#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 2.23 -0.21 2.12 -0.21 -1.26 -5.11 119.66 117.22 8ruc s GLN 2 Ca 0.00 -0.89 -0.12 0.00 0.02 0.00 0.00 55.36 54.38 8ruc s GLN 2 Cb 0.00 -2.26 -0.05 0.00 1.00 0.00 0.00 33.01 31.70 8ruc s GLN 2 CO 0.00 0.57 0.20 0.08 -2.12 0.00 0.00 175.29 174.02 8ruc s VAL 3 N -0.89 5.34 0.01 1.09 1.01 -1.26 -5.05 120.40 120.66 8ruc s VAL 3 Ca 0.14 0.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 8ruc s VAL 3 Cb -0.11 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.66 8ruc s VAL 3 CO 0.05 0.37 1.63 0.86 0.00 0.00 0.00 175.10 178.00 8ruc s TRP 4 N 0.81 2.28 0.74 5.22 -0.11 -1.26 -4.95 118.94 121.67 8ruc s TRP 4 Ca 0.11 0.32 -0.16 0.00 1.22 0.00 0.00 56.10 57.58 8ruc s TRP 4 Cb -0.13 -3.91 -0.04 0.00 -1.50 0.00 0.00 33.47 27.89 8ruc s TRP 4 CO 0.03 -3.72 0.47 -2.30 -4.62 0.00 0.00 176.95 166.81 8ruc n PRO 5 N 6.18 0.25 -0.03 5.86 -0.02 -1.26 -4.99 135.00 140.99 8ruc n PRO 5 Ca 0.16 0.12 -0.04 0.00 -2.02 0.00 0.00 63.50 61.72 8ruc n PRO 5 Cb 0.42 -1.79 -0.04 0.00 -0.02 0.00 0.00 33.50 32.07 8ruc n PRO 5 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 8ruc n ILE 6 N -2.44 0.41 -3.54 4.25 -0.00 -1.26 -4.92 119.36 111.86 8ruc n ILE 6 Ca 0.09 -0.20 -0.35 0.00 -0.00 0.00 0.00 62.75 62.30 8ruc n ILE 6 Cb 0.50 -0.80 -0.05 0.00 -0.00 0.00 0.00 39.64 39.28 8ruc n ILE 6 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 8ruc s LEU 7 N -4.96 4.34 -1.34 1.39 1.43 -1.26 -4.36 118.68 113.93 8ruc s LEU 7 Ca -0.07 0.84 -0.08 0.00 -1.03 0.00 0.00 54.13 53.79 8ruc s LEU 7 Cb 0.02 -3.05 0.06 0.00 0.03 0.00 0.00 46.19 43.25 8ruc s LEU 7 CO 0.20 0.15 0.51 0.59 0.23 0.00 0.00 176.35 178.04 8ruc n ASN 8 N 0.86 -4.21 -2.26 2.29 3.02 -1.26 -4.89 115.26 108.81 8ruc n ASN 8 Ca -0.07 -0.36 -0.29 0.00 -0.03 0.00 0.00 54.58 53.83 8ruc n ASN 8 Cb 0.52 -3.46 0.03 0.00 -0.61 0.00 0.00 39.78 36.26 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 -3.78 5.79 -4.77 3.41 4.77 -1.26 -5.03 117.00 116.13 8ruc n LEU 9 Ca -0.04 -4.73 -0.40 0.00 -0.03 0.00 0.00 56.01 50.81 8ruc n LEU 9 Cb 0.56 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 8ruc n LEU 9 CO 0.50 1.95 0.92 -0.54 -1.33 0.00 0.00 177.39 178.89 8ruc s LYS 10 N -3.69 4.35 0.36 3.23 -0.14 -1.26 -5.03 119.74 117.57 8ruc s LYS 10 Ca 0.54 2.09 0.08 0.00 -1.36 0.00 0.00 55.97 57.32 8ruc s LYS 10 Cb 0.43 -3.03 -0.05 0.00 -1.68 0.00 0.00 37.83 33.51 8ruc s LYS 10 CO -0.05 -0.15 0.10 0.15 -0.76 0.00 0.00 175.35 174.64 8ruc s LYS 11 N -1.82 2.19 -0.34 1.68 -0.14 -1.26 -5.09 119.74 114.96 8ruc s LYS 11 Ca 0.50 -1.74 0.14 0.00 -1.36 0.00 0.00 55.97 53.50 8ruc s LYS 11 Cb -0.37 -1.99 0.46 0.00 -1.68 0.00 0.00 37.83 34.24 8ruc s LYS 11 CO 0.49 0.05 1.05 0.66 -0.76 0.00 0.00 175.35 176.83 8ruc n TYR 12 N -1.09 1.99 -4.72 3.18 4.02 -1.26 -5.10 117.16 114.17 8ruc n TYR 12 Ca -0.03 -2.72 0.00 0.00 -0.01 0.00 0.00 57.90 55.14 8ruc n TYR 12 Cb 0.63 -0.27 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 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 -0.34 0.00 -1.66 -0.72 -0.58 -1.26 -4.48 120.64 111.60 8ruc n GLU 13 Ca 0.21 0.00 -0.55 0.00 -0.42 0.00 0.00 57.16 56.40 8ruc n GLU 13 Cb 0.79 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.59 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 0.20 -0.14 2.62 -1.04 -1.26 -1.98 114.28 112.67 8ruc n THR 14 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 8ruc n THR 14 Cb 0.00 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.39 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 4.31 0.00 0.00 -4.42 4.77 -1.26 -4.59 117.00 115.81 8ruc n LEU 15 Ca 0.23 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.32 8ruc n LEU 15 Cb 0.17 0.00 0.64 0.00 -2.33 0.00 0.00 43.42 41.90 8ruc n LEU 15 CO 0.73 0.00 0.84 -1.54 -1.33 0.00 0.00 177.39 176.09 8ruc n SER 16 N 0.00 0.00 -0.81 -1.43 3.41 -0.84 -2.41 113.62 111.54 8ruc n SER 16 Ca 0.00 -0.65 0.10 0.00 -0.26 0.00 0.00 58.87 58.06 8ruc n SER 16 Cb 0.00 -0.01 0.09 0.00 -0.26 0.00 0.00 64.21 64.03 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 -1.01 0.06 -3.33 7.33 4.02 -1.26 -4.79 117.16 118.17 8ruc n TYR 17 Ca 0.16 -0.03 -0.18 0.00 -0.01 0.00 0.00 57.90 57.83 8ruc n TYR 17 Cb 0.08 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 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 -1.59 3.88 0.85 7.72 1.43 -1.01 -5.08 118.68 124.88 8ruc s LEU 18 Ca 0.24 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 52.98 8ruc s LEU 18 Cb 0.17 -2.74 0.11 0.00 0.03 0.00 0.00 46.19 43.76 8ruc s LEU 18 CO 0.25 -0.53 1.18 -2.84 0.23 0.00 0.00 176.35 174.64 8ruc s PRO 19 N -4.23 1.38 0.30 1.29 0.02 -1.26 -4.86 135.00 127.63 8ruc s PRO 19 Ca 0.48 1.67 -0.29 0.00 0.02 0.00 0.00 61.00 62.87 8ruc s PRO 19 Cb -0.10 -1.76 -0.13 0.00 0.02 0.00 0.00 34.50 32.54 8ruc s PRO 19 CO 0.32 -2.39 1.36 -0.35 -0.33 0.00 0.00 177.00 175.61 8ruc n PRO 20 N -3.70 2.15 -1.99 5.54 -0.04 -1.26 -4.90 135.00 130.80 8ruc n PRO 20 Ca 0.13 0.76 -0.41 0.00 -0.04 0.00 0.00 63.50 63.94 8ruc n PRO 20 Cb 0.51 -2.39 -0.02 0.00 -0.04 0.00 0.00 33.50 31.57 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 -0.57 4.38 0.72 1.53 1.43 -1.26 -5.03 118.68 119.88 8ruc s LEU 21 Ca 0.61 2.78 -0.06 0.00 -1.03 0.00 0.00 54.13 56.42 8ruc s LEU 21 Cb -0.59 -3.64 0.08 0.00 0.03 0.00 0.00 46.19 42.07 8ruc s LEU 21 CO 0.56 -0.70 1.02 0.42 0.23 0.00 0.00 176.35 177.89 8ruc s THR 22 N -0.63 2.26 0.17 5.49 -4.23 -1.26 -4.83 115.64 112.62 8ruc s THR 22 Ca 0.55 -0.33 -0.15 0.00 -1.18 0.00 0.00 61.69 60.58 8ruc s THR 22 Cb -0.43 -2.93 0.07 0.00 1.34 0.00 0.00 72.50 70.55 8ruc s THR 22 CO 0.51 0.00 1.73 0.74 -0.54 0.00 0.00 174.62 177.06 8ruc h THR 23 N -0.64 0.78 -0.43 3.99 2.02 -1.99 0.18 112.91 116.83 8ruc h THR 23 Ca -0.43 -0.08 -0.07 0.00 0.77 0.00 0.00 66.41 66.61 8ruc h THR 23 Cb 1.30 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 8ruc h THR 23 CO 0.54 0.04 -0.01 0.44 0.37 0.00 0.00 175.52 176.90 8ruc h ASP 24 N 0.22 0.67 -0.47 4.18 3.32 -1.99 -1.48 116.42 120.86 8ruc h ASP 24 Ca 0.20 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 8ruc h ASP 24 Cb 0.25 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 8ruc h ASP 24 CO -0.26 0.75 -0.06 1.56 -1.72 0.00 0.00 179.24 179.50 8ruc h GLN 25 N 0.66 0.88 -0.33 3.56 4.20 -1.70 -1.10 115.11 121.27 8ruc h GLN 25 Ca 0.13 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 8ruc h GLN 25 Cb 0.43 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 8ruc h GLN 25 CO 0.02 0.95 0.18 1.25 -0.67 0.00 0.00 178.83 180.55 8ruc h LEU 26 N 0.72 0.42 -0.71 1.46 5.85 -0.72 -2.30 115.31 120.03 8ruc h LEU 26 Ca 0.13 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 8ruc h LEU 26 Cb 0.59 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 8ruc h LEU 26 CO 0.04 0.39 0.43 0.00 -0.34 0.00 0.00 178.44 178.96 8ruc h ALA 27 N 1.04 0.90 -0.85 1.25 0.00 -1.15 -2.46 119.26 118.00 8ruc h ALA 27 Ca 0.12 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.96 8ruc h ALA 27 Cb 0.07 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 8ruc h ALA 27 CO -0.02 0.37 0.56 0.00 0.00 0.00 0.00 179.25 180.16 8ruc h ARG 28 N 0.97 1.11 -0.50 0.00 2.47 -0.84 -0.07 114.38 117.51 8ruc h ARG 28 Ca 0.26 -0.07 -0.06 0.00 -1.26 0.00 0.00 59.98 58.85 8ruc h ARG 28 Cb -0.04 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.00 8ruc h ARG 28 CO -0.05 0.73 0.05 1.96 0.56 0.00 0.00 179.97 183.23 8ruc h GLN 29 N 1.14 0.81 -0.15 0.04 1.08 -0.98 -1.37 115.11 115.67 8ruc h GLN 29 Ca 0.31 -0.20 -0.17 0.00 -1.45 0.00 0.00 58.65 57.15 8ruc h GLN 29 Cb -0.12 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.20 8ruc h GLN 29 CO -0.07 0.78 -0.62 0.28 -0.95 0.00 0.00 178.83 178.25 8ruc h VAL 30 N 0.77 1.33 -0.30 -0.54 2.07 -0.88 -2.53 116.25 116.17 8ruc h VAL 30 Ca 0.16 -1.91 -0.01 0.00 0.82 0.00 0.00 66.70 65.76 8ruc h VAL 30 Cb 0.39 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 8ruc h VAL 30 CO 0.01 0.59 0.14 0.44 0.02 0.00 0.00 177.57 178.77 8ruc h ASP 31 N 0.39 0.40 -0.53 0.57 3.32 -0.78 -1.74 116.42 118.05 8ruc h ASP 31 Ca -0.01 -0.13 0.07 0.00 0.02 0.00 0.00 57.03 56.99 8ruc h ASP 31 Cb 1.18 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.57 8ruc h ASP 31 CO 0.11 0.41 0.21 0.22 -1.72 0.00 0.00 179.24 178.48 8ruc h TYR 32 N 0.35 0.37 -0.31 4.55 3.20 -1.19 0.45 116.97 124.40 8ruc h TYR 32 Ca 0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.00 8ruc h TYR 32 Cb 0.12 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 8ruc h TYR 32 CO -0.02 0.13 0.20 1.25 -1.64 0.00 0.00 178.16 178.08 8ruc h LEU 33 N 0.40 0.36 -0.84 2.82 5.85 -1.25 -2.73 115.31 119.93 8ruc h LEU 33 Ca 0.26 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.83 8ruc h LEU 33 Cb 0.27 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 8ruc h LEU 33 CO -0.24 0.28 -0.58 -0.07 -0.34 0.00 0.00 178.44 177.48 8ruc h LEU 34 N 0.41 0.00 -1.35 2.25 3.38 -0.66 -2.76 115.31 116.58 8ruc h LEU 34 Ca 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 8ruc h LEU 34 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 8ruc h LEU 34 CO -0.02 0.58 -0.28 0.78 0.09 0.00 0.00 178.44 179.59 8ruc h ASN 35 N 0.00 0.00 -0.41 -0.43 2.35 0.10 -2.31 115.58 114.87 8ruc h ASN 35 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 8ruc h ASN 35 Cb 1.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.40 8ruc h ASN 35 CO 0.08 0.28 0.00 0.59 -1.65 0.00 0.00 177.43 176.72 8ruc n ASN 36 N -3.70 2.42 -1.98 5.81 3.02 -1.05 -4.92 115.26 114.85 8ruc n ASN 36 Ca -0.01 -2.06 -0.18 0.00 -0.03 0.00 0.00 54.58 52.30 8ruc n ASN 36 Cb 0.39 -0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 39.22 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 0.69 -1.43 -3.06 3.52 4.76 -0.87 -5.01 118.16 116.76 8ruc n LYS 37 Ca 0.14 0.92 -0.29 0.00 -2.87 0.00 0.00 58.31 56.22 8ruc n LYS 37 Cb 0.40 -5.41 -0.03 0.00 -1.84 0.00 0.00 35.03 28.16 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 -2.88 3.49 -0.22 2.13 0.51 -1.06 -4.91 118.94 116.01 8ruc s TRP 38 Ca 0.00 0.79 -0.17 0.00 -2.12 0.00 0.00 56.10 54.61 8ruc s TRP 38 Cb 0.00 -2.24 -0.04 0.00 -0.81 0.00 0.00 33.47 30.38 8ruc s TRP 38 CO 0.00 0.00 0.43 0.08 -0.51 0.00 0.00 176.95 176.96 8ruc s VAL 39 N -2.30 5.16 0.51 4.03 1.01 -0.54 -4.57 120.40 123.70 8ruc s VAL 39 Ca 0.47 0.76 -0.18 0.00 0.00 0.00 0.00 61.98 63.03 8ruc s VAL 39 Cb -0.10 -3.76 -0.08 0.00 0.00 0.00 0.00 36.38 32.44 8ruc s VAL 39 CO 0.33 0.20 1.01 -2.84 0.00 0.00 0.00 175.10 173.81 8ruc s PRO 40 N 1.59 3.79 -0.17 2.72 0.02 -1.26 -0.76 135.00 140.92 8ruc s PRO 40 Ca 0.20 1.18 -0.28 0.00 0.02 0.00 0.00 61.00 62.12 8ruc s PRO 40 Cb -0.15 -2.10 0.07 0.00 0.02 0.00 0.00 34.50 32.34 8ruc s PRO 40 CO 0.09 -0.42 0.73 0.00 -0.33 0.00 0.00 177.00 177.07 8ruc s LEU 42 N -0.35 3.25 0.00 0.00 1.02 -1.26 -1.17 118.68 120.17 8ruc s LEU 42 Ca -0.05 -0.06 0.02 0.00 0.02 0.00 0.00 54.13 54.06 8ruc s LEU 42 Cb -0.03 -1.81 -0.01 0.00 0.02 0.00 0.00 46.19 44.37 8ruc s LEU 42 CO 0.04 0.31 -0.07 -1.61 0.02 0.00 0.00 176.35 175.05 8ruc s GLU 43 N -1.22 0.54 0.12 1.70 2.02 -0.84 -1.05 118.70 119.97 8ruc s GLU 43 Ca 0.16 -0.31 0.03 0.00 0.02 0.00 0.00 54.97 54.87 8ruc s GLU 43 Cb -0.11 -0.49 -0.04 0.00 0.10 0.00 0.00 34.13 33.58 8ruc s GLU 43 CO 0.06 0.13 -0.09 -0.59 0.02 0.00 0.00 175.26 174.79 8ruc s PHE 44 N -0.32 1.06 -0.21 1.61 -0.71 0.02 -1.32 117.98 118.10 8ruc s PHE 44 Ca 0.01 -0.80 -0.16 0.00 -1.04 0.00 0.00 56.93 54.95 8ruc s PHE 44 Cb -0.04 -0.57 0.06 0.00 -1.21 0.00 0.00 43.02 41.26 8ruc s PHE 44 CO -0.00 -0.03 0.54 -2.00 -1.34 0.00 0.00 175.22 172.39 8ruc s GLU 45 N -3.55 0.58 -0.12 1.99 2.56 -0.77 -1.11 118.70 118.28 8ruc s GLU 45 Ca 0.12 0.85 0.01 0.00 0.00 0.00 0.00 54.97 55.95 8ruc s GLU 45 Cb 0.02 0.19 -0.08 0.00 2.00 0.00 0.00 34.13 36.26 8ruc s GLU 45 CO -0.02 -0.11 -0.11 0.25 -0.56 0.00 0.00 175.26 174.72 8ruc n THR 46 N 3.47 0.68 0.08 -1.70 -2.24 -1.26 -1.00 114.28 112.32 8ruc n THR 46 Ca -0.17 -0.26 -0.18 0.00 -2.27 0.00 0.00 64.05 61.17 8ruc n THR 46 Cb 0.56 -0.93 -0.14 0.00 -2.10 0.00 0.00 70.33 67.72 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 -0.01 0.47 -2.87 3.42 5.19 -1.97 -3.43 116.42 117.22 8ruc h ASP 47 Ca -0.27 -0.59 -0.60 0.00 -0.62 0.00 0.00 57.03 54.96 8ruc h ASP 47 Cb 1.41 -0.15 -0.39 0.00 0.18 0.00 0.00 39.33 40.38 8ruc h ASP 47 CO -0.04 1.48 -0.82 -1.00 -3.12 0.00 0.00 179.24 175.74 8ruc s HIS 48 N -2.62 1.61 -0.40 4.55 3.76 -1.26 -4.96 115.29 115.97 8ruc s HIS 48 Ca -0.08 -2.33 0.24 0.00 -0.15 0.00 0.00 55.06 52.75 8ruc s HIS 48 Cb 0.06 -1.45 1.04 0.00 1.11 0.00 0.00 32.58 33.34 8ruc s HIS 48 CO 0.87 -0.78 1.74 0.78 -0.85 0.00 0.00 174.74 176.50 8ruc h GLY 49 N 6.27 0.00 -4.26 -2.22 0.00 -1.88 -3.44 103.07 97.53 8ruc h GLY 49 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.16 8ruc h GLY 49 CO 0.43 0.00 -0.73 -1.36 0.00 0.00 0.00 176.54 174.87 8ruc s PHE 50 N -3.37 0.82 0.60 5.60 0.08 -1.26 -5.12 117.98 115.33 8ruc s PHE 50 Ca 0.03 -0.59 -0.20 0.00 0.12 0.00 0.00 56.93 56.29 8ruc s PHE 50 Cb 0.09 -0.48 -0.03 0.00 -0.57 0.00 0.00 43.02 42.03 8ruc s PHE 50 CO 0.39 -0.07 1.31 0.28 -0.10 0.00 0.00 175.22 177.03 8ruc n VAL 51 N 1.04 4.43 -4.02 -0.44 0.31 -1.26 -4.79 118.33 113.59 8ruc n VAL 51 Ca -0.20 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 63.50 8ruc n VAL 51 Cb 0.56 -1.56 -0.02 0.00 -0.91 0.00 0.00 33.84 31.91 8ruc n VAL 51 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 8ruc s TYR 52 N -1.34 0.85 -0.34 3.52 1.13 -0.25 -4.99 117.35 115.92 8ruc s TYR 52 Ca 0.78 -1.19 -0.01 0.00 -1.41 0.00 0.00 57.07 55.24 8ruc s TYR 52 Cb -0.40 0.15 0.12 0.00 -1.10 0.00 0.00 41.96 40.74 8ruc s TYR 52 CO 0.44 -1.27 0.18 1.03 -2.51 0.00 0.00 175.55 173.43 8ruc s ARG 53 N -2.79 0.59 -0.19 -3.49 0.52 -1.26 -0.19 118.95 112.14 8ruc s ARG 53 Ca 0.27 -1.21 -0.06 0.00 -0.52 0.00 0.00 55.73 54.21 8ruc s ARG 53 Cb -0.02 -1.51 -0.10 0.00 0.52 0.00 0.00 34.95 33.85 8ruc s ARG 53 CO 0.19 -1.13 -0.22 -1.91 0.02 0.00 0.00 175.30 172.25 8ruc n GLU 54 N 4.35 0.43 0.03 3.54 2.13 -1.26 -4.75 120.64 125.11 8ruc n GLU 54 Ca 0.05 0.15 0.12 0.00 0.66 0.00 0.00 57.16 58.15 8ruc n GLU 54 Cb 0.38 -1.26 0.19 0.00 0.27 0.00 0.00 31.44 31.02 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 -3.56 0.26 -3.55 4.31 8.25 -1.26 -4.98 115.22 114.69 8ruc n HIS 55 Ca -0.36 0.08 -0.08 0.00 -0.26 0.00 0.00 57.72 57.10 8ruc n HIS 55 Cb 0.80 -0.44 -0.03 0.00 1.12 0.00 0.00 29.99 31.44 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 -3.10 -0.29 -0.06 4.41 2.46 -1.26 -5.05 115.29 112.40 8ruc s HIS 56 Ca 0.08 0.29 0.16 0.00 0.47 0.00 0.00 55.06 56.06 8ruc s HIS 56 Cb 0.15 0.51 0.32 0.00 -0.13 0.00 0.00 32.58 33.43 8ruc s HIS 56 CO 0.72 -0.40 1.14 0.09 -2.47 0.00 0.00 174.74 173.83 8ruc n ASN 57 N 0.07 1.08 -4.91 9.88 3.02 -1.26 -4.81 115.26 118.34 8ruc n ASN 57 Ca -0.07 -2.54 -0.28 0.00 -0.03 0.00 0.00 54.58 51.67 8ruc n ASN 57 Cb 0.60 -0.34 0.03 0.00 -0.61 0.00 0.00 39.78 39.46 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 -2.15 5.60 0.13 6.41 1.04 -1.26 -4.97 113.70 118.50 8ruc s SER 58 Ca 0.27 0.83 -0.35 0.00 0.48 0.00 0.00 55.95 57.19 8ruc s SER 58 Cb 0.29 -1.80 -0.15 0.00 0.10 0.00 0.00 66.02 64.46 8ruc s SER 58 CO -0.09 -1.10 1.47 -2.65 0.98 0.00 0.00 173.24 171.84 8ruc n PRO 59 N -2.67 1.71 -0.49 4.02 -0.02 -1.26 -1.84 135.00 134.46 8ruc n PRO 59 Ca 0.05 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 8ruc n PRO 59 Cb 0.57 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 2.99 1.91 3.69 -1.23 0.00 -1.26 -5.01 105.19 106.29 8ruc n GLY 60 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.44 3.40 -0.06 1.61 6.14 -0.77 -5.06 117.35 119.17 8ruc s TYR 61 Ca 0.00 0.59 -0.09 0.00 0.64 0.00 0.00 57.07 58.21 8ruc s TYR 61 Cb 0.00 -2.44 0.02 0.00 0.42 0.00 0.00 41.96 39.96 8ruc s TYR 61 CO 0.00 0.09 0.23 0.71 0.64 0.00 0.00 175.55 177.21 8ruc s TYR 62 N 0.97 -0.19 0.19 4.97 2.02 -1.26 -4.69 117.35 119.37 8ruc s TYR 62 Ca 0.17 0.43 -0.02 0.00 -0.37 0.00 0.00 57.07 57.28 8ruc s TYR 62 Cb -0.14 0.06 -0.05 0.00 -0.40 0.00 0.00 41.96 41.43 8ruc s TYR 62 CO 0.06 -0.19 0.40 -0.51 -1.57 0.00 0.00 175.55 173.74 8ruc s ASP 63 N -0.38 6.42 0.00 2.29 1.01 0.73 -4.47 116.67 122.27 8ruc s ASP 63 Ca -0.05 0.48 0.00 0.00 0.71 0.00 0.00 52.55 53.69 8ruc s ASP 63 Cb -0.03 -2.04 0.00 0.00 1.01 0.00 0.00 42.92 41.85 8ruc s ASP 63 CO 0.01 -0.03 0.00 0.61 0.21 0.00 0.00 175.17 175.97 8ruc n GLY 64 N -0.48 0.69 0.10 0.21 0.00 -1.26 -1.09 105.19 103.36 8ruc n GLY 64 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 4.16 0.22 -6.05 1.61 3.08 -1.93 -3.40 114.38 112.07 8ruc h ARG 65 Ca 0.00 -0.38 -0.57 0.00 0.07 0.00 0.00 59.98 59.10 8ruc h ARG 65 Cb 0.00 0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 8ruc h ARG 65 CO 0.00 1.18 0.28 0.71 -1.07 0.00 0.00 179.97 181.06 8ruc s TYR 66 N -2.66 3.51 0.35 3.04 2.02 -1.26 -5.05 117.35 117.30 8ruc s TYR 66 Ca -0.03 1.32 0.03 0.00 -0.37 0.00 0.00 57.07 58.02 8ruc s TYR 66 Cb 0.08 -2.95 0.03 0.00 -0.40 0.00 0.00 41.96 38.71 8ruc s TYR 66 CO 0.87 -0.09 0.27 0.91 -1.57 0.00 0.00 175.55 175.94 8ruc n TRP 67 N 4.50 -0.97 -4.17 2.71 7.02 -1.26 -5.09 117.44 120.18 8ruc n TRP 67 Ca 0.03 -1.48 -0.35 0.00 -1.02 0.00 0.00 57.50 54.68 8ruc n TRP 67 Cb 0.50 -0.29 -0.09 0.00 -2.42 0.00 0.00 31.31 29.02 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 -1.72 4.72 0.15 -0.99 -1.32 -0.27 -4.90 115.64 111.30 8ruc s THR 68 Ca 0.20 -0.09 -0.30 0.00 -1.21 0.00 0.00 61.69 60.29 8ruc s THR 68 Cb -0.02 -3.03 -0.08 0.00 -1.51 0.00 0.00 72.50 67.86 8ruc s THR 68 CO 0.13 0.58 1.30 -0.32 -2.21 0.00 0.00 174.62 174.09 8ruc s MET 69 N -0.65 4.39 -0.52 7.08 1.75 -1.26 -0.80 119.30 129.29 8ruc s MET 69 Ca 0.11 1.98 -0.21 0.00 -1.25 0.00 0.00 55.69 56.33 8ruc s MET 69 Cb -0.12 -3.24 0.05 0.00 2.84 0.00 0.00 34.83 34.36 8ruc s MET 69 CO 0.02 -0.28 0.73 -0.46 -0.65 0.00 0.00 175.02 174.38 8ruc s TRP 70 N 0.54 2.97 0.00 4.11 -0.11 -0.21 -4.89 118.94 121.34 8ruc s TRP 70 Ca 0.59 -0.37 0.00 0.00 1.22 0.00 0.00 56.10 57.54 8ruc s TRP 70 Cb -0.35 -3.71 0.00 0.00 -1.50 0.00 0.00 33.47 27.91 8ruc s TRP 70 CO 0.34 -1.13 0.00 1.63 -4.62 0.00 0.00 176.95 173.17 8ruc n LYS 71 N 6.59 0.00 -3.98 5.86 5.02 -1.26 -4.51 118.16 125.87 8ruc n LYS 71 Ca -0.04 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.16 8ruc n LYS 71 Cb 0.46 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.39 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 1.57 0.50 -0.35 1.43 -1.26 -5.10 118.68 115.47 8ruc s LEU 72 Ca 0.00 -0.88 -0.23 0.00 -1.03 0.00 0.00 54.13 51.99 8ruc s LEU 72 Cb 0.00 0.78 -0.07 0.00 0.03 0.00 0.00 46.19 46.93 8ruc s LEU 72 CO 0.00 -0.75 1.30 -2.65 0.23 0.00 0.00 176.35 174.48 8ruc n PRO 73 N -0.07 1.75 -2.13 1.29 -0.02 -1.26 -4.83 135.00 129.73 8ruc n PRO 73 Ca -0.11 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 8ruc n PRO 73 Cb 0.62 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 -0.56 3.45 -1.74 -0.52 2.81 -0.13 -4.98 117.12 115.44 8ruc n MET 74 Ca 0.09 -3.23 -0.42 0.00 -1.81 0.00 0.00 57.70 52.33 8ruc n MET 74 Cb 0.43 -3.01 -0.02 0.00 -0.71 0.00 0.00 33.22 29.91 8ruc n MET 74 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 8ruc s PHE 75 N 1.13 2.81 0.00 2.03 0.08 -1.26 -1.81 117.98 120.95 8ruc s PHE 75 Ca 0.43 0.56 0.00 0.00 0.12 0.00 0.00 56.93 58.04 8ruc s PHE 75 Cb 0.11 -4.12 0.00 0.00 -0.57 0.00 0.00 43.02 38.45 8ruc s PHE 75 CO -0.03 -3.99 0.00 0.41 -0.10 0.00 0.00 175.22 171.52 8ruc n GLY 76 N 2.99 1.52 3.75 4.36 0.00 -1.26 -5.01 105.19 111.55 8ruc n GLY 76 Ca 0.12 0.00 -0.41 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 1.93 0.00 -3.75 0.00 -2.24 -1.26 -5.00 114.28 103.97 8ruc n THR 78 Ca 0.05 -0.14 -0.37 0.00 -2.27 0.00 0.00 64.05 61.32 8ruc n THR 78 Cb 0.40 1.45 -0.12 0.00 -2.10 0.00 0.00 70.33 69.96 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 -0.10 5.15 0.56 3.42 2.15 -1.26 -4.97 116.67 121.62 8ruc s ASP 79 Ca 0.00 -0.47 0.25 0.00 0.43 0.00 0.00 52.55 52.76 8ruc s ASP 79 Cb 0.00 -1.91 1.61 0.00 -0.30 0.00 0.00 42.92 42.33 8ruc s ASP 79 CO 0.00 -0.12 2.21 -0.65 -0.17 0.00 0.00 175.17 176.44 8ruc h PRO 80 N 8.25 0.00 -0.25 4.34 0.11 -1.96 -1.48 132.00 141.01 8ruc h PRO 80 Ca -0.35 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 8ruc h PRO 80 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 8ruc h PRO 80 CO 0.60 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.37 8ruc h ALA 81 N 2.00 1.50 -0.08 -0.75 0.00 -1.99 -2.21 119.26 117.73 8ruc h ALA 81 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 8ruc h ALA 81 Cb 0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 8ruc h ALA 81 CO 0.00 0.36 0.05 1.96 0.00 0.00 0.00 179.25 181.62 8ruc h GLN 82 N 0.37 0.11 -0.09 0.00 4.20 -1.69 -0.32 115.11 117.69 8ruc h GLN 82 Ca 0.08 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 8ruc h GLN 82 Cb 0.28 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 8ruc h GLN 82 CO 0.01 0.08 0.04 0.28 -0.67 0.00 0.00 178.83 178.57 8ruc h VAL 83 N 0.10 1.11 -0.26 -0.54 2.07 -1.56 -1.79 116.25 115.38 8ruc h VAL 83 Ca 0.03 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 8ruc h VAL 83 Cb -0.00 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 8ruc h VAL 83 CO -0.01 0.10 0.08 -0.07 0.02 0.00 0.00 177.57 177.69 8ruc h LEU 84 N 0.02 0.33 -0.34 2.57 3.38 -1.26 -0.42 115.31 119.59 8ruc h LEU 84 Ca 0.03 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 8ruc h LEU 84 Cb 0.12 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 8ruc h LEU 84 CO -0.00 0.33 -0.83 0.78 0.09 0.00 0.00 178.44 178.81 8ruc h ASN 85 N 0.37 0.33 0.06 -0.43 2.35 -0.88 -2.03 115.58 115.35 8ruc h ASN 85 Ca 0.09 -0.25 -0.11 0.00 -0.55 0.00 0.00 56.30 55.49 8ruc h ASN 85 Cb 0.12 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 8ruc h ASN 85 CO -0.01 1.02 -0.35 -0.33 -1.65 0.00 0.00 177.43 176.11 8ruc h GLU 86 N 0.16 0.40 -0.48 0.81 4.39 -0.60 -1.51 114.58 117.75 8ruc h GLU 86 Ca -0.04 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.48 8ruc h GLU 86 Cb 1.43 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.05 8ruc h GLU 86 CO 0.13 0.71 0.29 1.25 -1.16 0.00 0.00 179.01 180.23 8ruc h LEU 87 N 0.34 0.57 -0.59 1.33 5.85 -0.82 0.11 115.31 122.11 8ruc h LEU 87 Ca 0.04 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 8ruc h LEU 87 Cb 0.79 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 8ruc h LEU 87 CO 0.06 0.46 0.17 -0.33 -0.34 0.00 0.00 178.44 178.46 8ruc h GLU 88 N 0.64 0.93 -0.74 1.25 4.39 -1.03 0.37 114.58 120.39 8ruc h GLU 88 Ca 0.17 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 8ruc h GLU 88 Cb -0.01 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 8ruc h GLU 88 CO -0.03 0.84 0.29 1.49 -1.16 0.00 0.00 179.01 180.43 8ruc h GLU 89 N 0.84 1.12 -0.43 2.33 4.81 -0.89 -0.42 114.58 121.94 8ruc h GLU 89 Ca 0.19 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 8ruc h GLU 89 Cb 0.31 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 8ruc h GLU 89 CO -0.00 0.92 0.08 0.00 -0.73 0.00 0.00 179.01 179.28 8ruc h LYS 91 N 0.57 1.19 -0.13 0.00 1.57 -0.61 0.24 116.57 119.40 8ruc h LYS 91 Ca 0.13 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 8ruc h LYS 91 Cb 0.36 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 8ruc h LYS 91 CO 0.01 0.81 -0.41 1.57 -0.57 0.00 0.00 179.45 180.86 8ruc h LYS 92 N 1.21 0.30 0.00 3.15 5.09 -0.83 -2.20 116.57 123.29 8ruc h LYS 92 Ca 0.32 -0.15 -0.20 0.00 0.09 0.00 0.00 60.65 60.72 8ruc h LYS 92 Cb -0.10 -0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.20 8ruc h LYS 92 CO -0.07 0.67 -1.05 1.49 -2.09 0.00 0.00 179.45 178.40 8ruc h GLU 93 N 0.25 0.00 -2.07 0.07 4.81 -0.72 -3.40 114.58 113.52 8ruc h GLU 93 Ca 0.02 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.68 8ruc h GLU 93 Cb 0.84 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.82 8ruc h GLU 93 CO 0.07 0.77 -0.99 0.66 -0.73 0.00 0.00 179.01 178.79 8ruc n TYR 94 N -3.24 0.46 0.54 0.92 4.01 0.79 -4.94 117.16 115.70 8ruc n TYR 94 Ca -0.03 -3.68 0.10 0.00 -0.16 0.00 0.00 57.90 54.13 8ruc n TYR 94 Cb 0.91 -0.36 0.41 0.00 -0.31 0.00 0.00 39.34 39.99 8ruc n TYR 94 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 8ruc n PRO 95 N 1.37 0.08 -0.17 -0.72 -0.04 -0.84 -2.31 135.00 132.38 8ruc n PRO 95 Ca 0.23 0.27 0.12 0.00 -0.04 0.00 0.00 63.50 64.08 8ruc n PRO 95 Cb 0.50 -1.64 0.23 0.00 -0.04 0.00 0.00 33.50 32.55 8ruc n PRO 95 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 8ruc n ASN 96 N -1.78 3.29 -4.77 3.54 6.94 -1.26 -4.53 115.26 116.69 8ruc n ASN 96 Ca 0.04 -1.97 -0.22 0.00 -0.02 0.00 0.00 54.58 52.40 8ruc n ASN 96 Cb 0.23 -0.23 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 8ruc n ASN 96 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 8ruc s ALA 97 N -1.54 3.48 0.10 -2.53 0.00 -0.98 -4.74 121.76 115.55 8ruc s ALA 97 Ca 0.38 -1.53 -0.18 0.00 0.00 0.00 0.00 51.96 50.63 8ruc s ALA 97 Cb 0.22 -1.11 -0.07 0.00 0.00 0.00 0.00 23.12 22.17 8ruc s ALA 97 CO 0.31 0.23 0.57 -0.06 0.00 0.00 0.00 175.76 176.81 8ruc s PHE 98 N -2.22 3.76 -0.06 0.00 0.40 -0.17 -3.64 117.98 116.04 8ruc s PHE 98 Ca 0.33 1.24 -0.00 0.00 -0.60 0.00 0.00 56.93 57.90 8ruc s PHE 98 Cb -0.07 -2.48 0.03 0.00 0.51 0.00 0.00 43.02 41.01 8ruc s PHE 98 CO 0.23 0.54 -0.02 0.42 0.70 0.00 0.00 175.22 177.09 8ruc s ILE 99 N -1.21 0.49 0.19 0.64 1.01 -0.18 -1.84 121.20 120.29 8ruc s ILE 99 Ca 0.32 -0.01 0.11 0.00 0.00 0.00 0.00 60.65 61.07 8ruc s ILE 99 Cb -0.18 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 8ruc s ILE 99 CO 0.19 0.25 -0.24 0.00 0.00 0.00 0.00 174.94 175.14 8ruc s ARG 100 N 1.50 1.49 -0.14 2.79 1.70 -0.44 0.17 118.95 126.02 8ruc s ARG 100 Ca -0.02 -1.50 -0.03 0.00 -0.47 0.00 0.00 55.73 53.71 8ruc s ARG 100 Cb -0.13 -1.82 -0.03 0.00 -0.57 0.00 0.00 34.95 32.40 8ruc s ARG 100 CO -0.03 0.40 -0.03 0.42 -1.08 0.00 0.00 175.30 174.98 8ruc s ILE 101 N -1.63 4.01 0.17 4.99 1.01 -0.07 -1.98 121.20 127.69 8ruc s ILE 101 Ca 0.20 -0.33 0.09 0.00 0.00 0.00 0.00 60.65 60.61 8ruc s ILE 101 Cb -0.08 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 8ruc s ILE 101 CO 0.09 0.51 -0.18 0.27 0.00 0.00 0.00 174.94 175.64 8ruc s ILE 102 N 0.11 1.84 -0.11 2.92 -4.36 -0.32 -1.71 121.20 119.57 8ruc s ILE 102 Ca -0.00 -1.97 -0.01 0.00 -0.26 0.00 0.00 60.65 58.41 8ruc s ILE 102 Cb -0.13 -1.89 0.03 0.00 1.25 0.00 0.00 42.46 41.71 8ruc s ILE 102 CO 0.02 -0.35 -0.06 -0.83 0.24 0.00 0.00 174.94 173.97 8ruc s GLY 103 N -2.78 0.77 0.05 6.27 0.00 -0.57 -1.58 107.32 109.48 8ruc s GLY 103 Ca 0.17 -0.49 -0.20 0.00 0.00 0.00 0.00 44.72 44.21 8ruc s GLY 103 CO 0.07 0.89 0.58 -1.36 0.00 0.00 0.00 173.10 173.28 8ruc s PHE 104 N 1.76 3.77 -0.43 1.90 0.08 0.06 -0.17 117.98 124.95 8ruc s PHE 104 Ca 0.05 1.26 -0.08 0.00 0.12 0.00 0.00 56.93 58.27 8ruc s PHE 104 Cb -0.13 -2.53 0.10 0.00 -0.57 0.00 0.00 43.02 39.89 8ruc s PHE 104 CO -0.08 0.52 0.27 0.34 -0.10 0.00 0.00 175.22 176.17 8ruc s ASP 105 N -0.85 5.56 0.42 1.36 -1.08 0.03 -1.47 116.67 120.64 8ruc s ASP 105 Ca 0.30 -1.71 0.15 0.00 -0.52 0.00 0.00 52.55 50.77 8ruc s ASP 105 Cb -0.19 -1.96 0.92 0.00 -1.46 0.00 0.00 42.92 40.23 8ruc s ASP 105 CO 0.19 -0.58 1.93 0.77 0.52 0.00 0.00 175.17 178.00 8ruc h SER 106 N 8.34 0.00 -0.43 -0.34 4.64 -1.91 0.86 113.55 124.71 8ruc h SER 106 Ca -0.21 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.09 8ruc h SER 106 Cb 1.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 8ruc h SER 106 CO 0.77 0.26 0.18 0.78 -0.87 0.00 0.00 176.83 177.95 8ruc h ASN 107 N 0.00 0.60 0.47 4.97 2.35 -1.96 -3.10 115.58 118.91 8ruc h ASN 107 Ca -0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 8ruc h ASN 107 Cb 0.47 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.69 8ruc h ASN 107 CO 0.03 0.59 -1.49 0.54 -1.65 0.00 0.00 177.43 175.45 8ruc n ARG 108 N -4.62 0.61 -3.26 0.81 1.74 -1.16 -5.00 116.66 105.79 8ruc n ARG 108 Ca 0.01 -0.04 -0.15 0.00 -0.77 0.00 0.00 57.85 56.89 8ruc n ARG 108 Cb 0.14 -1.66 0.08 0.00 -1.02 0.00 0.00 32.46 30.00 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 -2.43 -5.62 -4.00 5.56 2.13 0.30 -5.04 120.64 111.54 8ruc n GLU 109 Ca -0.02 0.76 -0.13 0.00 0.66 0.00 0.00 57.16 58.44 8ruc n GLU 109 Cb 0.55 -5.50 -0.13 0.00 0.27 0.00 0.00 31.44 26.63 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 -3.32 0.21 -0.32 6.31 -7.23 -0.99 -4.97 120.40 110.09 8ruc s VAL 110 Ca 0.03 -0.39 -0.29 0.00 -1.81 0.00 0.00 61.98 59.52 8ruc s VAL 110 Cb -0.00 -0.24 0.01 0.00 0.56 0.00 0.00 36.38 36.71 8ruc s VAL 110 CO 0.65 -0.12 1.19 -1.10 -0.31 0.00 0.00 175.10 175.41 8ruc s GLN 111 N -0.54 3.98 0.00 4.82 -0.21 -1.26 -0.79 119.66 125.66 8ruc s GLN 111 Ca -0.04 1.13 0.25 0.00 0.02 0.00 0.00 55.36 56.72 8ruc s GLN 111 Cb -0.04 -3.82 0.46 0.00 1.00 0.00 0.00 33.01 30.62 8ruc s GLN 111 CO -0.00 -1.03 1.38 0.00 -2.12 0.00 0.00 175.29 173.51 8ruc s ILE 113 N -2.73 0.22 -0.30 0.00 -1.09 -1.17 -4.95 121.20 111.17 8ruc s ILE 113 Ca 0.17 -0.35 -0.13 0.00 -2.23 0.00 0.00 60.65 58.11 8ruc s ILE 113 Cb 0.18 -0.24 0.17 0.00 -1.58 0.00 0.00 42.46 41.00 8ruc s ILE 113 CO 0.63 -0.09 0.99 -0.55 -1.23 0.00 0.00 174.94 174.69 8ruc s SER 114 N -0.47 -0.59 -0.06 3.58 0.15 -1.25 -1.51 113.70 113.56 8ruc s SER 114 Ca -0.03 0.52 -0.20 0.00 0.70 0.00 0.00 55.95 56.94 8ruc s SER 114 Cb -0.03 1.55 0.04 0.00 -1.71 0.00 0.00 66.02 65.87 8ruc s SER 114 CO -0.00 -0.11 0.46 0.72 1.20 0.00 0.00 173.24 175.51 8ruc s PHE 115 N 2.73 -0.41 0.06 3.44 -0.12 -0.69 -4.41 117.98 118.58 8ruc s PHE 115 Ca 0.01 0.75 -0.31 0.00 -0.05 0.00 0.00 56.93 57.33 8ruc s PHE 115 Cb -0.09 0.21 -0.06 0.00 -0.63 0.00 0.00 43.02 42.45 8ruc s PHE 115 CO -0.15 -0.43 1.29 -1.50 -0.05 0.00 0.00 175.22 174.38 8ruc s ILE 116 N -0.97 3.76 -0.09 -4.49 1.10 -1.26 -0.89 121.20 118.37 8ruc s ILE 116 Ca -0.10 1.25 0.10 0.00 -0.51 0.00 0.00 60.65 61.38 8ruc s ILE 116 Cb -0.03 -3.80 -0.14 0.00 0.15 0.00 0.00 42.46 38.64 8ruc s ILE 116 CO 0.05 0.08 0.25 0.00 -2.11 0.00 0.00 174.94 173.21 8ruc n ALA 117 N 4.20 2.51 -3.30 1.50 0.00 0.13 -4.90 120.51 120.65 8ruc n ALA 117 Ca 0.10 -0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.17 8ruc n ALA 117 Cb 0.45 -0.34 -0.10 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.55 -0.44 -0.03 0.00 5.04 -0.63 -4.98 117.35 113.76 8ruc s TYR 118 Ca -0.02 1.08 0.02 0.00 -2.44 0.00 0.00 57.07 55.71 8ruc s TYR 118 Cb 0.06 0.15 0.01 0.00 0.35 0.00 0.00 41.96 42.53 8ruc s TYR 118 CO 0.40 -0.21 -0.09 0.15 -1.34 0.00 0.00 175.55 174.47 8ruc s LYS 119 N 0.21 1.02 1.01 4.97 1.02 -1.26 -1.01 119.74 125.70 8ruc s LYS 119 Ca -0.00 -0.28 -0.12 0.00 0.02 0.00 0.00 55.97 55.59 8ruc s LYS 119 Cb -0.03 -0.94 0.19 0.00 -0.52 0.00 0.00 37.83 36.54 8ruc s LYS 119 CO 0.01 0.07 1.08 -1.25 -0.92 0.00 0.00 175.35 174.33 8ruc s PRO 120 N 0.38 0.33 0.31 -1.68 0.04 -1.24 -4.89 135.00 128.24 8ruc s PRO 120 Ca -0.06 0.79 -0.29 0.00 0.04 0.00 0.00 61.00 61.48 8ruc s PRO 120 Cb -0.10 -1.70 -0.12 0.00 0.04 0.00 0.00 34.50 32.61 8ruc s PRO 120 CO 0.01 -2.87 1.41 0.00 0.04 0.00 0.00 177.00 175.59 8ruc n ALA 121 N -4.31 1.65 0.00 8.56 0.00 -1.26 -2.73 120.51 122.41 8ruc n ALA 121 Ca 0.06 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.87 8ruc n ALA 121 Cb 0.55 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 1.42 0.65 0.00 0.00 0.00 -1.26 -5.15 105.19 100.85 8ruc n GLY 122 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 8ruc n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60