#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 -0.07 0.00 4.31 3.20 -2.00 -0.62 116.97 121.79 1p8c h TYR 3 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1p8c h TYR 3 Cb 0.00 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1p8c h TYR 3 CO 0.00 -0.04 0.19 1.63 -1.64 0.00 0.00 178.16 178.30 1p8c n LYS 4 N -2.90 0.07 -0.04 1.82 4.76 -1.26 0.93 118.16 121.55 1p8c n LYS 4 Ca -0.01 0.52 -0.17 0.00 -2.87 0.00 0.00 58.31 55.78 1p8c n LYS 4 Cb 0.03 -1.93 -0.14 0.00 -1.84 0.00 0.00 35.03 31.15 1p8c n LYS 4 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1p8c n LYS 5 N -1.89 0.70 -0.09 1.97 3.00 -1.24 -3.31 118.16 117.31 1p8c n LYS 5 Ca -0.01 0.22 -0.13 0.00 -0.00 0.00 0.00 58.31 58.39 1p8c n LYS 5 Cb 0.21 -1.66 -0.04 0.00 0.00 0.00 0.00 35.03 33.53 1p8c n LYS 5 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 1p8c h PHE 6 N 0.04 0.81 -0.10 5.64 3.04 0.22 -2.89 116.94 123.70 1p8c h PHE 6 Ca -0.45 -0.23 -0.24 0.00 3.98 0.00 0.00 57.97 61.03 1p8c h PHE 6 Cb 2.02 -0.17 0.01 0.00 2.56 0.00 0.00 35.95 40.37 1p8c h PHE 6 CO 0.04 0.96 -0.86 0.28 -2.02 0.00 0.00 178.31 176.72 1p8c h VAL 7 N 0.42 1.28 0.00 1.41 2.07 -1.09 -2.52 116.25 117.82 1p8c h VAL 7 Ca 0.05 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.51 1p8c h VAL 7 Cb 0.81 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1p8c h VAL 7 CO 0.06 0.65 0.00 -0.08 0.02 0.00 0.00 177.57 178.22 1p8c h GLU 8 N 0.48 0.00 0.06 1.57 4.81 -1.63 -1.88 114.58 117.99 1p8c h GLU 8 Ca -0.08 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.84 1p8c h GLU 8 Cb 1.50 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.85 1p8c h GLU 8 CO 0.17 0.00 -1.72 0.00 -0.73 0.00 0.00 179.01 176.73 1p8c n ALA 9 N -2.08 0.87 -0.07 2.92 0.00 -1.09 -3.42 120.51 117.64 1p8c n ALA 9 Ca 0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 53.44 52.78 1p8c n ALA 9 Cb 0.28 -0.57 -0.01 0.00 0.00 0.00 0.00 19.45 19.15 1p8c n ALA 9 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1p8c h ARG 10 N -0.45 0.09 -0.17 0.00 2.43 -1.38 0.89 114.38 115.79 1p8c h ARG 10 Ca -0.41 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 58.79 1p8c h ARG 10 Cb 1.70 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 31.19 1p8c h ARG 10 CO -0.07 0.06 -0.04 0.07 -1.51 0.00 0.00 179.97 178.48 1p8c h ARG 11 N 0.09 0.01 -0.24 0.20 -0.00 -1.52 0.81 114.38 113.72 1p8c h ARG 11 Ca 0.13 -0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 59.99 1p8c h ARG 11 Cb 0.16 -0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.13 1p8c h ARG 11 CO -0.21 0.00 -0.31 1.49 -0.00 0.00 0.00 179.97 180.94 1p8c h GLU 12 N 0.01 0.63 -0.54 0.08 4.81 -1.48 -2.15 114.58 115.94 1p8c h GLU 12 Ca 0.08 -0.36 0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1p8c h GLU 12 Cb 0.12 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1p8c h GLU 12 CO -0.17 0.97 0.35 -0.07 -0.73 0.00 0.00 179.01 179.36 1p8c h LEU 13 N 0.34 0.60 -0.51 1.64 3.38 0.10 0.05 115.31 120.90 1p8c h LEU 13 Ca 0.03 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1p8c h LEU 13 Cb 0.89 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1p8c h LEU 13 CO 0.07 0.43 0.26 0.78 0.09 0.00 0.00 178.44 180.07 1p8c h ASN 14 N 0.71 0.38 -0.62 -0.43 4.21 0.72 0.50 115.58 121.05 1p8c h ASN 14 Ca 0.20 0.03 -0.04 0.00 1.21 0.00 0.00 56.30 57.70 1p8c h ASN 14 Cb -0.05 -0.04 -0.03 0.00 -1.12 0.00 0.00 38.32 37.07 1p8c h ASN 14 CO -0.06 0.26 0.23 -0.33 -1.29 0.00 0.00 177.43 176.24 1p8c h GLU 15 N 0.51 0.93 -0.64 0.81 5.08 -1.05 -0.36 114.58 119.87 1p8c h GLU 15 Ca 0.22 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1p8c h GLU 15 Cb 0.13 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1p8c h GLU 15 CO -0.15 0.80 0.30 -0.22 -1.00 0.00 0.00 179.01 178.74 1p8c h LYS 16 N 0.87 0.92 -0.56 2.33 3.64 -0.24 0.13 116.57 123.66 1p8c h LYS 16 Ca 0.20 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 1p8c h LYS 16 Cb 0.23 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1p8c h LYS 16 CO -0.01 0.74 0.04 0.28 -2.27 0.00 0.00 179.45 178.24 1p8c h VAL 17 N 0.88 1.26 0.43 2.00 2.07 0.31 -2.67 116.25 120.53 1p8c h VAL 17 Ca 0.22 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1p8c h VAL 17 Cb 0.13 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1p8c h VAL 17 CO -0.03 0.38 -0.21 -0.07 0.02 0.00 0.00 177.57 177.66 1p8c h LEU 18 N 0.84 -0.49 -1.00 2.57 3.38 -0.58 -1.11 115.31 118.91 1p8c h LEU 18 Ca 0.16 0.02 0.26 0.00 0.09 0.00 0.00 57.88 58.41 1p8c h LEU 18 Cb 0.48 0.13 -0.13 0.00 0.09 0.00 0.00 40.66 41.23 1p8c h LEU 18 CO 0.02 -0.30 0.59 0.77 0.09 0.00 0.00 178.44 179.61 1p8c h SER 19 N -0.69 0.64 0.12 -0.43 4.64 -0.83 0.77 113.55 117.77 1p8c h SER 19 Ca -0.06 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1p8c h SER 19 Cb 0.45 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1p8c h SER 19 CO 0.10 0.05 -0.09 0.54 -0.87 0.00 0.00 176.83 176.55 1p8c n ARG 20 N -4.92 1.20 -1.03 4.77 5.12 -1.01 -4.91 116.66 115.87 1p8c n ARG 20 Ca 0.28 -0.62 -0.05 0.00 -1.93 0.00 0.00 57.85 55.53 1p8c n ARG 20 Cb 0.79 -1.49 0.03 0.00 -1.16 0.00 0.00 32.46 30.64 1p8c n ARG 20 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1p8c n GLY 21 N 1.23 0.63 4.02 -0.13 0.00 0.27 -5.06 105.19 106.15 1p8c n GLY 21 Ca 0.17 -1.96 -0.20 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.59 2.26 0.21 2.61 2.01 -1.26 -4.99 115.64 115.89 1p8c s THR 22 Ca 0.15 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 61.22 1p8c s THR 22 Cb -0.01 -2.34 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 1p8c s THR 22 CO 0.10 0.00 1.52 0.25 -0.69 0.00 0.00 174.62 175.80 1p8c h LEU 23 N 0.11 0.50 -1.25 4.42 7.12 -2.00 -2.85 115.31 121.37 1p8c h LEU 23 Ca -0.32 -0.27 -0.02 0.00 0.13 0.00 0.00 57.88 57.39 1p8c h LEU 23 Cb 1.28 -0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 41.24 1p8c h LEU 23 CO 0.41 0.97 0.23 0.78 -0.13 0.00 0.00 178.44 180.70 1p8c h ASN 24 N 0.34 0.68 -0.52 1.25 2.35 -1.99 -0.65 115.58 117.04 1p8c h ASN 24 Ca 0.00 -0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.57 1p8c h ASN 24 Cb 1.10 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.28 1p8c h ASN 24 CO 0.10 0.60 -0.10 0.74 -1.65 0.00 0.00 177.43 177.12 1p8c h THR 25 N 0.75 1.27 0.20 2.81 2.02 -1.89 -0.76 112.91 117.31 1p8c h THR 25 Ca 0.18 -1.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 1p8c h THR 25 Cb 0.12 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1p8c h THR 25 CO -0.02 0.44 -0.10 0.11 0.37 0.00 0.00 175.52 176.32 1p8c h LYS 26 N 0.86 -0.26 -0.56 6.66 6.56 -1.35 0.79 116.57 129.27 1p8c h LYS 26 Ca 0.14 0.02 0.10 0.00 -1.06 0.00 0.00 60.65 59.84 1p8c h LYS 26 Cb 0.67 0.06 -0.08 0.00 -0.57 0.00 0.00 32.23 32.31 1p8c h LYS 26 CO 0.05 0.04 0.12 0.00 -2.06 0.00 0.00 179.45 177.59 1p8c h ARG 27 N -0.56 0.25 -0.30 3.15 3.08 -1.13 0.30 114.38 119.17 1p8c h ARG 27 Ca -0.03 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1p8c h ARG 27 Cb 0.42 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1p8c h ARG 27 CO 0.05 0.16 0.14 0.35 -1.07 0.00 0.00 179.97 179.60 1p8c h PHE 28 N 0.25 0.43 -0.33 3.04 3.57 -0.98 0.26 116.94 123.18 1p8c h PHE 28 Ca 0.29 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.78 1p8c h PHE 28 Cb 0.41 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1p8c h PHE 28 CO -0.24 0.39 0.22 0.74 -2.23 0.00 0.00 178.31 177.19 1p8c h PHE 29 N 0.35 0.36 -0.13 0.41 -1.00 0.19 -0.97 116.94 116.15 1p8c h PHE 29 Ca 0.10 0.01 -0.11 0.00 2.81 0.00 0.00 57.97 60.78 1p8c h PHE 29 Cb 0.12 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1p8c h PHE 29 CO -0.02 0.22 -0.33 -0.91 -1.61 0.00 0.00 178.31 175.66 1p8c h ASN 30 N 0.38 0.52 -0.86 2.17 -0.26 0.19 -2.91 115.58 114.81 1p8c h ASN 30 Ca 0.13 -0.58 0.06 0.00 -0.56 0.00 0.00 56.30 55.35 1p8c h ASN 30 Cb 0.05 -0.15 -0.05 0.00 -1.06 0.00 0.00 38.32 37.10 1p8c h ASN 30 CO -0.03 1.01 0.56 0.25 -1.06 0.00 0.00 177.43 178.16 1p8c h LEU 31 N 0.06 0.86 -1.90 1.61 5.85 -0.44 0.32 115.31 121.67 1p8c h LEU 31 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1p8c h LEU 31 Cb 0.94 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 1p8c h LEU 31 CO 0.07 0.56 -0.07 -0.78 -0.34 0.00 0.00 178.44 177.88 1p8c h ASP 32 N 0.98 0.00 0.03 1.25 3.58 -1.06 -2.09 116.42 119.10 1p8c h ASP 32 Ca 0.37 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.54 1p8c h ASP 32 Cb 0.19 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 1p8c h ASP 32 CO -0.13 0.07 -1.54 -0.24 -2.88 0.00 0.00 179.24 174.52 1p8c n SER 33 N -3.34 1.93 -0.21 2.28 2.88 -0.18 -4.40 113.62 112.58 1p8c n SER 33 Ca -0.01 0.36 0.02 0.00 -1.33 0.00 0.00 58.87 57.91 1p8c n SER 33 Cb 0.25 -0.93 0.12 0.00 -0.75 0.00 0.00 64.21 62.90 1p8c n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1p8c h ALA 34 N -0.39 0.71 -0.05 -1.46 0.00 -0.22 -2.52 119.26 115.33 1p8c h ALA 34 Ca -0.39 0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1p8c h ALA 34 Cb 1.51 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 1p8c h ALA 34 CO -0.15 -0.37 0.22 0.28 0.00 0.00 0.00 179.25 179.24 1p8c h VAL 35 N 0.18 0.09 -0.64 0.00 2.07 -1.59 -1.38 116.25 114.98 1p8c h VAL 35 Ca 0.35 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.87 1p8c h VAL 35 Cb 0.56 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1p8c h VAL 35 CO -0.50 0.00 0.00 -1.22 0.02 0.00 0.00 177.57 175.87 1p8c n TYR 36 N -3.13 1.25 -2.85 1.57 4.01 -0.95 -4.94 117.16 112.11 1p8c n TYR 36 Ca -0.01 -0.53 -0.40 0.00 -0.16 0.00 0.00 57.90 56.80 1p8c n TYR 36 Cb 0.30 -0.15 -0.05 0.00 -0.31 0.00 0.00 39.34 39.12 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 -1.57 4.67 0.02 -0.72 0.52 -0.52 -4.70 118.95 116.64 1p8c s ARG 37 Ca 0.48 1.30 -0.37 0.00 -0.52 0.00 0.00 55.73 56.62 1p8c s ARG 37 Cb 0.29 -3.32 -0.16 0.00 0.52 0.00 0.00 34.95 32.28 1p8c s ARG 37 CO 0.26 0.41 1.43 -2.30 0.02 0.00 0.00 175.30 175.12 1p8c n PRO 38 N 2.10 1.20 0.00 3.54 -0.02 -1.26 -4.88 135.00 135.68 1p8c n PRO 38 Ca -0.02 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1p8c n PRO 38 Cb 0.49 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 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 2.89 5.39 0.32 -1.23 0.00 -1.26 -4.93 105.19 106.36 1p8c n GLY 39 Ca 0.20 -0.88 0.20 0.00 0.00 0.00 0.00 46.02 45.54 1p8c n GLY 39 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1p8c h LYS 40 N 0.00 0.00 -5.44 1.61 1.63 -2.04 -3.38 116.57 108.95 1p8c h LYS 40 Ca 0.00 0.00 -0.64 0.00 -0.85 0.00 0.00 60.65 59.16 1p8c h LYS 40 Cb 0.00 0.00 -0.21 0.00 -0.60 0.00 0.00 32.23 31.42 1p8c h LYS 40 CO 0.00 0.01 -0.66 -0.51 -3.45 0.00 0.00 179.45 174.83 1p8c s LEU 41 N -6.57 3.29 0.91 5.20 1.43 -1.26 -5.11 118.68 116.57 1p8c s LEU 41 Ca -0.05 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 52.86 1p8c s LEU 41 Cb 0.13 -1.78 0.14 0.00 0.03 0.00 0.00 46.19 44.70 1p8c s LEU 41 CO 0.46 0.21 1.09 1.51 0.23 0.00 0.00 176.35 179.85 1p8c s ASP 42 N 0.14 3.30 0.44 2.29 -4.77 -1.26 -4.42 116.67 112.38 1p8c s ASP 42 Ca -0.01 1.67 0.21 0.00 -3.30 0.00 0.00 52.55 51.12 1p8c s ASP 42 Cb -0.14 -2.31 1.02 0.00 -1.09 0.00 0.00 42.92 40.40 1p8c s ASP 42 CO 0.03 -2.78 1.90 1.62 0.70 0.00 0.00 175.17 176.64 1p8c h VAL 43 N -1.64 0.81 -0.61 2.11 3.04 -1.90 -2.57 116.25 115.49 1p8c h VAL 43 Ca -0.49 -1.02 -0.04 0.00 -1.01 0.00 0.00 66.70 64.14 1p8c h VAL 43 Cb 1.28 1.62 -0.03 0.00 -2.01 0.00 0.00 31.29 32.15 1p8c h VAL 43 CO 0.51 0.25 0.22 0.50 -1.01 0.00 0.00 177.57 178.04 1p8c h LYS 44 N 0.00 0.94 -0.32 4.17 3.64 -1.92 -0.75 116.57 122.33 1p8c h LYS 44 Ca -0.00 -0.19 -0.06 0.00 -1.27 0.00 0.00 60.65 59.13 1p8c h LYS 44 Cb 0.60 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1p8c h LYS 44 CO 0.03 0.81 -0.05 1.15 -2.27 0.00 0.00 179.45 179.13 1p8c h THR 45 N 0.86 1.27 -0.55 1.00 2.02 -1.87 -1.94 112.91 113.71 1p8c h THR 45 Ca 0.20 -1.06 0.03 0.00 0.77 0.00 0.00 66.41 66.35 1p8c h THR 45 Cb 0.25 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 1p8c h THR 45 CO -0.01 0.34 0.32 0.11 0.37 0.00 0.00 175.52 176.66 1p8c h LYS 46 N 0.38 0.62 0.00 6.66 6.56 -1.22 0.20 116.57 129.76 1p8c h LYS 46 Ca 0.08 -0.04 -0.08 0.00 -1.06 0.00 0.00 60.65 59.56 1p8c h LYS 46 Cb 0.52 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.03 1p8c h LYS 46 CO 0.03 0.41 -0.39 0.93 -2.06 0.00 0.00 179.45 178.37 1p8c h GLU 47 N 0.63 0.00 -0.01 3.15 4.39 -1.07 0.31 114.58 121.98 1p8c h GLU 47 Ca 0.22 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.74 1p8c h GLU 47 Cb 0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1p8c h GLU 47 CO -0.11 0.39 -0.80 -0.07 -1.16 0.00 0.00 179.01 177.26 1p8c h LEU 48 N 0.00 0.21 -0.48 1.33 3.38 -0.72 -1.00 115.31 118.04 1p8c h LEU 48 Ca -0.00 -0.16 -0.17 0.00 0.09 0.00 0.00 57.88 57.64 1p8c h LEU 48 Cb 0.74 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1p8c h LEU 48 CO 0.05 0.93 -0.67 0.24 0.09 0.00 0.00 178.44 179.08 1p8c h MET 49 N 0.10 0.40 -0.71 1.13 2.86 -0.21 -0.80 114.93 117.70 1p8c h MET 49 Ca -0.03 -0.30 -0.06 0.00 -2.06 0.00 0.00 59.70 57.25 1p8c h MET 49 Cb 1.40 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 33.08 1p8c h MET 49 CO 0.12 0.93 0.21 0.78 1.06 0.00 0.00 176.91 180.01 1p8c h GLY 50 N 1.28 1.19 0.97 8.32 0.00 -0.73 0.15 103.07 114.26 1p8c h GLY 50 Ca -0.02 -0.71 -0.06 0.00 0.00 0.00 0.00 47.33 46.54 1p8c h GLY 50 CO 0.11 0.66 0.05 -2.00 0.00 0.00 0.00 176.54 175.37 1p8c h LEU 51 N 1.06 0.74 -0.62 3.11 5.85 -0.84 0.67 115.31 125.28 1p8c h LEU 51 Ca 0.23 -0.28 -0.11 0.00 0.84 0.00 0.00 57.88 58.57 1p8c h LEU 51 Cb 0.32 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1p8c h LEU 51 CO -0.01 0.83 -0.07 0.58 -0.34 0.00 0.00 178.44 179.44 1p8c h VAL 52 N 0.63 1.27 -0.46 1.05 2.07 -0.86 -0.07 116.25 119.88 1p8c h VAL 52 Ca 0.14 -1.22 -0.13 0.00 0.82 0.00 0.00 66.70 66.31 1p8c h VAL 52 Cb 0.42 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1p8c h VAL 52 CO 0.01 0.43 -0.24 0.00 0.02 0.00 0.00 177.57 177.80 1p8c h ALA 53 N 0.99 0.71 0.00 1.67 0.00 -0.84 -2.37 119.26 119.42 1p8c h ALA 53 Ca 0.15 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1p8c h ALA 53 Cb 0.62 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1p8c h ALA 53 CO 0.04 0.67 -0.08 0.77 0.00 0.00 0.00 179.25 180.65 1p8c h SER 54 N 0.82 0.00 0.00 0.00 0.02 -0.71 -2.69 113.55 110.99 1p8c h SER 54 Ca 0.10 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 1p8c h SER 54 Cb 0.81 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 1p8c h SER 54 CO 0.07 0.08 -0.45 0.74 -1.14 0.00 0.00 176.83 176.13 1p8c h THR 55 N 0.00 1.06 0.00 -2.27 2.02 -0.86 -2.10 112.91 110.76 1p8c h THR 55 Ca -0.00 -1.95 0.00 0.00 0.77 0.00 0.00 66.41 65.23 1p8c h THR 55 Cb 0.77 2.16 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 1p8c h THR 55 CO 0.01 0.36 0.00 -0.37 0.37 0.00 0.00 175.52 175.89 1p8c h VAL 56 N -1.00 0.00 -0.01 3.16 -1.51 -1.49 0.36 116.25 115.76 1p8c h VAL 56 Ca -0.11 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 1p8c h VAL 56 Cb 0.89 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 1p8c h VAL 56 CO -0.07 0.00 -0.44 0.18 -1.23 0.00 0.00 177.57 176.01 1p8c n LEU 57 N -2.86 1.50 -3.65 4.19 4.77 -1.01 -4.86 117.00 115.08 1p8c n LEU 57 Ca -0.02 -0.52 -0.22 0.00 -0.03 0.00 0.00 56.01 55.22 1p8c n LEU 57 Cb 0.08 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1p8c n LEU 57 CO 0.18 0.29 0.04 0.54 -1.33 0.00 0.00 177.39 177.11 1p8c n ARG 58 N -0.45 -5.81 -3.57 3.23 1.74 0.13 -4.98 116.66 106.95 1p8c n ARG 58 Ca 0.10 0.70 -0.41 0.00 -0.77 0.00 0.00 57.85 57.47 1p8c n ARG 58 Cb 0.41 -5.49 -0.09 0.00 -1.02 0.00 0.00 32.46 26.27 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 8.41 -0.18 -0.46 0.00 3.32 -1.94 -0.72 116.42 124.85 1p8c h ASP 60 Ca -0.20 0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1p8c h ASP 60 Cb 1.07 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 1p8c h ASP 60 CO 0.85 -0.09 0.28 0.44 -1.72 0.00 0.00 179.24 179.01 1p8c h ASP 61 N 0.16 0.55 0.25 6.45 5.19 -1.97 0.90 116.42 127.95 1p8c h ASP 61 Ca 0.34 -0.05 -0.05 0.00 -0.62 0.00 0.00 57.03 56.65 1p8c h ASP 61 Cb 0.56 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 1p8c h ASP 61 CO -0.51 0.44 -0.25 0.00 -3.12 0.00 0.00 179.24 175.79 1p8c h ILE 63 N 0.00 1.06 0.02 0.00 2.04 -0.50 -1.54 117.51 118.59 1p8c h ILE 63 Ca -0.00 -1.18 0.02 0.00 1.00 0.00 0.00 64.86 64.70 1p8c h ILE 63 Cb 0.44 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 1p8c h ILE 63 CO 0.03 0.26 -0.16 0.03 0.00 0.00 0.00 178.15 178.31 1p8c h ARG 64 N -0.76 -0.27 -0.18 2.37 3.08 -0.66 -0.74 114.38 117.23 1p8c h ARG 64 Ca -0.02 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.10 1p8c h ARG 64 Cb 0.55 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.59 1p8c h ARG 64 CO 0.03 -0.18 -0.45 -0.92 -1.07 0.00 0.00 179.97 177.38 1p8c h TYR 65 N -0.28 -1.32 0.00 3.04 3.20 -1.10 -1.04 116.97 119.48 1p8c h TYR 65 Ca 0.05 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1p8c h TYR 65 Cb 0.33 0.60 -0.00 0.00 1.54 0.00 0.00 36.73 39.21 1p8c h TYR 65 CO -0.21 -0.49 -0.01 0.45 -1.64 0.00 0.00 178.16 176.27 1p8c h HIS 66 N -0.48 0.00 0.04 -3.82 3.86 -1.09 -2.62 115.15 111.03 1p8c h HIS 66 Ca 0.08 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1p8c h HIS 66 Cb 0.63 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.10 1p8c h HIS 66 CO -0.54 0.01 -0.02 -0.07 0.86 0.00 0.00 177.93 178.17 1p8c h LEU 67 N 0.00 -0.04 -0.45 2.43 3.38 0.15 -0.98 115.31 119.81 1p8c h LEU 67 Ca -0.00 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.53 1p8c h LEU 67 Cb 0.29 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1p8c h LEU 67 CO 0.00 0.47 0.21 -0.37 0.09 0.00 0.00 178.44 178.84 1p8c h VAL 68 N -0.57 0.94 -0.52 1.22 -1.51 -1.10 -0.52 116.25 114.20 1p8c h VAL 68 Ca -0.00 -0.14 0.09 0.00 -1.23 0.00 0.00 66.70 65.41 1p8c h VAL 68 Cb 0.52 0.49 -0.07 0.00 -2.13 0.00 0.00 31.29 30.09 1p8c h VAL 68 CO 0.01 0.08 0.11 0.03 -1.23 0.00 0.00 177.57 176.56 1p8c h ARG 69 N 0.42 0.24 -0.45 5.19 2.47 -1.46 0.69 114.38 121.48 1p8c h ARG 69 Ca 0.20 -0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.96 1p8c h ARG 69 Cb 0.13 -0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.35 1p8c h ARG 69 CO -0.16 0.16 0.18 0.00 0.56 0.00 0.00 179.97 180.71 1p8c h VAL 71 N 0.37 0.00 0.00 0.00 2.07 0.16 -1.61 116.25 117.23 1p8c h VAL 71 Ca 0.21 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.73 1p8c h VAL 71 Cb 0.18 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1p8c h VAL 71 CO -0.20 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.39 1p8c n GLN 72 N -4.81 0.00 -0.15 1.57 10.64 0.11 0.77 117.38 125.51 1p8c n GLN 72 Ca -0.13 0.00 0.05 0.00 -1.83 0.00 0.00 57.00 55.09 1p8c n GLN 72 Cb 0.41 -1.49 0.13 0.00 -0.86 0.00 0.00 30.24 28.43 1p8c n GLN 72 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1p8c n GLU 73 N -0.92 2.74 -2.59 2.61 -0.58 -0.66 -4.99 120.64 116.25 1p8c n GLU 73 Ca 0.00 -1.95 -0.08 0.00 -0.42 0.00 0.00 57.16 54.71 1p8c n GLU 73 Cb 0.00 -1.24 0.02 0.00 -0.57 0.00 0.00 31.44 29.64 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 0.43 0.29 3.67 0.62 0.00 0.23 -4.80 105.19 105.64 1p8c n GLY 74 Ca 0.10 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.82 3.57 1.23 4.61 0.00 -0.91 -5.04 121.76 122.40 1p8c s ALA 75 Ca 0.12 -0.62 -0.16 0.00 0.00 0.00 0.00 51.96 51.30 1p8c s ALA 75 Cb -0.05 -2.53 0.30 0.00 0.00 0.00 0.00 23.12 20.83 1p8c s ALA 75 CO 0.15 -0.24 1.01 -1.54 0.00 0.00 0.00 175.76 175.15 1p8c s SER 76 N 1.00 0.55 0.00 0.00 1.04 -1.26 -4.65 113.70 110.37 1p8c s SER 76 Ca 0.16 1.17 0.29 0.00 0.48 0.00 0.00 55.95 58.05 1p8c s SER 76 Cb -0.14 -1.78 1.29 0.00 0.10 0.00 0.00 66.02 65.48 1p8c s SER 76 CO 0.07 -4.42 1.92 0.47 0.98 0.00 0.00 173.24 172.25 1p8c n ASP 77 N -5.03 0.19 -0.05 7.02 8.00 -1.26 -2.54 116.55 122.88 1p8c n ASP 77 Ca 0.07 -0.15 -0.19 0.00 0.71 0.00 0.00 54.79 55.23 1p8c n ASP 77 Cb 0.57 -0.22 -0.13 0.00 -0.02 0.00 0.00 41.12 41.32 1p8c n ASP 77 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1p8c h GLU 78 N 0.18 0.09 -0.48 -1.24 4.81 -1.99 -2.60 114.58 113.36 1p8c h GLU 78 Ca 0.00 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1p8c h GLU 78 Cb 0.37 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1p8c h GLU 78 CO 0.00 1.07 0.25 0.93 -0.73 0.00 0.00 179.01 180.54 1p8c h GLU 79 N -0.77 0.67 -0.52 1.92 5.08 -1.90 0.12 114.58 119.18 1p8c h GLU 79 Ca -0.20 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1p8c h GLU 79 Cb 1.35 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1p8c h GLU 79 CO -0.04 0.54 0.35 0.82 -1.00 0.00 0.00 179.01 179.68 1p8c h ILE 80 N 0.63 1.14 -0.29 3.13 2.04 -1.62 -1.80 117.51 120.73 1p8c h ILE 80 Ca 0.17 -0.25 -0.13 0.00 1.00 0.00 0.00 64.86 65.64 1p8c h ILE 80 Cb 0.07 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1p8c h ILE 80 CO -0.03 0.13 -0.34 -0.26 0.00 0.00 0.00 178.15 177.65 1p8c h PHE 81 N 0.71 0.90 -0.82 1.37 -1.00 -1.18 -1.09 116.94 115.84 1p8c h PHE 81 Ca 0.19 -0.28 0.10 0.00 2.81 0.00 0.00 57.97 60.79 1p8c h PHE 81 Cb -0.08 -0.18 -0.06 0.00 3.61 0.00 0.00 35.95 39.24 1p8c h PHE 81 CO -0.04 1.05 0.53 0.93 -1.61 0.00 0.00 178.31 179.18 1p8c h GLU 82 N 0.50 0.71 0.01 1.51 5.08 -0.57 0.23 114.58 122.04 1p8c h GLU 82 Ca 0.04 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1p8c h GLU 82 Cb 0.93 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1p8c h GLU 82 CO 0.08 0.47 -0.91 0.00 -1.00 0.00 0.00 179.01 177.65 1p8c h ALA 83 N 1.60 0.51 -0.36 3.43 0.00 -1.14 -3.08 119.26 120.22 1p8c h ALA 83 Ca 0.38 -0.78 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 1p8c h ALA 83 Cb 0.50 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1p8c h ALA 83 CO -0.15 1.03 -0.29 -0.07 0.00 0.00 0.00 179.25 179.77 1p8c h LEU 84 N 0.04 0.78 -1.39 0.00 3.38 0.20 -2.56 115.31 115.77 1p8c h LEU 84 Ca -0.03 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.68 1p8c h LEU 84 Cb 1.57 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 1p8c h LEU 84 CO 0.13 1.02 0.45 0.44 0.09 0.00 0.00 178.44 180.57 1p8c h ASP 85 N 0.65 0.68 -0.28 -0.43 3.32 -0.54 0.94 116.42 120.76 1p8c h ASP 85 Ca 0.08 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1p8c h ASP 85 Cb 0.81 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1p8c h ASP 85 CO 0.07 0.46 0.05 0.40 -1.72 0.00 0.00 179.24 178.50 1p8c h ILE 86 N 0.78 1.23 -0.35 0.35 2.04 -1.41 -1.90 117.51 118.25 1p8c h ILE 86 Ca 0.28 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 1p8c h ILE 86 Cb 0.14 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1p8c h ILE 86 CO -0.09 0.25 0.06 0.00 0.00 0.00 0.00 178.15 178.38 1p8c h ALA 87 N 0.88 1.47 0.38 1.87 0.00 -0.94 -1.38 119.26 121.53 1p8c h ALA 87 Ca 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1p8c h ALA 87 Cb 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1p8c h ALA 87 CO 0.00 0.39 -0.18 1.25 0.00 0.00 0.00 179.25 180.71 1p8c h LEU 88 N 0.50 -0.43 -0.16 0.00 6.46 -0.57 0.65 115.31 121.76 1p8c h LEU 88 Ca 0.12 -0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 1p8c h LEU 88 Cb 0.23 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 1p8c h LEU 88 CO -0.00 -0.14 0.03 0.58 -0.62 0.00 0.00 178.44 178.29 1p8c h VAL 89 N -0.73 1.21 -0.02 1.05 2.07 -1.26 0.23 116.25 118.80 1p8c h VAL 89 Ca -0.05 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1p8c h VAL 89 Cb 0.51 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1p8c h VAL 89 CO 0.09 0.21 -0.00 0.58 0.02 0.00 0.00 177.57 178.46 1p8c h VAL 90 N 0.06 1.28 0.00 2.57 2.07 -1.31 -3.24 116.25 117.68 1p8c h VAL 90 Ca 0.05 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1p8c h VAL 90 Cb 0.29 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1p8c h VAL 90 CO 0.00 0.22 0.00 1.23 0.02 0.00 0.00 177.57 179.04 1p8c h GLY 91 N -0.31 0.00 0.00 2.17 0.00 0.31 -3.50 103.07 101.75 1p8c h GLY 91 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1p8c h GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1p8c n GLY 92 N 0.09 -0.69 0.02 4.60 0.00 0.80 -4.47 105.19 105.54 1p8c n GLY 92 Ca 0.01 -1.71 0.07 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.21 0.11 0.21 1.61 3.41 -1.26 -2.42 113.62 114.07 1p8c n SER 93 Ca 0.00 0.53 0.15 0.00 -0.26 0.00 0.00 58.87 59.29 1p8c n SER 93 Cb 0.00 -0.55 0.65 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.00 0.00 -1.33 3.07 -1.93 -2.26 117.51 115.06 1p8c h ILE 94 Ca 0.00 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 66.14 1p8c h ILE 94 Cb 0.22 1.09 0.00 0.00 -0.27 0.00 0.00 36.82 37.86 1p8c h ILE 94 CO 0.00 0.00 -0.37 -0.37 -1.05 0.00 0.00 178.15 176.36 1p8c h VAL 95 N 0.00 0.00 -0.83 0.16 -1.51 -1.72 -3.37 116.25 108.98 1p8c h VAL 95 Ca 0.00 -0.54 0.21 0.00 -1.23 0.00 0.00 66.70 65.14 1p8c h VAL 95 Cb 0.33 1.30 -0.14 0.00 -2.13 0.00 0.00 31.29 30.64 1p8c h VAL 95 CO 0.00 0.00 0.09 0.40 -1.23 0.00 0.00 177.57 176.83 1p8c h ILE 96 N 0.00 0.29 -0.35 7.19 2.04 -1.60 0.26 117.51 125.34 1p8c h ILE 96 Ca 0.00 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 65.89 1p8c h ILE 96 Cb 0.77 0.15 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 1p8c h ILE 96 CO 0.00 0.02 -0.11 -0.65 0.00 0.00 0.00 178.15 177.42 1p8c h PRO 97 N 0.13 -0.03 -0.47 2.37 0.11 -1.80 -1.78 132.00 130.53 1p8c h PRO 97 Ca 0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.58 1p8c h PRO 97 Cb 0.92 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 1p8c h PRO 97 CO -0.70 -0.02 0.21 0.45 -0.21 0.00 0.00 178.00 177.74 1p8c h HIS 98 N -0.03 0.65 -0.32 0.65 3.86 -0.83 -1.31 115.15 117.83 1p8c h HIS 98 Ca 0.17 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 1p8c h HIS 98 Cb 0.29 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1p8c h HIS 98 CO -0.34 0.50 0.17 1.25 0.86 0.00 0.00 177.93 180.37 1p8c h LEU 99 N 0.66 0.39 0.55 2.43 5.85 -0.30 -0.01 115.31 124.88 1p8c h LEU 99 Ca 0.16 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1p8c h LEU 99 Cb 0.10 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.03 1p8c h LEU 99 CO -0.02 0.32 -0.26 0.03 -0.34 0.00 0.00 178.44 178.16 1p8c h ARG 100 N 0.45 -0.71 -0.99 1.25 3.08 -0.47 -2.65 114.38 114.33 1p8c h ARG 100 Ca 0.12 0.05 0.21 0.00 0.07 0.00 0.00 59.98 60.42 1p8c h ARG 100 Cb 0.02 0.16 -0.10 0.00 0.08 0.00 0.00 29.97 30.13 1p8c h ARG 100 CO -0.02 -0.47 0.62 0.00 -1.07 0.00 0.00 179.97 179.02 1p8c h ARG 101 N -1.03 0.63 -0.18 0.04 3.08 -1.27 0.22 114.38 115.87 1p8c h ARG 101 Ca -0.08 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 1p8c h ARG 101 Cb 0.57 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1p8c h ARG 101 CO 0.12 0.41 -0.13 0.00 -1.07 0.00 0.00 179.97 179.31 1p8c h ALA 102 N 1.64 1.45 0.54 0.04 0.00 -1.00 -2.23 119.26 119.70 1p8c h ALA 102 Ca 0.57 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1p8c h ALA 102 Cb 1.04 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1p8c h ALA 102 CO -0.34 0.39 -0.26 0.28 0.00 0.00 0.00 179.25 179.32 1p8c h VAL 103 N 0.28 0.00 -0.99 0.00 2.07 -0.21 0.05 116.25 117.44 1p8c h VAL 103 Ca 0.06 -0.40 0.29 0.00 0.82 0.00 0.00 66.70 67.46 1p8c h VAL 103 Cb 0.40 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 1p8c h VAL 103 CO 0.02 0.00 0.71 1.23 0.02 0.00 0.00 177.57 179.56 1p8c h GLY 104 N -1.12 0.01 1.28 2.17 0.00 -1.38 0.51 103.07 104.54 1p8c h GLY 104 Ca -0.07 -0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.93 1p8c h GLY 104 CO 0.12 -0.00 -1.42 -2.75 0.00 0.00 0.00 176.54 172.49 1p8c h PHE 105 N 0.00 0.97 -0.04 5.60 3.57 -1.33 -3.04 116.94 122.67 1p8c h PHE 105 Ca 0.47 -0.69 0.04 0.00 3.53 0.00 0.00 57.97 61.32 1p8c h PHE 105 Cb 1.89 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 40.53 1p8c h PHE 105 CO -0.00 1.53 -0.31 1.25 -2.23 0.00 0.00 178.31 178.55 1p8c h LEU 106 N 0.18 -0.92 -0.14 0.59 5.85 0.12 -2.11 115.31 118.87 1p8c h LEU 106 Ca -0.24 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.64 1p8c h LEU 106 Cb 2.10 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 43.48 1p8c h LEU 106 CO 0.27 -0.36 -0.05 1.05 -0.34 0.00 0.00 178.44 179.00 1p8c h GLU 107 N -0.43 -0.02 -0.57 1.25 4.11 -1.58 0.41 114.58 117.75 1p8c h GLU 107 Ca 0.07 0.00 0.16 0.00 0.07 0.00 0.00 59.36 59.67 1p8c h GLU 107 Cb 0.54 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1p8c h GLU 107 CO -0.29 -0.01 0.69 1.49 0.07 0.00 0.00 179.01 180.96 1p8c h GLU 108 N -0.02 0.00 0.18 1.06 4.81 -1.32 0.42 114.58 119.70 1p8c h GLU 108 Ca 0.07 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.00 1p8c h GLU 108 Cb 0.13 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.52 1p8c h GLU 108 CO -0.16 0.00 -1.48 -0.07 -0.73 0.00 0.00 179.01 176.57 1p8c h LEU 109 N 0.00 0.58 -2.24 1.64 3.38 -0.29 -3.12 115.31 115.27 1p8c h LEU 109 Ca 0.27 -0.91 -0.01 0.00 0.09 0.00 0.00 57.88 57.32 1p8c h LEU 109 Cb 1.64 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.20 1p8c h LEU 109 CO -0.00 1.68 -0.03 0.03 0.09 0.00 0.00 178.44 180.20 1p8c h ARG 110 N -0.06 0.00 0.39 1.13 2.47 0.49 -2.78 114.38 116.02 1p8c h ARG 110 Ca -0.29 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.41 1p8c h ARG 110 Cb 1.96 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.29 1p8c h ARG 110 CO 0.16 0.03 -0.19 1.49 0.56 0.00 0.00 179.97 182.03 1p8c h GLU 111 N 0.00 -0.50 -1.02 0.04 4.57 -1.05 -2.61 114.58 114.01 1p8c h GLU 111 Ca -0.00 0.03 0.27 0.00 -1.18 0.00 0.00 59.36 58.48 1p8c h GLU 111 Cb 0.24 0.11 -0.12 0.00 -0.16 0.00 0.00 28.75 28.82 1p8c h GLU 111 CO 0.00 -0.33 0.62 0.52 -1.18 0.00 0.00 179.01 178.64 1p8c h MET 112 N -0.99 0.47 -0.01 1.92 2.86 -1.44 -0.61 114.93 117.14 1p8c h MET 112 Ca -0.05 -0.03 -0.24 0.00 -2.06 0.00 0.00 59.70 57.32 1p8c h MET 112 Cb 0.40 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 31.96 1p8c h MET 112 CO 0.09 0.31 -0.97 1.05 1.06 0.00 0.00 176.91 178.45 1p8c h GLU 113 N 0.49 0.53 -1.02 1.72 4.11 -1.58 1.93 114.58 120.76 1p8c h GLU 113 Ca 0.65 -0.57 0.28 0.00 0.07 0.00 0.00 59.36 59.80 1p8c h GLU 113 Cb 1.40 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.76 1p8c h GLU 113 CO -0.45 1.19 0.71 -0.22 0.07 0.00 0.00 179.01 180.32 1p8c h LYS 114 N 0.30 0.12 -0.66 1.06 3.64 -0.70 0.76 116.57 121.09 1p8c h LYS 114 Ca -0.10 -0.01 -0.44 0.00 -1.27 0.00 0.00 60.65 58.83 1p8c h LYS 114 Cb 1.61 -0.03 -0.28 0.00 -0.41 0.00 0.00 32.23 33.13 1p8c h LYS 114 CO 0.18 0.08 -0.13 0.09 -2.27 0.00 0.00 179.45 177.40 1p8c n ASN 115 N -4.34 4.62 -0.43 4.20 4.13 -1.06 -4.95 115.26 117.43 1p8c n ASN 115 Ca 0.22 -3.78 -0.01 0.00 1.68 0.00 0.00 54.58 52.70 1p8c n ASN 115 Cb 1.01 -0.61 -0.00 0.00 -1.54 0.00 0.00 39.78 38.64 1p8c n ASN 115 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1p8c n GLY 116 N -0.92 0.09 3.71 7.41 0.00 0.26 -4.84 105.19 110.91 1p8c n GLY 116 Ca 0.45 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 1p8c n GLY 116 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p8c s GLU 117 N -1.02 4.14 0.53 1.61 2.12 0.65 -4.90 118.70 121.83 1p8c s GLU 117 Ca 0.00 2.56 -0.19 0.00 0.36 0.00 0.00 54.97 57.70 1p8c s GLU 117 Cb 0.00 -3.18 -0.10 0.00 0.26 0.00 0.00 34.13 31.12 1p8c s GLU 117 CO 0.00 -0.74 0.57 2.41 -0.54 0.00 0.00 175.26 176.96 1p8c n THR 118 N 4.12 2.19 -0.61 -1.70 -1.04 -1.26 -4.26 114.28 111.72 1p8c n THR 118 Ca 0.16 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 1p8c n THR 118 Cb 0.36 -0.70 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 1p8c n THR 118 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05