#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 8ruc s GLN 2 N 0.00 2.22 -0.20 2.12 -0.21 -1.26 -5.11 119.66 117.22 8ruc s GLN 2 Ca 0.00 -0.88 -0.16 0.00 0.02 0.00 0.00 55.36 54.34 8ruc s GLN 2 Cb 0.00 -2.24 -0.04 0.00 1.00 0.00 0.00 33.01 31.73 8ruc s GLN 2 CO 0.00 0.57 0.39 0.08 -2.12 0.00 0.00 175.29 174.20 8ruc s VAL 3 N -0.84 5.21 0.09 1.09 1.01 -1.26 -5.05 120.40 120.66 8ruc s VAL 3 Ca 0.13 0.69 -0.31 0.00 0.00 0.00 0.00 61.98 62.49 8ruc s VAL 3 Cb -0.10 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.47 8ruc s VAL 3 CO 0.03 0.27 1.59 0.86 0.00 0.00 0.00 175.10 177.85 8ruc s TRP 4 N 1.23 2.68 0.66 5.22 -0.11 -1.26 -4.94 118.94 122.42 8ruc s TRP 4 Ca 0.19 0.48 -0.17 0.00 1.22 0.00 0.00 56.10 57.82 8ruc s TRP 4 Cb -0.15 -3.91 -0.04 0.00 -1.50 0.00 0.00 33.47 27.87 8ruc s TRP 4 CO 0.08 -3.54 0.76 -2.30 -4.62 0.00 0.00 176.95 167.34 8ruc n PRO 5 N 5.04 0.56 -0.05 5.86 -0.02 -1.26 -4.97 135.00 140.16 8ruc n PRO 5 Ca 0.15 0.23 -0.06 0.00 -2.02 0.00 0.00 63.50 61.80 8ruc n PRO 5 Cb 0.40 -2.00 -0.08 0.00 -0.02 0.00 0.00 33.50 31.80 8ruc n PRO 5 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 8ruc n ILE 6 N -2.10 0.72 -3.77 4.25 0.13 -1.26 -4.90 119.36 112.43 8ruc n ILE 6 Ca 0.12 -0.41 -0.36 0.00 -1.10 0.00 0.00 62.75 61.00 8ruc n ILE 6 Cb 0.49 -0.77 -0.06 0.00 -0.84 0.00 0.00 39.64 38.46 8ruc n ILE 6 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 8ruc s LEU 7 N -4.95 4.39 -1.57 9.51 1.43 -1.26 -4.44 118.68 121.80 8ruc s LEU 7 Ca -0.07 0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 53.45 8ruc s LEU 7 Cb 0.03 -2.46 0.11 0.00 0.03 0.00 0.00 46.19 43.90 8ruc s LEU 7 CO 0.40 0.31 0.88 0.59 0.23 0.00 0.00 176.35 178.77 8ruc n ASN 8 N 1.48 -4.31 -2.07 2.29 3.02 -1.26 -4.89 115.26 109.52 8ruc n ASN 8 Ca -0.14 -0.81 -0.26 0.00 -0.03 0.00 0.00 54.58 53.34 8ruc n ASN 8 Cb 0.53 -3.47 0.04 0.00 -0.61 0.00 0.00 39.78 36.27 8ruc n ASN 8 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 8ruc n LEU 9 N -4.50 5.67 -4.77 3.41 4.77 -1.26 -5.04 117.00 115.28 8ruc n LEU 9 Ca 0.05 -4.59 -0.41 0.00 -0.03 0.00 0.00 56.01 51.04 8ruc n LEU 9 Cb 0.52 -0.53 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 8ruc n LEU 9 CO 0.76 1.90 1.00 -0.54 -1.33 0.00 0.00 177.39 179.19 8ruc s LYS 10 N -3.65 4.25 0.36 3.23 -0.14 -1.26 -5.02 119.74 117.52 8ruc s LYS 10 Ca 0.55 2.27 0.08 0.00 -1.36 0.00 0.00 55.97 57.51 8ruc s LYS 10 Cb 0.44 -3.01 -0.05 0.00 -1.68 0.00 0.00 37.83 33.53 8ruc s LYS 10 CO 0.02 -0.29 0.09 0.15 -0.76 0.00 0.00 175.35 174.56 8ruc s LYS 11 N -1.91 2.18 -0.33 1.68 -0.14 -1.26 -5.08 119.74 114.87 8ruc s LYS 11 Ca 0.51 -1.74 0.13 0.00 -1.36 0.00 0.00 55.97 53.50 8ruc s LYS 11 Cb -0.41 -1.99 0.46 0.00 -1.68 0.00 0.00 37.83 34.21 8ruc s LYS 11 CO 0.54 0.05 1.09 0.66 -0.76 0.00 0.00 175.35 176.94 8ruc n TYR 12 N -1.08 2.23 -4.90 3.18 4.02 -1.26 -5.11 117.16 114.23 8ruc n TYR 12 Ca -0.03 -2.59 0.00 0.00 -0.01 0.00 0.00 57.90 55.27 8ruc n TYR 12 Cb 0.63 -0.25 0.00 0.00 -0.02 0.00 0.00 39.34 39.70 8ruc n TYR 12 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 8ruc n GLU 13 N -0.47 0.00 -1.69 -0.72 -0.58 -1.26 -4.49 120.64 111.43 8ruc n GLU 13 Ca 0.26 0.00 -0.55 0.00 -0.42 0.00 0.00 57.16 56.45 8ruc n GLU 13 Cb 0.81 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.62 8ruc n GLU 13 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 8ruc n THR 14 N 0.00 0.32 -0.22 2.62 -1.04 -1.26 -2.02 114.28 112.68 8ruc n THR 14 Ca 0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 8ruc n THR 14 Cb 0.00 -1.32 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 8ruc n THR 14 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 8ruc n LEU 15 N 5.29 0.00 0.03 -4.42 4.77 -1.26 -4.58 117.00 116.83 8ruc n LEU 15 Ca 0.25 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.32 8ruc n LEU 15 Cb 0.17 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.66 8ruc n LEU 15 CO 0.77 0.00 0.80 -1.54 -1.33 0.00 0.00 177.39 176.09 8ruc n SER 16 N 0.00 0.16 -0.79 -1.43 3.41 -0.86 -2.66 113.62 111.46 8ruc n SER 16 Ca 0.00 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.27 8ruc n SER 16 Cb 0.00 -0.57 0.29 0.00 -0.26 0.00 0.00 64.21 63.67 8ruc n SER 16 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 8ruc n TYR 17 N -1.67 0.13 -3.52 7.33 4.02 -1.26 -4.81 117.16 117.38 8ruc n TYR 17 Ca 0.04 -0.07 -0.20 0.00 -0.01 0.00 0.00 57.90 57.67 8ruc n TYR 17 Cb 0.23 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.53 8ruc n TYR 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 8ruc s LEU 18 N -1.83 3.71 0.70 7.72 1.43 -1.09 -5.07 118.68 124.26 8ruc s LEU 18 Ca 0.34 -0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 52.87 8ruc s LEU 18 Cb 0.20 -2.46 0.02 0.00 0.03 0.00 0.00 46.19 43.98 8ruc s LEU 18 CO 0.31 -0.49 1.26 -2.84 0.23 0.00 0.00 176.35 174.81 8ruc s PRO 19 N -4.14 2.26 0.29 1.29 0.02 -1.26 -4.85 135.00 128.61 8ruc s PRO 19 Ca 0.46 1.94 -0.28 0.00 0.02 0.00 0.00 61.00 63.14 8ruc s PRO 19 Cb -0.07 -1.83 -0.14 0.00 0.02 0.00 0.00 34.50 32.48 8ruc s PRO 19 CO 0.29 -1.79 1.01 -0.35 -0.33 0.00 0.00 177.00 175.83 8ruc n PRO 20 N -2.37 1.34 -2.19 5.54 -0.04 -1.26 -4.90 135.00 131.11 8ruc n PRO 20 Ca 0.15 0.47 -0.41 0.00 -0.04 0.00 0.00 63.50 63.66 8ruc n PRO 20 Cb 0.49 -1.84 -0.03 0.00 -0.04 0.00 0.00 33.50 32.09 8ruc n PRO 20 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 8ruc s LEU 21 N 0.48 4.41 0.69 1.53 1.43 -1.26 -5.03 118.68 120.92 8ruc s LEU 21 Ca 0.59 2.44 -0.07 0.00 -1.03 0.00 0.00 54.13 56.06 8ruc s LEU 21 Cb -0.71 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 41.95 8ruc s LEU 21 CO 0.60 -0.55 1.00 0.42 0.23 0.00 0.00 176.35 178.05 8ruc s THR 22 N 0.11 2.54 0.29 5.49 -4.23 -1.26 -4.82 115.64 113.76 8ruc s THR 22 Ca 0.57 -0.19 0.02 0.00 -1.18 0.00 0.00 61.69 60.92 8ruc s THR 22 Cb -0.37 -3.10 0.29 0.00 1.34 0.00 0.00 72.50 70.66 8ruc s THR 22 CO 0.39 -0.10 1.83 0.74 -0.54 0.00 0.00 174.62 176.94 8ruc h THR 23 N -0.54 0.90 -0.32 3.99 2.02 -1.99 -0.08 112.91 116.88 8ruc h THR 23 Ca -0.45 -0.33 -0.17 0.00 0.77 0.00 0.00 66.41 66.23 8ruc h THR 23 Cb 1.30 -0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 8ruc h THR 23 CO 0.61 0.18 -0.48 0.44 0.37 0.00 0.00 175.52 176.63 8ruc h ASP 24 N 0.96 0.95 -0.40 4.18 3.32 -1.99 -1.78 116.42 121.66 8ruc h ASP 24 Ca 0.50 -0.48 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 8ruc h ASP 24 Cb 0.54 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 8ruc h ASP 24 CO -0.27 1.27 -0.05 1.56 -1.72 0.00 0.00 179.24 180.02 8ruc h GLN 25 N 0.69 0.82 -0.11 3.56 4.20 -1.66 -1.21 115.11 121.39 8ruc h GLN 25 Ca 0.03 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 8ruc h GLN 25 Cb 1.07 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.77 8ruc h GLN 25 CO 0.11 0.85 0.01 1.25 -0.67 0.00 0.00 178.83 180.38 8ruc h LEU 26 N 0.75 0.18 -0.99 1.46 5.85 -1.00 -2.56 115.31 119.00 8ruc h LEU 26 Ca 0.14 -0.28 0.10 0.00 0.84 0.00 0.00 57.88 58.67 8ruc h LEU 26 Cb 0.53 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.43 8ruc h LEU 26 CO 0.03 0.42 0.63 0.00 -0.34 0.00 0.00 178.44 179.18 8ruc h ALA 27 N 0.77 1.45 -0.48 1.25 0.00 -1.06 -1.14 119.26 120.05 8ruc h ALA 27 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 8ruc h ALA 27 Cb 0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 8ruc h ALA 27 CO 0.00 0.31 0.14 0.00 0.00 0.00 0.00 179.25 179.71 8ruc h ARG 28 N 1.06 0.70 -0.35 0.00 2.47 -0.94 -0.43 114.38 116.88 8ruc h ARG 28 Ca 0.47 -0.12 -0.13 0.00 -1.26 0.00 0.00 59.98 58.94 8ruc h ARG 28 Cb 0.35 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 8ruc h ARG 28 CO -0.23 0.62 -0.29 1.96 0.56 0.00 0.00 179.97 182.59 8ruc h GLN 29 N 0.69 0.75 -0.22 0.04 1.08 -0.83 -1.16 115.11 115.46 8ruc h GLN 29 Ca 0.16 -0.33 -0.13 0.00 -1.45 0.00 0.00 58.65 56.90 8ruc h GLN 29 Cb 0.21 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 8ruc h GLN 29 CO -0.01 0.95 -0.40 0.28 -0.95 0.00 0.00 178.83 178.70 8ruc h VAL 30 N 0.64 1.30 -0.32 -0.54 2.07 -0.97 -2.12 116.25 116.30 8ruc h VAL 30 Ca 0.08 -1.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.04 8ruc h VAL 30 Cb 0.81 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 8ruc h VAL 30 CO 0.07 0.49 0.19 0.44 0.02 0.00 0.00 177.57 178.78 8ruc h ASP 31 N 0.43 0.38 -0.08 0.57 3.32 -0.77 -1.66 116.42 118.61 8ruc h ASP 31 Ca 0.04 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.06 8ruc h ASP 31 Cb 0.88 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 8ruc h ASP 31 CO 0.08 0.33 -0.10 0.22 -1.72 0.00 0.00 179.24 178.04 8ruc h TYR 32 N 0.41 -0.24 -0.15 4.55 3.20 -1.01 0.12 116.97 123.85 8ruc h TYR 32 Ca 0.11 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.05 8ruc h TYR 32 Cb 0.01 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.35 8ruc h TYR 32 CO -0.04 -0.15 -0.22 1.25 -1.64 0.00 0.00 178.16 177.36 8ruc h LEU 33 N -0.13 -0.67 -0.43 2.82 5.85 -1.13 -2.20 115.31 119.42 8ruc h LEU 33 Ca 0.07 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 8ruc h LEU 33 Cb 0.22 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 8ruc h LEU 33 CO -0.16 -0.26 0.06 -0.07 -0.34 0.00 0.00 178.44 177.66 8ruc h LEU 34 N -0.26 0.68 -1.56 2.25 3.38 -1.11 -2.59 115.31 116.10 8ruc h LEU 34 Ca 0.11 -0.27 0.18 0.00 0.09 0.00 0.00 57.88 57.99 8ruc h LEU 34 Cb 0.42 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 8ruc h LEU 34 CO -0.30 0.78 0.55 0.78 0.09 0.00 0.00 178.44 180.34 8ruc h ASN 35 N 0.57 0.39 -0.22 -0.43 2.35 -0.48 0.29 115.58 118.04 8ruc h ASN 35 Ca 0.13 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 8ruc h ASN 35 Cb 0.39 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.72 8ruc h ASN 35 CO 0.01 0.18 0.00 0.59 -1.65 0.00 0.00 177.43 176.56 8ruc n ASN 36 N -4.49 1.36 -1.51 5.81 3.02 -0.85 -4.90 115.26 113.71 8ruc n ASN 36 Ca 0.17 -2.03 -0.17 0.00 -0.03 0.00 0.00 54.58 52.51 8ruc n ASN 36 Cb 0.62 -0.20 -0.05 0.00 -0.61 0.00 0.00 39.78 39.54 8ruc n ASN 36 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 8ruc n LYS 37 N 0.17 -1.23 -3.04 3.52 4.76 0.10 -5.00 118.16 117.44 8ruc n LYS 37 Ca 0.08 1.00 -0.30 0.00 -2.87 0.00 0.00 58.31 56.22 8ruc n LYS 37 Cb 0.23 -5.29 -0.03 0.00 -1.84 0.00 0.00 35.03 28.10 8ruc n LYS 37 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 8ruc s TRP 38 N -2.70 3.46 -0.19 2.13 0.51 -1.07 -4.93 118.94 116.16 8ruc s TRP 38 Ca 0.00 0.93 -0.19 0.00 -2.12 0.00 0.00 56.10 54.72 8ruc s TRP 38 Cb 0.00 -2.34 -0.03 0.00 -0.81 0.00 0.00 33.47 30.29 8ruc s TRP 38 CO 0.00 0.00 0.56 0.08 -0.51 0.00 0.00 176.95 177.08 8ruc s VAL 39 N -2.24 5.08 0.53 4.03 1.01 -0.54 -4.56 120.40 123.72 8ruc s VAL 39 Ca 0.49 1.05 -0.16 0.00 0.00 0.00 0.00 61.98 63.36 8ruc s VAL 39 Cb -0.10 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 8ruc s VAL 39 CO 0.30 0.17 1.00 -2.84 0.00 0.00 0.00 175.10 173.72 8ruc s PRO 40 N 1.63 3.87 -0.17 2.72 0.02 -1.26 -0.34 135.00 141.46 8ruc s PRO 40 Ca 0.26 0.97 -0.28 0.00 0.02 0.00 0.00 61.00 61.97 8ruc s PRO 40 Cb -0.16 -2.12 0.09 0.00 0.02 0.00 0.00 34.50 32.33 8ruc s PRO 40 CO 0.10 -0.34 0.80 0.00 -0.33 0.00 0.00 177.00 177.23 8ruc s LEU 42 N -0.47 3.29 0.01 0.00 1.02 -1.26 -0.76 118.68 120.50 8ruc s LEU 42 Ca -0.04 -0.15 0.02 0.00 0.02 0.00 0.00 54.13 53.98 8ruc s LEU 42 Cb -0.02 -1.94 -0.01 0.00 0.02 0.00 0.00 46.19 44.24 8ruc s LEU 42 CO 0.03 0.25 -0.06 -1.61 0.02 0.00 0.00 176.35 174.98 8ruc s GLU 43 N -1.73 0.43 0.11 1.70 2.02 -0.76 -1.57 118.70 118.91 8ruc s GLU 43 Ca 0.20 -0.32 0.03 0.00 0.02 0.00 0.00 54.97 54.90 8ruc s GLU 43 Cb -0.11 -0.36 -0.04 0.00 0.10 0.00 0.00 34.13 33.71 8ruc s GLU 43 CO 0.11 0.09 -0.08 -0.59 0.02 0.00 0.00 175.26 174.82 8ruc s PHE 44 N -0.43 0.99 -0.21 1.61 -0.71 0.14 -1.28 117.98 118.09 8ruc s PHE 44 Ca -0.01 -0.85 -0.18 0.00 -1.04 0.00 0.00 56.93 54.86 8ruc s PHE 44 Cb -0.04 -0.55 0.06 0.00 -1.21 0.00 0.00 43.02 41.28 8ruc s PHE 44 CO -0.00 -0.08 0.55 -2.00 -1.34 0.00 0.00 175.22 172.35 8ruc s GLU 45 N -3.69 0.62 -0.08 1.99 2.56 -0.78 -1.30 118.70 118.02 8ruc s GLU 45 Ca 0.12 0.84 0.05 0.00 0.00 0.00 0.00 54.97 55.97 8ruc s GLU 45 Cb 0.04 0.25 -0.08 0.00 2.00 0.00 0.00 34.13 36.33 8ruc s GLU 45 CO -0.03 -0.10 -0.01 0.25 -0.56 0.00 0.00 175.26 174.81 8ruc n THR 46 N 3.19 0.53 -0.08 -1.70 -2.24 -1.26 -1.10 114.28 111.62 8ruc n THR 46 Ca -0.16 -0.28 -0.15 0.00 -2.27 0.00 0.00 64.05 61.19 8ruc n THR 46 Cb 0.56 -0.81 -0.09 0.00 -2.10 0.00 0.00 70.33 67.89 8ruc n THR 46 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 8ruc h ASP 47 N 0.00 0.00 -3.65 3.42 3.32 -1.98 -3.44 116.42 114.10 8ruc h ASP 47 Ca -0.21 -0.53 -0.64 0.00 0.02 0.00 0.00 57.03 55.67 8ruc h ASP 47 Cb 1.42 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.56 8ruc h ASP 47 CO -0.00 1.14 -0.56 -1.00 -1.72 0.00 0.00 179.24 177.10 8ruc s HIS 48 N -2.22 3.44 -1.06 4.55 3.76 -1.26 -4.91 115.29 117.59 8ruc s HIS 48 Ca -0.21 -3.24 0.13 0.00 -0.15 0.00 0.00 55.06 51.59 8ruc s HIS 48 Cb 0.02 -2.81 0.56 0.00 1.11 0.00 0.00 32.58 31.46 8ruc s HIS 48 CO 0.51 -0.64 1.40 0.41 -0.85 0.00 0.00 174.74 175.56 8ruc n GLY 49 N 2.48 -0.91 3.13 -2.22 0.00 -1.26 -4.75 105.19 101.66 8ruc n GLY 49 Ca 0.14 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 8ruc n GLY 49 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 8ruc s PHE 50 N -2.94 0.92 0.38 1.61 0.08 -1.26 -5.12 117.98 111.64 8ruc s PHE 50 Ca 0.07 -0.59 -0.28 0.00 0.12 0.00 0.00 56.93 56.25 8ruc s PHE 50 Cb 0.08 -0.52 -0.10 0.00 -0.57 0.00 0.00 43.02 41.91 8ruc s PHE 50 CO 0.23 -0.04 1.44 0.08 -0.10 0.00 0.00 175.22 176.83 8ruc s VAL 51 N -1.95 2.18 0.30 -0.44 1.01 -1.26 -4.79 120.40 115.45 8ruc s VAL 51 Ca -0.01 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 8ruc s VAL 51 Cb -0.06 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 8ruc s VAL 51 CO 0.00 0.04 0.39 -0.72 0.00 0.00 0.00 175.10 174.81 8ruc s TYR 52 N -1.14 1.07 -0.31 5.22 1.13 -0.74 -5.00 117.35 117.58 8ruc s TYR 52 Ca 0.53 -1.27 -0.01 0.00 -1.41 0.00 0.00 57.07 54.91 8ruc s TYR 52 Cb -0.45 -0.21 0.10 0.00 -1.10 0.00 0.00 41.96 40.30 8ruc s TYR 52 CO 0.60 -0.99 0.11 1.03 -2.51 0.00 0.00 175.55 173.79 8ruc s ARG 53 N -3.46 0.62 -0.16 -3.49 0.52 -1.26 -0.44 118.95 111.28 8ruc s ARG 53 Ca 0.32 -0.98 -0.06 0.00 -0.52 0.00 0.00 55.73 54.49 8ruc s ARG 53 Cb 0.01 -1.83 -0.07 0.00 0.52 0.00 0.00 34.95 33.58 8ruc s ARG 53 CO 0.18 -1.00 -0.19 -1.91 0.02 0.00 0.00 175.30 172.40 8ruc n GLU 54 N 4.91 0.34 0.03 3.54 2.13 -1.26 -4.80 120.64 125.53 8ruc n GLU 54 Ca -0.03 0.14 0.12 0.00 0.66 0.00 0.00 57.16 58.05 8ruc n GLU 54 Cb 0.42 -1.10 0.16 0.00 0.27 0.00 0.00 31.44 31.18 8ruc n GLU 54 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 8ruc n HIS 55 N -3.58 0.29 -3.55 4.31 8.25 -1.26 -4.98 115.22 114.70 8ruc n HIS 55 Ca -0.30 0.08 -0.09 0.00 -0.26 0.00 0.00 57.72 57.15 8ruc n HIS 55 Cb 0.73 -0.46 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 8ruc n HIS 55 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 8ruc s HIS 56 N -3.12 -0.32 -0.06 4.41 2.46 -1.26 -5.05 115.29 112.35 8ruc s HIS 56 Ca 0.07 0.35 0.10 0.00 0.47 0.00 0.00 55.06 56.06 8ruc s HIS 56 Cb 0.15 0.50 0.17 0.00 -0.13 0.00 0.00 32.58 33.27 8ruc s HIS 56 CO 0.74 -0.41 1.08 0.09 -2.47 0.00 0.00 174.74 173.77 8ruc n ASN 57 N 0.17 1.09 -4.85 9.88 3.02 -1.26 -4.80 115.26 118.50 8ruc n ASN 57 Ca -0.08 -2.54 -0.30 0.00 -0.03 0.00 0.00 54.58 51.63 8ruc n ASN 57 Cb 0.60 -0.32 0.06 0.00 -0.61 0.00 0.00 39.78 39.51 8ruc n ASN 57 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 8ruc s SER 58 N -1.94 5.07 0.11 6.41 1.04 -1.26 -4.93 113.70 118.20 8ruc s SER 58 Ca 0.17 1.20 -0.34 0.00 0.48 0.00 0.00 55.95 57.46 8ruc s SER 58 Cb 0.16 -1.97 -0.14 0.00 0.10 0.00 0.00 66.02 64.17 8ruc s SER 58 CO -0.01 -1.59 1.59 -2.65 0.98 0.00 0.00 173.24 171.57 8ruc n PRO 59 N -3.17 2.01 -0.93 4.02 -0.02 -1.26 -1.82 135.00 133.82 8ruc n PRO 59 Ca 0.07 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 8ruc n PRO 59 Cb 0.57 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 8ruc n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 8ruc n GLY 60 N 3.45 0.92 3.62 -1.23 0.00 -1.26 -5.02 105.19 105.66 8ruc n GLY 60 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 8ruc n GLY 60 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 8ruc s TYR 61 N -3.65 3.26 -0.03 1.61 6.14 -0.76 -5.06 117.35 118.86 8ruc s TYR 61 Ca 0.00 0.11 -0.05 0.00 0.64 0.00 0.00 57.07 57.77 8ruc s TYR 61 Cb 0.00 -2.25 0.01 0.00 0.42 0.00 0.00 41.96 40.13 8ruc s TYR 61 CO 0.00 -0.00 0.13 0.71 0.64 0.00 0.00 175.55 177.03 8ruc s TYR 62 N 1.12 -0.06 0.29 4.97 2.02 -1.26 -4.69 117.35 119.74 8ruc s TYR 62 Ca 0.07 0.15 -0.01 0.00 -0.37 0.00 0.00 57.07 56.91 8ruc s TYR 62 Cb -0.14 0.00 -0.04 0.00 -0.40 0.00 0.00 41.96 41.39 8ruc s TYR 62 CO 0.05 -0.15 0.50 -0.51 -1.57 0.00 0.00 175.55 173.86 8ruc s ASP 63 N -0.50 6.35 0.00 2.29 1.01 0.41 -4.46 116.67 121.76 8ruc s ASP 63 Ca -0.06 0.47 0.00 0.00 0.71 0.00 0.00 52.55 53.67 8ruc s ASP 63 Cb -0.04 -2.04 0.00 0.00 1.01 0.00 0.00 42.92 41.85 8ruc s ASP 63 CO 0.01 -0.20 0.00 0.61 0.21 0.00 0.00 175.17 175.80 8ruc n GLY 64 N -1.31 0.75 0.15 0.21 0.00 -1.26 -1.80 105.19 101.92 8ruc n GLY 64 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 8ruc n GLY 64 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 8ruc h ARG 65 N 2.95 0.51 -6.54 1.61 3.08 -1.93 -3.41 114.38 110.66 8ruc h ARG 65 Ca 0.00 -0.87 -0.52 0.00 0.07 0.00 0.00 59.98 58.66 8ruc h ARG 65 Cb 0.00 0.32 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 8ruc h ARG 65 CO 0.00 1.42 0.36 0.71 -1.07 0.00 0.00 179.97 181.38 8ruc s TYR 66 N -2.58 3.79 0.31 3.04 2.02 -1.26 -5.05 117.35 117.63 8ruc s TYR 66 Ca -0.10 1.78 0.01 0.00 -0.37 0.00 0.00 57.07 58.39 8ruc s TYR 66 Cb 0.04 -3.06 0.01 0.00 -0.40 0.00 0.00 41.96 38.55 8ruc s TYR 66 CO 0.93 0.19 0.05 0.91 -1.57 0.00 0.00 175.55 176.05 8ruc n TRP 67 N 2.91 0.38 -4.18 2.71 7.02 -1.26 -5.09 117.44 119.92 8ruc n TRP 67 Ca 0.03 -1.47 -0.36 0.00 -1.02 0.00 0.00 57.50 54.68 8ruc n TRP 67 Cb 0.49 -0.21 -0.08 0.00 -2.42 0.00 0.00 31.31 29.09 8ruc n TRP 67 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 8ruc s THR 68 N -2.00 4.73 0.13 -0.99 -1.32 -0.42 -4.90 115.64 110.87 8ruc s THR 68 Ca 0.04 -0.08 -0.30 0.00 -1.21 0.00 0.00 61.69 60.13 8ruc s THR 68 Cb -0.00 -3.03 -0.07 0.00 -1.51 0.00 0.00 72.50 67.89 8ruc s THR 68 CO 0.02 0.60 1.25 -0.32 -2.21 0.00 0.00 174.62 173.96 8ruc s MET 69 N -0.80 4.42 -0.49 7.08 1.75 -1.26 -0.68 119.30 129.32 8ruc s MET 69 Ca 0.13 1.90 -0.21 0.00 -1.25 0.00 0.00 55.69 56.26 8ruc s MET 69 Cb -0.12 -3.27 0.04 0.00 2.84 0.00 0.00 34.83 34.32 8ruc s MET 69 CO 0.03 -0.24 0.73 -0.46 -0.65 0.00 0.00 175.02 174.43 8ruc s TRP 70 N 0.58 2.99 0.00 4.11 -0.11 -0.61 -4.90 118.94 120.99 8ruc s TRP 70 Ca 0.58 -0.17 0.00 0.00 1.22 0.00 0.00 56.10 57.73 8ruc s TRP 70 Cb -0.33 -3.62 0.00 0.00 -1.50 0.00 0.00 33.47 28.02 8ruc s TRP 70 CO 0.33 -1.05 0.00 1.63 -4.62 0.00 0.00 176.95 173.24 8ruc n LYS 71 N 6.58 0.00 -4.26 5.86 5.02 -1.26 -4.55 118.16 125.56 8ruc n LYS 71 Ca -0.02 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.13 8ruc n LYS 71 Cb 0.47 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.38 8ruc n LYS 71 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 8ruc s LEU 72 N 0.00 2.38 0.47 -0.35 1.43 -1.26 -5.09 118.68 116.26 8ruc s LEU 72 Ca 0.00 -1.09 -0.24 0.00 -1.03 0.00 0.00 54.13 51.77 8ruc s LEU 72 Cb 0.00 -0.24 -0.08 0.00 0.03 0.00 0.00 46.19 45.90 8ruc s LEU 72 CO 0.00 -0.43 1.32 -2.65 0.23 0.00 0.00 176.35 174.82 8ruc n PRO 73 N -0.23 1.92 -1.87 1.29 -0.02 -1.26 -4.85 135.00 129.98 8ruc n PRO 73 Ca -0.09 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 8ruc n PRO 73 Cb 0.62 -2.49 -0.00 0.00 -0.02 0.00 0.00 33.50 31.61 8ruc n PRO 73 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 8ruc n MET 74 N -0.31 3.28 -1.72 -0.52 2.81 0.45 -4.97 117.12 116.14 8ruc n MET 74 Ca 0.07 -2.87 -0.42 0.00 -1.81 0.00 0.00 57.70 52.67 8ruc n MET 74 Cb 0.42 -3.08 -0.03 0.00 -0.71 0.00 0.00 33.22 29.82 8ruc n MET 74 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 8ruc n PHE 75 N 4.88 2.74 -0.97 2.03 3.72 -1.26 -1.80 117.46 126.79 8ruc n PHE 75 Ca 0.52 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 58.07 8ruc n PHE 75 Cb 0.35 -2.63 0.00 0.00 -0.94 0.00 0.00 39.48 36.26 8ruc n PHE 75 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 8ruc n GLY 76 N 3.21 0.77 3.73 1.37 0.00 -1.26 -5.00 105.19 108.00 8ruc n GLY 76 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 8ruc n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8ruc n THR 78 N 3.35 0.00 -4.00 0.00 -2.24 -1.26 -5.00 114.28 105.13 8ruc n THR 78 Ca 0.10 -0.33 -0.34 0.00 -2.27 0.00 0.00 64.05 61.21 8ruc n THR 78 Cb 0.41 1.26 -0.15 0.00 -2.10 0.00 0.00 70.33 69.75 8ruc n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 8ruc s ASP 79 N -0.14 4.14 0.62 3.42 2.15 -1.26 -4.99 116.67 120.61 8ruc s ASP 79 Ca 0.00 -0.91 0.34 0.00 0.43 0.00 0.00 52.55 52.42 8ruc s ASP 79 Cb 0.00 -1.62 1.98 0.00 -0.30 0.00 0.00 42.92 42.98 8ruc s ASP 79 CO 0.00 -0.11 2.24 1.55 -0.17 0.00 0.00 175.17 178.68 8ruc h PRO 80 N 7.97 0.00 -0.48 4.34 0.13 -1.95 -1.29 132.00 140.72 8ruc h PRO 80 Ca -0.33 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.76 8ruc h PRO 80 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 8ruc h PRO 80 CO 0.57 0.00 0.11 0.00 -0.23 0.00 0.00 178.00 178.45 8ruc h ALA 81 N 1.91 1.30 -0.73 -0.56 0.00 -1.99 -2.04 119.26 117.14 8ruc h ALA 81 Ca 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 8ruc h ALA 81 Cb 0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 8ruc h ALA 81 CO -0.00 0.49 0.36 1.96 0.00 0.00 0.00 179.25 182.06 8ruc h GLN 82 N 0.70 1.05 -0.08 0.00 4.20 -1.66 0.92 115.11 120.23 8ruc h GLN 82 Ca 0.16 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 8ruc h GLN 82 Cb 0.27 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 8ruc h GLN 82 CO -0.00 0.81 0.03 0.28 -0.67 0.00 0.00 178.83 179.28 8ruc h VAL 83 N 1.02 1.17 -0.21 -0.54 2.07 -1.56 -1.43 116.25 116.77 8ruc h VAL 83 Ca 0.25 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 8ruc h VAL 83 Cb 0.11 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 8ruc h VAL 83 CO -0.03 0.15 0.03 -0.07 0.02 0.00 0.00 177.57 177.67 8ruc h LEU 84 N -0.06 0.27 -0.31 2.57 3.38 -1.05 -0.55 115.31 119.57 8ruc h LEU 84 Ca 0.03 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 8ruc h LEU 84 Cb 0.21 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 8ruc h LEU 84 CO -0.00 0.30 -0.05 0.78 0.09 0.00 0.00 178.44 179.56 8ruc h ASN 85 N 0.30 0.58 -0.12 -0.43 2.35 -0.52 -1.77 115.58 115.96 8ruc h ASN 85 Ca 0.07 -0.34 -0.05 0.00 -0.55 0.00 0.00 56.30 55.43 8ruc h ASN 85 Cb 0.15 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 8ruc h ASN 85 CO -0.00 0.79 -0.04 -0.33 -1.65 0.00 0.00 177.43 176.19 8ruc h GLU 86 N 0.36 0.38 -0.28 0.81 4.39 -0.32 -0.72 114.58 119.20 8ruc h GLU 86 Ca 0.08 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 8ruc h GLU 86 Cb 0.52 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 8ruc h GLU 86 CO 0.03 0.45 0.12 1.25 -1.16 0.00 0.00 179.01 179.70 8ruc h LEU 87 N 0.37 0.37 -0.53 1.33 5.85 -0.78 0.18 115.31 122.10 8ruc h LEU 87 Ca 0.08 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 8ruc h LEU 87 Cb 0.32 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 8ruc h LEU 87 CO 0.01 0.41 0.28 -0.33 -0.34 0.00 0.00 178.44 178.47 8ruc h GLU 88 N 0.31 0.75 -0.73 1.25 4.39 -0.78 0.24 114.58 120.00 8ruc h GLU 88 Ca 0.09 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 8ruc h GLU 88 Cb 0.14 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 8ruc h GLU 88 CO -0.01 0.59 0.20 1.49 -1.16 0.00 0.00 179.01 180.13 8ruc h GLU 89 N 0.71 1.15 -0.49 2.33 4.81 -0.91 -1.85 114.58 120.33 8ruc h GLU 89 Ca 0.18 -0.26 -0.10 0.00 -0.13 0.00 0.00 59.36 59.05 8ruc h GLU 89 Cb 0.08 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 8ruc h GLU 89 CO -0.03 1.00 -0.10 0.00 -0.73 0.00 0.00 179.01 179.15 8ruc h LYS 91 N 0.80 0.78 -0.69 0.00 1.57 -0.53 0.78 116.57 119.28 8ruc h LYS 91 Ca 0.13 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 8ruc h LYS 91 Cb 0.61 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 8ruc h LYS 91 CO 0.04 0.63 0.19 1.57 -0.57 0.00 0.00 179.45 181.31 8ruc h LYS 92 N 0.74 1.09 0.02 3.15 2.10 -1.25 -2.24 116.57 120.17 8ruc h LYS 92 Ca 0.19 -0.24 -0.23 0.00 -2.00 0.00 0.00 60.65 58.37 8ruc h LYS 92 Cb 0.10 -0.15 -0.00 0.00 -0.90 0.00 0.00 32.23 31.28 8ruc h LYS 92 CO -0.03 0.94 -0.97 1.49 -2.00 0.00 0.00 179.45 178.89 8ruc h GLU 93 N 1.04 0.34 -2.29 0.07 4.81 -1.28 -3.39 114.58 113.88 8ruc h GLU 93 Ca 0.22 -0.39 -0.59 0.00 -0.13 0.00 0.00 59.36 58.47 8ruc h GLU 93 Cb 0.33 0.12 -0.41 0.00 0.63 0.00 0.00 28.75 29.42 8ruc h GLU 93 CO -0.00 1.09 -0.75 0.66 -0.73 0.00 0.00 179.01 179.28 8ruc n TYR 94 N -3.70 2.25 0.38 0.92 4.01 0.25 -4.92 117.16 116.35 8ruc n TYR 94 Ca -0.06 -3.97 0.13 0.00 -0.16 0.00 0.00 57.90 53.83 8ruc n TYR 94 Cb 0.85 -0.46 0.52 0.00 -0.31 0.00 0.00 39.34 39.95 8ruc n TYR 94 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 8ruc h PRO 95 N 4.42 0.00 -0.52 -0.72 0.13 -1.61 -2.85 132.00 130.85 8ruc h PRO 95 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 8ruc h PRO 95 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 8ruc h PRO 95 CO 0.69 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.55 8ruc n ASN 96 N -2.34 4.37 -4.71 1.44 3.02 -1.26 -4.58 115.26 111.20 8ruc n ASN 96 Ca 0.02 -2.53 -0.25 0.00 -0.03 0.00 0.00 54.58 51.79 8ruc n ASN 96 Cb 0.23 -0.52 -0.07 0.00 -0.61 0.00 0.00 39.78 38.81 8ruc n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 8ruc s ALA 97 N -1.98 3.32 0.12 5.41 0.00 -1.08 -4.73 121.76 122.82 8ruc s ALA 97 Ca 0.45 -1.38 -0.20 0.00 0.00 0.00 0.00 51.96 50.83 8ruc s ALA 97 Cb 0.30 -1.07 -0.07 0.00 0.00 0.00 0.00 23.12 22.28 8ruc s ALA 97 CO 0.19 0.43 0.63 -0.06 0.00 0.00 0.00 175.76 176.95 8ruc s PHE 98 N -1.87 3.78 -0.05 0.00 0.40 -0.25 -3.67 117.98 116.31 8ruc s PHE 98 Ca 0.29 1.34 0.02 0.00 -0.60 0.00 0.00 56.93 57.98 8ruc s PHE 98 Cb -0.09 -2.55 0.02 0.00 0.51 0.00 0.00 43.02 40.91 8ruc s PHE 98 CO 0.20 0.52 -0.09 0.42 0.70 0.00 0.00 175.22 176.98 8ruc s ILE 99 N -1.21 0.88 0.09 0.64 1.01 -0.35 -1.86 121.20 120.40 8ruc s ILE 99 Ca 0.33 -0.34 0.07 0.00 0.00 0.00 0.00 60.65 60.72 8ruc s ILE 99 Cb -0.19 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 8ruc s ILE 99 CO 0.21 0.29 -0.18 0.00 0.00 0.00 0.00 174.94 175.26 8ruc s ARG 100 N 0.69 1.03 -0.14 2.79 1.70 -0.41 -0.41 118.95 124.20 8ruc s ARG 100 Ca -0.12 -1.07 -0.04 0.00 -0.47 0.00 0.00 55.73 54.02 8ruc s ARG 100 Cb -0.15 -1.20 -0.03 0.00 -0.57 0.00 0.00 34.95 33.01 8ruc s ARG 100 CO 0.02 0.28 0.01 0.42 -1.08 0.00 0.00 175.30 174.94 8ruc s ILE 101 N -1.18 4.31 0.19 4.99 1.01 -0.42 -1.82 121.20 128.28 8ruc s ILE 101 Ca 0.04 -0.22 0.08 0.00 0.00 0.00 0.00 60.65 60.54 8ruc s ILE 101 Cb -0.10 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 8ruc s ILE 101 CO 0.03 0.51 -0.15 0.27 0.00 0.00 0.00 174.94 175.61 8ruc s ILE 102 N 0.01 1.69 -0.07 2.92 -4.36 0.06 -1.91 121.20 119.54 8ruc s ILE 102 Ca 0.03 -2.09 -0.00 0.00 -0.26 0.00 0.00 60.65 58.33 8ruc s ILE 102 Cb -0.13 -1.94 0.02 0.00 1.25 0.00 0.00 42.46 41.67 8ruc s ILE 102 CO 0.02 -0.52 -0.04 -0.83 0.24 0.00 0.00 174.94 173.81 8ruc s GLY 103 N -3.08 0.58 -0.01 6.27 0.00 -0.52 -1.09 107.32 109.47 8ruc s GLY 103 Ca 0.19 -0.23 -0.16 0.00 0.00 0.00 0.00 44.72 44.52 8ruc s GLY 103 CO 0.06 0.80 0.44 -1.36 0.00 0.00 0.00 173.10 173.04 8ruc s PHE 104 N 1.53 3.71 -0.43 1.90 0.08 0.54 -0.83 117.98 124.49 8ruc s PHE 104 Ca -0.01 1.02 -0.09 0.00 0.12 0.00 0.00 56.93 57.97 8ruc s PHE 104 Cb -0.13 -2.35 0.09 0.00 -0.57 0.00 0.00 43.02 40.06 8ruc s PHE 104 CO -0.04 0.58 0.28 0.34 -0.10 0.00 0.00 175.22 176.28 8ruc s ASP 105 N -0.87 5.63 0.50 1.36 -1.08 -0.30 -1.46 116.67 120.46 8ruc s ASP 105 Ca 0.25 -1.66 0.28 0.00 -0.52 0.00 0.00 52.55 50.89 8ruc s ASP 105 Cb -0.17 -1.98 1.28 0.00 -1.46 0.00 0.00 42.92 40.59 8ruc s ASP 105 CO 0.14 -0.59 1.98 0.77 0.52 0.00 0.00 175.17 177.98 8ruc h SER 106 N 8.40 0.00 -0.26 -0.34 4.64 -1.91 0.68 113.55 124.76 8ruc h SER 106 Ca -0.22 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.01 8ruc h SER 106 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 8ruc h SER 106 CO 0.79 0.14 -0.20 0.78 -0.87 0.00 0.00 176.83 177.46 8ruc h ASN 107 N 0.00 0.62 0.24 4.97 2.35 -1.96 -3.21 115.58 118.59 8ruc h ASN 107 Ca -0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 8ruc h ASN 107 Cb 0.51 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.71 8ruc h ASN 107 CO 0.02 0.94 -1.05 0.54 -1.65 0.00 0.00 177.43 176.23 8ruc n ARG 108 N -4.39 0.18 -3.58 0.81 1.74 -1.17 -4.99 116.66 105.26 8ruc n ARG 108 Ca -0.04 -0.02 -0.21 0.00 -0.77 0.00 0.00 57.85 56.80 8ruc n ARG 108 Cb 0.41 -1.54 0.05 0.00 -1.02 0.00 0.00 32.46 30.36 8ruc n ARG 108 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 8ruc n GLU 109 N -1.76 -4.09 -3.95 5.56 2.13 0.23 -5.01 120.64 113.75 8ruc n GLU 109 Ca 0.03 0.67 -0.10 0.00 0.66 0.00 0.00 57.16 58.42 8ruc n GLU 109 Cb 0.40 -5.22 -0.11 0.00 0.27 0.00 0.00 31.44 26.79 8ruc n GLU 109 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 8ruc s VAL 110 N -3.55 0.10 -0.26 6.31 -7.23 -1.05 -4.98 120.40 109.76 8ruc s VAL 110 Ca 0.16 -0.86 -0.26 0.00 -1.81 0.00 0.00 61.98 59.21 8ruc s VAL 110 Cb -0.04 -0.31 0.00 0.00 0.56 0.00 0.00 36.38 36.59 8ruc s VAL 110 CO 0.80 -0.47 0.91 -1.10 -0.31 0.00 0.00 175.10 174.92 8ruc s GLN 111 N -1.46 4.16 0.01 4.82 -0.21 -1.26 -1.15 119.66 124.57 8ruc s GLN 111 Ca -0.16 1.02 0.24 0.00 0.02 0.00 0.00 55.36 56.48 8ruc s GLN 111 Cb -0.09 -3.66 0.22 0.00 1.00 0.00 0.00 33.01 30.48 8ruc s GLN 111 CO -0.00 -0.61 1.21 0.00 -2.12 0.00 0.00 175.29 173.77 8ruc s ILE 113 N -3.02 0.16 -0.30 0.00 -1.09 -1.20 -4.96 121.20 110.79 8ruc s ILE 113 Ca 0.09 -0.22 -0.11 0.00 -2.23 0.00 0.00 60.65 58.18 8ruc s ILE 113 Cb 0.17 -0.16 0.17 0.00 -1.58 0.00 0.00 42.46 41.06 8ruc s ILE 113 CO 0.76 -0.04 0.94 -0.55 -1.23 0.00 0.00 174.94 174.82 8ruc s SER 114 N -0.28 -0.69 -0.07 3.58 0.15 -1.25 -1.44 113.70 113.71 8ruc s SER 114 Ca -0.02 0.58 -0.20 0.00 0.70 0.00 0.00 55.95 57.01 8ruc s SER 114 Cb -0.02 1.64 0.04 0.00 -1.71 0.00 0.00 66.02 65.97 8ruc s SER 114 CO -0.00 -0.13 0.46 0.72 1.20 0.00 0.00 173.24 175.49 8ruc s PHE 115 N 2.78 -0.40 0.06 3.44 -0.71 -0.80 -4.40 117.98 117.95 8ruc s PHE 115 Ca 0.03 0.76 -0.31 0.00 -1.04 0.00 0.00 56.93 56.37 8ruc s PHE 115 Cb -0.10 0.21 -0.06 0.00 -1.21 0.00 0.00 43.02 41.85 8ruc s PHE 115 CO -0.15 -0.42 1.28 -1.50 -1.34 0.00 0.00 175.22 173.10 8ruc s ILE 116 N -0.90 3.77 -0.22 -4.49 1.10 -1.26 -1.31 121.20 117.90 8ruc s ILE 116 Ca -0.09 1.25 0.10 0.00 -0.51 0.00 0.00 60.65 61.40 8ruc s ILE 116 Cb -0.03 -3.80 -0.13 0.00 0.15 0.00 0.00 42.46 38.64 8ruc s ILE 116 CO 0.05 0.08 0.31 0.00 -2.11 0.00 0.00 174.94 173.27 8ruc n ALA 117 N 4.18 2.78 -3.47 1.50 0.00 0.45 -4.92 120.51 121.03 8ruc n ALA 117 Ca 0.10 -0.25 -0.14 0.00 0.00 0.00 0.00 53.44 53.15 8ruc n ALA 117 Cb 0.45 -0.34 -0.08 0.00 0.00 0.00 0.00 19.45 19.47 8ruc n ALA 117 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 8ruc s TYR 118 N -2.32 -0.61 -0.01 0.00 5.04 -0.94 -4.98 117.35 113.53 8ruc s TYR 118 Ca -0.00 1.42 0.02 0.00 -2.44 0.00 0.00 57.07 56.07 8ruc s TYR 118 Cb 0.07 0.23 -0.00 0.00 0.35 0.00 0.00 41.96 42.61 8ruc s TYR 118 CO 0.40 -0.34 -0.06 0.15 -1.34 0.00 0.00 175.55 174.36 8ruc s LYS 119 N 0.03 0.52 0.97 4.97 1.02 -1.26 -1.21 119.74 124.78 8ruc s LYS 119 Ca -0.02 -0.20 -0.12 0.00 0.02 0.00 0.00 55.97 55.65 8ruc s LYS 119 Cb -0.04 -0.51 0.17 0.00 -0.52 0.00 0.00 37.83 36.93 8ruc s LYS 119 CO 0.02 0.10 1.09 -1.25 -0.92 0.00 0.00 175.35 174.39 8ruc s PRO 120 N -0.00 0.68 0.21 -1.68 0.04 -1.24 -4.89 135.00 128.12 8ruc s PRO 120 Ca 0.00 0.85 -0.32 0.00 0.04 0.00 0.00 61.00 61.57 8ruc s PRO 120 Cb -0.04 -1.74 -0.13 0.00 0.04 0.00 0.00 34.50 32.63 8ruc s PRO 120 CO -0.00 -2.65 1.54 0.00 0.04 0.00 0.00 177.00 175.93 8ruc n ALA 121 N -4.17 1.63 0.00 8.56 0.00 -1.26 -2.47 120.51 122.81 8ruc n ALA 121 Ca 0.06 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.92 8ruc n ALA 121 Cb 0.55 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.64 8ruc n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 8ruc n GLY 122 N 2.87 0.54 0.00 0.00 0.00 -1.26 -5.17 105.19 102.18 8ruc n GLY 122 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 8ruc n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60