#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 0.00 0.11 6.12 7.64 -1.26 -4.66 113.62 121.58 1i1s n SER 2 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1i1s n SER 2 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 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 0.00 -0.25 -0.55 1.43 3.64 -1.96 -1.57 116.57 117.30 1i1s h LYS 3 Ca 0.00 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 1i1s h LYS 3 Cb 0.00 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1i1s h LYS 3 CO 0.00 -0.01 -0.02 -0.39 -2.27 0.00 0.00 179.45 176.76 1i1s h VAL 4 N -0.46 1.26 -0.92 2.00 -1.51 -1.91 0.19 116.25 114.90 1i1s h VAL 4 Ca -0.03 -1.12 0.04 0.00 -1.23 0.00 0.00 66.70 64.36 1i1s h VAL 4 Cb 0.35 0.85 -0.05 0.00 -2.13 0.00 0.00 31.29 30.31 1i1s h VAL 4 CO 0.04 0.40 0.60 0.74 -1.23 0.00 0.00 177.57 178.13 1i1s h THR 5 N 0.88 1.14 -0.56 7.19 2.02 -1.78 0.28 112.91 122.08 1i1s h THR 5 Ca 0.16 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 66.89 1i1s h THR 5 Cb 0.54 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 1i1s h THR 5 CO 0.03 0.21 0.10 1.88 0.37 0.00 0.00 175.52 178.10 1i1s h TYR 6 N 1.13 0.93 -0.36 3.16 0.05 -0.34 -0.56 116.97 120.99 1i1s h TYR 6 Ca 0.37 -0.11 0.03 0.00 0.05 0.00 0.00 58.73 59.07 1i1s h TYR 6 Cb 0.05 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.50 1i1s h TYR 6 CO -0.00 0.80 0.17 0.82 -1.05 0.00 0.00 178.16 178.90 1i1s h ILE 7 N 0.85 0.97 -0.70 -2.88 1.08 0.15 0.50 117.51 117.48 1i1s h ILE 7 Ca 0.18 -0.12 0.07 0.00 -0.39 0.00 0.00 64.86 64.60 1i1s h ILE 7 Cb 0.37 0.58 -0.06 0.00 -3.07 0.00 0.00 36.82 34.64 1i1s h ILE 7 CO 0.01 0.06 0.38 0.40 -0.69 0.00 0.00 178.15 178.31 1i1s h ILE 8 N 0.36 0.92 0.08 -0.67 2.04 -0.43 0.85 117.51 120.66 1i1s h ILE 8 Ca 0.15 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1i1s h ILE 8 Cb 0.07 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1i1s h ILE 8 CO -0.11 0.12 -0.07 0.50 0.00 0.00 0.00 178.15 178.59 1i1s h LYS 9 N 0.67 -0.16 -0.17 2.37 1.63 -0.28 0.13 116.57 120.76 1i1s h LYS 9 Ca 0.33 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 60.08 1i1s h LYS 9 Cb 0.27 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1i1s h LYS 9 CO -0.22 -0.11 -0.12 0.00 -3.45 0.00 0.00 179.45 175.55 1i1s h ALA 10 N 0.75 0.24 -0.59 5.00 0.00 0.46 -2.58 119.26 122.54 1i1s h ALA 10 Ca 0.00 -0.31 0.11 0.00 0.00 0.00 0.00 54.91 54.71 1i1s h ALA 10 Cb 0.16 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 1i1s h ALA 10 CO -0.01 0.10 0.14 1.03 0.00 0.00 0.00 179.25 180.50 1i1s h SER 11 N 0.04 0.03 0.00 0.00 0.87 -0.92 -3.47 113.55 110.11 1i1s h SER 11 Ca 0.03 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1i1s h SER 11 Cb 0.63 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1i1s h SER 11 CO 0.03 0.03 0.00 -3.20 -0.53 0.00 0.00 176.83 173.16 1i1s n ASN 12 N -5.11 0.00 -3.83 6.23 2.85 -0.78 -4.77 115.26 109.84 1i1s n ASN 12 Ca 0.09 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.31 1i1s n ASN 12 Cb 0.31 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.34 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 -1.28 -0.07 1.20 -0.08 0.39 -4.90 116.55 111.82 1i1s n ASP 13 Ca 0.00 -0.89 -0.07 0.00 -1.51 0.00 0.00 54.79 52.32 1i1s n ASP 13 Cb 0.00 -3.63 -0.02 0.00 2.34 0.00 0.00 41.12 39.81 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 1.20 -0.79 5.18 0.31 -1.26 -5.07 118.33 113.52 1i1s n VAL 14 Ca -0.26 0.22 -0.29 0.00 -0.01 0.00 0.00 64.34 64.00 1i1s n VAL 14 Cb 0.66 -2.19 0.24 0.00 -0.91 0.00 0.00 33.84 31.64 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 -7.37 0.47 0.00 7.52 2.01 -1.26 -5.08 118.68 114.97 1i1s s LEU 15 Ca -0.21 1.03 0.00 0.00 0.01 0.00 0.00 54.13 54.96 1i1s s LEU 15 Cb 0.03 -2.83 0.00 0.00 0.01 0.00 0.00 46.19 43.40 1i1s s LEU 15 CO 0.32 -4.24 0.00 0.59 1.01 0.00 0.00 176.35 174.03 1i1s n ASN 16 N -4.89 0.00 0.09 2.29 5.03 -1.26 -4.86 115.26 111.65 1i1s n ASN 16 Ca 0.08 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.40 1i1s n ASN 16 Cb 0.58 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.28 1i1s n ASN 16 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1i1s h GLU 17 N 0.00 -0.52 -0.05 3.52 5.08 -1.98 -3.14 114.58 117.48 1i1s h GLU 17 Ca 0.00 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1i1s h GLU 17 Cb 0.00 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1i1s h GLU 17 CO 0.00 -0.34 0.02 0.87 -1.00 0.00 0.00 179.01 178.55 1i1s h LYS 18 N -0.54 0.08 -0.17 2.33 1.57 -1.96 0.14 116.57 118.02 1i1s h LYS 18 Ca 0.04 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1i1s h LYS 18 Cb 0.59 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1i1s h LYS 18 CO -0.23 0.26 -0.19 1.79 -0.57 0.00 0.00 179.45 180.51 1i1s h THR 19 N -0.11 1.22 -0.33 -0.16 1.35 -1.90 -0.67 112.91 112.31 1i1s h THR 19 Ca 0.02 -1.00 -0.01 0.00 -0.55 0.00 0.00 66.41 64.87 1i1s h THR 19 Cb 0.21 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 67.92 1i1s h THR 19 CO -0.00 0.31 0.18 0.00 -0.25 0.00 0.00 175.52 175.76 1i1s h ALA 20 N 1.54 0.42 -0.44 6.62 0.00 -1.04 0.21 119.26 126.57 1i1s h ALA 20 Ca 0.05 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1i1s h ALA 20 Cb 0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1i1s h ALA 20 CO 0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 179.25 179.16 1i1s h THR 21 N 0.41 1.27 0.12 0.00 1.03 -0.69 -1.22 112.91 113.83 1i1s h THR 21 Ca 0.12 -1.18 -0.01 0.00 -0.01 0.00 0.00 66.41 65.33 1i1s h THR 21 Cb 0.07 1.13 0.00 0.00 -1.07 0.00 0.00 68.15 68.28 1i1s h THR 21 CO -0.02 0.40 -0.06 0.40 -0.01 0.00 0.00 175.52 176.24 1i1s h ILE 22 N 0.68 0.93 -0.99 0.00 1.08 -0.97 0.26 117.51 118.49 1i1s h ILE 22 Ca 0.12 -0.19 0.18 0.00 -0.39 0.00 0.00 64.86 64.58 1i1s h ILE 22 Cb 0.61 1.05 -0.10 0.00 -3.07 0.00 0.00 36.82 35.32 1i1s h ILE 22 CO 0.04 0.05 0.61 0.25 -0.69 0.00 0.00 178.15 178.41 1i1s h LEU 23 N -0.25 0.76 -0.23 1.44 5.85 -0.64 -2.02 115.31 120.22 1i1s h LEU 23 Ca -0.02 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1i1s h LEU 23 Cb 0.20 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1i1s h LEU 23 CO 0.03 0.30 0.07 0.40 -0.34 0.00 0.00 178.44 178.90 1i1s h ILE 24 N 0.75 1.19 -0.33 4.05 1.08 -0.05 0.45 117.51 124.66 1i1s h ILE 24 Ca 0.55 -0.61 0.02 0.00 -0.39 0.00 0.00 64.86 64.43 1i1s h ILE 24 Cb 0.87 1.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.76 1i1s h ILE 24 CO -0.34 0.20 0.18 0.74 -0.69 0.00 0.00 178.15 178.24 1i1s h THR 25 N 0.21 1.02 0.02 -0.27 2.02 0.15 0.11 112.91 116.16 1i1s h THR 25 Ca 0.07 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1i1s h THR 25 Cb 0.23 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1i1s h THR 25 CO -0.00 0.07 -0.01 0.40 0.37 0.00 0.00 175.52 176.35 1i1s h ILE 26 N 0.37 1.01 -0.55 3.11 2.04 -1.42 -2.96 117.51 119.11 1i1s h ILE 26 Ca 0.13 -0.07 0.10 0.00 1.00 0.00 0.00 64.86 66.02 1i1s h ILE 26 Cb 0.02 1.05 -0.08 0.00 -0.74 0.00 0.00 36.82 37.07 1i1s h ILE 26 CO -0.07 0.02 0.12 0.00 0.00 0.00 0.00 178.15 178.21 1i1s h ALA 27 N 0.93 0.63 0.44 1.87 0.00 0.11 -0.10 119.26 123.13 1i1s h ALA 27 Ca -0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1i1s h ALA 27 Cb 0.05 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1i1s h ALA 27 CO 0.00 -0.30 -0.38 0.87 0.00 0.00 0.00 179.25 179.44 1i1s h LYS 28 N 0.25 -0.79 -5.47 0.00 1.79 -0.92 -3.44 116.57 107.99 1i1s h LYS 28 Ca 0.28 0.05 -0.60 0.00 -2.18 0.00 0.00 60.65 58.20 1i1s h LYS 28 Cb 0.39 0.18 -0.11 0.00 -1.58 0.00 0.00 32.23 31.11 1i1s h LYS 28 CO -0.36 -0.53 -0.04 0.21 -1.08 0.00 0.00 179.45 177.65 1i1s s LYS 29 N -5.98 4.15 -0.48 3.15 2.20 -0.05 -5.01 119.74 117.72 1i1s s LYS 29 Ca -0.17 0.37 -0.21 0.00 -0.36 0.00 0.00 55.97 55.60 1i1s s LYS 29 Cb 0.05 -3.59 0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1i1s s LYS 29 CO 0.62 -0.21 0.72 -0.51 -0.36 0.00 0.00 175.35 175.62 1i1s s ASP 30 N 1.27 6.31 -0.95 1.43 1.01 -1.26 -3.09 116.67 121.39 1i1s s ASP 30 Ca 0.23 -0.49 -0.04 0.00 0.71 0.00 0.00 52.55 52.96 1i1s s ASP 30 Cb -0.15 -2.34 -0.05 0.00 1.01 0.00 0.00 42.92 41.38 1i1s s ASP 30 CO 0.09 -0.93 0.82 0.49 0.21 0.00 0.00 175.17 175.86 1i1s n PHE 31 N 6.56 -2.14 0.00 4.23 3.72 -1.22 -5.04 117.46 123.56 1i1s n PHE 31 Ca -0.02 0.77 0.00 0.00 -0.05 0.00 0.00 57.45 58.15 1i1s n PHE 31 Cb 0.47 -4.07 0.00 0.00 -0.94 0.00 0.00 39.48 34.94 1i1s n PHE 31 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1i1s n ILE 32 N -3.15 0.00 -4.08 4.37 3.06 -1.18 -4.83 119.36 113.54 1i1s n ILE 32 Ca -0.09 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.02 1i1s n ILE 32 Cb 0.61 0.00 -0.04 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 -0.52 0.00 -0.28 9.51 -2.24 -1.26 -3.87 114.28 115.63 1i1s n THR 33 Ca 0.00 -1.64 0.06 0.00 -2.27 0.00 0.00 64.05 60.20 1i1s n THR 33 Cb 0.00 0.90 0.20 0.00 -2.10 0.00 0.00 70.33 69.34 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 1.87 1.17 -0.23 6.98 0.00 -1.94 -1.90 119.26 125.21 1i1s h ALA 34 Ca -0.20 0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1i1s h ALA 34 Cb 0.93 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1i1s h ALA 34 CO 0.28 -0.15 -0.06 0.00 0.00 0.00 0.00 179.25 179.32 1i1s h ALA 35 N 1.55 0.14 -0.76 0.00 0.00 -1.99 0.84 119.26 119.03 1i1s h ALA 35 Ca 0.44 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 1i1s h ALA 35 Cb 0.63 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1i1s h ALA 35 CO -0.38 -0.48 0.40 1.49 0.00 0.00 0.00 179.25 180.28 1i1s h GLU 36 N -0.01 1.08 -0.91 0.00 4.81 -1.90 -0.46 114.58 117.19 1i1s h GLU 36 Ca 0.11 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1i1s h GLU 36 Cb 0.18 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 1i1s h GLU 36 CO -0.24 0.82 0.60 0.28 -0.73 0.00 0.00 179.01 179.74 1i1s h VAL 37 N 1.06 1.21 -0.73 0.32 2.07 -0.48 0.52 116.25 120.22 1i1s h VAL 37 Ca 0.27 -0.42 0.11 0.00 0.82 0.00 0.00 66.70 67.48 1i1s h VAL 37 Cb 0.07 -0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 29.66 1i1s h VAL 37 CO -0.04 0.22 0.35 0.03 0.02 0.00 0.00 177.57 178.15 1i1s h ARG 38 N 1.21 0.55 -0.27 1.57 3.08 -0.57 -3.04 114.38 116.91 1i1s h ARG 38 Ca 0.34 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 60.20 1i1s h ARG 38 Cb -0.11 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 1i1s h ARG 38 CO -0.08 0.36 -0.46 0.93 -1.07 0.00 0.00 179.97 179.64 1i1s h GLU 39 N 0.57 0.79 0.00 0.04 4.39 0.15 -3.23 114.58 117.29 1i1s h GLU 39 Ca 0.38 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1i1s h GLU 39 Cb 0.46 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1i1s h GLU 39 CO -0.31 1.12 -0.20 1.55 -1.16 0.00 0.00 179.01 180.01 1i1s n VAL 40 N -4.11 0.24 -2.04 3.13 3.14 0.13 -4.59 118.33 114.23 1i1s n VAL 40 Ca -0.05 -0.13 -0.42 0.00 -2.96 0.00 0.00 64.34 60.78 1i1s n VAL 40 Cb 0.58 -0.32 -0.03 0.00 -1.06 0.00 0.00 33.84 33.01 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 -3.06 2.48 0.02 1.45 -3.43 -1.15 -4.83 115.29 106.77 1i1s s HIS 41 Ca 0.11 0.47 -0.19 0.00 -0.80 0.00 0.00 55.06 54.65 1i1s s HIS 41 Cb 0.16 -3.85 -0.10 0.00 -1.43 0.00 0.00 32.58 27.35 1i1s s HIS 41 CO 0.61 -3.38 1.08 -1.00 -2.00 0.00 0.00 174.74 170.05 1i1s h PRO 42 N 8.38 -0.65 -0.82 -0.38 0.13 -1.88 -3.46 132.00 133.32 1i1s h PRO 42 Ca -0.40 0.04 -0.39 0.00 -0.87 0.00 0.00 66.00 64.38 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 -1.02 -0.40 -0.23 0.00 0.00 178.00 176.85 1i1s n ASP 43 N -4.16 2.73 -0.03 1.44 5.75 -1.26 -4.56 116.55 116.47 1i1s n ASP 43 Ca -0.08 -2.83 -0.02 0.00 -0.01 0.00 0.00 54.79 51.85 1i1s n ASP 43 Cb 0.27 -0.46 -0.01 0.00 -1.03 0.00 0.00 41.12 39.89 1i1s n ASP 43 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1i1s h LEU 44 N 2.62 0.00 0.00 -2.12 4.07 -1.95 -3.51 115.31 114.42 1i1s h LEU 44 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1i1s h LEU 44 Cb 1.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.99 1i1s h LEU 44 CO 0.49 0.27 0.00 0.61 -1.08 0.00 0.00 178.44 178.74 1i1s n GLY 45 N 1.71 3.81 0.14 0.83 0.00 -1.26 -4.81 105.19 105.60 1i1s n GLY 45 Ca -0.02 -0.93 -0.06 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.25 -0.33 1.61 -1.07 -1.93 0.53 115.58 114.14 1i1s h ASN 46 Ca 0.00 0.09 -0.01 0.00 0.07 0.00 0.00 56.30 56.45 1i1s h ASN 46 Cb 0.00 0.18 -0.01 0.00 -2.07 0.00 0.00 38.32 36.41 1i1s h ASN 46 CO 0.00 -0.09 0.16 0.00 0.07 0.00 0.00 177.43 177.57 1i1s h ALA 47 N 1.30 0.42 -0.61 4.14 0.00 -2.01 -2.29 119.26 120.21 1i1s h ALA 47 Ca 0.15 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1i1s h ALA 47 Cb 0.23 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1i1s h ALA 47 CO -0.31 -0.02 0.13 -0.39 0.00 0.00 0.00 179.25 178.67 1i1s h VAL 48 N 0.39 1.25 -0.67 0.00 -1.51 -1.70 -2.91 116.25 111.10 1i1s h VAL 48 Ca 0.11 -0.91 -0.02 0.00 -1.23 0.00 0.00 66.70 64.65 1i1s h VAL 48 Cb 0.12 0.63 -0.03 0.00 -2.13 0.00 0.00 31.29 29.88 1i1s h VAL 48 CO -0.01 0.34 0.35 0.58 -1.23 0.00 0.00 177.57 177.60 1i1s h VAL 49 N 0.92 1.22 -0.52 7.19 2.07 0.42 0.58 116.25 128.12 1i1s h VAL 49 Ca 0.19 -0.58 0.08 0.00 0.82 0.00 0.00 66.70 67.22 1i1s h VAL 49 Cb 0.35 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 30.42 1i1s h VAL 49 CO 0.00 0.25 0.14 -1.13 0.02 0.00 0.00 177.57 176.85 1i1s h ASN 50 N 0.93 0.07 -0.56 0.57 -0.73 -1.40 -2.30 115.58 112.16 1i1s h ASN 50 Ca 0.23 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.46 1i1s h ASN 50 Cb 0.08 0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.74 1i1s h ASN 50 CO -0.03 0.06 0.24 -1.28 -0.37 0.00 0.00 177.43 176.05 1i1s h SER 51 N 0.29 0.76 -0.40 1.15 0.87 -0.64 -2.84 113.55 112.75 1i1s h SER 51 Ca 0.26 -0.16 -0.13 0.00 -1.23 0.00 0.00 61.79 60.54 1i1s h SER 51 Cb 0.34 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1i1s h SER 51 CO -0.31 0.71 -0.23 0.78 -0.53 0.00 0.00 176.83 177.25 1i1s h ASN 52 N 0.77 0.93 -0.05 6.23 2.35 0.38 0.44 115.58 126.63 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 -0.26 -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 0.00 177.43 177.27 1i1s h ILE 53 N 0.78 1.28 -0.79 2.81 2.04 -1.50 -2.56 117.51 119.57 1i1s h ILE 53 Ca 0.10 -0.87 0.03 0.00 1.00 0.00 0.00 64.86 65.12 1i1s h ILE 53 Cb 0.79 1.77 -0.05 0.00 -0.74 0.00 0.00 36.82 38.59 1i1s h ILE 53 CO 0.07 0.24 0.51 1.23 0.00 0.00 0.00 178.15 180.19 1i1s h GLY 54 N -0.24 1.14 1.47 5.37 0.00 -1.24 -0.13 103.07 109.44 1i1s h GLY 54 Ca 0.01 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 1i1s h GLY 54 CO 0.00 0.34 -0.28 -0.24 0.00 0.00 0.00 176.54 176.37 1i1s h VAL 55 N 1.00 1.28 -0.44 4.60 3.04 -0.16 0.59 116.25 126.15 1i1s h VAL 55 Ca 0.31 -1.37 0.07 0.00 -1.01 0.00 0.00 66.70 64.70 1i1s h VAL 55 Cb -0.02 1.35 -0.06 0.00 -2.01 0.00 0.00 31.29 30.56 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 0.06 -0.66 3.16 4.07 -1.24 -2.72 115.31 118.49 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 0.06 0.33 0.40 -1.08 0.00 0.00 178.44 178.21 1i1s h ILE 57 N 0.25 1.22 0.00 1.22 1.08 0.11 0.66 117.51 122.06 1i1s h ILE 57 Ca 0.22 -0.62 -0.05 0.00 -0.39 0.00 0.00 64.86 64.02 1i1s h ILE 57 Cb 0.25 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.40 1i1s h ILE 57 CO -0.26 0.26 -0.22 0.07 -0.69 0.00 0.00 178.15 177.30 1i1s h LYS 58 N 0.92 0.00 -0.01 2.37 5.09 0.08 -1.82 116.57 123.20 1i1s h LYS 58 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.96 1i1s h LYS 58 Cb 0.11 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.44 1i1s h LYS 58 CO -0.03 0.22 -0.03 0.87 -2.09 0.00 0.00 179.45 178.39 1i1s h LYS 59 N 0.00 0.03 -3.87 0.07 1.57 -1.15 -3.49 116.57 109.72 1i1s h LYS 59 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1i1s h LYS 59 Cb 0.73 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.98 1i1s h LYS 59 CO 0.03 0.71 -0.70 0.41 -0.57 0.00 0.00 179.45 179.33 1i1s n GLY 60 N 0.76 -3.96 3.14 3.86 0.00 0.26 -5.06 105.19 104.20 1i1s n GLY 60 Ca -0.09 0.57 0.02 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.31 -1.55 -0.00 0.99 2.34 0.20 -4.95 118.68 115.40 1i1s s LEU 61 Ca -0.12 -0.07 -0.12 0.00 0.06 0.00 0.00 54.13 53.88 1i1s s LEU 61 Cb 0.01 1.95 0.01 0.00 -0.56 0.00 0.00 46.19 47.60 1i1s s LEU 61 CO 0.35 -0.28 0.25 0.54 -1.06 0.00 0.00 176.35 176.15 1i1s s VAL 62 N 2.59 0.07 -0.24 1.48 0.11 -1.15 -4.62 120.40 118.65 1i1s s VAL 62 Ca 0.11 -0.58 -0.08 0.00 -2.93 0.00 0.00 61.98 58.50 1i1s s VAL 62 Cb -0.09 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 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 -1.48 3.75 -0.33 1.54 2.02 0.15 -4.17 118.70 120.18 1i1s s GLU 63 Ca -0.13 -0.43 -0.28 0.00 0.02 0.00 0.00 54.97 54.14 1i1s s GLU 63 Cb -0.06 -3.35 0.02 0.00 0.10 0.00 0.00 34.13 30.84 1i1s s GLU 63 CO 0.03 -0.10 1.04 0.21 0.02 0.00 0.00 175.26 176.45 1i1s s LYS 64 N 1.40 4.01 -0.34 1.61 2.20 -1.26 -0.23 119.74 127.13 1i1s s LYS 64 Ca 0.06 0.95 -0.02 0.00 -0.36 0.00 0.00 55.97 56.59 1i1s s LYS 64 Cb -0.15 -3.75 0.07 0.00 -1.51 0.00 0.00 37.83 32.49 1i1s s LYS 64 CO 0.04 -0.92 0.08 0.45 -0.36 0.00 0.00 175.35 174.64 1i1s s SER 65 N 1.72 5.05 -0.87 1.43 0.15 0.14 -4.93 113.70 116.38 1i1s s SER 65 Ca 0.44 -1.52 -0.12 0.00 0.70 0.00 0.00 55.95 55.45 1i1s s SER 65 Cb -0.12 -1.76 0.23 0.00 -1.71 0.00 0.00 66.02 62.65 1i1s s SER 65 CO 0.16 -0.36 0.81 -0.83 1.20 0.00 0.00 173.24 174.22 1i1s s GLY 66 N 1.44 2.78 -0.42 9.45 0.00 -1.26 -0.25 107.32 119.06 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 -0.02 1.26 0.90 1.22 0.00 0.00 0.00 173.10 176.46 1i1s n ASP 67 N 3.63 -0.86 -3.43 1.64 8.00 -1.26 -5.15 116.55 119.12 1i1s n ASP 67 Ca 0.16 -3.31 -0.13 0.00 0.71 0.00 0.00 54.79 52.22 1i1s n ASP 67 Cb 0.44 0.66 -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 -1.79 1.12 -0.09 0.44 0.00 0.66 -4.74 107.32 102.92 1i1s s GLY 68 Ca 0.31 -1.28 -0.07 0.00 0.00 0.00 0.00 44.72 43.69 1i1s s GLY 68 CO -0.08 -0.84 0.17 1.08 0.00 0.00 0.00 173.10 173.43 1i1s s LEU 69 N -3.16 4.39 -0.04 0.66 1.43 -1.25 0.24 118.68 120.95 1i1s s LEU 69 Ca 0.27 0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 53.64 1i1s s LEU 69 Cb -0.01 -2.21 0.04 0.00 0.03 0.00 0.00 46.19 44.04 1i1s s LEU 69 CO 0.16 0.38 0.48 0.27 0.23 0.00 0.00 176.35 177.86 1i1s s ILE 70 N -1.09 0.03 0.41 -0.59 -4.36 0.68 -3.45 121.20 112.82 1i1s s ILE 70 Ca 0.18 -0.25 -0.01 0.00 -0.26 0.00 0.00 60.65 60.30 1i1s s ILE 70 Cb -0.12 -0.78 -0.03 0.00 1.25 0.00 0.00 42.46 42.77 1i1s s ILE 70 CO 0.07 -0.14 0.64 0.27 0.24 0.00 0.00 174.94 176.03 1i1s s ILE 71 N -1.20 4.87 0.98 8.37 -4.36 -1.26 0.30 121.20 128.91 1i1s s ILE 71 Ca -0.12 -0.26 -0.16 0.00 -0.26 0.00 0.00 60.65 59.86 1i1s s ILE 71 Cb -0.03 -3.81 0.20 0.00 1.25 0.00 0.00 42.46 40.07 1i1s s ILE 71 CO 0.07 -0.62 1.25 0.42 0.24 0.00 0.00 174.94 176.30 1i1s s THR 72 N -2.49 1.93 0.34 8.37 -4.23 -1.26 -4.69 115.64 113.61 1i1s s THR 72 Ca 0.44 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.03 1i1s s THR 72 Cb -0.10 -2.89 0.32 0.00 1.34 0.00 0.00 72.50 71.17 1i1s s THR 72 CO 0.39 0.00 1.84 1.23 -0.54 0.00 0.00 174.62 177.54 1i1s h GLY 73 N -1.73 1.38 0.70 3.99 0.00 -1.98 -2.24 103.07 103.19 1i1s h GLY 73 Ca -0.45 -0.32 0.03 0.00 0.00 0.00 0.00 47.33 46.59 1i1s h GLY 73 CO 0.43 0.05 -0.01 0.83 0.00 0.00 0.00 176.54 177.84 1i1s h GLU 74 N 0.73 0.05 -0.34 4.80 3.07 -1.97 0.24 114.58 121.15 1i1s h GLU 74 Ca 0.49 -0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.38 1i1s h GLU 74 Cb 0.78 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.65 1i1s h GLU 74 CO -0.25 0.03 0.14 0.00 -1.40 0.00 0.00 179.01 177.53 1i1s h ALA 75 N 1.17 0.41 -0.83 3.43 0.00 -1.87 -2.72 119.26 118.84 1i1s h ALA 75 Ca 0.09 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.17 1i1s h ALA 75 Cb 0.12 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1i1s h ALA 75 CO -0.16 -0.25 0.54 1.96 0.00 0.00 0.00 179.25 181.34 1i1s h GLN 76 N 0.29 0.55 -0.28 0.00 4.20 -0.39 0.58 115.11 120.07 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 27.75 1i1s h GLN 76 CO -0.14 0.37 -0.05 0.22 -0.67 0.00 0.00 178.83 178.56 1i1s h ASP 77 N 0.57 0.52 -0.24 1.46 1.82 -0.98 -2.59 116.42 116.97 1i1s h ASP 77 Ca 0.41 -0.35 -0.01 0.00 -0.39 0.00 0.00 57.03 56.69 1i1s h ASP 77 Cb 0.77 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.63 1i1s h ASP 77 CO -0.16 0.75 0.11 0.40 -1.61 0.00 0.00 179.24 178.72 1i1s h ILE 78 N 0.28 1.15 -0.29 2.25 1.08 0.25 -1.88 117.51 120.36 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 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 1i1s h ILE 78 CO 0.02 0.15 0.08 0.40 -0.69 0.00 0.00 178.15 178.12 1i1s h ILE 79 N 0.24 1.20 -0.34 -0.67 1.08 -0.50 0.38 117.51 118.91 1i1s h ILE 79 Ca 0.08 -0.66 0.02 0.00 -0.39 0.00 0.00 64.86 63.90 1i1s h ILE 79 Cb 0.15 1.10 -0.02 0.00 -3.07 0.00 0.00 36.82 34.97 1i1s h ILE 79 CO -0.01 0.22 0.19 0.28 -0.69 0.00 0.00 178.15 178.14 1i1s h SER 80 N 0.30 0.30 -0.22 1.72 0.02 -1.42 0.11 113.55 114.37 1i1s h SER 80 Ca 0.09 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 1i1s h SER 80 Cb 0.26 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1i1s h SER 80 CO -0.00 0.22 -0.12 -1.13 -1.14 0.00 0.00 176.83 174.66 1i1s h ASN 81 N 0.39 0.49 -0.17 3.07 -1.24 -1.20 -2.78 115.58 114.14 1i1s h ASN 81 Ca 0.14 -0.42 -0.03 0.00 0.71 0.00 0.00 56.30 56.70 1i1s h ASN 81 Cb 0.02 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 1i1s h ASN 81 CO -0.07 0.80 0.00 0.00 -1.29 0.00 0.00 177.43 176.87 1i1s h ALA 82 N 0.71 0.23 -0.94 1.57 0.00 -0.04 0.14 119.26 120.92 1i1s h ALA 82 Ca 0.05 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.88 1i1s h ALA 82 Cb 0.62 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1i1s h ALA 82 CO 0.03 -0.06 0.60 0.00 0.00 0.00 0.00 179.25 179.82 1i1s h ALA 83 N 0.77 1.64 -0.84 0.00 0.00 -0.87 0.32 119.26 120.27 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 0.38 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1i1s h ALA 83 CO 0.01 0.14 0.45 1.15 0.00 0.00 0.00 179.25 181.00 1i1s h THR 84 N 0.88 1.25 -0.83 0.00 2.02 -1.13 0.50 112.91 115.61 1i1s h THR 84 Ca 0.46 -0.64 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1i1s h THR 84 Cb 0.52 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 1i1s h THR 84 CO -0.22 0.28 0.42 -0.07 0.37 0.00 0.00 175.52 176.31 1i1s h LEU 85 N 1.19 1.07 -0.88 2.58 3.38 0.15 0.39 115.31 123.19 1i1s h LEU 85 Ca 0.30 -0.12 0.16 0.00 0.09 0.00 0.00 57.88 58.30 1i1s h LEU 85 Cb 0.05 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 40.43 1i1s h LEU 85 CO -0.05 0.88 0.46 0.22 0.09 0.00 0.00 178.44 180.05 1i1s h TYR 86 N 1.17 0.80 -0.44 1.13 5.03 -0.28 -3.11 116.97 121.28 1i1s h TYR 86 Ca 0.29 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.62 1i1s h TYR 86 Cb 0.08 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.12 1i1s h TYR 86 CO 0.01 0.18 0.23 0.00 -1.32 0.00 0.00 178.16 177.25 1i1s h ALA 87 N 1.58 0.56 -0.74 1.82 0.00 0.42 0.13 119.26 123.04 1i1s h ALA 87 Ca 0.49 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.35 1i1s h ALA 87 Cb 0.71 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1i1s h ALA 87 CO -0.37 0.10 0.44 -0.56 0.00 0.00 0.00 179.25 178.86 1i1s h GLN 88 N 0.57 0.81 0.00 0.00 3.07 -0.98 -3.07 115.11 115.50 1i1s h GLN 88 Ca 0.15 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 58.81 1i1s h GLN 88 Cb 0.09 -0.18 -0.00 0.00 0.08 0.00 0.00 27.48 27.46 1i1s h GLN 88 CO -0.02 0.53 -0.93 0.39 0.09 0.00 0.00 178.83 178.89 1i1s n GLU 89 N -4.70 0.44 0.32 0.06 -0.58 -1.09 -4.65 120.64 110.44 1i1s n GLU 89 Ca 0.09 0.17 -0.16 0.00 -0.42 0.00 0.00 57.16 56.85 1i1s n GLU 89 Cb 0.15 -1.26 -0.08 0.00 -0.57 0.00 0.00 31.44 29.67 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 -0.82 -0.69 -4.79 1.62 -1.24 -0.96 -3.39 115.58 105.31 1i1s h ASN 90 Ca -0.04 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.94 1i1s h ASN 90 Cb 0.87 0.18 0.00 0.00 0.73 0.00 0.00 38.32 40.10 1i1s h ASN 90 CO -0.03 -0.39 -0.22 0.00 -1.29 0.00 0.00 177.43 175.50 1i1s n ALA 91 N -2.55 -2.69 0.16 1.57 0.00 -0.72 -4.14 120.51 112.15 1i1s n ALA 91 Ca -0.12 0.52 -0.15 0.00 0.00 0.00 0.00 53.44 53.68 1i1s n ALA 91 Cb 0.35 -2.17 -0.08 0.00 0.00 0.00 0.00 19.45 17.56 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 1.02 -0.71 0.00 0.00 0.11 -1.87 -2.11 132.00 128.44 1i1s h PRO 92 Ca 0.00 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1i1s h PRO 92 Cb 0.87 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1i1s h PRO 92 CO 0.19 -0.47 -0.16 0.39 -0.21 0.00 0.00 178.00 177.74 1i1s n GLU 93 N -5.48 0.08 0.00 1.05 -0.58 -1.26 -4.80 120.64 109.65 1i1s n GLU 93 Ca -0.08 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1i1s n GLU 93 Cb 0.39 -0.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.78 1i1s n GLU 93 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1i1s n LEU 94 N -2.96 0.00 0.07 -4.62 0.00 -1.26 -3.32 117.00 104.91 1i1s n LEU 94 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.99 1i1s n LEU 94 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.50 1i1s n LEU 94 CO 0.03 0.00 -0.04 -0.11 0.00 0.00 0.00 177.39 177.27 1i1s n LEU 95 N 0.00 0.73 0.00 -1.96 -0.00 -1.18 -5.12 117.00 109.46 1i1s n LEU 95 Ca 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 56.01 56.21 1i1s n LEU 95 Cb 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.28 1i1s n LEU 95 CO 0.00 -0.70 0.00 1.17 -0.00 0.00 0.00 177.39 177.86