#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 3.27 -4.76 1.61 3.41 -1.26 -4.94 113.62 110.95 1wh9 n SER 2 Ca 0.00 1.17 -0.39 0.00 -0.26 0.00 0.00 58.87 59.39 1wh9 n SER 2 Cb 0.00 -1.52 0.03 0.00 -0.26 0.00 0.00 64.21 62.46 1wh9 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wh9 s SER 3 N 0.20 5.53 0.15 4.04 0.15 -1.26 -4.98 113.70 117.53 1wh9 s SER 3 Ca 0.62 2.84 -0.02 0.00 0.70 0.00 0.00 55.95 60.09 1wh9 s SER 3 Cb -0.56 -2.64 -0.05 0.00 -1.71 0.00 0.00 66.02 61.06 1wh9 s SER 3 CO 0.53 -1.40 0.34 -0.83 1.20 0.00 0.00 173.24 173.09 1wh9 s GLY 4 N -0.75 2.07 -0.41 9.45 0.00 -1.26 -5.04 107.32 111.38 1wh9 s GLY 4 Ca 0.67 -0.72 -0.28 0.00 0.00 0.00 0.00 44.72 44.39 1wh9 s GLY 4 CO 0.52 -0.66 1.82 -0.56 0.00 0.00 0.00 173.10 174.21 1wh9 s SER 5 N -2.71 5.70 0.86 1.64 0.01 -1.26 -5.01 113.70 112.92 1wh9 s SER 5 Ca 0.39 1.02 -0.11 0.00 1.31 0.00 0.00 55.95 58.56 1wh9 s SER 5 Cb -0.12 -2.53 0.11 0.00 0.21 0.00 0.00 66.02 63.69 1wh9 s SER 5 CO 0.27 -1.91 1.09 -0.44 0.41 0.00 0.00 173.24 172.66 1wh9 s SER 6 N 6.73 3.75 0.00 2.44 0.01 -1.26 -3.96 113.70 121.42 1wh9 s SER 6 Ca 0.76 1.63 0.00 0.00 1.31 0.00 0.00 55.95 59.66 1wh9 s SER 6 Cb -0.19 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1wh9 s SER 6 CO 0.30 -2.49 0.00 0.61 0.41 0.00 0.00 173.24 172.07 1wh9 n GLY 7 N -1.06 0.21 0.24 3.44 0.00 -1.26 -4.16 105.19 102.61 1wh9 n GLY 7 Ca 0.08 0.71 0.02 0.00 0.00 0.00 0.00 46.02 46.83 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 0.15 -0.11 1.61 7.35 -1.26 -1.57 117.46 123.63 1wh9 n PHE 8 Ca 0.00 0.80 0.04 0.00 -0.76 0.00 0.00 57.45 57.53 1wh9 n PHE 8 Cb 0.00 -0.83 0.36 0.00 0.35 0.00 0.00 39.48 39.36 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 0.00 -4.13 1.63 -1.72 0.65 116.57 113.71 1wh9 h LYS 9 Ca 0.28 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.03 1wh9 h LYS 9 Cb 0.44 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1wh9 h LYS 9 CO -0.66 0.47 -0.03 0.00 -3.45 0.00 0.00 179.45 175.78 1wh9 h ALA 10 N 1.64 0.00 -0.53 5.00 0.00 -1.59 -2.42 119.26 121.37 1wh9 h ALA 10 Ca 0.23 -0.44 0.10 0.00 0.00 0.00 0.00 54.91 54.80 1wh9 h ALA 10 Cb 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 1wh9 h ALA 10 CO -0.06 -0.05 0.06 0.93 0.00 0.00 0.00 179.25 180.13 1wh9 h GLU 11 N -0.85 0.18 -0.63 0.00 4.39 -1.44 0.68 114.58 116.91 1wh9 h GLU 11 Ca -0.00 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 1wh9 h GLU 11 Cb 0.89 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.48 1wh9 h GLU 11 CO 0.00 0.12 0.15 1.25 -1.16 0.00 0.00 179.01 179.38 1wh9 h LEU 12 N 0.19 0.95 0.68 1.33 5.85 -0.96 0.62 115.31 123.97 1wh9 h LEU 12 Ca 0.27 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1wh9 h LEU 12 Cb 0.39 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1wh9 h LEU 12 CO -0.39 0.94 -0.37 0.78 -0.34 0.00 0.00 178.44 179.06 1wh9 h ASN 13 N 0.92 -0.92 -0.09 1.25 2.35 -0.83 -0.84 115.58 117.43 1wh9 h ASN 13 Ca 0.20 0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.90 1wh9 h ASN 13 Cb 0.36 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 1wh9 h ASN 13 CO 0.00 -0.60 -0.23 1.05 -1.65 0.00 0.00 177.43 176.00 1wh9 h GLU 14 N -0.98 0.51 0.28 0.81 4.11 -0.75 0.12 114.58 118.68 1wh9 h GLU 14 Ca -0.09 -0.18 -0.01 0.00 0.07 0.00 0.00 59.36 59.15 1wh9 h GLU 14 Cb 0.77 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1wh9 h GLU 14 CO 0.12 0.70 -0.30 0.35 0.07 0.00 0.00 179.01 179.95 1wh9 h PHE 15 N 0.45 -0.82 -0.83 2.06 3.57 -0.87 -3.16 116.94 117.34 1wh9 h PHE 15 Ca 0.07 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1wh9 h PHE 15 Cb 0.64 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 1wh9 h PHE 15 CO 0.02 -0.39 0.55 -0.07 -2.23 0.00 0.00 178.31 176.20 1wh9 h LEU 16 N -0.58 0.93 -1.27 0.59 3.38 -0.88 -1.36 115.31 116.13 1wh9 h LEU 16 Ca -0.03 -0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.15 1wh9 h LEU 16 Cb 0.50 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 40.93 1wh9 h LEU 16 CO -0.05 0.66 0.64 0.74 0.09 0.00 0.00 178.44 180.53 1wh9 h THR 17 N 1.10 0.59 0.00 0.22 2.02 -0.78 -0.59 112.91 115.46 1wh9 h THR 17 Ca 0.31 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.32 1wh9 h THR 17 Cb -0.07 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.38 1wh9 h THR 17 CO -0.08 0.09 -0.90 0.54 0.37 0.00 0.00 175.52 175.55 1wh9 n ARG 18 N -4.67 0.40 0.06 6.66 3.00 -0.54 -3.51 116.66 118.07 1wh9 n ARG 18 Ca 0.24 0.07 0.12 0.00 -0.01 0.00 0.00 57.85 58.26 1wh9 n ARG 18 Cb 0.77 -1.70 0.07 0.00 0.00 0.00 0.00 32.46 31.60 1wh9 n ARG 18 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1wh9 n GLU 19 N -2.26 0.39 -2.26 5.56 -0.58 -0.36 -4.50 120.64 116.63 1wh9 n GLU 19 Ca 0.02 0.07 -0.01 0.00 -0.42 0.00 0.00 57.16 56.81 1wh9 n GLU 19 Cb 0.48 -1.70 0.05 0.00 -0.57 0.00 0.00 31.44 29.70 1wh9 n GLU 19 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1wh9 n LEU 20 N -2.25 1.80 0.30 -4.62 4.77 -0.42 -4.98 117.00 111.61 1wh9 n LEU 20 Ca 0.02 -2.95 -0.17 0.00 -0.03 0.00 0.00 56.01 52.88 1wh9 n LEU 20 Cb 0.47 0.21 -0.09 0.00 -2.33 0.00 0.00 43.42 41.69 1wh9 n LEU 20 CO 0.39 1.01 0.52 0.00 -1.33 0.00 0.00 177.39 177.98 1wh9 h ALA 21 N 2.02 -1.15 0.00 -1.18 0.00 -1.78 -3.03 119.26 114.13 1wh9 h ALA 21 Ca -0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1wh9 h ALA 21 Cb 1.46 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.90 1wh9 h ALA 21 CO 0.21 -1.16 0.00 0.93 0.00 0.00 0.00 179.25 179.23 1wh9 h GLU 22 N -0.95 0.00 0.00 0.00 5.08 -1.93 -3.23 114.58 113.55 1wh9 h GLU 22 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1wh9 h GLU 22 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1wh9 h GLU 22 CO -0.01 0.00 0.00 -0.44 -1.00 0.00 0.00 179.01 177.56 1wh9 h ASP 23 N 0.00 0.00 -0.25 1.42 5.19 -1.92 -3.46 116.42 117.41 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 0.62 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.13 1wh9 h ASP 23 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 1wh9 n GLY 24 N -0.50 0.64 3.61 2.75 0.00 -1.22 -3.26 105.19 107.22 1wh9 n GLY 24 Ca 0.01 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 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 -3.32 1.09 0.00 1.61 9.36 -1.21 -1.40 117.16 123.30 1wh9 n TYR 25 Ca 0.00 0.54 0.00 0.00 3.32 0.00 0.00 57.90 61.76 1wh9 n TYR 25 Cb 0.45 -2.21 0.00 0.00 -0.63 0.00 0.00 39.34 36.95 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 0.37 0.60 -0.29 2.98 7.64 -0.49 -4.89 113.62 119.52 1wh9 n SER 26 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1wh9 n SER 26 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 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 2.58 0.62 3.30 0.23 0.00 -0.80 -5.03 105.19 106.10 1wh9 n GLY 27 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.01 0.08 0.16 1.61 0.11 -1.26 -0.52 120.40 118.57 1wh9 s VAL 28 Ca 0.00 -0.62 0.07 0.00 -2.93 0.00 0.00 61.98 58.50 1wh9 s VAL 28 Cb 0.00 -1.12 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 1wh9 s VAL 28 CO 0.00 -0.34 -0.14 -1.61 -3.33 0.00 0.00 175.10 169.68 1wh9 s GLU 29 N -3.40 1.17 -0.06 1.54 2.02 0.46 -4.86 118.70 115.56 1wh9 s GLU 29 Ca 0.01 -1.42 -0.04 0.00 0.02 0.00 0.00 54.97 53.53 1wh9 s GLU 29 Cb 0.01 -0.97 0.03 0.00 0.10 0.00 0.00 34.13 33.30 1wh9 s GLU 29 CO -0.09 0.17 0.16 0.54 0.02 0.00 0.00 175.26 176.05 1wh9 s VAL 30 N -2.67 -0.03 0.29 2.63 0.11 -1.26 -1.06 120.40 118.42 1wh9 s VAL 30 Ca 0.16 0.09 0.10 0.00 -2.93 0.00 0.00 61.98 59.41 1wh9 s VAL 30 Cb -0.02 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.53 1wh9 s VAL 30 CO 0.04 0.04 -0.15 -0.13 -3.33 0.00 0.00 175.10 171.57 1wh9 s ARG 31 N 0.67 1.66 -0.07 1.54 0.52 -0.34 -5.00 118.95 117.93 1wh9 s ARG 31 Ca -0.05 -1.79 0.05 0.00 -0.52 0.00 0.00 55.73 53.42 1wh9 s ARG 31 Cb -0.07 -1.60 -0.01 0.00 0.52 0.00 0.00 34.95 33.79 1wh9 s ARG 31 CO -0.03 0.23 -0.24 0.54 0.02 0.00 0.00 175.30 175.81 1wh9 s VAL 32 N -2.65 2.10 0.39 3.52 0.11 -1.26 -2.49 120.40 120.12 1wh9 s VAL 32 Ca 0.30 -1.04 0.06 0.00 -2.93 0.00 0.00 61.98 58.37 1wh9 s VAL 32 Cb -0.01 -1.77 -0.07 0.00 -1.53 0.00 0.00 36.38 32.99 1wh9 s VAL 32 CO 0.14 0.57 0.02 0.42 -3.33 0.00 0.00 175.10 172.92 1wh9 s THR 33 N -0.01 1.72 -2.00 5.04 -4.23 -1.17 -5.02 115.64 109.96 1wh9 s THR 33 Ca -0.08 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.55 1wh9 s THR 33 Cb -0.15 -2.89 0.34 0.00 1.34 0.00 0.00 72.50 71.14 1wh9 s THR 33 CO 0.05 0.00 1.25 -0.81 -0.54 0.00 0.00 174.62 174.58 1wh9 n PRO 34 N -0.91 0.72 -0.06 3.99 -0.04 -1.26 -3.97 135.00 133.47 1wh9 n PRO 34 Ca -0.05 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.29 1wh9 n PRO 34 Cb 0.67 -1.26 -0.04 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.76 1.14 -3.85 0.52 -2.24 -1.26 -5.11 114.28 102.72 1wh9 n THR 35 Ca 0.09 0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.80 1wh9 n THR 35 Cb 0.04 -1.88 -0.02 0.00 -2.10 0.00 0.00 70.33 66.37 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 -2.42 1.72 0.61 -0.78 1.70 -1.26 -4.86 118.95 113.67 1wh9 s ARG 36 Ca -0.20 -0.98 -0.18 0.00 -0.47 0.00 0.00 55.73 53.90 1wh9 s ARG 36 Cb 0.06 0.59 -0.03 0.00 -0.57 0.00 0.00 34.95 35.00 1wh9 s ARG 36 CO 0.27 -0.78 1.15 0.99 -1.08 0.00 0.00 175.30 175.85 1wh9 s THR 37 N -3.92 2.98 -0.02 4.99 2.01 -0.37 -3.04 115.64 118.26 1wh9 s THR 37 Ca 0.12 0.55 0.01 0.00 0.31 0.00 0.00 61.69 62.68 1wh9 s THR 37 Cb -0.05 -3.15 0.01 0.00 0.01 0.00 0.00 72.50 69.32 1wh9 s THR 37 CO 0.06 -0.19 -0.05 -1.61 -0.69 0.00 0.00 174.62 172.14 1wh9 s GLU 38 N -3.60 0.58 -0.05 4.92 2.02 -1.04 -2.91 118.70 118.63 1wh9 s GLU 38 Ca 0.72 -0.14 -0.01 0.00 0.02 0.00 0.00 54.97 55.57 1wh9 s GLU 38 Cb -0.25 -0.59 0.03 0.00 0.10 0.00 0.00 34.13 33.41 1wh9 s GLU 38 CO 0.34 0.02 0.01 0.42 0.02 0.00 0.00 175.26 176.07 1wh9 s ILE 39 N 0.38 0.24 -0.24 -1.63 1.01 -0.89 -1.20 121.20 118.87 1wh9 s ILE 39 Ca -0.04 0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.73 1wh9 s ILE 39 Cb -0.08 -0.39 0.07 0.00 0.01 0.00 0.00 42.46 42.07 1wh9 s ILE 39 CO -0.00 0.21 0.02 -0.63 0.00 0.00 0.00 174.94 174.53 1wh9 s ILE 40 N 1.59 0.98 0.46 2.92 1.09 -0.22 -0.55 121.20 127.46 1wh9 s ILE 40 Ca -0.01 -1.02 -0.25 0.00 -1.10 0.00 0.00 60.65 58.27 1wh9 s ILE 40 Cb -0.13 -1.47 -0.08 0.00 -1.06 0.00 0.00 42.46 39.72 1wh9 s ILE 40 CO -0.03 -0.29 1.44 -0.63 -0.10 0.00 0.00 174.94 175.32 1wh9 s ILE 41 N 1.63 2.02 -0.29 2.92 1.01 -0.75 -0.41 121.20 127.33 1wh9 s ILE 41 Ca 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.60 1wh9 s ILE 41 Cb -0.18 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.29 1wh9 s ILE 41 CO -0.11 0.00 0.09 -0.76 0.00 0.00 0.00 174.94 174.15 1wh9 s LEU 42 N -2.77 3.82 0.18 2.97 1.43 0.32 -0.20 118.68 124.43 1wh9 s LEU 42 Ca 0.62 -0.63 -0.09 0.00 -1.03 0.00 0.00 54.13 53.00 1wh9 s LEU 42 Cb -0.44 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 43.87 1wh9 s LEU 42 CO 0.57 -0.17 0.30 0.00 0.23 0.00 0.00 176.35 177.27 1wh9 s ALA 43 N 1.53 0.10 -0.11 4.21 0.00 -0.87 -1.40 121.76 125.22 1wh9 s ALA 43 Ca 0.03 -0.98 -0.27 0.00 0.00 0.00 0.00 51.96 50.74 1wh9 s ALA 43 Cb -0.17 0.95 -0.26 0.00 0.00 0.00 0.00 23.12 23.65 1wh9 s ALA 43 CO 0.03 -0.67 0.86 1.79 0.00 0.00 0.00 175.76 177.76 1wh9 h THR 44 N 2.51 1.70 -3.15 0.00 1.35 -1.45 -0.12 112.91 113.75 1wh9 h THR 44 Ca -0.31 -2.23 -0.80 0.00 -0.55 0.00 0.00 66.41 62.52 1wh9 h THR 44 Cb 1.23 3.20 -0.28 0.00 -1.73 0.00 0.00 68.15 70.57 1wh9 h THR 44 CO 0.47 0.59 0.68 0.54 -0.25 0.00 0.00 175.52 177.54 1wh9 n ARG 45 N -4.56 4.08 -0.25 4.72 1.74 -1.20 -4.74 116.66 116.44 1wh9 n ARG 45 Ca -0.10 -4.49 0.19 0.00 -0.77 0.00 0.00 57.85 52.67 1wh9 n ARG 45 Cb 0.51 -2.54 0.50 0.00 -1.02 0.00 0.00 32.46 29.90 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 3.53 0.68 0.00 0.55 1.35 -1.86 0.18 112.91 117.34 1wh9 h THR 46 Ca 0.20 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 1wh9 h THR 46 Cb 0.72 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 1wh9 h THR 46 CO 1.21 0.08 0.00 -0.61 -0.25 0.00 0.00 175.52 175.95 1wh9 h GLN 47 N 0.44 0.00 0.75 4.72 5.75 -1.96 0.43 115.11 125.24 1wh9 h GLN 47 Ca 0.48 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.94 1wh9 h GLN 47 Cb 1.16 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.71 1wh9 h GLN 47 CO -0.19 0.00 -0.36 -0.91 -2.65 0.00 0.00 178.83 174.71 1wh9 h ASN 48 N 0.00 -0.86 -0.74 -0.69 4.21 -1.32 -3.04 115.58 113.14 1wh9 h ASN 48 Ca 0.00 0.03 0.11 0.00 1.21 0.00 0.00 56.30 57.65 1wh9 h ASN 48 Cb 0.79 0.22 -0.08 0.00 -1.12 0.00 0.00 38.32 38.14 1wh9 h ASN 48 CO 0.00 -0.49 0.36 0.58 -1.29 0.00 0.00 177.43 176.59 1wh9 h VAL 49 N -1.27 0.79 -0.37 2.81 2.07 -0.97 -1.38 116.25 117.93 1wh9 h VAL 49 Ca -0.10 -0.20 -0.13 0.00 0.82 0.00 0.00 66.70 67.09 1wh9 h VAL 49 Cb 0.78 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1wh9 h VAL 49 CO 0.17 0.10 -0.28 -0.07 0.02 0.00 0.00 177.57 177.51 1wh9 h LEU 50 N 0.57 0.89 -0.10 2.57 3.38 -1.06 -3.24 115.31 118.32 1wh9 h LEU 50 Ca 0.38 -0.44 0.14 0.00 0.09 0.00 0.00 57.88 58.05 1wh9 h LEU 50 Cb 0.47 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1wh9 h LEU 50 CO -0.31 1.14 -0.21 0.61 0.09 0.00 0.00 178.44 179.76 1wh9 n GLY 51 N 0.06 -1.58 3.66 0.83 0.00 -0.52 -1.33 105.19 106.30 1wh9 n GLY 51 Ca -0.02 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.30 2.79 -2.80 1.61 2.13 -1.26 -1.76 120.64 119.04 1wh9 n GLU 52 Ca 0.00 1.01 -0.15 0.00 0.66 0.00 0.00 57.16 58.68 1wh9 n GLU 52 Cb 0.24 -3.03 -0.00 0.00 0.27 0.00 0.00 31.44 28.92 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 7.64 -2.77 -0.99 5.31 5.02 -1.26 -0.77 118.16 130.33 1wh9 n LYS 53 Ca 0.21 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 1wh9 n LYS 53 Cb 0.41 -5.13 0.00 0.00 -0.02 0.00 0.00 35.03 30.29 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 -0.92 0.50 0.32 0.72 0.00 -0.72 -5.01 105.19 100.08 1wh9 n GLY 54 Ca -0.08 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 -0.51 -0.81 1.61 3.08 -0.14 -1.28 114.38 116.34 1wh9 h ARG 55 Ca 0.00 0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1wh9 h ARG 55 Cb 0.15 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 1wh9 h ARG 55 CO 0.00 -0.34 0.36 -0.09 -1.07 0.00 0.00 179.97 178.83 1wh9 h ARG 56 N -0.52 1.18 -0.50 0.04 9.65 -1.42 -0.49 114.38 122.31 1wh9 h ARG 56 Ca -0.01 -0.19 -0.04 0.00 -1.10 0.00 0.00 59.98 58.64 1wh9 h ARG 56 Cb 0.51 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 1wh9 h ARG 56 CO -0.17 0.93 0.17 0.97 2.80 0.00 0.00 179.97 184.67 1wh9 h ILE 57 N 1.16 1.22 -0.40 1.20 2.10 -1.37 0.11 117.51 121.53 1wh9 h ILE 57 Ca 0.27 -0.73 -0.13 0.00 1.08 0.00 0.00 64.86 65.36 1wh9 h ILE 57 Cb 0.16 0.76 -0.01 0.00 -1.09 0.00 0.00 36.82 36.64 1wh9 h ILE 57 CO -0.03 0.27 -0.26 -0.09 -1.08 0.00 0.00 178.15 176.96 1wh9 h ARG 58 N 0.67 0.83 -0.05 2.19 2.43 -0.94 -0.56 114.38 118.96 1wh9 h ARG 58 Ca 0.16 -0.36 0.03 0.00 -0.81 0.00 0.00 59.98 59.00 1wh9 h ARG 58 Cb 0.24 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 1wh9 h ARG 58 CO -0.01 0.99 -0.13 0.93 -1.51 0.00 0.00 179.97 180.25 1wh9 h GLU 59 N 0.71 -0.19 0.00 0.20 5.08 -0.85 -2.29 114.58 117.25 1wh9 h GLU 59 Ca 0.09 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1wh9 h GLU 59 Cb 0.80 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1wh9 h GLU 59 CO 0.07 -0.13 -0.09 -0.07 -1.00 0.00 0.00 179.01 177.79 1wh9 h LEU 60 N -0.20 0.00 0.04 1.33 3.38 -0.47 -0.68 115.31 118.72 1wh9 h LEU 60 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1wh9 h LEU 60 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1wh9 h LEU 60 CO -0.16 0.09 -0.02 0.74 0.09 0.00 0.00 178.44 179.17 1wh9 h THR 61 N 0.00 0.99 -0.28 0.22 2.02 -0.55 0.62 112.91 115.92 1wh9 h THR 61 Ca -0.00 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1wh9 h THR 61 Cb 0.20 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1wh9 h THR 61 CO 0.01 0.02 0.09 0.00 0.37 0.00 0.00 175.52 176.01 1wh9 h ALA 62 N 0.85 0.37 -0.43 6.16 0.00 -0.88 0.82 119.26 126.15 1wh9 h ALA 62 Ca -0.01 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 1wh9 h ALA 62 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1wh9 h ALA 62 CO 0.01 0.00 -0.26 -0.24 0.00 0.00 0.00 179.25 178.76 1wh9 h VAL 63 N 0.30 1.27 -0.66 0.00 3.04 -1.15 -1.75 116.25 117.29 1wh9 h VAL 63 Ca 0.09 -1.42 0.02 0.00 -1.01 0.00 0.00 66.70 64.38 1wh9 h VAL 63 Cb 0.24 1.21 -0.04 0.00 -2.01 0.00 0.00 31.29 30.70 1wh9 h VAL 63 CO -0.00 0.48 0.42 0.58 -1.01 0.00 0.00 177.57 178.04 1wh9 h VAL 64 N 0.78 1.13 -0.98 1.51 2.07 -0.71 0.17 116.25 120.22 1wh9 h VAL 64 Ca 0.09 -0.29 0.12 0.00 0.82 0.00 0.00 66.70 67.44 1wh9 h VAL 64 Cb 0.82 0.21 -0.08 0.00 -1.52 0.00 0.00 31.29 30.71 1wh9 h VAL 64 CO 0.07 0.15 0.61 1.56 0.02 0.00 0.00 177.57 179.99 1wh9 h GLN 65 N 0.85 0.94 0.28 1.57 4.20 -0.54 0.13 115.11 122.53 1wh9 h GLN 65 Ca 0.25 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 1wh9 h GLN 65 Cb -0.04 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.53 1wh9 h GLN 65 CO -0.08 0.62 -0.14 -0.22 -0.67 0.00 0.00 178.83 178.35 1wh9 h LYS 66 N 0.97 -0.36 -0.95 1.46 3.64 -0.58 -1.42 116.57 119.33 1wh9 h LYS 66 Ca 0.49 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 60.00 1wh9 h LYS 66 Cb 0.48 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.30 1wh9 h LYS 66 CO -0.27 -0.24 0.61 -0.09 -2.27 0.00 0.00 179.45 177.19 1wh9 h ARG 67 N -0.55 0.90 -0.01 1.90 1.12 -0.33 -2.03 114.38 115.38 1wh9 h ARG 67 Ca -0.04 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.78 1wh9 h ARG 67 Cb 0.29 -0.20 0.00 0.00 -0.01 0.00 0.00 29.97 30.05 1wh9 h ARG 67 CO 0.06 0.60 -0.25 1.19 -3.11 0.00 0.00 179.97 178.46 1wh9 n PHE 68 N -4.57 0.00 -3.53 2.20 3.01 0.42 -5.02 117.46 109.98 1wh9 n PHE 68 Ca 0.17 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.44 1wh9 n PHE 68 Cb 0.34 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.88 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 0.99 -0.44 3.83 1.37 0.00 -0.56 -4.98 105.19 105.41 1wh9 n GLY 69 Ca 0.05 0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.49 3.36 -0.20 1.61 0.08 -1.06 -5.03 117.98 113.26 1wh9 s PHE 70 Ca 0.06 1.49 -0.29 0.00 0.12 0.00 0.00 56.93 58.32 1wh9 s PHE 70 Cb -0.01 -2.83 -0.02 0.00 -0.57 0.00 0.00 43.02 39.58 1wh9 s PHE 70 CO 0.77 -0.44 1.44 -1.25 -0.10 0.00 0.00 175.22 175.64 1wh9 s PRO 71 N -3.94 4.00 0.45 0.24 0.04 -1.26 -4.93 135.00 129.61 1wh9 s PRO 71 Ca 0.60 1.63 -0.25 0.00 0.04 0.00 0.00 61.00 63.02 1wh9 s PRO 71 Cb -0.11 -3.91 -0.09 0.00 0.04 0.00 0.00 34.50 30.43 1wh9 s PRO 71 CO 0.29 -1.03 1.28 -0.85 0.04 0.00 0.00 177.00 176.74 1wh9 n GLU 72 N 7.21 1.88 0.00 4.56 0.00 -1.26 -1.84 120.64 131.19 1wh9 n GLU 72 Ca 0.16 0.67 0.00 0.00 0.00 0.00 0.00 57.16 58.00 1wh9 n GLU 72 Cb 0.45 -2.42 0.00 0.00 0.00 0.00 0.00 31.44 29.47 1wh9 n GLU 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1wh9 n GLY 73 N 0.80 1.63 0.61 -1.84 0.00 -1.26 -4.72 105.19 100.42 1wh9 n GLY 73 Ca 0.07 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 2.45 1.54 -3.93 1.61 7.64 -0.77 -4.69 113.62 117.48 1wh9 n SER 74 Ca 0.00 -2.12 -0.17 0.00 1.01 0.00 0.00 58.87 57.59 1wh9 n SER 74 Cb 0.00 -0.41 -0.15 0.00 -1.01 0.00 0.00 64.21 62.64 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 -1.45 0.45 -0.03 0.44 0.11 -1.10 -1.24 120.40 117.57 1wh9 s VAL 75 Ca 0.10 -0.18 0.03 0.00 -2.93 0.00 0.00 61.98 59.00 1wh9 s VAL 75 Cb 0.07 -0.42 0.00 0.00 -1.53 0.00 0.00 36.38 34.50 1wh9 s VAL 75 CO 0.04 0.16 -0.11 -1.61 -3.33 0.00 0.00 175.10 170.25 1wh9 s GLU 76 N 0.27 1.17 -0.11 1.54 2.02 -1.14 -4.98 118.70 117.47 1wh9 s GLU 76 Ca -0.03 -0.37 -0.00 0.00 0.02 0.00 0.00 54.97 54.59 1wh9 s GLU 76 Cb -0.07 -1.06 -0.02 0.00 0.10 0.00 0.00 34.13 33.07 1wh9 s GLU 76 CO -0.00 0.13 -0.08 -0.51 0.02 0.00 0.00 175.26 174.81 1wh9 s LEU 77 N 0.22 3.04 0.43 1.80 1.02 -1.26 -2.09 118.68 121.83 1wh9 s LEU 77 Ca -0.04 -0.15 0.03 0.00 0.02 0.00 0.00 54.13 53.99 1wh9 s LEU 77 Cb -0.10 -1.68 -0.03 0.00 0.02 0.00 0.00 46.19 44.40 1wh9 s LEU 77 CO 0.01 0.26 0.09 -0.31 0.02 0.00 0.00 176.35 176.42 1wh9 s TYR 78 N -0.17 1.83 0.08 0.29 2.02 0.29 -4.98 117.35 116.71 1wh9 s TYR 78 Ca 0.02 -1.17 0.01 0.00 -0.37 0.00 0.00 57.07 55.56 1wh9 s TYR 78 Cb -0.13 -1.28 -0.04 0.00 -0.40 0.00 0.00 41.96 40.11 1wh9 s TYR 78 CO 0.03 -0.14 -0.06 0.00 -1.57 0.00 0.00 175.55 173.81 1wh9 s ALA 79 N -3.13 0.85 0.03 3.71 0.00 -1.26 -1.81 121.76 120.15 1wh9 s ALA 79 Ca 0.21 -1.26 -0.00 0.00 0.00 0.00 0.00 51.96 50.91 1wh9 s ALA 79 Cb 0.03 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 1wh9 s ALA 79 CO 0.12 -0.23 -0.03 -2.00 0.00 0.00 0.00 175.76 173.62 1wh9 s GLU 80 N -3.58 0.41 -0.09 0.00 2.56 0.72 -4.84 118.70 113.88 1wh9 s GLU 80 Ca 0.08 -0.81 -0.13 0.00 0.00 0.00 0.00 54.97 54.11 1wh9 s GLU 80 Cb 0.04 0.14 -0.05 0.00 2.00 0.00 0.00 34.13 36.26 1wh9 s GLU 80 CO -0.05 -0.07 0.32 0.21 -0.56 0.00 0.00 175.26 175.11 1wh9 s LYS 81 N -2.26 3.97 0.34 4.30 2.20 -1.26 -2.05 119.74 124.98 1wh9 s LYS 81 Ca -0.08 0.20 -0.26 0.00 -0.36 0.00 0.00 55.97 55.47 1wh9 s LYS 81 Cb -0.04 -3.30 -0.09 0.00 -1.51 0.00 0.00 37.83 32.88 1wh9 s LYS 81 CO -0.04 0.52 1.00 0.14 -0.36 0.00 0.00 175.35 176.61 1wh9 s VAL 82 N -0.43 3.96 0.00 4.02 -7.23 -0.06 -4.85 120.40 115.81 1wh9 s VAL 82 Ca 0.20 1.64 0.00 0.00 -1.81 0.00 0.00 61.98 62.00 1wh9 s VAL 82 Cb -0.14 -3.91 0.00 0.00 0.56 0.00 0.00 36.38 32.88 1wh9 s VAL 82 CO 0.08 0.14 0.00 0.00 -0.31 0.00 0.00 175.10 175.02 1wh9 n ALA 83 N 0.49 0.00 0.00 1.32 0.00 -1.26 -4.76 120.51 116.29 1wh9 n ALA 83 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1wh9 n ALA 83 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1wh9 n ALA 83 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wh9 n THR 84 N 0.00 0.00 -1.62 0.00 -2.24 -1.26 -5.01 114.28 104.16 1wh9 n THR 84 Ca 0.00 -0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.24 1wh9 n THR 84 Cb 0.00 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 1wh9 n THR 84 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wh9 n ARG 85 N -1.05 2.21 -1.78 -0.78 5.12 -1.26 -4.99 116.66 114.12 1wh9 n ARG 85 Ca 0.00 0.68 -0.37 0.00 -1.93 0.00 0.00 57.85 56.23 1wh9 n ARG 85 Cb 0.00 -3.16 0.06 0.00 -1.16 0.00 0.00 32.46 28.20 1wh9 n ARG 85 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1wh9 s GLY 86 N 7.19 2.80 0.30 -0.13 0.00 -1.26 -5.07 107.32 111.15 1wh9 s GLY 86 Ca 0.98 1.15 0.04 0.00 0.00 0.00 0.00 44.72 46.89 1wh9 s GLY 86 CO 0.38 1.57 0.03 -0.56 0.00 0.00 0.00 173.10 174.52 1wh9 s SER 87 N -1.48 2.28 0.00 1.64 0.01 -1.26 -5.16 113.70 109.73 1wh9 s SER 87 Ca 0.81 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 56.75 1wh9 s SER 87 Cb -0.35 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 65.81 1wh9 s SER 87 CO 0.38 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1wh9 n GLY 88 N -0.61 3.09 3.55 3.44 0.00 -1.26 -5.08 105.19 108.32 1wh9 n GLY 88 Ca -0.03 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 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 1.61 2.42 -0.06 1.61 0.04 -1.26 -4.73 135.00 134.63 1wh9 s PRO 89 Ca 0.00 0.45 -0.05 0.00 0.04 0.00 0.00 61.00 61.45 1wh9 s PRO 89 Cb 0.00 -4.66 -0.02 0.00 0.04 0.00 0.00 34.50 29.87 1wh9 s PRO 89 CO 0.00 -3.18 -0.09 0.45 0.04 0.00 0.00 177.00 174.22 1wh9 n SER 90 N 14.20 0.69 -1.01 6.66 2.88 -1.26 -5.12 113.62 130.64 1wh9 n SER 90 Ca 0.31 0.27 0.09 0.00 -1.33 0.00 0.00 58.87 58.22 1wh9 n SER 90 Cb 0.50 -0.61 -0.02 0.00 -0.75 0.00 0.00 64.21 63.32 1wh9 n SER 90 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wh9 n SER 91 N -3.17 -6.03 0.00 -3.46 7.64 -1.26 -5.35 113.62 101.99 1wh9 n SER 91 Ca -0.04 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.58 1wh9 n SER 91 Cb 0.14 -2.13 0.00 0.00 -1.01 0.00 0.00 64.21 61.21 1wh9 n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64