#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p8c h TYR 3 N 0.00 -0.52 -0.28 -0.32 3.20 -1.99 -1.93 116.97 115.13 1p8c h TYR 3 Ca 0.00 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 1p8c h TYR 3 Cb 0.00 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1p8c h TYR 3 CO 0.00 -0.28 -0.05 -0.22 -1.64 0.00 0.00 178.16 175.98 1p8c h LYS 4 N -0.24 0.53 -1.02 1.82 1.63 -2.04 -1.29 116.57 115.95 1p8c h LYS 4 Ca 0.10 -0.19 0.25 0.00 -0.85 0.00 0.00 60.65 59.96 1p8c h LYS 4 Cb 0.40 -0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 31.90 1p8c h LYS 4 CO -0.29 0.72 0.65 0.87 -3.45 0.00 0.00 179.45 177.95 1p8c h LYS 5 N 0.29 0.44 0.10 1.90 1.57 -1.95 0.42 116.57 119.34 1p8c h LYS 5 Ca 0.07 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1p8c h LYS 5 Cb 0.51 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1p8c h LYS 5 CO 0.02 0.29 -0.05 0.35 -0.57 0.00 0.00 179.45 179.49 1p8c h PHE 6 N 0.45 -0.13 -0.13 -1.35 3.57 -0.97 -2.99 116.94 115.39 1p8c h PHE 6 Ca 0.59 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 62.07 1p8c h PHE 6 Cb 1.39 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.17 1p8c h PHE 6 CO -0.00 0.38 0.02 0.28 -2.23 0.00 0.00 178.31 176.76 1p8c h VAL 7 N -0.83 1.21 -0.58 1.41 2.07 -0.11 0.31 116.25 119.73 1p8c h VAL 7 Ca -0.01 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.85 1p8c h VAL 7 Cb 0.57 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1p8c h VAL 7 CO 0.02 0.20 0.38 -0.33 0.02 0.00 0.00 177.57 177.87 1p8c h GLU 8 N -0.00 0.75 -0.17 1.57 5.08 -0.39 -0.80 114.58 120.61 1p8c h GLU 8 Ca 0.04 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1p8c h GLU 8 Cb 0.28 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1p8c h GLU 8 CO 0.00 0.50 -0.43 0.00 -1.00 0.00 0.00 179.01 178.07 1p8c h ALA 9 N 1.64 0.29 -3.00 3.43 0.00 -1.35 -2.39 119.26 117.88 1p8c h ALA 9 Ca 0.22 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1p8c h ALA 9 Cb -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1p8c h ALA 9 CO -0.05 0.42 0.00 -2.13 0.00 0.00 0.00 179.25 177.49 1p8c n ARG 10 N -4.23 0.00 -0.31 0.00 3.00 0.11 -0.57 116.66 114.66 1p8c n ARG 10 Ca -0.06 0.23 0.31 0.00 -0.00 0.00 0.00 57.85 58.32 1p8c n ARG 10 Cb 0.56 -0.91 0.67 0.00 0.00 0.00 0.00 32.46 32.78 1p8c n ARG 10 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 1p8c h ARG 11 N 0.00 0.12 0.38 -0.14 0.11 -1.43 0.24 114.38 113.66 1p8c h ARG 11 Ca 0.00 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.05 1p8c h ARG 11 Cb 0.00 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.06 1p8c h ARG 11 CO 0.00 0.08 -0.18 1.49 0.10 0.00 0.00 179.97 181.46 1p8c h GLU 12 N 0.12 -0.49 -0.02 0.08 4.22 -1.21 -1.70 114.58 115.58 1p8c h GLU 12 Ca 0.56 0.03 0.01 0.00 0.08 0.00 0.00 59.36 60.04 1p8c h GLU 12 Cb 1.97 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 31.33 1p8c h GLU 12 CO -0.10 -0.32 0.09 -0.07 -2.18 0.00 0.00 179.01 176.42 1p8c h LEU 13 N -0.85 0.00 0.00 1.64 3.38 -0.43 -0.85 115.31 118.20 1p8c h LEU 13 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1p8c h LEU 13 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1p8c h LEU 13 CO 0.08 0.00 0.00 -3.20 0.09 0.00 0.00 178.44 175.41 1p8c n ASN 14 N -3.23 0.00 0.30 -0.43 5.15 0.81 -0.89 115.26 116.97 1p8c n ASN 14 Ca -0.02 0.92 0.17 0.00 -0.60 0.00 0.00 54.58 55.04 1p8c n ASN 14 Cb 0.16 -0.49 0.97 0.00 -0.53 0.00 0.00 39.78 39.89 1p8c n ASN 14 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1p8c h GLU 15 N 0.00 0.00 -0.21 1.20 5.08 -0.98 -1.12 114.58 118.55 1p8c h GLU 15 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1p8c h GLU 15 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1p8c h GLU 15 CO 0.00 0.01 -0.12 -0.22 -1.00 0.00 0.00 179.01 177.68 1p8c h LYS 16 N 0.00 0.46 0.28 2.33 3.64 -1.12 0.76 116.57 122.92 1p8c h LYS 16 Ca -0.00 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 1p8c h LYS 16 Cb 0.02 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1p8c h LYS 16 CO 0.00 0.75 -0.13 0.28 -2.27 0.00 0.00 179.45 178.08 1p8c h VAL 17 N 0.16 0.77 -0.65 2.00 2.07 0.18 -2.12 116.25 118.65 1p8c h VAL 17 Ca 0.05 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.24 1p8c h VAL 17 Cb 0.62 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1p8c h VAL 17 CO 0.03 0.08 0.43 -0.07 0.02 0.00 0.00 177.57 178.07 1p8c h LEU 18 N -0.57 0.63 0.04 2.57 3.38 -1.32 0.83 115.31 120.88 1p8c h LEU 18 Ca -0.04 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1p8c h LEU 18 Cb 0.41 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1p8c h LEU 18 CO 0.06 0.43 -0.27 -1.28 0.09 0.00 0.00 178.44 177.47 1p8c h SER 19 N 0.73 -0.81 -0.18 -0.43 0.87 0.96 -1.99 113.55 112.70 1p8c h SER 19 Ca 0.27 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 1p8c h SER 19 Cb 0.15 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1p8c h SER 19 CO -0.08 -0.27 0.00 0.54 -0.53 0.00 0.00 176.83 176.49 1p8c n ARG 20 N -3.96 1.60 -0.65 2.24 1.74 -0.83 -4.89 116.66 111.91 1p8c n ARG 20 Ca -0.04 -0.92 -0.06 0.00 -0.77 0.00 0.00 57.85 56.06 1p8c n ARG 20 Cb 0.20 -1.32 0.04 0.00 -1.02 0.00 0.00 32.46 30.36 1p8c n ARG 20 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p8c n GLY 21 N 1.02 -0.51 0.00 -0.13 0.00 0.29 -5.06 105.19 100.79 1p8c n GLY 21 Ca 0.13 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1p8c n GLY 21 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1p8c n THR 22 N -2.15 0.00 -0.01 2.61 -1.04 -1.26 -4.96 114.28 107.47 1p8c n THR 22 Ca 0.04 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.97 1p8c n THR 22 Cb 0.13 -0.77 -0.13 0.00 -1.82 0.00 0.00 70.33 67.74 1p8c n THR 22 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1p8c h LEU 23 N 0.00 0.00 -0.86 -4.42 7.12 -1.99 -2.46 115.31 112.70 1p8c h LEU 23 Ca 0.00 0.00 -0.11 0.00 0.13 0.00 0.00 57.88 57.90 1p8c h LEU 23 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.12 1p8c h LEU 23 CO 0.00 0.95 -0.36 0.78 -0.13 0.00 0.00 178.44 179.68 1p8c h ASN 24 N 0.00 0.42 0.31 1.25 2.35 -1.99 -1.97 115.58 115.96 1p8c h ASN 24 Ca -0.26 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.31 1p8c h ASN 24 Cb 1.95 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 40.20 1p8c h ASN 24 CO 0.08 0.76 -0.15 0.74 -1.65 0.00 0.00 177.43 177.20 1p8c h THR 25 N 0.35 0.00 -0.98 2.81 2.02 -1.93 -2.62 112.91 112.56 1p8c h THR 25 Ca 0.04 -0.13 0.33 0.00 0.77 0.00 0.00 66.41 67.42 1p8c h THR 25 Cb 0.80 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.04 1p8c h THR 25 CO 0.06 0.00 0.37 0.50 0.37 0.00 0.00 175.52 176.82 1p8c h LYS 26 N -0.55 0.11 -0.51 6.66 1.63 -1.45 0.29 116.57 122.75 1p8c h LYS 26 Ca -0.04 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.71 1p8c h LYS 26 Cb 0.32 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.91 1p8c h LYS 26 CO 0.07 0.07 0.15 0.00 -3.45 0.00 0.00 179.45 176.29 1p8c h ARG 27 N 0.11 0.81 -0.11 1.90 3.08 -1.38 -2.31 114.38 116.48 1p8c h ARG 27 Ca 0.71 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.58 1p8c h ARG 27 Cb 1.67 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.60 1p8c h ARG 27 CO -0.75 0.76 0.05 0.35 -1.07 0.00 0.00 179.97 179.30 1p8c h PHE 28 N 0.71 0.15 -0.27 3.04 3.57 -0.06 -1.24 116.94 122.84 1p8c h PHE 28 Ca 0.16 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.71 1p8c h PHE 28 Cb 0.29 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1p8c h PHE 28 CO 0.02 0.23 0.19 0.74 -2.23 0.00 0.00 178.31 177.25 1p8c h PHE 29 N 0.04 0.13 -0.44 0.41 -1.00 -1.27 0.50 116.94 115.32 1p8c h PHE 29 Ca 0.04 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.75 1p8c h PHE 29 Cb 0.13 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 1p8c h PHE 29 CO -0.03 0.07 -0.01 -0.91 -1.61 0.00 0.00 178.31 175.83 1p8c h ASN 30 N 0.13 0.77 0.33 2.17 2.35 -0.81 -2.81 115.58 117.72 1p8c h ASN 30 Ca 0.12 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 55.54 1p8c h ASN 30 Cb 0.31 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1p8c h ASN 30 CO -0.02 0.89 -0.16 -0.07 -1.65 0.00 0.00 177.43 176.43 1p8c h LEU 31 N 0.62 -0.38 -1.64 1.61 -0.00 0.20 0.16 115.31 115.88 1p8c h LEU 31 Ca 0.12 0.01 0.15 0.00 -0.00 0.00 0.00 57.88 58.17 1p8c h LEU 31 Cb 0.51 0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 41.22 1p8c h LEU 31 CO 0.02 -0.27 0.50 -0.78 -0.00 0.00 0.00 178.44 177.92 1p8c h ASP 32 N -0.46 0.33 0.88 -0.43 3.58 -1.16 -0.90 116.42 118.27 1p8c h ASP 32 Ca -0.05 0.02 -0.19 0.00 0.42 0.00 0.00 57.03 57.23 1p8c h ASP 32 Cb 0.35 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 1p8c h ASP 32 CO 0.08 0.17 -1.20 -1.28 -2.88 0.00 0.00 179.24 174.12 1p8c h SER 33 N 0.35 0.00 0.02 2.28 0.87 -1.22 -3.39 113.55 112.46 1p8c h SER 33 Ca 0.36 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.92 1p8c h SER 33 Cb 0.91 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1p8c h SER 33 CO -0.10 0.76 -0.01 0.00 -0.53 0.00 0.00 176.83 176.94 1p8c h ALA 34 N 1.24 -0.03 0.00 6.23 0.00 0.65 -3.30 119.26 124.05 1p8c h ALA 34 Ca -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1p8c h ALA 34 Cb 1.69 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1p8c h ALA 34 CO 0.08 -0.14 0.32 1.55 0.00 0.00 0.00 179.25 181.06 1p8c n VAL 35 N -4.75 0.71 0.55 0.00 3.14 -0.69 0.11 118.33 117.41 1p8c n VAL 35 Ca -0.09 0.65 0.12 0.00 -2.96 0.00 0.00 64.34 62.06 1p8c n VAL 35 Cb 0.35 -1.65 0.22 0.00 -1.06 0.00 0.00 33.84 31.70 1p8c n VAL 35 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 1p8c n TYR 36 N -1.71 0.37 -2.29 1.45 4.01 -1.24 -4.96 117.16 112.79 1p8c n TYR 36 Ca -0.00 -0.19 -0.36 0.00 -0.16 0.00 0.00 57.90 57.19 1p8c n TYR 36 Cb 0.33 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.35 1p8c n TYR 36 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1p8c s ARG 37 N -1.63 3.59 0.49 -0.72 1.81 0.31 -4.65 118.95 118.15 1p8c s ARG 37 Ca 0.36 1.66 -0.22 0.00 -1.72 0.00 0.00 55.73 55.82 1p8c s ARG 37 Cb 0.22 -2.21 -0.09 0.00 -0.45 0.00 0.00 34.95 32.42 1p8c s ARG 37 CO 0.31 -0.67 0.86 -2.30 -0.68 0.00 0.00 175.30 172.82 1p8c n PRO 38 N -0.87 1.01 0.00 3.54 -0.02 -1.26 -4.83 135.00 132.56 1p8c n PRO 38 Ca 0.09 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1p8c n PRO 38 Cb 0.50 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1p8c n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p8c n GLY 39 N 1.38 2.72 0.08 -1.23 0.00 -1.26 -4.95 105.19 101.93 1p8c n GLY 39 Ca 0.11 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.86 1p8c n GLY 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1p8c n LYS 40 N 0.00 0.06 -5.03 1.61 4.76 -1.26 -4.19 118.16 114.11 1p8c n LYS 40 Ca 0.00 0.54 -0.28 0.00 -2.87 0.00 0.00 58.31 55.70 1p8c n LYS 40 Cb 0.00 -1.76 -0.16 0.00 -1.84 0.00 0.00 35.03 31.27 1p8c n LYS 40 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1p8c s LEU 41 N -3.66 1.99 0.71 -0.35 1.43 -1.26 -5.14 118.68 112.39 1p8c s LEU 41 Ca -0.01 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.56 1p8c s LEU 41 Cb 0.03 -1.14 0.01 0.00 0.03 0.00 0.00 46.19 45.12 1p8c s LEU 41 CO 0.09 0.21 1.06 1.51 0.23 0.00 0.00 176.35 179.45 1p8c s ASP 42 N -0.13 5.30 0.46 2.29 1.47 -1.26 -4.64 116.67 120.16 1p8c s ASP 42 Ca -0.02 1.54 0.21 0.00 1.18 0.00 0.00 52.55 55.46 1p8c s ASP 42 Cb -0.12 -2.40 1.20 0.00 -0.34 0.00 0.00 42.92 41.26 1p8c s ASP 42 CO 0.02 -1.49 1.91 1.62 0.68 0.00 0.00 175.17 177.92 1p8c h VAL 43 N -0.75 0.71 0.39 2.11 3.04 -1.88 0.16 116.25 120.05 1p8c h VAL 43 Ca -0.44 -0.09 -0.02 0.00 -1.01 0.00 0.00 66.70 65.14 1p8c h VAL 43 Cb 1.22 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 1p8c h VAL 43 CO 0.58 0.05 -0.19 0.50 -1.01 0.00 0.00 177.57 177.50 1p8c h LYS 44 N 0.27 -0.51 -0.69 4.17 3.64 -1.92 0.14 116.57 121.66 1p8c h LYS 44 Ca 0.38 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.94 1p8c h LYS 44 Cb 1.10 0.12 -0.11 0.00 -0.41 0.00 0.00 32.23 32.93 1p8c h LYS 44 CO -0.09 -0.21 0.13 1.15 -2.27 0.00 0.00 179.45 178.15 1p8c h THR 45 N -1.00 0.52 -0.07 1.00 2.02 -1.78 0.75 112.91 114.34 1p8c h THR 45 Ca -0.05 -0.08 0.04 0.00 0.77 0.00 0.00 66.41 67.09 1p8c h THR 45 Cb 0.53 0.27 -0.06 0.00 -1.74 0.00 0.00 68.15 67.16 1p8c h THR 45 CO 0.09 0.04 -0.29 0.11 0.37 0.00 0.00 175.52 175.84 1p8c h LYS 46 N 0.23 -0.38 0.00 6.66 6.56 -0.61 -1.59 116.57 127.45 1p8c h LYS 46 Ca 0.38 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 60.00 1p8c h LYS 46 Cb 0.64 0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.38 1p8c h LYS 46 CO -0.50 -0.25 0.00 1.49 -2.06 0.00 0.00 179.45 178.12 1p8c h GLU 47 N -0.39 0.00 0.00 3.15 4.57 0.58 -2.09 114.58 120.40 1p8c h GLU 47 Ca 0.08 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.23 1p8c h GLU 47 Cb 0.52 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1p8c h GLU 47 CO -0.30 0.00 -0.63 -0.07 -1.18 0.00 0.00 179.01 176.83 1p8c h LEU 48 N 0.00 0.00 0.02 1.64 3.38 -0.17 -2.35 115.31 117.82 1p8c h LEU 48 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1p8c h LEU 48 Cb 0.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1p8c h LEU 48 CO 0.00 0.14 -1.05 0.24 0.09 0.00 0.00 178.44 177.86 1p8c h MET 49 N 0.00 0.06 -0.42 1.13 2.86 -0.64 -1.84 114.93 116.08 1p8c h MET 49 Ca -0.02 -0.11 -0.14 0.00 -2.06 0.00 0.00 59.70 57.37 1p8c h MET 49 Cb 1.12 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 1p8c h MET 49 CO 0.01 1.04 -0.29 0.78 1.06 0.00 0.00 176.91 179.52 1p8c h GLY 50 N 2.66 1.00 0.99 8.32 0.00 -1.44 0.14 103.07 114.74 1p8c h GLY 50 Ca -0.04 -0.94 -0.00 0.00 0.00 0.00 0.00 47.33 46.35 1p8c h GLY 50 CO 0.15 0.85 0.32 -2.00 0.00 0.00 0.00 176.54 175.86 1p8c h LEU 51 N 0.78 0.66 -0.47 3.11 5.85 -1.34 0.27 115.31 124.16 1p8c h LEU 51 Ca 0.09 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1p8c h LEU 51 Cb 0.86 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1p8c h LEU 51 CO 0.08 0.53 0.06 0.58 -0.34 0.00 0.00 178.44 179.35 1p8c h VAL 52 N 0.73 1.25 -0.35 1.05 2.07 -1.00 -1.76 116.25 118.25 1p8c h VAL 52 Ca 0.20 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1p8c h VAL 52 Cb -0.00 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1p8c h VAL 52 CO -0.04 0.33 0.21 0.00 0.02 0.00 0.00 177.57 178.10 1p8c h ALA 53 N 0.95 0.45 -0.17 1.67 0.00 -0.26 -2.59 119.26 119.31 1p8c h ALA 53 Ca 0.14 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1p8c h ALA 53 Cb 0.41 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1p8c h ALA 53 CO 0.01 -0.05 -0.10 0.77 0.00 0.00 0.00 179.25 179.88 1p8c h SER 54 N 0.46 0.25 0.13 0.00 0.02 -0.39 -2.75 113.55 111.27 1p8c h SER 54 Ca 0.13 -0.05 -0.28 0.00 -0.84 0.00 0.00 61.79 60.75 1p8c h SER 54 Cb 0.01 -0.07 0.03 0.00 0.14 0.00 0.00 62.40 62.51 1p8c h SER 54 CO -0.02 0.39 -1.17 0.74 -1.14 0.00 0.00 176.83 175.62 1p8c h THR 55 N 0.26 1.32 0.00 -2.27 2.02 -1.18 -0.94 112.91 112.12 1p8c h THR 55 Ca 0.05 -2.47 0.00 0.00 0.77 0.00 0.00 66.41 64.77 1p8c h THR 55 Cb 0.35 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 1p8c h THR 55 CO 0.02 0.74 0.00 -0.37 0.37 0.00 0.00 175.52 176.28 1p8c h VAL 56 N 0.14 0.00 -0.03 3.16 -1.51 -1.42 -1.77 116.25 114.83 1p8c h VAL 56 Ca -0.18 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 1p8c h VAL 56 Cb 1.87 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 32.48 1p8c h VAL 56 CO 0.22 0.00 -0.03 0.18 -1.23 0.00 0.00 177.57 176.71 1p8c n LEU 57 N -2.54 2.81 -3.61 4.19 4.77 -1.04 -4.86 117.00 116.72 1p8c n LEU 57 Ca 0.04 -0.98 -0.28 0.00 -0.03 0.00 0.00 56.01 54.75 1p8c n LEU 57 Cb 0.38 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.51 1p8c n LEU 57 CO 0.28 0.48 -0.06 0.54 -1.33 0.00 0.00 177.39 177.30 1p8c n ARG 58 N 1.18 -1.66 -3.78 3.23 1.74 -0.67 -4.97 116.66 111.73 1p8c n ARG 58 Ca 0.13 0.54 -0.35 0.00 -0.77 0.00 0.00 57.85 57.40 1p8c n ARG 58 Cb 0.56 -4.51 -0.11 0.00 -1.02 0.00 0.00 32.46 27.37 1p8c n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1p8c h ASP 60 N 7.38 -1.10 -0.77 0.00 3.32 -1.93 0.87 116.42 124.18 1p8c h ASP 60 Ca -0.06 0.18 0.13 0.00 0.02 0.00 0.00 57.03 57.30 1p8c h ASP 60 Cb 0.98 0.49 -0.09 0.00 0.22 0.00 0.00 39.33 40.94 1p8c h ASP 60 CO 0.70 -0.34 0.34 0.44 -1.72 0.00 0.00 179.24 178.66 1p8c h ASP 61 N -0.32 0.38 -0.26 6.45 3.45 -1.97 0.45 116.42 124.59 1p8c h ASP 61 Ca 0.14 0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.68 1p8c h ASP 61 Cb 0.55 0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.36 1p8c h ASP 61 CO -0.47 0.16 0.10 0.00 -1.57 0.00 0.00 179.24 177.46 1p8c h ILE 63 N 0.27 0.33 -0.96 0.00 2.04 0.42 -0.12 117.51 119.48 1p8c h ILE 63 Ca 0.09 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.10 1p8c h ILE 63 Cb 0.19 0.33 -0.10 0.00 -0.74 0.00 0.00 36.82 36.51 1p8c h ILE 63 CO -0.01 0.00 0.57 0.03 0.00 0.00 0.00 178.15 178.74 1p8c h ARG 64 N -0.39 0.77 -0.13 2.37 3.08 -0.83 0.22 114.38 119.46 1p8c h ARG 64 Ca 0.09 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1p8c h ARG 64 Cb 0.52 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1p8c h ARG 64 CO -0.31 0.51 -0.01 -0.92 -1.07 0.00 0.00 179.97 178.17 1p8c h TYR 65 N 0.80 0.26 0.00 3.04 3.20 -0.41 -2.16 116.97 121.69 1p8c h TYR 65 Ca 0.52 -0.05 -0.10 0.00 3.14 0.00 0.00 58.73 62.24 1p8c h TYR 65 Cb 0.70 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1p8c h TYR 65 CO -0.03 0.48 -0.48 0.45 -1.64 0.00 0.00 178.16 176.95 1p8c h HIS 66 N -0.05 0.00 -0.28 -3.82 3.86 -0.37 -2.35 115.15 112.15 1p8c h HIS 66 Ca 0.04 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.17 1p8c h HIS 66 Cb 0.39 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 1p8c h HIS 66 CO 0.04 0.48 -0.12 1.25 0.86 0.00 0.00 177.93 180.43 1p8c h LEU 67 N 0.00 0.59 -1.08 2.43 6.46 -0.54 -0.17 115.31 123.00 1p8c h LEU 67 Ca -0.00 -0.40 -0.09 0.00 -0.12 0.00 0.00 57.88 57.26 1p8c h LEU 67 Cb 0.90 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.66 1p8c h LEU 67 CO 0.06 0.86 -0.29 -0.37 -0.62 0.00 0.00 178.44 178.08 1p8c h VAL 68 N 0.31 1.26 -0.21 1.05 -1.51 -1.32 -2.58 116.25 113.25 1p8c h VAL 68 Ca 0.06 -1.25 -0.13 0.00 -1.23 0.00 0.00 66.70 64.15 1p8c h VAL 68 Cb 0.63 1.47 -0.01 0.00 -2.13 0.00 0.00 31.29 31.25 1p8c h VAL 68 CO 0.04 0.38 -0.43 0.03 -1.23 0.00 0.00 177.57 176.36 1p8c h ARG 69 N 0.26 0.52 -0.36 5.19 3.08 -1.15 -2.41 114.38 119.51 1p8c h ARG 69 Ca 0.04 -0.27 -0.15 0.00 0.07 0.00 0.00 59.98 59.66 1p8c h ARG 69 Cb 0.65 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1p8c h ARG 69 CO 0.05 0.85 -0.39 0.00 -1.07 0.00 0.00 179.97 179.41 1p8c h VAL 71 N 0.71 0.48 0.00 0.00 2.07 -1.42 0.81 116.25 118.90 1p8c h VAL 71 Ca 0.06 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1p8c h VAL 71 Cb 0.97 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1p8c h VAL 71 CO 0.09 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.72 1p8c n GLN 72 N -5.33 0.13 -0.07 1.57 10.64 -0.91 -0.51 117.38 122.89 1p8c n GLN 72 Ca -0.12 0.57 0.12 0.00 -1.83 0.00 0.00 57.00 55.74 1p8c n GLN 72 Cb 0.30 -1.87 0.33 0.00 -0.86 0.00 0.00 30.24 28.14 1p8c n GLN 72 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1p8c n GLU 73 N -2.14 1.98 -0.33 2.61 4.07 -0.58 -4.93 120.64 121.32 1p8c n GLU 73 Ca -0.00 -1.45 0.00 0.00 -0.06 0.00 0.00 57.16 55.64 1p8c n GLU 73 Cb 0.07 -1.45 0.00 0.00 -0.06 0.00 0.00 31.44 30.00 1p8c n GLU 73 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1p8c n GLY 74 N 1.26 0.77 3.78 8.31 0.00 0.33 -4.79 105.19 114.86 1p8c n GLY 74 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1p8c n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p8c s ALA 75 N -2.26 3.00 0.11 4.61 0.00 0.22 -5.01 121.76 122.43 1p8c s ALA 75 Ca 0.00 0.71 0.02 0.00 0.00 0.00 0.00 51.96 52.69 1p8c s ALA 75 Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 1p8c s ALA 75 CO 0.00 -0.32 0.23 -1.54 0.00 0.00 0.00 175.76 174.13 1p8c s SER 76 N -1.66 6.22 0.48 0.00 1.04 -1.26 -4.52 113.70 114.00 1p8c s SER 76 Ca 0.62 0.17 0.31 0.00 0.48 0.00 0.00 55.95 57.53 1p8c s SER 76 Cb -0.21 -1.86 1.41 0.00 0.10 0.00 0.00 66.02 65.46 1p8c s SER 76 CO 0.26 0.11 1.75 0.44 0.98 0.00 0.00 173.24 176.78 1p8c h ASP 77 N 2.62 0.18 -0.32 7.02 3.45 -1.98 0.58 116.42 127.97 1p8c h ASP 77 Ca -0.47 0.05 -0.00 0.00 0.43 0.00 0.00 57.03 57.04 1p8c h ASP 77 Cb 1.18 0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.96 1p8c h ASP 77 CO 0.71 -0.00 0.19 -0.33 -1.57 0.00 0.00 179.24 178.24 1p8c h GLU 78 N 0.14 0.43 0.03 3.56 4.39 -1.99 -0.02 114.58 121.11 1p8c h GLU 78 Ca 0.65 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 60.19 1p8c h GLU 78 Cb 2.21 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 30.78 1p8c h GLU 78 CO -0.16 0.32 -0.47 0.93 -1.16 0.00 0.00 179.01 178.47 1p8c h GLU 79 N 0.41 0.27 -0.42 2.33 5.08 -0.38 -2.89 114.58 118.98 1p8c h GLU 79 Ca 0.11 -0.33 0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1p8c h GLU 79 Cb 0.00 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 1p8c h GLU 79 CO -0.02 1.05 -0.03 0.82 -1.00 0.00 0.00 179.01 179.83 1p8c h ILE 80 N -0.37 0.65 0.00 3.13 2.04 -0.67 -1.61 117.51 120.69 1p8c h ILE 80 Ca -0.07 -0.03 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 1p8c h ILE 80 Cb 1.24 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1p8c h ILE 80 CO 0.09 0.01 -0.27 -0.26 0.00 0.00 0.00 178.15 177.72 1p8c h PHE 81 N 0.08 0.00 0.00 1.37 -1.00 -1.06 -1.18 116.94 115.15 1p8c h PHE 81 Ca 0.21 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.91 1p8c h PHE 81 Cb 0.31 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 1p8c h PHE 81 CO -0.30 0.27 -0.36 0.93 -1.61 0.00 0.00 178.31 177.24 1p8c h GLU 82 N 0.00 0.00 0.12 1.51 5.08 -1.08 -1.66 114.58 118.55 1p8c h GLU 82 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1p8c h GLU 82 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1p8c h GLU 82 CO 0.04 0.36 -0.06 0.00 -1.00 0.00 0.00 179.01 178.35 1p8c h ALA 83 N 1.64 -0.16 -0.72 3.43 0.00 -0.64 -3.20 119.26 119.61 1p8c h ALA 83 Ca -0.00 -0.24 0.15 0.00 0.00 0.00 0.00 54.91 54.82 1p8c h ALA 83 Cb 0.65 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1p8c h ALA 83 CO 0.05 -0.32 0.49 -0.07 0.00 0.00 0.00 179.25 179.39 1p8c h LEU 84 N -0.70 0.33 -0.98 0.00 3.38 -1.19 -0.62 115.31 115.54 1p8c h LEU 84 Ca -0.02 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1p8c h LEU 84 Cb 0.52 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1p8c h LEU 84 CO 0.03 0.17 0.26 0.44 0.09 0.00 0.00 178.44 179.43 1p8c h ASP 85 N 0.35 0.92 -0.32 -0.43 5.19 -1.30 0.14 116.42 120.97 1p8c h ASP 85 Ca 0.35 -0.13 -0.12 0.00 -0.62 0.00 0.00 57.03 56.51 1p8c h ASP 85 Cb 0.87 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 1p8c h ASP 85 CO -0.10 0.83 -0.25 0.40 -3.12 0.00 0.00 179.24 177.00 1p8c h ILE 86 N 0.98 1.29 -0.77 0.35 2.04 -1.14 -2.13 117.51 118.13 1p8c h ILE 86 Ca 0.23 -1.40 0.03 0.00 1.00 0.00 0.00 64.86 64.72 1p8c h ILE 86 Cb 0.20 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 1p8c h ILE 86 CO -0.02 0.45 0.51 0.00 0.00 0.00 0.00 178.15 179.10 1p8c h ALA 87 N 0.74 1.54 -0.19 1.87 0.00 -0.88 -1.13 119.26 121.21 1p8c h ALA 87 Ca 0.06 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1p8c h ALA 87 Cb 0.81 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1p8c h ALA 87 CO 0.07 0.38 -0.14 1.25 0.00 0.00 0.00 179.25 180.81 1p8c h LEU 88 N 0.95 0.45 -0.53 0.00 6.46 -0.50 0.32 115.31 122.45 1p8c h LEU 88 Ca 0.31 -0.45 -0.16 0.00 -0.12 0.00 0.00 57.88 57.46 1p8c h LEU 88 Cb 0.05 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 1p8c h LEU 88 CO -0.09 0.81 -0.54 0.58 -0.62 0.00 0.00 178.44 178.58 1p8c h VAL 89 N 0.11 1.32 0.07 1.05 2.07 -1.09 0.05 116.25 119.83 1p8c h VAL 89 Ca 0.04 -1.78 -0.12 0.00 0.82 0.00 0.00 66.70 65.65 1p8c h VAL 89 Cb 0.66 1.76 0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1p8c h VAL 89 CO 0.04 0.55 -0.52 0.58 0.02 0.00 0.00 177.57 178.24 1p8c h VAL 90 N 0.42 1.57 -0.25 2.57 2.07 -1.26 -3.36 116.25 118.03 1p8c h VAL 90 Ca 0.01 -2.36 -0.19 0.00 0.82 0.00 0.00 66.70 64.98 1p8c h VAL 90 Cb 1.07 3.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.96 1p8c h VAL 90 CO 0.10 0.65 -0.61 1.23 0.02 0.00 0.00 177.57 178.96 1p8c h GLY 91 N -0.50 0.91 0.00 2.17 0.00 -1.00 -3.50 103.07 101.14 1p8c h GLY 91 Ca -0.09 -1.12 0.00 0.00 0.00 0.00 0.00 47.33 46.13 1p8c h GLY 91 CO 0.10 1.00 0.00 0.61 0.00 0.00 0.00 176.54 178.25 1p8c n GLY 92 N 0.45 1.20 0.49 4.60 0.00 0.00 -4.67 105.19 107.27 1p8c n GLY 92 Ca -0.05 -2.10 0.32 0.00 0.00 0.00 0.00 46.02 44.19 1p8c n GLY 92 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1p8c h SER 93 N 0.00 0.16 0.07 1.61 0.02 -1.94 -0.60 113.55 112.87 1p8c h SER 93 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1p8c h SER 93 Cb 0.00 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1p8c h SER 93 CO 0.00 0.01 0.00 0.16 -1.14 0.00 0.00 176.83 175.86 1p8c h ILE 94 N 0.13 0.00 0.00 3.27 3.07 -1.94 -1.57 117.51 120.47 1p8c h ILE 94 Ca 0.60 -0.04 0.00 0.00 1.55 0.00 0.00 64.86 66.98 1p8c h ILE 94 Cb 2.09 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 39.58 1p8c h ILE 94 CO -0.13 0.00 -0.13 1.62 -1.05 0.00 0.00 178.15 178.46 1p8c h VAL 95 N 0.00 0.00 -0.71 0.16 3.04 -1.38 -3.37 116.25 113.98 1p8c h VAL 95 Ca 0.00 -0.73 0.16 0.00 -1.01 0.00 0.00 66.70 65.12 1p8c h VAL 95 Cb 0.04 1.65 -0.12 0.00 -2.01 0.00 0.00 31.29 30.85 1p8c h VAL 95 CO 0.00 0.00 0.06 0.40 -1.01 0.00 0.00 177.57 177.02 1p8c h ILE 96 N 0.00 0.43 -0.15 3.17 2.04 -1.44 0.32 117.51 121.88 1p8c h ILE 96 Ca 0.00 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.85 1p8c h ILE 96 Cb 0.86 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1p8c h ILE 96 CO 0.00 0.03 0.13 -0.65 0.00 0.00 0.00 178.15 177.66 1p8c h PRO 97 N 0.15 0.00 0.00 2.37 0.11 -1.80 0.44 132.00 133.27 1p8c h PRO 97 Ca 0.39 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.45 1p8c h PRO 97 Cb 0.67 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 1p8c h PRO 97 CO -0.58 0.00 -0.51 0.45 -0.21 0.00 0.00 178.00 177.15 1p8c h HIS 98 N 0.00 0.00 -0.07 0.65 3.86 -0.69 -3.15 115.15 115.74 1p8c h HIS 98 Ca 0.07 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.04 1p8c h HIS 98 Cb 0.34 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.82 1p8c h HIS 98 CO 0.00 0.20 -0.87 1.25 0.86 0.00 0.00 177.93 179.36 1p8c h LEU 99 N 0.00 0.89 0.10 2.43 5.85 0.11 -2.63 115.31 122.07 1p8c h LEU 99 Ca -0.02 -0.69 0.02 0.00 0.84 0.00 0.00 57.88 58.03 1p8c h LEU 99 Cb 1.17 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1p8c h LEU 99 CO 0.02 1.45 -0.24 0.03 -0.34 0.00 0.00 178.44 179.36 1p8c h ARG 100 N 0.41 -0.42 -0.66 1.25 3.08 -0.97 -2.08 114.38 114.99 1p8c h ARG 100 Ca -0.09 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1p8c h ARG 100 Cb 1.52 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.63 1p8c h ARG 100 CO 0.18 -0.28 0.34 0.00 -1.07 0.00 0.00 179.97 179.14 1p8c h ARG 101 N -0.43 0.93 -0.09 0.04 3.08 -1.60 -2.02 114.38 114.29 1p8c h ARG 101 Ca 0.03 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1p8c h ARG 101 Cb 0.46 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1p8c h ARG 101 CO -0.15 0.70 0.05 0.00 -1.07 0.00 0.00 179.97 179.51 1p8c h ALA 102 N 1.44 0.11 0.52 0.04 0.00 -1.19 -1.30 119.26 118.89 1p8c h ALA 102 Ca 0.23 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1p8c h ALA 102 Cb 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1p8c h ALA 102 CO -0.03 -0.37 -0.40 0.28 0.00 0.00 0.00 179.25 178.72 1p8c h VAL 103 N 0.09 0.19 -0.98 0.00 2.07 -1.02 0.55 116.25 117.14 1p8c h VAL 103 Ca 0.03 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.80 1p8c h VAL 103 Cb 0.03 0.19 -0.07 0.00 -1.52 0.00 0.00 31.29 29.92 1p8c h VAL 103 CO -0.01 0.00 0.65 1.23 0.02 0.00 0.00 177.57 179.47 1p8c h GLY 104 N -0.90 0.85 1.74 2.17 0.00 -1.32 0.20 103.07 105.80 1p8c h GLY 104 Ca -0.06 -0.16 -0.24 0.00 0.00 0.00 0.00 47.33 46.87 1p8c h GLY 104 CO 0.01 -0.05 -1.18 -2.75 0.00 0.00 0.00 176.54 172.56 1p8c h PHE 105 N 0.33 0.19 -0.14 5.60 3.57 -0.57 -3.07 116.94 122.85 1p8c h PHE 105 Ca 0.52 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.87 1p8c h PHE 105 Cb 1.45 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.18 1p8c h PHE 105 CO -0.00 1.12 0.03 1.25 -2.23 0.00 0.00 178.31 178.47 1p8c h LEU 106 N 0.03 0.22 -0.59 0.59 5.85 0.32 -2.68 115.31 119.03 1p8c h LEU 106 Ca -0.09 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.27 1p8c h LEU 106 Cb 1.87 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.83 1p8c h LEU 106 CO 0.15 0.41 -0.08 1.05 -0.34 0.00 0.00 178.44 179.63 1p8c h GLU 107 N 0.02 1.04 -0.09 1.25 4.11 -1.39 -0.99 114.58 118.52 1p8c h GLU 107 Ca 0.04 -0.36 0.03 0.00 0.07 0.00 0.00 59.36 59.14 1p8c h GLU 107 Cb 0.28 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1p8c h GLU 107 CO 0.00 1.06 0.22 1.49 0.07 0.00 0.00 179.01 181.85 1p8c h GLU 108 N 0.93 0.00 0.04 1.06 4.81 -1.44 0.23 114.58 120.21 1p8c h GLU 108 Ca 0.15 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.12 1p8c h GLU 108 Cb 0.64 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 1p8c h GLU 108 CO 0.04 0.00 -1.42 -0.07 -0.73 0.00 0.00 179.01 176.84 1p8c h LEU 109 N 0.00 0.13 0.00 1.64 3.38 -0.94 -3.15 115.31 116.37 1p8c h LEU 109 Ca 0.04 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1p8c h LEU 109 Cb 0.49 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1p8c h LEU 109 CO -0.00 1.58 0.00 0.54 0.09 0.00 0.00 178.44 180.65 1p8c n ARG 110 N -4.18 0.49 -0.00 1.13 5.12 -0.48 -0.07 116.66 118.68 1p8c n ARG 110 Ca -0.31 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 55.68 1p8c n ARG 110 Cb 0.78 -1.49 -0.08 0.00 -1.16 0.00 0.00 32.46 30.51 1p8c n ARG 110 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1p8c n GLU 111 N -0.99 2.16 -0.08 5.56 4.07 0.74 -4.30 120.64 127.80 1p8c n GLU 111 Ca 0.11 -0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 57.00 1p8c n GLU 111 Cb 0.05 -1.19 -0.12 0.00 -0.06 0.00 0.00 31.44 30.12 1p8c n GLU 111 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 1p8c n MET 112 N -1.35 0.67 0.00 5.31 2.81 0.91 -3.81 117.12 121.66 1p8c n MET 112 Ca 0.03 0.25 0.06 0.00 -1.81 0.00 0.00 57.70 56.23 1p8c n MET 112 Cb 0.23 -1.61 0.35 0.00 -0.71 0.00 0.00 33.22 31.48 1p8c n MET 112 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1p8c n GLU 113 N -3.61 0.38 -0.01 0.03 0.28 -0.91 -0.12 120.64 116.68 1p8c n GLU 113 Ca -0.41 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 56.72 1p8c n GLU 113 Cb 0.96 -1.49 0.71 0.00 1.43 0.00 0.00 31.44 33.05 1p8c n GLU 113 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1p8c n LYS 114 N -0.99 1.10 0.00 3.44 3.00 -1.25 -3.38 118.16 120.08 1p8c n LYS 114 Ca 0.09 -0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1p8c n LYS 114 Cb 0.04 -1.40 0.00 0.00 0.00 0.00 0.00 35.03 33.67 1p8c n LYS 114 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1p8c n ASN 115 N -0.73 0.00 0.00 3.14 3.02 0.83 -5.10 115.26 116.42 1p8c n ASN 115 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 1p8c n ASN 115 Cb 0.12 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 1p8c n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25