#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 -1.24 0.11 6.12 3.41 -1.26 -4.98 113.62 115.78 1i1s n SER 2 Ca 0.00 0.38 -0.13 0.00 -0.26 0.00 0.00 58.87 58.85 1i1s n SER 2 Cb 0.00 1.39 -0.08 0.00 -0.26 0.00 0.00 64.21 65.26 1i1s n SER 2 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1i1s h LYS 3 N 0.00 -0.25 -0.84 4.33 3.64 -1.98 -3.30 116.57 118.17 1i1s h LYS 3 Ca 0.00 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1i1s h LYS 3 Cb 0.00 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 1i1s h LYS 3 CO 0.00 -0.01 0.44 -0.39 -2.27 0.00 0.00 179.45 177.22 1i1s h VAL 4 N -0.46 1.25 -0.92 2.00 -1.51 -1.92 0.24 116.25 114.92 1i1s h VAL 4 Ca -0.03 -0.65 0.03 0.00 -1.23 0.00 0.00 66.70 64.83 1i1s h VAL 4 Cb 0.35 0.14 -0.05 0.00 -2.13 0.00 0.00 31.29 29.60 1i1s h VAL 4 CO 0.04 0.29 0.61 0.00 -1.23 0.00 0.00 177.57 177.28 1i1s h THR 5 N 1.18 1.16 -0.78 7.19 1.03 -1.86 0.26 112.91 121.09 1i1s h THR 5 Ca 0.29 -0.40 0.00 0.00 -0.01 0.00 0.00 66.41 66.29 1i1s h THR 5 Cb 0.06 -0.10 -0.04 0.00 -1.07 0.00 0.00 68.15 67.00 1i1s h THR 5 CO -0.04 0.21 0.49 1.88 -0.01 0.00 0.00 175.52 178.04 1i1s h TYR 6 N 1.16 1.00 -0.51 0.00 0.05 -1.08 0.16 116.97 117.75 1i1s h TYR 6 Ca 0.36 0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.16 1i1s h TYR 6 Cb 0.01 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.39 1i1s h TYR 6 CO -0.00 0.65 0.34 0.82 -1.05 0.00 0.00 178.16 178.92 1i1s h ILE 7 N 1.06 1.13 -0.20 -2.88 1.08 0.44 0.41 117.51 118.56 1i1s h ILE 7 Ca 0.28 -0.24 0.04 0.00 -0.39 0.00 0.00 64.86 64.55 1i1s h ILE 7 Cb -0.07 0.38 -0.04 0.00 -3.07 0.00 0.00 36.82 34.02 1i1s h ILE 7 CO -0.06 0.13 -0.05 0.40 -0.69 0.00 0.00 178.15 177.88 1i1s h ILE 8 N 0.69 0.79 -0.12 -0.67 2.04 -0.30 0.45 117.51 120.39 1i1s h ILE 8 Ca 0.19 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.08 1i1s h ILE 8 Cb -0.08 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1i1s h ILE 8 CO -0.04 0.00 -0.11 0.50 0.00 0.00 0.00 178.15 178.50 1i1s h LYS 9 N -0.01 -0.12 -0.18 2.37 1.63 -0.19 0.17 116.57 120.24 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 -0.10 0.00 -3.45 0.00 0.00 179.45 175.61 1i1s h ALA 10 N 0.96 0.26 -0.61 5.00 0.00 -0.02 -2.40 119.26 122.45 1i1s h ALA 10 Ca 0.08 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 54.80 1i1s h ALA 10 Cb 0.24 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 1i1s h ALA 10 CO -0.20 0.10 0.20 1.03 0.00 0.00 0.00 179.25 180.38 1i1s h SER 11 N 0.07 0.16 0.00 0.00 0.87 -0.89 -3.47 113.55 110.30 1i1s h SER 11 Ca 0.04 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1i1s h SER 11 Cb 0.60 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1i1s h SER 11 CO 0.03 0.09 0.00 -3.20 -0.53 0.00 0.00 176.83 173.22 1i1s n ASN 12 N -5.04 0.00 -3.81 6.23 5.15 0.17 -4.74 115.26 113.21 1i1s n ASN 12 Ca 0.09 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.83 1i1s n ASN 12 Cb 0.29 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.56 1i1s n ASN 12 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1i1s n ASP 13 N 0.00 -1.37 -0.06 1.20 -0.08 0.35 -4.90 116.55 111.69 1i1s n ASP 13 Ca 0.00 -0.88 -0.05 0.00 -1.51 0.00 0.00 54.79 52.35 1i1s n ASP 13 Cb 0.00 -3.70 -0.02 0.00 2.34 0.00 0.00 41.12 39.74 1i1s n ASP 13 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1i1s n VAL 14 N -4.36 1.10 -0.91 5.18 0.31 -1.26 -5.06 118.33 113.32 1i1s n VAL 14 Ca -0.25 0.25 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1i1s n VAL 14 Cb 0.66 -2.15 0.19 0.00 -0.91 0.00 0.00 33.84 31.63 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 -7.22 1.63 0.00 7.52 2.01 -1.26 -5.06 118.68 116.30 1i1s s LEU 15 Ca -0.18 1.49 0.00 0.00 0.01 0.00 0.00 54.13 55.45 1i1s s LEU 15 Cb 0.02 -3.66 0.00 0.00 0.01 0.00 0.00 46.19 42.56 1i1s s LEU 15 CO 0.26 -3.38 0.00 0.59 1.01 0.00 0.00 176.35 174.84 1i1s n ASN 16 N -4.37 0.00 0.05 2.29 3.02 -1.26 -4.83 115.26 110.16 1i1s n ASN 16 Ca 0.06 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.49 1i1s n ASN 16 Cb 0.55 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.67 1i1s n ASN 16 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1i1s h GLU 17 N 0.00 -0.41 -0.05 3.52 5.08 -1.98 -3.11 114.58 117.62 1i1s h GLU 17 Ca 0.00 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1i1s h GLU 17 Cb 0.00 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1i1s h GLU 17 CO 0.00 -0.28 0.01 0.87 -1.00 0.00 0.00 179.01 178.62 1i1s h LYS 18 N -0.43 0.08 -0.10 2.33 1.57 -1.97 0.92 116.57 118.98 1i1s h LYS 18 Ca 0.07 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 1i1s h LYS 18 Cb 0.53 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1i1s h LYS 18 CO -0.28 0.26 -0.36 1.79 -0.57 0.00 0.00 179.45 180.30 1i1s h THR 19 N -0.12 1.28 -0.34 -0.16 1.35 -1.91 -2.00 112.91 111.00 1i1s h THR 19 Ca 0.02 -1.36 -0.01 0.00 -0.55 0.00 0.00 66.41 64.51 1i1s h THR 19 Cb 0.21 1.61 -0.02 0.00 -1.73 0.00 0.00 68.15 68.22 1i1s h THR 19 CO -0.00 0.40 0.19 0.00 -0.25 0.00 0.00 175.52 175.86 1i1s h ALA 20 N 1.47 0.44 -0.55 6.62 0.00 -1.10 0.20 119.26 126.34 1i1s h ALA 20 Ca 0.02 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1i1s h ALA 20 Cb 0.71 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1i1s h ALA 20 CO 0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 179.25 179.18 1i1s h THR 21 N 0.43 1.27 0.11 0.00 1.03 -0.84 -1.86 112.91 113.06 1i1s h THR 21 Ca 0.12 -1.25 -0.01 0.00 -0.01 0.00 0.00 66.41 65.27 1i1s h THR 21 Cb 0.07 0.94 0.00 0.00 -1.07 0.00 0.00 68.15 68.09 1i1s h THR 21 CO -0.02 0.44 -0.05 0.40 -0.01 0.00 0.00 175.52 176.28 1i1s h ILE 22 N 0.92 1.00 -0.98 0.00 1.08 -1.12 0.24 117.51 118.64 1i1s h ILE 22 Ca 0.15 -0.42 0.18 0.00 -0.39 0.00 0.00 64.86 64.38 1i1s h ILE 22 Cb 0.66 1.26 -0.09 0.00 -3.07 0.00 0.00 36.82 35.58 1i1s h ILE 22 CO 0.05 0.10 0.61 0.25 -0.69 0.00 0.00 178.15 178.47 1i1s h LEU 23 N -0.35 0.72 -0.29 1.44 5.85 -0.66 -1.99 115.31 120.04 1i1s h LEU 23 Ca -0.02 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1i1s h LEU 23 Cb 0.28 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1i1s h LEU 23 CO 0.03 0.29 0.01 0.40 -0.34 0.00 0.00 178.44 178.82 1i1s h ILE 24 N 0.72 1.25 -0.21 4.05 1.08 -0.44 0.46 117.51 124.42 1i1s h ILE 24 Ca 0.54 -0.91 0.01 0.00 -0.39 0.00 0.00 64.86 64.12 1i1s h ILE 24 Cb 0.90 1.28 -0.02 0.00 -3.07 0.00 0.00 36.82 35.91 1i1s h ILE 24 CO -0.32 0.29 0.10 0.74 -0.69 0.00 0.00 178.15 178.28 1i1s h THR 25 N 0.30 0.99 0.00 -0.27 2.02 0.15 0.10 112.91 116.21 1i1s h THR 25 Ca 0.08 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1i1s h THR 25 Cb 0.41 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 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 0.22 0.98 -0.55 3.11 2.04 -1.42 -3.05 117.51 118.84 1i1s h ILE 26 Ca 0.09 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.04 1i1s h ILE 26 Cb 0.03 0.98 -0.08 0.00 -0.74 0.00 0.00 36.82 37.01 1i1s h ILE 26 CO -0.06 0.00 0.12 0.00 0.00 0.00 0.00 178.15 178.21 1i1s h ALA 27 N 0.98 0.64 0.44 1.87 0.00 0.89 -0.94 119.26 123.13 1i1s h ALA 27 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1i1s h ALA 27 Cb 0.02 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1i1s h ALA 27 CO -0.01 -0.30 -0.39 0.87 0.00 0.00 0.00 179.25 179.43 1i1s h LYS 28 N 0.26 -0.80 -5.31 0.00 1.79 -0.90 -3.43 116.57 108.17 1i1s h LYS 28 Ca 0.28 0.05 -0.62 0.00 -2.18 0.00 0.00 60.65 58.19 1i1s h LYS 28 Cb 0.39 0.18 -0.13 0.00 -1.58 0.00 0.00 32.23 31.09 1i1s h LYS 28 CO -0.36 -0.54 -0.06 0.21 -1.08 0.00 0.00 179.45 177.62 1i1s s LYS 29 N -5.98 4.05 -0.40 3.15 2.20 -0.36 -5.01 119.74 117.40 1i1s s LYS 29 Ca -0.17 0.25 -0.24 0.00 -0.36 0.00 0.00 55.97 55.45 1i1s s LYS 29 Cb 0.05 -3.66 0.02 0.00 -1.51 0.00 0.00 37.83 32.73 1i1s s LYS 29 CO 0.62 -0.34 0.85 -0.51 -0.36 0.00 0.00 175.35 175.61 1i1s s ASP 30 N 1.57 6.55 -1.08 1.43 1.01 -1.26 -2.69 116.67 122.20 1i1s s ASP 30 Ca 0.20 0.30 -0.08 0.00 0.71 0.00 0.00 52.55 53.68 1i1s s ASP 30 Cb -0.16 -2.42 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 1i1s s ASP 30 CO 0.09 -0.85 0.90 0.49 0.21 0.00 0.00 175.17 176.01 1i1s n PHE 31 N 6.70 -2.34 0.00 4.23 3.01 -1.24 -5.04 117.46 122.78 1i1s n PHE 31 Ca 0.05 0.79 0.00 0.00 1.01 0.00 0.00 57.45 59.30 1i1s n PHE 31 Cb 0.48 -4.09 0.00 0.00 -0.01 0.00 0.00 39.48 35.87 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 -3.49 0.00 -4.14 4.37 3.06 -1.09 -4.84 119.36 113.23 1i1s n ILE 32 Ca -0.10 0.00 -0.16 0.00 -2.50 0.00 0.00 62.75 60.00 1i1s n ILE 32 Cb 0.62 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.75 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 -0.91 0.00 -0.34 9.51 -2.24 -1.26 -3.86 114.28 115.18 1i1s n THR 33 Ca 0.00 -1.93 0.12 0.00 -2.27 0.00 0.00 64.05 59.97 1i1s n THR 33 Cb 0.00 1.07 0.32 0.00 -2.10 0.00 0.00 70.33 69.62 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 1.99 1.69 -0.18 6.98 0.00 -1.94 -1.90 119.26 125.90 1i1s h ALA 34 Ca -0.24 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1i1s h ALA 34 Cb 1.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1i1s h ALA 34 CO 0.33 -0.03 0.03 0.00 0.00 0.00 0.00 179.25 179.59 1i1s h ALA 35 N 1.62 0.18 -0.80 0.00 0.00 -1.98 0.12 119.26 118.39 1i1s h ALA 35 Ca 0.55 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.46 1i1s h ALA 35 Cb 0.82 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1i1s h ALA 35 CO -0.33 -0.40 0.40 1.49 0.00 0.00 0.00 179.25 180.41 1i1s h GLU 36 N 0.11 1.14 -0.41 0.00 4.81 -1.85 0.41 114.58 118.79 1i1s h GLU 36 Ca 0.08 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1i1s h GLU 36 Cb 0.07 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1i1s h GLU 36 CO -0.11 0.87 0.26 0.28 -0.73 0.00 0.00 179.01 179.59 1i1s h VAL 37 N 1.12 1.09 -0.75 0.32 2.07 -1.01 0.43 116.25 119.52 1i1s h VAL 37 Ca 0.28 -0.18 0.12 0.00 0.82 0.00 0.00 66.70 67.73 1i1s h VAL 37 Cb 0.10 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 30.29 1i1s h VAL 37 CO -0.04 0.10 0.35 0.03 0.02 0.00 0.00 177.57 178.03 1i1s h ARG 38 N 0.53 0.53 -0.27 1.57 3.08 -0.24 -2.43 114.38 117.15 1i1s h ARG 38 Ca 0.15 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 60.01 1i1s h ARG 38 Cb -0.04 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 1i1s h ARG 38 CO -0.04 0.35 -0.45 0.93 -1.07 0.00 0.00 179.97 179.68 1i1s h GLU 39 N 0.54 0.79 -0.00 0.04 4.39 0.10 -3.25 114.58 117.19 1i1s h GLU 39 Ca 0.39 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1i1s h GLU 39 Cb 0.52 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1i1s h GLU 39 CO -0.34 1.11 -0.24 1.55 -1.16 0.00 0.00 179.01 179.93 1i1s n VAL 40 N -4.12 0.00 -1.99 3.13 3.14 0.14 -4.56 118.33 114.07 1i1s n VAL 40 Ca -0.05 -0.01 -0.42 0.00 -2.96 0.00 0.00 64.34 60.91 1i1s n VAL 40 Cb 0.57 -0.11 -0.03 0.00 -1.06 0.00 0.00 33.84 33.21 1i1s n VAL 40 CO 0.00 0.00 0.00 -1.38 -6.46 0.00 0.00 176.83 168.99 1i1s s HIS 41 N -2.96 2.23 0.02 1.45 -3.43 -0.92 -4.84 115.29 106.84 1i1s s HIS 41 Ca 0.14 0.29 -0.21 0.00 -0.80 0.00 0.00 55.06 54.48 1i1s s HIS 41 Cb 0.18 -3.92 -0.11 0.00 -1.43 0.00 0.00 32.58 27.30 1i1s s HIS 41 CO 0.61 -3.75 1.10 -1.00 -2.00 0.00 0.00 174.74 169.69 1i1s h PRO 42 N 8.89 -0.72 -0.98 -0.38 0.13 -1.89 -3.46 132.00 133.60 1i1s h PRO 42 Ca -0.41 0.05 -0.40 0.00 -0.87 0.00 0.00 66.00 64.37 1i1s h PRO 42 Cb 1.19 0.16 -0.41 0.00 0.13 0.00 0.00 31.00 32.08 1i1s h PRO 42 CO 0.94 -0.48 -1.05 -0.40 -0.23 0.00 0.00 178.00 176.77 1i1s n ASP 43 N -4.40 2.44 0.00 1.44 5.75 -1.26 -4.65 116.55 115.86 1i1s n ASP 43 Ca -0.09 -2.88 0.00 0.00 -0.01 0.00 0.00 54.79 51.81 1i1s n ASP 43 Cb 0.29 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 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 -0.31 0.17 0.00 -2.12 4.32 -1.26 -5.10 117.00 112.71 1i1s n LEU 44 Ca 0.18 0.06 0.00 0.00 -0.02 0.00 0.00 56.01 56.23 1i1s n LEU 44 Cb 0.79 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 1i1s n LEU 44 CO 0.25 -0.34 0.00 0.61 -1.22 0.00 0.00 177.39 176.69 1i1s n GLY 45 N 1.88 2.42 0.24 -0.72 0.00 -1.26 -4.72 105.19 103.03 1i1s n GLY 45 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 1i1s n GLY 45 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1i1s h ASN 46 N 0.00 0.43 -0.50 1.61 -1.07 -1.93 -3.46 115.58 110.67 1i1s h ASN 46 Ca 0.00 -0.13 0.05 0.00 0.07 0.00 0.00 56.30 56.29 1i1s h ASN 46 Cb 0.00 -0.12 -0.05 0.00 -2.07 0.00 0.00 38.32 36.09 1i1s h ASN 46 CO 0.00 0.66 0.23 0.00 0.07 0.00 0.00 177.43 178.39 1i1s h ALA 47 N 1.38 0.63 -0.87 4.14 0.00 -2.02 0.54 119.26 123.07 1i1s h ALA 47 Ca 0.06 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1i1s h ALA 47 Cb 0.60 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1i1s h ALA 47 CO 0.04 -0.12 0.51 -0.39 0.00 0.00 0.00 179.25 179.29 1i1s h VAL 48 N 0.46 1.24 -0.77 0.00 -1.51 -1.89 -3.01 116.25 110.77 1i1s h VAL 48 Ca 0.22 -0.54 0.03 0.00 -1.23 0.00 0.00 66.70 65.18 1i1s h VAL 48 Cb 0.16 0.03 -0.05 0.00 -2.13 0.00 0.00 31.29 29.30 1i1s h VAL 48 CO -0.17 0.26 0.49 0.58 -1.23 0.00 0.00 177.57 177.50 1i1s h VAL 49 N 1.20 1.13 -0.50 7.19 2.07 -0.24 0.64 116.25 127.74 1i1s h VAL 49 Ca 0.31 -0.33 0.08 0.00 0.82 0.00 0.00 66.70 67.58 1i1s h VAL 49 Cb -0.03 0.08 -0.07 0.00 -1.52 0.00 0.00 31.29 29.74 1i1s h VAL 49 CO -0.06 0.18 0.12 -1.13 0.02 0.00 0.00 177.57 176.70 1i1s h ASN 50 N 0.97 0.04 -0.56 0.57 -0.73 -1.32 -2.44 115.58 112.11 1i1s h ASN 50 Ca 0.30 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.53 1i1s h ASN 50 Cb -0.01 0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.66 1i1s h ASN 50 CO -0.10 0.05 0.24 -1.28 -0.37 0.00 0.00 177.43 175.97 1i1s h SER 51 N 0.26 0.76 -0.39 1.15 0.87 -0.24 -2.87 113.55 113.10 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 62.07 1i1s h SER 51 CO -0.31 0.71 -0.24 0.78 -0.53 0.00 0.00 176.83 177.24 1i1s h ASN 52 N 0.77 0.92 -0.06 6.23 2.35 0.31 0.45 115.58 126.55 1i1s h ASN 52 Ca 0.19 -0.35 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1i1s h ASN 52 Cb 0.17 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 1i1s h ASN 52 CO -0.02 1.12 0.00 0.40 -1.65 0.00 0.00 177.43 177.28 1i1s h ILE 53 N 0.77 1.24 -0.76 2.81 2.04 -1.51 -2.33 117.51 119.77 1i1s h ILE 53 Ca 0.10 -0.75 0.03 0.00 1.00 0.00 0.00 64.86 65.23 1i1s h ILE 53 Cb 0.80 1.63 -0.05 0.00 -0.74 0.00 0.00 36.82 38.47 1i1s h ILE 53 CO 0.07 0.21 0.49 1.23 0.00 0.00 0.00 178.15 180.14 1i1s h GLY 54 N -0.18 1.10 1.48 5.37 0.00 -1.26 -0.00 103.07 109.58 1i1s h GLY 54 Ca 0.02 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 1i1s h GLY 54 CO 0.00 0.32 -0.28 -0.24 0.00 0.00 0.00 176.54 176.35 1i1s h VAL 55 N 0.96 1.28 -0.45 4.60 3.04 -0.12 0.58 116.25 126.13 1i1s h VAL 55 Ca 0.30 -1.37 0.07 0.00 -1.01 0.00 0.00 66.70 64.69 1i1s h VAL 55 Cb -0.01 1.36 -0.06 0.00 -2.01 0.00 0.00 31.29 30.57 1i1s h VAL 55 CO -0.10 0.44 0.11 -0.07 -1.01 0.00 0.00 177.57 176.94 1i1s h LEU 56 N 0.52 0.05 -0.69 3.16 4.07 -1.21 -2.73 115.31 118.48 1i1s h LEU 56 Ca 0.07 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 1i1s h LEU 56 Cb 0.75 0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.54 1i1s h LEU 56 CO 0.06 0.06 0.36 0.40 -1.08 0.00 0.00 178.44 178.24 1i1s h ILE 57 N 0.25 1.22 0.00 1.22 1.08 0.13 0.64 117.51 122.06 1i1s h ILE 57 Ca 0.22 -0.59 -0.04 0.00 -0.39 0.00 0.00 64.86 64.06 1i1s h ILE 57 Cb 0.26 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.35 1i1s h ILE 57 CO -0.27 0.25 -0.18 0.07 -0.69 0.00 0.00 178.15 177.33 1i1s h LYS 58 N 0.95 0.00 -0.01 2.37 5.09 0.04 -1.71 116.57 123.30 1i1s h LYS 58 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.97 1i1s h LYS 58 Cb 0.08 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.41 1i1s h LYS 58 CO -0.03 0.18 -0.04 0.87 -2.09 0.00 0.00 179.45 178.34 1i1s h LYS 59 N 0.00 0.04 -3.95 0.07 1.57 -1.15 -3.49 116.57 109.65 1i1s h LYS 59 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1i1s h LYS 59 Cb 0.69 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.95 1i1s h LYS 59 CO 0.02 0.72 -0.76 0.41 -0.57 0.00 0.00 179.45 179.27 1i1s n GLY 60 N 0.77 -4.06 3.16 3.86 0.00 0.18 -5.06 105.19 104.04 1i1s n GLY 60 Ca -0.09 0.65 0.03 0.00 0.00 0.00 0.00 46.02 46.62 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 -0.34 -1.61 -0.00 0.99 2.34 0.20 -4.95 118.68 115.30 1i1s s LEU 61 Ca -0.13 -0.04 -0.12 0.00 0.06 0.00 0.00 54.13 53.90 1i1s s LEU 61 Cb 0.01 2.02 0.01 0.00 -0.56 0.00 0.00 46.19 47.68 1i1s s LEU 61 CO 0.38 -0.27 0.25 0.54 -1.06 0.00 0.00 176.35 176.19 1i1s s VAL 62 N 2.60 0.07 -0.24 1.48 0.11 -1.15 -4.62 120.40 118.65 1i1s s VAL 62 Ca 0.11 -0.57 -0.07 0.00 -2.93 0.00 0.00 61.98 58.52 1i1s s VAL 62 Cb -0.09 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1i1s s VAL 62 CO -0.22 -0.31 0.07 -1.61 -3.33 0.00 0.00 175.10 169.70 1i1s s GLU 63 N -1.45 3.72 -0.38 1.54 2.02 0.15 -4.15 118.70 120.15 1i1s s GLU 63 Ca -0.13 -0.45 -0.28 0.00 0.02 0.00 0.00 54.97 54.12 1i1s s GLU 63 Cb -0.06 -3.31 0.02 0.00 0.10 0.00 0.00 34.13 30.89 1i1s s GLU 63 CO 0.03 -0.10 1.06 0.21 0.02 0.00 0.00 175.26 176.48 1i1s s LYS 64 N 1.38 3.90 -0.35 1.61 2.36 -1.26 -0.19 119.74 127.19 1i1s s LYS 64 Ca 0.05 0.79 -0.03 0.00 -2.55 0.00 0.00 55.97 54.23 1i1s s LYS 64 Cb -0.15 -3.81 0.07 0.00 -1.05 0.00 0.00 37.83 32.89 1i1s s LYS 64 CO 0.04 -1.07 0.10 0.45 1.55 0.00 0.00 175.35 176.42 1i1s s SER 65 N 1.96 5.12 -0.85 1.43 0.15 0.13 -4.94 113.70 116.71 1i1s s SER 65 Ca 0.45 -1.49 -0.11 0.00 0.70 0.00 0.00 55.95 55.50 1i1s s SER 65 Cb -0.10 -1.79 0.22 0.00 -1.71 0.00 0.00 66.02 62.63 1i1s s SER 65 CO 0.21 -0.37 0.78 -0.83 1.20 0.00 0.00 173.24 174.23 1i1s s GLY 66 N 1.50 2.76 -0.42 9.45 0.00 -1.26 -0.37 107.32 118.98 1i1s s GLY 66 Ca 0.00 -3.44 0.09 0.00 0.00 0.00 0.00 44.72 41.37 1i1s s GLY 66 CO -0.01 1.24 0.89 1.22 0.00 0.00 0.00 173.10 176.44 1i1s n ASP 67 N 3.58 -0.89 -3.48 1.64 8.00 -1.26 -5.15 116.55 118.99 1i1s n ASP 67 Ca 0.15 -3.30 -0.12 0.00 0.71 0.00 0.00 54.79 52.23 1i1s n ASP 67 Cb 0.44 0.67 -0.04 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 -1.77 1.10 -0.10 0.44 0.00 0.50 -4.75 107.32 102.74 1i1s s GLY 68 Ca 0.31 -1.26 -0.07 0.00 0.00 0.00 0.00 44.72 43.70 1i1s s GLY 68 CO -0.09 -0.84 0.16 1.08 0.00 0.00 0.00 173.10 173.41 1i1s s LEU 69 N -3.15 4.39 -0.04 0.66 1.43 -1.25 0.19 118.68 120.91 1i1s s LEU 69 Ca 0.27 0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 53.64 1i1s s LEU 69 Cb -0.01 -2.15 0.04 0.00 0.03 0.00 0.00 46.19 44.11 1i1s s LEU 69 CO 0.16 0.39 0.48 0.27 0.23 0.00 0.00 176.35 177.88 1i1s s ILE 70 N -1.06 0.03 0.19 -0.59 -4.36 0.74 -3.61 121.20 112.53 1i1s s ILE 70 Ca 0.17 -0.25 -0.05 0.00 -0.26 0.00 0.00 60.65 60.26 1i1s s ILE 70 Cb -0.12 -0.78 -0.06 0.00 1.25 0.00 0.00 42.46 42.75 1i1s s ILE 70 CO 0.06 -0.13 0.44 0.27 0.24 0.00 0.00 174.94 175.81 1i1s s ILE 71 N -1.18 5.10 0.69 8.37 -4.36 -1.26 0.33 121.20 128.89 1i1s s ILE 71 Ca -0.12 0.09 -0.11 0.00 -0.26 0.00 0.00 60.65 60.25 1i1s s ILE 71 Cb -0.03 -3.65 0.01 0.00 1.25 0.00 0.00 42.46 40.05 1i1s s ILE 71 CO 0.06 -0.05 1.08 0.42 0.24 0.00 0.00 174.94 176.69 1i1s s THR 72 N -1.77 3.53 0.59 8.37 -4.23 -1.26 -4.72 115.64 116.15 1i1s s THR 72 Ca 0.43 0.45 0.29 0.00 -1.18 0.00 0.00 61.69 61.67 1i1s s THR 72 Cb -0.12 -3.48 0.38 0.00 1.34 0.00 0.00 72.50 70.62 1i1s s THR 72 CO 0.25 -0.63 1.92 1.23 -0.54 0.00 0.00 174.62 176.86 1i1s h GLY 73 N -0.60 0.00 0.70 3.99 0.00 -1.99 0.84 103.07 106.01 1i1s h GLY 73 Ca -0.45 0.00 0.02 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 0.00 176.54 177.93 1i1s h GLU 74 N 0.00 -0.10 -0.30 4.80 3.07 -1.96 -2.09 114.58 118.00 1i1s h GLU 74 Ca 0.20 0.01 0.03 0.00 -0.50 0.00 0.00 59.36 59.10 1i1s h GLU 74 Cb 1.08 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.98 1i1s h GLU 74 CO -0.00 -0.07 0.10 0.00 -1.40 0.00 0.00 179.01 177.64 1i1s h ALA 75 N 0.94 0.34 -0.82 3.43 0.00 -1.18 -2.59 119.26 119.38 1i1s h ALA 75 Ca 0.06 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.14 1i1s h ALA 75 Cb 0.19 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1i1s h ALA 75 CO -0.13 -0.30 0.54 1.96 0.00 0.00 0.00 179.25 181.32 1i1s h GLN 76 N 0.24 0.55 -0.27 0.00 4.20 -0.99 0.58 115.11 119.42 1i1s h GLN 76 Ca 0.13 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 1i1s h GLN 76 Cb 0.10 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1i1s h GLN 76 CO -0.14 0.36 -0.05 0.22 -0.67 0.00 0.00 178.83 178.56 1i1s h ASP 77 N 0.57 0.52 -0.23 1.46 3.58 -1.19 -2.73 116.42 118.39 1i1s h ASP 77 Ca 0.41 -0.35 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 1i1s h ASP 77 Cb 0.76 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 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 -0.31 2.25 1.08 0.34 -2.20 117.51 120.10 1i1s h ILE 78 Ca 0.07 -0.47 -0.02 0.00 -0.39 0.00 0.00 64.86 64.06 1i1s h ILE 78 Cb 0.51 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 1i1s h ILE 78 CO 0.02 0.16 0.12 0.40 -0.69 0.00 0.00 178.15 178.16 1i1s h ILE 79 N 0.23 1.18 -0.33 -0.67 1.08 -0.48 0.38 117.51 118.92 1i1s h ILE 79 Ca 0.08 -0.56 0.02 0.00 -0.39 0.00 0.00 64.86 64.01 1i1s h ILE 79 Cb 0.15 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 34.85 1i1s h ILE 79 CO -0.01 0.19 0.18 0.28 -0.69 0.00 0.00 178.15 178.10 1i1s h SER 80 N 0.35 0.28 -0.24 1.72 0.02 -1.43 0.16 113.55 114.42 1i1s h SER 80 Ca 0.10 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 1i1s h SER 80 Cb 0.19 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1i1s h SER 80 CO -0.01 0.20 -0.10 -1.13 -1.14 0.00 0.00 176.83 174.65 1i1s h ASN 81 N 0.36 0.50 -0.16 3.07 -1.24 -1.26 -2.85 115.58 114.01 1i1s h ASN 81 Ca 0.13 -0.40 -0.02 0.00 0.71 0.00 0.00 56.30 56.72 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 0.79 0.00 0.00 -1.29 0.00 0.00 177.43 176.86 1i1s h ALA 82 N 0.73 0.21 -0.93 1.57 0.00 0.01 -0.38 119.26 120.46 1i1s h ALA 82 Ca 0.05 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.89 1i1s h ALA 82 Cb 0.59 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 1i1s h ALA 82 CO 0.03 -0.09 0.60 0.00 0.00 0.00 0.00 179.25 179.79 1i1s h ALA 83 N 0.77 1.65 -0.86 0.00 0.00 -0.78 0.27 119.26 120.30 1i1s h ALA 83 Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1i1s h ALA 83 Cb 0.37 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1i1s h ALA 83 CO 0.01 0.13 0.46 1.15 0.00 0.00 0.00 179.25 180.99 1i1s h THR 84 N 0.88 1.26 -0.82 0.00 2.02 -1.17 0.52 112.91 115.58 1i1s h THR 84 Ca 0.46 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 1i1s h THR 84 Cb 0.52 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 1i1s h THR 84 CO -0.22 0.29 0.50 -0.07 0.37 0.00 0.00 175.52 176.39 1i1s h LEU 85 N 1.21 0.99 -0.92 2.58 3.38 0.10 0.41 115.31 123.07 1i1s h LEU 85 Ca 0.30 -0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.37 1i1s h LEU 85 Cb 0.05 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 40.45 1i1s h LEU 85 CO -0.05 0.76 0.51 0.22 0.09 0.00 0.00 178.44 179.98 1i1s h TYR 86 N 1.13 0.89 -0.42 1.13 5.03 -0.29 -3.06 116.97 121.38 1i1s h TYR 86 Ca 0.30 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.63 1i1s h TYR 86 Cb -0.04 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 37.96 1i1s h TYR 86 CO -0.00 0.21 0.22 0.00 -1.32 0.00 0.00 178.16 177.26 1i1s h ALA 87 N 1.59 0.54 -0.74 1.82 0.00 0.43 0.33 119.26 123.24 1i1s h ALA 87 Ca 0.51 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.37 1i1s h ALA 87 Cb 0.75 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1i1s h ALA 87 CO -0.37 0.08 0.45 -0.56 0.00 0.00 0.00 179.25 178.85 1i1s h GLN 88 N 0.54 0.82 0.00 0.00 3.07 -0.98 -2.88 115.11 115.69 1i1s h GLN 88 Ca 0.15 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.84 1i1s h GLN 88 Cb 0.08 -0.19 0.00 0.00 0.08 0.00 0.00 27.48 27.46 1i1s h GLN 88 CO -0.02 0.54 -0.85 0.39 0.09 0.00 0.00 178.83 178.99 1i1s n GLU 89 N -4.68 0.45 0.26 0.06 -0.58 -1.12 -4.68 120.64 110.35 1i1s n GLU 89 Ca 0.09 0.18 -0.15 0.00 -0.42 0.00 0.00 57.16 56.86 1i1s n GLU 89 Cb 0.13 -1.28 -0.08 0.00 -0.57 0.00 0.00 31.44 29.64 1i1s n GLU 89 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 1i1s h ASN 90 N -0.85 -0.58 -4.48 1.62 -1.24 -0.65 -3.47 115.58 105.94 1i1s h ASN 90 Ca 0.00 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.94 1i1s h ASN 90 Cb 0.85 0.15 0.00 0.00 0.73 0.00 0.00 38.32 40.04 1i1s h ASN 90 CO 0.00 -0.24 -0.21 0.00 -1.29 0.00 0.00 177.43 175.69 1i1s n ALA 91 N -2.55 -2.72 -2.01 1.57 0.00 0.16 -4.71 120.51 110.25 1i1s n ALA 91 Ca -0.11 0.50 -0.42 0.00 0.00 0.00 0.00 53.44 53.41 1i1s n ALA 91 Cb 0.32 -1.95 -0.03 0.00 0.00 0.00 0.00 19.45 17.79 1i1s n ALA 91 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1i1s s PRO 92 N -2.36 4.10 -0.59 0.00 0.04 -1.26 -1.64 135.00 133.28 1i1s s PRO 92 Ca 0.11 2.11 -0.04 0.00 0.04 0.00 0.00 61.00 63.22 1i1s s PRO 92 Cb -0.03 -4.00 0.04 0.00 0.04 0.00 0.00 34.50 30.55 1i1s s PRO 92 CO 0.49 -0.94 0.10 0.39 0.04 0.00 0.00 177.00 177.08 1i1s n GLU 93 N 7.24 -0.94 -0.11 4.56 1.02 -1.26 -4.79 120.64 126.36 1i1s n GLU 93 Ca 0.18 0.04 -0.18 0.00 -0.02 0.00 0.00 57.16 57.18 1i1s n GLU 93 Cb 0.43 -1.43 -0.10 0.00 -0.02 0.00 0.00 31.44 30.33 1i1s n GLU 93 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1i1s n LEU 94 N -2.01 2.58 -0.08 -4.62 4.77 -0.65 -4.56 117.00 112.43 1i1s n LEU 94 Ca -0.04 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.88 1i1s n LEU 94 Cb 0.20 -0.74 -0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1i1s n LEU 94 CO 0.31 0.75 0.77 -0.07 -1.33 0.00 0.00 177.39 177.83 1i1s h LEU 95 N -0.25 -0.43 0.00 2.23 3.38 -1.81 -3.51 115.31 114.91 1i1s h LEU 95 Ca -0.52 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1i1s h LEU 95 Cb 1.69 0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.68 1i1s h LEU 95 CO -0.16 -0.16 0.00 1.17 0.09 0.00 0.00 178.44 179.38