#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1we3 n THR 6 N 0.00 0.00 -3.67 0.58 -2.24 -1.26 -5.17 114.28 102.52 1we3 n THR 6 Ca 0.00 -0.89 -0.09 0.00 -2.27 0.00 0.00 64.05 60.80 1we3 n THR 6 Cb 0.00 0.72 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 1we3 n THR 6 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1we3 s VAL 7 N -2.49 -0.45 0.10 2.28 1.01 -1.26 -5.15 120.40 114.45 1we3 s VAL 7 Ca 0.14 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 1we3 s VAL 7 Cb -0.02 -0.65 -0.06 0.00 0.00 0.00 0.00 36.38 35.64 1we3 s VAL 7 CO 0.11 0.06 1.10 -0.63 0.00 0.00 0.00 175.10 175.73 1we3 s ILE 8 N 2.23 4.15 -0.71 2.22 1.09 -1.26 -5.01 121.20 123.91 1we3 s ILE 8 Ca -0.04 1.69 0.01 0.00 -1.10 0.00 0.00 60.65 61.21 1we3 s ILE 8 Cb -0.11 -4.08 0.18 0.00 -1.06 0.00 0.00 42.46 37.39 1we3 s ILE 8 CO -0.13 0.21 0.52 -0.54 -0.10 0.00 0.00 174.94 174.91 1we3 s LYS 9 N 0.36 2.64 1.19 2.79 1.02 -1.26 -4.84 119.74 121.64 1we3 s LYS 9 Ca 0.53 -3.03 -0.16 0.00 0.02 0.00 0.00 55.97 53.33 1we3 s LYS 9 Cb -0.27 -3.63 0.23 0.00 -0.52 0.00 0.00 37.83 33.64 1we3 s LYS 9 CO 0.31 -1.22 0.58 -0.35 -0.92 0.00 0.00 175.35 173.75 1we3 n PRO 10 N 2.60 -2.43 0.00 -1.68 -0.04 -1.26 -5.04 135.00 127.15 1we3 n PRO 10 Ca 0.15 -0.69 0.00 0.00 -0.04 0.00 0.00 63.50 62.92 1we3 n PRO 10 Cb 0.36 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 1we3 n PRO 10 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1we3 n LEU 11 N -3.68 0.00 0.00 1.53 4.77 -1.26 -4.31 117.00 114.05 1we3 n LEU 11 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1we3 n LEU 11 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1we3 n LEU 11 CO 0.53 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1we3 n GLY 12 N 2.48 0.61 1.57 -0.72 0.00 -1.26 0.03 105.19 107.91 1we3 n GLY 12 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 0.02 5.03 -4.76 1.61 5.68 -1.26 -1.35 116.55 121.52 1we3 n ASP 13 Ca 0.00 -3.00 -0.41 0.00 -0.50 0.00 0.00 54.79 50.87 1we3 n ASP 13 Cb 0.00 -0.65 -0.01 0.00 -1.14 0.00 0.00 41.12 39.32 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 -2.82 4.13 0.41 0.11 0.52 0.10 -3.70 118.95 117.70 1we3 s ARG 14 Ca 0.51 2.56 0.07 0.00 -0.52 0.00 0.00 55.73 58.35 1we3 s ARG 14 Cb 0.40 -3.02 -0.06 0.00 0.52 0.00 0.00 34.95 32.79 1we3 s ARG 14 CO 0.13 -0.60 0.12 0.08 0.02 0.00 0.00 175.30 175.06 1we3 s VAL 15 N -0.22 2.22 -0.32 3.52 1.01 0.09 -2.02 120.40 124.69 1we3 s VAL 15 Ca 0.61 -1.80 -0.00 0.00 0.00 0.00 0.00 61.98 60.79 1we3 s VAL 15 Cb -0.47 -2.99 0.10 0.00 0.00 0.00 0.00 36.38 33.02 1we3 s VAL 15 CO 0.50 -0.01 0.10 -0.69 0.00 0.00 0.00 175.10 175.01 1we3 s VAL 16 N -2.63 1.02 0.22 2.92 1.01 -0.93 -2.85 120.40 119.16 1we3 s VAL 16 Ca 0.39 -1.55 -0.02 0.00 0.00 0.00 0.00 61.98 60.80 1we3 s VAL 16 Cb 0.06 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1we3 s VAL 16 CO 0.21 -0.69 0.42 -0.69 0.00 0.00 0.00 175.10 174.36 1we3 s VAL 17 N 1.47 5.16 -0.33 2.92 1.01 -0.89 0.12 120.40 129.87 1we3 s VAL 17 Ca 0.10 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1we3 s VAL 17 Cb -0.18 -3.73 0.10 0.00 0.00 0.00 0.00 36.38 32.57 1we3 s VAL 17 CO -0.22 -0.19 0.06 -0.75 0.00 0.00 0.00 175.10 174.00 1we3 s LYS 18 N -3.33 1.34 0.60 2.72 2.36 -0.32 -1.18 119.74 121.94 1we3 s LYS 18 Ca 0.40 -1.73 -0.16 0.00 -2.55 0.00 0.00 55.97 51.93 1we3 s LYS 18 Cb -0.11 -2.98 -0.14 0.00 -1.05 0.00 0.00 37.83 33.55 1we3 s LYS 18 CO 0.29 -0.95 -0.31 0.54 1.55 0.00 0.00 175.35 176.47 1we3 n ARG 19 N 4.36 0.00 -4.02 4.03 1.74 -1.26 -2.79 116.66 118.72 1we3 n ARG 19 Ca 0.03 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.80 1we3 n ARG 19 Cb 0.42 -0.91 -0.16 0.00 -1.02 0.00 0.00 32.46 30.79 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 -1.83 1.69 0.24 0.55 1.01 -0.77 -4.81 121.20 117.28 1we3 s ILE 20 Ca 0.47 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.95 1we3 s ILE 20 Cb -0.36 -1.67 -0.09 0.00 0.01 0.00 0.00 42.46 40.35 1we3 s ILE 20 CO 0.65 0.33 1.24 -1.83 0.00 0.00 0.00 174.94 175.33 1we3 s GLU 21 N 1.41 4.45 0.78 2.79 1.03 -1.26 -4.59 118.70 123.31 1we3 s GLU 21 Ca 0.02 2.01 -0.11 0.00 0.03 0.00 0.00 54.97 56.91 1we3 s GLU 21 Cb -0.15 -3.17 0.06 0.00 -0.80 0.00 0.00 34.13 30.08 1we3 s GLU 21 CO -0.10 -0.11 1.12 -1.21 -1.33 0.00 0.00 175.26 173.63 1we3 s GLU 22 N -0.82 2.07 0.74 -4.83 8.01 -1.26 -4.95 118.70 117.66 1we3 s GLU 22 Ca 0.51 1.33 -0.16 0.00 0.01 0.00 0.00 54.97 56.67 1we3 s GLU 22 Cb -0.36 -1.86 0.00 0.00 -4.31 0.00 0.00 34.13 27.60 1we3 s GLU 22 CO 0.42 -1.81 0.84 0.39 0.01 0.00 0.00 175.26 175.11 1we3 n GLU 23 N -3.43 0.37 -0.09 1.61 1.02 -1.26 -4.90 120.64 113.96 1we3 n GLU 23 Ca 0.10 0.18 -0.07 0.00 -0.02 0.00 0.00 57.16 57.35 1we3 n GLU 23 Cb 0.52 -2.11 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 1we3 n GLU 23 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1we3 h PRO 24 N -0.43 0.26 0.00 3.49 0.11 -1.97 -3.44 132.00 130.02 1we3 h PRO 24 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1we3 h PRO 24 Cb 1.33 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1we3 h PRO 24 CO 0.45 0.17 0.00 1.63 -0.21 0.00 0.00 178.00 180.04 1we3 n LYS 25 N -5.01 1.20 -1.57 1.05 5.02 -1.26 -3.06 118.16 114.52 1we3 n LYS 25 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1we3 n LYS 25 Cb 0.11 0.00 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 -0.93 0.00 0.26 -0.18 -2.24 -1.24 -4.87 114.28 105.07 1we3 n THR 26 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1we3 n THR 26 Cb 0.00 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.39 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 0.00 0.00 0.00 -0.78 2.85 -1.26 -2.73 118.16 116.24 1we3 n LYS 27 Ca 0.00 0.37 0.03 0.00 -1.05 0.00 0.00 58.31 57.65 1we3 n LYS 27 Cb 0.00 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 32.88 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 -0.72 -0.13 0.00 2.58 0.00 -1.26 -5.01 105.19 100.65 1we3 n GLY 28 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.75 2.71 3.57 -0.02 0.00 -1.11 -5.04 105.19 106.06 1we3 n GLY 29 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.66 3.04 -0.11 -0.61 1.01 -1.26 -4.66 121.20 115.95 1we3 s ILE 30 Ca 0.00 0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.39 1we3 s ILE 30 Cb 0.00 -3.09 -0.06 0.00 0.01 0.00 0.00 42.46 39.32 1we3 s ILE 30 CO 0.00 -0.08 1.95 -0.69 0.00 0.00 0.00 174.94 176.13 1we3 s VAL 31 N 10.62 3.20 0.33 2.92 1.01 -1.26 -3.67 120.40 133.53 1we3 s VAL 31 Ca 0.96 0.22 -0.18 0.00 0.00 0.00 0.00 61.98 62.99 1we3 s VAL 31 Cb -0.22 -3.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.88 1we3 s VAL 31 CO 0.29 -0.07 0.79 -0.76 0.00 0.00 0.00 175.10 175.35 1we3 s LEU 32 N 5.84 4.10 0.21 3.92 1.43 -1.17 -5.03 118.68 127.98 1we3 s LEU 32 Ca 0.88 1.42 -0.29 0.00 -1.03 0.00 0.00 54.13 55.11 1we3 s LEU 32 Cb -0.35 -4.09 -0.09 0.00 0.03 0.00 0.00 46.19 41.69 1we3 s LEU 32 CO 0.36 -0.19 0.90 -2.16 0.23 0.00 0.00 176.35 175.49 1we3 s PRO 33 N -2.80 4.77 0.00 1.29 0.04 -1.26 -4.90 135.00 132.14 1we3 s PRO 33 Ca 0.54 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1we3 s PRO 33 Cb -0.11 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1we3 s PRO 33 CO 0.17 0.52 0.22 -0.40 0.04 0.00 0.00 177.00 177.55 1we3 n ASP 34 N 1.59 0.63 0.00 6.66 5.75 -1.26 -0.30 116.55 129.62 1we3 n ASP 34 Ca -0.03 -0.50 0.00 0.00 -0.01 0.00 0.00 54.79 54.25 1we3 n ASP 34 Cb 0.48 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 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 0.75 0.00 0.08 2.12 -1.04 -1.26 -4.72 114.28 110.21 1we3 n THR 35 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 1we3 n THR 35 Cb 0.11 -0.76 -0.13 0.00 -1.82 0.00 0.00 70.33 67.73 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 0.00 -0.02 -2.18 2.41 0.00 -1.04 -3.44 119.26 115.00 1we3 h ALA 36 Ca 0.00 -0.75 -0.57 0.00 0.00 0.00 0.00 54.91 53.59 1we3 h ALA 36 Cb 0.81 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1we3 h ALA 36 CO 0.00 0.62 0.69 -1.59 0.00 0.00 0.00 179.25 178.96 1we3 s LYS 37 N -2.93 4.34 0.67 0.00 -2.85 -1.19 -5.04 119.74 112.74 1we3 s LYS 37 Ca -0.10 1.40 0.04 0.00 -1.00 0.00 0.00 55.97 56.31 1we3 s LYS 37 Cb 0.05 -3.59 0.12 0.00 -2.06 0.00 0.00 37.83 32.34 1we3 s LYS 37 CO 0.91 -0.47 0.92 -1.83 0.10 0.00 0.00 175.35 174.98 1we3 s GLU 38 N 2.60 1.89 0.24 1.78 1.03 -1.26 -4.94 118.70 120.04 1we3 s GLU 38 Ca 0.47 -1.43 -0.31 0.00 0.03 0.00 0.00 54.97 53.73 1we3 s GLU 38 Cb -0.17 -2.47 -0.13 0.00 -0.80 0.00 0.00 34.13 30.55 1we3 s GLU 38 CO 0.13 -1.24 1.44 1.63 -1.33 0.00 0.00 175.26 175.88 1we3 n LYS 39 N -2.60 2.12 -1.76 -4.83 5.02 -1.26 -4.94 118.16 109.92 1we3 n LYS 39 Ca 0.16 0.75 -0.38 0.00 -2.02 0.00 0.00 58.31 56.83 1we3 n LYS 39 Cb 0.61 -2.43 0.06 0.00 -0.02 0.00 0.00 35.03 33.25 1we3 n LYS 39 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1we3 s PRO 40 N -0.35 2.78 -0.13 1.97 0.04 -1.26 -4.92 135.00 133.13 1we3 s PRO 40 Ca 0.68 2.14 0.16 0.00 0.04 0.00 0.00 61.00 64.03 1we3 s PRO 40 Cb -0.63 -2.01 0.64 0.00 0.04 0.00 0.00 34.50 32.54 1we3 s PRO 40 CO 0.49 -1.44 1.56 1.04 0.04 0.00 0.00 177.00 178.68 1we3 n GLN 41 N -1.56 3.61 -4.46 4.56 6.02 -1.26 -4.71 117.38 119.59 1we3 n GLN 41 Ca 0.14 -2.80 -0.23 0.00 -0.01 0.00 0.00 57.00 54.10 1we3 n GLN 41 Cb 0.47 -1.85 -0.10 0.00 1.02 0.00 0.00 30.24 29.78 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 -2.04 1.62 0.00 -1.09 1.02 -1.26 -1.05 119.74 116.94 1we3 s LYS 42 Ca 0.46 -1.80 0.00 0.00 0.02 0.00 0.00 55.97 54.65 1we3 s LYS 42 Cb 0.31 -1.38 0.00 0.00 -0.52 0.00 0.00 37.83 36.24 1we3 s LYS 42 CO 0.19 0.12 0.00 0.41 -0.92 0.00 0.00 175.35 175.15 1we3 n GLY 43 N -0.62 2.41 3.87 -3.33 0.00 -1.09 -1.85 105.19 104.57 1we3 n GLY 43 Ca -0.06 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 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 3.62 0.17 1.61 1.02 -1.12 -0.59 119.74 122.44 1we3 s LYS 44 Ca 0.00 0.06 -0.30 0.00 0.02 0.00 0.00 55.97 55.75 1we3 s LYS 44 Cb 0.00 -3.19 -0.08 0.00 -0.52 0.00 0.00 37.83 34.05 1we3 s LYS 44 CO 0.00 0.73 1.21 0.08 -0.92 0.00 0.00 175.35 176.45 1we3 s VAL 45 N -1.08 3.62 -0.15 3.17 1.01 -0.60 -1.17 120.40 125.19 1we3 s VAL 45 Ca 0.20 1.32 0.03 0.00 0.00 0.00 0.00 61.98 63.52 1we3 s VAL 45 Cb -0.14 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1we3 s VAL 45 CO 0.09 0.19 0.17 -0.38 0.00 0.00 0.00 175.10 175.17 1we3 n ILE 46 N 2.75 0.00 -3.15 2.22 2.08 0.33 -1.88 119.36 121.72 1we3 n ILE 46 Ca 0.05 -0.45 0.05 0.00 0.56 0.00 0.00 62.75 62.97 1we3 n ILE 46 Cb 0.45 1.01 -0.01 0.00 -0.75 0.00 0.00 39.64 40.33 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 -1.13 -3.07 0.42 -1.39 0.00 -1.23 -4.95 121.76 110.41 1we3 s ALA 47 Ca 0.01 1.52 -0.16 0.00 0.00 0.00 0.00 51.96 53.33 1we3 s ALA 47 Cb 0.02 -2.44 -0.09 0.00 0.00 0.00 0.00 23.12 20.61 1we3 s ALA 47 CO 0.10 -1.52 0.86 0.08 0.00 0.00 0.00 175.76 175.29 1we3 s VAL 48 N 2.92 4.59 0.52 0.00 1.01 -1.26 -2.18 120.40 126.00 1we3 s VAL 48 Ca 0.09 1.09 0.08 0.00 0.00 0.00 0.00 61.98 63.24 1we3 s VAL 48 Cb -0.11 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.66 1we3 s VAL 48 CO -0.16 -0.43 0.60 -0.83 0.00 0.00 0.00 175.10 174.28 1we3 s GLY 49 N -2.65 2.00 0.00 4.51 0.00 -0.86 -4.61 107.32 105.71 1we3 s GLY 49 Ca 0.57 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 43.48 1we3 s GLY 49 CO 0.23 -1.74 0.53 -0.37 0.00 0.00 0.00 173.10 171.76 1we3 n THR 50 N -1.96 0.51 0.00 0.90 5.66 -1.22 -4.68 114.28 113.50 1we3 n THR 50 Ca 0.08 0.18 0.00 0.00 -3.05 0.00 0.00 64.05 61.26 1we3 n THR 50 Cb 0.62 -1.18 0.00 0.00 -1.55 0.00 0.00 70.33 68.22 1we3 n THR 50 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1we3 n GLY 51 N -1.03 -2.34 3.68 1.09 0.00 -0.46 -4.82 105.19 101.31 1we3 n GLY 51 Ca 0.00 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 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 -4.26 4.36 -0.67 1.61 1.70 -1.08 -4.37 118.95 116.24 1we3 s ARG 52 Ca 0.00 1.43 -0.26 0.00 -0.47 0.00 0.00 55.73 56.43 1we3 s ARG 52 Cb 0.00 -3.58 -0.02 0.00 -0.57 0.00 0.00 34.95 30.78 1we3 s ARG 52 CO 0.00 -0.44 1.81 0.08 -1.08 0.00 0.00 175.30 175.68 1we3 s VAL 53 N 2.44 3.41 0.61 4.99 1.01 -1.26 -2.68 120.40 128.91 1we3 s VAL 53 Ca 0.48 0.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.50 1we3 s VAL 53 Cb -0.18 -4.06 0.15 0.00 0.00 0.00 0.00 36.38 32.29 1we3 s VAL 53 CO 0.15 -1.02 0.34 -0.11 0.00 0.00 0.00 175.10 174.46 1we3 n LEU 54 N 12.55 0.00 0.23 3.92 7.94 0.07 -4.82 117.00 136.88 1we3 n LEU 54 Ca 0.22 -0.34 0.12 0.00 -1.11 0.00 0.00 56.01 54.89 1we3 n LEU 54 Cb 0.51 -0.42 0.46 0.00 0.53 0.00 0.00 43.42 44.49 1we3 n LEU 54 CO 0.69 -2.02 0.84 -0.08 -1.11 0.00 0.00 177.39 175.71 1we3 h GLU 55 N 0.00 0.00 -0.97 1.96 4.81 -1.93 -3.05 114.58 115.40 1we3 h GLU 55 Ca -0.15 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.53 1we3 h GLU 55 Cb 0.52 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 29.60 1we3 h GLU 55 CO 0.09 0.14 0.67 0.09 -0.73 0.00 0.00 179.01 179.27 1we3 n ASN 56 N -3.24 4.64 -0.03 1.04 3.02 -1.26 -4.88 115.26 114.55 1we3 n ASN 56 Ca 0.01 -3.66 -0.00 0.00 -0.03 0.00 0.00 54.58 50.89 1we3 n ASN 56 Cb 0.43 -0.86 -0.00 0.00 -0.61 0.00 0.00 39.78 38.74 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 -1.09 0.03 3.64 7.41 0.00 -1.15 -4.91 105.19 109.11 1we3 n GLY 57 Ca 0.59 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.83 4.15 -0.67 1.61 -0.21 -1.26 -4.79 119.66 116.65 1we3 s GLN 58 Ca 0.00 0.78 -0.21 0.00 0.02 0.00 0.00 55.36 55.95 1we3 s GLN 58 Cb 0.00 -3.65 0.09 0.00 1.00 0.00 0.00 33.01 30.44 1we3 s GLN 58 CO 0.00 -0.49 0.92 1.03 -2.12 0.00 0.00 175.29 174.63 1we3 s ARG 59 N 2.73 3.15 -0.13 2.91 0.52 -1.26 -0.75 118.95 126.11 1we3 s ARG 59 Ca 0.32 -1.06 -0.29 0.00 -0.52 0.00 0.00 55.73 54.17 1we3 s ARG 59 Cb -0.15 -4.32 -0.03 0.00 0.52 0.00 0.00 34.95 30.97 1we3 s ARG 59 CO 0.08 -1.75 1.51 0.08 0.02 0.00 0.00 175.30 175.24 1we3 s VAL 60 N 3.57 3.85 0.50 3.52 1.01 -1.09 -4.83 120.40 126.92 1we3 s VAL 60 Ca 0.21 1.02 -0.21 0.00 0.00 0.00 0.00 61.98 62.99 1we3 s VAL 60 Cb -0.17 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 1we3 s VAL 60 CO 0.07 -0.14 1.13 -2.16 0.00 0.00 0.00 175.10 174.00 1we3 s PRO 61 N 3.98 3.60 0.14 2.72 0.04 -1.26 -2.65 135.00 141.57 1we3 s PRO 61 Ca 0.66 1.65 -0.31 0.00 0.04 0.00 0.00 61.00 63.04 1we3 s PRO 61 Cb -0.27 -2.21 -0.10 0.00 0.04 0.00 0.00 34.50 31.96 1we3 s PRO 61 CO 0.24 -0.65 1.71 -0.51 0.04 0.00 0.00 177.00 177.82 1we3 s LEU 62 N -3.39 4.38 0.00 -3.56 1.43 -1.26 -4.83 118.68 111.44 1we3 s LEU 62 Ca 0.68 2.69 0.01 0.00 -1.03 0.00 0.00 54.13 56.48 1we3 s LEU 62 Cb -0.25 -3.58 0.08 0.00 0.03 0.00 0.00 46.19 42.47 1we3 s LEU 62 CO 0.30 -0.93 0.32 -0.62 0.23 0.00 0.00 176.35 175.64 1we3 n GLU 63 N 4.90 0.16 -4.54 1.70 1.02 -1.26 -4.57 120.64 118.06 1we3 n GLU 63 Ca 0.16 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.97 1we3 n GLU 63 Cb 0.38 -1.12 -0.16 0.00 -0.02 0.00 0.00 31.44 30.52 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 -2.00 2.36 0.67 2.62 1.01 -1.26 -5.11 120.40 118.69 1we3 s VAL 64 Ca 0.02 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1we3 s VAL 64 Cb 0.01 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 1we3 s VAL 64 CO 0.02 0.53 1.05 -0.54 0.00 0.00 0.00 175.10 176.16 1we3 s LYS 65 N 0.87 3.15 -1.21 2.72 1.02 -1.26 -4.90 119.74 120.13 1we3 s LYS 65 Ca -0.05 0.93 -0.21 0.00 0.02 0.00 0.00 55.97 56.66 1we3 s LYS 65 Cb -0.15 -2.02 -0.00 0.00 -0.52 0.00 0.00 37.83 35.14 1we3 s LYS 65 CO -0.02 -0.93 1.81 -2.00 -0.92 0.00 0.00 175.35 173.29 1we3 s GLU 66 N -4.98 3.26 0.00 1.68 2.12 -1.26 -3.16 118.70 116.36 1we3 s GLU 66 Ca 0.58 -1.51 0.00 0.00 0.36 0.00 0.00 54.97 54.40 1we3 s GLU 66 Cb -0.13 -5.38 0.00 0.00 0.26 0.00 0.00 34.13 28.88 1we3 s GLU 66 CO 0.53 -3.05 0.00 0.41 -0.54 0.00 0.00 175.26 172.61 1we3 n GLY 67 N 5.74 -0.74 3.92 -1.50 0.00 -0.78 -4.90 105.19 106.92 1we3 n GLY 67 Ca 0.46 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.21 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 4.99 -0.49 1.61 1.01 -1.19 -4.61 116.67 117.99 1we3 s ASP 68 Ca 0.00 0.58 -0.18 0.00 0.71 0.00 0.00 52.55 53.66 1we3 s ASP 68 Cb 0.00 -1.30 0.06 0.00 1.01 0.00 0.00 42.92 42.69 1we3 s ASP 68 CO 0.00 -1.50 0.55 -0.63 0.21 0.00 0.00 175.17 173.80 1we3 s ILE 69 N -3.23 4.98 0.00 0.77 1.01 -1.26 -1.57 121.20 121.90 1we3 s ILE 69 Ca 0.59 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 60.63 1we3 s ILE 69 Cb -0.11 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 1we3 s ILE 69 CO 0.46 -0.71 0.16 -0.69 0.00 0.00 0.00 174.94 174.16 1we3 s VAL 70 N 2.36 5.24 -0.23 2.92 1.01 0.24 -0.07 120.40 131.87 1we3 s VAL 70 Ca 0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1we3 s VAL 70 Cb -0.20 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1we3 s VAL 70 CO 0.11 0.31 -0.06 -0.69 0.00 0.00 0.00 175.10 174.77 1we3 s VAL 71 N -1.31 3.06 0.08 2.92 1.01 -0.06 -2.67 120.40 123.44 1we3 s VAL 71 Ca 0.27 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1we3 s VAL 71 Cb -0.12 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1we3 s VAL 71 CO 0.18 0.33 -0.08 0.72 0.00 0.00 0.00 175.10 176.26 1we3 s PHE 72 N 1.40 0.87 -1.00 5.22 -0.12 -0.21 0.10 117.98 124.24 1we3 s PHE 72 Ca 0.03 -0.76 -0.24 0.00 -0.05 0.00 0.00 56.93 55.92 1we3 s PHE 72 Cb -0.15 -0.50 -0.08 0.00 -0.63 0.00 0.00 43.02 41.66 1we3 s PHE 72 CO -0.05 -0.10 1.98 0.00 -0.05 0.00 0.00 175.22 177.01 1we3 s ALA 73 N -2.82 1.58 0.15 1.99 0.00 -1.20 -4.61 121.76 116.86 1we3 s ALA 73 Ca 0.05 -1.68 0.14 0.00 0.00 0.00 0.00 51.96 50.47 1we3 s ALA 73 Cb -0.00 -4.61 0.48 0.00 0.00 0.00 0.00 23.12 18.99 1we3 s ALA 73 CO -0.02 -5.14 0.44 0.36 0.00 0.00 0.00 175.76 171.39 1we3 n LYS 74 N 8.62 -0.00 0.02 0.00 2.85 -1.26 -1.23 118.16 127.17 1we3 n LYS 74 Ca 0.42 0.31 -0.03 0.00 -1.05 0.00 0.00 58.31 57.96 1we3 n LYS 74 Cb 0.46 -0.71 0.21 0.00 -0.65 0.00 0.00 35.03 34.35 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 0.51 -2.31 5.58 -0.00 -1.94 -3.46 116.97 115.35 1we3 h TYR 75 Ca 0.26 -0.11 -0.45 0.00 0.00 0.00 0.00 58.73 58.44 1we3 h TYR 75 Cb 1.04 -0.12 0.05 0.00 0.00 0.00 0.00 36.73 37.70 1we3 h TYR 75 CO -0.00 0.68 -0.02 0.20 -0.00 0.00 0.00 178.16 179.02 1we3 s GLY 76 N -4.03 1.81 0.00 0.10 0.00 -0.36 -5.01 107.32 99.83 1we3 s GLY 76 Ca -0.07 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.19 1we3 s GLY 76 CO 0.79 -1.12 0.00 0.61 0.00 0.00 0.00 173.10 173.38 1we3 n GLY 77 N -2.42 -2.62 3.63 0.20 0.00 -1.26 -4.95 105.19 97.77 1we3 n GLY 77 Ca 0.10 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 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 0.21 0.02 -4.23 2.61 -1.04 -1.21 -4.74 114.28 105.90 1we3 n THR 78 Ca 0.00 -0.03 -0.17 0.00 -2.04 0.00 0.00 64.05 61.81 1we3 n THR 78 Cb 0.00 -0.94 -0.13 0.00 -1.82 0.00 0.00 70.33 67.44 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 -4.47 0.66 0.10 -2.82 2.02 -1.26 -0.83 118.70 112.09 1we3 s GLU 79 Ca 0.65 -0.53 -0.16 0.00 0.02 0.00 0.00 54.97 54.95 1we3 s GLU 79 Cb -0.23 -0.59 0.03 0.00 0.10 0.00 0.00 34.13 33.44 1we3 s GLU 79 CO 0.59 0.15 0.40 0.42 0.02 0.00 0.00 175.26 176.84 1we3 s ILE 80 N -0.68 0.07 0.18 -1.63 1.09 0.29 -4.97 121.20 115.55 1we3 s ILE 80 Ca -0.01 -0.56 0.08 0.00 -1.10 0.00 0.00 60.65 59.06 1we3 s ILE 80 Cb -0.06 -1.10 -0.04 0.00 -1.06 0.00 0.00 42.46 40.20 1we3 s ILE 80 CO 0.00 -0.31 -0.04 -0.70 -0.10 0.00 0.00 174.94 173.80 1we3 s GLU 81 N -3.34 2.28 -0.17 2.79 2.12 -1.26 0.13 118.70 121.24 1we3 s GLU 81 Ca 0.00 -1.17 -0.07 0.00 0.36 0.00 0.00 54.97 54.09 1we3 s GLU 81 Cb 0.01 -2.28 0.08 0.00 0.26 0.00 0.00 34.13 32.19 1we3 s GLU 81 CO -0.09 0.45 0.38 0.42 -0.54 0.00 0.00 175.26 175.88 1we3 s ILE 82 N -1.72 -0.41 -1.49 -3.70 1.01 0.33 -4.89 121.20 110.33 1we3 s ILE 82 Ca 0.27 0.17 -0.08 0.00 0.00 0.00 0.00 60.65 61.00 1we3 s ILE 82 Cb -0.09 -0.60 0.06 0.00 0.01 0.00 0.00 42.46 41.84 1we3 s ILE 82 CO 0.17 0.07 0.74 0.47 0.00 0.00 0.00 174.94 176.39 1we3 n ASP 83 N 5.01 -2.59 -2.22 3.58 9.92 -1.26 -3.13 116.55 125.86 1we3 n ASP 83 Ca -0.13 -0.89 -0.03 0.00 -0.53 0.00 0.00 54.79 53.20 1we3 n ASP 83 Cb 0.51 -3.49 0.02 0.00 -0.64 0.00 0.00 41.12 37.52 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 -1.68 -0.32 0.00 0.44 0.00 -1.26 -5.07 105.19 97.29 1we3 n GLY 84 Ca -0.11 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.82 0.00 -4.46 1.61 4.07 -1.18 -5.17 120.64 113.68 1we3 n GLU 85 Ca -0.02 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.74 1we3 n GLU 85 Cb 0.53 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.81 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 2.91 0.34 5.31 -1.05 -1.26 0.12 118.70 125.07 1we3 s GLU 86 Ca 0.00 -0.45 0.04 0.00 -0.15 0.00 0.00 54.97 54.41 1we3 s GLU 86 Cb 0.00 -2.73 -0.03 0.00 -0.44 0.00 0.00 34.13 30.93 1we3 s GLU 86 CO 0.00 0.69 0.17 0.71 0.95 0.00 0.00 175.26 177.77 1we3 s TYR 87 N -0.85 1.70 -0.16 4.83 1.51 0.34 -4.74 117.35 119.98 1we3 s TYR 87 Ca 0.13 -1.38 0.01 0.00 -1.01 0.00 0.00 57.07 54.82 1we3 s TYR 87 Cb -0.11 -0.94 0.02 0.00 -0.11 0.00 0.00 41.96 40.82 1we3 s TYR 87 CO 0.02 -0.49 -0.16 0.08 -1.11 0.00 0.00 175.55 173.89 1we3 s VAL 88 N -3.45 1.70 -0.96 0.71 1.01 -0.32 -0.55 120.40 118.55 1we3 s VAL 88 Ca 0.33 -0.72 -0.20 0.00 0.00 0.00 0.00 61.98 61.40 1we3 s VAL 88 Cb 0.04 -1.58 0.11 0.00 0.00 0.00 0.00 36.38 34.95 1we3 s VAL 88 CO 0.18 0.48 1.20 -0.63 0.00 0.00 0.00 175.10 176.34 1we3 s ILE 89 N 1.43 4.56 0.34 2.22 1.01 -0.01 -2.10 121.20 128.65 1we3 s ILE 89 Ca 0.05 -1.43 0.02 0.00 0.00 0.00 0.00 60.65 59.29 1we3 s ILE 89 Cb -0.13 -4.84 -0.02 0.00 0.01 0.00 0.00 42.46 37.47 1we3 s ILE 89 CO -0.11 -1.60 0.52 -0.76 0.00 0.00 0.00 174.94 172.99 1we3 s LEU 90 N 3.15 4.00 0.59 2.97 1.43 -1.13 -3.30 118.68 126.40 1we3 s LEU 90 Ca 0.36 0.27 0.08 0.00 -1.03 0.00 0.00 54.13 53.81 1we3 s LEU 90 Cb -0.04 -3.13 0.09 0.00 0.03 0.00 0.00 46.19 43.14 1we3 s LEU 90 CO -0.09 -0.34 0.82 -0.44 0.23 0.00 0.00 176.35 176.53 1we3 s SER 91 N -4.07 4.99 0.31 2.29 0.01 -1.26 -0.73 113.70 115.24 1we3 s SER 91 Ca 0.41 -0.74 0.09 0.00 1.31 0.00 0.00 55.95 57.02 1we3 s SER 91 Cb -0.10 0.19 0.52 0.00 0.21 0.00 0.00 66.02 66.84 1we3 s SER 91 CO 0.34 -1.41 1.72 -0.08 0.41 0.00 0.00 173.24 174.23 1we3 h GLU 92 N 0.07 0.13 -0.16 12.44 4.81 -1.94 -2.87 114.58 127.05 1we3 h GLU 92 Ca -0.32 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1we3 h GLU 92 Cb 1.28 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 1we3 h GLU 92 CO 0.41 0.54 0.11 0.00 -0.73 0.00 0.00 179.01 179.34 1we3 h ARG 93 N 0.10 0.22 0.00 1.92 3.08 -1.94 -2.42 114.38 115.34 1we3 h ARG 93 Ca 0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1we3 h ARG 93 Cb 0.82 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 1we3 h ARG 93 CO 0.06 0.15 -0.04 -0.44 -1.07 0.00 0.00 179.97 178.64 1we3 h ASP 94 N 0.22 0.00 -2.99 7.04 3.32 -1.90 -3.41 116.42 118.70 1we3 h ASP 94 Ca 0.06 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.54 1we3 h ASP 94 Cb -0.02 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 1we3 h ASP 94 CO -0.01 0.04 0.91 -0.76 -1.72 0.00 0.00 179.24 177.70 1we3 s LEU 95 N -7.88 4.09 -0.16 1.55 1.43 -0.91 -3.22 118.68 113.58 1we3 s LEU 95 Ca -0.05 1.52 0.01 0.00 -1.03 0.00 0.00 54.13 54.59 1we3 s LEU 95 Cb 0.15 -3.54 -0.23 0.00 0.03 0.00 0.00 46.19 42.60 1we3 s LEU 95 CO 0.58 -0.84 0.21 0.18 0.23 0.00 0.00 176.35 176.71 1we3 n LEU 96 N 6.87 2.20 -3.95 1.79 4.77 0.12 -4.99 117.00 123.81 1we3 n LEU 96 Ca 0.14 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1we3 n LEU 96 Cb 0.45 -0.70 0.02 0.00 -2.33 0.00 0.00 43.42 40.86 1we3 n LEU 96 CO 0.57 0.77 0.98 0.00 -1.33 0.00 0.00 177.39 178.39 1we3 s ALA 97 N -2.55 -2.09 -0.01 -1.18 0.00 -1.03 -5.00 121.76 109.91 1we3 s ALA 97 Ca -0.22 -0.15 0.05 0.00 0.00 0.00 0.00 51.96 51.64 1we3 s ALA 97 Cb 0.07 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 24.03 1we3 s ALA 97 CO 0.73 -1.11 -0.16 0.08 0.00 0.00 0.00 175.76 175.30 1we3 s VAL 98 N -2.06 1.23 -0.28 0.00 1.01 -1.26 -0.88 120.40 118.17 1we3 s VAL 98 Ca 0.27 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.39 1we3 s VAL 98 Cb -0.02 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 1we3 s VAL 98 CO 0.02 0.35 0.58 -0.76 0.00 0.00 0.00 175.10 175.28 1we3 s LEU 99 N -0.36 4.10 0.00 3.92 1.02 0.90 -4.99 118.68 123.27 1we3 s LEU 99 Ca 0.06 0.50 0.18 0.00 0.02 0.00 0.00 54.13 54.90 1we3 s LEU 99 Cb -0.06 -2.75 0.14 0.00 0.02 0.00 0.00 46.19 43.55 1we3 s LEU 99 CO -0.01 -0.38 1.08 1.67 0.02 0.00 0.00 176.35 178.74