#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r8d s LYS 2 N 0.00 2.34 0.09 3.17 3.01 -1.26 -4.05 119.74 123.03 1r8d s LYS 2 Ca 0.00 -0.84 0.09 0.00 -1.01 0.00 0.00 55.97 54.21 1r8d s LYS 2 Cb 0.00 -2.36 -0.03 0.00 -1.01 0.00 0.00 37.83 34.42 1r8d s LYS 2 CO 0.00 0.57 -0.24 0.71 0.51 0.00 0.00 175.35 176.91 1r8d s TYR 3 N -0.97 2.04 0.31 3.18 1.51 0.19 -4.88 117.35 118.72 1r8d s TYR 3 Ca 0.16 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 55.90 1r8d s TYR 3 Cb -0.11 -1.15 -0.03 0.00 -0.11 0.00 0.00 41.96 40.56 1r8d s TYR 3 CO 0.07 0.21 0.28 1.14 -1.11 0.00 0.00 175.55 176.13 1r8d s GLN 4 N -1.67 2.82 0.16 -0.62 -2.07 -1.26 0.22 119.66 117.24 1r8d s GLN 4 Ca 0.10 -1.20 -0.18 0.00 -1.82 0.00 0.00 55.36 52.27 1r8d s GLN 4 Cb -0.10 -2.53 0.11 0.00 -1.09 0.00 0.00 33.01 29.40 1r8d s GLN 4 CO 0.04 0.18 1.23 1.33 -1.32 0.00 0.00 175.29 176.75 1r8d n VAL 5 N -1.34 -0.46 -0.32 3.63 0.24 -1.26 -0.99 118.33 117.83 1r8d n VAL 5 Ca -0.04 1.88 -0.00 0.00 -2.04 0.00 0.00 64.34 64.14 1r8d n VAL 5 Cb 0.59 -2.42 0.06 0.00 -1.47 0.00 0.00 33.84 30.60 1r8d n VAL 5 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1r8d h LYS 6 N 0.00 -0.04 0.38 7.34 1.63 -1.97 0.15 116.57 124.06 1r8d h LYS 6 Ca 0.22 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.01 1r8d h LYS 6 Cb 0.42 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1r8d h LYS 6 CO -0.77 -0.02 -0.18 1.96 -3.45 0.00 0.00 179.45 176.98 1r8d h GLN 7 N -0.04 -0.49 -0.86 1.90 4.20 -1.46 -1.76 115.11 116.60 1r8d h GLN 7 Ca 0.35 0.03 0.20 0.00 0.06 0.00 0.00 58.65 59.30 1r8d h GLN 7 Cb 0.61 0.11 -0.12 0.00 0.30 0.00 0.00 27.48 28.38 1r8d h GLN 7 CO -0.90 -0.33 0.34 -0.24 -0.67 0.00 0.00 178.83 177.04 1r8d h VAL 8 N -0.64 0.49 0.16 -0.54 3.04 -1.23 0.32 116.25 117.85 1r8d h VAL 8 Ca -0.05 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 1r8d h VAL 8 Cb 0.39 0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 29.74 1r8d h VAL 8 CO 0.09 0.07 -0.14 0.00 -1.01 0.00 0.00 177.57 176.57 1r8d h ALA 9 N 1.68 -0.29 -0.22 3.17 0.00 -0.72 -0.48 119.26 122.40 1r8d h ALA 9 Ca 0.52 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.40 1r8d h ALA 9 Cb 0.96 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1r8d h ALA 9 CO -0.52 -0.68 0.15 1.49 0.00 0.00 0.00 179.25 179.69 1r8d h GLU 10 N -0.32 0.25 0.00 0.00 4.81 0.17 0.17 114.58 119.67 1r8d h GLU 10 Ca -0.00 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.04 1r8d h GLU 10 Cb 0.29 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1r8d h GLU 10 CO -0.03 0.16 -0.83 0.82 -0.73 0.00 0.00 179.01 178.41 1r8d h ILE 11 N 0.26 1.48 0.00 2.32 2.04 -0.05 -3.35 117.51 120.20 1r8d h ILE 11 Ca 0.09 -2.94 0.00 0.00 1.00 0.00 0.00 64.86 63.01 1r8d h ILE 11 Cb 0.04 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1r8d h ILE 11 CO -0.02 0.81 -1.03 -1.54 0.00 0.00 0.00 178.15 176.37 1r8d n SER 12 N -3.39 0.88 0.00 1.72 3.41 -0.23 -5.01 113.62 111.00 1r8d n SER 12 Ca 0.00 -0.64 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 1r8d n SER 12 Cb 0.84 1.21 0.00 0.00 -0.26 0.00 0.00 64.21 66.00 1r8d n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r8d n GLY 13 N 1.43 3.23 3.91 5.00 0.00 0.56 -5.04 105.19 114.27 1r8d n GLY 13 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1r8d n GLY 13 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r8d s VAL 14 N -2.24 3.18 0.50 1.61 -7.23 -1.20 -4.97 120.40 110.05 1r8d s VAL 14 Ca 0.00 0.13 -0.07 0.00 -1.81 0.00 0.00 61.98 60.23 1r8d s VAL 14 Cb 0.00 -3.34 -0.04 0.00 0.56 0.00 0.00 36.38 33.57 1r8d s VAL 14 CO 0.00 -0.39 0.83 -0.94 -0.31 0.00 0.00 175.10 174.29 1r8d s SER 15 N -4.39 6.27 0.23 4.85 1.04 -1.26 -4.38 113.70 116.06 1r8d s SER 15 Ca 0.57 1.04 -0.07 0.00 0.48 0.00 0.00 55.95 57.97 1r8d s SER 15 Cb -0.11 -2.30 0.25 0.00 0.10 0.00 0.00 66.02 63.97 1r8d s SER 15 CO 0.48 -0.62 1.88 0.40 0.98 0.00 0.00 173.24 176.36 1r8d h ILE 16 N 0.17 1.15 -0.98 -1.02 2.04 -1.94 -0.30 117.51 116.63 1r8d h ILE 16 Ca -0.46 -0.37 0.16 0.00 1.00 0.00 0.00 64.86 65.19 1r8d h ILE 16 Cb 1.20 -0.03 -0.09 0.00 -0.74 0.00 0.00 36.82 37.16 1r8d h ILE 16 CO 0.62 0.20 0.61 -0.09 0.00 0.00 0.00 178.15 179.49 1r8d h ARG 17 N 1.08 0.77 -0.17 2.37 9.65 -1.99 0.20 114.38 126.29 1r8d h ARG 17 Ca 0.34 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.17 1r8d h ARG 17 Cb -0.01 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.39 1r8d h ARG 17 CO -0.11 0.51 0.10 1.15 2.80 0.00 0.00 179.97 184.42 1r8d h THR 18 N 0.80 1.09 -0.79 0.20 2.02 -1.44 -1.11 112.91 113.67 1r8d h THR 18 Ca 0.52 -0.22 0.06 0.00 0.77 0.00 0.00 66.41 67.54 1r8d h THR 18 Cb 0.76 0.93 -0.06 0.00 -1.74 0.00 0.00 68.15 68.04 1r8d h THR 18 CO -0.29 0.08 0.48 -0.07 0.37 0.00 0.00 175.52 176.09 1r8d h LEU 19 N 0.19 0.75 0.63 2.58 3.38 -0.52 0.12 115.31 122.43 1r8d h LEU 19 Ca 0.06 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1r8d h LEU 19 Cb 0.04 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.67 1r8d h LEU 19 CO -0.01 0.48 -0.30 0.45 0.09 0.00 0.00 178.44 179.15 1r8d h HIS 20 N 0.88 -0.78 -0.47 1.13 3.86 -0.97 -1.34 115.15 117.45 1r8d h HIS 20 Ca 0.35 -0.02 0.10 0.00 -1.16 0.00 0.00 60.37 59.64 1r8d h HIS 20 Cb 0.17 0.26 -0.10 0.00 1.06 0.00 0.00 27.41 28.80 1r8d h HIS 20 CO -0.05 -0.47 -0.24 1.25 0.86 0.00 0.00 177.93 179.29 1r8d h HIS 21 N -0.89 -0.63 -0.01 2.45 -0.00 -0.67 1.04 115.15 116.44 1r8d h HIS 21 Ca -0.09 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 1r8d h HIS 21 Cb 0.66 0.35 -0.00 0.00 -0.00 0.00 0.00 27.41 28.42 1r8d h HIS 21 CO -0.02 -0.32 0.04 1.88 -0.00 0.00 0.00 177.93 179.51 1r8d h TYR 22 N -0.14 0.00 0.06 5.26 -1.99 -0.62 -0.06 116.97 119.48 1r8d h TYR 22 Ca 0.22 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.85 1r8d h TYR 22 Cb 0.48 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.22 1r8d h TYR 22 CO -0.51 0.00 -0.41 0.22 -0.00 0.00 0.00 178.16 177.47 1r8d h ASP 23 N 0.00 0.26 -0.72 3.88 3.58 0.22 0.26 116.42 123.91 1r8d h ASP 23 Ca 0.01 -0.92 0.01 0.00 0.42 0.00 0.00 57.03 56.55 1r8d h ASP 23 Cb 0.09 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 1r8d h ASP 23 CO -0.00 1.16 0.47 0.78 -2.88 0.00 0.00 179.24 178.77 1r8d h ASN 24 N -0.60 0.80 0.52 2.28 2.35 0.25 -1.14 115.58 120.02 1r8d h ASN 24 Ca -0.07 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1r8d h ASN 24 Cb 1.27 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.45 1r8d h ASN 24 CO 0.08 0.57 0.00 -0.38 -1.65 0.00 0.00 177.43 176.05 1r8d n ILE 25 N -4.61 0.96 -1.40 2.81 5.41 -0.15 -4.84 119.36 117.53 1r8d n ILE 25 Ca 0.07 0.34 -0.05 0.00 1.00 0.00 0.00 62.75 64.11 1r8d n ILE 25 Cb 0.04 -1.27 -0.02 0.00 -0.71 0.00 0.00 39.64 37.68 1r8d n ILE 25 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1r8d n GLU 26 N -2.09 -0.37 -0.04 0.38 4.07 -0.43 -4.93 120.64 117.23 1r8d n GLU 26 Ca 0.02 0.57 -0.20 0.00 -0.06 0.00 0.00 57.16 57.48 1r8d n GLU 26 Cb 0.17 -4.30 -0.13 0.00 -0.06 0.00 0.00 31.44 27.12 1r8d n GLU 26 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1r8d h LEU 27 N 0.00 0.19 -7.24 4.31 5.85 -1.28 -3.44 115.31 113.70 1r8d h LEU 27 Ca -0.11 -0.79 -0.56 0.00 0.84 0.00 0.00 57.88 57.26 1r8d h LEU 27 Cb 0.54 -0.06 -0.40 0.00 0.37 0.00 0.00 40.66 41.11 1r8d h LEU 27 CO 0.15 1.43 -0.76 -0.22 -0.34 0.00 0.00 178.44 178.70 1r8d s LEU 28 N -7.81 1.75 -0.21 2.25 2.96 -0.10 -5.01 118.68 112.51 1r8d s LEU 28 Ca -0.22 -1.23 -0.08 0.00 -0.22 0.00 0.00 54.13 52.39 1r8d s LEU 28 Cb 0.03 -0.76 -0.04 0.00 0.50 0.00 0.00 46.19 45.92 1r8d s LEU 28 CO 0.70 -0.35 0.07 0.20 -1.32 0.00 0.00 176.35 175.65 1r8d s ASN 29 N 1.72 5.49 0.27 3.68 0.02 -1.26 -3.39 114.94 121.46 1r8d s ASN 29 Ca 0.03 -0.02 -0.30 0.00 -1.02 0.00 0.00 52.86 51.56 1r8d s ASN 29 Cb -0.17 -1.96 -0.14 0.00 0.02 0.00 0.00 41.25 39.00 1r8d s ASN 29 CO -0.16 0.09 1.20 -2.65 0.02 0.00 0.00 177.10 175.59 1r8d n PRO 30 N 4.10 1.68 0.20 -0.60 -0.02 -1.26 -4.85 135.00 134.24 1r8d n PRO 30 Ca -0.16 0.59 0.06 0.00 -2.02 0.00 0.00 63.50 61.97 1r8d n PRO 30 Cb 0.52 -2.10 0.54 0.00 -0.02 0.00 0.00 33.50 32.44 1r8d n PRO 30 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1r8d h SER 31 N 2.90 0.08 -5.06 2.55 4.64 -1.88 -3.45 113.55 113.33 1r8d h SER 31 Ca -0.43 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 60.77 1r8d h SER 31 Cb 1.31 -0.02 -0.18 0.00 -0.31 0.00 0.00 62.40 63.20 1r8d h SER 31 CO 0.66 0.14 -0.41 0.00 -0.87 0.00 0.00 176.83 176.36 1r8d s ALA 32 N -4.93 -0.35 0.07 5.18 0.00 -0.81 -5.04 121.76 115.89 1r8d s ALA 32 Ca -0.05 -0.28 0.09 0.00 0.00 0.00 0.00 51.96 51.73 1r8d s ALA 32 Cb 0.16 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 1r8d s ALA 32 CO 0.69 -0.34 -0.25 -0.51 0.00 0.00 0.00 175.76 175.35 1r8d s LEU 33 N -2.02 2.32 0.41 0.00 2.01 -1.26 -0.44 118.68 119.70 1r8d s LEU 33 Ca -0.06 -0.60 -0.04 0.00 0.01 0.00 0.00 54.13 53.44 1r8d s LEU 33 Cb -0.02 -1.33 -0.04 0.00 0.01 0.00 0.00 46.19 44.82 1r8d s LEU 33 CO -0.03 0.23 0.69 0.28 1.01 0.00 0.00 176.35 178.53 1r8d s THR 34 N -0.91 4.96 0.30 5.49 -1.32 0.38 -4.92 115.64 119.61 1r8d s THR 34 Ca 0.13 0.06 0.05 0.00 -1.21 0.00 0.00 61.69 60.72 1r8d s THR 34 Cb -0.10 -3.83 0.29 0.00 -1.51 0.00 0.00 72.50 67.35 1r8d s THR 34 CO 0.04 -0.66 1.78 0.44 -2.21 0.00 0.00 174.62 174.01 1r8d h ASP 35 N 0.69 0.77 -0.02 8.08 5.19 -2.00 0.69 116.42 129.82 1r8d h ASP 35 Ca -0.48 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 1r8d h ASP 35 Cb 1.20 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1r8d h ASP 35 CO 0.62 0.29 0.00 0.00 -3.12 0.00 0.00 179.24 177.04 1r8d n ALA 36 N -2.34 2.62 0.00 3.45 0.00 -1.26 -4.91 120.51 118.07 1r8d n ALA 36 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1r8d n ALA 36 Cb 0.54 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1r8d n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r8d n GLY 37 N 0.90 0.65 3.71 0.00 0.00 0.24 -5.04 105.19 105.65 1r8d n GLY 37 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1r8d n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1r8d n TYR 38 N -2.00 2.71 -3.27 1.61 4.02 -1.26 -4.52 117.16 114.46 1r8d n TYR 38 Ca 0.00 0.05 -0.36 0.00 -0.01 0.00 0.00 57.90 57.58 1r8d n TYR 38 Cb 0.00 -2.67 -0.06 0.00 -0.02 0.00 0.00 39.34 36.59 1r8d n TYR 38 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 1r8d s ARG 39 N 1.20 4.09 -0.16 -0.72 1.70 -1.26 -0.47 118.95 123.34 1r8d s ARG 39 Ca 0.76 0.64 0.01 0.00 -0.47 0.00 0.00 55.73 56.67 1r8d s ARG 39 Cb -0.52 -2.97 0.02 0.00 -0.57 0.00 0.00 34.95 30.91 1r8d s ARG 39 CO 0.33 0.48 -0.19 -0.51 -1.08 0.00 0.00 175.30 174.33 1r8d s LEU 40 N -1.82 1.98 -0.11 -1.89 1.43 0.42 -4.23 118.68 114.45 1r8d s LEU 40 Ca 0.38 -0.58 -0.10 0.00 -1.03 0.00 0.00 54.13 52.80 1r8d s LEU 40 Cb -0.16 -1.36 -0.05 0.00 0.03 0.00 0.00 46.19 44.65 1r8d s LEU 40 CO 0.20 0.01 0.21 -0.31 0.23 0.00 0.00 176.35 176.68 1r8d s TYR 41 N 1.20 3.58 0.63 0.29 1.51 0.13 -1.92 117.35 122.77 1r8d s TYR 41 Ca 0.01 0.60 -0.04 0.00 -1.01 0.00 0.00 57.07 56.63 1r8d s TYR 41 Cb -0.14 -2.09 0.04 0.00 -0.11 0.00 0.00 41.96 39.66 1r8d s TYR 41 CO -0.09 0.59 0.90 -1.54 -1.11 0.00 0.00 175.55 174.30 1r8d s SER 42 N -0.63 5.12 0.40 2.29 1.04 -1.26 -0.64 113.70 120.01 1r8d s SER 42 Ca 0.16 0.33 0.07 0.00 0.48 0.00 0.00 55.95 56.99 1r8d s SER 42 Cb -0.13 -1.13 0.84 0.00 0.10 0.00 0.00 66.02 65.70 1r8d s SER 42 CO 0.05 -1.34 2.03 0.44 0.98 0.00 0.00 173.24 175.40 1r8d h ASP 43 N -0.28 0.52 -0.38 7.02 3.32 -2.00 -0.13 116.42 124.49 1r8d h ASP 43 Ca -0.44 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 1r8d h ASP 43 Cb 1.30 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 1r8d h ASP 43 CO 0.58 0.36 0.22 0.00 -1.72 0.00 0.00 179.24 178.68 1r8d h ALA 44 N 1.70 0.49 -0.32 3.45 0.00 -1.94 -1.47 119.26 121.17 1r8d h ALA 44 Ca 0.20 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1r8d h ALA 44 Cb 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1r8d h ALA 44 CO -0.05 0.00 0.22 -0.44 0.00 0.00 0.00 179.25 178.98 1r8d h ASP 45 N 0.50 0.22 -0.42 0.00 3.32 -1.40 -1.36 116.42 117.28 1r8d h ASP 45 Ca 0.14 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.04 1r8d h ASP 45 Cb 0.03 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1r8d h ASP 45 CO -0.02 0.15 -0.32 -0.07 -1.72 0.00 0.00 179.24 177.26 1r8d h LEU 46 N 0.26 1.01 0.16 1.55 3.38 -0.61 -0.48 115.31 120.58 1r8d h LEU 46 Ca 0.14 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1r8d h LEU 46 Cb 0.23 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1r8d h LEU 46 CO -0.03 1.23 -0.08 -0.33 0.09 0.00 0.00 178.44 179.32 1r8d h GLU 47 N 0.80 -0.21 -0.81 1.13 5.08 -0.69 -1.25 114.58 118.63 1r8d h GLU 47 Ca 0.08 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.62 1r8d h GLU 47 Cb 0.90 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.10 1r8d h GLU 47 CO 0.08 -0.05 0.34 -0.09 -1.00 0.00 0.00 179.01 178.29 1r8d h ARG 48 N -0.33 0.43 -0.22 2.33 9.65 -1.18 0.27 114.38 125.33 1r8d h ARG 48 Ca -0.02 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.78 1r8d h ARG 48 Cb 0.26 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 1r8d h ARG 48 CO 0.04 0.28 -0.11 1.25 2.80 0.00 0.00 179.97 184.23 1r8d h LEU 49 N 0.44 0.33 0.04 3.80 5.85 -0.62 -0.54 115.31 124.61 1r8d h LEU 49 Ca 0.47 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 59.11 1r8d h LEU 49 Cb 0.77 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1r8d h LEU 49 CO -0.45 0.48 -0.02 1.56 -0.34 0.00 0.00 178.44 179.67 1r8d h GLN 50 N 0.33 -0.05 -0.34 1.25 1.08 0.64 -0.66 115.11 117.36 1r8d h GLN 50 Ca 0.07 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.34 1r8d h GLN 50 Cb 0.40 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.75 1r8d h GLN 50 CO 0.02 0.41 -0.40 1.96 -0.95 0.00 0.00 178.83 179.87 1r8d h GLN 51 N -0.52 -0.33 -0.58 1.46 7.50 -0.85 0.98 115.11 122.76 1r8d h GLN 51 Ca -0.01 0.02 0.11 0.00 0.50 0.00 0.00 58.65 59.28 1r8d h GLN 51 Cb 0.48 0.08 -0.11 0.00 0.05 0.00 0.00 27.48 27.97 1r8d h GLN 51 CO 0.01 -0.22 -0.20 0.82 -1.50 0.00 0.00 178.83 177.74 1r8d h ILE 52 N -0.34 0.34 0.00 2.54 2.04 -1.00 0.96 117.51 122.04 1r8d h ILE 52 Ca 0.13 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 1r8d h ILE 52 Cb 0.58 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1r8d h ILE 52 CO -0.53 0.00 -0.07 -0.07 0.00 0.00 0.00 178.15 177.48 1r8d h LEU 53 N -0.06 0.00 0.23 1.44 3.38 0.71 -1.04 115.31 119.97 1r8d h LEU 53 Ca 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1r8d h LEU 53 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1r8d h LEU 53 CO -0.62 0.07 -0.11 -0.26 0.09 0.00 0.00 178.44 177.61 1r8d h PHE 54 N 0.00 -0.28 -1.29 1.13 0.05 0.12 -1.93 116.94 114.74 1r8d h PHE 54 Ca -0.00 -0.01 0.38 0.00 3.82 0.00 0.00 57.97 62.16 1r8d h PHE 54 Cb 0.14 0.09 -0.09 0.00 2.00 0.00 0.00 35.95 38.09 1r8d h PHE 54 CO 0.00 -0.17 0.88 0.74 -0.18 0.00 0.00 178.31 179.58 1r8d h PHE 55 N -0.37 0.31 -0.20 -0.55 -1.00 -1.32 1.67 116.94 115.49 1r8d h PHE 55 Ca -0.03 0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.69 1r8d h PHE 55 Cb 0.23 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 1r8d h PHE 55 CO 0.12 -0.04 -0.17 -0.22 -1.61 0.00 0.00 178.31 176.39 1r8d h LYS 56 N 0.13 0.33 -0.22 1.51 3.64 -0.94 -2.16 116.57 118.86 1r8d h LYS 56 Ca 0.69 -0.10 -0.18 0.00 -1.27 0.00 0.00 60.65 59.79 1r8d h LYS 56 Cb 2.36 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 34.14 1r8d h LYS 56 CO -0.19 0.50 -0.60 0.93 -2.27 0.00 0.00 179.45 177.82 1r8d h GLU 57 N 0.31 0.72 0.00 1.90 5.08 0.33 -2.68 114.58 120.24 1r8d h GLU 57 Ca 0.06 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1r8d h GLU 57 Cb 0.49 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1r8d h GLU 57 CO 0.03 1.11 0.00 -0.89 -1.00 0.00 0.00 179.01 178.26 1r8d n ILE 58 N -3.97 1.20 0.00 3.13 5.41 -0.91 -4.87 119.36 119.37 1r8d n ILE 58 Ca -0.04 0.34 0.00 0.00 1.00 0.00 0.00 62.75 64.04 1r8d n ILE 58 Cb 0.65 -1.19 0.00 0.00 -0.71 0.00 0.00 39.64 38.39 1r8d n ILE 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1r8d n GLY 59 N -0.43 0.39 3.70 7.39 0.00 -1.01 -4.97 105.19 110.26 1r8d n GLY 59 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1r8d n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r8d s PHE 60 N -2.00 1.85 0.20 1.61 0.40 -0.85 -5.01 117.98 114.19 1r8d s PHE 60 Ca 0.00 1.70 0.04 0.00 -0.60 0.00 0.00 56.93 58.07 1r8d s PHE 60 Cb 0.00 -3.39 -0.03 0.00 0.51 0.00 0.00 43.02 40.11 1r8d s PHE 60 CO 0.00 -2.68 0.30 -0.98 0.70 0.00 0.00 175.22 172.55 1r8d s ARG 61 N -4.36 3.34 0.33 0.44 1.70 -1.26 -4.62 118.95 114.52 1r8d s ARG 61 Ca 0.70 -0.74 0.11 0.00 -0.47 0.00 0.00 55.73 55.33 1r8d s ARG 61 Cb -0.25 -2.87 1.00 0.00 -0.57 0.00 0.00 34.95 32.27 1r8d s ARG 61 CO 0.53 0.47 1.63 -0.07 -1.08 0.00 0.00 175.30 176.78 1r8d h LEU 62 N 1.68 0.24 0.11 -1.89 3.38 -1.98 0.14 115.31 116.99 1r8d h LEU 62 Ca -0.50 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1r8d h LEU 62 Cb 1.21 0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1r8d h LEU 62 CO 0.64 -0.22 -0.06 0.44 0.09 0.00 0.00 178.44 179.33 1r8d h ASP 63 N 0.20 -0.13 -0.21 -0.43 3.32 -1.98 0.46 116.42 117.64 1r8d h ASP 63 Ca 0.69 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.71 1r8d h ASP 63 Cb 1.59 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 41.16 1r8d h ASP 63 CO -0.69 -0.04 0.10 -0.33 -1.72 0.00 0.00 179.24 176.57 1r8d h GLU 64 N -0.21 0.21 -0.57 3.56 5.08 -1.23 0.11 114.58 121.53 1r8d h GLU 64 Ca -0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1r8d h GLU 64 Cb 0.17 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1r8d h GLU 64 CO 0.03 0.14 0.37 0.82 -1.00 0.00 0.00 179.01 179.36 1r8d h ILE 65 N 0.22 1.15 0.66 3.13 2.04 -0.72 -1.51 117.51 122.49 1r8d h ILE 65 Ca 0.09 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 1r8d h ILE 65 Cb 0.03 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1r8d h ILE 65 CO -0.07 0.15 -0.40 0.50 0.00 0.00 0.00 178.15 178.34 1r8d h LYS 66 N 0.77 -0.96 -0.13 2.37 3.64 0.35 -1.43 116.57 121.19 1r8d h LYS 66 Ca 0.21 0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.69 1r8d h LYS 66 Cb -0.07 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1r8d h LYS 66 CO -0.04 -0.64 0.29 0.93 -2.27 0.00 0.00 179.45 177.72 1r8d h GLU 67 N -1.00 0.00 0.08 1.90 5.08 -0.55 -0.61 114.58 119.49 1r8d h GLU 67 Ca -0.08 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.96 1r8d h GLU 67 Cb 0.80 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1r8d h GLU 67 CO 0.09 0.00 -1.67 0.52 -1.00 0.00 0.00 179.01 176.95 1r8d h MET 68 N 0.00 0.17 0.00 2.33 2.86 -0.66 -3.16 114.93 116.46 1r8d h MET 68 Ca 0.06 -0.28 -0.18 0.00 -2.06 0.00 0.00 59.70 57.24 1r8d h MET 68 Cb 0.65 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.39 1r8d h MET 68 CO -0.00 0.94 -0.92 -0.07 1.06 0.00 0.00 176.91 177.92 1r8d h LEU 69 N 0.05 0.00 -0.06 1.22 3.38 -0.29 -3.22 115.31 116.39 1r8d h LEU 69 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1r8d h LEU 69 Cb 2.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.76 1r8d h LEU 69 CO 0.12 0.81 -0.18 0.47 0.09 0.00 0.00 178.44 179.75 1r8d n ASP 70 N -3.26 0.26 -3.19 -0.43 8.00 -0.33 -4.44 116.55 113.17 1r8d n ASP 70 Ca -0.01 -0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.29 1r8d n ASP 70 Cb 0.88 -0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 41.74 1r8d n ASP 70 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1r8d n HIS 71 N -1.36 -1.87 0.33 1.24 -0.00 -1.19 -4.99 115.22 107.37 1r8d n HIS 71 Ca 0.09 -2.68 0.00 0.00 0.46 0.00 0.00 57.72 55.59 1r8d n HIS 71 Cb 0.32 0.66 0.01 0.00 -0.12 0.00 0.00 29.99 30.86 1r8d n HIS 71 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1r8d n PRO 72 N 2.86 0.17 0.05 1.57 -0.02 -1.24 -1.81 135.00 136.58 1r8d n PRO 72 Ca 0.26 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.85 1r8d n PRO 72 Cb 0.51 -1.03 -0.07 0.00 -0.02 0.00 0.00 33.50 32.88 1r8d n PRO 72 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1r8d n ASN 73 N -0.53 0.47 -4.60 2.55 3.02 -1.26 -4.86 115.26 110.05 1r8d n ASN 73 Ca 0.00 0.16 -0.43 0.00 -0.03 0.00 0.00 54.58 54.28 1r8d n ASN 73 Cb 0.00 1.15 -0.03 0.00 -0.61 0.00 0.00 39.78 40.29 1r8d n ASN 73 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1r8d s PHE 74 N -3.43 1.41 -0.37 3.10 5.36 -0.75 -4.85 117.98 118.45 1r8d s PHE 74 Ca -0.04 0.55 -0.37 0.00 -0.96 0.00 0.00 56.93 56.11 1r8d s PHE 74 Cb 0.12 -4.00 -0.13 0.00 -0.34 0.00 0.00 43.02 38.67 1r8d s PHE 74 CO 0.84 -3.70 2.18 -3.47 -1.46 0.00 0.00 175.22 169.61 1r8d n ASP 75 N 11.05 1.88 0.05 6.13 2.03 -1.26 -4.82 116.55 131.60 1r8d n ASP 75 Ca 0.27 0.46 -0.06 0.00 0.52 0.00 0.00 54.79 55.98 1r8d n ASP 75 Cb 0.45 -1.20 0.11 0.00 -0.72 0.00 0.00 41.12 39.77 1r8d n ASP 75 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1r8d h ARG 76 N 11.79 0.39 0.19 -0.67 3.08 -1.94 -3.21 114.38 124.01 1r8d h ARG 76 Ca -0.24 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 59.59 1r8d h ARG 76 Cb 1.34 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.37 1r8d h ARG 76 CO 1.03 0.82 -0.48 0.87 -1.07 0.00 0.00 179.97 181.15 1r8d h LYS 77 N 0.30 -0.73 -0.53 0.04 1.79 -2.00 0.11 116.57 115.55 1r8d h LYS 77 Ca 0.01 0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.54 1r8d h LYS 77 Cb 1.02 0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 31.81 1r8d h LYS 77 CO 0.09 -0.49 0.35 0.00 -1.08 0.00 0.00 179.45 178.33 1r8d h ALA 78 N -0.43 1.66 -0.19 3.86 0.00 -1.98 -1.81 119.26 120.38 1r8d h ALA 78 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1r8d h ALA 78 Cb 0.75 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1r8d h ALA 78 CO -0.23 0.30 0.09 0.00 0.00 0.00 0.00 179.25 179.41 1r8d h ALA 79 N 1.68 0.25 -0.10 0.00 0.00 -1.34 0.13 119.26 119.88 1r8d h ALA 79 Ca 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1r8d h ALA 79 Cb -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1r8d h ALA 79 CO -0.05 -0.18 -0.09 -0.07 0.00 0.00 0.00 179.25 178.86 1r8d h LEU 80 N 0.17 0.13 0.20 0.00 3.38 -0.17 -1.19 115.31 117.83 1r8d h LEU 80 Ca 0.07 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1r8d h LEU 80 Cb 0.13 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1r8d h LEU 80 CO -0.01 0.25 -0.09 1.56 0.09 0.00 0.00 178.44 180.24 1r8d h GLN 81 N 0.14 -0.25 -1.01 1.13 4.20 -0.87 -2.06 115.11 116.39 1r8d h GLN 81 Ca 0.03 0.02 0.27 0.00 0.06 0.00 0.00 58.65 59.03 1r8d h GLN 81 Cb 0.25 0.06 -0.13 0.00 0.30 0.00 0.00 27.48 27.96 1r8d h GLN 81 CO 0.01 -0.08 0.60 0.77 -0.67 0.00 0.00 178.83 179.46 1r8d h SER 82 N -1.05 0.62 -0.36 1.46 0.02 -0.72 1.17 113.55 114.69 1r8d h SER 82 Ca -0.03 0.15 -0.10 0.00 -0.84 0.00 0.00 61.79 60.97 1r8d h SER 82 Cb 0.29 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1r8d h SER 82 CO 0.04 0.04 -0.14 -0.61 -1.14 0.00 0.00 176.83 175.03 1r8d h GLN 83 N 0.51 0.82 0.03 3.45 5.75 -1.28 0.00 115.11 124.39 1r8d h GLN 83 Ca 0.67 -0.30 -0.00 0.00 -0.15 0.00 0.00 58.65 58.87 1r8d h GLN 83 Cb 1.36 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.85 1r8d h GLN 83 CO -0.50 0.92 -0.01 -0.22 -2.65 0.00 0.00 178.83 176.37 1r8d h LYS 84 N 0.74 -0.04 -0.61 1.69 3.64 0.19 -1.00 116.57 121.18 1r8d h LYS 84 Ca 0.12 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.57 1r8d h LYS 84 Cb 0.65 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.41 1r8d h LYS 84 CO 0.05 0.10 0.28 0.93 -2.27 0.00 0.00 179.45 178.54 1r8d h GLU 85 N -0.17 0.49 -0.82 1.90 5.08 0.01 0.03 114.58 121.10 1r8d h GLU 85 Ca -0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1r8d h GLU 85 Cb 0.16 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1r8d h GLU 85 CO 0.01 0.33 0.48 0.82 -1.00 0.00 0.00 179.01 179.64 1r8d h ILE 86 N 0.51 1.23 -0.49 3.13 2.04 -0.78 -1.22 117.51 121.93 1r8d h ILE 86 Ca 0.29 -0.53 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 1r8d h ILE 86 Cb 0.28 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 1r8d h ILE 86 CO -0.24 0.25 0.06 -0.07 0.00 0.00 0.00 178.15 178.15 1r8d h LEU 87 N 1.13 0.74 0.06 1.44 3.38 -0.20 -2.36 115.31 119.50 1r8d h LEU 87 Ca 0.29 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1r8d h LEU 87 Cb -0.02 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1r8d h LEU 87 CO -0.05 0.77 -0.03 0.24 0.09 0.00 0.00 178.44 179.46 1r8d h MET 88 N 0.74 -0.08 -0.99 1.13 2.86 -0.17 -1.75 114.93 116.68 1r8d h MET 88 Ca 0.16 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.92 1r8d h MET 88 Cb 0.37 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.96 1r8d h MET 88 CO 0.01 0.15 0.63 0.87 1.06 0.00 0.00 176.91 179.62 1r8d h LYS 89 N -0.30 0.95 -0.81 1.72 1.57 -1.12 0.65 116.57 119.23 1r8d h LYS 89 Ca -0.01 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1r8d h LYS 89 Cb 0.26 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1r8d h LYS 89 CO 0.01 0.63 0.41 0.87 -0.57 0.00 0.00 179.45 180.81 1r8d h LYS 90 N 0.98 1.14 -0.09 3.15 1.57 -1.17 -0.81 116.57 121.35 1r8d h LYS 90 Ca 0.48 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 59.13 1r8d h LYS 90 Cb 0.48 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1r8d h LYS 90 CO -0.25 0.86 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.24 1r8d h LYS 91 N 1.13 -0.02 -0.22 3.15 3.64 -0.03 -0.96 116.57 123.25 1r8d h LYS 91 Ca 0.28 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.71 1r8d h LYS 91 Cb 0.08 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 1r8d h LYS 91 CO -0.04 -0.02 -0.08 0.37 -2.27 0.00 0.00 179.45 177.42 1r8d h GLN 92 N -0.03 -0.03 -0.96 1.90 4.15 -0.55 0.78 115.11 120.37 1r8d h GLN 92 Ca 0.05 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.51 1r8d h GLN 92 Cb 0.10 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.74 1r8d h GLN 92 CO -0.11 -0.02 0.62 0.00 -1.93 0.00 0.00 178.83 177.39 1r8d h ARG 93 N -0.03 1.18 -0.60 1.69 3.08 -0.87 0.03 114.38 118.86 1r8d h ARG 93 Ca 0.11 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.13 1r8d h ARG 93 Cb 0.20 -0.27 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 1r8d h ARG 93 CO -0.25 0.78 0.34 0.52 -1.07 0.00 0.00 179.97 180.29 1r8d h MET 94 N 1.21 0.64 0.37 0.04 2.86 -0.09 -1.73 114.93 118.23 1r8d h MET 94 Ca 0.38 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.96 1r8d h MET 94 Cb -0.00 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.52 1r8d h MET 94 CO -0.12 0.43 -0.18 -0.44 1.06 0.00 0.00 176.91 177.66 1r8d h ASP 95 N 0.66 -0.42 -0.82 1.22 3.32 0.87 -1.16 116.42 120.09 1r8d h ASP 95 Ca 0.25 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.44 1r8d h ASP 95 Cb 0.09 0.11 -0.09 0.00 0.22 0.00 0.00 39.33 39.66 1r8d h ASP 95 CO -0.13 -0.28 0.40 -0.33 -1.72 0.00 0.00 179.24 177.17 1r8d h GLU 96 N -0.52 0.56 -0.54 3.56 5.08 -0.81 0.31 114.58 122.22 1r8d h GLU 96 Ca -0.05 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1r8d h GLU 96 Cb 0.39 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1r8d h GLU 96 CO 0.08 0.37 0.28 0.52 -1.00 0.00 0.00 179.01 179.27 1r8d h MET 97 N 0.58 0.75 -0.60 2.33 2.86 -1.07 0.39 114.93 120.17 1r8d h MET 97 Ca 0.44 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.94 1r8d h MET 97 Cb 0.63 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 1r8d h MET 97 CO -0.37 0.59 0.19 0.82 1.06 0.00 0.00 176.91 179.21 1r8d h ILE 98 N 0.72 1.24 -0.31 -1.22 2.04 0.18 -1.13 117.51 119.03 1r8d h ILE 98 Ca 0.19 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.26 1r8d h ILE 98 Cb 0.07 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1r8d h ILE 98 CO -0.03 0.31 0.14 -0.61 0.00 0.00 0.00 178.15 177.97 1r8d h GLN 99 N 0.85 0.30 -0.76 2.37 4.15 0.09 -0.55 115.11 121.55 1r8d h GLN 99 Ca 0.19 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.63 1r8d h GLN 99 Cb 0.28 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.86 1r8d h GLN 99 CO -0.01 0.20 0.50 1.15 -1.93 0.00 0.00 178.83 178.74 1r8d h THR 100 N 0.30 1.12 -0.07 2.39 2.02 -0.54 0.63 112.91 118.76 1r8d h THR 100 Ca 0.13 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1r8d h THR 100 Cb 0.06 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.57 1r8d h THR 100 CO -0.10 0.17 -0.01 0.40 0.37 0.00 0.00 175.52 176.35 1r8d h ILE 101 N 0.94 1.27 -0.61 3.11 2.04 -0.58 -2.51 117.51 121.16 1r8d h ILE 101 Ca 0.30 -0.84 0.03 0.00 1.00 0.00 0.00 64.86 65.35 1r8d h ILE 101 Cb 0.04 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 1r8d h ILE 101 CO -0.09 0.23 0.37 0.44 0.00 0.00 0.00 178.15 179.11 1r8d h ASP 102 N -0.18 0.59 0.10 1.72 3.32 -0.34 0.17 116.42 121.81 1r8d h ASP 102 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1r8d h ASP 102 Cb 0.37 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1r8d h ASP 102 CO 0.01 0.41 0.00 -1.14 -1.72 0.00 0.00 179.24 176.80 1r8d n ARG 103 N -4.74 0.09 -0.01 3.56 0.63 0.21 -1.63 116.66 114.77 1r8d n ARG 103 Ca 0.06 0.22 0.01 0.00 -0.92 0.00 0.00 57.85 57.21 1r8d n ARG 103 Cb 0.09 -1.50 -0.04 0.00 0.45 0.00 0.00 32.46 31.45 1r8d n ARG 103 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1r8d n THR 104 N -1.27 0.16 1.24 5.15 -1.04 0.25 -4.57 114.28 114.20 1r8d n THR 104 Ca 0.03 -0.17 0.09 0.00 -2.04 0.00 0.00 64.05 61.95 1r8d n THR 104 Cb 0.05 -0.16 0.51 0.00 -1.82 0.00 0.00 70.33 68.91 1r8d n THR 104 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1r8d n LEU 105 N -1.91 0.00 -3.95 -4.42 4.77 0.34 -4.47 117.00 107.35 1r8d n LEU 105 Ca -0.04 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.53 1r8d n LEU 105 Cb 0.38 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1r8d n LEU 105 CO 0.12 0.00 2.23 0.18 -1.33 0.00 0.00 177.39 178.59 1r8d n LEU 106 N -0.93 5.13 0.00 2.23 4.77 -1.24 -5.08 117.00 121.89 1r8d n LEU 106 Ca 0.13 -3.57 0.00 0.00 -0.03 0.00 0.00 56.01 52.54 1r8d n LEU 106 Cb 0.06 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.65 1r8d n LEU 106 CO 0.10 0.08 0.00 -1.54 -1.33 0.00 0.00 177.39 174.70