#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otl h VAL 2 N 0.00 1.28 -0.02 -1.45 -1.51 -2.00 -2.57 116.25 109.97 2otl h VAL 2 Ca 0.00 -1.34 0.00 0.00 -1.23 0.00 0.00 66.70 64.13 2otl h VAL 2 Cb 0.00 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 30.83 2otl h VAL 2 CO 0.00 0.39 -0.03 0.00 -1.23 0.00 0.00 177.57 176.70 2otl n TYR 3 N -4.08 0.00 -3.75 5.19 0.18 -1.26 -4.84 117.16 108.60 2otl n TYR 3 Ca -0.02 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.40 2otl n TYR 3 Cb 0.42 -0.01 -0.12 0.00 -0.38 0.00 0.00 39.34 39.26 2otl n TYR 3 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 2otl s VAL 4 N -2.04 4.56 -0.37 -3.48 1.01 -0.97 -4.85 120.40 114.25 2otl s VAL 4 Ca 0.33 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.32 2otl s VAL 4 Cb 0.20 -3.14 -0.11 0.00 0.00 0.00 0.00 36.38 33.34 2otl s VAL 4 CO 0.34 0.33 0.37 0.47 0.00 0.00 0.00 175.10 176.61 2otl n ASP 5 N 4.83 0.84 -3.90 3.32 8.00 -1.26 -4.83 116.55 123.55 2otl n ASP 5 Ca -0.16 -0.60 -0.12 0.00 0.71 0.00 0.00 54.79 54.62 2otl n ASP 5 Cb 0.52 1.08 -0.13 0.00 -0.02 0.00 0.00 41.12 42.56 2otl n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2otl s PHE 6 N -2.03 0.09 -0.13 1.24 -0.12 -1.26 -5.14 117.98 110.64 2otl s PHE 6 Ca 0.02 -0.11 -0.20 0.00 -0.05 0.00 0.00 56.93 56.59 2otl s PHE 6 Cb 0.07 -0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.36 2otl s PHE 6 CO 0.39 -0.04 0.54 0.34 -0.05 0.00 0.00 175.22 176.41 2otl s ASP 7 N -0.31 6.73 -0.29 1.98 2.15 -1.26 -5.00 116.67 120.67 2otl s ASP 7 Ca -0.03 0.87 -0.10 0.00 0.43 0.00 0.00 52.55 53.72 2otl s ASP 7 Cb -0.02 -2.32 -0.03 0.00 -0.30 0.00 0.00 42.92 40.25 2otl s ASP 7 CO -0.00 -0.08 0.16 -0.69 -0.17 0.00 0.00 175.17 174.39 2otl s VAL 8 N 0.93 4.87 0.35 1.11 1.01 -1.26 -5.08 120.40 122.34 2otl s VAL 8 Ca 0.28 -0.16 -0.27 0.00 0.00 0.00 0.00 61.98 61.84 2otl s VAL 8 Cb -0.16 -3.40 -0.12 0.00 0.00 0.00 0.00 36.38 32.71 2otl s VAL 8 CO 0.12 0.17 1.19 -2.65 0.00 0.00 0.00 175.10 173.92 2otl n PRO 9 N 5.02 1.83 -0.32 2.72 -0.02 -1.26 -4.77 135.00 138.19 2otl n PRO 9 Ca -0.14 0.64 0.19 0.00 -2.02 0.00 0.00 63.50 62.17 2otl n PRO 9 Cb 0.51 -2.20 0.44 0.00 -0.02 0.00 0.00 33.50 32.23 2otl n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2otl h ALA 10 N 2.22 2.02 -0.29 3.55 0.00 -1.99 -0.38 119.26 124.39 2otl h ALA 10 Ca -0.45 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2otl h ALA 10 Cb 1.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2otl h ALA 10 CO 0.61 -0.40 0.12 -0.44 0.00 0.00 0.00 179.25 179.14 2otl h ASP 11 N 0.52 0.39 -0.83 0.00 3.32 -2.00 -1.34 116.42 116.49 2otl h ASP 11 Ca 0.57 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.43 2otl h ASP 11 Cb 1.24 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.65 2otl h ASP 11 CO -0.32 0.44 0.37 0.25 -1.72 0.00 0.00 179.24 178.26 2otl h LEU 12 N 0.32 1.11 -0.72 1.55 6.46 -1.47 -2.06 115.31 120.51 2otl h LEU 12 Ca 0.10 -0.15 -0.03 0.00 -0.12 0.00 0.00 57.88 57.67 2otl h LEU 12 Cb 0.17 -0.29 -0.03 0.00 -0.73 0.00 0.00 40.66 39.78 2otl h LEU 12 CO -0.01 0.96 0.34 -0.08 -0.62 0.00 0.00 178.44 179.03 2otl h GLU 13 N 1.19 1.04 -0.46 1.25 4.81 -0.99 -0.51 114.58 120.91 2otl h GLU 13 Ca 0.28 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2otl h GLU 13 Cb 0.17 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2otl h GLU 13 CO -0.03 0.82 0.29 -0.44 -0.73 0.00 0.00 179.01 178.92 2otl h ASP 14 N 1.01 0.54 -0.54 1.04 3.32 -0.80 -1.44 116.42 119.55 2otl h ASP 14 Ca 0.25 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2otl h ASP 14 Cb 0.13 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 2otl h ASP 14 CO -0.03 0.42 0.35 0.44 -1.72 0.00 0.00 179.24 178.70 2otl h ASP 15 N 0.62 0.63 0.19 6.45 3.32 -0.93 -1.81 116.42 124.89 2otl h ASP 15 Ca 0.17 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2otl h ASP 15 Cb -0.04 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 2otl h ASP 15 CO -0.03 0.46 -0.19 0.00 -1.72 0.00 0.00 179.24 177.77 2otl h ALA 16 N 1.19 -0.38 -0.23 3.45 0.00 -0.68 -2.64 119.26 119.98 2otl h ALA 16 Ca 0.20 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2otl h ALA 16 Cb -0.07 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2otl h ALA 16 CO -0.04 -0.74 -0.07 -0.07 0.00 0.00 0.00 179.25 178.33 2otl h LEU 17 N -0.40 0.34 -0.40 0.00 3.38 -1.15 -2.60 115.31 114.48 2otl h LEU 17 Ca 0.00 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.93 2otl h LEU 17 Cb 0.38 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2otl h LEU 17 CO -0.04 0.46 0.22 -0.33 0.09 0.00 0.00 178.44 178.83 2otl h GLU 18 N 0.34 0.43 -0.24 1.13 5.08 -1.05 -1.76 114.58 118.51 2otl h GLU 18 Ca 0.07 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2otl h GLU 18 Cb 0.35 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2otl h GLU 18 CO 0.02 0.28 -0.03 0.00 -1.00 0.00 0.00 179.01 178.27 2otl h ALA 19 N 1.20 1.49 -0.43 3.43 0.00 -1.13 -2.72 119.26 121.10 2otl h ALA 19 Ca 0.17 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2otl h ALA 19 Cb 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2otl h ALA 19 CO -0.10 0.36 0.10 1.25 0.00 0.00 0.00 179.25 180.86 2otl h LEU 20 N 0.36 0.66 -0.27 0.00 5.85 -0.98 0.37 115.31 121.29 2otl h LEU 20 Ca 0.08 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 2otl h LEU 20 Cb 0.30 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2otl h LEU 20 CO 0.01 0.73 0.11 -0.33 -0.34 0.00 0.00 178.44 178.61 2otl h GLU 21 N 0.56 0.41 0.00 1.25 5.08 -1.19 -0.12 114.58 120.57 2otl h GLU 21 Ca 0.13 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2otl h GLU 21 Cb 0.33 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2otl h GLU 21 CO 0.00 0.44 -0.09 -0.39 -1.00 0.00 0.00 179.01 177.97 2otl h VAL 22 N 0.29 0.21 -0.15 3.13 -1.51 -1.37 -1.84 116.25 115.01 2otl h VAL 22 Ca 0.09 -0.86 -0.20 0.00 -1.23 0.00 0.00 66.70 64.50 2otl h VAL 22 Cb 0.19 1.71 0.01 0.00 -2.13 0.00 0.00 31.29 31.07 2otl h VAL 22 CO -0.01 0.09 -0.71 0.00 -1.23 0.00 0.00 177.57 175.71 2otl h ALA 23 N 1.91 0.28 -0.27 5.19 0.00 0.32 -0.42 119.26 126.26 2otl h ALA 23 Ca -0.00 -0.58 -0.19 0.00 0.00 0.00 0.00 54.91 54.14 2otl h ALA 23 Cb 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2otl h ALA 23 CO 0.01 0.61 -0.57 0.07 0.00 0.00 0.00 179.25 179.38 2otl h ARG 24 N 0.45 0.86 0.00 0.00 0.11 -0.78 -0.17 114.38 114.84 2otl h ARG 24 Ca -0.05 -0.56 -0.13 0.00 0.10 0.00 0.00 59.98 59.35 2otl h ARG 24 Cb 1.34 0.07 -0.02 0.00 1.11 0.00 0.00 29.97 32.47 2otl h ARG 24 CO 0.15 1.19 -0.61 -0.44 0.10 0.00 0.00 179.97 180.35 2otl h ASP 25 N 0.65 0.00 0.00 0.08 3.32 -1.37 -3.41 116.42 115.69 2otl h ASP 25 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2otl h ASP 25 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2otl h ASP 25 CO 0.12 0.61 0.00 0.41 -1.72 0.00 0.00 179.24 178.67 2otl n THR 26 N -3.76 0.00 0.00 0.35 -1.04 -0.17 -5.06 114.28 104.60 2otl n THR 26 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2otl n THR 26 Cb 0.62 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 2otl n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2otl n GLY 27 N 2.57 -0.40 3.02 3.41 0.00 -0.09 -4.92 105.19 108.77 2otl n GLY 27 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 2otl n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otl s ALA 28 N -3.35 -0.28 0.07 4.61 0.00 -0.37 -4.71 121.76 117.72 2otl s ALA 28 Ca 0.00 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.18 2otl s ALA 28 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 2otl s ALA 28 CO 0.00 -0.09 -0.09 0.14 0.00 0.00 0.00 175.76 175.72 2otl s VAL 29 N -0.31 0.72 -0.15 0.00 -7.23 -1.26 -0.68 120.40 111.49 2otl s VAL 29 Ca -0.04 -1.36 -0.04 0.00 -1.81 0.00 0.00 61.98 58.73 2otl s VAL 29 Cb -0.03 -0.99 -0.03 0.00 0.56 0.00 0.00 36.38 35.89 2otl s VAL 29 CO 0.00 -0.48 -0.00 -0.54 -0.31 0.00 0.00 175.10 173.78 2otl s LYS 30 N -2.21 3.64 -0.12 4.82 -0.14 0.14 -4.87 119.74 121.00 2otl s LYS 30 Ca -0.02 -0.45 -0.01 0.00 -1.36 0.00 0.00 55.97 54.13 2otl s LYS 30 Cb -0.06 -2.98 -0.02 0.00 -1.68 0.00 0.00 37.83 33.09 2otl s LYS 30 CO -0.00 0.33 -0.11 0.15 -0.76 0.00 0.00 175.35 174.96 2otl s LYS 31 N 0.14 3.33 0.00 1.68 1.02 -1.26 -0.31 119.74 124.34 2otl s LYS 31 Ca 0.01 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.36 2otl s LYS 31 Cb -0.13 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.51 2otl s LYS 31 CO 0.02 0.29 0.00 0.41 -0.92 0.00 0.00 175.35 175.15 2otl n GLY 32 N 3.32 2.34 0.17 -3.33 0.00 -0.42 -4.61 105.19 102.66 2otl n GLY 32 Ca -0.18 -1.70 -0.08 0.00 0.00 0.00 0.00 46.02 44.06 2otl n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2otl h THR 33 N 0.00 1.10 -0.07 2.61 2.02 -1.94 -1.27 112.91 115.36 2otl h THR 33 Ca 0.00 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.01 2otl h THR 33 Cb 0.00 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 2otl h THR 33 CO 0.00 0.10 -0.12 -1.13 0.37 0.00 0.00 175.52 174.74 2otl h ASN 34 N 0.52 -0.36 -0.43 4.18 -1.24 -1.92 0.29 115.58 116.61 2otl h ASN 34 Ca 0.14 0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.19 2otl h ASN 34 Cb -0.05 0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 2otl h ASN 34 CO -0.03 -0.16 0.19 -0.33 -1.29 0.00 0.00 177.43 175.80 2otl h GLU 35 N -0.17 0.68 -0.31 6.67 5.08 -1.79 -1.51 114.58 123.24 2otl h GLU 35 Ca 0.07 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2otl h GLU 35 Cb 0.26 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2otl h GLU 35 CO -0.17 0.57 0.07 1.15 -1.00 0.00 0.00 179.01 179.62 2otl h THR 36 N 0.68 1.22 -0.84 1.13 2.02 -0.56 -2.61 112.91 113.95 2otl h THR 36 Ca 0.16 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 2otl h THR 36 Cb 0.14 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 2otl h THR 36 CO -0.02 0.25 0.50 0.74 0.37 0.00 0.00 175.52 177.37 2otl h THR 37 N 0.34 1.24 -0.62 3.16 2.02 -0.28 -2.10 112.91 116.66 2otl h THR 37 Ca 0.10 -0.52 0.02 0.00 0.77 0.00 0.00 66.41 66.78 2otl h THR 37 Cb 0.31 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 2otl h THR 37 CO 0.00 0.25 0.39 0.11 0.37 0.00 0.00 175.52 176.64 2otl h LYS 38 N 1.16 0.76 0.27 6.66 1.79 -1.18 -1.60 116.57 124.43 2otl h LYS 38 Ca 0.30 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.73 2otl h LYS 38 Cb -0.04 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.41 2otl h LYS 38 CO -0.06 0.50 -0.46 0.77 -1.08 0.00 0.00 179.45 179.13 2otl h SER 39 N 0.78 -1.32 -0.89 0.86 0.02 -1.01 0.79 113.55 112.78 2otl h SER 39 Ca 0.24 0.12 0.18 0.00 -0.84 0.00 0.00 61.79 61.50 2otl h SER 39 Cb -0.02 0.46 -0.11 0.00 0.14 0.00 0.00 62.40 62.87 2otl h SER 39 CO -0.08 -0.54 0.44 0.40 -1.14 0.00 0.00 176.83 175.91 2otl h ILE 40 N -0.78 0.62 0.00 3.27 2.04 -1.27 0.16 117.51 121.56 2otl h ILE 40 Ca -0.03 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 2otl h ILE 40 Cb 0.72 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2otl h ILE 40 CO -0.16 0.10 -0.00 -0.33 0.00 0.00 0.00 178.15 177.76 2otl h GLU 41 N 0.55 -0.00 0.00 2.37 5.08 -0.47 -2.97 114.58 119.14 2otl h GLU 41 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 2otl h GLU 41 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2otl h GLU 41 CO -0.43 0.46 0.00 0.54 -1.00 0.00 0.00 179.01 178.58 2otl n ARG 42 N -4.87 0.70 0.00 2.33 1.74 0.27 -4.88 116.66 111.95 2otl n ARG 42 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2otl n ARG 42 Cb 0.24 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 2otl n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2otl n GLY 43 N 0.37 2.66 2.66 -0.13 0.00 0.47 -4.91 105.19 106.31 2otl n GLY 43 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2otl n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2otl n SER 44 N 0.36 5.18 -3.69 1.61 3.41 -1.08 -4.78 113.62 114.65 2otl n SER 44 Ca 0.00 -2.52 -0.12 0.00 -0.26 0.00 0.00 58.87 55.97 2otl n SER 44 Cb 0.00 -1.28 -0.13 0.00 -0.26 0.00 0.00 64.21 62.55 2otl n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2otl s ALA 45 N 3.42 -0.66 -0.25 7.33 0.00 -1.26 -4.62 121.76 125.72 2otl s ALA 45 Ca 0.51 1.07 -0.04 0.00 0.00 0.00 0.00 51.96 53.50 2otl s ALA 45 Cb 0.13 -0.92 -0.14 0.00 0.00 0.00 0.00 23.12 22.19 2otl s ALA 45 CO -0.02 -0.48 -0.26 0.39 0.00 0.00 0.00 175.76 175.39 2otl n GLU 46 N 4.90 0.58 -3.70 0.00 1.02 -0.91 -4.76 120.64 117.78 2otl n GLU 46 Ca -0.14 0.18 -0.15 0.00 -0.02 0.00 0.00 57.16 57.03 2otl n GLU 46 Cb 0.51 -1.46 -0.15 0.00 -0.02 0.00 0.00 31.44 30.32 2otl n GLU 46 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2otl s LEU 47 N -6.82 0.25 -0.07 -4.62 2.96 -1.23 -3.77 118.68 105.39 2otl s LEU 47 Ca -0.34 0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 2otl s LEU 47 Cb 0.11 0.37 -0.03 0.00 0.50 0.00 0.00 46.19 47.13 2otl s LEU 47 CO 0.52 -0.20 -0.10 0.68 -1.32 0.00 0.00 176.35 175.93 2otl s VAL 48 N 1.80 3.42 -0.14 1.68 -7.23 -0.70 0.07 120.40 119.29 2otl s VAL 48 Ca -0.03 -0.58 -0.05 0.00 -1.81 0.00 0.00 61.98 59.52 2otl s VAL 48 Cb -0.12 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 2otl s VAL 48 CO -0.06 0.58 0.03 -0.36 -0.31 0.00 0.00 175.10 174.98 2otl s PHE 49 N -0.58 3.20 -0.09 2.82 0.40 0.53 -0.74 117.98 123.52 2otl s PHE 49 Ca 0.08 0.06 -0.00 0.00 -0.60 0.00 0.00 56.93 56.48 2otl s PHE 49 Cb -0.12 -1.96 0.02 0.00 0.51 0.00 0.00 43.02 41.48 2otl s PHE 49 CO 0.02 0.25 -0.06 0.08 0.70 0.00 0.00 175.22 176.21 2otl s VAL 50 N -0.11 0.80 0.68 -0.44 1.01 -0.38 -1.16 120.40 120.80 2otl s VAL 50 Ca 0.05 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 2otl s VAL 50 Cb -0.12 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.41 2otl s VAL 50 CO 0.02 0.32 1.06 0.00 0.00 0.00 0.00 175.10 176.50 2otl s ALA 51 N 1.52 2.66 -0.37 5.51 0.00 0.16 -1.12 121.76 130.13 2otl s ALA 51 Ca 0.00 0.17 0.16 0.00 0.00 0.00 0.00 51.96 52.29 2otl s ALA 51 Cb -0.13 -3.20 -0.21 0.00 0.00 0.00 0.00 23.12 19.58 2otl s ALA 51 CO -0.05 -1.17 0.50 0.39 0.00 0.00 0.00 175.76 175.44 2otl n GLU 52 N -2.90 1.14 -1.13 0.00 1.02 -0.01 -4.50 120.64 114.26 2otl n GLU 52 Ca 0.08 -0.08 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 2otl n GLU 52 Cb 0.53 -1.31 0.09 0.00 -0.02 0.00 0.00 31.44 30.73 2otl n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2otl n ASP 53 N -1.73 6.22 -4.69 1.62 5.75 -1.20 -4.34 116.55 118.19 2otl n ASP 53 Ca -0.00 -3.48 -0.39 0.00 -0.01 0.00 0.00 54.79 50.90 2otl n ASP 53 Cb 0.33 -0.94 -0.06 0.00 -1.03 0.00 0.00 41.12 39.43 2otl n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2otl s VAL 54 N -3.61 5.06 -0.10 2.12 1.01 -1.26 -4.84 120.40 118.78 2otl s VAL 54 Ca 0.52 1.20 -0.02 0.00 0.00 0.00 0.00 61.98 63.68 2otl s VAL 54 Cb 0.41 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.89 2otl s VAL 54 CO 0.02 0.19 0.01 -1.58 0.00 0.00 0.00 175.10 173.74 2otl s GLN 55 N 1.35 0.59 0.57 2.72 -0.44 -1.26 -3.54 119.66 119.65 2otl s GLN 55 Ca 0.30 0.01 -0.15 0.00 -2.50 0.00 0.00 55.36 53.02 2otl s GLN 55 Cb -0.16 -1.20 -0.05 0.00 -1.64 0.00 0.00 33.01 29.95 2otl s GLN 55 CO 0.12 -0.38 1.02 -2.14 0.50 0.00 0.00 175.29 174.41 2otl s PRO 56 N 1.96 3.64 0.50 1.67 0.02 -1.26 -5.09 135.00 136.44 2otl s PRO 56 Ca 0.04 1.00 0.22 0.00 0.02 0.00 0.00 61.00 62.28 2otl s PRO 56 Cb -0.13 -2.09 1.29 0.00 0.02 0.00 0.00 34.50 33.59 2otl s PRO 56 CO -0.06 -0.53 2.05 0.93 -0.33 0.00 0.00 177.00 179.06 2otl h GLU 57 N 0.47 0.00 -1.02 5.54 5.08 -2.00 -3.11 114.58 119.54 2otl h GLU 57 Ca -0.46 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.14 2otl h GLU 57 Cb 1.20 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.34 2otl h GLU 57 CO 0.60 0.14 0.63 0.93 -1.00 0.00 0.00 179.01 180.31 2otl h GLU 58 N 0.00 0.50 -0.87 2.33 3.07 -1.99 0.11 114.58 117.73 2otl h GLU 58 Ca -0.00 -0.03 0.24 0.00 -0.50 0.00 0.00 59.36 59.07 2otl h GLU 58 Cb 0.31 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.06 2otl h GLU 58 CO 0.02 0.33 0.61 0.82 -1.40 0.00 0.00 179.01 179.39 2otl h ILE 59 N 0.51 0.59 0.00 3.13 2.04 -1.95 -3.24 117.51 118.60 2otl h ILE 59 Ca 0.60 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 66.38 2otl h ILE 59 Cb 1.30 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2otl h ILE 59 CO -0.36 0.02 -1.19 0.52 0.00 0.00 0.00 178.15 177.14 2otl n VAL 60 N -4.34 0.17 -0.18 1.67 0.31 0.22 -4.81 118.33 111.36 2otl n VAL 60 Ca 0.18 -0.12 0.07 0.00 -0.01 0.00 0.00 64.34 64.47 2otl n VAL 60 Cb 0.87 -0.74 0.14 0.00 -0.91 0.00 0.00 33.84 33.20 2otl n VAL 60 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2otl n MET 61 N -2.04 -0.04 0.29 5.55 2.81 -0.34 -0.96 117.12 122.39 2otl n MET 61 Ca -0.04 0.80 0.15 0.00 -1.81 0.00 0.00 57.70 56.79 2otl n MET 61 Cb 0.52 -1.25 0.86 0.00 -0.71 0.00 0.00 33.22 32.64 2otl n MET 61 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 2otl h HIS 62 N 0.00 0.00 0.09 2.03 2.07 -1.88 -3.35 115.15 114.11 2otl h HIS 62 Ca 0.31 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.83 2otl h HIS 62 Cb 0.61 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.58 2otl h HIS 62 CO -0.30 0.05 -0.15 0.82 -3.07 0.00 0.00 177.93 175.29 2otl h ILE 63 N 0.00 0.00 -0.96 6.12 1.08 -1.41 -1.81 117.51 120.53 2otl h ILE 63 Ca -0.00 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.62 2otl h ILE 63 Cb 0.15 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 33.74 2otl h ILE 63 CO 0.01 0.00 -0.40 -0.65 -0.69 0.00 0.00 178.15 176.42 2otl h PRO 64 N -0.25 -0.02 0.00 2.37 0.11 -1.80 0.18 132.00 132.59 2otl h PRO 64 Ca -0.01 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 2otl h PRO 64 Cb 0.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 2otl h PRO 64 CO -0.05 -0.01 -0.48 1.49 -0.21 0.00 0.00 178.00 178.74 2otl h GLU 65 N -0.02 0.00 -0.03 1.05 4.81 -1.80 -2.70 114.58 115.90 2otl h GLU 65 Ca 0.33 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 2otl h GLU 65 Cb 0.58 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 2otl h GLU 65 CO -0.96 0.48 -0.04 1.25 -0.73 0.00 0.00 179.01 179.01 2otl h LEU 66 N 0.00 0.08 -1.88 1.64 5.85 0.08 -2.95 115.31 118.12 2otl h LEU 66 Ca -0.00 -0.55 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 2otl h LEU 66 Cb 1.10 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 2otl h LEU 66 CO 0.06 0.61 -0.03 0.00 -0.34 0.00 0.00 178.44 178.74 2otl h ALA 67 N 0.47 1.90 -0.18 1.25 0.00 -0.82 -2.82 119.26 119.06 2otl h ALA 67 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2otl h ALA 67 Cb 0.60 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2otl h ALA 67 CO 0.01 0.07 -0.01 -0.44 0.00 0.00 0.00 179.25 178.89 2otl h ASP 68 N 0.03 0.32 0.08 0.00 3.32 -1.41 -1.11 116.42 117.66 2otl h ASP 68 Ca 0.01 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2otl h ASP 68 Cb 0.08 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2otl h ASP 68 CO 0.00 0.56 0.00 -1.84 -1.72 0.00 0.00 179.24 176.25 2otl n GLU 69 N -4.70 0.81 -0.03 3.56 0.28 -1.09 -2.32 120.64 117.14 2otl n GLU 69 Ca -0.05 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.00 2otl n GLU 69 Cb 0.23 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 31.65 2otl n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2otl n LYS 70 N -1.04 0.80 0.00 3.44 4.76 -1.06 -4.98 118.16 120.08 2otl n LYS 70 Ca 0.20 -1.20 0.00 0.00 -2.87 0.00 0.00 58.31 54.44 2otl n LYS 70 Cb 0.12 -1.16 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 2otl n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2otl n GLY 71 N 0.39 1.92 3.67 0.72 0.00 -0.49 -4.95 105.19 106.44 2otl n GLY 71 Ca 0.06 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.59 2otl n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2otl n VAL 72 N -1.18 0.20 -2.48 1.61 0.31 -0.78 -4.91 118.33 111.09 2otl n VAL 72 Ca 0.00 -0.04 -0.35 0.00 -0.01 0.00 0.00 64.34 63.94 2otl n VAL 72 Cb 0.00 -1.53 -0.03 0.00 -0.91 0.00 0.00 33.84 31.37 2otl n VAL 72 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2otl s PRO 73 N 2.00 3.83 0.05 5.55 0.02 -1.25 -4.38 135.00 140.82 2otl s PRO 73 Ca 0.85 1.47 -0.03 0.00 0.02 0.00 0.00 61.00 63.30 2otl s PRO 73 Cb -0.74 -2.22 -0.02 0.00 0.02 0.00 0.00 34.50 31.53 2otl s PRO 73 CO 0.45 -0.42 0.04 -0.59 -0.33 0.00 0.00 177.00 176.14 2otl s PHE 74 N -1.84 0.36 0.04 6.54 -0.12 -1.26 -1.73 117.98 119.97 2otl s PHE 74 Ca 0.65 -0.79 -0.06 0.00 -0.05 0.00 0.00 56.93 56.68 2otl s PHE 74 Cb -0.20 -0.26 -0.01 0.00 -0.63 0.00 0.00 43.02 41.93 2otl s PHE 74 CO 0.24 -0.38 0.10 -1.50 -0.05 0.00 0.00 175.22 173.63 2otl s ILE 75 N -3.32 0.13 0.15 -4.49 2.07 0.08 -4.93 121.20 110.90 2otl s ILE 75 Ca 0.01 -1.11 0.02 0.00 -1.41 0.00 0.00 60.65 58.16 2otl s ILE 75 Cb 0.03 -0.94 -0.04 0.00 0.13 0.00 0.00 42.46 41.64 2otl s ILE 75 CO -0.08 -0.61 0.30 -0.36 -1.91 0.00 0.00 174.94 172.28 2otl s PHE 76 N -2.72 3.49 0.04 3.50 2.99 -1.26 -1.25 117.98 122.77 2otl s PHE 76 Ca -0.04 0.18 0.05 0.00 0.00 0.00 0.00 56.93 57.12 2otl s PHE 76 Cb -0.00 -1.72 -0.02 0.00 0.00 0.00 0.00 43.02 41.27 2otl s PHE 76 CO -0.05 0.49 -0.14 0.08 -0.00 0.00 0.00 175.22 175.60 2otl s VAL 77 N -1.75 1.06 -0.08 -0.44 1.01 -0.28 -4.87 120.40 115.06 2otl s VAL 77 Ca 0.35 -1.03 -0.27 0.00 0.00 0.00 0.00 61.98 61.04 2otl s VAL 77 Cb -0.11 -0.98 -0.23 0.00 0.00 0.00 0.00 36.38 35.07 2otl s VAL 77 CO 0.29 -0.05 1.00 -0.33 0.00 0.00 0.00 175.10 176.01 2otl h GLU 78 N 4.84 -0.01 -5.29 2.72 4.39 -1.95 0.00 114.58 119.28 2otl h GLU 78 Ca -0.38 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 58.68 2otl h GLU 78 Cb 1.18 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.61 2otl h GLU 78 CO 0.43 0.70 -0.68 -0.65 -1.16 0.00 0.00 179.01 177.66 2otl s GLN 79 N -3.24 3.62 0.39 2.33 -0.21 -1.26 -3.23 119.66 118.06 2otl s GLN 79 Ca -0.17 -0.55 0.10 0.00 0.02 0.00 0.00 55.36 54.77 2otl s GLN 79 Cb -0.01 -2.88 0.89 0.00 1.00 0.00 0.00 33.01 32.02 2otl s GLN 79 CO 0.66 0.23 1.95 0.37 -2.12 0.00 0.00 175.29 176.38 2otl h GLN 80 N 6.74 0.56 -0.00 2.91 4.15 -1.88 -1.40 115.11 126.19 2otl h GLN 80 Ca -0.31 -0.03 -0.16 0.00 0.77 0.00 0.00 58.65 58.92 2otl h GLN 80 Cb 1.19 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.73 2otl h GLN 80 CO 0.62 0.37 -0.76 -0.44 -1.93 0.00 0.00 178.83 176.69 2otl h ASP 81 N 0.58 0.02 -0.02 -0.69 3.32 -1.92 -0.12 116.42 117.59 2otl h ASP 81 Ca 0.32 -0.01 -0.20 0.00 0.02 0.00 0.00 57.03 57.16 2otl h ASP 81 Cb 0.49 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2otl h ASP 81 CO -0.11 0.77 -0.73 0.44 -1.72 0.00 0.00 179.24 177.90 2otl h ASP 82 N 0.01 0.78 -0.50 6.45 3.32 -1.66 -0.96 116.42 123.85 2otl h ASP 82 Ca -0.01 -0.49 -0.11 0.00 0.02 0.00 0.00 57.03 56.44 2otl h ASP 82 Cb 1.35 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 2otl h ASP 82 CO 0.10 1.27 -0.11 0.25 -1.72 0.00 0.00 179.24 179.03 2otl h LEU 83 N 0.46 0.99 -0.28 1.55 5.85 -1.45 0.97 115.31 123.39 2otl h LEU 83 Ca -0.04 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 2otl h LEU 83 Cb 1.33 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 2otl h LEU 83 CO 0.14 1.10 0.05 1.23 -0.34 0.00 0.00 178.44 180.62 2otl h GLY 84 N 0.95 0.50 1.37 3.75 0.00 -1.27 -1.01 103.07 107.36 2otl h GLY 84 Ca 0.14 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 2otl h GLY 84 CO 0.05 0.31 -0.19 0.84 0.00 0.00 0.00 176.54 177.54 2otl h HIS 85 N 0.29 0.82 -0.31 5.60 -0.00 -1.05 0.17 115.15 120.66 2otl h HIS 85 Ca 0.09 -0.17 0.01 0.00 -0.00 0.00 0.00 60.37 60.29 2otl h HIS 85 Cb 0.33 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.52 2otl h HIS 85 CO 0.02 0.87 0.19 0.00 -0.00 0.00 0.00 177.93 179.01 2otl h ALA 86 N 1.14 0.39 0.00 5.26 0.00 -0.56 -0.72 119.26 124.78 2otl h ALA 86 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2otl h ALA 86 Cb 0.68 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2otl h ALA 86 CO 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.14 2otl n ALA 87 N -2.20 1.80 -1.01 0.00 0.00 -0.40 -4.00 120.51 114.70 2otl n ALA 87 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2otl n ALA 87 Cb 0.04 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2otl n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2otl n GLY 88 N 0.09 1.13 3.43 0.00 0.00 -0.27 -4.99 105.19 104.57 2otl n GLY 88 Ca 0.06 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 2otl n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2otl s LEU 89 N -0.21 2.46 0.15 0.99 1.43 0.55 -4.99 118.68 119.05 2otl s LEU 89 Ca 0.00 -0.68 -0.08 0.00 -1.03 0.00 0.00 54.13 52.34 2otl s LEU 89 Cb 0.00 -1.34 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 2otl s LEU 89 CO 0.00 0.18 1.44 -0.33 0.23 0.00 0.00 176.35 177.87 2otl h GLU 90 N 3.85 0.74 -7.14 1.70 5.08 -1.95 -3.26 114.58 113.60 2otl h GLU 90 Ca -0.51 -0.48 -0.48 0.00 -1.00 0.00 0.00 59.36 56.90 2otl h GLU 90 Cb 1.17 0.06 0.06 0.00 0.50 0.00 0.00 28.75 30.53 2otl h GLU 90 CO 0.42 1.10 0.20 0.08 -1.00 0.00 0.00 179.01 179.80 2otl s VAL 91 N -4.04 3.85 1.01 3.13 1.01 -1.26 -4.85 120.40 119.25 2otl s VAL 91 Ca -0.09 0.11 -0.16 0.00 0.00 0.00 0.00 61.98 61.84 2otl s VAL 91 Cb 0.11 -3.53 0.21 0.00 0.00 0.00 0.00 36.38 33.16 2otl s VAL 91 CO 0.87 -0.56 1.23 -0.83 0.00 0.00 0.00 175.10 175.81 2otl s GLY 92 N -4.28 1.68 -0.18 4.51 0.00 -1.26 -4.19 107.32 103.60 2otl s GLY 92 Ca 0.53 -0.99 -0.07 0.00 0.00 0.00 0.00 44.72 44.20 2otl s GLY 92 CO 0.46 -0.24 0.38 -0.45 0.00 0.00 0.00 173.10 173.25 2otl s SER 93 N -4.47 -0.16 0.38 1.64 0.15 -0.12 -4.74 113.70 106.38 2otl s SER 93 Ca 0.71 0.88 0.05 0.00 0.70 0.00 0.00 55.95 58.29 2otl s SER 93 Cb -0.08 1.10 0.75 0.00 -1.71 0.00 0.00 66.02 66.09 2otl s SER 93 CO 0.54 -0.23 2.03 0.00 1.20 0.00 0.00 173.24 176.78 2otl h ALA 94 N 8.02 1.64 -2.09 5.45 0.00 -1.95 -3.39 119.26 126.93 2otl h ALA 94 Ca -0.19 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2otl h ALA 94 Cb 1.12 -0.21 -0.20 0.00 0.00 0.00 0.00 17.79 18.50 2otl h ALA 94 CO 0.15 0.33 0.11 0.00 0.00 0.00 0.00 179.25 179.84 2otl s ALA 95 N -5.61 -1.63 0.20 0.00 0.00 -1.26 -0.67 121.76 112.80 2otl s ALA 95 Ca -0.09 1.37 0.02 0.00 0.00 0.00 0.00 51.96 53.26 2otl s ALA 95 Cb 0.18 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 2otl s ALA 95 CO 0.75 -0.34 0.03 0.00 0.00 0.00 0.00 175.76 176.20 2otl s ALA 96 N -0.76 1.48 -0.03 0.00 0.00 -0.31 -1.30 121.76 120.85 2otl s ALA 96 Ca -0.08 -1.69 -0.01 0.00 0.00 0.00 0.00 51.96 50.18 2otl s ALA 96 Cb -0.02 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.84 2otl s ALA 96 CO 0.07 -0.37 0.06 0.00 0.00 0.00 0.00 175.76 175.52 2otl s ALA 97 N -3.69 -0.06 -0.67 0.00 0.00 0.58 -0.35 121.76 117.57 2otl s ALA 97 Ca 0.29 0.31 -0.23 0.00 0.00 0.00 0.00 51.96 52.33 2otl s ALA 97 Cb 0.07 -0.22 0.07 0.00 0.00 0.00 0.00 23.12 23.03 2otl s ALA 97 CO 0.07 -0.09 0.99 0.08 0.00 0.00 0.00 175.76 176.82 2otl s VAL 98 N 0.69 4.30 -0.67 0.00 1.01 0.11 0.28 120.40 126.11 2otl s VAL 98 Ca -0.06 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 61.41 2otl s VAL 98 Cb -0.08 -4.70 0.14 0.00 0.00 0.00 0.00 36.38 31.74 2otl s VAL 98 CO -0.02 -1.48 0.72 0.28 0.00 0.00 0.00 175.10 174.60 2otl s THR 99 N 4.13 5.07 -0.21 3.92 -1.32 0.14 -2.13 115.64 125.25 2otl s THR 99 Ca 0.23 -1.51 -0.03 0.00 -1.21 0.00 0.00 61.69 59.17 2otl s THR 99 Cb -0.16 -4.49 0.01 0.00 -1.51 0.00 0.00 72.50 66.35 2otl s THR 99 CO 0.10 -1.09 0.06 0.47 -2.21 0.00 0.00 174.62 171.95 2otl n ASP 100 N 5.59 -4.74 -3.98 8.08 9.92 -1.26 -3.35 116.55 126.81 2otl n ASP 100 Ca -0.01 1.10 0.00 0.00 -0.53 0.00 0.00 54.79 55.35 2otl n ASP 100 Cb 0.44 -4.37 0.00 0.00 -0.64 0.00 0.00 41.12 36.55 2otl n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2otl n ALA 101 N 0.80 0.00 0.00 2.24 0.00 -1.26 -1.23 120.51 121.06 2otl n ALA 101 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2otl n ALA 101 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 2otl n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2otl n GLY 102 N 0.08 0.59 2.54 0.00 0.00 -1.26 -3.34 105.19 103.80 2otl n GLY 102 Ca 0.00 0.63 -0.19 0.00 0.00 0.00 0.00 46.02 46.47 2otl n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2otl n GLU 103 N 0.00 -1.29 0.00 1.61 1.02 -1.26 -4.41 120.64 116.31 2otl n GLU 103 Ca 0.00 1.15 0.00 0.00 -0.02 0.00 0.00 57.16 58.29 2otl n GLU 103 Cb 0.00 -5.44 0.00 0.00 -0.02 0.00 0.00 31.44 25.98 2otl n GLU 103 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2otl n ALA 104 N 1.32 0.00 -0.10 0.62 0.00 -1.26 -4.84 120.51 116.25 2otl n ALA 104 Ca -0.19 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.49 2otl n ALA 104 Cb 0.61 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.74 2otl n ALA 104 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2otl h ASP 105 N 0.00 0.04 0.16 0.00 5.19 -1.93 0.57 116.42 120.46 2otl h ASP 105 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 2otl h ASP 105 Cb 0.29 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.80 2otl h ASP 105 CO 0.00 0.02 -0.08 0.00 -3.12 0.00 0.00 179.24 176.06 2otl h ALA 106 N 1.64 -0.22 -0.06 3.45 0.00 -1.99 -2.72 119.26 119.36 2otl h ALA 106 Ca 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2otl h ALA 106 Cb 1.32 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 2otl h ALA 106 CO -0.02 -0.44 -0.06 -0.44 0.00 0.00 0.00 179.25 178.29 2otl h ASP 107 N -0.59 0.15 -0.38 0.00 3.32 -1.33 -2.95 116.42 114.63 2otl h ASP 107 Ca -0.02 -0.49 0.08 0.00 0.02 0.00 0.00 57.03 56.62 2otl h ASP 107 Cb 0.45 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.87 2otl h ASP 107 CO 0.04 0.61 -0.26 0.58 -1.72 0.00 0.00 179.24 178.49 2otl h VAL 108 N -0.30 0.33 -0.98 -1.35 2.07 -0.08 0.43 116.25 116.37 2otl h VAL 108 Ca 0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.66 2otl h VAL 108 Cb 0.56 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 30.58 2otl h VAL 108 CO 0.01 0.00 0.62 -0.08 0.02 0.00 0.00 177.57 178.14 2otl h GLU 109 N -0.19 0.89 0.00 1.57 4.81 -1.52 0.17 114.58 120.31 2otl h GLU 109 Ca 0.18 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.21 2otl h GLU 109 Cb 0.48 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2otl h GLU 109 CO -0.50 0.59 -0.73 -0.44 -0.73 0.00 0.00 179.01 177.21 2otl h ASP 110 N 0.92 0.00 -0.36 1.04 3.32 -0.79 -1.42 116.42 119.14 2otl h ASP 110 Ca 0.49 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.39 2otl h ASP 110 Cb 0.56 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 2otl h ASP 110 CO -0.26 0.70 -0.38 0.40 -1.72 0.00 0.00 179.24 177.99 2otl h ILE 111 N 0.00 1.28 -0.78 0.35 2.04 0.70 0.29 117.51 121.38 2otl h ILE 111 Ca -0.01 -1.55 -0.04 0.00 1.00 0.00 0.00 64.86 64.25 2otl h ILE 111 Cb 1.55 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 39.04 2otl h ILE 111 CO 0.09 0.51 0.31 0.00 0.00 0.00 0.00 178.15 179.07 2otl h ALA 112 N 0.75 1.07 -0.36 1.87 0.00 -0.95 0.31 119.26 121.95 2otl h ALA 112 Ca 0.05 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2otl h ALA 112 Cb 0.97 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2otl h ALA 112 CO 0.09 0.66 -0.13 -0.44 0.00 0.00 0.00 179.25 179.43 2otl h ASP 113 N 1.14 0.73 -0.64 0.00 3.32 -0.96 -2.27 116.42 117.73 2otl h ASP 113 Ca 0.26 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 2otl h ASP 113 Cb 0.21 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 2otl h ASP 113 CO -0.02 0.95 0.28 0.11 -1.72 0.00 0.00 179.24 178.84 2otl h LYS 114 N 0.51 0.97 -0.21 3.56 1.57 0.21 -2.18 116.57 121.00 2otl h LYS 114 Ca 0.09 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 2otl h LYS 114 Cb 0.65 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 2otl h LYS 114 CO 0.04 0.78 -0.18 0.28 -0.57 0.00 0.00 179.45 179.81 2otl h VAL 115 N 0.96 1.32 -0.87 0.50 2.07 -0.90 -1.44 116.25 117.90 2otl h VAL 115 Ca 0.23 -1.32 0.06 0.00 0.82 0.00 0.00 66.70 66.49 2otl h VAL 115 Cb 0.16 1.73 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 2otl h VAL 115 CO -0.02 0.40 0.57 -0.33 0.02 0.00 0.00 177.57 178.21 2otl h GLU 116 N 0.17 0.94 -0.03 1.57 4.39 -1.23 0.11 114.58 120.50 2otl h GLU 116 Ca 0.04 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.57 2otl h GLU 116 Cb 0.71 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2otl h GLU 116 CO 0.05 0.62 -0.48 0.93 -1.16 0.00 0.00 179.01 178.97 2otl h GLU 117 N 0.97 0.08 0.00 2.33 5.08 -1.29 -1.52 114.58 120.23 2otl h GLU 117 Ca 0.37 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2otl h GLU 117 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2otl h GLU 117 CO -0.14 0.55 0.00 -0.11 -1.00 0.00 0.00 179.01 178.31 2otl n LEU 118 N -3.97 0.00 0.00 1.33 7.94 0.36 -5.10 117.00 117.56 2otl n LEU 118 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 2otl n LEU 118 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 2otl n LEU 118 CO 0.41 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.55