#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 1.50 0.37 0.58 2.01 -1.26 -5.12 115.64 113.72 1we3 s THR 6 Ca 0.00 -0.67 -0.13 0.00 0.31 0.00 0.00 61.69 61.21 1we3 s THR 6 Cb 0.00 -1.36 -0.08 0.00 0.01 0.00 0.00 72.50 71.08 1we3 s THR 6 CO 0.00 0.44 0.76 -0.69 -0.69 0.00 0.00 174.62 174.44 1we3 s VAL 7 N 0.80 4.73 -0.14 3.82 1.01 -1.26 -4.99 120.40 124.37 1we3 s VAL 7 Ca -0.11 0.79 -0.02 0.00 0.00 0.00 0.00 61.98 62.64 1we3 s VAL 7 Cb -0.16 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 1we3 s VAL 7 CO 0.01 -0.36 -0.08 -0.63 0.00 0.00 0.00 175.10 174.04 1we3 s ILE 8 N -2.19 3.53 -0.52 2.22 1.09 -1.26 -5.07 121.20 118.99 1we3 s ILE 8 Ca 0.53 -0.49 0.03 0.00 -1.10 0.00 0.00 60.65 59.62 1we3 s ILE 8 Cb -0.10 -2.52 0.13 0.00 -1.06 0.00 0.00 42.46 38.91 1we3 s ILE 8 CO 0.25 0.51 0.27 -0.54 -0.10 0.00 0.00 174.94 175.33 1we3 s LYS 9 N 0.35 2.04 0.81 2.79 1.02 -1.26 -4.89 119.74 120.60 1we3 s LYS 9 Ca -0.07 -2.56 -0.11 0.00 0.02 0.00 0.00 55.97 53.25 1we3 s LYS 9 Cb -0.15 -3.38 0.08 0.00 -0.52 0.00 0.00 37.83 33.86 1we3 s LYS 9 CO 0.04 -1.11 1.12 -1.25 -0.92 0.00 0.00 175.35 173.23 1we3 s PRO 10 N -0.17 1.86 0.31 -1.68 0.04 -1.26 -5.06 135.00 129.03 1we3 s PRO 10 Ca 0.17 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1we3 s PRO 10 Cb -0.25 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1we3 s PRO 10 CO -0.01 -1.97 0.00 1.28 0.04 0.00 0.00 177.00 176.34 1we3 n LEU 11 N -3.63 0.00 -2.19 -3.56 4.77 -1.26 -4.33 117.00 106.80 1we3 n LEU 11 Ca 0.10 -1.92 0.00 0.00 -0.03 0.00 0.00 56.01 54.16 1we3 n LEU 11 Cb 0.52 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1we3 n LEU 11 CO 0.51 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1we3 n GLY 12 N 1.33 0.00 2.21 -0.72 0.00 -1.26 0.15 105.19 106.90 1we3 n GLY 12 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.54 -3.30 -4.72 1.61 5.68 0.63 -4.66 116.55 112.33 1we3 n ASP 13 Ca 0.00 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 53.88 1we3 n ASP 13 Cb 0.00 -0.95 -0.04 0.00 -1.14 0.00 0.00 41.12 38.99 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 -0.31 4.58 0.45 0.11 0.52 0.38 -3.73 118.95 120.95 1we3 s ARG 14 Ca 0.00 1.32 0.08 0.00 -0.52 0.00 0.00 55.73 56.61 1we3 s ARG 14 Cb 0.00 -3.42 0.01 0.00 0.52 0.00 0.00 34.95 32.06 1we3 s ARG 14 CO 0.00 0.10 0.48 0.14 0.02 0.00 0.00 175.30 176.04 1we3 s VAL 15 N 0.50 2.61 -0.28 3.52 -7.23 -0.18 -3.03 120.40 116.31 1we3 s VAL 15 Ca 0.47 -1.21 -0.00 0.00 -1.81 0.00 0.00 61.98 59.42 1we3 s VAL 15 Cb -0.21 -2.83 0.08 0.00 0.56 0.00 0.00 36.38 33.98 1we3 s VAL 15 CO 0.27 0.00 0.05 -0.69 -0.31 0.00 0.00 175.10 174.42 1we3 s VAL 16 N -2.48 1.12 0.17 1.32 1.01 -0.96 -2.57 120.40 118.00 1we3 s VAL 16 Ca 0.50 -1.33 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1we3 s VAL 16 Cb -0.05 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1we3 s VAL 16 CO 0.30 -0.47 0.31 -0.69 0.00 0.00 0.00 175.10 174.55 1we3 s VAL 17 N 1.53 5.30 -0.33 2.92 1.01 -0.84 0.79 120.40 130.77 1we3 s VAL 17 Ca 0.05 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1we3 s VAL 17 Cb -0.18 -3.76 0.10 0.00 0.00 0.00 0.00 36.38 32.55 1we3 s VAL 17 CO -0.16 -0.13 0.07 -0.75 0.00 0.00 0.00 175.10 174.13 1we3 s LYS 18 N -3.35 1.21 0.56 2.72 2.36 -0.71 -0.74 119.74 121.78 1we3 s LYS 18 Ca 0.35 -1.60 -0.16 0.00 -2.55 0.00 0.00 55.97 52.01 1we3 s LYS 18 Cb -0.11 -2.75 -0.13 0.00 -1.05 0.00 0.00 37.83 33.79 1we3 s LYS 18 CO 0.29 -0.96 -0.27 0.54 1.55 0.00 0.00 175.35 176.49 1we3 n ARG 19 N 4.43 0.00 -4.03 4.03 1.74 -1.26 -3.19 116.66 118.39 1we3 n ARG 19 Ca 0.02 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.79 1we3 n ARG 19 Cb 0.42 -0.88 -0.16 0.00 -1.02 0.00 0.00 32.46 30.81 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 -1.77 1.70 0.26 0.55 1.01 -0.95 -4.84 121.20 117.16 1we3 s ILE 20 Ca 0.46 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.94 1we3 s ILE 20 Cb -0.37 -1.67 -0.10 0.00 0.01 0.00 0.00 42.46 40.34 1we3 s ILE 20 CO 0.62 0.33 1.33 -1.83 0.00 0.00 0.00 174.94 175.40 1we3 s GLU 21 N 1.40 4.36 0.77 2.79 1.03 -1.26 -4.60 118.70 123.19 1we3 s GLU 21 Ca 0.02 2.16 -0.12 0.00 0.03 0.00 0.00 54.97 57.05 1we3 s GLU 21 Cb -0.15 -3.13 0.06 0.00 -0.80 0.00 0.00 34.13 30.11 1we3 s GLU 21 CO -0.10 -0.25 1.13 -1.21 -1.33 0.00 0.00 175.26 173.50 1we3 s GLU 22 N -0.78 2.08 0.69 -4.83 8.01 -1.26 -4.95 118.70 117.66 1we3 s GLU 22 Ca 0.54 1.43 -0.16 0.00 0.01 0.00 0.00 54.97 56.79 1we3 s GLU 22 Cb -0.39 -1.86 -0.01 0.00 -4.31 0.00 0.00 34.13 27.56 1we3 s GLU 22 CO 0.44 -1.82 0.89 0.39 0.01 0.00 0.00 175.26 175.18 1we3 n GLU 23 N -3.25 0.56 -0.18 1.61 1.02 -1.26 -4.88 120.64 114.26 1we3 n GLU 23 Ca 0.11 0.24 0.01 0.00 -0.02 0.00 0.00 57.16 57.50 1we3 n GLU 23 Cb 0.52 -2.14 0.27 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 -0.10 0.91 0.00 3.49 0.13 -1.97 -3.44 132.00 131.03 1we3 h PRO 24 Ca -0.47 -0.06 -0.43 0.00 -0.87 0.00 0.00 66.00 64.17 1we3 h PRO 24 Cb 1.35 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1we3 h PRO 24 CO 0.47 0.61 -0.14 1.63 -0.23 0.00 0.00 178.00 180.34 1we3 n LYS 25 N -4.42 0.76 -1.70 0.86 5.02 -1.26 -2.05 118.16 115.37 1we3 n LYS 25 Ca 0.07 -2.66 0.00 0.00 -2.02 0.00 0.00 58.31 53.70 1we3 n LYS 25 Cb 0.04 0.07 0.00 0.00 -0.02 0.00 0.00 35.03 35.12 1we3 n LYS 25 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1we3 n THR 26 N -1.77 0.00 0.48 -0.18 -2.24 -1.17 -4.85 114.28 104.55 1we3 n THR 26 Ca 0.05 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.91 1we3 n THR 26 Cb 0.50 -0.19 0.32 0.00 -2.10 0.00 0.00 70.33 68.85 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 -0.18 0.01 0.00 -0.78 2.85 -1.26 -2.24 118.16 116.57 1we3 n LYS 27 Ca 0.00 0.27 0.08 0.00 -1.05 0.00 0.00 58.31 57.61 1we3 n LYS 27 Cb 0.00 -1.53 -0.06 0.00 -0.65 0.00 0.00 35.03 32.79 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 -0.04 -0.38 0.26 2.58 0.00 -1.26 -4.96 105.19 101.39 1we3 n GLY 28 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 1.34 0.37 3.55 -0.02 0.00 -0.95 -5.01 105.19 104.47 1we3 n GLY 29 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.12 3.22 -0.31 -0.61 1.01 -1.26 -4.60 121.20 116.53 1we3 s ILE 30 Ca 0.00 0.07 -0.28 0.00 0.00 0.00 0.00 60.65 60.44 1we3 s ILE 30 Cb 0.00 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 1we3 s ILE 30 CO 0.00 -0.55 2.20 -0.69 0.00 0.00 0.00 174.94 175.90 1we3 s VAL 31 N 10.64 3.08 0.50 2.92 1.01 -1.26 -3.05 120.40 134.23 1we3 s VAL 31 Ca 0.79 0.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.65 1we3 s VAL 31 Cb -0.14 -3.13 -0.08 0.00 0.00 0.00 0.00 36.38 33.04 1we3 s VAL 31 CO 0.20 -0.09 1.07 -0.76 0.00 0.00 0.00 175.10 175.51 1we3 s LEU 32 N 9.07 3.82 0.26 3.92 1.43 -0.87 -4.99 118.68 131.33 1we3 s LEU 32 Ca 0.96 2.01 -0.17 0.00 -1.03 0.00 0.00 54.13 55.90 1we3 s LEU 32 Cb -0.27 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.31 1we3 s LEU 32 CO 0.32 -0.91 0.71 -2.16 0.23 0.00 0.00 176.35 174.54 1we3 s PRO 33 N -3.23 4.11 0.00 1.29 0.04 -1.26 -4.91 135.00 131.04 1we3 s PRO 33 Ca 0.69 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1we3 s PRO 33 Cb -0.19 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.67 1we3 s PRO 33 CO 0.22 0.30 0.01 -0.25 0.04 0.00 0.00 177.00 177.32 1we3 n ASP 34 N 0.23 0.00 -0.02 6.66 8.00 -1.26 -0.43 116.55 129.73 1we3 n ASP 34 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 1we3 n ASP 34 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.54 1we3 n ASP 34 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1we3 n THR 35 N -0.48 0.22 0.08 -3.53 -1.04 -1.26 -4.63 114.28 103.64 1we3 n THR 35 Ca 0.00 -0.30 -0.22 0.00 -2.04 0.00 0.00 64.05 61.50 1we3 n THR 35 Cb 0.00 -0.07 -0.15 0.00 -1.82 0.00 0.00 70.33 68.29 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 0.80 -0.11 -2.18 2.41 0.00 -1.13 -3.45 119.26 115.60 1we3 h ALA 36 Ca -0.09 -0.75 -0.57 0.00 0.00 0.00 0.00 54.91 53.51 1we3 h ALA 36 Cb 0.86 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1we3 h ALA 36 CO 0.00 0.48 0.67 -1.59 0.00 0.00 0.00 179.25 178.81 1we3 s LYS 37 N -2.52 4.35 0.51 0.00 -2.85 -1.20 -5.05 119.74 112.99 1we3 s LYS 37 Ca -0.12 1.38 -0.06 0.00 -1.00 0.00 0.00 55.97 56.17 1we3 s LYS 37 Cb 0.02 -3.58 0.11 0.00 -2.06 0.00 0.00 37.83 32.32 1we3 s LYS 37 CO 0.87 -0.45 0.70 0.39 0.10 0.00 0.00 175.35 176.96 1we3 n GLU 38 N 5.56 -0.42 -2.18 1.78 4.71 -1.26 -4.97 120.64 123.87 1we3 n GLU 38 Ca 0.10 -1.31 -0.42 0.00 -0.01 0.00 0.00 57.16 55.53 1we3 n GLU 38 Cb 0.48 -0.64 -0.03 0.00 -1.01 0.00 0.00 31.44 30.23 1we3 n GLU 38 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1we3 s LYS 39 N -4.42 4.34 0.62 3.49 1.02 -1.26 -4.92 119.74 118.62 1we3 s LYS 39 Ca 0.41 2.09 -0.19 0.00 0.02 0.00 0.00 55.97 58.30 1we3 s LYS 39 Cb -0.01 -3.21 -0.03 0.00 -0.52 0.00 0.00 37.83 34.05 1we3 s LYS 39 CO 0.28 -0.36 1.21 -0.35 -0.92 0.00 0.00 175.35 175.22 1we3 n PRO 40 N 3.26 1.15 -0.65 -1.68 -0.04 -1.26 -4.92 135.00 130.85 1we3 n PRO 40 Ca 0.09 0.44 0.08 0.00 -0.04 0.00 0.00 63.50 64.07 1we3 n PRO 40 Cb 0.42 -2.44 0.34 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 -1.50 3.92 -4.50 0.54 6.02 -1.26 -4.76 117.38 115.84 1we3 n GLN 41 Ca 0.14 -2.94 -0.24 0.00 -0.01 0.00 0.00 57.00 53.96 1we3 n GLN 41 Cb 0.47 -1.99 -0.10 0.00 1.02 0.00 0.00 30.24 29.64 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 -2.43 1.71 0.00 -1.09 1.02 -1.25 -0.81 119.74 116.89 1we3 s LYS 42 Ca 0.48 -1.88 0.00 0.00 0.02 0.00 0.00 55.97 54.60 1we3 s LYS 42 Cb 0.35 -1.50 0.00 0.00 -0.52 0.00 0.00 37.83 36.17 1we3 s LYS 42 CO 0.16 0.11 0.00 0.41 -0.92 0.00 0.00 175.35 175.11 1we3 n GLY 43 N -0.71 2.75 3.84 -3.33 0.00 -1.03 -2.25 105.19 104.46 1we3 n GLY 43 Ca -0.05 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 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 3.93 0.18 1.61 1.02 -1.19 -0.36 119.74 122.93 1we3 s LYS 44 Ca 0.00 0.43 -0.30 0.00 0.02 0.00 0.00 55.97 56.12 1we3 s LYS 44 Cb 0.00 -3.21 -0.08 0.00 -0.52 0.00 0.00 37.83 34.03 1we3 s LYS 44 CO 0.00 0.68 1.12 0.08 -0.92 0.00 0.00 175.35 176.30 1we3 s VAL 45 N -1.10 3.83 -0.15 3.17 1.01 -0.58 -1.75 120.40 124.83 1we3 s VAL 45 Ca 0.25 1.57 0.02 0.00 0.00 0.00 0.00 61.98 63.82 1we3 s VAL 45 Cb -0.17 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1we3 s VAL 45 CO 0.14 0.26 0.19 -0.38 0.00 0.00 0.00 175.10 175.31 1we3 n ILE 46 N 2.42 0.00 -3.15 2.22 2.08 0.24 -2.21 119.36 120.96 1we3 n ILE 46 Ca 0.03 -0.45 0.05 0.00 0.56 0.00 0.00 62.75 62.94 1we3 n ILE 46 Cb 0.46 1.01 -0.00 0.00 -0.75 0.00 0.00 39.64 40.36 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 -1.05 -3.46 0.61 -1.39 0.00 -1.23 -4.97 121.76 110.27 1we3 s ALA 47 Ca 0.01 1.33 -0.09 0.00 0.00 0.00 0.00 51.96 53.21 1we3 s ALA 47 Cb 0.02 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.45 1we3 s ALA 47 CO 0.09 -1.87 0.98 0.08 0.00 0.00 0.00 175.76 175.04 1we3 s VAL 48 N 2.92 4.35 0.46 0.00 1.01 -1.26 -2.25 120.40 125.62 1we3 s VAL 48 Ca 0.18 0.54 0.03 0.00 0.00 0.00 0.00 61.98 62.73 1we3 s VAL 48 Cb -0.06 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1we3 s VAL 48 CO -0.21 -0.89 0.10 -0.83 0.00 0.00 0.00 175.10 173.27 1we3 s GLY 49 N -4.22 2.85 0.52 4.51 0.00 -1.17 -4.66 107.32 105.15 1we3 s GLY 49 Ca 0.54 -0.79 -0.18 0.00 0.00 0.00 0.00 44.72 44.29 1we3 s GLY 49 CO 0.51 -1.96 0.14 2.41 0.00 0.00 0.00 173.10 174.19 1we3 n THR 50 N -1.07 0.90 -1.37 0.90 -1.04 -1.26 -4.53 114.28 106.80 1we3 n THR 50 Ca -0.11 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.05 61.16 1we3 n THR 50 Cb 0.65 -0.27 0.18 0.00 -1.82 0.00 0.00 70.33 69.08 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 2.21 -2.03 3.70 3.41 0.00 -1.26 -0.27 105.19 110.96 1we3 n GLY 51 Ca 0.09 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 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 -5.20 4.44 -0.44 1.61 1.70 -1.11 -3.89 118.95 116.06 1we3 s ARG 52 Ca 0.59 1.09 -0.29 0.00 -0.47 0.00 0.00 55.73 56.66 1we3 s ARG 52 Cb -0.03 -3.48 0.01 0.00 -0.57 0.00 0.00 34.95 30.87 1we3 s ARG 52 CO 0.43 -0.07 1.41 0.08 -1.08 0.00 0.00 175.30 176.08 1we3 s VAL 53 N 1.20 3.89 1.25 4.99 1.01 -1.26 -2.41 120.40 129.07 1we3 s VAL 53 Ca 0.42 0.88 -0.21 0.00 0.00 0.00 0.00 61.98 63.07 1we3 s VAL 53 Cb -0.18 -4.24 0.31 0.00 0.00 0.00 0.00 36.38 32.27 1we3 s VAL 53 CO 0.20 -0.82 1.03 -0.11 0.00 0.00 0.00 175.10 175.39 1we3 n LEU 54 N 8.96 0.00 0.00 3.92 7.94 0.03 -4.87 117.00 132.98 1we3 n LEU 54 Ca 0.16 -1.08 0.13 0.00 -1.11 0.00 0.00 56.01 54.11 1we3 n LEU 54 Cb 0.48 -0.98 0.69 0.00 0.53 0.00 0.00 43.42 44.14 1we3 n LEU 54 CO 0.71 -2.28 0.94 -0.62 -1.11 0.00 0.00 177.39 175.02 1we3 n GLU 55 N -4.98 0.50 -0.70 1.96 1.02 -1.26 -2.53 120.64 114.66 1we3 n GLU 55 Ca 0.15 0.03 0.07 0.00 -0.02 0.00 0.00 57.16 57.38 1we3 n GLU 55 Cb 0.58 -1.50 0.33 0.00 -0.02 0.00 0.00 31.44 30.83 1we3 n GLU 55 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1we3 n ASN 56 N -1.20 4.78 -0.36 1.62 3.02 -1.26 -4.91 115.26 116.95 1we3 n ASN 56 Ca 0.14 -3.01 -0.05 0.00 -0.03 0.00 0.00 54.58 51.63 1we3 n ASN 56 Cb 0.17 -0.63 -0.02 0.00 -0.61 0.00 0.00 39.78 38.70 1we3 n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1we3 n GLY 57 N 0.01 0.54 3.61 7.41 0.00 -1.05 -4.95 105.19 110.76 1we3 n GLY 57 Ca 0.26 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.09 4.02 -0.63 1.61 -0.21 -1.26 -4.82 119.66 116.28 1we3 s GLN 58 Ca 0.00 0.04 -0.22 0.00 0.02 0.00 0.00 55.36 55.20 1we3 s GLN 58 Cb 0.00 -3.65 0.07 0.00 1.00 0.00 0.00 33.01 30.42 1we3 s GLN 58 CO 0.00 -0.27 0.93 1.03 -2.12 0.00 0.00 175.29 174.86 1we3 s ARG 59 N 2.05 3.14 -0.35 2.91 0.52 -1.26 -0.79 118.95 125.17 1we3 s ARG 59 Ca 0.15 -0.78 -0.29 0.00 -0.52 0.00 0.00 55.73 54.29 1we3 s ARG 59 Cb -0.16 -4.20 -0.00 0.00 0.52 0.00 0.00 34.95 31.11 1we3 s ARG 59 CO 0.10 -1.73 1.45 0.08 0.02 0.00 0.00 175.30 175.22 1we3 s VAL 60 N 3.91 3.89 0.78 3.52 1.01 -1.01 -4.72 120.40 127.79 1we3 s VAL 60 Ca 0.22 0.95 -0.13 0.00 0.00 0.00 0.00 61.98 63.02 1we3 s VAL 60 Cb -0.17 -4.06 0.07 0.00 0.00 0.00 0.00 36.38 32.22 1we3 s VAL 60 CO 0.11 -0.58 1.19 -2.16 0.00 0.00 0.00 175.10 173.66 1we3 s PRO 61 N 4.77 1.83 0.01 2.72 0.04 -1.26 -2.76 135.00 140.36 1we3 s PRO 61 Ca 0.63 1.68 -0.30 0.00 0.04 0.00 0.00 61.00 63.05 1we3 s PRO 61 Cb -0.17 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 1we3 s PRO 61 CO 0.30 -2.05 1.40 -0.51 0.04 0.00 0.00 177.00 176.17 1we3 s LEU 62 N -5.60 4.32 0.00 -3.56 1.43 -1.26 -4.87 118.68 109.14 1we3 s LEU 62 Ca 0.72 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.95 1we3 s LEU 62 Cb -0.27 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.39 1we3 s LEU 62 CO 0.49 -0.71 0.04 -0.62 0.23 0.00 0.00 176.35 175.79 1we3 n GLU 63 N 5.19 0.05 -4.98 1.70 1.02 -1.26 -4.56 120.64 117.79 1we3 n GLU 63 Ca 0.13 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.98 1we3 n GLU 63 Cb 0.44 -1.01 -0.17 0.00 -0.02 0.00 0.00 31.44 30.68 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 -1.73 1.69 0.60 2.62 1.01 -1.26 -5.11 120.40 118.22 1we3 s VAL 64 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 1we3 s VAL 64 Cb 0.00 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1we3 s VAL 64 CO 0.00 0.48 0.99 -0.54 0.00 0.00 0.00 175.10 176.03 1we3 s LYS 65 N 0.31 3.59 -1.08 2.72 1.02 -1.26 -4.93 119.74 120.10 1we3 s LYS 65 Ca -0.13 0.67 -0.20 0.00 0.02 0.00 0.00 55.97 56.33 1we3 s LYS 65 Cb -0.16 -2.12 -0.07 0.00 -0.52 0.00 0.00 37.83 34.96 1we3 s LYS 65 CO 0.06 -0.52 1.98 -1.91 -0.92 0.00 0.00 175.35 174.04 1we3 n GLU 66 N -2.68 2.07 0.00 1.68 2.13 -1.26 -3.16 120.64 119.42 1we3 n GLU 66 Ca 0.05 -2.32 0.00 0.00 0.66 0.00 0.00 57.16 55.56 1we3 n GLU 66 Cb 0.54 -3.22 0.00 0.00 0.27 0.00 0.00 31.44 29.03 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 4.73 -0.24 3.94 8.31 0.00 -0.94 -4.87 105.19 116.13 1we3 n GLY 67 Ca 0.49 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.27 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 5.40 -0.33 1.61 1.01 -1.19 -4.66 116.67 118.51 1we3 s ASP 68 Ca 0.00 0.38 -0.17 0.00 0.71 0.00 0.00 52.55 53.47 1we3 s ASP 68 Cb 0.00 -1.33 -0.01 0.00 1.01 0.00 0.00 42.92 42.59 1we3 s ASP 68 CO 0.00 -1.12 0.47 -0.63 0.21 0.00 0.00 175.17 174.10 1we3 s ILE 69 N -2.89 5.07 0.09 0.77 1.01 -1.26 -1.53 121.20 122.46 1we3 s ILE 69 Ca 0.55 0.37 0.05 0.00 0.00 0.00 0.00 60.65 61.62 1we3 s ILE 69 Cb -0.10 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1we3 s ILE 69 CO 0.42 -0.12 -0.03 -0.69 0.00 0.00 0.00 174.94 174.52 1we3 s VAL 70 N 2.27 3.84 -0.24 2.92 1.01 0.52 -0.15 120.40 130.58 1we3 s VAL 70 Ca 0.17 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1we3 s VAL 70 Cb -0.16 -2.82 0.03 0.00 0.00 0.00 0.00 36.38 33.44 1we3 s VAL 70 CO 0.12 0.13 -0.10 -0.69 0.00 0.00 0.00 175.10 174.56 1we3 s VAL 71 N -1.28 2.53 0.15 2.92 1.01 -0.17 -2.46 120.40 123.11 1we3 s VAL 71 Ca 0.24 -1.19 0.05 0.00 0.00 0.00 0.00 61.98 61.09 1we3 s VAL 71 Cb -0.12 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1we3 s VAL 71 CO 0.17 0.19 -0.11 0.72 0.00 0.00 0.00 175.10 176.07 1we3 s PHE 72 N 1.25 1.34 -0.99 5.22 -0.12 0.01 -0.30 117.98 124.40 1we3 s PHE 72 Ca -0.02 -0.72 -0.24 0.00 -0.05 0.00 0.00 56.93 55.91 1we3 s PHE 72 Cb -0.17 -0.67 -0.05 0.00 -0.63 0.00 0.00 43.02 41.50 1we3 s PHE 72 CO -0.06 0.13 1.93 0.00 -0.05 0.00 0.00 175.22 177.16 1we3 s ALA 73 N -3.19 1.74 0.22 1.99 0.00 -1.18 -4.64 121.76 116.70 1we3 s ALA 73 Ca 0.17 -1.72 0.17 0.00 0.00 0.00 0.00 51.96 50.59 1we3 s ALA 73 Cb 0.02 -4.59 0.60 0.00 0.00 0.00 0.00 23.12 19.14 1we3 s ALA 73 CO 0.02 -4.89 0.57 0.36 0.00 0.00 0.00 175.76 171.82 1we3 n LYS 74 N 8.69 0.00 -0.08 0.00 2.85 -1.26 -1.43 118.16 126.94 1we3 n LYS 74 Ca 0.41 0.41 -0.10 0.00 -1.05 0.00 0.00 58.31 57.98 1we3 n LYS 74 Cb 0.47 -0.96 0.05 0.00 -0.65 0.00 0.00 35.03 33.94 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 0.92 -2.66 5.58 -0.00 -1.95 -3.46 116.97 115.39 1we3 h TYR 75 Ca 0.32 -0.26 -0.45 0.00 0.00 0.00 0.00 58.73 58.35 1we3 h TYR 75 Cb 1.38 -0.20 0.07 0.00 0.00 0.00 0.00 36.73 37.98 1we3 h TYR 75 CO 0.00 1.02 0.08 0.20 -0.00 0.00 0.00 178.16 179.45 1we3 s GLY 76 N -3.91 1.78 0.00 0.10 0.00 -0.51 -5.00 107.32 99.77 1we3 s GLY 76 Ca -0.09 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.24 1we3 s GLY 76 CO 0.85 -0.97 0.00 0.61 0.00 0.00 0.00 173.10 173.59 1we3 n GLY 77 N -2.66 -1.95 3.73 0.20 0.00 -1.26 -4.96 105.19 98.29 1we3 n GLY 77 Ca 0.11 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 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 0.99 3.98 -4.76 2.61 -1.04 -1.17 -4.72 114.28 110.16 1we3 n THR 78 Ca 0.00 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.05 61.22 1we3 n THR 78 Cb 0.00 -1.60 -0.14 0.00 -1.82 0.00 0.00 70.33 66.77 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 -2.93 1.66 0.15 -2.82 2.02 -1.26 0.03 118.70 115.55 1we3 s GLU 79 Ca 0.73 -1.15 -0.15 0.00 0.02 0.00 0.00 54.97 54.43 1we3 s GLU 79 Cb -0.41 -1.90 0.02 0.00 0.10 0.00 0.00 34.13 31.94 1we3 s GLU 79 CO 0.48 0.48 0.41 0.42 0.02 0.00 0.00 175.26 177.07 1we3 s ILE 80 N -0.86 0.06 0.09 -1.63 1.09 -0.60 -4.97 121.20 114.38 1we3 s ILE 80 Ca 0.12 -0.80 0.10 0.00 -1.10 0.00 0.00 60.65 58.97 1we3 s ILE 80 Cb -0.10 -1.41 -0.04 0.00 -1.06 0.00 0.00 42.46 39.86 1we3 s ILE 80 CO 0.03 -0.27 -0.25 -0.70 -0.10 0.00 0.00 174.94 173.65 1we3 s GLU 81 N -3.85 1.65 -0.05 2.79 2.12 -1.25 0.05 118.70 120.15 1we3 s GLU 81 Ca 0.07 -1.21 -0.03 0.00 0.36 0.00 0.00 54.97 54.16 1we3 s GLU 81 Cb 0.01 -1.98 0.03 0.00 0.26 0.00 0.00 34.13 32.45 1we3 s GLU 81 CO -0.07 0.48 0.12 0.42 -0.54 0.00 0.00 175.26 175.67 1we3 s ILE 82 N -0.97 -0.03 -1.66 -3.70 1.01 0.32 -4.87 121.20 111.29 1we3 s ILE 82 Ca 0.14 0.12 -0.10 0.00 0.00 0.00 0.00 60.65 60.81 1we3 s ILE 82 Cb -0.10 -0.20 0.09 0.00 0.01 0.00 0.00 42.46 42.26 1we3 s ILE 82 CO 0.05 0.05 0.31 0.47 0.00 0.00 0.00 174.94 175.82 1we3 n ASP 83 N 3.78 -0.45 -1.70 3.58 9.92 -1.26 -2.19 116.55 128.22 1we3 n ASP 83 Ca -0.21 -1.22 -0.03 0.00 -0.53 0.00 0.00 54.79 52.80 1we3 n ASP 83 Cb 0.54 -1.84 0.01 0.00 -0.64 0.00 0.00 41.12 39.20 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 -1.92 0.48 0.00 0.44 0.00 -1.26 -5.04 105.19 97.89 1we3 n GLY 84 Ca -0.14 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1we3 n GLY 84 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1we3 n GLU 85 N -1.73 0.00 -4.65 1.61 1.02 -0.93 -5.17 120.64 110.79 1we3 n GLU 85 Ca -0.02 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.78 1we3 n GLU 85 Cb 0.52 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.83 1we3 n GLU 85 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1we3 s GLU 86 N -0.87 2.83 0.36 3.49 -1.05 -1.26 0.12 118.70 122.31 1we3 s GLU 86 Ca 0.00 -0.57 0.05 0.00 -0.15 0.00 0.00 54.97 54.30 1we3 s GLU 86 Cb 0.00 -2.59 -0.02 0.00 -0.44 0.00 0.00 34.13 31.08 1we3 s GLU 86 CO 0.00 0.60 0.17 0.66 0.95 0.00 0.00 175.26 177.64 1we3 n TYR 87 N 2.41 -0.11 -4.06 4.83 4.02 0.11 -4.73 117.16 119.63 1we3 n TYR 87 Ca -0.18 -2.45 -0.27 0.00 -0.01 0.00 0.00 57.90 54.99 1we3 n TYR 87 Cb 0.53 0.07 -0.17 0.00 -0.02 0.00 0.00 39.34 39.75 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 -3.03 1.20 -0.70 -0.72 1.01 0.08 -1.55 120.40 116.69 1we3 s VAL 88 Ca 0.24 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.57 1we3 s VAL 88 Cb 0.01 -1.17 0.07 0.00 0.00 0.00 0.00 36.38 35.29 1we3 s VAL 88 CO 0.17 0.39 1.03 -0.63 0.00 0.00 0.00 175.10 176.06 1we3 s ILE 89 N 1.47 4.25 0.22 2.22 1.01 0.11 -1.99 121.20 128.47 1we3 s ILE 89 Ca 0.02 -0.33 0.06 0.00 0.00 0.00 0.00 60.65 60.39 1we3 s ILE 89 Cb -0.13 -4.74 -0.04 0.00 0.01 0.00 0.00 42.46 37.57 1we3 s ILE 89 CO -0.07 -1.53 0.18 -0.76 0.00 0.00 0.00 174.94 172.76 1we3 s LEU 90 N 4.25 3.82 0.00 2.97 1.43 -1.06 -3.07 118.68 127.02 1we3 s LEU 90 Ca 0.25 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1we3 s LEU 90 Cb -0.14 -2.39 0.12 0.00 0.03 0.00 0.00 46.19 43.81 1we3 s LEU 90 CO 0.09 0.00 0.84 -1.20 0.23 0.00 0.00 176.35 176.32 1we3 n SER 91 N -0.87 1.07 0.14 2.29 7.64 -1.26 -1.01 113.62 121.62 1we3 n SER 91 Ca -0.08 -1.92 0.06 0.00 1.01 0.00 0.00 58.87 57.94 1we3 n SER 91 Cb 0.57 -0.55 0.05 0.00 -1.01 0.00 0.00 64.21 63.26 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 0.00 -0.21 1.43 4.81 -1.92 -3.10 114.58 115.59 1we3 h GLU 92 Ca -0.28 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 1we3 h GLU 92 Cb 1.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1we3 h GLU 92 CO 0.29 0.27 0.11 0.00 -0.73 0.00 0.00 179.01 178.95 1we3 h ARG 93 N 0.00 0.30 0.00 1.92 3.08 -1.94 -1.84 114.38 115.90 1we3 h ARG 93 Ca -0.03 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1we3 h ARG 93 Cb 1.26 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 1we3 h ARG 93 CO 0.04 0.29 -0.05 -0.44 -1.07 0.00 0.00 179.97 178.74 1we3 h ASP 94 N 0.23 0.00 -2.91 7.04 3.32 -1.94 -3.41 116.42 118.75 1we3 h ASP 94 Ca 0.07 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.56 1we3 h ASP 94 Cb 0.08 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1we3 h ASP 94 CO -0.01 0.05 0.87 -0.76 -1.72 0.00 0.00 179.24 177.68 1we3 s LEU 95 N -7.91 4.23 -0.17 1.55 1.43 -0.69 -3.07 118.68 114.05 1we3 s LEU 95 Ca -0.04 1.82 0.15 0.00 -1.03 0.00 0.00 54.13 55.02 1we3 s LEU 95 Cb 0.15 -3.54 -0.21 0.00 0.03 0.00 0.00 46.19 42.61 1we3 s LEU 95 CO 0.59 -0.74 0.05 0.18 0.23 0.00 0.00 176.35 176.66 1we3 n LEU 96 N 6.26 0.12 -3.88 1.79 4.77 0.59 -4.96 117.00 121.70 1we3 n LEU 96 Ca 0.14 -0.01 0.01 0.00 -0.03 0.00 0.00 56.01 56.12 1we3 n LEU 96 Cb 0.45 0.38 0.01 0.00 -2.33 0.00 0.00 43.42 41.92 1we3 n LEU 96 CO 0.57 0.45 1.02 0.00 -1.33 0.00 0.00 177.39 178.09 1we3 s ALA 97 N -2.42 -2.21 0.02 -1.18 0.00 -0.96 -4.99 121.76 110.02 1we3 s ALA 97 Ca -0.09 0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.01 1we3 s ALA 97 Cb 0.05 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 1we3 s ALA 97 CO 0.70 -1.11 -0.10 0.08 0.00 0.00 0.00 175.76 175.33 1we3 s VAL 98 N -2.18 0.81 -0.27 0.00 1.01 -1.26 -1.00 120.40 117.51 1we3 s VAL 98 Ca 0.24 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.34 1we3 s VAL 98 Cb 0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1we3 s VAL 98 CO -0.00 0.01 0.29 -0.76 0.00 0.00 0.00 175.10 174.64 1we3 s LEU 99 N -0.82 4.03 0.00 3.92 1.02 0.79 -4.97 118.68 122.65 1we3 s LEU 99 Ca 0.00 0.16 0.20 0.00 0.02 0.00 0.00 54.13 54.50 1we3 s LEU 99 Cb -0.06 -2.29 0.15 0.00 0.02 0.00 0.00 46.19 44.02 1we3 s LEU 99 CO 0.00 -0.12 1.12 1.67 0.02 0.00 0.00 176.35 179.05