#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yj9 s LYS 2 N 0.00 3.12 -0.19 4.33 -0.14 -1.26 -4.96 119.74 120.64 1yj9 s LYS 2 Ca 0.00 1.46 0.05 0.00 -1.36 0.00 0.00 55.97 56.12 1yj9 s LYS 2 Cb 0.00 -1.99 -0.15 0.00 -1.68 0.00 0.00 37.83 34.02 1yj9 s LYS 2 CO 0.00 -1.01 -0.12 2.41 -0.76 0.00 0.00 175.35 175.87 1yj9 n THR 3 N -1.87 1.14 -1.76 2.17 -1.04 -1.26 -4.95 114.28 106.72 1yj9 n THR 3 Ca 0.11 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.19 1yj9 n THR 3 Cb 0.52 -1.06 -0.03 0.00 -1.82 0.00 0.00 70.33 67.94 1yj9 n THR 3 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1yj9 s ASN 4 N -5.71 6.16 0.33 8.00 3.84 -1.26 -4.88 114.94 121.42 1yj9 s ASN 4 Ca -0.22 2.22 0.04 0.00 0.21 0.00 0.00 52.86 55.11 1yj9 s ASN 4 Cb 0.06 -2.52 0.59 0.00 -0.55 0.00 0.00 41.25 38.83 1yj9 s ASN 4 CO 0.51 -1.35 1.86 -0.65 -2.79 0.00 0.00 177.10 174.68 1yj9 h PRO 5 N 11.87 0.51 0.18 0.43 0.11 -1.99 -2.12 132.00 140.98 1yj9 h PRO 5 Ca -0.43 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 1yj9 h PRO 5 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1yj9 h PRO 5 CO 0.96 0.56 -0.09 0.00 -0.21 0.00 0.00 178.00 179.23 1yj9 h ARG 6 N 0.49 -0.23 0.01 1.05 3.08 -1.99 -1.60 114.38 115.19 1yj9 h ARG 6 Ca 0.10 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.19 1yj9 h ARG 6 Cb 0.37 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1yj9 h ARG 6 CO 0.02 0.07 -0.18 1.25 -1.07 0.00 0.00 179.97 180.05 1yj9 h LEU 7 N -0.54 -0.53 -0.43 3.04 5.85 -1.94 0.25 115.31 121.00 1yj9 h LEU 7 Ca -0.02 0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.86 1yj9 h LEU 7 Cb 0.41 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.58 1yj9 h LEU 7 CO 0.04 -0.25 -0.11 0.77 -0.34 0.00 0.00 178.44 178.55 1yj9 h SER 8 N -0.31 -0.41 0.28 1.25 4.64 -1.40 0.73 113.55 118.34 1yj9 h SER 8 Ca 0.05 0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1yj9 h SER 8 Cb 0.37 0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1yj9 h SER 8 CO -0.16 -0.15 -0.21 0.28 -0.87 0.00 0.00 176.83 175.72 1yj9 h SER 9 N -0.00 -0.56 -0.75 4.97 0.02 -0.73 -0.77 113.55 115.74 1yj9 h SER 9 Ca 0.21 0.04 0.17 0.00 -0.84 0.00 0.00 61.79 61.37 1yj9 h SER 9 Cb 0.32 0.18 -0.13 0.00 0.14 0.00 0.00 62.40 62.91 1yj9 h SER 9 CO -0.45 -0.33 -0.04 0.25 -1.14 0.00 0.00 176.83 175.12 1yj9 h LEU 10 N -0.50 -0.43 -0.84 5.07 5.85 0.24 0.13 115.31 124.83 1yj9 h LEU 10 Ca -0.02 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1yj9 h LEU 10 Cb 0.44 0.37 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 1yj9 h LEU 10 CO -0.01 -0.20 0.53 0.40 -0.34 0.00 0.00 178.44 178.82 1yj9 h ILE 11 N 0.07 1.23 -0.30 4.05 2.04 -0.27 -0.06 117.51 124.27 1yj9 h ILE 11 Ca 0.40 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1yj9 h ILE 11 Cb 0.69 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1yj9 h ILE 11 CO -0.69 0.23 0.05 0.00 0.00 0.00 0.00 178.15 177.74 1yj9 h ALA 12 N 1.29 1.53 -0.03 1.87 0.00 0.67 -2.19 119.26 122.39 1yj9 h ALA 12 Ca 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1yj9 h ALA 12 Cb -0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1yj9 h ALA 12 CO -0.06 0.35 -0.05 -0.44 0.00 0.00 0.00 179.25 179.05 1yj9 h ASP 13 N 0.44 0.10 -0.99 0.00 3.32 -0.21 -2.22 116.42 116.86 1yj9 h ASP 13 Ca 0.10 -0.55 0.24 0.00 0.02 0.00 0.00 57.03 56.85 1yj9 h ASP 13 Cb 0.21 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 39.65 1yj9 h ASP 13 CO -0.00 0.63 0.65 -0.07 -1.72 0.00 0.00 179.24 178.73 1yj9 h LEU 14 N -0.43 0.41 0.10 1.55 3.38 -0.73 -0.25 115.31 119.34 1yj9 h LEU 14 Ca 0.00 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1yj9 h LEU 14 Cb 0.61 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1yj9 h LEU 14 CO 0.01 0.12 -0.05 0.11 0.09 0.00 0.00 178.44 178.72 1yj9 h LYS 15 N 0.38 -0.14 -0.73 1.13 1.57 -1.30 -2.66 116.57 114.82 1yj9 h LYS 15 Ca 0.54 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.43 1yj9 h LYS 15 Cb 1.41 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 33.63 1yj9 h LYS 15 CO -0.23 -0.09 -0.31 0.45 -0.57 0.00 0.00 179.45 178.70 1yj9 n SER 16 N -2.65 -0.53 -0.07 0.86 2.88 -0.84 0.92 113.62 114.20 1yj9 n SER 16 Ca -0.02 1.28 -0.07 0.00 -1.33 0.00 0.00 58.87 58.74 1yj9 n SER 16 Cb 0.06 -0.27 -0.01 0.00 -0.75 0.00 0.00 64.21 63.23 1yj9 n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yj9 h ALA 17 N 0.91 0.02 -0.38 -1.46 0.00 -1.14 0.74 119.26 117.95 1yj9 h ALA 17 Ca 0.23 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.30 1yj9 h ALA 17 Cb 0.42 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1yj9 h ALA 17 CO -0.72 -0.58 0.10 0.00 0.00 0.00 0.00 179.25 178.04 1yj9 h ALA 18 N 1.02 0.42 0.33 0.00 0.00 0.92 -1.70 119.26 120.26 1yj9 h ALA 18 Ca 0.15 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1yj9 h ALA 18 Cb 0.38 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1yj9 h ALA 18 CO -0.37 -0.30 -0.16 0.00 0.00 0.00 0.00 179.25 178.41 1yj9 h ARG 19 N 0.23 -0.43 0.00 0.00 3.08 -0.58 -3.34 114.38 113.33 1yj9 h ARG 19 Ca 0.18 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1yj9 h ARG 19 Cb 0.19 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1yj9 h ARG 19 CO -0.21 -0.11 0.00 0.43 -1.07 0.00 0.00 179.97 179.01 1yj9 n SER 20 N -5.11 0.00 -1.34 7.04 7.64 0.25 -4.66 113.62 117.43 1yj9 n SER 20 Ca -0.09 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1yj9 n SER 20 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 1yj9 n SER 20 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1yj9 n SER 21 N -0.76 0.00 0.00 6.43 7.64 -0.65 -4.96 113.62 121.33 1yj9 n SER 21 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1yj9 n SER 21 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1yj9 n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yj9 n GLY 22 N 1.64 -0.16 3.67 0.23 0.00 -1.26 -4.90 105.19 104.41 1yj9 n GLY 22 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1yj9 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yj9 n GLY 23 N -0.14 1.18 0.01 -0.02 0.00 -1.25 -4.85 105.19 100.12 1yj9 n GLY 23 Ca 0.00 0.70 0.06 0.00 0.00 0.00 0.00 46.02 46.78 1yj9 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yj9 n ALA 24 N 4.12 2.49 0.12 4.61 0.00 -1.26 -4.19 120.51 126.40 1yj9 n ALA 24 Ca 0.18 -0.28 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 1yj9 n ALA 24 Cb 0.29 -0.41 0.15 0.00 0.00 0.00 0.00 19.45 19.49 1yj9 n ALA 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1yj9 h VAL 25 N 0.00 1.42 -0.08 0.00 -1.51 -1.88 -2.47 116.25 111.72 1yj9 h VAL 25 Ca 0.00 -2.06 -0.04 0.00 -1.23 0.00 0.00 66.70 63.38 1yj9 h VAL 25 Cb 0.52 2.09 -0.00 0.00 -2.13 0.00 0.00 31.29 31.77 1yj9 h VAL 25 CO 0.00 0.59 -0.09 -0.50 -1.23 0.00 0.00 177.57 176.34 1yj9 h TRP 26 N 0.07 0.25 0.00 5.19 -0.00 -1.84 -0.81 115.95 118.80 1yj9 h TRP 26 Ca -0.01 -0.08 0.00 0.00 -0.00 0.00 0.00 58.89 58.81 1yj9 h TRP 26 Cb 1.09 -0.05 0.00 0.00 -0.00 0.00 0.00 29.16 30.20 1yj9 h TRP 26 CO 0.01 0.65 0.00 0.41 -0.00 0.00 0.00 178.44 179.51 1yj9 n GLY 27 N 0.25 -1.15 0.11 1.49 0.00 -1.21 -1.50 105.19 103.17 1yj9 n GLY 27 Ca -0.07 0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 1yj9 n GLY 27 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1yj9 h ASP 28 N 0.00 0.22 -0.39 1.61 3.58 -1.21 -3.11 116.42 117.12 1yj9 h ASP 28 Ca 0.00 -0.82 -0.02 0.00 0.42 0.00 0.00 57.03 56.61 1yj9 h ASP 28 Cb 0.30 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 1yj9 h ASP 28 CO 0.00 1.42 0.19 0.58 -2.88 0.00 0.00 179.24 178.55 1yj9 h VAL 29 N -0.62 1.16 -0.35 2.25 2.07 -0.68 -2.48 116.25 117.59 1yj9 h VAL 29 Ca -0.23 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 1yj9 h VAL 29 Cb 1.47 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1yj9 h VAL 29 CO -0.00 0.18 -0.07 0.00 0.02 0.00 0.00 177.57 177.70 1yj9 h ALA 30 N 1.61 0.48 0.00 1.67 0.00 -1.38 -1.52 119.26 120.11 1yj9 h ALA 30 Ca 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1yj9 h ALA 30 Cb 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1yj9 h ALA 30 CO -0.02 0.31 0.00 0.39 0.00 0.00 0.00 179.25 179.94 1yj9 n GLU 31 N -4.42 0.51 -0.10 0.00 1.02 -0.96 -1.53 120.64 115.16 1yj9 n GLU 31 Ca -0.02 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.92 1yj9 n GLU 31 Cb 0.33 -1.37 -0.07 0.00 -0.02 0.00 0.00 31.44 30.32 1yj9 n GLU 31 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1yj9 n ARG 32 N -0.87 0.48 0.21 3.49 0.00 -0.73 -4.40 116.66 114.84 1yj9 n ARG 32 Ca 0.09 0.20 0.15 0.00 -0.00 0.00 0.00 57.85 58.30 1yj9 n ARG 32 Cb 0.04 -1.31 0.68 0.00 0.00 0.00 0.00 32.46 31.87 1yj9 n ARG 32 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1yj9 h LEU 33 N -0.84 0.00 -0.37 6.15 3.38 -1.15 -0.72 115.31 121.77 1yj9 h LEU 33 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1yj9 h LEU 33 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1yj9 h LEU 33 CO -0.25 0.00 0.00 -0.08 0.09 0.00 0.00 178.44 178.20 1yj9 h GLU 34 N 0.00 0.00 -7.45 1.13 4.81 -1.49 -3.45 114.58 108.12 1yj9 h GLU 34 Ca 0.00 0.00 -0.47 0.00 -0.13 0.00 0.00 59.36 58.76 1yj9 h GLU 34 Cb 0.30 0.00 0.09 0.00 0.63 0.00 0.00 28.75 29.76 1yj9 h GLU 34 CO 0.00 0.00 0.33 0.15 -0.73 0.00 0.00 179.01 178.76 1yj9 s LYS 35 N -3.27 2.22 0.36 1.92 1.02 -0.28 -4.97 119.74 116.75 1yj9 s LYS 35 Ca 0.07 0.02 -0.26 0.00 0.02 0.00 0.00 55.97 55.82 1yj9 s LYS 35 Cb 0.09 -2.06 -0.13 0.00 -0.52 0.00 0.00 37.83 35.21 1yj9 s LYS 35 CO 0.57 -1.34 0.87 -2.30 -0.92 0.00 0.00 175.35 172.24 1yj9 n PRO 36 N -3.09 1.08 -0.22 -1.68 -0.02 -1.26 -4.86 135.00 124.95 1yj9 n PRO 36 Ca 0.08 0.39 0.11 0.00 -2.02 0.00 0.00 63.50 62.05 1yj9 n PRO 36 Cb 0.60 -1.77 0.39 0.00 -0.02 0.00 0.00 33.50 32.70 1yj9 n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yj9 h ARG 37 N 1.51 0.64 0.00 -0.52 3.08 -1.94 -1.01 114.38 116.14 1yj9 h ARG 37 Ca -0.40 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.60 1yj9 h ARG 37 Cb 1.36 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.26 1yj9 h ARG 37 CO 0.57 0.43 -0.02 0.07 -1.07 0.00 0.00 179.97 179.94 1yj9 h ARG 38 N 0.66 0.00 0.00 0.04 0.11 -2.01 -0.48 114.38 112.70 1yj9 h ARG 38 Ca 0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 1yj9 h ARG 38 Cb 0.59 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.67 1yj9 h ARG 38 CO -0.15 0.02 -0.35 1.79 0.10 0.00 0.00 179.97 181.38 1yj9 h THR 39 N 0.00 0.00 -3.45 0.08 1.35 -1.52 -3.47 112.91 105.90 1yj9 h THR 39 Ca -0.00 -0.55 -0.45 0.00 -0.55 0.00 0.00 66.41 64.86 1yj9 h THR 39 Cb 0.07 1.32 0.21 0.00 -1.73 0.00 0.00 68.15 68.02 1yj9 h THR 39 CO 0.00 0.00 0.05 -1.00 -0.25 0.00 0.00 175.52 174.33 1yj9 s HIS 40 N -3.15 1.44 -0.05 4.73 3.76 -0.19 -4.98 115.29 116.85 1yj9 s HIS 40 Ca 0.08 1.26 -0.18 0.00 -0.15 0.00 0.00 55.06 56.06 1yj9 s HIS 40 Cb 0.12 -3.14 -0.05 0.00 1.11 0.00 0.00 32.58 30.62 1yj9 s HIS 40 CO 0.67 -3.66 0.49 0.00 -0.85 0.00 0.00 174.74 171.39 1yj9 s ALA 41 N -2.52 3.55 -0.45 -1.40 0.00 -1.13 -5.00 121.76 114.80 1yj9 s ALA 41 Ca 0.68 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.53 1yj9 s ALA 41 Cb -0.24 -2.59 0.13 0.00 0.00 0.00 0.00 23.12 20.42 1yj9 s ALA 41 CO 0.63 0.20 0.23 -1.21 0.00 0.00 0.00 175.76 175.61 1yj9 s GLU 42 N -0.15 1.40 -0.14 0.00 2.02 -1.25 0.53 118.70 121.11 1yj9 s GLU 42 Ca 0.27 -2.09 -0.03 0.00 0.02 0.00 0.00 54.97 53.14 1yj9 s GLU 42 Cb -0.17 -2.52 -0.03 0.00 0.10 0.00 0.00 34.13 31.52 1yj9 s GLU 42 CO 0.13 -1.14 -0.03 0.08 0.02 0.00 0.00 175.26 174.32 1yj9 s VAL 43 N 0.28 3.96 0.25 2.63 1.01 -0.28 -4.93 120.40 123.33 1yj9 s VAL 43 Ca 0.17 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 1yj9 s VAL 43 Cb -0.25 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 1yj9 s VAL 43 CO -0.00 0.52 0.50 0.20 0.00 0.00 0.00 175.10 176.31 1yj9 s ASN 44 N 0.03 6.44 0.25 3.32 0.01 -1.26 0.15 114.94 123.89 1yj9 s ASN 44 Ca 0.01 0.63 -0.05 0.00 -0.71 0.00 0.00 52.86 52.74 1yj9 s ASN 44 Cb -0.13 -2.11 0.48 0.00 0.41 0.00 0.00 41.25 39.90 1yj9 s ASN 44 CO 0.03 -0.13 1.66 -0.07 -1.51 0.00 0.00 177.10 177.08 1yj9 h LEU 45 N 1.91 -0.12 -1.98 0.60 3.38 -1.41 -1.44 115.31 116.25 1yj9 h LEU 45 Ca -0.48 0.17 0.47 0.00 0.09 0.00 0.00 57.88 58.13 1yj9 h LEU 45 Cb 1.19 0.26 -0.07 0.00 0.09 0.00 0.00 40.66 42.13 1yj9 h LEU 45 CO 0.67 -0.10 1.15 1.23 0.09 0.00 0.00 178.44 181.48 1yj9 h GLY 46 N 0.20 0.05 0.33 0.83 0.00 -1.76 0.26 103.07 102.98 1yj9 h GLY 46 Ca 0.43 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.66 1yj9 h GLY 46 CO -0.58 -0.01 -0.41 -0.09 0.00 0.00 0.00 176.54 175.45 1yj9 h ARG 47 N 0.01 0.14 -0.79 4.80 2.43 -1.59 -3.18 114.38 116.20 1yj9 h ARG 47 Ca 0.77 -0.25 0.09 0.00 -0.81 0.00 0.00 59.98 59.78 1yj9 h ARG 47 Cb 3.06 0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 32.64 1yj9 h ARG 47 CO -0.02 1.12 0.45 0.82 -1.51 0.00 0.00 179.97 180.82 1yj9 h ILE 48 N -0.70 0.92 -0.52 1.20 2.04 -1.05 -0.39 117.51 119.01 1yj9 h ILE 48 Ca -0.07 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.58 1yj9 h ILE 48 Cb 1.31 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 1yj9 h ILE 48 CO 0.07 0.14 0.23 -0.08 0.00 0.00 0.00 178.15 178.51 1yj9 h GLU 49 N 0.77 0.42 -0.78 2.37 4.57 -1.43 -0.43 114.58 120.06 1yj9 h GLU 49 Ca 0.37 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.51 1yj9 h GLU 49 Cb 0.31 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 1yj9 h GLU 49 CO -0.23 0.28 0.41 -0.09 -1.18 0.00 0.00 179.01 178.20 1yj9 h ARG 50 N 0.43 1.10 0.00 1.92 2.43 -1.07 -3.30 114.38 115.89 1yj9 h ARG 50 Ca 0.24 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1yj9 h ARG 50 Cb 0.22 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1yj9 h ARG 50 CO -0.21 0.82 -0.17 0.66 -1.51 0.00 0.00 179.97 179.55 1yj9 n TYR 51 N -4.34 0.00 -2.99 2.20 4.02 -0.86 -5.05 117.16 110.14 1yj9 n TYR 51 Ca 0.08 -1.08 -0.18 0.00 -0.01 0.00 0.00 57.90 56.71 1yj9 n TYR 51 Cb 0.11 -0.17 0.03 0.00 -0.02 0.00 0.00 39.34 39.29 1yj9 n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1yj9 s ALA 52 N -2.80 4.55 -0.28 -0.72 0.00 -0.19 -5.04 121.76 117.27 1yj9 s ALA 52 Ca 0.32 -1.82 -0.16 0.00 0.00 0.00 0.00 51.96 50.30 1yj9 s ALA 52 Cb 0.29 -1.60 0.10 0.00 0.00 0.00 0.00 23.12 21.92 1yj9 s ALA 52 CO -0.00 -0.53 0.79 1.14 0.00 0.00 0.00 175.76 177.16 1yj9 s GLN 53 N -4.50 0.59 0.86 0.00 -2.07 -1.26 -5.02 119.66 108.26 1yj9 s GLN 53 Ca 0.58 1.02 -0.16 0.00 -1.82 0.00 0.00 55.36 54.98 1yj9 s GLN 53 Cb -0.08 0.12 -0.06 0.00 -1.09 0.00 0.00 33.01 31.89 1yj9 s GLN 53 CO 0.36 -0.12 -0.01 0.39 -1.32 0.00 0.00 175.29 174.58 1yj9 n GLU 54 N 4.08 -0.02 -3.86 9.60 1.02 -1.26 -2.89 120.64 127.31 1yj9 n GLU 54 Ca -0.19 0.02 -0.29 0.00 -0.02 0.00 0.00 57.16 56.68 1yj9 n GLU 54 Cb 0.58 -1.48 0.03 0.00 -0.02 0.00 0.00 31.44 30.56 1yj9 n GLU 54 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1yj9 n ASP 55 N 0.90 -4.63 -3.15 1.62 8.00 -1.26 -4.94 116.55 113.09 1yj9 n ASP 55 Ca 0.05 -0.76 0.04 0.00 0.71 0.00 0.00 54.79 54.83 1yj9 n ASP 55 Cb 0.53 -4.03 -0.00 0.00 -0.02 0.00 0.00 41.12 37.60 1yj9 n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1yj9 s GLU 56 N -6.53 0.49 -0.02 -1.24 2.12 -1.14 -4.97 118.70 107.41 1yj9 s GLU 56 Ca 0.59 0.49 -0.36 0.00 0.36 0.00 0.00 54.97 56.05 1yj9 s GLU 56 Cb -0.29 0.22 -0.15 0.00 0.26 0.00 0.00 34.13 34.17 1yj9 s GLU 56 CO 0.82 -0.91 1.60 2.41 -0.54 0.00 0.00 175.26 178.64 1yj9 n THR 57 N 5.37 0.19 -3.14 -1.70 -1.04 -0.92 -4.63 114.28 108.40 1yj9 n THR 57 Ca 0.06 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.61 1yj9 n THR 57 Cb 0.55 -1.30 -0.07 0.00 -1.82 0.00 0.00 70.33 67.69 1yj9 n THR 57 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1yj9 s VAL 58 N 2.04 4.91 -0.25 12.58 1.01 -0.29 -1.14 120.40 139.27 1yj9 s VAL 58 Ca 0.88 0.47 -0.09 0.00 0.00 0.00 0.00 61.98 63.24 1yj9 s VAL 58 Cb -0.87 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 31.41 1yj9 s VAL 58 CO 0.50 -0.32 0.13 -0.69 0.00 0.00 0.00 175.10 174.72 1yj9 s VAL 59 N 2.64 5.00 -0.34 2.92 1.01 -0.37 -0.56 120.40 130.69 1yj9 s VAL 59 Ca 0.23 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.23 1yj9 s VAL 59 Cb -0.15 -3.34 0.06 0.00 0.00 0.00 0.00 36.38 32.96 1yj9 s VAL 59 CO 0.15 0.33 0.09 -0.69 0.00 0.00 0.00 175.10 174.98 1yj9 s VAL 60 N 1.31 3.34 -1.09 2.92 1.01 -0.13 -0.63 120.40 127.13 1yj9 s VAL 60 Ca 0.06 -1.49 -0.09 0.00 0.00 0.00 0.00 61.98 60.46 1yj9 s VAL 60 Cb -0.15 -3.01 -0.07 0.00 0.00 0.00 0.00 36.38 33.15 1yj9 s VAL 60 CO 0.06 -0.30 2.29 -0.81 0.00 0.00 0.00 175.10 176.34 1yj9 n PRO 61 N 4.68 2.43 0.00 2.72 -0.04 -1.26 -3.54 135.00 139.98 1yj9 n PRO 61 Ca -0.10 -1.73 0.00 0.00 -0.04 0.00 0.00 63.50 61.63 1yj9 n PRO 61 Cb 0.43 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 1yj9 n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yj9 n GLY 62 N 3.83 -0.44 3.05 0.55 0.00 -1.26 -2.85 105.19 108.07 1yj9 n GLY 62 Ca 0.53 0.31 -0.16 0.00 0.00 0.00 0.00 46.02 46.70 1yj9 n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yj9 s LYS 63 N 0.00 0.60 -0.14 1.61 2.20 0.19 -0.66 119.74 123.53 1yj9 s LYS 63 Ca 0.00 -0.57 -0.07 0.00 -0.36 0.00 0.00 55.97 54.97 1yj9 s LYS 63 Cb 0.00 -0.50 -0.04 0.00 -1.51 0.00 0.00 37.83 35.78 1yj9 s LYS 63 CO 0.00 0.12 0.09 0.08 -0.36 0.00 0.00 175.35 175.28 1yj9 s VAL 64 N -0.84 5.06 -0.01 4.02 1.01 -0.12 -1.12 120.40 128.41 1yj9 s VAL 64 Ca -0.03 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.07 1yj9 s VAL 64 Cb -0.07 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 1yj9 s VAL 64 CO 0.00 0.54 -0.21 -0.76 0.00 0.00 0.00 175.10 174.68 1yj9 s LEU 65 N -0.38 2.39 -0.05 3.92 1.43 0.12 -0.52 118.68 125.59 1yj9 s LEU 65 Ca 0.10 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1yj9 s LEU 65 Cb -0.12 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 1yj9 s LEU 65 CO 0.02 0.30 2.26 0.61 0.23 0.00 0.00 176.35 179.77 1yj9 n GLY 66 N 2.11 2.84 3.40 -3.19 0.00 -1.26 -1.96 105.19 107.13 1yj9 n GLY 66 Ca -0.16 -0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.04 1yj9 n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yj9 s SER 67 N 1.71 6.18 0.00 1.61 0.15 -1.26 -4.81 113.70 117.27 1yj9 s SER 67 Ca 0.15 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 55.57 1yj9 s SER 67 Cb 0.09 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 1yj9 s SER 67 CO -0.01 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.28 1yj9 n GLY 68 N 5.20 0.69 2.98 9.45 0.00 -1.26 -3.37 105.19 118.88 1yj9 n GLY 68 Ca -0.10 -2.08 -0.21 0.00 0.00 0.00 0.00 46.02 43.63 1yj9 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yj9 s VAL 69 N -1.26 0.78 -0.07 1.61 1.01 -1.26 -4.73 120.40 116.47 1yj9 s VAL 69 Ca 0.00 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.70 1yj9 s VAL 69 Cb 0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 1yj9 s VAL 69 CO 0.00 0.26 -0.24 -0.22 0.00 0.00 0.00 175.10 174.90 1yj9 s LEU 70 N 0.40 2.05 -0.03 3.92 2.96 -1.26 -4.40 118.68 122.31 1yj9 s LEU 70 Ca -0.06 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.35 1yj9 s LEU 70 Cb -0.11 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.21 1yj9 s LEU 70 CO 0.01 0.20 -0.01 0.00 -1.32 0.00 0.00 176.35 175.23 1yj9 n GLN 71 N 3.18 1.80 -1.73 1.98 6.02 -1.26 -4.85 117.38 122.53 1yj9 n GLN 71 Ca -0.18 0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.39 1yj9 n GLN 71 Cb 0.52 -1.08 -0.01 0.00 1.02 0.00 0.00 30.24 30.69 1yj9 n GLN 71 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1yj9 n LYS 72 N -2.36 2.45 -1.53 -1.09 5.02 -1.26 -4.88 118.16 114.51 1yj9 n LYS 72 Ca -0.06 0.87 -0.39 0.00 -2.02 0.00 0.00 58.31 56.70 1yj9 n LYS 72 Cb 0.59 -2.58 -0.02 0.00 -0.02 0.00 0.00 35.03 33.00 1yj9 n LYS 72 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1yj9 n ASP 73 N 1.59 8.36 -4.91 4.39 2.03 -1.21 -4.57 116.55 122.24 1yj9 n ASP 73 Ca 0.07 -2.75 -0.29 0.00 0.52 0.00 0.00 54.79 52.34 1yj9 n ASP 73 Cb 0.36 -1.51 -0.04 0.00 -0.72 0.00 0.00 41.12 39.21 1yj9 n ASP 73 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1yj9 s VAL 74 N 1.23 5.11 -0.38 5.18 -7.23 -1.26 -4.73 120.40 118.32 1yj9 s VAL 74 Ca 0.64 -0.03 -0.16 0.00 -1.81 0.00 0.00 61.98 60.62 1yj9 s VAL 74 Cb 0.18 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.44 1yj9 s VAL 74 CO -0.07 -0.14 0.39 -0.89 -0.31 0.00 0.00 175.10 174.08 1yj9 s THR 75 N -1.86 5.14 -0.15 5.32 2.01 -1.26 -2.55 115.64 122.30 1yj9 s THR 75 Ca 0.42 -0.19 -0.13 0.00 0.31 0.00 0.00 61.69 62.11 1yj9 s THR 75 Cb -0.11 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 1yj9 s THR 75 CO 0.27 -0.25 0.26 -0.69 -0.69 0.00 0.00 174.62 173.52 1yj9 s VAL 76 N 2.03 5.32 -0.24 3.82 1.01 0.83 -1.14 120.40 132.03 1yj9 s VAL 76 Ca 0.11 0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.58 1yj9 s VAL 76 Cb -0.17 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.68 1yj9 s VAL 76 CO 0.12 0.44 -0.06 0.00 0.00 0.00 0.00 175.10 175.60 1yj9 s ALA 77 N 0.17 2.04 0.38 5.51 0.00 0.28 0.46 121.76 130.61 1yj9 s ALA 77 Ca 0.16 -1.41 0.04 0.00 0.00 0.00 0.00 51.96 50.74 1yj9 s ALA 77 Cb -0.13 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 1yj9 s ALA 77 CO 0.04 -1.20 0.10 0.00 0.00 0.00 0.00 175.76 174.70 1yj9 s ALA 78 N 1.36 2.77 0.21 0.00 0.00 -1.13 -0.95 121.76 124.01 1yj9 s ALA 78 Ca -0.06 -1.48 -0.01 0.00 0.00 0.00 0.00 51.96 50.41 1yj9 s ALA 78 Cb -0.19 0.69 0.17 0.00 0.00 0.00 0.00 23.12 23.79 1yj9 s ALA 78 CO -0.06 -0.31 1.53 0.28 0.00 0.00 0.00 175.76 177.20 1yj9 h VAL 79 N 1.89 1.33 -2.32 0.00 2.07 -0.94 -3.08 116.25 115.21 1yj9 h VAL 79 Ca -0.38 -1.81 0.07 0.00 0.82 0.00 0.00 66.70 65.40 1yj9 h VAL 79 Cb 1.27 1.81 -0.16 0.00 -1.52 0.00 0.00 31.29 32.69 1yj9 h VAL 79 CO 0.62 0.56 0.42 -0.62 0.02 0.00 0.00 177.57 178.57 1yj9 s ASP 80 N -6.91 -0.43 0.04 0.57 2.15 -1.08 -4.83 116.67 106.19 1yj9 s ASP 80 Ca -0.06 0.10 0.06 0.00 0.43 0.00 0.00 52.55 53.07 1yj9 s ASP 80 Cb 0.12 0.43 -0.02 0.00 -0.30 0.00 0.00 42.92 43.14 1yj9 s ASP 80 CO 0.83 -0.66 -0.16 -0.36 -0.17 0.00 0.00 175.17 174.65 1yj9 s PHE 81 N -2.86 1.39 1.05 -5.34 0.40 -1.26 -0.94 117.98 110.41 1yj9 s PHE 81 Ca 0.02 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 55.86 1yj9 s PHE 81 Cb -0.01 -0.82 0.22 0.00 0.51 0.00 0.00 43.02 42.92 1yj9 s PHE 81 CO -0.07 0.06 1.07 -1.54 0.70 0.00 0.00 175.22 175.43 1yj9 s SER 82 N -1.22 2.04 0.39 1.36 1.04 0.33 -4.76 113.70 112.88 1yj9 s SER 82 Ca 0.03 1.47 0.11 0.00 0.48 0.00 0.00 55.95 58.04 1yj9 s SER 82 Cb -0.08 -2.17 0.80 0.00 0.10 0.00 0.00 66.02 64.67 1yj9 s SER 82 CO 0.02 -3.54 1.90 1.23 0.98 0.00 0.00 173.24 173.82 1yj9 h GLY 83 N -2.17 0.13 0.72 7.32 0.00 -2.00 -2.42 103.07 104.65 1yj9 h GLY 83 Ca -0.56 -0.09 -0.08 0.00 0.00 0.00 0.00 47.33 46.60 1yj9 h GLY 83 CO 0.53 0.08 -0.25 -0.84 0.00 0.00 0.00 176.54 176.05 1yj9 h THR 84 N 0.11 1.39 -0.59 4.70 2.02 -1.95 -2.97 112.91 115.62 1yj9 h THR 84 Ca 0.02 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.64 1yj9 h THR 84 Cb 0.47 2.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.98 1yj9 h THR 84 CO 0.03 0.45 0.38 0.00 0.37 0.00 0.00 175.52 176.75 1yj9 h ALA 85 N 0.51 0.75 0.00 6.16 0.00 -1.82 0.24 119.26 125.09 1yj9 h ALA 85 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1yj9 h ALA 85 Cb 0.86 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1yj9 h ALA 85 CO 0.06 0.21 -0.08 1.49 0.00 0.00 0.00 179.25 180.93 1yj9 h GLU 86 N 0.80 0.00 0.13 0.00 4.81 -1.49 0.02 114.58 118.85 1yj9 h GLU 86 Ca 0.21 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.20 1yj9 h GLU 86 Cb -0.06 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.33 1yj9 h GLU 86 CO -0.04 0.08 -1.22 1.15 -0.73 0.00 0.00 179.01 178.24 1yj9 h THR 87 N 0.00 1.20 0.00 0.32 2.02 -1.17 -2.98 112.91 112.30 1yj9 h THR 87 Ca -0.00 -2.46 -0.02 0.00 0.77 0.00 0.00 66.41 64.70 1yj9 h THR 87 Cb 0.15 2.88 -0.00 0.00 -1.74 0.00 0.00 68.15 69.44 1yj9 h THR 87 CO 0.01 0.71 -0.10 0.11 0.37 0.00 0.00 175.52 176.62 1yj9 h LYS 88 N -0.31 0.00 0.00 6.66 1.57 -0.19 -3.09 116.57 121.21 1yj9 h LYS 88 Ca -0.25 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 1yj9 h LYS 88 Cb 1.74 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.04 1yj9 h LYS 88 CO 0.10 0.10 -0.16 0.82 -0.57 0.00 0.00 179.45 179.74 1yj9 h ILE 89 N 0.00 0.46 0.00 1.86 2.04 -1.08 -3.33 117.51 117.46 1yj9 h ILE 89 Ca -0.00 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.48 1yj9 h ILE 89 Cb 0.29 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1yj9 h ILE 89 CO 0.01 0.16 0.24 0.47 0.00 0.00 0.00 178.15 179.03 1yj9 n ASP 90 N -4.69 0.38 -0.08 1.72 8.00 -1.13 -0.10 116.55 120.65 1yj9 n ASP 90 Ca -0.05 0.60 -0.13 0.00 0.71 0.00 0.00 54.79 55.92 1yj9 n ASP 90 Cb 0.19 -0.57 -0.05 0.00 -0.02 0.00 0.00 41.12 40.67 1yj9 n ASP 90 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1yj9 h GLN 91 N 0.00 0.52 -0.19 -1.24 4.20 -1.64 -3.33 115.11 113.43 1yj9 h GLN 91 Ca 0.00 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.47 1yj9 h GLN 91 Cb 0.48 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1yj9 h GLN 91 CO 0.00 0.81 0.00 1.33 -0.67 0.00 0.00 178.83 180.30 1yj9 n VAL 92 N -4.46 0.71 0.00 -0.54 0.24 0.12 -5.06 118.33 109.34 1yj9 n VAL 92 Ca -0.04 -0.86 0.00 0.00 -2.04 0.00 0.00 64.34 61.40 1yj9 n VAL 92 Cb 0.37 0.69 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 1yj9 n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yj9 n GLY 93 N 0.31 1.60 3.06 7.63 0.00 0.86 -3.35 105.19 115.30 1yj9 n GLY 93 Ca 0.07 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 1yj9 n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yj9 s GLU 94 N 4.44 0.21 -0.24 1.61 2.12 -1.06 -4.20 118.70 121.59 1yj9 s GLU 94 Ca 0.00 0.34 -0.05 0.00 0.36 0.00 0.00 54.97 55.62 1yj9 s GLU 94 Cb 0.00 0.03 -0.01 0.00 0.26 0.00 0.00 34.13 34.42 1yj9 s GLU 94 CO 0.00 -0.07 0.01 0.00 -0.54 0.00 0.00 175.26 174.66 1yj9 s ALA 95 N 0.46 2.95 0.13 6.30 0.00 -1.26 -0.12 121.76 130.21 1yj9 s ALA 95 Ca -0.03 -1.22 0.08 0.00 0.00 0.00 0.00 51.96 50.79 1yj9 s ALA 95 Cb -0.04 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 1yj9 s ALA 95 CO -0.02 -0.55 -0.20 0.08 0.00 0.00 0.00 175.76 175.07 1yj9 s VAL 96 N 1.51 1.76 0.40 0.00 1.01 0.17 -4.97 120.40 120.29 1yj9 s VAL 96 Ca 0.05 -1.71 -0.15 0.00 0.00 0.00 0.00 61.98 60.17 1yj9 s VAL 96 Cb -0.15 -1.69 -0.08 0.00 0.00 0.00 0.00 36.38 34.46 1yj9 s VAL 96 CO -0.01 -0.17 0.83 -0.94 0.00 0.00 0.00 175.10 174.81 1yj9 s SER 97 N -2.25 6.71 0.34 3.32 1.04 -1.26 -2.85 113.70 118.75 1yj9 s SER 97 Ca 0.11 1.37 0.03 0.00 0.48 0.00 0.00 55.95 57.94 1yj9 s SER 97 Cb -0.08 -2.42 0.61 0.00 0.10 0.00 0.00 66.02 64.23 1yj9 s SER 97 CO 0.05 -0.36 1.93 -0.07 0.98 0.00 0.00 173.24 175.77 1yj9 h LEU 98 N 1.68 0.61 -2.14 2.42 4.07 -1.86 -0.44 115.31 119.65 1yj9 h LEU 98 Ca -0.48 -0.07 0.07 0.00 0.08 0.00 0.00 57.88 57.49 1yj9 h LEU 98 Cb 1.18 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 1yj9 h LEU 98 CO 0.63 0.56 0.24 -0.33 -1.08 0.00 0.00 178.44 178.47 1yj9 h GLU 99 N 0.67 0.00 0.01 1.13 3.07 -1.93 0.34 114.58 117.87 1yj9 h GLU 99 Ca 0.16 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.81 1yj9 h GLU 99 Cb 0.15 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.03 1yj9 h GLU 99 CO -0.01 0.00 -1.14 1.96 -1.40 0.00 0.00 179.01 178.41 1yj9 h GLN 100 N 0.00 0.02 -0.77 2.33 4.20 -1.51 -3.25 115.11 116.14 1yj9 h GLN 100 Ca 0.12 -0.04 0.15 0.00 0.06 0.00 0.00 58.65 58.94 1yj9 h GLN 100 Cb 0.61 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.30 1yj9 h GLN 100 CO -0.00 1.02 0.30 0.00 -0.67 0.00 0.00 178.83 179.47 1yj9 h ALA 101 N -0.39 1.08 -0.18 3.87 0.00 -0.66 0.65 119.26 123.63 1yj9 h ALA 101 Ca -0.31 0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1yj9 h ALA 101 Cb 1.32 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1yj9 h ALA 101 CO -0.16 -0.23 0.13 0.82 0.00 0.00 0.00 179.25 179.81 1yj9 h ILE 102 N 0.42 0.86 0.00 0.00 2.04 -0.48 0.29 117.51 120.64 1yj9 h ILE 102 Ca 0.43 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.29 1yj9 h ILE 102 Cb 0.67 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1yj9 h ILE 102 CO -0.42 0.00 -0.97 1.21 0.00 0.00 0.00 178.15 177.96 1yj9 n GLU 103 N -4.40 0.28 -0.06 2.37 2.13 0.21 -2.77 120.64 118.39 1yj9 n GLU 103 Ca 0.01 0.01 -0.09 0.00 0.66 0.00 0.00 57.16 57.75 1yj9 n GLU 103 Cb 0.27 -1.60 -0.15 0.00 0.27 0.00 0.00 31.44 30.23 1yj9 n GLU 103 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1yj9 n ASN 104 N -1.96 0.39 -3.14 4.31 3.02 0.05 -4.58 115.26 113.35 1yj9 n ASN 104 Ca 0.02 0.18 -0.22 0.00 -0.03 0.00 0.00 54.58 54.54 1yj9 n ASN 104 Cb 0.43 0.54 -0.04 0.00 -0.61 0.00 0.00 39.78 40.10 1yj9 n ASN 104 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1yj9 n ASN 105 N -2.87 1.83 0.25 6.41 2.85 0.95 -4.93 115.26 119.74 1yj9 n ASN 105 Ca -0.26 -3.16 0.13 0.00 -0.11 0.00 0.00 54.58 51.18 1yj9 n ASN 105 Cb 1.11 -0.61 0.69 0.00 1.24 0.00 0.00 39.78 42.21 1yj9 n ASN 105 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1yj9 h PRO 106 N 3.19 0.00 -0.58 1.20 0.13 -1.70 0.47 132.00 134.70 1yj9 h PRO 106 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1yj9 h PRO 106 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1yj9 h PRO 106 CO 0.59 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.75 1yj9 n GLU 107 N -2.52 2.36 -2.70 0.86 4.71 -1.26 -4.00 120.64 118.09 1yj9 n GLU 107 Ca -0.02 -2.12 -0.19 0.00 -0.01 0.00 0.00 57.16 54.82 1yj9 n GLU 107 Cb 0.24 -1.46 0.01 0.00 -1.01 0.00 0.00 31.44 29.22 1yj9 n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1yj9 n GLY 108 N 1.44 -0.19 3.38 0.62 0.00 0.16 -3.92 105.19 106.68 1yj9 n GLY 108 Ca 0.20 0.54 -0.20 0.00 0.00 0.00 0.00 46.02 46.56 1yj9 n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yj9 s SER 109 N -1.43 2.68 -1.32 1.61 1.04 -1.26 -4.67 113.70 110.34 1yj9 s SER 109 Ca 0.14 -1.09 -0.11 0.00 0.48 0.00 0.00 55.95 55.37 1yj9 s SER 109 Cb -0.01 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1yj9 s SER 109 CO 0.50 -0.23 0.52 1.41 0.98 0.00 0.00 173.24 176.41 1yj9 n HIS 110 N -0.47 -1.64 -3.70 5.02 8.25 -1.26 -4.82 115.22 116.61 1yj9 n HIS 110 Ca -0.07 0.54 -0.21 0.00 -0.26 0.00 0.00 57.72 57.72 1yj9 n HIS 110 Cb 0.62 -3.40 -0.18 0.00 1.12 0.00 0.00 29.99 28.14 1yj9 n HIS 110 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1yj9 s VAL 111 N -3.80 0.05 -0.30 1.59 0.11 -1.26 -2.18 120.40 114.60 1yj9 s VAL 111 Ca 0.21 0.30 -0.18 0.00 -2.93 0.00 0.00 61.98 59.39 1yj9 s VAL 111 Cb -0.09 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.45 1yj9 s VAL 111 CO 0.91 0.18 0.51 -0.60 -3.33 0.00 0.00 175.10 172.77 1yj9 s ARG 112 N 2.10 3.87 -0.04 1.54 6.06 -0.29 -4.92 118.95 127.27 1yj9 s ARG 112 Ca 0.05 0.09 -0.29 0.00 -2.50 0.00 0.00 55.73 53.09 1yj9 s ARG 112 Cb -0.12 -3.72 -0.03 0.00 0.06 0.00 0.00 34.95 31.14 1yj9 s ARG 112 CO -0.04 -0.48 0.93 0.08 -2.50 0.00 0.00 175.30 173.29 1yj9 s VAL 113 N 2.34 4.88 -0.01 7.11 1.01 -1.26 -1.23 120.40 133.24 1yj9 s VAL 113 Ca 0.20 1.93 0.05 0.00 0.00 0.00 0.00 61.98 64.16 1yj9 s VAL 113 Cb -0.15 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 31.95 1yj9 s VAL 113 CO 0.11 0.13 -0.15 -0.63 0.00 0.00 0.00 175.10 174.56 1yj9 s ILE 114 N 1.26 1.20 0.00 2.22 -1.09 0.19 -4.92 121.20 120.07 1yj9 s ILE 114 Ca 0.48 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 58.25 1yj9 s ILE 114 Cb -0.20 -1.00 0.00 0.00 -1.58 0.00 0.00 42.46 39.68 1yj9 s ILE 114 CO 0.23 0.34 0.00 -2.11 -1.23 0.00 0.00 174.94 172.17