#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 0.41 0.00 -0.32 3.20 -1.99 0.03 116.97 118.30 1p8c h TYR 3 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1p8c h TYR 3 Cb 0.00 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.17 1p8c h TYR 3 CO 0.00 0.14 0.00 0.87 -1.64 0.00 0.00 178.16 177.53 1p8c h LYS 4 N 0.43 0.00 -0.19 1.82 1.57 -2.02 -1.46 116.57 116.72 1p8c h LYS 4 Ca 0.28 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.93 1p8c h LYS 4 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1p8c h LYS 4 CO -0.26 0.00 -0.40 0.87 -0.57 0.00 0.00 179.45 179.08 1p8c h LYS 5 N 0.00 0.61 0.00 3.15 1.79 -1.46 -3.22 116.57 117.44 1p8c h LYS 5 Ca 0.00 -0.40 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 1p8c h LYS 5 Cb 0.39 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1p8c h LYS 5 CO 0.00 1.02 0.00 0.34 -1.08 0.00 0.00 179.45 179.73 1p8c n PHE 6 N -4.24 0.00 -0.44 -1.35 7.35 -0.59 -2.87 117.46 115.31 1p8c n PHE 6 Ca -0.06 0.00 0.35 0.00 -0.76 0.00 0.00 57.45 56.98 1p8c n PHE 6 Cb 0.54 0.00 0.57 0.00 0.35 0.00 0.00 39.48 40.94 1p8c n PHE 6 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1p8c n VAL 7 N -0.29 -0.11 -0.00 -2.13 0.31 -0.95 -0.25 118.33 114.90 1p8c n VAL 7 Ca 0.00 1.28 -0.17 0.00 -0.01 0.00 0.00 64.34 65.44 1p8c n VAL 7 Cb 0.00 -2.11 -0.11 0.00 -0.91 0.00 0.00 33.84 30.70 1p8c n VAL 7 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1p8c h GLU 8 N 0.00 0.34 -0.14 5.55 4.11 -1.66 -3.01 114.58 119.77 1p8c h GLU 8 Ca 0.70 -0.38 -0.10 0.00 0.07 0.00 0.00 59.36 59.65 1p8c h GLU 8 Cb 2.50 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 31.85 1p8c h GLU 8 CO -0.21 1.07 -0.34 0.00 0.07 0.00 0.00 179.01 179.60 1p8c h ALA 9 N 0.29 1.17 0.62 1.06 0.00 -0.48 -1.10 119.26 120.81 1p8c h ALA 9 Ca -0.07 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1p8c h ALA 9 Cb 1.26 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1p8c h ALA 9 CO 0.10 0.55 -0.30 -0.09 0.00 0.00 0.00 179.25 179.51 1p8c h ARG 10 N 0.25 -0.80 -0.98 0.00 2.43 -1.51 -0.74 114.38 113.02 1p8c h ARG 10 Ca 0.03 0.05 0.18 0.00 -0.81 0.00 0.00 59.98 59.44 1p8c h ARG 10 Cb 0.72 0.18 -0.11 0.00 -0.42 0.00 0.00 29.97 30.35 1p8c h ARG 10 CO 0.05 -0.49 0.58 0.07 -1.51 0.00 0.00 179.97 178.68 1p8c h ARG 11 N -1.10 0.73 0.00 0.20 0.11 -1.49 0.17 114.38 112.99 1p8c h ARG 11 Ca -0.09 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.95 1p8c h ARG 11 Cb 0.68 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.60 1p8c h ARG 11 CO 0.14 0.48 0.00 0.39 0.10 0.00 0.00 179.97 181.08 1p8c n GLU 12 N -4.78 0.00 -0.29 0.08 -0.58 -0.42 -2.29 120.64 112.35 1p8c n GLU 12 Ca 0.22 0.04 0.14 0.00 -0.42 0.00 0.00 57.16 57.14 1p8c n GLU 12 Cb 0.55 -0.99 0.39 0.00 -0.57 0.00 0.00 31.44 30.81 1p8c n GLU 12 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1p8c h LEU 13 N 0.00 0.65 -0.58 -4.62 3.38 -1.05 -0.36 115.31 112.73 1p8c h LEU 13 Ca 0.00 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1p8c h LEU 13 Cb 0.00 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1p8c h LEU 13 CO 0.00 0.29 0.36 0.78 0.09 0.00 0.00 178.44 179.96 1p8c h ASN 14 N 0.66 0.59 0.11 -0.43 4.21 -0.75 0.64 115.58 120.61 1p8c h ASN 14 Ca 0.49 -0.00 -0.00 0.00 1.21 0.00 0.00 56.30 58.00 1p8c h ASN 14 Cb 0.87 -0.13 -0.00 0.00 -1.12 0.00 0.00 38.32 37.93 1p8c h ASN 14 CO -0.25 0.42 -0.08 -0.08 -1.29 0.00 0.00 177.43 176.15 1p8c h GLU 15 N 0.71 -0.19 0.18 0.81 4.81 -0.67 -1.39 114.58 118.85 1p8c h GLU 15 Ca 0.23 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1p8c h GLU 15 Cb -0.01 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1p8c h GLU 15 CO -0.09 -0.12 -0.38 0.87 -0.73 0.00 0.00 179.01 178.56 1p8c h LYS 16 N -0.19 -0.63 -0.69 1.92 1.57 -0.65 0.18 116.57 118.08 1p8c h LYS 16 Ca -0.01 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 1p8c h LYS 16 Cb 0.17 0.14 -0.11 0.00 0.08 0.00 0.00 32.23 32.51 1p8c h LYS 16 CO -0.00 -0.42 -0.47 0.28 -0.57 0.00 0.00 179.45 178.27 1p8c h VAL 17 N -0.65 0.05 -0.42 0.50 2.07 0.53 -0.88 116.25 117.45 1p8c h VAL 17 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1p8c h VAL 17 Cb 0.65 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1p8c h VAL 17 CO -0.18 0.00 0.22 -0.07 0.02 0.00 0.00 177.57 177.56 1p8c h LEU 18 N -0.18 0.53 0.00 2.57 3.38 -1.00 0.58 115.31 121.18 1p8c h LEU 18 Ca 0.19 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1p8c h LEU 18 Cb 0.55 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1p8c h LEU 18 CO -0.76 0.47 0.00 -0.24 0.09 0.00 0.00 178.44 178.00 1p8c n SER 19 N -4.71 0.00 -0.21 -0.43 2.88 0.03 0.56 113.62 111.75 1p8c n SER 19 Ca 0.01 0.72 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 1p8c n SER 19 Cb 0.09 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 1p8c n SER 19 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1p8c n ARG 20 N -1.82 0.85 0.00 -1.46 1.74 -0.85 -4.77 116.66 110.35 1p8c n ARG 20 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1p8c n ARG 20 Cb 0.00 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 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 0.24 0.08 3.27 -0.13 0.00 0.19 -5.05 105.19 103.79 1p8c n GLY 21 Ca 0.00 -1.43 -0.15 0.00 0.00 0.00 0.00 46.02 44.43 1p8c n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p8c s THR 22 N 0.00 0.21 0.27 2.61 2.01 -1.26 -4.99 115.64 114.49 1p8c s THR 22 Ca 0.00 -2.00 0.26 0.00 0.31 0.00 0.00 61.69 60.26 1p8c s THR 22 Cb 0.00 -2.54 0.26 0.00 0.01 0.00 0.00 72.50 70.24 1p8c s THR 22 CO 0.00 0.00 1.94 0.25 -0.69 0.00 0.00 174.62 176.12 1p8c h LEU 23 N 2.42 0.00 0.01 4.42 6.46 -1.99 -2.27 115.31 124.37 1p8c h LEU 23 Ca -0.35 0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.21 1p8c h LEU 23 Cb 1.25 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 41.19 1p8c h LEU 23 CO 0.53 0.18 -0.80 0.78 -0.62 0.00 0.00 178.44 178.51 1p8c h ASN 24 N 0.00 0.68 -0.27 1.25 2.35 -1.98 -1.32 115.58 116.28 1p8c h ASN 24 Ca -0.00 -0.77 0.06 0.00 -0.55 0.00 0.00 56.30 55.04 1p8c h ASN 24 Cb 0.56 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.66 1p8c h ASN 24 CO 0.02 1.36 -0.10 0.74 -1.65 0.00 0.00 177.43 177.81 1p8c h THR 25 N 0.08 0.67 -0.56 2.81 2.02 -1.86 0.02 112.91 116.08 1p8c h THR 25 Ca -0.10 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 1p8c h THR 25 Cb 1.50 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 1p8c h THR 25 CO 0.16 0.00 0.21 0.11 0.37 0.00 0.00 175.52 176.36 1p8c h LYS 26 N -0.04 0.82 -0.24 6.66 1.57 -1.42 -1.31 116.57 122.60 1p8c h LYS 26 Ca 0.14 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1p8c h LYS 26 Cb 0.25 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1p8c h LYS 26 CO -0.31 0.69 -0.44 0.00 -0.57 0.00 0.00 179.45 178.83 1p8c h ARG 27 N 0.81 0.61 0.31 3.15 3.08 -0.18 -1.18 114.38 120.98 1p8c h ARG 27 Ca 0.19 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1p8c h ARG 27 Cb 0.19 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1p8c h ARG 27 CO -0.01 0.93 -0.15 0.35 -1.07 0.00 0.00 179.97 180.01 1p8c h PHE 28 N 0.49 -0.39 -0.74 3.04 3.57 -0.82 -1.63 116.94 120.46 1p8c h PHE 28 Ca 0.03 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.69 1p8c h PHE 28 Cb 0.96 0.13 -0.11 0.00 2.79 0.00 0.00 35.95 39.72 1p8c h PHE 28 CO 0.04 -0.06 0.18 0.74 -2.23 0.00 0.00 178.31 176.99 1p8c h PHE 29 N -0.79 0.29 -0.68 0.41 -1.00 -1.19 0.44 116.94 114.41 1p8c h PHE 29 Ca -0.04 0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1p8c h PHE 29 Cb 0.51 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 40.03 1p8c h PHE 29 CO 0.03 -0.08 0.42 -0.91 -1.61 0.00 0.00 178.31 176.16 1p8c h ASN 30 N 0.28 0.80 0.08 2.17 -0.26 -1.14 -1.78 115.58 115.73 1p8c h ASN 30 Ca 0.42 -0.04 -0.11 0.00 -0.56 0.00 0.00 56.30 56.01 1p8c h ASN 30 Cb 0.71 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.76 1p8c h ASN 30 CO -0.51 0.61 -0.37 0.25 -1.06 0.00 0.00 177.43 176.35 1p8c h LEU 31 N 0.93 0.40 -1.79 1.61 5.85 0.78 0.31 115.31 123.40 1p8c h LEU 31 Ca 0.25 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1p8c h LEU 31 Cb -0.06 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 1p8c h LEU 31 CO -0.05 0.74 -0.15 -0.78 -0.34 0.00 0.00 178.44 177.86 1p8c h ASP 32 N 0.33 0.00 0.06 1.25 3.58 -0.07 -1.92 116.42 119.64 1p8c h ASP 32 Ca 0.04 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.25 1p8c h ASP 32 Cb 0.80 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.84 1p8c h ASP 32 CO 0.06 0.15 -1.22 -1.28 -2.88 0.00 0.00 179.24 174.08 1p8c h SER 33 N 0.00 0.19 -0.77 2.28 0.87 -1.15 -3.39 113.55 111.58 1p8c h SER 33 Ca -0.00 -0.75 0.12 0.00 -1.23 0.00 0.00 61.79 59.92 1p8c h SER 33 Cb 0.30 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.14 1p8c h SER 33 CO 0.02 1.51 0.51 0.00 -0.53 0.00 0.00 176.83 178.34 1p8c h ALA 34 N -0.20 1.88 0.00 6.23 0.00 -0.67 -2.36 119.26 124.15 1p8c h ALA 34 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1p8c h ALA 34 Cb 1.51 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1p8c h ALA 34 CO -0.05 -0.06 0.00 -0.24 0.00 0.00 0.00 179.25 178.90 1p8c h VAL 35 N 0.61 0.00 -0.00 0.00 3.04 -1.55 -2.32 116.25 116.03 1p8c h VAL 35 Ca 0.37 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.85 1p8c h VAL 35 Cb 0.59 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 1p8c h VAL 35 CO -0.14 0.00 -0.43 -1.22 -1.01 0.00 0.00 177.57 174.77 1p8c n TYR 36 N -2.79 0.00 -1.09 3.17 4.01 -0.89 -4.96 117.16 114.62 1p8c n TYR 36 Ca -0.01 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.42 1p8c n TYR 36 Cb 0.17 -0.15 0.12 0.00 -0.31 0.00 0.00 39.34 39.16 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 -2.72 1.84 0.30 -0.72 0.52 -0.88 -4.71 118.95 112.58 1p8c s ARG 37 Ca 0.18 1.27 -0.29 0.00 -0.52 0.00 0.00 55.73 56.36 1p8c s ARG 37 Cb 0.18 -1.84 -0.13 0.00 0.52 0.00 0.00 34.95 33.68 1p8c s ARG 37 CO 0.62 -1.97 1.27 -2.30 0.02 0.00 0.00 175.30 172.94 1p8c n PRO 38 N -3.75 1.95 0.00 3.54 -0.02 -1.26 -4.84 135.00 130.61 1p8c n PRO 38 Ca 0.10 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1p8c n PRO 38 Cb 0.53 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 1.25 3.44 0.33 -1.23 0.00 -1.26 -4.96 105.19 102.77 1p8c n GLY 39 Ca 0.08 -0.40 0.18 0.00 0.00 0.00 0.00 46.02 45.87 1p8c n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p8c h LYS 40 N 0.00 0.00 -5.76 1.61 6.56 -2.05 -3.38 116.57 113.55 1p8c h LYS 40 Ca 0.00 0.00 -0.66 0.00 -1.06 0.00 0.00 60.65 58.93 1p8c h LYS 40 Cb 0.00 0.00 -0.17 0.00 -0.57 0.00 0.00 32.23 31.49 1p8c h LYS 40 CO 0.00 0.00 -0.63 -0.51 -2.06 0.00 0.00 179.45 176.25 1p8c s LEU 41 N -7.23 3.51 0.94 2.94 1.43 -1.26 -5.11 118.68 113.90 1p8c s LEU 41 Ca -0.05 0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 53.00 1p8c s LEU 41 Cb 0.14 -1.82 0.15 0.00 0.03 0.00 0.00 46.19 44.70 1p8c s LEU 41 CO 0.50 0.31 1.12 1.51 0.23 0.00 0.00 176.35 180.02 1p8c s ASP 42 N -0.48 3.23 0.29 2.29 -4.77 -1.26 -4.65 116.67 111.32 1p8c s ASP 42 Ca 0.08 1.08 0.02 0.00 -3.30 0.00 0.00 52.55 50.43 1p8c s ASP 42 Cb -0.12 -1.70 0.43 0.00 -1.09 0.00 0.00 42.92 40.44 1p8c s ASP 42 CO 0.02 -2.74 1.74 1.62 0.70 0.00 0.00 175.17 176.52 1p8c h VAL 43 N -1.62 1.25 -0.48 2.11 3.04 -1.88 -2.24 116.25 116.42 1p8c h VAL 43 Ca -0.52 -1.18 -0.04 0.00 -1.01 0.00 0.00 66.70 63.95 1p8c h VAL 43 Cb 1.33 1.26 -0.02 0.00 -2.01 0.00 0.00 31.29 31.84 1p8c h VAL 43 CO 0.60 0.38 0.14 0.50 -1.01 0.00 0.00 177.57 178.18 1p8c h LYS 44 N 0.46 0.75 -0.50 4.17 3.64 -1.92 0.15 116.57 123.32 1p8c h LYS 44 Ca 0.07 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1p8c h LYS 44 Cb 0.61 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1p8c h LYS 44 CO 0.04 0.72 0.26 1.15 -2.27 0.00 0.00 179.45 179.35 1p8c h THR 45 N 0.64 1.18 -0.38 1.00 2.02 -1.87 -2.10 112.91 113.40 1p8c h THR 45 Ca 0.15 -0.48 -0.10 0.00 0.77 0.00 0.00 66.41 66.76 1p8c h THR 45 Cb 0.29 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1p8c h THR 45 CO -0.00 0.19 -0.17 0.11 0.37 0.00 0.00 175.52 176.02 1p8c h LYS 46 N 0.66 0.70 0.00 6.66 1.57 -1.19 -2.23 116.57 122.74 1p8c h LYS 46 Ca 0.17 -0.25 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1p8c h LYS 46 Cb 0.07 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1p8c h LYS 46 CO -0.03 0.83 -0.37 0.93 -0.57 0.00 0.00 179.45 180.25 1p8c h GLU 47 N 0.63 0.00 0.01 3.15 4.39 -0.71 -1.26 114.58 120.80 1p8c h GLU 47 Ca 0.10 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.59 1p8c h GLU 47 Cb 0.64 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1p8c h GLU 47 CO 0.05 0.37 -0.92 -0.07 -1.16 0.00 0.00 179.01 177.27 1p8c h LEU 48 N 0.00 0.26 -0.79 1.33 3.38 -1.21 -1.79 115.31 116.49 1p8c h LEU 48 Ca -0.00 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 1p8c h LEU 48 Cb 0.74 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1p8c h LEU 48 CO 0.05 1.05 -0.11 0.24 0.09 0.00 0.00 178.44 179.75 1p8c h MET 49 N 0.10 0.79 0.00 1.13 2.86 -0.91 0.28 114.93 119.19 1p8c h MET 49 Ca -0.05 -0.27 -0.06 0.00 -2.06 0.00 0.00 59.70 57.26 1p8c h MET 49 Cb 1.57 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 33.16 1p8c h MET 49 CO 0.14 0.87 -0.29 0.78 1.06 0.00 0.00 176.91 179.48 1p8c h GLY 50 N 0.97 0.00 0.65 8.32 0.00 -1.04 0.40 103.07 112.37 1p8c h GLY 50 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.39 1p8c h GLY 50 CO 0.04 0.00 -0.19 -2.00 0.00 0.00 0.00 176.54 174.39 1p8c h LEU 51 N 0.00 0.31 -0.15 3.11 5.85 -0.27 -1.14 115.31 123.02 1p8c h LEU 51 Ca -0.00 -0.57 0.04 0.00 0.84 0.00 0.00 57.88 58.18 1p8c h LEU 51 Cb 0.53 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1p8c h LEU 51 CO 0.04 0.83 -0.10 0.58 -0.34 0.00 0.00 178.44 179.45 1p8c h VAL 52 N -0.19 0.71 -0.60 1.05 2.07 0.16 -1.79 116.25 117.66 1p8c h VAL 52 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1p8c h VAL 52 Cb 0.78 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1p8c h VAL 52 CO 0.04 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.99 1p8c h ALA 53 N 1.03 0.77 -0.06 1.67 0.00 -0.96 -1.99 119.26 119.71 1p8c h ALA 53 Ca 0.09 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1p8c h ALA 53 Cb 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1p8c h ALA 53 CO -0.21 0.26 -0.23 0.77 0.00 0.00 0.00 179.25 179.84 1p8c h SER 54 N 0.82 0.10 0.12 0.00 0.02 -0.98 -1.89 113.55 111.75 1p8c h SER 54 Ca 0.22 -0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 60.97 1p8c h SER 54 Cb -0.00 -0.03 0.02 0.00 0.14 0.00 0.00 62.40 62.53 1p8c h SER 54 CO -0.04 0.35 -0.76 0.74 -1.14 0.00 0.00 176.83 175.98 1p8c h THR 55 N 0.10 1.51 -0.01 -2.27 2.02 -1.04 -0.86 112.91 112.37 1p8c h THR 55 Ca 0.02 -2.50 -0.06 0.00 0.77 0.00 0.00 66.41 64.63 1p8c h THR 55 Cb 0.47 3.19 -0.01 0.00 -1.74 0.00 0.00 68.15 70.06 1p8c h THR 55 CO 0.03 0.70 -0.28 -0.37 0.37 0.00 0.00 175.52 175.97 1p8c h VAL 56 N -0.45 1.20 -0.01 3.16 -1.51 -1.36 -0.07 116.25 117.20 1p8c h VAL 56 Ca -0.14 -0.97 0.00 0.00 -1.23 0.00 0.00 66.70 64.36 1p8c h VAL 56 Cb 1.57 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 32.24 1p8c h VAL 56 CO 0.12 0.28 -0.04 0.18 -1.23 0.00 0.00 177.57 176.88 1p8c n LEU 57 N -4.20 1.24 -3.62 4.19 4.77 -0.71 -4.89 117.00 113.77 1p8c n LEU 57 Ca -0.02 -0.39 -0.23 0.00 -0.03 0.00 0.00 56.01 55.34 1p8c n LEU 57 Cb 0.33 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.43 1p8c n LEU 57 CO 0.38 0.21 -0.05 0.54 -1.33 0.00 0.00 177.39 177.13 1p8c n ARG 58 N -0.12 -3.46 -3.85 3.23 1.74 -0.04 -4.99 116.66 109.17 1p8c n ARG 58 Ca 0.18 0.62 -0.36 0.00 -0.77 0.00 0.00 57.85 57.52 1p8c n ARG 58 Cb 0.33 -5.00 -0.13 0.00 -1.02 0.00 0.00 32.46 26.64 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 8.05 -1.42 -1.01 0.00 3.32 -1.94 0.17 116.42 123.59 1p8c h ASP 60 Ca -0.19 0.12 0.14 0.00 0.02 0.00 0.00 57.03 57.11 1p8c h ASP 60 Cb 1.06 0.48 -0.09 0.00 0.22 0.00 0.00 39.33 41.00 1p8c h ASP 60 CO 0.58 -0.65 0.63 0.44 -1.72 0.00 0.00 179.24 178.52 1p8c h ASP 61 N -0.97 0.90 -0.50 6.45 3.32 -1.98 0.43 116.42 124.07 1p8c h ASP 61 Ca -0.05 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1p8c h ASP 61 Cb 0.86 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 1p8c h ASP 61 CO -0.10 0.45 0.17 0.00 -1.72 0.00 0.00 179.24 178.03 1p8c h ILE 63 N 0.67 1.07 -0.11 0.00 2.04 0.15 -1.08 117.51 120.25 1p8c h ILE 63 Ca 0.16 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.90 1p8c h ILE 63 Cb 0.25 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1p8c h ILE 63 CO -0.01 0.08 -0.05 0.03 0.00 0.00 0.00 178.15 178.20 1p8c h ARG 64 N 0.43 -0.03 -0.23 2.37 3.08 0.01 -1.28 114.38 118.72 1p8c h ARG 64 Ca 0.12 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.21 1p8c h ARG 64 Cb -0.04 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1p8c h ARG 64 CO -0.04 -0.02 0.04 -0.92 -1.07 0.00 0.00 179.97 177.96 1p8c h TYR 65 N -0.04 0.07 0.00 3.04 3.20 -0.75 -1.52 116.97 120.97 1p8c h TYR 65 Ca 0.06 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1p8c h TYR 65 Cb 0.12 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.40 1p8c h TYR 65 CO -0.17 0.02 0.00 0.45 -1.64 0.00 0.00 178.16 176.81 1p8c h HIS 66 N 0.13 0.00 0.40 -3.82 3.86 -1.09 -2.53 115.15 112.10 1p8c h HIS 66 Ca 0.11 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1p8c h HIS 66 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1p8c h HIS 66 CO -0.16 0.00 -0.19 -0.07 0.86 0.00 0.00 177.93 178.37 1p8c h LEU 67 N 0.00 -0.45 -0.73 2.43 3.38 -0.20 -0.30 115.31 119.45 1p8c h LEU 67 Ca 0.00 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1p8c h LEU 67 Cb 0.50 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1p8c h LEU 67 CO 0.00 -0.05 0.45 -0.37 0.09 0.00 0.00 178.44 178.57 1p8c h VAL 68 N -0.95 1.09 -0.97 1.22 -1.51 -1.38 -0.06 116.25 113.69 1p8c h VAL 68 Ca -0.05 -0.30 0.12 0.00 -1.23 0.00 0.00 66.70 65.23 1p8c h VAL 68 Cb 0.55 0.13 -0.08 0.00 -2.13 0.00 0.00 31.29 29.76 1p8c h VAL 68 CO 0.09 0.16 0.62 0.03 -1.23 0.00 0.00 177.57 177.24 1p8c h ARG 69 N 0.88 0.92 -0.24 5.19 2.47 -1.42 0.21 114.38 122.38 1p8c h ARG 69 Ca 0.30 -0.06 -0.11 0.00 -1.26 0.00 0.00 59.98 58.85 1p8c h ARG 69 Cb 0.04 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.14 1p8c h ARG 69 CO -0.12 0.61 -0.33 0.00 0.56 0.00 0.00 179.97 180.69 1p8c h VAL 71 N 0.44 0.69 -0.68 0.00 2.07 0.55 0.39 116.25 119.72 1p8c h VAL 71 Ca 0.05 -0.45 0.14 0.00 0.82 0.00 0.00 66.70 67.26 1p8c h VAL 71 Cb 0.78 0.92 -0.10 0.00 -1.52 0.00 0.00 31.29 31.38 1p8c h VAL 71 CO 0.06 0.09 0.15 1.56 0.02 0.00 0.00 177.57 179.45 1p8c h GLN 72 N -0.69 0.25 0.00 1.57 4.20 -0.56 0.68 115.11 120.57 1p8c h GLN 72 Ca -0.04 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1p8c h GLN 72 Cb 0.48 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1p8c h GLN 72 CO 0.07 0.17 0.00 0.39 -0.67 0.00 0.00 178.83 178.79 1p8c n GLU 73 N -5.15 0.66 -2.34 1.46 -0.58 -0.66 -4.86 120.64 109.17 1p8c n GLU 73 Ca 0.12 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.80 1p8c n GLU 73 Cb 0.39 -1.30 0.01 0.00 -0.57 0.00 0.00 31.44 29.97 1p8c n GLU 73 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p8c n GLY 74 N 0.25 0.29 3.74 0.62 0.00 0.24 -4.77 105.19 105.56 1p8c n GLY 74 Ca 0.10 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.55 3.34 0.39 4.61 0.00 0.10 -5.02 121.76 122.63 1p8c s ALA 75 Ca 0.05 0.72 -0.22 0.00 0.00 0.00 0.00 51.96 52.51 1p8c s ALA 75 Cb -0.02 -3.28 -0.11 0.00 0.00 0.00 0.00 23.12 19.71 1p8c s ALA 75 CO 0.07 -0.01 0.93 -1.54 0.00 0.00 0.00 175.76 175.21 1p8c s SER 76 N -0.65 7.05 0.55 0.00 1.04 -1.26 -4.71 113.70 115.72 1p8c s SER 76 Ca 0.45 1.70 0.37 0.00 0.48 0.00 0.00 55.95 58.95 1p8c s SER 76 Cb -0.28 -2.54 1.54 0.00 0.10 0.00 0.00 66.02 64.84 1p8c s SER 76 CO 0.34 -0.26 1.78 0.44 0.98 0.00 0.00 173.24 176.52 1p8c h ASP 77 N 2.32 0.00 0.15 7.02 5.19 -1.99 0.58 116.42 129.69 1p8c h ASP 77 Ca -0.48 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.92 1p8c h ASP 77 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1p8c h ASP 77 CO 0.62 0.00 -0.07 -0.33 -3.12 0.00 0.00 179.24 176.34 1p8c h GLU 78 N 0.00 -0.20 -0.59 3.56 3.07 -1.99 -1.44 114.58 117.00 1p8c h GLU 78 Ca 0.56 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 59.54 1p8c h GLU 78 Cb 2.31 0.04 -0.08 0.00 -0.84 0.00 0.00 28.75 30.18 1p8c h GLU 78 CO -0.01 0.11 0.14 0.93 -1.40 0.00 0.00 179.01 178.79 1p8c h GLU 79 N -0.52 0.27 0.30 2.33 5.08 -0.27 0.86 114.58 122.65 1p8c h GLU 79 Ca -0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1p8c h GLU 79 Cb 0.40 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1p8c h GLU 79 CO 0.03 0.18 -0.15 0.82 -1.00 0.00 0.00 179.01 178.90 1p8c h ILE 80 N 0.28 0.71 -0.13 3.13 2.04 -1.12 -2.47 117.51 119.95 1p8c h ILE 80 Ca 0.31 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 66.06 1p8c h ILE 80 Cb 0.44 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1p8c h ILE 80 CO -0.38 0.02 0.07 -0.26 0.00 0.00 0.00 178.15 177.61 1p8c h PHE 81 N -0.46 0.17 0.00 1.37 -1.00 -0.70 0.32 116.94 116.63 1p8c h PHE 81 Ca -0.04 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.68 1p8c h PHE 81 Cb 0.35 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 1p8c h PHE 81 CO -0.04 0.12 -0.31 0.93 -1.61 0.00 0.00 178.31 177.40 1p8c h GLU 82 N 0.18 0.00 0.07 1.51 5.08 -0.54 0.19 114.58 121.06 1p8c h GLU 82 Ca 0.05 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1p8c h GLU 82 Cb 0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1p8c h GLU 82 CO -0.01 0.31 -0.47 0.00 -1.00 0.00 0.00 179.01 177.84 1p8c h ALA 83 N 1.69 -0.02 -0.01 3.43 0.00 -0.54 -3.09 119.26 120.72 1p8c h ALA 83 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1p8c h ALA 83 Cb 0.71 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1p8c h ALA 83 CO 0.04 0.23 0.01 -0.07 0.00 0.00 0.00 179.25 179.46 1p8c h LEU 84 N -0.69 0.00 -0.66 0.00 3.38 -0.29 -0.42 115.31 116.63 1p8c h LEU 84 Ca -0.09 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 1p8c h LEU 84 Cb 1.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 1p8c h LEU 84 CO 0.06 0.00 -0.50 0.44 0.09 0.00 0.00 178.44 178.53 1p8c h ASP 85 N 0.00 0.47 -0.20 -0.43 3.32 -0.62 -1.27 116.42 117.69 1p8c h ASP 85 Ca 0.00 -0.23 -0.14 0.00 0.02 0.00 0.00 57.03 56.68 1p8c h ASP 85 Cb 0.02 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1p8c h ASP 85 CO -0.00 0.89 -0.42 0.40 -1.72 0.00 0.00 179.24 178.39 1p8c h ILE 86 N 0.34 1.32 -0.21 0.35 2.04 -1.03 -2.31 117.51 118.01 1p8c h ILE 86 Ca 0.01 -1.65 -0.00 0.00 1.00 0.00 0.00 64.86 64.22 1p8c h ILE 86 Cb 1.00 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 1p8c h ILE 86 CO 0.09 0.51 0.12 0.00 0.00 0.00 0.00 178.15 178.87 1p8c h ALA 87 N 0.60 0.26 -0.13 1.87 0.00 -1.15 -0.70 119.26 120.01 1p8c h ALA 87 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1p8c h ALA 87 Cb 1.03 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1p8c h ALA 87 CO 0.09 -0.22 -0.07 1.25 0.00 0.00 0.00 179.25 180.30 1p8c h LEU 88 N 0.24 -0.24 -0.22 0.00 6.46 -1.25 0.19 115.31 120.49 1p8c h LEU 88 Ca 0.07 0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.84 1p8c h LEU 88 Cb 0.04 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 1p8c h LEU 88 CO -0.01 -0.10 -0.04 0.58 -0.62 0.00 0.00 178.44 178.25 1p8c h VAL 89 N -0.06 1.28 -0.20 1.05 2.07 -1.32 -0.35 116.25 118.71 1p8c h VAL 89 Ca 0.08 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1p8c h VAL 89 Cb 0.18 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1p8c h VAL 89 CO -0.17 0.31 0.04 0.58 0.02 0.00 0.00 177.57 178.35 1p8c h VAL 90 N 0.15 1.21 -0.03 2.57 2.07 -0.96 -3.25 116.25 118.02 1p8c h VAL 90 Ca 0.06 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1p8c h VAL 90 Cb 0.49 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1p8c h VAL 90 CO 0.02 0.22 0.00 0.61 0.02 0.00 0.00 177.57 178.43 1p8c n GLY 91 N -0.50 0.02 0.10 2.17 0.00 0.64 -5.05 105.19 102.57 1p8c n GLY 91 Ca -0.04 -0.44 0.01 0.00 0.00 0.00 0.00 46.02 45.55 1p8c n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8c n GLY 92 N 1.17 -1.61 0.08 -0.02 0.00 -0.14 -4.43 105.19 100.24 1p8c n GLY 92 Ca 0.19 -1.50 0.08 0.00 0.00 0.00 0.00 46.02 44.79 1p8c n GLY 92 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p8c n SER 93 N -1.83 0.34 0.30 1.61 3.41 -1.26 -1.82 113.62 114.36 1p8c n SER 93 Ca -0.00 0.62 0.18 0.00 -0.26 0.00 0.00 58.87 59.41 1p8c n SER 93 Cb 0.04 -0.68 0.91 0.00 -0.26 0.00 0.00 64.21 64.22 1p8c n SER 93 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1p8c h ILE 94 N 0.00 0.18 0.00 -1.33 3.07 -1.94 -0.76 117.51 116.73 1p8c h ILE 94 Ca 0.00 -0.31 0.00 0.00 1.55 0.00 0.00 64.86 66.10 1p8c h ILE 94 Cb 0.13 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 37.94 1p8c h ILE 94 CO 0.00 0.03 0.00 0.52 -1.05 0.00 0.00 178.15 177.65 1p8c n VAL 95 N -3.26 0.66 -0.07 0.16 0.31 -0.76 -3.98 118.33 111.39 1p8c n VAL 95 Ca -0.02 -0.05 -0.08 0.00 -0.01 0.00 0.00 64.34 64.18 1p8c n VAL 95 Cb 0.19 -0.81 -0.01 0.00 -0.91 0.00 0.00 33.84 32.30 1p8c n VAL 95 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1p8c h ILE 96 N 0.00 0.97 -0.18 2.52 2.04 -1.31 -1.59 117.51 119.96 1p8c h ILE 96 Ca 0.00 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.82 1p8c h ILE 96 Cb 0.56 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1p8c h ILE 96 CO 0.00 0.05 0.25 -0.65 0.00 0.00 0.00 178.15 177.80 1p8c h PRO 97 N 0.27 0.00 0.05 2.37 0.11 -1.79 -1.01 132.00 132.00 1p8c h PRO 97 Ca 0.12 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.96 1p8c h PRO 97 Cb 0.05 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.13 1p8c h PRO 97 CO -0.09 0.00 -1.40 0.45 -0.21 0.00 0.00 178.00 176.74 1p8c h HIS 98 N 0.00 0.18 -0.09 0.65 3.86 -1.58 -3.15 115.15 115.02 1p8c h HIS 98 Ca 0.09 -0.13 -0.11 0.00 -1.16 0.00 0.00 60.37 59.06 1p8c h HIS 98 Cb 0.59 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 1p8c h HIS 98 CO 0.00 1.15 -0.42 1.25 0.86 0.00 0.00 177.93 180.77 1p8c h LEU 99 N 0.03 0.21 0.40 2.43 5.85 -0.47 -0.57 115.31 123.19 1p8c h LEU 99 Ca -0.18 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 1p8c h LEU 99 Cb 1.93 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.91 1p8c h LEU 99 CO 0.13 0.61 -0.19 0.03 -0.34 0.00 0.00 178.44 178.68 1p8c h ARG 100 N 0.17 -0.52 -0.33 1.25 3.08 -1.31 -2.59 114.38 114.13 1p8c h ARG 100 Ca 0.01 0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.13 1p8c h ARG 100 Cb 0.82 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 1p8c h ARG 100 CO 0.06 -0.23 0.13 0.00 -1.07 0.00 0.00 179.97 178.86 1p8c h ARG 101 N -0.77 0.27 -0.83 0.04 3.08 -1.50 -1.64 114.38 113.04 1p8c h ARG 101 Ca -0.06 -0.02 0.23 0.00 0.07 0.00 0.00 59.98 60.21 1p8c h ARG 101 Cb 0.53 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1p8c h ARG 101 CO 0.09 0.18 0.59 0.00 -1.07 0.00 0.00 179.97 179.76 1p8c h ALA 102 N 1.19 2.66 0.21 0.04 0.00 -1.08 0.10 119.26 122.38 1p8c h ALA 102 Ca 0.14 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.76 1p8c h ALA 102 Cb 0.10 0.04 0.03 0.00 0.00 0.00 0.00 17.79 17.96 1p8c h ALA 102 CO -0.13 -0.91 -1.20 0.28 0.00 0.00 0.00 179.25 177.29 1p8c h VAL 103 N 0.08 1.38 -0.45 0.00 2.07 -0.90 -0.82 116.25 117.61 1p8c h VAL 103 Ca 0.40 -2.63 -0.02 0.00 0.82 0.00 0.00 66.70 65.28 1p8c h VAL 103 Cb 1.48 3.11 -0.02 0.00 -1.52 0.00 0.00 31.29 34.34 1p8c h VAL 103 CO -0.04 0.77 0.19 1.23 0.02 0.00 0.00 177.57 179.74 1p8c h GLY 104 N -0.07 0.67 0.76 2.17 0.00 -0.82 0.19 103.07 105.97 1p8c h GLY 104 Ca -0.21 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 46.71 1p8c h GLY 104 CO 0.22 0.30 -0.34 -2.75 0.00 0.00 0.00 176.54 173.97 1p8c h PHE 105 N 0.63 0.54 -0.03 5.60 3.57 -1.05 -2.70 116.94 123.50 1p8c h PHE 105 Ca 0.16 -0.22 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 1p8c h PHE 105 Cb 0.10 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1p8c h PHE 105 CO 0.01 0.95 -0.13 1.25 -2.23 0.00 0.00 178.31 178.15 1p8c h LEU 106 N -0.02 0.05 -0.57 0.59 5.85 -0.63 -1.36 115.31 119.21 1p8c h LEU 106 Ca -0.01 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 1p8c h LEU 106 Cb 0.96 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 1p8c h LEU 106 CO 0.07 0.19 -0.48 -0.33 -0.34 0.00 0.00 178.44 177.55 1p8c h GLU 107 N 0.05 0.58 -0.53 1.25 5.08 -0.92 -1.39 114.58 118.69 1p8c h GLU 107 Ca 0.01 -0.33 -0.06 0.00 -1.00 0.00 0.00 59.36 57.98 1p8c h GLU 107 Cb 0.27 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1p8c h GLU 107 CO 0.02 0.93 0.09 1.49 -1.00 0.00 0.00 179.01 180.55 1p8c h GLU 108 N 0.46 0.87 -0.22 2.33 4.81 -0.93 -1.65 114.58 120.24 1p8c h GLU 108 Ca 0.02 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 58.95 1p8c h GLU 108 Cb 1.01 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1p8c h GLU 108 CO 0.09 0.85 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.98 1p8c h LEU 109 N 0.76 0.37 -0.60 1.64 3.38 -1.21 -2.43 115.31 117.22 1p8c h LEU 109 Ca 0.16 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 1p8c h LEU 109 Cb 0.39 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1p8c h LEU 109 CO 0.01 0.56 -0.53 0.03 0.09 0.00 0.00 178.44 178.60 1p8c h ARG 110 N 0.35 0.47 -0.05 1.13 2.47 -0.89 -1.76 114.38 116.11 1p8c h ARG 110 Ca 0.06 -0.29 -0.00 0.00 -1.26 0.00 0.00 59.98 58.49 1p8c h ARG 110 Cb 0.50 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1p8c h ARG 110 CO 0.03 0.88 0.02 1.49 0.56 0.00 0.00 179.97 182.95 1p8c h GLU 111 N 0.37 0.07 -0.46 0.04 4.81 -0.96 0.24 114.58 118.69 1p8c h GLU 111 Ca 0.01 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1p8c h GLU 111 Cb 1.05 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.37 1p8c h GLU 111 CO 0.09 0.21 0.20 0.52 -0.73 0.00 0.00 179.01 179.31 1p8c h MET 112 N -0.08 0.40 -0.81 1.92 2.86 -1.42 0.78 114.93 118.57 1p8c h MET 112 Ca 0.02 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1p8c h MET 112 Cb 0.17 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 1p8c h MET 112 CO -0.00 0.26 0.54 1.49 1.06 0.00 0.00 176.91 180.26 1p8c h GLU 113 N 0.41 1.05 -0.14 1.72 4.81 -1.09 0.27 114.58 121.62 1p8c h GLU 113 Ca 0.21 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1p8c h GLU 113 Cb 0.15 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1p8c h GLU 113 CO -0.17 0.70 0.07 -0.22 -0.73 0.00 0.00 179.01 178.66 1p8c h LYS 114 N 1.08 0.19 -0.97 1.92 1.63 0.64 -2.14 116.57 118.92 1p8c h LYS 114 Ca 0.30 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.99 1p8c h LYS 114 Cb -0.09 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.45 1p8c h LYS 114 CO -0.07 0.20 0.11 0.09 -3.45 0.00 0.00 179.45 176.34 1p8c n ASN 115 N -4.94 2.88 -0.56 4.20 5.03 0.11 -4.87 115.26 117.10 1p8c n ASN 115 Ca -0.05 -2.35 -0.05 0.00 0.87 0.00 0.00 54.58 53.00 1p8c n ASN 115 Cb 0.07 -0.57 -0.02 0.00 -1.02 0.00 0.00 39.78 38.23 1p8c n ASN 115 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1p8c n GLY 116 N 0.11 0.51 3.77 7.41 0.00 -0.77 -4.94 105.19 111.28 1p8c n GLY 116 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1p8c n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p8c s GLU 117 N -2.02 2.61 0.20 1.61 2.02 0.89 -4.96 118.70 119.04 1p8c s GLU 117 Ca 0.00 1.29 -0.15 0.00 0.02 0.00 0.00 54.97 56.13 1p8c s GLU 117 Cb 0.00 -1.93 -0.08 0.00 0.10 0.00 0.00 34.13 32.22 1p8c s GLU 117 CO 0.00 -1.39 0.62 0.99 0.02 0.00 0.00 175.26 175.50 1p8c s THR 118 N -2.58 4.76 -0.27 3.63 2.01 -1.26 -4.36 115.64 117.57 1p8c s THR 118 Ca 0.64 0.94 -0.01 0.00 0.31 0.00 0.00 61.69 63.57 1p8c s THR 118 Cb -0.19 -3.74 0.14 0.00 0.01 0.00 0.00 72.50 68.71 1p8c s THR 118 CO 0.47 0.15 0.33 0.27 -0.69 0.00 0.00 174.62 175.15 1p8c s ILE 119 N -1.58 -0.49 0.00 1.82 -4.36 -1.26 -5.04 121.20 110.29 1p8c s ILE 119 Ca 0.42 -0.31 0.00 0.00 -0.26 0.00 0.00 60.65 60.50 1p8c s ILE 119 Cb -0.14 -0.92 0.00 0.00 1.25 0.00 0.00 42.46 42.65 1p8c s ILE 119 CO 0.20 -0.32 0.33 -1.54 0.24 0.00 0.00 174.94 173.84