 0.00 61.98 58.21 1wh9 s VAL 28 Cb 0.00 -1.11 -0.01 0.00 -1.53 0.00 0.00 36.38 33.72 1wh9 s VAL 28 CO 0.00 -0.49 -0.19 -1.61 -3.33 0.00 0.00 175.10 169.47 1wh9 s GLU 29 N -3.21 1.69 -0.14 1.54 2.02 0.17 -4.89 118.70 115.87 1wh9 s GLU 29 Ca -0.00 -0.69 -0.01 0.00 0.02 0.00 0.00 54.97 54.29 1wh9 s GLU 29 Cb 0.02 -1.57 0.04 0.00 0.10 0.00 0.00 34.13 32.71 1wh9 s GLU 29 CO -0.07 0.37 -0.04 0.54 0.02 0.00 0.00 175.26 176.07 1wh9 s VAL 30 N -0.31 0.93 -0.19 2.63 0.11 -1.26 -0.98 120.40 121.33 1wh9 s VAL 30 Ca 0.04 -0.44 -0.02 0.00 -2.93 0.00 0.00 61.98 58.63 1wh9 s VAL 30 Cb -0.09 -1.10 -0.00 0.00 -1.53 0.00 0.00 36.38 33.66 1wh9 s VAL 30 CO 0.00 0.17 -0.09 -0.13 -3.33 0.00 0.00 175.10 171.72 1wh9 s ARG 31 N 1.72 3.30 -0.33 1.54 0.52 -1.22 -5.05 118.95 119.43 1wh9 s ARG 31 Ca 0.02 -0.68 -0.08 0.00 -0.52 0.00 0.00 55.73 54.48 1wh9 s ARG 31 Cb -0.14 -2.85 0.02 0.00 0.52 0.00 0.00 34.95 32.50 1wh9 s ARG 31 CO -0.07 -0.12 0.12 0.08 0.02 0.00 0.00 175.30 175.33 1wh9 s VAL 32 N 1.21 4.07 0.37 3.52 1.01 -1.26 -2.38 120.40 126.93 1wh9 s VAL 32 Ca 0.02 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.20 1wh9 s VAL 32 Cb -0.14 -3.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.95 1wh9 s VAL 32 CO -0.03 -0.09 -0.05 0.42 0.00 0.00 0.00 175.10 175.34 1wh9 s THR 33 N 1.48 2.10 -0.71 3.92 -4.23 -1.22 -5.01 115.64 111.96 1wh9 s THR 33 Ca 0.01 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 1wh9 s THR 33 Cb -0.19 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1wh9 s THR 33 CO 0.04 -0.12 0.59 -0.81 -0.54 0.00 0.00 174.62 173.78 1wh9 n PRO 34 N -0.85 0.92 0.03 3.99 -0.04 -1.26 -4.19 135.00 133.60 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 0.65 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 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 0.19 0.23 -3.83 0.52 -2.24 -1.26 -5.12 114.28 102.77 1wh9 n THR 35 Ca 0.00 0.08 -0.06 0.00 -2.27 0.00 0.00 64.05 61.80 1wh9 n THR 35 Cb 0.30 -1.14 -0.01 0.00 -2.10 0.00 0.00 70.33 67.38 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 1.68 0.07 -0.78 1.70 -1.26 -4.98 118.95 113.38 1wh9 s ARG 36 Ca 0.00 -0.96 -0.21 0.00 -0.47 0.00 0.00 55.73 54.08 1wh9 s ARG 36 Cb 0.00 0.55 -0.06 0.00 -0.57 0.00 0.00 34.95 34.86 1wh9 s ARG 36 CO 0.00 -0.77 0.64 0.99 -1.08 0.00 0.00 175.30 175.08 1wh9 s THR 37 N -3.44 4.71 0.12 4.99 2.01 -0.73 -3.42 115.64 119.88 1wh9 s THR 37 Ca 0.13 1.37 0.06 0.00 0.31 0.00 0.00 61.69 63.56 1wh9 s THR 37 Cb -0.05 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1wh9 s THR 37 CO 0.06 0.49 -0.03 -1.61 -0.69 0.00 0.00 174.62 172.84 1wh9 s GLU 38 N -0.76 2.37 -0.04 4.92 2.02 -1.00 -1.47 118.70 124.74 1wh9 s GLU 38 Ca 0.32 -0.99 -0.01 0.00 0.02 0.00 0.00 54.97 54.31 1wh9 s GLU 38 Cb -0.20 -2.40 0.03 0.00 0.10 0.00 0.00 34.13 31.65 1wh9 s GLU 38 CO 0.20 0.50 0.04 0.42 0.02 0.00 0.00 175.26 176.44 1wh9 s ILE 39 N -1.43 0.04 -0.26 -1.63 1.01 -0.40 -3.44 121.20 115.09 1wh9 s ILE 39 Ca 0.25 0.30 0.02 0.00 0.00 0.00 0.00 60.65 61.21 1wh9 s ILE 39 Cb -0.11 -0.24 0.07 0.00 0.01 0.00 0.00 42.46 42.19 1wh9 s ILE 39 CO 0.17 0.18 -0.05 -0.63 0.00 0.00 0.00 174.94 174.61 1wh9 s ILE 40 N 1.86 1.78 -0.05 2.92 1.01 -0.15 0.01 121.20 128.59 1wh9 s ILE 40 Ca 0.02 -1.50 -0.30 0.00 0.00 0.00 0.00 60.65 58.87 1wh9 s ILE 40 Cb -0.12 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 1wh9 s ILE 40 CO -0.03 -0.17 1.42 -0.63 0.00 0.00 0.00 174.94 175.52 1wh9 s ILE 41 N 1.25 3.82 -0.44 2.92 1.01 -0.48 -0.66 121.20 128.63 1wh9 s ILE 41 Ca -0.04 1.12 -0.23 0.00 0.00 0.00 0.00 60.65 61.50 1wh9 s ILE 41 Cb -0.19 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.58 1wh9 s ILE 41 CO -0.07 -0.04 0.81 -0.76 0.00 0.00 0.00 174.94 174.87 1wh9 s LEU 42 N 2.99 4.20 0.19 2.97 1.43 0.32 -0.63 118.68 130.16 1wh9 s LEU 42 Ca 0.64 -0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.66 1wh9 s LEU 42 Cb -0.29 -3.00 -0.02 0.00 0.03 0.00 0.00 46.19 42.90 1wh9 s LEU 42 CO 0.24 -0.92 0.24 0.00 0.23 0.00 0.00 176.35 176.15 1wh9 s ALA 43 N 3.34 0.51 -0.03 4.21 0.00 -0.92 -1.71 121.76 127.15 1wh9 s ALA 43 Ca 0.31 -1.27 0.14 0.00 0.00 0.00 0.00 51.96 51.14 1wh9 s ALA 43 Cb -0.12 1.10 0.12 0.00 0.00 0.00 0.00 23.12 24.23 1wh9 s ALA 43 CO 0.23 -0.65 1.47 1.79 0.00 0.00 0.00 175.76 178.59 1wh9 h THR 44 N 2.56 1.06 -2.12 0.00 1.35 -0.93 -1.50 112.91 113.33 1wh9 h THR 44 Ca -0.32 -2.35 -0.57 0.00 -0.55 0.00 0.00 66.41 62.62 1wh9 h THR 44 Cb 1.24 2.42 -0.41 0.00 -1.73 0.00 0.00 68.15 69.67 1wh9 h THR 44 CO 0.49 0.58 -0.84 0.54 -0.25 0.00 0.00 175.52 176.03 1wh9 n ARG 45 N -3.32 1.88 -0.27 4.72 1.74 -1.26 -4.75 116.66 115.40 1wh9 n ARG 45 Ca 0.01 -4.08 0.09 0.00 -0.77 0.00 0.00 57.85 53.09 1wh9 n ARG 45 Cb 0.74 -1.86 0.22 0.00 -1.02 0.00 0.00 32.46 30.54 1wh9 n ARG 45 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1wh9 h THR 46 N 2.49 0.42 0.00 0.55 1.35 -1.85 -1.38 112.91 114.49 1wh9 h THR 46 Ca 0.13 -0.08 -0.10 0.00 -0.55 0.00 0.00 66.41 65.81 1wh9 h THR 46 Cb 0.74 0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.31 1wh9 h THR 46 CO 0.67 0.04 -0.46 -0.61 -0.25 0.00 0.00 175.52 174.91 1wh9 h GLN 47 N 0.24 0.00 -0.16 4.72 4.15 -1.96 -0.80 115.11 121.30 1wh9 h GLN 47 Ca 0.47 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.73 1wh9 h GLN 47 Cb 0.87 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.57 1wh9 h GLN 47 CO -0.58 0.46 -0.53 -0.91 -1.93 0.00 0.00 178.83 175.34 1wh9 h ASN 48 N 0.00 0.75 -0.38 -0.69 2.35 -1.62 -1.78 115.58 114.22 1wh9 h ASN 48 Ca -0.00 -0.60 0.04 0.00 -0.55 0.00 0.00 56.30 55.19 1wh9 h ASN 48 Cb 0.90 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 39.01 1wh9 h ASN 48 CO 0.06 1.22 0.14 0.58 -1.65 0.00 0.00 177.43 177.78 1wh9 h VAL 49 N 0.32 0.89 -0.77 2.81 2.07 -1.12 -1.63 116.25 118.82 1wh9 h VAL 49 Ca -0.02 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1wh9 h VAL 49 Cb 1.16 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1wh9 h VAL 49 CO 0.11 0.05 0.40 -0.07 0.02 0.00 0.00 177.57 178.08 1wh9 h LEU 50 N 0.29 0.98 -0.11 2.57 3.38 -1.16 -3.31 115.31 117.95 1wh9 h LEU 50 Ca 0.17 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.16 1wh9 h LEU 50 Cb 0.15 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1wh9 h LEU 50 CO -0.17 0.81 -0.23 0.61 0.09 0.00 0.00 178.44 179.55 1wh9 n GLY 51 N -1.12 -1.88 3.64 0.83 0.00 -0.62 -1.06 105.19 104.98 1wh9 n GLY 51 Ca 0.08 -1.40 -0.48 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.63 2.04 -4.17 1.61 2.13 -1.26 -1.14 120.64 117.23 1wh9 n GLU 52 Ca -0.01 0.71 -0.35 0.00 0.66 0.00 0.00 57.16 58.18 1wh9 n GLU 52 Cb 0.20 -2.73 -0.02 0.00 0.27 0.00 0.00 31.44 29.17 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 7.25 -3.45 -1.04 5.31 5.02 -1.26 -1.27 118.16 128.72 1wh9 n LYS 53 Ca 0.26 0.40 -0.01 0.00 -2.02 0.00 0.00 58.31 56.94 1wh9 n LYS 53 Cb 0.31 -5.09 -0.01 0.00 -0.02 0.00 0.00 35.03 30.23 1wh9 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wh9 n GLY 54 N -1.49 0.50 0.46 0.72 0.00 -0.29 -4.96 105.19 100.13 1wh9 n GLY 54 Ca 0.03 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 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 0.53 -0.56 -0.56 1.61 3.08 -0.73 -0.83 114.38 116.92 1wh9 h ARG 55 Ca -0.02 0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1wh9 h ARG 55 Cb 0.18 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1wh9 h ARG 55 CO 0.04 -0.37 0.24 0.00 -1.07 0.00 0.00 179.97 178.80 1wh9 h ARG 56 N -0.58 0.82 -0.85 0.04 -0.00 -1.33 0.09 114.38 112.58 1wh9 h ARG 56 Ca 0.03 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.98 59.36 1wh9 h ARG 56 Cb 0.67 -0.14 -0.04 0.00 0.00 0.00 0.00 29.97 30.47 1wh9 h ARG 56 CO -0.43 0.70 0.50 0.97 0.00 0.00 0.00 179.97 181.71 1wh9 h ILE 57 N 0.76 1.24 -0.18 2.04 2.10 -1.16 0.13 117.51 122.43 1wh9 h ILE 57 Ca 0.19 -0.55 -0.01 0.00 1.08 0.00 0.00 64.86 65.57 1wh9 h ILE 57 Cb 0.17 0.06 -0.01 0.00 -1.09 0.00 0.00 36.82 35.95 1wh9 h ILE 57 CO -0.02 0.26 0.07 -0.09 -1.08 0.00 0.00 178.15 177.29 1wh9 h ARG 58 N 1.18 0.27 0.55 2.19 2.43 -0.51 0.46 114.38 120.95 1wh9 h ARG 58 Ca 0.30 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1wh9 h ARG 58 Cb -0.02 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1wh9 h ARG 58 CO -0.05 0.36 -0.46 1.49 -1.51 0.00 0.00 179.97 179.80 1wh9 h GLU 59 N 0.13 -0.95 0.00 0.20 4.22 -0.62 -2.79 114.58 114.76 1wh9 h GLU 59 Ca 0.06 0.06 -0.04 0.00 0.08 0.00 0.00 59.36 59.53 1wh9 h GLU 59 Cb 0.19 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1wh9 h GLU 59 CO -0.00 -0.63 -0.18 -0.07 -2.18 0.00 0.00 179.01 175.94 1wh9 h LEU 60 N -0.99 0.00 -0.31 1.64 3.38 -0.73 0.13 115.31 118.44 1wh9 h LEU 60 Ca -0.06 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1wh9 h LEU 60 Cb 0.84 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1wh9 h LEU 60 CO -0.01 0.18 0.14 0.74 0.09 0.00 0.00 178.44 179.58 1wh9 h THR 61 N 0.00 0.97 -0.59 0.22 2.02 -0.77 0.15 112.91 114.91 1wh9 h THR 61 Ca -0.00 -0.10 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 1wh9 h THR 61 Cb 0.43 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1wh9 h THR 61 CO 0.02 0.06 0.14 0.00 0.37 0.00 0.00 175.52 176.11 1wh9 h ALA 62 N 1.17 1.13 0.81 6.16 0.00 -0.53 0.19 119.26 128.19 1wh9 h ALA 62 Ca 0.13 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1wh9 h ALA 62 Cb 0.06 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.62 1wh9 h ALA 62 CO -0.10 0.58 -0.39 0.28 0.00 0.00 0.00 179.25 179.62 1wh9 h VAL 63 N 0.88 0.13 -0.66 0.00 2.07 -0.90 -2.97 116.25 114.80 1wh9 h VAL 63 Ca 0.19 -0.11 0.12 0.00 0.82 0.00 0.00 66.70 67.71 1wh9 h VAL 63 Cb 0.32 0.15 -0.09 0.00 -1.52 0.00 0.00 31.29 30.15 1wh9 h VAL 63 CO -0.00 0.01 0.21 0.58 0.02 0.00 0.00 177.57 178.39 1wh9 h VAL 64 N -1.19 0.67 -0.41 2.57 2.07 -0.63 -0.47 116.25 118.87 1wh9 h VAL 64 Ca -0.11 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.37 1wh9 h VAL 64 Cb 0.85 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 1wh9 h VAL 64 CO 0.18 0.06 -0.04 1.56 0.02 0.00 0.00 177.57 179.36 1wh9 h GLN 65 N 0.36 0.06 -0.02 1.57 4.20 -0.59 0.66 115.11 121.34 1wh9 h GLN 65 Ca 0.35 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.03 1wh9 h GLN 65 Cb 0.50 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1wh9 h GLN 65 CO -0.38 0.04 -0.08 0.87 -0.67 0.00 0.00 178.83 178.60 1wh9 h LYS 66 N 0.06 0.09 -0.94 1.46 6.56 -1.28 0.42 116.57 122.94 1wh9 h LYS 66 Ca 0.20 -0.07 0.14 0.00 -1.06 0.00 0.00 60.65 59.86 1wh9 h LYS 66 Cb 0.30 0.01 -0.09 0.00 -0.57 0.00 0.00 32.23 31.89 1wh9 h LYS 66 CO -0.38 0.72 0.56 -0.09 -2.06 0.00 0.00 179.45 178.20 1wh9 h ARG 67 N -0.51 0.81 -0.37 3.15 1.12 -0.54 -1.63 114.38 116.41 1wh9 h ARG 67 Ca -0.00 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 1wh9 h ARG 67 Cb 0.73 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 30.51 1wh9 h ARG 67 CO 0.02 0.54 0.00 1.19 -3.11 0.00 0.00 179.97 178.60 1wh9 n PHE 68 N -4.72 0.49 -2.84 2.20 3.72 0.17 -4.99 117.46 111.48 1wh9 n PHE 68 Ca 0.19 -0.41 -0.21 0.00 -0.05 0.00 0.00 57.45 56.97 1wh9 n PHE 68 Cb 0.41 -0.02 0.01 0.00 -0.94 0.00 0.00 39.48 38.94 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 0.80 -0.51 3.79 1.37 0.00 -0.35 -4.94 105.19 105.34 1wh9 n GLY 69 Ca 0.14 0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.02 2.83 -0.09 1.61 0.08 -0.01 -4.99 117.98 114.39 1wh9 s PHE 70 Ca 0.20 1.55 -0.30 0.00 0.12 0.00 0.00 56.93 58.51 1wh9 s PHE 70 Cb -0.09 -3.15 -0.04 0.00 -0.57 0.00 0.00 43.02 39.16 1wh9 s PHE 70 CO 0.25 -1.25 1.56 -1.25 -0.10 0.00 0.00 175.22 174.43 1wh9 s PRO 71 N -3.50 4.17 0.30 0.24 0.05 -1.26 -4.88 135.00 130.13 1wh9 s PRO 71 Ca 0.69 2.04 -0.29 0.00 0.05 0.00 0.00 61.00 63.48 1wh9 s PRO 71 Cb -0.19 -3.94 -0.12 0.00 0.05 0.00 0.00 34.50 30.29 1wh9 s PRO 71 CO 0.28 -0.84 1.44 -0.85 0.05 0.00 0.00 177.00 177.07 1wh9 n GLU 72 N 7.05 2.34 0.00 4.56 0.28 -1.26 -1.46 120.64 132.14 1wh9 n GLU 72 Ca 0.17 0.83 0.00 0.00 -0.16 0.00 0.00 57.16 57.99 1wh9 n GLU 72 Cb 0.43 -2.51 0.00 0.00 1.43 0.00 0.00 31.44 30.80 1wh9 n GLU 72 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1wh9 n GLY 73 N 1.50 2.55 0.28 -1.84 0.00 -1.26 -4.82 105.19 101.59 1wh9 n GLY 73 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.12 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 0.74 -4.32 1.61 7.64 -0.54 -4.92 113.62 113.83 1wh9 n SER 74 Ca 0.00 -2.12 -0.31 0.00 1.01 0.00 0.00 58.87 57.45 1wh9 n SER 74 Cb 0.00 -0.21 -0.16 0.00 -1.01 0.00 0.00 64.21 62.83 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 -0.79 2.13 0.04 0.44 0.11 -1.00 -1.77 120.40 119.56 1wh9 s VAL 75 Ca 0.08 -1.08 0.05 0.00 -2.93 0.00 0.00 61.98 58.11 1wh9 s VAL 75 Cb 0.07 -1.74 -0.02 0.00 -1.53 0.00 0.00 36.38 33.15 1wh9 s VAL 75 CO 0.01 0.58 -0.16 -0.70 -3.33 0.00 0.00 175.10 171.50 1wh9 s GLU 76 N -0.58 1.07 -0.03 1.54 2.56 -0.54 -4.97 118.70 117.75 1wh9 s GLU 76 Ca 0.09 -0.79 0.04 0.00 0.00 0.00 0.00 54.97 54.31 1wh9 s GLU 76 Cb -0.10 -1.11 -0.03 0.00 2.00 0.00 0.00 34.13 34.89 1wh9 s GLU 76 CO -0.00 0.28 -0.15 -0.51 -0.56 0.00 0.00 175.26 174.31 1wh9 s LEU 77 N -1.09 2.70 0.26 2.70 1.02 -1.26 -1.28 118.68 121.72 1wh9 s LEU 77 Ca 0.03 -0.24 0.03 0.00 0.02 0.00 0.00 54.13 53.97 1wh9 s LEU 77 Cb -0.08 -1.55 -0.05 0.00 0.02 0.00 0.00 46.19 44.53 1wh9 s LEU 77 CO 0.01 0.33 0.04 -0.31 0.02 0.00 0.00 176.35 176.44 1wh9 s TYR 78 N -0.77 1.62 -0.07 0.29 2.02 0.10 -4.94 117.35 115.61 1wh9 s TYR 78 Ca 0.12 -1.01 -0.02 0.00 -0.37 0.00 0.00 57.07 55.80 1wh9 s TYR 78 Cb -0.11 -0.97 0.03 0.00 -0.40 0.00 0.00 41.96 40.51 1wh9 s TYR 78 CO 0.01 -0.12 0.03 0.00 -1.57 0.00 0.00 175.55 173.90 1wh9 s ALA 79 N -3.50 0.52 0.42 3.71 0.00 -1.26 -1.38 121.76 120.27 1wh9 s ALA 79 Ca 0.33 -0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.32 1wh9 s ALA 79 Cb 0.07 -0.72 -0.06 0.00 0.00 0.00 0.00 23.12 22.41 1wh9 s ALA 79 CO 0.11 -0.51 0.02 -2.00 0.00 0.00 0.00 175.76 173.38 1wh9 s GLU 80 N 2.05 1.96 -0.11 0.00 2.12 0.20 -4.93 118.70 119.98 1wh9 s GLU 80 Ca 0.05 -2.14 0.01 0.00 0.36 0.00 0.00 54.97 53.25 1wh9 s GLU 80 Cb -0.12 -1.48 -0.01 0.00 0.26 0.00 0.00 34.13 32.78 1wh9 s GLU 80 CO -0.05 -0.14 -0.15 0.21 -0.54 0.00 0.00 175.26 174.59 1wh9 s LYS 81 N -3.77 3.18 0.42 4.30 2.20 -1.26 -2.16 119.74 122.66 1wh9 s LYS 81 Ca 0.30 -0.73 -0.22 0.00 -0.36 0.00 0.00 55.97 54.96 1wh9 s LYS 81 Cb 0.08 -2.53 -0.10 0.00 -1.51 0.00 0.00 37.83 33.78 1wh9 s LYS 81 CO 0.15 0.27 1.00 0.08 -0.36 0.00 0.00 175.35 176.49 1wh9 s VAL 82 N 0.18 4.01 -0.06 4.02 1.01 -0.56 -4.59 120.40 124.41 1wh9 s VAL 82 Ca -0.09 1.38 -0.04 0.00 0.00 0.00 0.00 61.98 63.24 1wh9 s VAL 82 Cb -0.15 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1wh9 s VAL 82 CO 0.05 -0.14 0.07 0.00 0.00 0.00 0.00 175.10 175.09 1wh9 n ALA 83 N -0.40 -3.22 -1.85 5.51 0.00 -1.26 -4.88 120.51 114.41 1wh9 n ALA 83 Ca 0.06 0.72 -0.42 0.00 0.00 0.00 0.00 53.44 53.80 1wh9 n ALA 83 Cb 0.52 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 1wh9 n ALA 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wh9 s THR 84 N -0.20 3.26 0.00 0.00 2.01 -1.26 -4.77 115.64 114.67 1wh9 s THR 84 Ca -0.09 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.30 1wh9 s THR 84 Cb 0.01 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.27 1wh9 s THR 84 CO 0.24 -0.03 0.00 0.54 -0.69 0.00 0.00 174.62 174.68 1wh9 n ARG 85 N 7.07 1.04 0.00 4.92 5.12 -1.26 -5.16 116.66 128.39 1wh9 n ARG 85 Ca 0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 1wh9 n ARG 85 Cb 0.42 -0.13 0.00 0.00 -1.16 0.00 0.00 32.46 31.59 1wh9 n ARG 85 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wh9 n GLY 86 N -0.08 0.99 2.55 -0.13 0.00 -1.26 -4.93 105.19 102.33 1wh9 n GLY 86 Ca 0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.40 -0.91 -4.52 1.61 7.64 -1.26 -5.19 113.62 107.60 1wh9 n SER 87 Ca 0.00 -2.52 -0.25 0.00 1.01 0.00 0.00 58.87 57.11 1wh9 n SER 87 Cb 0.00 1.77 -0.10 0.00 -1.01 0.00 0.00 64.21 64.86 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 -2.70 2.37 0.60 0.23 0.00 -1.26 -5.16 107.32 101.40 1wh9 s GLY 88 Ca 0.25 -1.94 -0.12 0.00 0.00 0.00 0.00 44.72 42.91 1wh9 s GLY 88 CO 0.18 -1.96 1.01 2.56 0.00 0.00 0.00 173.10 174.89 1wh9 s PRO 89 N -3.81 3.65 0.00 2.90 0.04 -1.26 -4.97 135.00 131.55 1wh9 s PRO 89 Ca 0.32 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1wh9 s PRO 89 Cb 0.08 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1wh9 s PRO 89 CO 0.15 -0.51 0.00 -1.13 0.04 0.00 0.00 177.00 175.56 1wh9 n SER 90 N -2.55 0.00 -3.23 6.66 3.41 -1.26 -5.06 113.62 111.60 1wh9 n SER 90 Ca 0.06 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.65 1wh9 n SER 90 Cb 0.54 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 1wh9 n SER 90 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wh9 s SER 91 N -0.10 -0.84 0.00 4.04 0.15 -1.26 -5.39 113.70 110.30 1wh9 s SER 91 Ca 0.00 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1wh9 s SER 91 Cb 0.00 1.64 0.00 0.00 -1.71 0.00 0.00 66.02 65.95 1wh9 s SER 91 CO 0.00 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.78