#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 4.18 -0.31 1.61 0.01 -1.26 -4.84 113.70 113.09 1wh9 s SER 2 Ca 0.00 -1.58 0.00 0.00 1.31 0.00 0.00 55.95 55.68 1wh9 s SER 2 Cb 0.00 -1.24 0.14 0.00 0.21 0.00 0.00 66.02 65.13 1wh9 s SER 2 CO 0.00 -0.32 0.31 -0.55 0.41 0.00 0.00 173.24 173.09 1wh9 s SER 3 N 1.30 1.65 0.00 2.44 0.15 -1.26 -4.93 113.70 113.05 1wh9 s SER 3 Ca 0.03 -1.00 0.00 0.00 0.70 0.00 0.00 55.95 55.67 1wh9 s SER 3 Cb -0.19 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1wh9 s SER 3 CO -0.11 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.58 1wh9 n GLY 4 N 5.03 2.90 3.78 9.45 0.00 -1.26 -5.06 105.19 120.03 1wh9 n GLY 4 Ca 0.01 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.71 1wh9 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh9 s SER 5 N -0.03 7.34 0.13 1.61 0.01 -1.26 -5.08 113.70 116.43 1wh9 s SER 5 Ca 0.00 1.73 -0.03 0.00 1.31 0.00 0.00 55.95 58.97 1wh9 s SER 5 Cb 0.00 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 1wh9 s SER 5 CO 0.00 0.04 0.09 -0.44 0.41 0.00 0.00 173.24 173.35 1wh9 s SER 6 N -1.46 0.27 0.42 2.44 0.01 -1.26 -4.64 113.70 109.47 1wh9 s SER 6 Ca 0.44 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1wh9 s SER 6 Cb -0.20 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.34 1wh9 s SER 6 CO 0.25 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.76 1wh9 n GLY 7 N -0.10 0.04 0.25 3.44 0.00 -1.26 -4.06 105.19 103.50 1wh9 n GLY 7 Ca -0.06 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.33 -0.90 1.61 3.57 -2.00 -1.33 116.94 117.57 1wh9 h PHE 8 Ca 0.00 0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.62 1wh9 h PHE 8 Cb 0.00 0.25 -0.06 0.00 2.79 0.00 0.00 35.95 38.93 1wh9 h PHE 8 CO 0.00 -0.28 0.58 -0.22 -2.23 0.00 0.00 178.31 176.16 1wh9 h LYS 9 N 0.01 0.99 -0.15 1.11 3.64 -1.98 -0.55 116.57 119.64 1wh9 h LYS 9 Ca 0.32 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.57 1wh9 h LYS 9 Cb 0.49 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1wh9 h LYS 9 CO -0.67 0.66 -0.18 0.00 -2.27 0.00 0.00 179.45 176.98 1wh9 h ALA 10 N 1.51 0.23 -0.21 5.00 0.00 -1.40 0.82 119.26 125.21 1wh9 h ALA 10 Ca 0.38 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1wh9 h ALA 10 Cb 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1wh9 h ALA 10 CO -0.14 0.14 0.06 0.93 0.00 0.00 0.00 179.25 180.24 1wh9 h GLU 11 N 0.01 0.15 -0.53 0.00 4.39 -1.01 -2.30 114.58 115.30 1wh9 h GLU 11 Ca 0.02 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 1wh9 h GLU 11 Cb 0.73 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 1wh9 h GLU 11 CO 0.04 0.10 0.05 1.25 -1.16 0.00 0.00 179.01 179.30 1wh9 h LEU 12 N 0.16 0.88 -0.14 1.33 5.85 -1.11 -1.65 115.31 120.62 1wh9 h LEU 12 Ca 0.09 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.56 1wh9 h LEU 12 Cb 0.07 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1wh9 h LEU 12 CO -0.10 0.94 -0.04 -1.13 -0.34 0.00 0.00 178.44 177.76 1wh9 h ASN 13 N 0.78 -0.16 -0.57 1.25 -1.24 -0.71 -0.28 115.58 114.66 1wh9 h ASN 13 Ca 0.16 0.05 -0.04 0.00 0.71 0.00 0.00 56.30 57.17 1wh9 h ASN 13 Cb 0.46 0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.58 1wh9 h ASN 13 CO 0.02 -0.06 0.20 -0.33 -1.29 0.00 0.00 177.43 175.96 1wh9 h GLU 14 N -0.02 0.87 -0.02 6.67 4.39 -1.24 0.21 114.58 125.44 1wh9 h GLU 14 Ca 0.07 -0.18 0.03 0.00 0.34 0.00 0.00 59.36 59.62 1wh9 h GLU 14 Cb 0.12 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1wh9 h GLU 14 CO -0.15 0.77 -0.15 0.35 -1.16 0.00 0.00 179.01 178.67 1wh9 h PHE 15 N 0.79 -0.38 -0.48 4.33 3.57 -1.06 -2.19 116.94 121.52 1wh9 h PHE 15 Ca 0.18 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.59 1wh9 h PHE 15 Cb 0.25 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1wh9 h PHE 15 CO 0.01 -0.22 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.67 1wh9 h LEU 16 N -0.23 0.91 -0.82 0.59 3.38 -0.88 -0.83 115.31 117.42 1wh9 h LEU 16 Ca 0.06 -0.30 0.10 0.00 0.09 0.00 0.00 57.88 57.83 1wh9 h LEU 16 Cb 0.31 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 1wh9 h LEU 16 CO -0.16 1.05 0.46 0.74 0.09 0.00 0.00 178.44 180.62 1wh9 h THR 17 N 0.81 0.87 0.54 0.22 2.02 -0.31 0.83 112.91 117.89 1wh9 h THR 17 Ca 0.12 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 1wh9 h THR 17 Cb 0.67 0.06 0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1wh9 h THR 17 CO 0.05 0.14 -0.26 0.03 0.37 0.00 0.00 175.52 175.84 1wh9 h ARG 18 N 0.75 -0.71 0.00 6.66 -0.00 -1.17 -2.54 114.38 117.36 1wh9 h ARG 18 Ca 0.41 0.05 -0.00 0.00 -0.50 0.00 0.00 59.98 59.93 1wh9 h ARG 18 Cb 0.42 0.16 -0.00 0.00 0.00 0.00 0.00 29.97 30.55 1wh9 h ARG 18 CO -0.27 -0.47 -0.01 0.93 0.00 0.00 0.00 179.97 180.15 1wh9 h GLU 19 N -1.05 0.00 0.00 0.04 3.07 -0.67 -2.17 114.58 113.80 1wh9 h GLU 19 Ca -0.07 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1wh9 h GLU 19 Cb 0.56 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1wh9 h GLU 19 CO 0.12 0.01 -0.15 1.28 -1.40 0.00 0.00 179.01 178.88 1wh9 n LEU 20 N -3.35 2.11 -0.03 1.33 4.77 0.24 -4.87 117.00 117.20 1wh9 n LEU 20 Ca -0.03 -2.95 -0.10 0.00 -0.03 0.00 0.00 56.01 52.91 1wh9 n LEU 20 Cb 0.11 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 1wh9 n LEU 20 CO 0.24 0.75 0.64 0.00 -1.33 0.00 0.00 177.39 177.69 1wh9 h ALA 21 N 0.16 -0.35 0.00 -1.18 0.00 -0.94 -0.16 119.26 116.80 1wh9 h ALA 21 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wh9 h ALA 21 Cb 1.06 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1wh9 h ALA 21 CO 0.00 -0.79 0.00 0.93 0.00 0.00 0.00 179.25 179.39 1wh9 h GLU 22 N -0.37 0.00 0.00 0.00 4.39 -1.88 -3.30 114.58 113.42 1wh9 h GLU 22 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1wh9 h GLU 22 Cb 0.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1wh9 h GLU 22 CO -0.40 0.00 -0.04 -0.44 -1.16 0.00 0.00 179.01 176.97 1wh9 h ASP 23 N 0.00 0.00 -0.53 1.42 3.32 -1.38 -3.47 116.42 115.79 1wh9 h ASP 23 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1wh9 h ASP 23 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1wh9 h ASP 23 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1wh9 n GLY 24 N 1.26 0.97 3.57 2.75 0.00 -1.21 -4.32 105.19 108.21 1wh9 n GLY 24 Ca 0.05 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.26 -0.03 0.00 1.61 9.36 -1.20 -1.05 117.16 124.59 1wh9 n TYR 25 Ca 0.00 0.34 0.00 0.00 3.32 0.00 0.00 57.90 61.56 1wh9 n TYR 25 Cb 0.26 -1.93 0.00 0.00 -0.63 0.00 0.00 39.34 37.03 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 -2.74 0.00 0.00 2.98 7.64 -0.50 -4.81 113.62 116.19 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 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1wh9 n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh9 n GLY 27 N 0.13 -1.09 3.24 0.23 0.00 -0.72 -5.01 105.19 101.98 1wh9 n GLY 27 Ca 0.00 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 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 0.05 -0.15 1.61 0.11 -1.26 -0.51 120.40 117.26 1wh9 s VAL 28 Ca 0.00 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 1wh9 s VAL 28 Cb 0.00 -0.61 0.02 0.00 -1.53 0.00 0.00 36.38 34.26 1wh9 s VAL 28 CO 0.00 -0.24 -0.13 -1.61 -3.33 0.00 0.00 175.10 169.80 1wh9 s GLU 29 N -1.22 2.13 0.09 1.54 2.02 -0.19 -4.93 118.70 118.15 1wh9 s GLU 29 Ca -0.13 -0.53 -0.27 0.00 0.02 0.00 0.00 54.97 54.07 1wh9 s GLU 29 Cb -0.05 -2.04 -0.06 0.00 0.10 0.00 0.00 34.13 32.08 1wh9 s GLU 29 CO 0.04 -0.26 0.85 0.54 0.02 0.00 0.00 175.26 176.45 1wh9 s VAL 30 N 1.52 4.57 -0.23 2.63 0.11 -1.26 -0.44 120.40 127.30 1wh9 s VAL 30 Ca 0.04 1.83 -0.05 0.00 -2.93 0.00 0.00 61.98 60.87 1wh9 s VAL 30 Cb -0.13 -4.21 -0.02 0.00 -1.53 0.00 0.00 36.38 30.50 1wh9 s VAL 30 CO -0.10 0.37 0.00 -0.13 -3.33 0.00 0.00 175.10 171.92 1wh9 s ARG 31 N -0.22 3.51 -0.20 1.54 0.52 0.04 -4.99 118.95 119.15 1wh9 s ARG 31 Ca 0.41 -0.56 -0.25 0.00 -0.52 0.00 0.00 55.73 54.81 1wh9 s ARG 31 Cb -0.22 -3.13 -0.01 0.00 0.52 0.00 0.00 34.95 32.11 1wh9 s ARG 31 CO 0.26 -0.17 0.84 0.54 0.02 0.00 0.00 175.30 176.80 1wh9 s VAL 32 N 1.47 4.85 0.34 3.52 0.11 -1.26 -0.47 120.40 128.95 1wh9 s VAL 32 Ca 0.05 1.63 0.09 0.00 -2.93 0.00 0.00 61.98 60.83 1wh9 s VAL 32 Cb -0.15 -4.14 -0.06 0.00 -1.53 0.00 0.00 36.38 30.50 1wh9 s VAL 32 CO -0.00 -0.03 -0.10 0.42 -3.33 0.00 0.00 175.10 172.06 1wh9 s THR 33 N 2.50 2.22 -2.00 5.04 -4.23 -0.72 -5.00 115.64 113.45 1wh9 s THR 33 Ca 0.37 -2.21 0.16 0.00 -1.18 0.00 0.00 61.69 58.83 1wh9 s THR 33 Cb -0.16 -2.62 0.47 0.00 1.34 0.00 0.00 72.50 71.52 1wh9 s THR 33 CO 0.10 -0.21 1.45 -0.81 -0.54 0.00 0.00 174.62 174.60 1wh9 n PRO 34 N -0.78 0.71 -0.05 3.99 -0.04 -1.26 -3.63 135.00 133.95 1wh9 n PRO 34 Ca -0.05 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.34 1wh9 n PRO 34 Cb 0.63 -1.36 -0.04 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.86 0.54 -3.83 0.52 -2.24 -1.26 -5.10 114.28 102.05 1wh9 n THR 35 Ca 0.12 -0.19 -0.07 0.00 -2.27 0.00 0.00 64.05 61.64 1wh9 n THR 35 Cb 0.06 -0.97 -0.00 0.00 -2.10 0.00 0.00 70.33 67.31 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 -2.19 1.78 0.41 -0.78 1.70 -1.24 -4.94 118.95 113.70 1wh9 s ARG 36 Ca -0.13 -1.06 -0.24 0.00 -0.47 0.00 0.00 55.73 53.84 1wh9 s ARG 36 Cb 0.04 0.56 -0.09 0.00 -0.57 0.00 0.00 34.95 34.89 1wh9 s ARG 36 CO 0.21 -0.82 1.06 0.99 -1.08 0.00 0.00 175.30 175.65 1wh9 s THR 37 N -3.18 3.68 0.02 4.99 2.01 -0.16 -1.76 115.64 121.24 1wh9 s THR 37 Ca 0.13 1.26 0.06 0.00 0.31 0.00 0.00 61.69 63.45 1wh9 s THR 37 Cb -0.05 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 1wh9 s THR 37 CO 0.07 -0.02 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.21 1wh9 s GLU 38 N -2.58 1.21 -0.12 4.92 2.02 0.37 -1.32 118.70 123.21 1wh9 s GLU 38 Ca 0.59 -0.76 -0.01 0.00 0.02 0.00 0.00 54.97 54.81 1wh9 s GLU 38 Cb -0.22 -1.23 0.03 0.00 0.10 0.00 0.00 34.13 32.81 1wh9 s GLU 38 CO 0.27 0.32 -0.03 0.42 0.02 0.00 0.00 175.26 176.27 1wh9 s ILE 39 N -0.68 0.72 -0.46 -1.63 1.01 -0.36 -0.78 121.20 119.02 1wh9 s ILE 39 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1wh9 s ILE 39 Cb -0.08 -0.88 0.12 0.00 0.01 0.00 0.00 42.46 41.63 1wh9 s ILE 39 CO 0.01 0.21 0.23 -0.63 0.00 0.00 0.00 174.94 174.76 1wh9 s ILE 40 N 1.82 3.02 0.04 2.92 1.09 0.41 -0.10 121.20 130.41 1wh9 s ILE 40 Ca 0.04 -2.57 -0.31 0.00 -1.10 0.00 0.00 60.65 56.71 1wh9 s ILE 40 Cb -0.13 -3.08 -0.07 0.00 -1.06 0.00 0.00 42.46 38.12 1wh9 s ILE 40 CO -0.07 -0.73 1.53 -0.63 -0.10 0.00 0.00 174.94 174.94 1wh9 s ILE 41 N 0.54 3.33 -0.36 2.92 1.09 -0.93 -1.02 121.20 126.77 1wh9 s ILE 41 Ca 0.12 0.77 -0.16 0.00 -1.10 0.00 0.00 60.65 60.28 1wh9 s ILE 41 Cb -0.22 -3.49 -0.00 0.00 -1.06 0.00 0.00 42.46 37.69 1wh9 s ILE 41 CO -0.04 0.00 0.41 -0.76 -0.10 0.00 0.00 174.94 174.45 1wh9 s LEU 42 N 2.44 4.52 0.22 2.97 1.43 0.33 -0.78 118.68 129.82 1wh9 s LEU 42 Ca 0.69 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 53.48 1wh9 s LEU 42 Cb -0.36 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 1wh9 s LEU 42 CO 0.30 -0.42 0.19 0.00 0.23 0.00 0.00 176.35 176.64 1wh9 s ALA 43 N 2.12 1.08 -0.52 4.21 0.00 -0.91 -1.40 121.76 126.33 1wh9 s ALA 43 Ca 0.13 -1.65 0.24 0.00 0.00 0.00 0.00 51.96 50.69 1wh9 s ALA 43 Cb -0.16 1.36 0.44 0.00 0.00 0.00 0.00 23.12 24.76 1wh9 s ALA 43 CO 0.12 -0.63 1.57 1.79 0.00 0.00 0.00 175.76 178.62 1wh9 h THR 44 N 2.52 0.00 -2.10 0.00 1.35 -1.35 -1.70 112.91 111.65 1wh9 h THR 44 Ca -0.34 -0.80 -0.53 0.00 -0.55 0.00 0.00 66.41 64.20 1wh9 h THR 44 Cb 1.25 1.71 -0.41 0.00 -1.73 0.00 0.00 68.15 68.97 1wh9 h THR 44 CO 0.49 0.00 -0.99 0.54 -0.25 0.00 0.00 175.52 175.31 1wh9 n ARG 45 N -2.72 1.69 -0.32 4.72 5.12 -1.26 -4.83 116.66 119.06 1wh9 n ARG 45 Ca 0.04 -3.87 0.14 0.00 -1.93 0.00 0.00 57.85 52.23 1wh9 n ARG 45 Cb 0.49 -1.84 0.32 0.00 -1.16 0.00 0.00 32.46 30.27 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 1.81 0.54 -0.81 0.55 1.35 -1.86 -0.73 112.91 113.75 1wh9 h THR 46 Ca 0.11 -0.17 0.05 0.00 -0.55 0.00 0.00 66.41 65.85 1wh9 h THR 46 Cb 0.81 -0.01 -0.06 0.00 -1.73 0.00 0.00 68.15 67.16 1wh9 h THR 46 CO 0.61 0.09 0.50 0.06 -0.25 0.00 0.00 175.52 176.53 1wh9 h GLN 47 N 0.50 0.92 -0.15 4.72 -0.00 -1.96 -1.21 115.11 117.94 1wh9 h GLN 47 Ca 0.57 -0.06 -0.13 0.00 -0.00 0.00 0.00 58.65 59.04 1wh9 h GLN 47 Cb 1.05 -0.21 0.00 0.00 -0.00 0.00 0.00 27.48 28.33 1wh9 h GLN 47 CO -0.48 0.61 -0.43 -0.91 -0.00 0.00 0.00 178.83 177.62 1wh9 h ASN 48 N 0.95 0.64 -0.14 0.06 4.21 -1.54 -3.18 115.58 116.58 1wh9 h ASN 48 Ca 0.34 -0.59 -0.00 0.00 1.21 0.00 0.00 56.30 57.26 1wh9 h ASN 48 Cb 0.11 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.12 1wh9 h ASN 48 CO -0.15 1.11 0.08 0.58 -1.29 0.00 0.00 177.43 177.77 1wh9 h VAL 49 N 0.19 1.05 -0.09 2.81 2.07 -0.64 0.92 116.25 122.57 1wh9 h VAL 49 Ca -0.01 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 67.26 1wh9 h VAL 49 Cb 1.04 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1wh9 h VAL 49 CO 0.09 0.06 -0.48 -0.07 0.02 0.00 0.00 177.57 177.19 1wh9 h LEU 50 N 0.21 0.24 -0.23 2.57 3.38 -1.26 -3.30 115.31 116.93 1wh9 h LEU 50 Ca 0.06 -0.11 0.19 0.00 0.09 0.00 0.00 57.88 58.11 1wh9 h LEU 50 Cb 0.01 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.62 1wh9 h LEU 50 CO -0.01 0.68 -0.47 0.61 0.09 0.00 0.00 178.44 179.34 1wh9 n GLY 51 N -0.04 -2.33 3.69 0.83 0.00 0.32 -1.55 105.19 106.10 1wh9 n GLY 51 Ca -0.02 -1.29 -0.44 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.43 2.58 -4.34 1.61 2.13 -1.26 -1.90 120.64 116.03 1wh9 n GLU 52 Ca -0.02 0.94 -0.36 0.00 0.66 0.00 0.00 57.16 58.37 1wh9 n GLU 52 Cb 0.35 -2.80 -0.06 0.00 0.27 0.00 0.00 31.44 29.19 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 5.26 -1.68 -1.10 5.31 4.76 -1.26 -1.67 118.16 127.79 1wh9 n LYS 53 Ca 0.18 0.22 -0.03 0.00 -2.87 0.00 0.00 58.31 55.81 1wh9 n LYS 53 Cb 0.34 -4.51 -0.01 0.00 -1.84 0.00 0.00 35.03 29.01 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 -1.63 0.54 0.20 0.72 0.00 -0.80 -4.91 105.19 99.32 1wh9 n GLY 54 Ca -0.05 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 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 0.32 -0.12 -0.04 1.61 2.47 -1.24 -1.96 114.38 115.42 1wh9 h ARG 55 Ca -0.07 0.01 -0.20 0.00 -1.26 0.00 0.00 59.98 58.46 1wh9 h ARG 55 Cb 0.60 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.95 1wh9 h ARG 55 CO 0.10 -0.08 -0.81 -0.09 0.56 0.00 0.00 179.97 179.65 1wh9 h ARG 56 N -0.13 0.35 -0.43 0.04 9.65 -1.55 -0.65 114.38 121.66 1wh9 h ARG 56 Ca 0.14 -0.33 -0.08 0.00 -1.10 0.00 0.00 59.98 58.61 1wh9 h ARG 56 Cb 0.34 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.98 1wh9 h ARG 56 CO -0.34 0.99 -0.07 0.97 2.80 0.00 0.00 179.97 184.33 1wh9 h ILE 57 N 0.22 1.25 -0.60 1.20 2.10 -1.22 0.96 117.51 121.42 1wh9 h ILE 57 Ca -0.05 -1.08 -0.07 0.00 1.08 0.00 0.00 64.86 64.74 1wh9 h ILE 57 Cb 1.41 0.99 -0.02 0.00 -1.09 0.00 0.00 36.82 38.11 1wh9 h ILE 57 CO 0.14 0.37 0.10 -0.09 -1.08 0.00 0.00 178.15 177.59 1wh9 h ARG 58 N 0.68 1.00 0.68 2.19 2.43 -1.08 0.45 114.38 120.73 1wh9 h ARG 58 Ca 0.12 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 59.00 1wh9 h ARG 58 Cb 0.52 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1wh9 h ARG 58 CO 0.03 0.94 -0.50 0.93 -1.51 0.00 0.00 179.97 179.86 1wh9 h GLU 59 N 0.90 -1.09 -0.71 0.20 5.08 -0.80 -2.76 114.58 115.41 1wh9 h GLU 59 Ca 0.18 0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.69 1wh9 h GLU 59 Cb 0.42 0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 1wh9 h GLU 59 CO 0.01 -0.73 0.47 -0.07 -1.00 0.00 0.00 179.01 177.69 1wh9 h LEU 60 N -1.13 0.62 -0.03 1.33 3.38 -0.70 -0.35 115.31 118.43 1wh9 h LEU 60 Ca -0.09 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1wh9 h LEU 60 Cb 0.93 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 1wh9 h LEU 60 CO 0.04 0.39 -0.16 0.74 0.09 0.00 0.00 178.44 179.53 1wh9 h THR 61 N 0.70 0.59 -0.30 0.22 2.02 -0.85 0.04 112.91 115.32 1wh9 h THR 61 Ca 0.31 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.46 1wh9 h THR 61 Cb 0.31 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1wh9 h THR 61 CO -0.10 0.00 0.08 0.00 0.37 0.00 0.00 175.52 175.87 1wh9 h ALA 62 N 0.70 0.39 -0.28 6.16 0.00 -0.81 0.95 119.26 126.38 1wh9 h ALA 62 Ca 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1wh9 h ALA 62 Cb 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1wh9 h ALA 62 CO -0.18 0.05 0.08 -0.24 0.00 0.00 0.00 179.25 178.96 1wh9 h VAL 63 N 0.32 1.20 -0.44 0.00 3.04 -1.13 -1.36 116.25 117.89 1wh9 h VAL 63 Ca 0.10 -0.65 0.03 0.00 -1.01 0.00 0.00 66.70 65.17 1wh9 h VAL 63 Cb 0.27 1.11 -0.04 0.00 -2.01 0.00 0.00 31.29 30.62 1wh9 h VAL 63 CO -0.00 0.21 0.23 0.58 -1.01 0.00 0.00 177.57 177.58 1wh9 h VAL 64 N 0.28 0.98 -1.00 1.51 2.07 -0.91 0.16 116.25 119.35 1wh9 h VAL 64 Ca 0.09 -0.16 0.14 0.00 0.82 0.00 0.00 66.70 67.60 1wh9 h VAL 64 Cb 0.25 0.49 -0.09 0.00 -1.52 0.00 0.00 31.29 30.42 1wh9 h VAL 64 CO -0.00 0.08 0.63 1.56 0.02 0.00 0.00 177.57 179.86 1wh9 h GLN 65 N 0.46 0.89 0.13 1.57 4.20 -0.49 -0.07 115.11 121.79 1wh9 h GLN 65 Ca 0.19 -0.05 -0.32 0.00 0.06 0.00 0.00 58.65 58.52 1wh9 h GLN 65 Cb 0.08 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1wh9 h GLN 65 CO -0.12 0.59 -1.62 0.87 -0.67 0.00 0.00 178.83 177.88 1wh9 h LYS 66 N 0.92 0.27 -0.41 1.46 1.57 -0.52 0.48 116.57 120.34 1wh9 h LYS 66 Ca 0.52 -0.46 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1wh9 h LYS 66 Cb 0.62 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 1wh9 h LYS 66 CO -0.30 1.13 0.22 -0.09 -0.57 0.00 0.00 179.45 179.85 1wh9 h ARG 67 N 0.07 0.58 -0.01 3.15 1.12 -0.34 -3.27 114.38 115.67 1wh9 h ARG 67 Ca -0.28 -0.07 0.00 0.00 -1.11 0.00 0.00 59.98 58.52 1wh9 h ARG 67 Cb 2.04 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 31.88 1wh9 h ARG 67 CO 0.16 0.47 -0.18 1.19 -3.11 0.00 0.00 179.97 178.49 1wh9 n PHE 68 N -4.72 0.00 -2.62 2.20 3.72 -0.07 -5.01 117.46 110.95 1wh9 n PHE 68 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.31 1wh9 n PHE 68 Cb 0.08 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.64 1wh9 n PHE 68 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wh9 n GLY 69 N 1.01 0.16 3.73 1.37 0.00 0.01 -5.00 105.19 106.48 1wh9 n GLY 69 Ca 0.07 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.84 3.64 0.36 1.61 0.08 -0.34 -5.02 117.98 115.46 1wh9 s PHE 70 Ca 0.14 1.62 -0.28 0.00 0.12 0.00 0.00 56.93 58.53 1wh9 s PHE 70 Cb -0.06 -3.22 -0.11 0.00 -0.57 0.00 0.00 43.02 39.06 1wh9 s PHE 70 CO 0.18 -0.42 1.50 -2.30 -0.10 0.00 0.00 175.22 174.08 1wh9 n PRO 71 N 2.96 2.64 -2.36 0.24 -0.02 -1.26 -4.86 135.00 132.34 1wh9 n PRO 71 Ca 0.04 0.93 -0.43 0.00 -2.02 0.00 0.00 63.50 62.02 1wh9 n PRO 71 Cb 0.48 -2.66 -0.02 0.00 -0.02 0.00 0.00 33.50 31.27 1wh9 n PRO 71 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1wh9 s GLU 72 N -1.75 3.64 0.00 -0.52 2.12 -1.26 -1.70 118.70 119.23 1wh9 s GLU 72 Ca 0.56 1.01 0.00 0.00 0.36 0.00 0.00 54.97 56.89 1wh9 s GLU 72 Cb -0.49 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 29.90 1wh9 s GLU 72 CO 0.61 -1.48 0.00 0.41 -0.54 0.00 0.00 175.26 174.25 1wh9 n GLY 73 N 4.93 0.42 0.64 -1.50 0.00 -1.26 -4.93 105.19 103.49 1wh9 n GLY 73 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.24 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 2.68 -4.39 1.61 7.64 -0.69 -4.95 113.62 115.52 1wh9 n SER 74 Ca 0.00 -1.83 -0.20 0.00 1.01 0.00 0.00 58.87 57.85 1wh9 n SER 74 Cb 0.00 -0.17 -0.10 0.00 -1.01 0.00 0.00 64.21 62.93 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 -1.01 1.58 0.06 0.44 0.11 -1.23 -0.99 120.40 119.36 1wh9 s VAL 75 Ca 0.22 -2.13 -0.09 0.00 -2.93 0.00 0.00 61.98 57.05 1wh9 s VAL 75 Cb 0.12 -2.33 0.00 0.00 -1.53 0.00 0.00 36.38 32.64 1wh9 s VAL 75 CO 0.17 -0.38 0.19 -1.61 -3.33 0.00 0.00 175.10 170.14 1wh9 s GLU 76 N -3.73 0.76 -0.05 1.54 0.41 -0.44 -4.89 118.70 112.31 1wh9 s GLU 76 Ca 0.28 -0.79 0.05 0.00 -0.41 0.00 0.00 54.97 54.09 1wh9 s GLU 76 Cb 0.03 0.31 -0.01 0.00 -1.78 0.00 0.00 34.13 32.68 1wh9 s GLU 76 CO 0.10 -0.23 -0.19 -0.51 -0.49 0.00 0.00 175.26 173.94 1wh9 s LEU 77 N -2.45 1.96 0.28 1.80 1.02 -1.26 -1.22 118.68 118.80 1wh9 s LEU 77 Ca -0.00 -0.39 0.06 0.00 0.02 0.00 0.00 54.13 53.81 1wh9 s LEU 77 Cb 0.02 -1.08 -0.06 0.00 0.02 0.00 0.00 46.19 45.09 1wh9 s LEU 77 CO -0.07 0.18 -0.05 -0.31 0.02 0.00 0.00 176.35 176.12 1wh9 s TYR 78 N -0.03 1.94 -0.22 0.29 2.02 0.86 -4.94 117.35 117.26 1wh9 s TYR 78 Ca -0.03 -0.73 0.00 0.00 -0.37 0.00 0.00 57.07 55.94 1wh9 s TYR 78 Cb -0.12 -1.12 0.06 0.00 -0.40 0.00 0.00 41.96 40.37 1wh9 s TYR 78 CO 0.02 0.25 -0.05 0.00 -1.57 0.00 0.00 175.55 174.20 1wh9 s ALA 79 N -3.05 1.82 0.18 3.71 0.00 -1.26 -2.18 121.76 120.97 1wh9 s ALA 79 Ca 0.30 -1.21 0.10 0.00 0.00 0.00 0.00 51.96 51.15 1wh9 s ALA 79 Cb 0.04 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1wh9 s ALA 79 CO 0.12 -1.10 -0.15 -2.00 0.00 0.00 0.00 175.76 172.63 1wh9 s GLU 80 N 1.47 1.85 -0.10 0.00 2.56 0.04 -4.96 118.70 119.56 1wh9 s GLU 80 Ca -0.04 -1.36 -0.01 0.00 0.00 0.00 0.00 54.97 53.56 1wh9 s GLU 80 Cb -0.18 -2.04 -0.03 0.00 2.00 0.00 0.00 34.13 33.88 1wh9 s GLU 80 CO -0.07 0.42 -0.07 0.21 -0.56 0.00 0.00 175.26 175.20 1wh9 s LYS 81 N -2.74 3.12 0.06 4.30 2.20 -1.26 -2.14 119.74 123.28 1wh9 s LYS 81 Ca 0.23 -0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 54.97 1wh9 s LYS 81 Cb -0.09 -2.69 -0.05 0.00 -1.51 0.00 0.00 37.83 33.49 1wh9 s LYS 81 CO 0.13 0.46 1.17 0.14 -0.36 0.00 0.00 175.35 176.89 1wh9 s VAL 82 N -0.27 4.11 -0.35 4.02 -7.23 -0.64 -4.91 120.40 115.13 1wh9 s VAL 82 Ca 0.04 1.53 -0.01 0.00 -1.81 0.00 0.00 61.98 61.73 1wh9 s VAL 82 Cb -0.13 -3.98 0.19 0.00 0.56 0.00 0.00 36.38 33.02 1wh9 s VAL 82 CO 0.03 0.13 0.82 0.00 -0.31 0.00 0.00 175.10 175.76 1wh9 s ALA 83 N 0.96 -3.29 0.43 1.32 0.00 -1.26 -4.81 121.76 115.11 1wh9 s ALA 83 Ca 0.57 0.83 -0.26 0.00 0.00 0.00 0.00 51.96 53.11 1wh9 s ALA 83 Cb -0.29 -2.82 -0.09 0.00 0.00 0.00 0.00 23.12 19.93 1wh9 s ALA 83 CO 0.29 -2.25 1.36 -0.08 0.00 0.00 0.00 175.76 175.09 1wh9 s THR 84 N 2.15 2.35 -0.28 0.00 -1.32 -1.26 -5.04 115.64 112.25 1wh9 s THR 84 Ca 0.16 0.32 -0.26 0.00 -1.21 0.00 0.00 61.69 60.70 1wh9 s THR 84 Cb -0.02 -3.19 0.16 0.00 -1.51 0.00 0.00 72.50 67.95 1wh9 s THR 84 CO -0.14 0.05 1.26 -0.60 -2.21 0.00 0.00 174.62 172.97 1wh9 s ARG 85 N -2.33 0.26 -0.33 7.08 3.52 -1.26 -5.16 118.95 120.73 1wh9 s ARG 85 Ca 0.59 0.23 0.01 0.00 -0.13 0.00 0.00 55.73 56.43 1wh9 s ARG 85 Cb -0.41 0.12 0.14 0.00 -1.56 0.00 0.00 34.95 33.25 1wh9 s ARG 85 CO 0.53 -0.05 0.31 0.20 -0.81 0.00 0.00 175.30 175.48 1wh9 s GLY 86 N -0.19 0.06 0.02 8.12 0.00 -1.26 -5.14 107.32 108.93 1wh9 s GLY 86 Ca 0.05 -0.81 -0.15 0.00 0.00 0.00 0.00 44.72 43.82 1wh9 s GLY 86 CO -0.10 2.58 0.33 -0.56 0.00 0.00 0.00 173.10 175.36 1wh9 s SER 87 N 1.83 -0.18 -0.31 1.64 0.01 -1.26 -5.11 113.70 110.31 1wh9 s SER 87 Ca 0.13 -0.04 0.04 0.00 1.31 0.00 0.00 55.95 57.39 1wh9 s SER 87 Cb -0.16 0.35 0.17 0.00 0.21 0.00 0.00 66.02 66.60 1wh9 s SER 87 CO -0.18 -0.56 0.47 -0.83 0.41 0.00 0.00 173.24 172.55 1wh9 s GLY 88 N -1.76 -0.73 0.90 3.44 0.00 -1.26 -5.16 107.32 102.74 1wh9 s GLY 88 Ca -0.08 0.25 -0.12 0.00 0.00 0.00 0.00 44.72 44.77 1wh9 s GLY 88 CO -0.00 3.21 1.12 2.56 0.00 0.00 0.00 173.10 179.99 1wh9 s PRO 89 N 2.40 1.22 0.03 2.90 0.04 -1.26 -5.11 135.00 135.21 1wh9 s PRO 89 Ca 0.11 0.46 -0.01 0.00 0.04 0.00 0.00 61.00 61.60 1wh9 s PRO 89 Cb -0.11 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 1wh9 s PRO 89 CO -0.24 -2.18 -0.01 -1.12 0.04 0.00 0.00 177.00 173.49 1wh9 s SER 90 N -3.84 0.28 0.00 6.66 0.01 -1.26 -4.83 113.70 110.73 1wh9 s SER 90 Ca 0.63 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1wh9 s SER 90 Cb -0.16 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.21 1wh9 s SER 90 CO 0.55 -0.39 0.00 -1.20 0.41 0.00 0.00 173.24 172.61 1wh9 n SER 91 N 1.20 0.00 0.00 2.44 7.64 -1.26 -5.37 113.62 118.27 1wh9 n SER 91 Ca -0.21 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.67 1wh9 n SER 91 Cb 0.57 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1wh9 n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64