#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1s n SER 2 N 0.00 4.96 0.07 7.83 7.64 -1.26 -3.90 113.62 128.97 1i1s n SER 2 Ca 0.00 -2.64 -0.13 0.00 1.01 0.00 0.00 58.87 57.11 1i1s n SER 2 Cb 0.00 -1.41 -0.09 0.00 -1.01 0.00 0.00 64.21 61.71 1i1s n SER 2 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1i1s h LYS 3 N 6.25 -0.19 -0.91 1.43 3.64 -1.99 -3.43 116.57 121.36 1i1s h LYS 3 Ca 0.60 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 60.02 1i1s h LYS 3 Cb 0.47 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.28 1i1s h LYS 3 CO 1.80 0.16 0.60 -0.39 -2.27 0.00 0.00 179.45 179.35 1i1s h VAL 4 N -0.56 1.17 -0.88 2.00 -1.51 -1.93 0.22 116.25 114.75 1i1s h VAL 4 Ca -0.02 -0.40 0.04 0.00 -1.23 0.00 0.00 66.70 65.09 1i1s h VAL 4 Cb 0.44 -0.09 -0.05 0.00 -2.13 0.00 0.00 31.29 29.45 1i1s h VAL 4 CO 0.03 0.21 0.58 0.00 -1.23 0.00 0.00 177.57 177.16 1i1s h THR 5 N 1.16 1.14 -0.82 7.19 1.03 -1.87 0.46 112.91 121.20 1i1s h THR 5 Ca 0.36 -0.38 0.03 0.00 -0.01 0.00 0.00 66.41 66.42 1i1s h THR 5 Cb -0.01 -0.05 -0.05 0.00 -1.07 0.00 0.00 68.15 66.98 1i1s h THR 5 CO -0.10 0.20 0.54 1.88 -0.01 0.00 0.00 175.52 178.03 1i1s h TYR 6 N 1.09 0.98 -0.55 0.00 0.05 -0.84 0.15 116.97 117.85 1i1s h TYR 6 Ca 0.35 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.16 1i1s h TYR 6 Cb 0.03 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.42 1i1s h TYR 6 CO -0.00 0.57 0.35 0.82 -1.05 0.00 0.00 178.16 178.85 1i1s h ILE 7 N 1.02 1.15 -0.21 -2.88 1.08 0.16 0.43 117.51 118.26 1i1s h ILE 7 Ca 0.33 -0.31 0.04 0.00 -0.39 0.00 0.00 64.86 64.52 1i1s h ILE 7 Cb 0.04 0.38 -0.04 0.00 -3.07 0.00 0.00 36.82 34.13 1i1s h ILE 7 CO -0.10 0.15 -0.05 0.40 -0.69 0.00 0.00 178.15 177.87 1i1s h ILE 8 N 0.74 0.79 -0.16 -0.67 2.04 -0.27 0.16 117.51 120.14 1i1s h ILE 8 Ca 0.20 -0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.10 1i1s h ILE 8 Cb -0.05 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1i1s h ILE 8 CO -0.04 0.00 -0.12 0.50 0.00 0.00 0.00 178.15 178.49 1i1s h LYS 9 N 0.00 -0.13 -0.17 2.37 1.63 -0.14 0.14 116.57 120.28 1i1s h LYS 9 Ca 0.10 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.85 1i1s h LYS 9 Cb 0.15 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1i1s h LYS 9 CO -0.21 -0.08 -0.12 0.00 -3.45 0.00 0.00 179.45 175.58 1i1s h ALA 10 N 0.98 0.24 -0.66 5.00 0.00 0.03 -2.48 119.26 122.38 1i1s h ALA 10 Ca 0.10 -0.31 0.14 0.00 0.00 0.00 0.00 54.91 54.84 1i1s h ALA 10 Cb 0.27 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.91 1i1s h ALA 10 CO -0.23 0.10 0.12 1.03 0.00 0.00 0.00 179.25 180.26 1i1s h SER 11 N 0.04 -0.06 0.00 0.00 0.87 -0.94 -3.47 113.55 109.99 1i1s h SER 11 Ca 0.03 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1i1s h SER 11 Cb 0.63 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1i1s h SER 11 CO 0.03 -0.04 0.00 -3.20 -0.53 0.00 0.00 176.83 173.09 1i1s n ASN 12 N -5.18 0.00 -3.79 6.23 2.85 -0.34 -4.75 115.26 110.27 1i1s n ASN 12 Ca 0.11 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.35 1i1s n ASN 12 Cb 0.39 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.42 1i1s n ASN 12 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1i1s n ASP 13 N 0.00 -0.99 -0.05 1.20 2.03 0.36 -4.92 116.55 114.18 1i1s n ASP 13 Ca 0.00 -0.90 -0.04 0.00 0.52 0.00 0.00 54.79 54.37 1i1s n ASP 13 Cb 0.00 -3.65 -0.01 0.00 -0.72 0.00 0.00 41.12 36.73 1i1s n ASP 13 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1i1s n VAL 14 N -4.31 0.83 -0.83 5.18 0.31 -1.26 -5.07 118.33 113.19 1i1s n VAL 14 Ca -0.30 0.31 -0.29 0.00 -0.01 0.00 0.00 64.34 64.06 1i1s n VAL 14 Cb 0.68 -1.99 0.20 0.00 -0.91 0.00 0.00 33.84 31.82 1i1s n VAL 14 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1i1s s LEU 15 N -6.64 1.51 0.00 7.52 2.01 -1.26 -5.07 118.68 116.75 1i1s s LEU 15 Ca -0.14 1.52 0.00 0.00 0.01 0.00 0.00 54.13 55.52 1i1s s LEU 15 Cb 0.02 -3.64 0.00 0.00 0.01 0.00 0.00 46.19 42.58 1i1s s LEU 15 CO 0.20 -3.55 0.00 0.59 1.01 0.00 0.00 176.35 174.60 1i1s n ASN 16 N -4.48 0.00 -0.10 2.29 4.13 -1.26 -4.83 115.26 111.00 1i1s n ASN 16 Ca 0.05 -0.34 -0.06 0.00 1.68 0.00 0.00 54.58 55.91 1i1s n ASN 16 Cb 0.55 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.79 1i1s n ASN 16 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1i1s h GLU 17 N 0.00 -0.13 -0.05 3.52 5.08 -1.98 -2.92 114.58 118.11 1i1s h GLU 17 Ca 0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i1s h GLU 17 Cb 0.00 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1i1s h GLU 17 CO 0.00 -0.09 0.01 0.87 -1.00 0.00 0.00 179.01 178.81 1i1s h LYS 18 N -0.13 0.07 -0.07 2.33 1.57 -1.98 0.71 116.57 119.07 1i1s h LYS 18 Ca 0.18 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.81 1i1s h LYS 18 Cb 0.42 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1i1s h LYS 18 CO -0.45 0.25 -0.58 1.79 -0.57 0.00 0.00 179.45 179.89 1i1s h THR 19 N -0.12 1.38 -0.34 -0.16 1.35 -1.92 -2.65 112.91 110.46 1i1s h THR 19 Ca 0.02 -1.94 -0.01 0.00 -0.55 0.00 0.00 66.41 63.93 1i1s h THR 19 Cb 0.21 1.98 -0.02 0.00 -1.73 0.00 0.00 68.15 68.59 1i1s h THR 19 CO -0.00 0.57 0.18 0.00 -0.25 0.00 0.00 175.52 176.02 1i1s h ALA 20 N 1.22 0.43 -0.51 6.62 0.00 -1.19 0.15 119.26 125.99 1i1s h ALA 20 Ca -0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1i1s h ALA 20 Cb 1.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1i1s h ALA 20 CO 0.09 -0.04 -0.06 0.00 0.00 0.00 0.00 179.25 179.24 1i1s h THR 21 N 0.42 1.26 0.08 0.00 1.03 -0.89 -0.69 112.91 114.12 1i1s h THR 21 Ca 0.12 -1.15 -0.00 0.00 -0.01 0.00 0.00 66.41 65.36 1i1s h THR 21 Cb 0.07 0.93 0.00 0.00 -1.07 0.00 0.00 68.15 68.08 1i1s h THR 21 CO -0.02 0.41 -0.04 0.40 -0.01 0.00 0.00 175.52 176.26 1i1s h ILE 22 N 0.82 1.13 -0.96 0.00 1.08 -1.23 0.14 117.51 118.49 1i1s h ILE 22 Ca 0.14 -0.79 0.17 0.00 -0.39 0.00 0.00 64.86 63.99 1i1s h ILE 22 Cb 0.57 1.63 -0.10 0.00 -3.07 0.00 0.00 36.82 35.85 1i1s h ILE 22 CO 0.03 0.19 0.56 0.25 -0.69 0.00 0.00 178.15 178.50 1i1s h LEU 23 N -0.47 0.73 -0.32 1.44 5.85 -0.74 -2.07 115.31 119.73 1i1s h LEU 23 Ca -0.01 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1i1s h LEU 23 Cb 0.40 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1i1s h LEU 23 CO 0.02 0.28 0.01 0.40 -0.34 0.00 0.00 178.44 178.81 1i1s h ILE 24 N 0.75 1.25 -0.17 4.05 1.08 -0.67 0.45 117.51 124.26 1i1s h ILE 24 Ca 0.54 -0.93 0.00 0.00 -0.39 0.00 0.00 64.86 64.08 1i1s h ILE 24 Cb 0.79 1.24 -0.01 0.00 -3.07 0.00 0.00 36.82 35.76 1i1s h ILE 24 CO -0.37 0.30 0.10 0.74 -0.69 0.00 0.00 178.15 178.24 1i1s h THR 25 N 0.36 1.03 -0.06 -0.27 2.02 -0.25 0.20 112.91 115.93 1i1s h THR 25 Ca 0.09 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.21 1i1s h THR 25 Cb 0.43 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1i1s h THR 25 CO 0.01 0.04 -0.01 0.40 0.37 0.00 0.00 175.52 176.33 1i1s h ILE 26 N 0.21 0.94 -0.55 3.11 2.04 -1.39 -3.01 117.51 118.86 1i1s h ILE 26 Ca 0.06 -0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.02 1i1s h ILE 26 Cb -0.01 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 36.93 1i1s h ILE 26 CO -0.03 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.24 1i1s h ALA 27 N 1.06 0.63 0.44 1.87 0.00 0.59 -2.21 119.26 121.64 1i1s h ALA 27 Ca 0.03 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1i1s h ALA 27 Cb 0.04 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1i1s h ALA 27 CO -0.06 -0.30 -0.43 -0.22 0.00 0.00 0.00 179.25 178.23 1i1s h LYS 28 N 0.25 -0.86 -5.40 0.00 1.63 -0.65 -3.42 116.57 108.13 1i1s h LYS 28 Ca 0.28 0.06 -0.60 0.00 -0.85 0.00 0.00 60.65 59.54 1i1s h LYS 28 Cb 0.40 0.19 -0.12 0.00 -0.60 0.00 0.00 32.23 32.10 1i1s h LYS 28 CO -0.36 -0.57 -0.20 0.21 -3.45 0.00 0.00 179.45 175.07 1i1s s LYS 29 N -5.94 4.16 -0.35 1.90 2.20 -0.83 -5.03 119.74 115.85 1i1s s LYS 29 Ca -0.17 0.18 -0.22 0.00 -0.36 0.00 0.00 55.97 55.40 1i1s s LYS 29 Cb 0.05 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 1i1s s LYS 29 CO 0.62 -0.06 0.74 -0.51 -0.36 0.00 0.00 175.35 175.77 1i1s s ASP 30 N 1.09 6.54 -1.11 1.43 1.01 -1.26 -3.18 116.67 121.19 1i1s s ASP 30 Ca 0.19 0.36 -0.06 0.00 0.71 0.00 0.00 52.55 53.74 1i1s s ASP 30 Cb -0.15 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 1i1s s ASP 30 CO 0.08 -0.66 0.90 0.49 0.21 0.00 0.00 175.17 176.19 1i1s n PHE 31 N 6.25 -2.29 0.00 4.23 3.01 -1.24 -5.05 117.46 122.37 1i1s n PHE 31 Ca 0.02 0.82 0.00 0.00 1.01 0.00 0.00 57.45 59.29 1i1s n PHE 31 Cb 0.48 -4.24 0.00 0.00 -0.01 0.00 0.00 39.48 35.71 1i1s n PHE 31 CO 0.00 0.00 0.00 1.51 1.01 0.00 0.00 176.76 179.28 1i1s n ILE 32 N -3.63 0.00 -4.07 4.37 3.06 -1.19 -4.82 119.36 113.08 1i1s n ILE 32 Ca -0.14 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 59.99 1i1s n ILE 32 Cb 0.63 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.77 1i1s n ILE 32 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1i1s n THR 33 N -0.48 0.00 -0.30 9.51 -2.24 -1.26 -3.87 114.28 115.65 1i1s n THR 33 Ca 0.00 -1.51 0.08 0.00 -2.27 0.00 0.00 64.05 60.35 1i1s n THR 33 Cb 0.00 0.82 0.23 0.00 -2.10 0.00 0.00 70.33 69.28 1i1s n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i1s h ALA 34 N 1.79 1.29 -0.30 6.98 0.00 -1.94 -2.48 119.26 124.60 1i1s h ALA 34 Ca -0.18 0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1i1s h ALA 34 Cb 0.84 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 1i1s h ALA 34 CO 0.25 -0.11 -0.07 0.00 0.00 0.00 0.00 179.25 179.32 1i1s h ALA 35 N 1.57 0.20 -0.75 0.00 0.00 -1.99 0.15 119.26 118.44 1i1s h ALA 35 Ca 0.47 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.48 1i1s h ALA 35 Cb 0.68 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1i1s h ALA 35 CO -0.37 -0.46 0.39 1.49 0.00 0.00 0.00 179.25 180.29 1i1s h GLU 36 N 0.01 1.06 -0.87 0.00 4.81 -1.91 0.23 114.58 117.91 1i1s h GLU 36 Ca 0.15 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1i1s h GLU 36 Cb 0.22 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 1i1s h GLU 36 CO -0.31 0.81 0.57 0.28 -0.73 0.00 0.00 179.01 179.63 1i1s h VAL 37 N 1.04 1.21 -0.78 0.32 2.07 -0.81 0.45 116.25 119.75 1i1s h VAL 37 Ca 0.26 -0.40 0.10 0.00 0.82 0.00 0.00 66.70 67.48 1i1s h VAL 37 Cb 0.07 -0.06 -0.08 0.00 -1.52 0.00 0.00 31.29 29.71 1i1s h VAL 37 CO -0.04 0.21 0.41 0.03 0.02 0.00 0.00 177.57 178.21 1i1s h ARG 38 N 1.16 0.66 -0.27 1.57 3.08 -0.32 -2.97 114.38 117.28 1i1s h ARG 38 Ca 0.33 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 60.17 1i1s h ARG 38 Cb -0.11 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.79 1i1s h ARG 38 CO -0.08 0.44 -0.46 0.93 -1.07 0.00 0.00 179.97 179.72 1i1s h GLU 39 N 0.68 0.80 0.00 0.04 4.39 0.15 -3.16 114.58 117.48 1i1s h GLU 39 Ca 0.38 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1i1s h GLU 39 Cb 0.41 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1i1s h GLU 39 CO -0.27 1.12 0.00 -0.24 -1.16 0.00 0.00 179.01 178.46 1i1s h VAL 40 N 0.55 0.00 -2.75 3.13 3.04 -0.28 -3.41 116.25 116.53 1i1s h VAL 40 Ca 0.02 -0.51 -0.54 0.00 -1.01 0.00 0.00 66.70 64.66 1i1s h VAL 40 Cb 1.07 1.46 0.01 0.00 -2.01 0.00 0.00 31.29 31.81 1i1s h VAL 40 CO 0.11 0.00 0.96 -1.38 -1.01 0.00 0.00 177.57 176.24 1i1s s HIS 41 N -3.19 2.49 0.02 3.17 -3.43 -1.12 -4.84 115.29 108.40 1i1s s HIS 41 Ca 0.08 0.48 -0.19 0.00 -0.80 0.00 0.00 55.06 54.64 1i1s s HIS 41 Cb 0.11 -3.84 -0.10 0.00 -1.43 0.00 0.00 32.58 27.31 1i1s s HIS 41 CO 0.57 -3.33 1.11 -1.00 -2.00 0.00 0.00 174.74 170.08 1i1s h PRO 42 N 8.38 -0.64 -1.07 -0.38 0.13 -1.87 -3.45 132.00 133.08 1i1s h PRO 42 Ca -0.40 0.04 -0.42 0.00 -0.87 0.00 0.00 66.00 64.35 1i1s h PRO 42 Cb 1.19 0.15 -0.41 0.00 0.13 0.00 0.00 31.00 32.06 1i1s h PRO 42 CO 0.93 -0.43 -1.04 -0.40 -0.23 0.00 0.00 178.00 176.83 1i1s n ASP 43 N -4.07 2.57 0.00 1.44 5.75 -1.26 -4.66 116.55 116.31 1i1s n ASP 43 Ca -0.08 -2.98 0.00 0.00 -0.01 0.00 0.00 54.79 51.72 1i1s n ASP 43 Cb 0.26 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 1i1s n ASP 43 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1i1s n LEU 44 N -0.27 0.17 0.00 -2.12 4.32 -1.26 -5.10 117.00 112.74 1i1s n LEU 44 Ca 0.19 0.06 0.00 0.00 -0.02 0.00 0.00 56.01 56.24 1i1s n LEU 44 Cb 0.78 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 42.24 1i1s n LEU 44 CO 0.27 -0.34 0.00 0.61 -1.22 0.00 0.00 177.39 176.71 1i1s n GLY 45 N 1.88 5.21 0.06 -0.72 0.00 -1.26 -4.64 105.19 105.71 1i1s n GLY 45 Ca 0.00 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 1i1s n GLY 45 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1i1s h ASN 46 N 0.00 -0.01 -0.66 1.61 -0.00 -1.94 -3.47 115.58 111.11 1i1s h ASN 46 Ca 0.00 -0.33 0.05 0.00 -0.00 0.00 0.00 56.30 56.02 1i1s h ASN 46 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 38.27 1i1s h ASN 46 CO 0.00 0.32 0.38 0.00 -0.00 0.00 0.00 177.43 178.13 1i1s h ALA 47 N 0.63 0.87 -0.73 1.57 0.00 -2.02 0.54 119.26 120.12 1i1s h ALA 47 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i1s h ALA 47 Cb 0.34 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1i1s h ALA 47 CO 0.00 0.08 0.44 -0.39 0.00 0.00 0.00 179.25 179.38 1i1s h VAL 48 N 0.71 1.21 -0.66 0.00 -1.51 -1.91 -2.96 116.25 111.13 1i1s h VAL 48 Ca 0.28 -0.45 0.02 0.00 -1.23 0.00 0.00 66.70 65.32 1i1s h VAL 48 Cb 0.13 0.19 -0.04 0.00 -2.13 0.00 0.00 31.29 29.44 1i1s h VAL 48 CO -0.16 0.22 0.42 0.58 -1.23 0.00 0.00 177.57 177.40 1i1s h VAL 49 N 1.00 1.10 -0.50 7.19 2.07 -0.22 0.58 116.25 127.47 1i1s h VAL 49 Ca 0.26 -0.28 0.08 0.00 0.82 0.00 0.00 66.70 67.58 1i1s h VAL 49 Cb -0.04 0.20 -0.07 0.00 -1.52 0.00 0.00 31.29 29.87 1i1s h VAL 49 CO -0.05 0.15 0.12 -1.13 0.02 0.00 0.00 177.57 176.69 1i1s h ASN 50 N 0.83 0.06 -0.58 0.57 -0.73 -1.43 -2.24 115.58 112.05 1i1s h ASN 50 Ca 0.26 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.48 1i1s h ASN 50 Cb -0.00 0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.66 1i1s h ASN 50 CO -0.10 0.06 0.25 -1.28 -0.37 0.00 0.00 177.43 175.99 1i1s h SER 51 N 0.27 0.79 -0.39 1.15 0.87 -0.35 -2.88 113.55 113.01 1i1s h SER 51 Ca 0.25 -0.16 -0.13 0.00 -1.23 0.00 0.00 61.79 60.52 1i1s h SER 51 Cb 0.32 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1i1s h SER 51 CO -0.30 0.73 -0.24 0.78 -0.53 0.00 0.00 176.83 177.26 1i1s h ASN 52 N 0.79 0.92 -0.07 6.23 2.35 0.27 0.45 115.58 126.54 1i1s h ASN 52 Ca 0.19 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1i1s h ASN 52 Cb 0.18 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1i1s h ASN 52 CO -0.02 1.12 0.01 0.40 -1.65 0.00 0.00 177.43 177.29 1i1s h ILE 53 N 0.77 1.20 -0.70 2.81 2.04 -1.47 -2.14 117.51 120.02 1i1s h ILE 53 Ca 0.10 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.38 1i1s h ILE 53 Cb 0.80 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 1i1s h ILE 53 CO 0.07 0.17 0.44 1.23 0.00 0.00 0.00 178.15 180.06 1i1s h GLY 54 N -0.12 1.01 1.48 5.37 0.00 -1.25 -0.18 103.07 109.38 1i1s h GLY 54 Ca 0.02 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 1i1s h GLY 54 CO 0.00 0.29 -0.28 -0.24 0.00 0.00 0.00 176.54 176.31 1i1s h VAL 55 N 0.87 1.28 -0.45 4.60 3.04 -0.10 0.57 116.25 126.06 1i1s h VAL 55 Ca 0.28 -1.37 0.07 0.00 -1.01 0.00 0.00 66.70 64.67 1i1s h VAL 55 Cb 0.00 1.36 -0.06 0.00 -2.01 0.00 0.00 31.29 30.58 1i1s h VAL 55 CO -0.10 0.44 0.12 -0.07 -1.01 0.00 0.00 177.57 176.94 1i1s h LEU 56 N 0.51 0.06 -0.68 3.16 4.07 -1.20 -2.73 115.31 118.50 1i1s h LEU 56 Ca 0.07 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 1i1s h LEU 56 Cb 0.75 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.54 1i1s h LEU 56 CO 0.06 0.07 0.34 0.40 -1.08 0.00 0.00 178.44 178.23 1i1s h ILE 57 N 0.26 1.22 0.00 1.22 1.08 0.12 0.64 117.51 122.05 1i1s h ILE 57 Ca 0.22 -0.61 -0.02 0.00 -0.39 0.00 0.00 64.86 64.06 1i1s h ILE 57 Cb 0.26 0.37 -0.00 0.00 -3.07 0.00 0.00 36.82 34.38 1i1s h ILE 57 CO -0.26 0.26 -0.10 0.07 -0.69 0.00 0.00 178.15 177.42 1i1s h LYS 58 N 0.94 0.00 -0.00 2.37 5.09 0.03 -0.89 116.57 124.11 1i1s h LYS 58 Ca 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.97 1i1s h LYS 58 Cb 0.09 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.42 1i1s h LYS 58 CO -0.03 0.10 -0.01 0.87 -2.09 0.00 0.00 179.45 178.28 1i1s h LYS 59 N 0.00 0.01 -4.15 0.07 1.57 -1.15 -3.49 116.57 109.43 1i1s h LYS 59 Ca -0.00 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1i1s h LYS 59 Cb 0.63 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.87 1i1s h LYS 59 CO 0.01 0.69 -0.92 0.41 -0.57 0.00 0.00 179.45 179.07 1i1s n GLY 60 N 0.75 -4.29 3.11 3.86 0.00 0.30 -5.05 105.19 103.87 1i1s n GLY 60 Ca -0.09 0.87 0.01 0.00 0.00 0.00 0.00 46.02 46.81 1i1s n GLY 60 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1i1s s LEU 61 N -0.42 -1.44 -0.00 0.99 2.34 0.20 -4.95 118.68 115.39 1i1s s LEU 61 Ca -0.16 -0.13 -0.12 0.00 0.06 0.00 0.00 54.13 53.77 1i1s s LEU 61 Cb 0.01 1.84 0.02 0.00 -0.56 0.00 0.00 46.19 47.50 1i1s s LEU 61 CO 0.46 -0.28 0.25 0.54 -1.06 0.00 0.00 176.35 176.26 1i1s s VAL 62 N 2.56 0.07 -0.24 1.48 0.11 -1.16 -4.61 120.40 118.61 1i1s s VAL 62 Ca 0.11 -0.57 -0.08 0.00 -2.93 0.00 0.00 61.98 58.51 1i1s s VAL 62 Cb -0.09 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.13 1i1s s VAL 62 CO -0.22 -0.32 0.08 -1.61 -3.33 0.00 0.00 175.10 169.70 1i1s s GLU 63 N -1.47 3.74 -0.36 1.54 2.02 0.15 -4.14 118.70 120.19 1i1s s GLU 63 Ca -0.13 -0.44 -0.28 0.00 0.02 0.00 0.00 54.97 54.14 1i1s s GLU 63 Cb -0.06 -3.33 0.02 0.00 0.10 0.00 0.00 34.13 30.86 1i1s s GLU 63 CO 0.03 -0.10 1.05 0.21 0.02 0.00 0.00 175.26 176.47 1i1s s LYS 64 N 1.39 3.95 -0.32 1.61 2.36 -1.26 -0.16 119.74 127.30 1i1s s LYS 64 Ca 0.05 0.86 -0.00 0.00 -2.55 0.00 0.00 55.97 54.33 1i1s s LYS 64 Cb -0.15 -3.79 0.07 0.00 -1.05 0.00 0.00 37.83 32.92 1i1s s LYS 64 CO 0.04 -1.01 0.03 0.45 1.55 0.00 0.00 175.35 176.41 1i1s s SER 65 N 1.87 4.87 -0.85 1.43 0.15 0.13 -4.94 113.70 116.36 1i1s s SER 65 Ca 0.44 -1.56 -0.11 0.00 0.70 0.00 0.00 55.95 55.42 1i1s s SER 65 Cb -0.11 -1.69 0.22 0.00 -1.71 0.00 0.00 66.02 62.73 1i1s s SER 65 CO 0.19 -0.32 0.78 -0.83 1.20 0.00 0.00 173.24 174.27 1i1s s GLY 66 N 1.29 2.75 -0.42 9.45 0.00 -1.26 -0.42 107.32 118.71 1i1s s GLY 66 Ca -0.01 -3.42 0.09 0.00 0.00 0.00 0.00 44.72 41.38 1i1s s GLY 66 CO -0.03 1.25 0.90 1.22 0.00 0.00 0.00 173.10 176.43 1i1s n ASP 67 N 3.65 -0.85 -3.32 1.64 8.00 -1.26 -5.15 116.55 119.27 1i1s n ASP 67 Ca 0.15 -3.32 -0.13 0.00 0.71 0.00 0.00 54.79 52.20 1i1s n ASP 67 Cb 0.44 0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 42.17 1i1s n ASP 67 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1i1s s GLY 68 N -1.80 1.20 -0.10 0.44 0.00 0.44 -4.73 107.32 102.78 1i1s s GLY 68 Ca 0.31 -1.32 -0.06 0.00 0.00 0.00 0.00 44.72 43.65 1i1s s GLY 68 CO -0.08 -0.86 0.14 1.08 0.00 0.00 0.00 173.10 173.39 1i1s s LEU 69 N -3.18 4.36 -0.04 0.66 1.43 -1.26 0.18 118.68 120.83 1i1s s LEU 69 Ca 0.27 0.44 -0.22 0.00 -1.03 0.00 0.00 54.13 53.59 1i1s s LEU 69 Cb -0.01 -2.15 0.04 0.00 0.03 0.00 0.00 46.19 44.10 1i1s s LEU 69 CO 0.17 0.38 0.48 0.27 0.23 0.00 0.00 176.35 177.88 1i1s s ILE 70 N -1.08 0.03 0.17 -0.59 -4.36 0.77 -3.63 121.20 112.52 1i1s s ILE 70 Ca 0.17 -0.25 -0.03 0.00 -0.26 0.00 0.00 60.65 60.28 1i1s s ILE 70 Cb -0.12 -0.78 -0.05 0.00 1.25 0.00 0.00 42.46 42.76 1i1s s ILE 70 CO 0.06 -0.14 0.40 0.27 0.24 0.00 0.00 174.94 175.78 1i1s s ILE 71 N -1.17 5.17 0.72 8.37 -4.36 -1.26 0.32 121.20 128.98 1i1s s ILE 71 Ca -0.12 -0.09 -0.11 0.00 -0.26 0.00 0.00 60.65 60.06 1i1s s ILE 71 Cb -0.03 -3.67 0.02 0.00 1.25 0.00 0.00 42.46 40.04 1i1s s ILE 71 CO 0.06 -0.06 1.10 0.42 0.24 0.00 0.00 174.94 176.70 1i1s s THR 72 N -1.76 3.41 0.59 8.37 -4.23 -1.26 -4.73 115.64 116.02 1i1s s THR 72 Ca 0.40 0.46 0.29 0.00 -1.18 0.00 0.00 61.69 61.66 1i1s s THR 72 Cb -0.12 -3.42 0.38 0.00 1.34 0.00 0.00 72.50 70.68 1i1s s THR 72 CO 0.27 -0.60 1.93 1.23 -0.54 0.00 0.00 174.62 176.91 1i1s h GLY 73 N -0.72 0.00 0.69 3.99 0.00 -1.99 0.67 103.07 105.71 1i1s h GLY 73 Ca -0.45 0.00 0.03 0.00 0.00 0.00 0.00 47.33 46.90 1i1s h GLY 73 CO 0.63 0.00 -0.08 0.83 0.00 0.00 0.00 176.54 177.92 1i1s h GLU 74 N 0.00 -0.10 -0.33 4.80 5.08 -1.96 -1.99 114.58 120.08 1i1s h GLU 74 Ca 0.19 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1i1s h GLU 74 Cb 1.06 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 1i1s h GLU 74 CO -0.00 -0.06 0.12 0.00 -1.00 0.00 0.00 179.01 178.07 1i1s h ALA 75 N 0.96 0.38 -0.82 3.43 0.00 -1.22 -2.65 119.26 119.35 1i1s h ALA 75 Ca 0.06 0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.15 1i1s h ALA 75 Cb 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1i1s h ALA 75 CO -0.14 -0.27 0.54 1.96 0.00 0.00 0.00 179.25 181.34 1i1s h GLN 76 N 0.27 0.54 -0.28 0.00 4.20 -0.90 0.61 115.11 119.55 1i1s h GLN 76 Ca 0.15 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 1i1s h GLN 76 Cb 0.11 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1i1s h GLN 76 CO -0.14 0.36 -0.05 0.22 -0.67 0.00 0.00 178.83 178.55 1i1s h ASP 77 N 0.56 0.52 -0.24 1.46 3.58 -1.19 -2.54 116.42 118.57 1i1s h ASP 77 Ca 0.41 -0.35 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 1i1s h ASP 77 Cb 0.78 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 1i1s h ASP 77 CO -0.16 0.75 0.10 0.40 -2.88 0.00 0.00 179.24 177.45 1i1s h ILE 78 N 0.28 1.16 -0.30 2.25 1.08 0.33 -1.70 117.51 120.62 1i1s h ILE 78 Ca 0.07 -0.46 -0.02 0.00 -0.39 0.00 0.00 64.86 64.06 1i1s h ILE 78 Cb 0.51 1.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 1i1s h ILE 78 CO 0.02 0.16 0.10 0.40 -0.69 0.00 0.00 178.15 178.14 1i1s h ILE 79 N 0.24 1.20 -0.33 -0.67 1.08 -0.42 0.39 117.51 119.00 1i1s h ILE 79 Ca 0.08 -0.62 0.02 0.00 -0.39 0.00 0.00 64.86 63.95 1i1s h ILE 79 Cb 0.15 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.92 1i1s h ILE 79 CO -0.01 0.21 0.18 0.28 -0.69 0.00 0.00 178.15 178.12 1i1s h SER 80 N 0.33 0.28 -0.28 1.72 0.02 -1.39 0.20 113.55 114.43 1i1s h SER 80 Ca 0.10 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1i1s h SER 80 Cb 0.23 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1i1s h SER 80 CO -0.00 0.21 -0.03 -1.13 -1.14 0.00 0.00 176.83 174.73 1i1s h ASN 81 N 0.37 0.50 -0.16 3.07 -1.24 -1.16 -2.84 115.58 114.13 1i1s h ASN 81 Ca 0.13 -0.34 -0.02 0.00 0.71 0.00 0.00 56.30 56.78 1i1s h ASN 81 Cb 0.02 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 1i1s h ASN 81 CO -0.08 0.72 0.00 0.00 -1.29 0.00 0.00 177.43 176.79 1i1s h ALA 82 N 0.80 0.21 -0.93 1.57 0.00 0.01 -0.83 119.26 120.08 1i1s h ALA 82 Ca 0.07 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.91 1i1s h ALA 82 Cb 0.48 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1i1s h ALA 82 CO 0.02 -0.09 0.59 0.00 0.00 0.00 0.00 179.25 179.78 1i1s h ALA 83 N 0.77 1.67 -0.83 0.00 0.00 -0.70 0.48 119.26 120.66 1i1s h ALA 83 Ca 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1i1s h ALA 83 Cb 0.37 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1i1s h ALA 83 CO 0.01 0.10 0.44 1.15 0.00 0.00 0.00 179.25 180.95 1i1s h THR 84 N 0.85 1.25 -0.85 0.00 2.02 -1.21 0.67 112.91 115.65 1i1s h THR 84 Ca 0.45 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 1i1s h THR 84 Cb 0.55 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 1i1s h THR 84 CO -0.22 0.28 0.41 -0.07 0.37 0.00 0.00 175.52 176.29 1i1s h LEU 85 N 1.16 1.11 -0.61 2.58 3.38 0.13 0.47 115.31 123.52 1i1s h LEU 85 Ca 0.29 -0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.24 1i1s h LEU 85 Cb 0.05 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.43 1i1s h LEU 85 CO -0.04 0.93 0.14 0.22 0.09 0.00 0.00 178.44 179.77 1i1s h TYR 86 N 1.21 0.22 -0.57 1.13 5.03 -0.42 -3.22 116.97 120.34 1i1s h TYR 86 Ca 0.29 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.63 1i1s h TYR 86 Cb 0.12 -0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.37 1i1s h TYR 86 CO 0.02 -0.03 0.32 0.00 -1.32 0.00 0.00 178.16 177.15 1i1s h ALA 87 N 1.48 0.72 -0.77 1.82 0.00 0.47 0.38 119.26 123.37 1i1s h ALA 87 Ca 0.32 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.22 1i1s h ALA 87 Cb 0.47 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1i1s h ALA 87 CO -0.40 0.23 0.43 -0.56 0.00 0.00 0.00 179.25 178.96 1i1s h GLN 88 N 0.76 0.74 0.00 0.00 3.07 -0.68 0.22 115.11 119.22 1i1s h GLN 88 Ca 0.20 -0.04 -0.41 0.00 0.09 0.00 0.00 58.65 58.49 1i1s h GLN 88 Cb 0.03 -0.17 -0.06 0.00 0.08 0.00 0.00 27.48 27.36 1i1s h GLN 88 CO -0.03 0.49 -2.25 0.39 0.09 0.00 0.00 178.83 177.52 1i1s n GLU 89 N -4.75 0.58 0.24 0.06 -0.58 -0.80 -4.35 120.64 111.04 1i1s n GLU 89 Ca 0.11 0.32 -0.10 0.00 -0.42 0.00 0.00 57.16 57.08 1i1s n GLU 89 Cb 0.23 -1.54 -0.05 0.00 -0.57 0.00 0.00 31.44 29.51 1i1s n GLU 89 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1i1s h ASN 90 N -1.00 -0.54 -5.64 1.62 2.35 -0.42 -3.49 115.58 108.47 1i1s h ASN 90 Ca -0.61 0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.04 1i1s h ASN 90 Cb 1.53 0.14 0.02 0.00 0.05 0.00 0.00 38.32 40.06 1i1s h ASN 90 CO -0.37 -0.33 -0.28 0.00 -1.65 0.00 0.00 177.43 174.80 1i1s n ALA 91 N -2.40 -2.55 0.03 -0.83 0.00 0.79 -4.75 120.51 110.80 1i1s n ALA 91 Ca -0.08 -0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.21 1i1s n ALA 91 Cb 0.25 -1.78 -0.04 0.00 0.00 0.00 0.00 19.45 17.88 1i1s n ALA 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1i1s h PRO 92 N 0.13 -0.31 -1.62 0.00 0.10 -1.88 -3.28 132.00 125.14 1i1s h PRO 92 Ca -0.17 0.02 -0.29 0.00 0.10 0.00 0.00 66.00 65.66 1i1s h PRO 92 Cb 1.10 0.07 -0.26 0.00 0.10 0.00 0.00 31.00 32.01 1i1s h PRO 92 CO 0.33 -0.21 -0.64 -2.00 0.10 0.00 0.00 178.00 175.58 1i1s s GLU 93 N -6.09 0.80 0.08 1.05 -6.30 -1.26 -4.78 118.70 102.20 1i1s s GLU 93 Ca -0.15 -0.95 0.00 0.00 -2.50 0.00 0.00 54.97 51.37 1i1s s GLU 93 Cb 0.10 -0.51 0.00 0.00 0.00 0.00 0.00 34.13 33.72 1i1s s GLU 93 CO 0.67 -1.25 0.00 -0.11 0.02 0.00 0.00 175.26 174.59 1i1s n LEU 94 N 3.83 -0.70 0.09 2.70 0.00 -1.26 -5.04 117.00 116.62 1i1s n LEU 94 Ca 0.15 0.51 0.00 0.00 0.00 0.00 0.00 56.01 56.67 1i1s n LEU 94 Cb 0.50 1.02 0.00 0.00 0.00 0.00 0.00 43.42 44.94 1i1s n LEU 94 CO 0.05 0.04 -0.04 0.18 0.00 0.00 0.00 177.39 177.63 1i1s n LEU 95 N -2.97 0.37 0.00 -1.96 4.77 -1.25 -5.08 117.00 110.87 1i1s n LEU 95 Ca 0.00 0.28 0.11 0.00 -0.03 0.00 0.00 56.01 56.38 1i1s n LEU 95 Cb 0.00 0.05 0.68 0.00 -2.33 0.00 0.00 43.42 41.82 1i1s n LEU 95 CO 0.00 -0.70 0.86 1.17 -1.33 0.00 0.00 177.39 177.39