#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1we3 s THR 6 N 0.00 0.00 -0.05 3.15 -4.23 -1.26 -5.18 115.64 108.07 1we3 s THR 6 Ca 0.00 -1.40 -0.09 0.00 -1.18 0.00 0.00 61.69 59.02 1we3 s THR 6 Cb 0.00 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 71.30 1we3 s THR 6 CO 0.00 0.00 0.21 -0.69 -0.54 0.00 0.00 174.62 173.60 1we3 s VAL 7 N -3.19 0.03 -0.06 2.29 1.01 -1.26 -5.15 120.40 114.06 1we3 s VAL 7 Ca 0.24 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 61.79 1we3 s VAL 7 Cb -0.02 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 1we3 s VAL 7 CO 0.15 -0.15 0.46 -0.63 0.00 0.00 0.00 175.10 174.93 1we3 s ILE 8 N -0.52 5.09 -0.59 2.22 1.09 -1.26 -5.04 121.20 122.19 1we3 s ILE 8 Ca -0.06 0.93 0.04 0.00 -1.10 0.00 0.00 60.65 60.47 1we3 s ILE 8 Cb -0.04 -3.79 0.15 0.00 -1.06 0.00 0.00 42.46 37.72 1we3 s ILE 8 CO 0.01 0.43 0.36 -0.54 -0.10 0.00 0.00 174.94 175.10 1we3 s LYS 9 N -0.09 2.16 1.11 2.79 1.02 -1.26 -4.87 119.74 120.61 1we3 s LYS 9 Ca 0.25 -2.91 -0.12 0.00 0.02 0.00 0.00 55.97 53.21 1we3 s LYS 9 Cb -0.16 -3.34 0.26 0.00 -0.52 0.00 0.00 37.83 34.07 1we3 s LYS 9 CO 0.12 -1.19 1.05 -1.25 -0.92 0.00 0.00 175.35 173.17 1we3 s PRO 10 N -0.77 -0.54 0.00 -1.68 0.04 -1.26 -5.07 135.00 125.72 1we3 s PRO 10 Ca 0.20 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1we3 s PRO 10 Cb -0.17 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1we3 s PRO 10 CO -0.07 -3.53 0.00 1.28 0.04 0.00 0.00 177.00 174.72 1we3 n LEU 11 N -4.80 0.00 0.00 -3.56 4.77 -1.26 -4.30 117.00 107.85 1we3 n LEU 11 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1we3 n LEU 11 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1we3 n LEU 11 CO 0.55 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1we3 n GLY 12 N 5.00 0.00 0.51 -0.72 0.00 -1.26 -0.67 105.19 108.05 1we3 n GLY 12 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1we3 n GLY 12 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1we3 n ASP 13 N 0.00 1.62 -4.73 1.61 5.68 -1.26 -0.17 116.55 119.29 1we3 n ASP 13 Ca 0.00 -3.08 -0.41 0.00 -0.50 0.00 0.00 54.79 50.79 1we3 n ASP 13 Cb 0.00 -0.42 -0.03 0.00 -1.14 0.00 0.00 41.12 39.54 1we3 n ASP 13 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1we3 s ARG 14 N -2.23 4.35 0.48 0.11 0.52 0.16 -3.71 118.95 118.63 1we3 s ARG 14 Ca 0.30 2.11 0.07 0.00 -0.52 0.00 0.00 55.73 57.69 1we3 s ARG 14 Cb 0.29 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 32.57 1we3 s ARG 14 CO -0.04 -0.32 0.38 0.14 0.02 0.00 0.00 175.30 175.48 1we3 s VAL 15 N 0.30 2.17 -0.30 3.52 -7.23 -0.01 -2.33 120.40 116.51 1we3 s VAL 15 Ca 0.59 -1.44 -0.01 0.00 -1.81 0.00 0.00 61.98 59.31 1we3 s VAL 15 Cb -0.38 -2.61 0.10 0.00 0.56 0.00 0.00 36.38 34.05 1we3 s VAL 15 CO 0.37 0.00 0.10 -0.69 -0.31 0.00 0.00 175.10 174.57 1we3 s VAL 16 N -2.62 0.82 0.20 1.32 1.01 -0.91 -2.86 120.40 117.36 1we3 s VAL 16 Ca 0.42 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1we3 s VAL 16 Cb -0.02 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1we3 s VAL 16 CO 0.25 -0.66 0.36 -0.69 0.00 0.00 0.00 175.10 174.36 1we3 s VAL 17 N 1.65 5.24 -0.40 2.92 1.01 -0.78 0.48 120.40 130.52 1we3 s VAL 17 Ca 0.09 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1we3 s VAL 17 Cb -0.17 -3.76 0.11 0.00 0.00 0.00 0.00 36.38 32.56 1we3 s VAL 17 CO -0.25 -0.19 0.15 -0.75 0.00 0.00 0.00 175.10 174.06 1we3 s LYS 18 N -3.44 1.46 0.49 2.72 2.36 -0.64 -0.98 119.74 121.72 1we3 s LYS 18 Ca 0.37 -1.99 -0.11 0.00 -2.55 0.00 0.00 55.97 51.69 1we3 s LYS 18 Cb -0.11 -2.89 -0.10 0.00 -1.05 0.00 0.00 37.83 33.69 1we3 s LYS 18 CO 0.29 -1.04 -0.31 0.54 1.55 0.00 0.00 175.35 176.39 1we3 n ARG 19 N 3.89 0.00 -3.94 4.03 1.74 -1.25 -3.43 116.66 117.69 1we3 n ARG 19 Ca 0.04 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.83 1we3 n ARG 19 Cb 0.38 -0.64 -0.16 0.00 -1.02 0.00 0.00 32.46 31.02 1we3 n ARG 19 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1we3 s ILE 20 N -1.27 1.34 0.27 0.55 1.01 -0.93 -4.81 121.20 117.36 1we3 s ILE 20 Ca 0.31 -0.71 -0.29 0.00 0.00 0.00 0.00 60.65 59.95 1we3 s ILE 20 Cb -0.21 -1.42 -0.10 0.00 0.01 0.00 0.00 42.46 40.74 1we3 s ILE 20 CO 0.48 0.22 1.32 -1.83 0.00 0.00 0.00 174.94 175.13 1we3 s GLU 21 N 1.54 4.37 0.72 2.79 1.03 -1.26 -4.60 118.70 123.29 1we3 s GLU 21 Ca 0.01 2.15 -0.14 0.00 0.03 0.00 0.00 54.97 57.03 1we3 s GLU 21 Cb -0.15 -3.13 0.03 0.00 -0.80 0.00 0.00 34.13 30.09 1we3 s GLU 21 CO -0.08 -0.23 1.13 -1.21 -1.33 0.00 0.00 175.26 173.54 1we3 s GLU 22 N -0.95 2.38 0.74 -4.83 8.01 -1.26 -4.95 118.70 117.84 1we3 s GLU 22 Ca 0.53 1.45 -0.16 0.00 0.01 0.00 0.00 54.97 56.81 1we3 s GLU 22 Cb -0.39 -1.89 -0.01 0.00 -4.31 0.00 0.00 34.13 27.53 1we3 s GLU 22 CO 0.45 -1.58 0.69 0.39 0.01 0.00 0.00 175.26 175.22 1we3 n GLU 23 N -2.85 0.33 -0.37 1.61 1.02 -1.26 -4.87 120.64 114.24 1we3 n GLU 23 Ca 0.11 0.16 -0.02 0.00 -0.02 0.00 0.00 57.16 57.39 1we3 n GLU 23 Cb 0.52 -1.98 0.11 0.00 -0.02 0.00 0.00 31.44 30.07 1we3 n GLU 23 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1we3 h PRO 24 N -0.42 1.30 -6.32 3.49 0.13 -1.97 -3.44 132.00 124.77 1we3 h PRO 24 Ca -0.46 -0.08 -0.53 0.00 -0.87 0.00 0.00 66.00 64.07 1we3 h PRO 24 Cb 1.34 -0.29 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1we3 h PRO 24 CO 0.44 0.86 -0.20 0.15 -0.23 0.00 0.00 178.00 179.01 1we3 s LYS 25 N -6.11 2.32 0.00 0.86 1.02 -1.26 -3.15 119.74 113.41 1we3 s LYS 25 Ca -0.13 -1.78 0.00 0.00 0.02 0.00 0.00 55.97 54.08 1we3 s LYS 25 Cb 0.18 -2.41 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 1we3 s LYS 25 CO 0.82 -0.70 0.00 0.25 -0.92 0.00 0.00 175.35 174.80 1we3 n THR 26 N -1.99 0.00 0.58 2.17 -2.24 -1.14 -4.92 114.28 106.75 1we3 n THR 26 Ca 0.08 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.92 1we3 n THR 26 Cb 0.63 -0.46 0.32 0.00 -2.10 0.00 0.00 70.33 68.72 1we3 n THR 26 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1we3 n LYS 27 N -0.30 0.13 0.00 -0.78 2.85 -1.26 -2.36 118.16 116.44 1we3 n LYS 27 Ca 0.00 0.20 0.04 0.00 -1.05 0.00 0.00 58.31 57.50 1we3 n LYS 27 Cb 0.00 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 32.83 1we3 n LYS 27 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1we3 n GLY 28 N -0.12 0.20 0.00 2.58 0.00 -1.26 -5.00 105.19 101.59 1we3 n GLY 28 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1we3 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1we3 n GLY 29 N 1.19 0.20 3.63 -0.02 0.00 -0.99 -5.05 105.19 104.15 1we3 n GLY 29 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1we3 n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1we3 s ILE 30 N -2.00 3.60 -0.31 -0.61 1.01 -1.26 -4.61 121.20 117.02 1we3 s ILE 30 Ca 0.00 0.67 -0.29 0.00 0.00 0.00 0.00 60.65 61.03 1we3 s ILE 30 Cb 0.00 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.86 1we3 s ILE 30 CO 0.00 -0.25 1.40 -0.69 0.00 0.00 0.00 174.94 175.41 1we3 s VAL 31 N 5.35 3.98 0.38 2.92 1.01 -1.26 -2.88 120.40 129.90 1we3 s VAL 31 Ca 0.75 1.08 -0.19 0.00 0.00 0.00 0.00 61.98 63.62 1we3 s VAL 31 Cb -0.27 -4.06 -0.10 0.00 0.00 0.00 0.00 36.38 31.95 1we3 s VAL 31 CO 0.30 -0.49 0.86 -0.22 0.00 0.00 0.00 175.10 175.55 1we3 s LEU 32 N 4.83 4.01 0.14 3.92 2.96 -1.19 -5.03 118.68 128.32 1we3 s LEU 32 Ca 0.61 1.52 -0.30 0.00 -0.22 0.00 0.00 54.13 55.74 1we3 s LEU 32 Cb -0.18 -4.32 -0.06 0.00 0.50 0.00 0.00 46.19 42.13 1we3 s LEU 32 CO 0.27 -0.28 0.96 -2.16 -1.32 0.00 0.00 176.35 173.81 1we3 s PRO 33 N -3.04 4.73 0.00 0.98 0.04 -1.26 -4.87 135.00 131.58 1we3 s PRO 33 Ca 0.58 1.46 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1we3 s PRO 33 Cb -0.10 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1we3 s PRO 33 CO 0.15 0.28 0.16 -0.40 0.04 0.00 0.00 177.00 177.23 1we3 n ASP 34 N 2.51 0.00 -0.10 6.66 5.75 -1.26 0.99 116.55 131.11 1we3 n ASP 34 Ca 0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.70 1we3 n ASP 34 Cb 0.49 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.42 1we3 n ASP 34 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1we3 n THR 35 N -0.60 1.36 0.09 2.12 -1.04 -1.26 -4.42 114.28 110.52 1we3 n THR 35 Ca 0.00 -0.85 -0.20 0.00 -2.04 0.00 0.00 64.05 60.96 1we3 n THR 35 Cb 0.00 -0.45 -0.12 0.00 -1.82 0.00 0.00 70.33 67.94 1we3 n THR 35 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1we3 h ALA 36 N 1.02 0.06 -2.15 2.41 0.00 0.27 -3.44 119.26 117.43 1we3 h ALA 36 Ca -0.54 -0.77 -0.59 0.00 0.00 0.00 0.00 54.91 53.01 1we3 h ALA 36 Cb 2.22 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 20.02 1we3 h ALA 36 CO 0.03 0.74 0.65 -1.59 0.00 0.00 0.00 179.25 179.08 1we3 s LYS 37 N -3.00 4.17 0.79 0.00 -2.85 -1.08 -5.03 119.74 112.75 1we3 s LYS 37 Ca -0.08 1.09 -0.04 0.00 -1.00 0.00 0.00 55.97 55.94 1we3 s LYS 37 Cb 0.06 -3.67 0.16 0.00 -2.06 0.00 0.00 37.83 32.32 1we3 s LYS 37 CO 0.92 -0.64 1.09 -1.83 0.10 0.00 0.00 175.35 174.99 1we3 s GLU 38 N 3.12 1.32 0.20 1.78 -1.05 -1.26 -4.89 118.70 117.92 1we3 s GLU 38 Ca 0.40 -1.04 -0.32 0.00 -0.15 0.00 0.00 54.97 53.87 1we3 s GLU 38 Cb -0.15 -2.21 -0.11 0.00 -0.44 0.00 0.00 34.13 31.22 1we3 s GLU 38 CO 0.09 -1.75 1.67 0.15 0.95 0.00 0.00 175.26 176.37 1we3 s LYS 39 N -5.34 4.15 0.72 -4.83 1.02 -1.26 -4.93 119.74 109.26 1we3 s LYS 39 Ca 0.69 2.54 -0.16 0.00 0.02 0.00 0.00 55.97 59.07 1we3 s LYS 39 Cb -0.04 -3.09 0.01 0.00 -0.52 0.00 0.00 37.83 34.19 1we3 s LYS 39 CO 0.47 -0.71 1.06 -0.35 -0.92 0.00 0.00 175.35 174.90 1we3 n PRO 40 N 3.88 0.56 -0.44 -1.68 -0.04 -1.26 -4.92 135.00 131.10 1we3 n PRO 40 Ca 0.15 0.25 0.08 0.00 -0.04 0.00 0.00 63.50 63.94 1we3 n PRO 40 Cb 0.36 -2.31 0.26 0.00 -0.04 0.00 0.00 33.50 31.78 1we3 n PRO 40 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1we3 n GLN 41 N -2.07 3.24 -4.58 0.54 6.02 -1.26 -4.75 117.38 114.53 1we3 n GLN 41 Ca 0.14 -2.66 -0.27 0.00 -0.01 0.00 0.00 57.00 54.20 1we3 n GLN 41 Cb 0.49 -1.73 -0.11 0.00 1.02 0.00 0.00 30.24 29.92 1we3 n GLN 41 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1we3 s LYS 42 N -2.10 1.88 0.00 -1.09 1.02 -1.26 -1.41 119.74 116.78 1we3 s LYS 42 Ca 0.40 -2.02 0.00 0.00 0.02 0.00 0.00 55.97 54.36 1we3 s LYS 42 Cb 0.28 -1.61 0.00 0.00 -0.52 0.00 0.00 37.83 35.98 1we3 s LYS 42 CO 0.15 0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 1we3 n GLY 43 N -0.88 2.84 3.88 -3.33 0.00 -1.12 -2.18 105.19 104.40 1we3 n GLY 43 Ca -0.05 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 1we3 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1we3 s LYS 44 N -2.00 3.66 0.15 1.61 1.02 -1.22 -0.42 119.74 122.54 1we3 s LYS 44 Ca 0.00 0.01 -0.30 0.00 0.02 0.00 0.00 55.97 55.71 1we3 s LYS 44 Cb 0.00 -3.01 -0.07 0.00 -0.52 0.00 0.00 37.83 34.23 1we3 s LYS 44 CO 0.00 0.58 0.94 0.08 -0.92 0.00 0.00 175.35 176.04 1we3 s VAL 45 N -1.40 4.36 -0.13 3.17 1.01 -0.65 -1.62 120.40 125.13 1we3 s VAL 45 Ca 0.32 2.06 0.03 0.00 0.00 0.00 0.00 61.98 64.39 1we3 s VAL 45 Cb -0.13 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 1we3 s VAL 45 CO 0.19 0.39 0.12 -0.38 0.00 0.00 0.00 175.10 175.41 1we3 n ILE 46 N 2.32 0.00 -3.15 2.22 2.08 0.18 -1.62 119.36 121.38 1we3 n ILE 46 Ca 0.00 -0.42 0.05 0.00 0.56 0.00 0.00 62.75 62.94 1we3 n ILE 46 Cb 0.48 0.98 -0.01 0.00 -0.75 0.00 0.00 39.64 40.34 1we3 n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1we3 s ALA 47 N -1.31 -3.02 0.47 -1.39 0.00 -1.23 -4.94 121.76 110.34 1we3 s ALA 47 Ca 0.01 1.40 -0.13 0.00 0.00 0.00 0.00 51.96 53.24 1we3 s ALA 47 Cb 0.02 -2.52 -0.07 0.00 0.00 0.00 0.00 23.12 20.55 1we3 s ALA 47 CO 0.12 -1.69 0.89 0.14 0.00 0.00 0.00 175.76 175.22 1we3 s VAL 48 N 2.90 4.66 0.38 0.00 -7.23 -1.26 -2.13 120.40 117.71 1we3 s VAL 48 Ca 0.14 0.92 0.04 0.00 -1.81 0.00 0.00 61.98 61.28 1we3 s VAL 48 Cb -0.09 -3.74 0.04 0.00 0.56 0.00 0.00 36.38 33.15 1we3 s VAL 48 CO -0.20 -0.65 0.36 0.61 -0.31 0.00 0.00 175.10 174.91 1we3 n GLY 49 N -1.54 2.58 0.10 2.32 0.00 -0.99 -4.63 105.19 103.03 1we3 n GLY 49 Ca 0.05 -2.24 -0.03 0.00 0.00 0.00 0.00 46.02 43.80 1we3 n GLY 49 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1we3 n THR 50 N -1.52 -0.16 0.00 2.61 -1.04 -1.25 -4.74 114.28 108.18 1we3 n THR 50 Ca 0.02 1.63 0.00 0.00 -2.04 0.00 0.00 64.05 63.66 1we3 n THR 50 Cb 0.42 -2.11 0.00 0.00 -1.82 0.00 0.00 70.33 66.82 1we3 n THR 50 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1we3 n GLY 51 N -1.06 4.39 3.71 3.41 0.00 0.76 -4.70 105.19 111.70 1we3 n GLY 51 Ca 0.00 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 1we3 n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1we3 s ARG 52 N -4.00 4.38 -0.72 1.61 1.70 -1.16 -4.52 118.95 116.24 1we3 s ARG 52 Ca 0.00 1.88 -0.27 0.00 -0.47 0.00 0.00 55.73 56.87 1we3 s ARG 52 Cb 0.00 -3.33 0.03 0.00 -0.57 0.00 0.00 34.95 31.08 1we3 s ARG 52 CO 0.00 -0.34 1.25 0.08 -1.08 0.00 0.00 175.30 175.21 1we3 s VAL 53 N 1.20 3.78 0.00 4.99 1.01 -1.26 -2.25 120.40 127.87 1we3 s VAL 53 Ca 0.61 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.99 1we3 s VAL 53 Cb -0.32 -4.89 0.00 0.00 0.00 0.00 0.00 36.38 31.17 1we3 s VAL 53 CO 0.29 -1.79 0.00 0.18 0.00 0.00 0.00 175.10 173.78 1we3 n LEU 54 N 9.20 0.00 0.06 3.92 4.77 -0.22 -4.85 117.00 129.88 1we3 n LEU 54 Ca 0.03 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.95 1we3 n LEU 54 Cb 0.49 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1we3 n LEU 54 CO 0.71 -0.42 0.10 -0.33 -1.33 0.00 0.00 177.39 176.12 1we3 h GLU 55 N 0.00 0.00 -1.25 3.23 4.39 -1.95 -3.32 114.58 115.68 1we3 h GLU 55 Ca 0.00 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.06 1we3 h GLU 55 Cb 0.00 0.00 -0.35 0.00 -0.10 0.00 0.00 28.75 28.30 1we3 h GLU 55 CO 0.00 0.87 0.09 0.27 -1.16 0.00 0.00 179.01 179.08 1we3 n ASN 56 N -3.29 6.24 0.00 1.42 0.23 -1.26 -4.89 115.26 113.71 1we3 n ASN 56 Ca -0.02 -3.77 0.00 0.00 -0.53 0.00 0.00 54.58 50.26 1we3 n ASN 56 Cb 0.93 -0.71 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 1we3 n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1we3 n GLY 57 N -0.69 0.00 3.64 4.83 0.00 -1.25 -4.91 105.19 106.81 1we3 n GLY 57 Ca 0.51 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.10 1we3 n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1we3 s GLN 58 N -1.45 3.99 -0.83 1.61 -1.52 -1.26 -4.71 119.66 115.49 1we3 s GLN 58 Ca 0.00 1.51 -0.19 0.00 -1.95 0.00 0.00 55.36 54.73 1we3 s GLN 58 Cb 0.00 -3.89 0.12 0.00 -0.22 0.00 0.00 33.01 29.02 1we3 s GLN 58 CO 0.00 -1.02 1.03 1.03 -0.25 0.00 0.00 175.29 176.08 1we3 s ARG 59 N 4.08 3.43 -0.10 2.91 0.52 -1.26 -1.06 118.95 127.48 1we3 s ARG 59 Ca 0.60 -1.53 -0.29 0.00 -0.52 0.00 0.00 55.73 53.99 1we3 s ARG 59 Cb -0.21 -4.67 -0.05 0.00 0.52 0.00 0.00 34.95 30.54 1we3 s ARG 59 CO 0.22 -1.74 1.69 0.08 0.02 0.00 0.00 175.30 175.57 1we3 s VAL 60 N 2.91 3.55 0.69 3.52 1.01 -0.96 -4.83 120.40 126.30 1we3 s VAL 60 Ca 0.28 0.65 -0.16 0.00 0.00 0.00 0.00 61.98 62.74 1we3 s VAL 60 Cb -0.10 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.83 1we3 s VAL 60 CO -0.03 -0.11 1.21 -2.84 0.00 0.00 0.00 175.10 173.32 1we3 s PRO 61 N 4.35 2.39 -0.02 2.72 0.02 -1.26 -3.01 135.00 140.19 1we3 s PRO 61 Ca 0.75 1.78 -0.30 0.00 0.02 0.00 0.00 61.00 63.25 1we3 s PRO 61 Cb -0.32 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 1we3 s PRO 61 CO 0.30 -1.65 1.15 -0.51 -0.33 0.00 0.00 177.00 175.96 1we3 s LEU 62 N -4.84 4.31 0.00 -5.54 1.02 -1.26 -4.86 118.68 107.51 1we3 s LEU 62 Ca 0.75 1.82 0.00 0.00 0.02 0.00 0.00 54.13 56.72 1we3 s LEU 62 Cb -0.30 -3.57 0.00 0.00 0.02 0.00 0.00 46.19 42.35 1we3 s LEU 62 CO 0.42 -0.49 0.42 -0.62 0.02 0.00 0.00 176.35 176.10 1we3 n GLU 63 N 4.63 0.00 -4.47 1.70 1.02 -1.26 -4.54 120.64 117.71 1we3 n GLU 63 Ca 0.09 0.02 -0.34 0.00 -0.02 0.00 0.00 57.16 56.91 1we3 n GLU 63 Cb 0.47 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.27 1we3 n GLU 63 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1we3 s VAL 64 N -1.84 3.84 0.42 2.62 1.01 -1.26 -5.11 120.40 120.08 1we3 s VAL 64 Ca 0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 1we3 s VAL 64 Cb 0.00 -2.65 -0.07 0.00 0.00 0.00 0.00 36.38 33.67 1we3 s VAL 64 CO 0.00 0.53 0.81 -0.54 0.00 0.00 0.00 175.10 175.90 1we3 s LYS 65 N -0.02 3.83 -1.13 2.72 1.02 -1.26 -4.93 119.74 119.97 1we3 s LYS 65 Ca 0.01 0.59 -0.23 0.00 0.02 0.00 0.00 55.97 56.36 1we3 s LYS 65 Cb -0.13 -2.34 -0.10 0.00 -0.52 0.00 0.00 37.83 34.74 1we3 s LYS 65 CO 0.03 -0.07 1.93 -1.91 -0.92 0.00 0.00 175.35 174.41 1we3 n GLU 66 N -1.29 1.57 0.00 1.68 2.13 -1.26 -2.88 120.64 120.59 1we3 n GLU 66 Ca 0.03 -2.38 0.00 0.00 0.66 0.00 0.00 57.16 55.47 1we3 n GLU 66 Cb 0.54 -3.63 0.00 0.00 0.27 0.00 0.00 31.44 28.62 1we3 n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1we3 n GLY 67 N 5.62 -0.64 3.93 8.31 0.00 -0.64 -4.88 105.19 116.89 1we3 n GLY 67 Ca 0.45 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.22 1we3 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1we3 s ASP 68 N 0.00 5.29 -0.37 1.61 1.01 -1.14 -4.61 116.67 118.47 1we3 s ASP 68 Ca 0.00 0.52 -0.19 0.00 0.71 0.00 0.00 52.55 53.60 1we3 s ASP 68 Cb 0.00 -1.40 0.00 0.00 1.01 0.00 0.00 42.92 42.54 1we3 s ASP 68 CO 0.00 -1.24 0.54 -0.63 0.21 0.00 0.00 175.17 174.04 1we3 s ILE 69 N -3.04 4.98 0.07 0.77 1.01 -1.26 -1.64 121.20 122.10 1we3 s ILE 69 Ca 0.56 0.27 0.05 0.00 0.00 0.00 0.00 60.65 61.53 1we3 s ILE 69 Cb -0.11 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1we3 s ILE 69 CO 0.44 -0.30 -0.05 -0.69 0.00 0.00 0.00 174.94 174.34 1we3 s VAL 70 N 2.46 3.72 -0.20 2.92 1.01 0.44 -0.62 120.40 130.13 1we3 s VAL 70 Ca 0.19 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 1we3 s VAL 70 Cb -0.15 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1we3 s VAL 70 CO 0.14 0.18 -0.06 -0.69 0.00 0.00 0.00 175.10 174.67 1we3 s VAL 71 N -1.21 3.32 0.08 2.92 1.01 -0.33 -2.80 120.40 123.40 1we3 s VAL 71 Ca 0.22 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1we3 s VAL 71 Cb -0.11 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1we3 s VAL 71 CO 0.14 0.45 -0.04 0.72 0.00 0.00 0.00 175.10 176.38 1we3 s PHE 72 N 1.18 0.73 -1.13 5.22 -0.12 -0.50 0.44 117.98 123.80 1we3 s PHE 72 Ca 0.02 -1.02 -0.22 0.00 -0.05 0.00 0.00 56.93 55.66 1we3 s PHE 72 Cb -0.14 -0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 41.73 1we3 s PHE 72 CO -0.02 -0.29 1.89 0.00 -0.05 0.00 0.00 175.22 176.75 1we3 s ALA 73 N -3.80 2.02 0.09 1.99 0.00 -1.20 -4.67 121.76 116.20 1we3 s ALA 73 Ca 0.11 -2.13 0.08 0.00 0.00 0.00 0.00 51.96 50.02 1we3 s ALA 73 Cb 0.07 -4.64 0.27 0.00 0.00 0.00 0.00 23.12 18.82 1we3 s ALA 73 CO -0.06 -4.81 0.25 0.36 0.00 0.00 0.00 175.76 171.50 1we3 n LYS 74 N 8.45 0.00 0.07 0.00 2.85 -1.26 -1.30 118.16 126.97 1we3 n LYS 74 Ca 0.44 0.18 -0.05 0.00 -1.05 0.00 0.00 58.31 57.83 1we3 n LYS 74 Cb 0.47 -0.41 0.15 0.00 -0.65 0.00 0.00 35.03 34.58 1we3 n LYS 74 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 177.40 177.45 1we3 h TYR 75 N 0.00 0.37 -2.04 5.58 -0.00 -1.95 -3.47 116.97 115.47 1we3 h TYR 75 Ca 0.15 -0.12 -0.44 0.00 0.00 0.00 0.00 58.73 58.31 1we3 h TYR 75 Cb 0.61 -0.07 0.04 0.00 0.00 0.00 0.00 36.73 37.31 1we3 h TYR 75 CO 0.00 0.76 -0.08 0.20 -0.00 0.00 0.00 178.16 179.04 1we3 s GLY 76 N -4.25 1.84 0.00 0.10 0.00 -0.42 -5.01 107.32 99.59 1we3 s GLY 76 Ca -0.05 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.14 1we3 s GLY 76 CO 0.80 -1.23 0.00 0.61 0.00 0.00 0.00 173.10 173.28 1we3 n GLY 77 N -2.27 -2.83 3.49 0.20 0.00 -1.26 -4.94 105.19 97.57 1we3 n GLY 77 Ca 0.10 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 1we3 n GLY 77 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1we3 n THR 78 N 0.49 1.32 -4.38 2.61 -1.04 -1.23 -4.68 114.28 107.36 1we3 n THR 78 Ca 0.00 -0.31 -0.21 0.00 -2.04 0.00 0.00 64.05 61.49 1we3 n THR 78 Cb 0.00 -0.78 -0.13 0.00 -1.82 0.00 0.00 70.33 67.60 1we3 n THR 78 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1we3 s GLU 79 N -3.24 1.01 0.12 -2.82 2.02 -1.26 -0.80 118.70 113.73 1we3 s GLU 79 Ca 0.64 -0.83 -0.20 0.00 0.02 0.00 0.00 54.97 54.60 1we3 s GLU 79 Cb -0.30 -1.05 0.05 0.00 0.10 0.00 0.00 34.13 32.93 1we3 s GLU 79 CO 0.60 0.26 0.50 0.42 0.02 0.00 0.00 175.26 177.06 1we3 s ILE 80 N -0.90 0.03 0.17 -1.63 1.01 -0.21 -4.98 121.20 114.70 1we3 s ILE 80 Ca 0.03 -0.28 0.08 0.00 0.00 0.00 0.00 60.65 60.48 1we3 s ILE 80 Cb -0.08 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1we3 s ILE 80 CO 0.02 -0.15 -0.07 -0.70 0.00 0.00 0.00 174.94 174.03 1we3 s GLU 81 N -3.47 2.17 -0.19 2.79 2.12 -1.26 0.36 118.70 121.23 1we3 s GLU 81 Ca 0.00 -1.19 -0.07 0.00 0.36 0.00 0.00 54.97 54.08 1we3 s GLU 81 Cb 0.00 -2.24 0.09 0.00 0.26 0.00 0.00 34.13 32.24 1we3 s GLU 81 CO -0.10 0.45 0.40 0.42 -0.54 0.00 0.00 175.26 175.89 1we3 s ILE 82 N -1.64 -0.58 -1.37 -3.70 1.01 0.24 -4.91 121.20 110.24 1we3 s ILE 82 Ca 0.25 0.18 -0.00 0.00 0.00 0.00 0.00 60.65 61.08 1we3 s ILE 82 Cb -0.09 -0.63 -0.00 0.00 0.01 0.00 0.00 42.46 41.75 1we3 s ILE 82 CO 0.16 0.07 0.51 0.47 0.00 0.00 0.00 174.94 176.16 1we3 n ASP 83 N 5.31 -0.66 -2.58 3.58 9.92 -1.26 -3.15 116.55 127.72 1we3 n ASP 83 Ca -0.09 -0.95 -0.05 0.00 -0.53 0.00 0.00 54.79 53.17 1we3 n ASP 83 Cb 0.50 -3.39 0.02 0.00 -0.64 0.00 0.00 41.12 37.61 1we3 n ASP 83 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1we3 n GLY 84 N -1.84 -0.65 0.00 0.44 0.00 -1.26 -5.06 105.19 96.82 1we3 n GLY 84 Ca -0.31 0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1we3 n GLY 84 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1we3 n GLU 85 N -2.11 0.00 -4.49 1.61 4.07 -1.19 -5.18 120.64 113.36 1we3 n GLU 85 Ca -0.02 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.74 1we3 n GLU 85 Cb 0.54 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.82 1we3 n GLU 85 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1we3 s GLU 86 N 0.00 2.79 0.32 5.31 -1.05 -1.26 0.80 118.70 125.60 1we3 s GLU 86 Ca 0.00 -0.54 0.06 0.00 -0.15 0.00 0.00 54.97 54.34 1we3 s GLU 86 Cb 0.00 -2.64 -0.02 0.00 -0.44 0.00 0.00 34.13 31.02 1we3 s GLU 86 CO 0.00 0.66 0.23 0.66 0.95 0.00 0.00 175.26 177.76 1we3 n TYR 87 N 1.99 -0.54 -4.30 4.83 4.02 0.16 -4.74 117.16 118.58 1we3 n TYR 87 Ca -0.17 -2.51 -0.27 0.00 -0.01 0.00 0.00 57.90 54.93 1we3 n TYR 87 Cb 0.53 0.21 -0.17 0.00 -0.02 0.00 0.00 39.34 39.89 1we3 n TYR 87 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1we3 s VAL 88 N -3.17 1.29 -0.92 -0.72 1.01 -0.15 -1.04 120.40 116.70 1we3 s VAL 88 Ca 0.32 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 1we3 s VAL 88 Cb 0.02 -1.21 0.13 0.00 0.00 0.00 0.00 36.38 35.32 1we3 s VAL 88 CO 0.23 0.40 1.11 -0.63 0.00 0.00 0.00 175.10 176.21 1we3 s ILE 89 N 1.14 4.75 0.26 2.22 1.01 0.02 -1.87 121.20 128.73 1we3 s ILE 89 Ca -0.05 -1.58 -0.00 0.00 0.00 0.00 0.00 60.65 59.02 1we3 s ILE 89 Cb -0.14 -4.77 -0.04 0.00 0.01 0.00 0.00 42.46 37.52 1we3 s ILE 89 CO -0.03 -1.49 0.46 -0.76 0.00 0.00 0.00 174.94 173.12 1we3 s LEU 90 N 2.64 4.15 0.00 2.97 1.43 -1.13 -3.53 118.68 125.20 1we3 s LEU 90 Ca 0.32 0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1we3 s LEU 90 Cb -0.05 -3.22 0.14 0.00 0.03 0.00 0.00 46.19 43.08 1we3 s LEU 90 CO -0.09 -0.14 0.96 -1.20 0.23 0.00 0.00 176.35 176.10 1we3 n SER 91 N -1.13 1.38 -0.10 2.29 7.64 -1.26 -0.83 113.62 121.61 1we3 n SER 91 Ca -0.05 -2.14 -0.14 0.00 1.01 0.00 0.00 58.87 57.55 1we3 n SER 91 Cb 0.55 -0.61 -0.03 0.00 -1.01 0.00 0.00 64.21 63.11 1we3 n SER 91 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1we3 h GLU 92 N 0.00 0.90 -0.28 1.43 4.81 -1.94 -3.05 114.58 116.45 1we3 h GLU 92 Ca -0.32 -0.51 0.06 0.00 -0.13 0.00 0.00 59.36 58.47 1we3 h GLU 92 Cb 1.19 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.53 1we3 h GLU 92 CO 0.35 1.16 -0.32 0.00 -0.73 0.00 0.00 179.01 179.47 1we3 h ARG 93 N 0.70 -0.30 -0.02 1.92 3.08 -1.94 0.11 114.38 117.94 1we3 h ARG 93 Ca 0.04 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1we3 h ARG 93 Cb 1.04 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 1we3 h ARG 93 CO 0.10 -0.20 0.08 -0.44 -1.07 0.00 0.00 179.97 178.44 1we3 h ASP 94 N -0.31 0.00 -3.15 7.04 3.32 -1.93 -3.40 116.42 117.99 1we3 h ASP 94 Ca 0.14 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.62 1we3 h ASP 94 Cb 0.54 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.03 1we3 h ASP 94 CO -0.45 0.00 0.71 -0.76 -1.72 0.00 0.00 179.24 177.02 1we3 s LEU 95 N -6.40 4.16 -0.19 1.55 1.43 0.37 -3.21 118.68 116.41 1we3 s LEU 95 Ca -0.05 1.45 0.15 0.00 -1.03 0.00 0.00 54.13 54.66 1we3 s LEU 95 Cb 0.13 -3.55 -0.22 0.00 0.03 0.00 0.00 46.19 42.58 1we3 s LEU 95 CO 0.41 -0.58 0.04 0.18 0.23 0.00 0.00 176.35 176.64 1we3 n LEU 96 N 5.79 0.21 0.00 1.79 4.77 0.17 -4.98 117.00 124.76 1we3 n LEU 96 Ca 0.11 -0.01 0.01 0.00 -0.03 0.00 0.00 56.01 56.09 1we3 n LEU 96 Cb 0.47 0.37 0.01 0.00 -2.33 0.00 0.00 43.42 41.94 1we3 n LEU 96 CO 0.52 0.49 0.79 0.00 -1.33 0.00 0.00 177.39 177.86 1we3 n ALA 97 N -2.72 -2.62 -2.97 -1.18 0.00 -1.02 -4.98 120.51 105.02 1we3 n ALA 97 Ca -0.31 -0.64 -0.17 0.00 0.00 0.00 0.00 53.44 52.32 1we3 n ALA 97 Cb 1.09 0.17 -0.15 0.00 0.00 0.00 0.00 19.45 20.57 1we3 n ALA 97 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1we3 s VAL 98 N -2.07 0.44 -0.20 0.00 1.01 -1.26 -1.18 120.40 117.14 1we3 s VAL 98 Ca 0.22 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.82 1we3 s VAL 98 Cb -0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 1we3 s VAL 98 CO 0.00 0.14 0.52 -0.76 0.00 0.00 0.00 175.10 175.00 1we3 s LEU 99 N 0.12 4.15 0.00 3.92 1.02 0.21 -4.99 118.68 123.11 1we3 s LEU 99 Ca -0.01 0.68 0.16 0.00 0.02 0.00 0.00 54.13 54.99 1we3 s LEU 99 Cb -0.05 -2.71 0.13 0.00 0.02 0.00 0.00 46.19 43.58 1we3 s LEU 99 CO -0.00 -0.17 1.02 1.67 0.02 0.00 0.00 176.35 178.89