#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4w s VAL 4 N 0.00 4.55 0.25 0.00 1.01 -1.26 -4.98 120.40 119.98 1d4w s VAL 4 Ca 0.00 0.27 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 1d4w s VAL 4 Cb 0.00 -4.42 0.24 0.00 0.00 0.00 0.00 36.38 32.20 1d4w s VAL 4 CO 0.00 -0.91 1.86 0.00 0.00 0.00 0.00 175.10 176.05 1d4w h ALA 5 N 9.14 1.29 -0.29 5.51 0.00 -2.03 -0.96 119.26 131.93 1d4w h ALA 5 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1d4w h ALA 5 Cb 1.08 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1d4w h ALA 5 CO 1.02 0.33 0.00 1.33 0.00 0.00 0.00 179.25 181.94 1d4w n VAL 6 N -4.58 0.38 -2.63 0.00 0.24 -1.26 -4.29 118.33 106.20 1d4w n VAL 6 Ca 0.14 -0.38 -0.43 0.00 -2.04 0.00 0.00 64.34 61.63 1d4w n VAL 6 Cb 0.19 0.19 -0.02 0.00 -1.47 0.00 0.00 33.84 32.73 1d4w n VAL 6 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1d4w s TYR 7 N -1.62 3.30 -2.66 6.34 5.04 -0.37 -0.79 117.35 126.59 1d4w s TYR 7 Ca 0.19 1.42 0.23 0.00 -2.44 0.00 0.00 57.07 56.47 1d4w s TYR 7 Cb 0.10 -3.29 0.27 0.00 0.35 0.00 0.00 41.96 39.39 1d4w s TYR 7 CO 0.13 -0.62 1.28 0.72 -1.34 0.00 0.00 175.55 175.72 1d4w n HIS 8 N 6.09 0.19 -4.28 4.97 8.25 -0.07 -4.74 115.22 125.63 1d4w n HIS 8 Ca 0.12 -0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1d4w n HIS 8 Cb 0.46 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1d4w n HIS 8 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1d4w n GLY 9 N 1.35 0.31 1.96 -1.41 0.00 -1.26 -4.08 105.19 102.05 1d4w n GLY 9 Ca 0.15 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 45.12 1d4w n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d4w n LYS 10 N 3.55 1.79 -1.54 1.61 5.02 -1.26 -2.05 118.16 125.28 1d4w n LYS 10 Ca 0.00 -1.22 -0.31 0.00 -2.02 0.00 0.00 58.31 54.76 1d4w n LYS 10 Cb 0.00 -1.68 0.06 0.00 -0.02 0.00 0.00 35.03 33.39 1d4w n LYS 10 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1d4w s ILE 11 N -0.91 3.73 0.88 -0.18 -4.36 -1.26 -4.99 121.20 114.11 1d4w s ILE 11 Ca 0.39 0.61 -0.12 0.00 -0.26 0.00 0.00 60.65 61.26 1d4w s ILE 11 Cb 0.23 -3.22 0.12 0.00 1.25 0.00 0.00 42.46 40.84 1d4w s ILE 11 CO -0.05 -0.69 1.12 -0.94 0.24 0.00 0.00 174.94 174.62 1d4w s SER 12 N -3.46 3.82 0.12 4.36 1.04 -1.26 -4.72 113.70 113.59 1d4w s SER 12 Ca 0.60 1.07 -0.21 0.00 0.48 0.00 0.00 55.95 57.89 1d4w s SER 12 Cb -0.16 -1.69 -0.06 0.00 0.10 0.00 0.00 66.02 64.21 1d4w s SER 12 CO 0.52 -2.37 1.71 -0.09 0.98 0.00 0.00 173.24 173.99 1d4w h ARG 13 N -1.37 -0.04 -0.49 4.02 2.43 -1.95 -1.49 114.38 115.49 1d4w h ARG 13 Ca -0.49 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.70 1d4w h ARG 13 Cb 1.31 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.84 1d4w h ARG 13 CO 0.61 -0.02 0.29 0.93 -1.51 0.00 0.00 179.97 180.26 1d4w h GLU 14 N -0.04 0.56 -0.09 0.20 3.07 -1.99 0.18 114.58 116.47 1d4w h GLU 14 Ca 0.07 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.80 1d4w h GLU 14 Cb 0.14 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1d4w h GLU 14 CO -0.15 0.37 -0.38 1.79 -1.40 0.00 0.00 179.01 179.23 1d4w h THR 15 N 0.57 1.30 -0.74 1.13 1.35 -1.90 -0.09 112.91 114.53 1d4w h THR 15 Ca 0.20 -1.43 0.02 0.00 -0.55 0.00 0.00 66.41 64.65 1d4w h THR 15 Cb 0.03 1.66 -0.04 0.00 -1.73 0.00 0.00 68.15 68.07 1d4w h THR 15 CO -0.09 0.42 0.48 1.23 -0.25 0.00 0.00 175.52 177.31 1d4w h GLY 16 N 1.18 1.06 0.91 5.82 0.00 -0.62 -1.64 103.07 109.78 1d4w h GLY 16 Ca 0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1d4w h GLY 16 CO 0.06 0.34 0.10 0.83 0.00 0.00 0.00 176.54 177.87 1d4w h GLU 17 N 0.96 0.48 -0.44 4.80 5.08 -0.48 -2.62 114.58 122.36 1d4w h GLU 17 Ca 0.28 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1d4w h GLU 17 Cb -0.05 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1d4w h GLU 17 CO -0.08 0.52 0.03 0.87 -1.00 0.00 0.00 179.01 179.34 1d4w h LYS 18 N 0.35 0.70 -0.57 2.33 1.57 -0.73 0.11 116.57 120.33 1d4w h LYS 18 Ca 0.10 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1d4w h LYS 18 Cb 0.23 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1d4w h LYS 18 CO -0.00 0.69 0.01 -0.07 -0.57 0.00 0.00 179.45 179.51 1d4w h LEU 19 N 0.66 0.94 0.04 2.94 3.38 -1.13 -2.04 115.31 120.10 1d4w h LEU 19 Ca 0.14 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1d4w h LEU 19 Cb 0.37 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.88 1d4w h LEU 19 CO 0.01 0.99 -0.28 -0.07 0.09 0.00 0.00 178.44 179.18 1d4w h LEU 20 N 0.89 0.18 -2.03 1.67 3.38 -1.12 -3.27 115.31 115.02 1d4w h LEU 20 Ca 0.17 -0.94 0.12 0.00 0.09 0.00 0.00 57.88 57.32 1d4w h LEU 20 Cb 0.51 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1d4w h LEU 20 CO 0.02 1.10 0.31 -0.07 0.09 0.00 0.00 178.44 179.90 1d4w h LEU 21 N -0.72 0.00 -1.70 1.67 3.38 -0.80 -1.01 115.31 116.14 1d4w h LEU 21 Ca -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1d4w h LEU 21 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1d4w h LEU 21 CO 0.05 0.00 -0.14 0.00 0.09 0.00 0.00 178.44 178.44 1d4w h ALA 22 N 1.75 1.18 0.00 1.53 0.00 -1.41 -1.80 119.26 120.51 1d4w h ALA 22 Ca 0.19 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1d4w h ALA 22 Cb 0.82 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1d4w h ALA 22 CO -0.00 0.18 -0.49 1.79 0.00 0.00 0.00 179.25 180.73 1d4w h THR 23 N 0.00 0.92 -0.25 0.00 1.35 -1.32 -3.47 112.91 110.13 1d4w h THR 23 Ca -0.00 -2.04 -0.11 0.00 -0.55 0.00 0.00 66.41 63.71 1d4w h THR 23 Cb 0.45 2.27 -0.04 0.00 -1.73 0.00 0.00 68.15 69.10 1d4w h THR 23 CO 0.02 0.48 -0.10 0.61 -0.25 0.00 0.00 175.52 176.28 1d4w n GLY 24 N 0.88 0.68 3.16 5.82 0.00 -0.68 -4.99 105.19 110.06 1d4w n GLY 24 Ca 0.01 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 1d4w n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1d4w s LEU 25 N -1.21 2.24 0.26 0.99 0.20 -1.26 -5.08 118.68 114.82 1d4w s LEU 25 Ca 0.00 -0.60 -0.30 0.00 0.69 0.00 0.00 54.13 53.91 1d4w s LEU 25 Cb 0.00 -1.51 -0.11 0.00 -0.43 0.00 0.00 46.19 44.14 1d4w s LEU 25 CO 0.00 0.01 1.59 -1.81 -0.29 0.00 0.00 176.35 175.85 1d4w s ASP 26 N 1.22 6.44 0.00 3.68 -0.00 -1.26 -2.34 116.67 124.40 1d4w s ASP 26 Ca 0.03 2.86 0.00 0.00 -0.00 0.00 0.00 52.55 55.44 1d4w s ASP 26 Cb -0.14 -2.62 0.00 0.00 -0.00 0.00 0.00 42.92 40.16 1d4w s ASP 26 CO -0.09 -0.88 0.00 0.61 -0.00 0.00 0.00 175.17 174.80 1d4w n GLY 27 N 2.58 0.44 3.77 0.21 0.00 0.21 -4.92 105.19 107.48 1d4w n GLY 27 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1d4w n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d4w s SER 28 N -2.01 6.62 0.08 1.61 0.01 -0.99 -0.86 113.70 118.16 1d4w s SER 28 Ca 0.00 2.80 -0.17 0.00 1.31 0.00 0.00 55.95 59.90 1d4w s SER 28 Cb 0.00 -2.65 0.03 0.00 0.21 0.00 0.00 66.02 63.61 1d4w s SER 28 CO 0.00 -0.66 0.39 -0.72 0.41 0.00 0.00 173.24 172.66 1d4w s TYR 29 N -0.97 -0.21 0.29 2.43 -0.85 0.02 -1.38 117.35 116.68 1d4w s TYR 29 Ca 0.52 0.02 -0.09 0.00 -0.52 0.00 0.00 57.07 56.99 1d4w s TYR 29 Cb -0.42 0.22 0.00 0.00 0.38 0.00 0.00 41.96 42.14 1d4w s TYR 29 CO 0.55 -0.63 0.48 -0.48 -1.52 0.00 0.00 175.55 173.95 1d4w s LEU 30 N -2.43 0.56 -0.06 -3.49 0.05 -0.61 -0.72 118.68 111.98 1d4w s LEU 30 Ca -0.01 -1.15 0.04 0.00 0.05 0.00 0.00 54.13 53.06 1d4w s LEU 30 Cb 0.01 1.68 0.00 0.00 -2.05 0.00 0.00 46.19 45.83 1d4w s LEU 30 CO -0.07 -1.22 -0.18 -0.22 -0.55 0.00 0.00 176.35 174.10 1d4w s LEU 31 N -3.10 1.90 0.20 1.48 2.96 0.03 -0.70 118.68 121.45 1d4w s LEU 31 Ca 0.25 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 1d4w s LEU 31 Cb -0.01 -1.08 -0.05 0.00 0.50 0.00 0.00 46.19 45.56 1d4w s LEU 31 CO 0.13 0.13 0.02 0.00 -1.32 0.00 0.00 176.35 175.31 1d4w s ARG 32 N 0.24 1.21 0.56 1.98 1.70 -0.63 -0.89 118.95 123.12 1d4w s ARG 32 Ca -0.10 -1.60 -0.21 0.00 -0.47 0.00 0.00 55.73 53.34 1d4w s ARG 32 Cb -0.14 -0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 33.85 1d4w s ARG 32 CO 0.04 -0.15 1.35 -0.51 -1.08 0.00 0.00 175.30 174.95 1d4w s ASP 33 N -3.23 5.19 0.51 -2.89 -0.00 -0.87 0.47 116.67 115.85 1d4w s ASP 33 Ca 0.27 2.75 -0.23 0.00 -0.00 0.00 0.00 52.55 55.35 1d4w s ASP 33 Cb 0.06 -2.63 -0.06 0.00 -0.00 0.00 0.00 42.92 40.29 1d4w s ASP 33 CO 0.07 -1.62 1.36 -0.55 -0.00 0.00 0.00 175.17 174.42 1d4w s SER 34 N -1.00 5.55 0.15 0.27 0.15 0.71 -4.58 113.70 114.94 1d4w s SER 34 Ca 0.73 2.76 0.20 0.00 0.70 0.00 0.00 55.95 60.34 1d4w s SER 34 Cb -0.40 -2.64 -0.06 0.00 -1.71 0.00 0.00 66.02 61.21 1d4w s SER 34 CO 0.47 -1.38 0.95 -0.62 1.20 0.00 0.00 173.24 173.86 1d4w n GLU 35 N -0.71 0.61 -0.06 5.44 1.02 -1.26 -4.55 120.64 121.12 1d4w n GLU 35 Ca 0.08 0.16 -0.02 0.00 -0.02 0.00 0.00 57.16 57.36 1d4w n GLU 35 Cb 0.44 -1.82 -0.16 0.00 -0.02 0.00 0.00 31.44 29.89 1d4w n GLU 35 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1d4w n SER 36 N -2.75 0.15 -3.92 1.62 3.41 -1.26 -4.91 113.62 105.96 1d4w n SER 36 Ca -0.04 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.30 1d4w n SER 36 Cb 0.66 1.36 -0.17 0.00 -0.26 0.00 0.00 64.21 65.80 1d4w n SER 36 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1d4w s VAL 37 N -2.85 1.07 0.30 -3.33 1.01 -1.26 -5.12 120.40 110.22 1d4w s VAL 37 Ca -0.09 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1d4w s VAL 37 Cb 0.09 -1.08 -0.10 0.00 0.00 0.00 0.00 36.38 35.29 1d4w s VAL 37 CO 0.83 0.38 1.20 -2.84 0.00 0.00 0.00 175.10 174.67 1d4w s PRO 38 N 1.68 4.50 0.00 2.72 0.02 -1.26 -2.60 135.00 140.06 1d4w s PRO 38 Ca 0.05 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.08 1d4w s PRO 38 Cb -0.13 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1d4w s PRO 38 CO -0.08 0.01 0.00 0.41 -0.33 0.00 0.00 177.00 177.00 1d4w n GLY 39 N 1.04 0.55 3.61 0.52 0.00 -1.26 -5.02 105.19 104.63 1d4w n GLY 39 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1d4w n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d4w s VAL 40 N -2.35 3.56 0.12 1.61 1.01 -1.07 -4.58 120.40 118.70 1d4w s VAL 40 Ca 0.00 -1.15 0.09 0.00 0.00 0.00 0.00 61.98 60.92 1d4w s VAL 40 Cb 0.00 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1d4w s VAL 40 CO 0.00 0.14 -0.18 -0.31 0.00 0.00 0.00 175.10 174.75 1d4w s TYR 41 N -1.22 2.54 -0.20 5.22 1.51 -0.13 -0.21 117.35 124.86 1d4w s TYR 41 Ca 0.22 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 56.02 1d4w s TYR 41 Cb -0.11 -1.34 0.02 0.00 -0.11 0.00 0.00 41.96 40.41 1d4w s TYR 41 CO 0.14 0.39 -0.16 0.00 -1.11 0.00 0.00 175.55 174.82 1d4w s LEU 43 N 1.31 4.21 -0.20 0.00 2.96 0.18 -1.61 118.68 125.53 1d4w s LEU 43 Ca 0.04 0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 54.14 1d4w s LEU 43 Cb -0.14 -2.87 -0.02 0.00 0.50 0.00 0.00 46.19 43.66 1d4w s LEU 43 CO -0.10 -0.64 -0.03 0.00 -1.32 0.00 0.00 176.35 174.26 1d4w s VAL 45 N 1.08 1.39 -0.10 0.00 1.01 0.36 -1.57 120.40 122.56 1d4w s VAL 45 Ca 0.02 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.08 1d4w s VAL 45 Cb -0.15 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 1d4w s VAL 45 CO 0.01 0.41 0.92 -0.22 0.00 0.00 0.00 175.10 176.22 1d4w s LEU 46 N 0.47 4.25 -0.17 3.92 2.96 -0.48 -0.02 118.68 129.60 1d4w s LEU 46 Ca -0.13 1.42 -0.10 0.00 -0.22 0.00 0.00 54.13 55.10 1d4w s LEU 46 Cb -0.15 -3.42 0.06 0.00 0.50 0.00 0.00 46.19 43.17 1d4w s LEU 46 CO 0.05 -0.38 0.42 -0.47 -1.32 0.00 0.00 176.35 174.65 1d4w s TYR 47 N 1.79 -0.63 -1.38 5.38 5.04 -0.58 -0.62 117.35 126.36 1d4w s TYR 47 Ca 0.45 1.33 -0.08 0.00 -2.44 0.00 0.00 57.07 56.33 1d4w s TYR 47 Cb -0.18 0.28 0.01 0.00 0.35 0.00 0.00 41.96 42.42 1d4w s TYR 47 CO 0.18 -0.35 0.39 0.72 -1.34 0.00 0.00 175.55 175.14 1d4w n HIS 48 N 4.28 -1.53 -0.62 4.97 8.25 -1.26 -1.54 115.22 127.76 1d4w n HIS 48 Ca -0.23 0.57 0.00 0.00 -0.26 0.00 0.00 57.72 57.80 1d4w n HIS 48 Cb 0.55 -3.29 0.00 0.00 1.12 0.00 0.00 29.99 28.37 1d4w n HIS 48 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1d4w n GLY 49 N -2.14 0.89 3.59 -1.41 0.00 -1.26 -4.99 105.19 99.88 1d4w n GLY 49 Ca -0.26 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 1d4w n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1d4w s TYR 50 N -2.71 2.59 -0.48 1.61 4.12 -0.59 -5.08 117.35 116.81 1d4w s TYR 50 Ca 0.00 -0.25 -0.11 0.00 0.02 0.00 0.00 57.07 56.73 1d4w s TYR 50 Cb 0.00 -1.16 0.12 0.00 -1.52 0.00 0.00 41.96 39.40 1d4w s TYR 50 CO 0.00 0.63 0.38 0.42 0.02 0.00 0.00 175.55 177.00 1d4w s ILE 51 N -2.28 4.46 -0.07 2.71 1.09 -1.26 -1.53 121.20 124.32 1d4w s ILE 51 Ca 0.30 -1.69 -0.30 0.00 -1.10 0.00 0.00 60.65 57.87 1d4w s ILE 51 Cb -0.06 -3.90 -0.03 0.00 -1.06 0.00 0.00 42.46 37.41 1d4w s ILE 51 CO 0.18 -0.78 1.21 -0.31 -0.10 0.00 0.00 174.94 175.14 1d4w s TYR 52 N 1.42 3.15 -0.13 3.97 1.51 0.96 -4.79 117.35 123.45 1d4w s TYR 52 Ca 0.05 1.19 0.02 0.00 -1.01 0.00 0.00 57.07 57.32 1d4w s TYR 52 Cb -0.27 -3.43 0.01 0.00 -0.11 0.00 0.00 41.96 38.16 1d4w s TYR 52 CO 0.00 -1.36 -0.18 0.99 -1.11 0.00 0.00 175.55 173.89 1d4w s THR 53 N 2.36 1.75 -0.21 -0.71 2.01 -1.26 -0.49 115.64 119.09 1d4w s THR 53 Ca 0.56 -0.79 -0.04 0.00 0.31 0.00 0.00 61.69 61.73 1d4w s THR 53 Cb -0.24 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 1d4w s THR 53 CO 0.21 0.49 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.27 1d4w s TYR 54 N 0.98 2.95 0.07 4.92 1.51 0.84 -4.93 117.35 123.70 1d4w s TYR 54 Ca -0.05 -0.91 -0.31 0.00 -1.01 0.00 0.00 57.07 54.80 1d4w s TYR 54 Cb -0.15 -2.09 -0.06 0.00 -0.11 0.00 0.00 41.96 39.55 1d4w s TYR 54 CO -0.03 -0.52 1.24 1.03 -1.11 0.00 0.00 175.55 176.16 1d4w s ARG 55 N 1.38 4.41 -0.18 -0.62 0.52 -1.26 -0.64 118.95 122.56 1d4w s ARG 55 Ca 0.05 1.84 0.00 0.00 -0.52 0.00 0.00 55.73 57.10 1d4w s ARG 55 Cb -0.14 -3.32 0.01 0.00 0.52 0.00 0.00 34.95 32.01 1d4w s ARG 55 CO -0.03 -0.30 -0.17 0.08 0.02 0.00 0.00 175.30 174.91 1d4w s VAL 56 N 1.06 2.38 0.17 3.52 1.01 0.16 -0.05 120.40 128.65 1d4w s VAL 56 Ca 0.60 -0.84 0.09 0.00 0.00 0.00 0.00 61.98 61.82 1d4w s VAL 56 Cb -0.31 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1d4w s VAL 56 CO 0.29 0.52 -0.19 -0.44 0.00 0.00 0.00 175.10 175.29 1d4w s SER 57 N 1.19 2.77 -0.03 3.32 0.01 -0.75 -0.96 113.70 119.25 1d4w s SER 57 Ca 0.02 -0.87 -0.13 0.00 1.31 0.00 0.00 55.95 56.27 1d4w s SER 57 Cb -0.14 -0.17 -0.05 0.00 0.21 0.00 0.00 66.02 65.87 1d4w s SER 57 CO -0.08 -0.03 0.35 -1.58 0.41 0.00 0.00 173.24 172.32 1d4w s GLN 58 N -2.84 3.85 0.64 12.44 0.74 -1.26 -1.61 119.66 131.62 1d4w s GLN 58 Ca 0.17 0.30 0.01 0.00 0.05 0.00 0.00 55.36 55.89 1d4w s GLN 58 Cb -0.06 -3.23 0.09 0.00 1.10 0.00 0.00 33.01 30.92 1d4w s GLN 58 CO 0.07 0.68 0.89 0.95 -0.55 0.00 0.00 175.29 177.33 1d4w s THR 59 N -0.97 2.32 -0.12 -0.34 -4.23 0.12 -4.97 115.64 107.46 1d4w s THR 59 Ca 0.22 -0.67 0.23 0.00 -1.18 0.00 0.00 61.69 60.29 1d4w s THR 59 Cb -0.16 -2.66 0.23 0.00 1.34 0.00 0.00 72.50 71.26 1d4w s THR 59 CO 0.11 0.00 1.72 1.05 -0.54 0.00 0.00 174.62 176.96 1d4w h GLU 60 N -0.23 0.00 -0.32 3.99 4.11 -2.00 -0.94 114.58 119.19 1d4w h GLU 60 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.05 1d4w h GLU 60 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1d4w h GLU 60 CO 0.44 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.77 1d4w n THR 61 N -2.32 0.41 -0.31 -1.06 -2.24 -1.26 -4.93 114.28 102.56 1d4w n THR 61 Ca -0.02 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1d4w n THR 61 Cb 0.04 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 1d4w n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d4w n GLY 62 N 1.46 1.34 3.76 3.38 0.00 -0.36 -5.06 105.19 109.72 1d4w n GLY 62 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1d4w n GLY 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1d4w s SER 63 N -3.12 3.63 0.08 1.61 1.04 -1.26 -4.74 113.70 110.94 1d4w s SER 63 Ca 0.00 1.17 0.07 0.00 0.48 0.00 0.00 55.95 57.67 1d4w s SER 63 Cb 0.00 -1.82 -0.03 0.00 0.10 0.00 0.00 66.02 64.27 1d4w s SER 63 CO 0.00 -2.50 -0.19 0.26 0.98 0.00 0.00 173.24 171.79 1d4w s TRP 64 N -3.15 1.65 0.08 5.02 0.52 0.13 -0.70 118.94 122.49 1d4w s TRP 64 Ca 0.63 -0.41 -0.13 0.00 0.02 0.00 0.00 56.10 56.21 1d4w s TRP 64 Cb -0.16 -0.93 0.02 0.00 -1.15 0.00 0.00 33.47 31.25 1d4w s TRP 64 CO 0.55 0.14 0.30 -1.54 0.02 0.00 0.00 176.95 176.41 1d4w s SER 65 N -1.64 -0.08 0.16 2.95 1.04 -0.63 -0.23 113.70 115.27 1d4w s SER 65 Ca 0.05 -0.35 -0.06 0.00 0.48 0.00 0.00 55.95 56.07 1d4w s SER 65 Cb -0.10 0.38 -0.06 0.00 0.10 0.00 0.00 66.02 66.35 1d4w s SER 65 CO 0.03 -0.71 0.42 0.00 0.98 0.00 0.00 173.24 173.97 1d4w s ALA 66 N -3.23 3.73 0.01 5.32 0.00 -1.26 -1.81 121.76 124.52 1d4w s ALA 66 Ca -0.00 -0.48 -0.38 0.00 0.00 0.00 0.00 51.96 51.10 1d4w s ALA 66 Cb 0.01 -2.21 -0.17 0.00 0.00 0.00 0.00 23.12 20.76 1d4w s ALA 66 CO -0.08 0.63 1.41 -1.91 0.00 0.00 0.00 175.76 175.81 1d4w n GLU 67 N 0.04 1.10 -4.67 0.00 2.13 0.92 -4.90 120.64 115.26 1d4w n GLU 67 Ca -0.02 0.40 -0.26 0.00 0.66 0.00 0.00 57.16 57.94 1d4w n GLU 67 Cb 0.52 -2.04 -0.14 0.00 0.27 0.00 0.00 31.44 30.05 1d4w n GLU 67 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1d4w s THR 68 N 1.08 1.72 0.39 6.31 2.01 -1.26 -4.90 115.64 120.99 1d4w s THR 68 Ca 0.88 -1.22 -0.26 0.00 0.31 0.00 0.00 61.69 61.39 1d4w s THR 68 Cb -0.99 -1.49 -0.09 0.00 0.01 0.00 0.00 72.50 69.94 1d4w s THR 68 CO 0.51 0.22 1.28 0.00 -0.69 0.00 0.00 174.62 175.94 1d4w s ALA 69 N -0.80 3.28 0.20 7.40 0.00 -1.26 -4.93 121.76 125.65 1d4w s ALA 69 Ca 0.08 1.19 -0.32 0.00 0.00 0.00 0.00 51.96 52.90 1d4w s ALA 69 Cb -0.09 -3.46 -0.14 0.00 0.00 0.00 0.00 23.12 19.42 1d4w s ALA 69 CO 0.02 -0.73 1.33 -2.30 0.00 0.00 0.00 175.76 174.08 1d4w n PRO 70 N 0.25 1.71 0.00 0.00 -0.02 -1.26 -1.72 135.00 133.96 1d4w n PRO 70 Ca 0.03 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1d4w n PRO 70 Cb 0.44 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1d4w n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d4w n GLY 71 N 2.21 1.41 3.89 -1.23 0.00 -1.26 -5.04 105.19 105.17 1d4w n GLY 71 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1d4w n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d4w s VAL 72 N -2.40 5.42 -0.12 1.61 1.01 -0.70 -5.03 120.40 120.19 1d4w s VAL 72 Ca 0.00 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 1d4w s VAL 72 Cb 0.00 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1d4w s VAL 72 CO 0.00 0.48 1.83 -2.28 0.00 0.00 0.00 175.10 175.13 1d4w s HIS 73 N -1.18 1.68 0.21 5.22 5.65 -1.26 -4.83 115.29 120.78 1d4w s HIS 73 Ca 0.22 0.22 -0.30 0.00 0.25 0.00 0.00 55.06 55.45 1d4w s HIS 73 Cb -0.13 -4.03 -0.08 0.00 -1.18 0.00 0.00 32.58 27.16 1d4w s HIS 73 CO 0.11 -4.02 1.02 0.21 -0.65 0.00 0.00 174.74 171.41 1d4w s LYS 74 N 4.84 4.72 -0.16 2.88 2.20 -1.26 -5.04 119.74 127.92 1d4w s LYS 74 Ca 0.82 1.60 -0.03 0.00 -0.36 0.00 0.00 55.97 58.00 1d4w s LYS 74 Cb -0.33 -3.28 -0.02 0.00 -1.51 0.00 0.00 37.83 32.69 1d4w s LYS 74 CO 0.34 0.29 -0.06 1.03 -0.36 0.00 0.00 175.35 176.58 1d4w s ARG 75 N -0.81 3.55 -0.08 4.03 0.52 -1.26 -5.09 118.95 119.81 1d4w s ARG 75 Ca 0.45 -0.58 0.00 0.00 -0.52 0.00 0.00 55.73 55.08 1d4w s ARG 75 Cb -0.28 -2.84 -0.03 0.00 0.52 0.00 0.00 34.95 32.32 1d4w s ARG 75 CO 0.34 0.18 -0.08 0.71 0.02 0.00 0.00 175.30 176.48 1d4w s TYR 76 N 0.49 2.92 -0.00 -0.53 2.02 -1.26 -4.40 117.35 116.59 1d4w s TYR 76 Ca -0.05 -0.10 0.08 0.00 -0.37 0.00 0.00 57.07 56.63 1d4w s TYR 76 Cb -0.15 -1.75 -0.02 0.00 -0.40 0.00 0.00 41.96 39.64 1d4w s TYR 76 CO 0.03 0.21 -0.24 -0.06 -1.57 0.00 0.00 175.55 173.92 1d4w s PHE 77 N -0.52 2.39 0.26 2.71 0.40 0.69 -4.90 117.98 119.00 1d4w s PHE 77 Ca 0.08 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 55.98 1d4w s PHE 77 Cb -0.12 -1.48 0.32 0.00 0.51 0.00 0.00 43.02 42.25 1d4w s PHE 77 CO 0.02 0.05 1.84 0.07 0.70 0.00 0.00 175.22 177.90 1d4w h ARG 78 N 5.20 1.03 -4.76 0.44 -0.00 -1.91 0.41 114.38 114.79 1d4w h ARG 78 Ca -0.45 -0.17 -0.29 0.00 -0.00 0.00 0.00 59.98 59.07 1d4w h ARG 78 Cb 1.13 -0.18 -0.20 0.00 -0.00 0.00 0.00 29.97 30.73 1d4w h ARG 78 CO 0.46 0.83 -0.73 -1.59 -0.00 0.00 0.00 179.97 178.94 1d4w s LYS 79 N -5.50 0.67 0.50 0.08 0.00 -1.26 -4.50 119.74 109.73 1d4w s LYS 79 Ca -0.11 -0.94 0.22 0.00 0.00 0.00 0.00 55.97 55.13 1d4w s LYS 79 Cb 0.16 -0.40 1.29 0.00 0.00 0.00 0.00 37.83 38.88 1d4w s LYS 79 CO 0.81 0.06 2.06 0.97 0.00 0.00 0.00 175.35 179.26 1d4w h ILE 80 N 4.08 0.82 -0.03 3.79 2.10 -1.94 0.13 117.51 126.46 1d4w h ILE 80 Ca -0.37 -0.50 -0.04 0.00 1.08 0.00 0.00 64.86 65.04 1d4w h ILE 80 Cb 1.19 1.29 -0.01 0.00 -1.09 0.00 0.00 36.82 38.21 1d4w h ILE 80 CO 0.46 0.13 -0.15 0.11 -1.08 0.00 0.00 178.15 177.62 1d4w h LYS 81 N 0.00 0.05 0.00 2.19 1.57 -1.98 0.32 116.57 118.72 1d4w h LYS 81 Ca -0.00 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.57 1d4w h LYS 81 Cb 0.28 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1d4w h LYS 81 CO 0.02 0.20 -0.87 -0.91 -0.57 0.00 0.00 179.45 177.32 1d4w h ASN 82 N 0.05 0.24 -0.39 0.86 2.35 -1.16 -1.39 115.58 116.13 1d4w h ASN 82 Ca 0.01 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 1d4w h ASN 82 Cb 0.30 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1d4w h ASN 82 CO 0.02 1.00 0.22 0.25 -1.65 0.00 0.00 177.43 177.27 1d4w h LEU 83 N 0.10 0.48 -0.80 1.61 6.46 -1.08 -0.39 115.31 121.70 1d4w h LEU 83 Ca -0.04 -0.08 -0.09 0.00 -0.12 0.00 0.00 57.88 57.55 1d4w h LEU 83 Cb 1.50 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 41.29 1d4w h LEU 83 CO 0.13 0.43 -0.03 0.40 -0.62 0.00 0.00 178.44 178.75 1d4w h ILE 84 N 0.50 1.25 -0.16 4.05 2.04 -0.82 -2.49 117.51 121.88 1d4w h ILE 84 Ca 0.14 -1.10 -0.14 0.00 1.00 0.00 0.00 64.86 64.76 1d4w h ILE 84 Cb 0.04 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1d4w h ILE 84 CO -0.02 0.39 -0.48 0.28 0.00 0.00 0.00 178.15 178.32 1d4w h SER 85 N 0.81 0.46 -0.65 1.72 0.02 -1.02 -2.77 113.55 112.12 1d4w h SER 85 Ca 0.15 -0.22 0.08 0.00 -0.84 0.00 0.00 61.79 60.95 1d4w h SER 85 Cb 0.53 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 1d4w h SER 85 CO 0.03 0.87 0.32 0.00 -1.14 0.00 0.00 176.83 176.91 1d4w h ALA 86 N 1.15 0.87 -0.09 3.77 0.00 -0.71 -2.20 119.26 122.06 1d4w h ALA 86 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1d4w h ALA 86 Cb 0.96 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1d4w h ALA 86 CO 0.08 -0.05 0.00 1.19 0.00 0.00 0.00 179.25 180.47 1d4w n PHE 87 N -4.87 0.11 0.87 0.00 3.01 -0.97 -2.31 117.46 113.31 1d4w n PHE 87 Ca 0.09 -0.06 0.13 0.00 1.01 0.00 0.00 57.45 58.62 1d4w n PHE 87 Cb 0.22 0.00 0.45 0.00 -0.01 0.00 0.00 39.48 40.15 1d4w n PHE 87 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1d4w n GLN 88 N -0.23 0.09 -2.31 -1.08 6.02 -0.83 -1.57 117.38 117.48 1d4w n GLN 88 Ca 0.14 0.06 -0.29 0.00 -0.01 0.00 0.00 57.00 56.90 1d4w n GLN 88 Cb 0.18 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 29.85 1d4w n GLN 88 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1d4w s LYS 89 N -3.04 3.58 0.57 -1.09 1.02 -0.98 -4.64 119.74 115.16 1d4w s LYS 89 Ca 0.12 0.46 -0.18 0.00 0.02 0.00 0.00 55.97 56.39 1d4w s LYS 89 Cb 0.17 -2.24 -0.05 0.00 -0.52 0.00 0.00 37.83 35.18 1d4w s LYS 89 CO 0.60 -0.36 1.11 -2.14 -0.92 0.00 0.00 175.35 173.63 1d4w s PRO 90 N -4.89 3.29 -1.22 -1.68 0.02 -1.26 -4.30 135.00 124.95 1d4w s PRO 90 Ca 0.51 1.50 -0.06 0.00 0.02 0.00 0.00 61.00 62.96 1d4w s PRO 90 Cb -0.11 -2.01 -0.01 0.00 0.02 0.00 0.00 34.50 32.39 1d4w s PRO 90 CO 0.48 -0.88 0.76 -3.47 -0.33 0.00 0.00 177.00 173.56 1d4w n ASP 91 N -1.57 -3.12 -0.44 2.53 4.64 -1.26 -4.92 116.55 112.43 1d4w n ASP 91 Ca 0.11 -0.85 0.04 0.00 -1.38 0.00 0.00 54.79 52.70 1d4w n ASP 91 Cb 0.52 -4.07 0.09 0.00 -1.04 0.00 0.00 41.12 36.62 1d4w n ASP 91 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1d4w n GLN 92 N -4.08 2.30 -0.15 -0.67 1.13 -1.26 -4.99 117.38 109.67 1d4w n GLN 92 Ca -0.21 -1.70 0.00 0.00 -1.94 0.00 0.00 57.00 53.15 1d4w n GLN 92 Cb 0.65 -1.19 0.00 0.00 0.11 0.00 0.00 30.24 29.81 1d4w n GLN 92 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1d4w n GLY 93 N 0.29 0.92 3.79 1.08 0.00 -1.26 -5.04 105.19 104.96 1d4w n GLY 93 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1d4w n GLY 93 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1d4w s ILE 94 N -2.01 1.80 0.35 -0.61 -4.36 -1.26 -5.04 121.20 110.07 1d4w s ILE 94 Ca 0.00 -1.73 0.09 0.00 -0.26 0.00 0.00 60.65 58.75 1d4w s ILE 94 Cb 0.00 -2.52 0.10 0.00 1.25 0.00 0.00 42.46 41.28 1d4w s ILE 94 CO 0.00 0.00 1.82 1.62 0.24 0.00 0.00 174.94 178.62 1d4w h VAL 95 N 1.22 1.25 -2.11 8.37 3.04 -1.98 -3.43 116.25 122.61 1d4w h VAL 95 Ca -0.41 -1.16 -0.06 0.00 -1.01 0.00 0.00 66.70 64.05 1d4w h VAL 95 Cb 1.28 1.49 -0.20 0.00 -2.01 0.00 0.00 31.29 31.85 1d4w h VAL 95 CO 0.68 0.35 0.11 -0.51 -1.01 0.00 0.00 177.57 177.19 1d4w s ILE 96 N -4.39 0.00 0.64 3.17 2.07 -1.26 -5.11 121.20 116.32 1d4w s ILE 96 Ca -0.05 -0.03 -0.18 0.00 -1.41 0.00 0.00 60.65 58.98 1d4w s ILE 96 Cb 0.14 -0.95 -0.01 0.00 0.13 0.00 0.00 42.46 41.77 1d4w s ILE 96 CO 0.75 -0.02 1.26 -2.84 -1.91 0.00 0.00 174.94 172.18 1d4w s PRO 97 N -0.53 2.65 -0.26 3.50 0.02 -1.26 -4.92 135.00 134.20 1d4w s PRO 97 Ca -0.06 1.96 -0.29 0.00 0.02 0.00 0.00 61.00 62.63 1d4w s PRO 97 Cb -0.02 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.60 1d4w s PRO 97 CO 0.06 -1.49 1.68 -0.51 -0.33 0.00 0.00 177.00 176.41 1d4w s LEU 98 N -4.34 3.74 0.00 -5.54 1.43 -0.61 -4.64 118.68 108.73 1d4w s LEU 98 Ca 0.80 1.49 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 1d4w s LEU 98 Cb -0.35 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.34 1d4w s LEU 98 CO 0.38 -1.43 0.00 0.00 0.23 0.00 0.00 176.35 175.53 1d4w n GLN 99 N 7.97 2.24 -3.81 1.70 6.02 -0.04 -4.48 117.38 126.97 1d4w n GLN 99 Ca 0.20 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.89 1d4w n GLN 99 Cb 0.46 -0.78 -0.14 0.00 1.02 0.00 0.00 30.24 30.80 1d4w n GLN 99 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1d4w s TYR 100 N -1.57 2.47 -0.16 1.08 1.51 -0.58 -4.96 117.35 115.15 1d4w s TYR 100 Ca 0.00 -2.61 -0.29 0.00 -1.01 0.00 0.00 57.07 53.16 1d4w s TYR 100 Cb 0.00 -2.24 -0.02 0.00 -0.11 0.00 0.00 41.96 39.60 1d4w s TYR 100 CO 0.00 -0.80 1.28 -1.25 -1.11 0.00 0.00 175.55 173.67 1d4w s PRO 101 N 0.41 4.23 -0.38 -1.71 0.04 -1.26 -0.80 135.00 135.53 1d4w s PRO 101 Ca 0.16 1.69 -0.16 0.00 0.04 0.00 0.00 61.00 62.72 1d4w s PRO 101 Cb -0.23 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1d4w s PRO 101 CO -0.04 -0.72 0.40 0.08 0.04 0.00 0.00 177.00 176.76 1d4w s VAL 102 N 3.53 5.13 0.32 -0.36 1.01 0.10 -4.92 120.40 125.21 1d4w s VAL 102 Ca 0.56 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.45 1d4w s VAL 102 Cb -0.22 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1d4w s VAL 102 CO 0.15 -0.25 0.42 -1.61 0.00 0.00 0.00 175.10 173.81 1d4w s GLU 103 N 2.07 3.11 0.00 2.72 2.02 -1.26 -4.66 118.70 122.69 1d4w s GLU 103 Ca 0.12 -1.01 0.31 0.00 0.02 0.00 0.00 54.97 54.41 1d4w s GLU 103 Cb -0.17 -2.77 1.88 0.00 0.10 0.00 0.00 34.13 33.16 1d4w s GLU 103 CO 0.13 0.14 2.20 0.36 0.02 0.00 0.00 175.26 178.10