#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 0.25 7.83 2.88 -1.26 -4.55 113.62 118.76 1i1s n SER 2 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1i1s n SER 2 Cb 0.00 0.00 0.63 0.00 -0.75 0.00 0.00 64.21 64.09 1i1s n SER 2 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1i1s h LYS 3 N 0.00 0.00 -0.89 -1.46 -0.00 -1.99 -3.41 116.57 108.82 1i1s h LYS 3 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 60.65 60.69 1i1s h LYS 3 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 32.23 32.18 1i1s h LYS 3 CO 0.00 0.17 0.58 -0.39 -0.00 0.00 0.00 179.45 179.81 1i1s h VAL 4 N 0.00 1.14 -0.91 0.07 -1.51 -1.92 0.53 116.25 113.66 1i1s h VAL 4 Ca -0.00 -0.38 0.05 0.00 -1.23 0.00 0.00 66.70 65.14 1i1s h VAL 4 Cb 0.44 -0.05 -0.05 0.00 -2.13 0.00 0.00 31.29 29.49 1i1s h VAL 4 CO 0.02 0.20 0.59 0.74 -1.23 0.00 0.00 177.57 177.90 1i1s h THR 5 N 1.10 1.12 -0.63 7.19 2.02 -1.92 0.17 112.91 121.96 1i1s h THR 5 Ca 0.35 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1i1s h THR 5 Cb 0.03 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.34 1i1s h THR 5 CO -0.11 0.20 0.26 1.88 0.37 0.00 0.00 175.52 178.12 1i1s h TYR 6 N 1.10 0.92 -0.32 3.16 0.05 -0.25 0.32 116.97 121.96 1i1s h TYR 6 Ca 0.37 -0.05 0.03 0.00 0.05 0.00 0.00 58.73 59.13 1i1s h TYR 6 Cb 0.09 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 37.51 1i1s h TYR 6 CO -0.00 0.71 0.13 0.82 -1.05 0.00 0.00 178.16 178.76 1i1s h ILE 7 N 0.91 0.94 -0.95 -2.88 1.08 -0.18 0.60 117.51 117.02 1i1s h ILE 7 Ca 0.22 -0.09 0.09 0.00 -0.39 0.00 0.00 64.86 64.68 1i1s h ILE 7 Cb 0.17 0.64 -0.07 0.00 -3.07 0.00 0.00 36.82 34.48 1i1s h ILE 7 CO -0.02 0.05 0.60 0.40 -0.69 0.00 0.00 178.15 178.48 1i1s h ILE 8 N 0.27 0.98 0.11 -0.67 2.04 -0.45 0.82 117.51 120.61 1i1s h ILE 8 Ca 0.14 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1i1s h ILE 8 Cb 0.09 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.06 1i1s h ILE 8 CO -0.13 0.18 -0.05 0.50 0.00 0.00 0.00 178.15 178.66 1i1s h LYS 9 N 1.01 -0.14 -0.16 2.37 1.63 -0.26 0.35 116.57 121.36 1i1s h LYS 9 Ca 0.44 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 60.19 1i1s h LYS 9 Cb 0.33 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1i1s h LYS 9 CO -0.22 0.06 -0.13 0.00 -3.45 0.00 0.00 179.45 175.71 1i1s h ALA 10 N 0.55 0.24 -0.59 5.00 0.00 0.85 -2.51 119.26 122.79 1i1s h ALA 10 Ca -0.02 -0.31 0.11 0.00 0.00 0.00 0.00 54.91 54.70 1i1s h ALA 10 Cb 0.27 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.91 1i1s h ALA 10 CO 0.02 0.10 0.09 1.03 0.00 0.00 0.00 179.25 180.49 1i1s h SER 11 N 0.03 -0.08 0.00 0.00 0.87 -1.00 -3.47 113.55 109.90 1i1s h SER 11 Ca 0.03 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1i1s h SER 11 Cb 0.64 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1i1s h SER 11 CO 0.03 -0.03 0.00 -3.20 -0.53 0.00 0.00 176.83 173.10 1i1s n ASN 12 N -5.17 0.00 -3.88 6.23 2.85 -0.95 -4.78 115.26 109.56 1i1s n ASN 12 Ca 0.09 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.30 1i1s n ASN 12 Cb 0.32 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.35 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 -1.58 -0.05 1.20 2.03 0.10 -4.89 116.55 113.36 1i1s n ASP 13 Ca 0.00 -0.91 -0.04 0.00 0.52 0.00 0.00 54.79 54.36 1i1s n ASP 13 Cb 0.00 -3.51 -0.01 0.00 -0.72 0.00 0.00 41.12 36.88 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 -4.40 0.92 -0.65 5.18 0.31 -1.26 -5.06 118.33 113.37 1i1s n VAL 14 Ca -0.22 0.30 -0.28 0.00 -0.01 0.00 0.00 64.34 64.13 1i1s n VAL 14 Cb 0.64 -2.06 0.25 0.00 -0.91 0.00 0.00 33.84 31.76 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 -6.87 0.70 0.00 7.52 2.01 -1.26 -5.07 118.68 115.71 1i1s s LEU 15 Ca -0.13 1.35 0.01 0.00 0.01 0.00 0.00 54.13 55.37 1i1s s LEU 15 Cb 0.02 -3.23 0.01 0.00 0.01 0.00 0.00 46.19 43.00 1i1s s LEU 15 CO 0.19 -4.18 0.10 -0.46 1.01 0.00 0.00 176.35 173.01 1i1s n ASN 16 N -4.89 2.12 -0.06 2.29 0.23 -1.26 -4.86 115.26 108.83 1i1s n ASN 16 Ca 0.04 -1.88 -0.02 0.00 -0.53 0.00 0.00 54.58 52.19 1i1s n ASN 16 Cb 0.55 0.06 -0.02 0.00 -2.08 0.00 0.00 39.78 38.30 1i1s n ASN 16 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1i1s n GLU 17 N -0.84 -0.07 0.00 -3.83 4.71 -1.26 -0.36 120.64 118.99 1i1s n GLU 17 Ca -0.04 0.36 -0.12 0.00 -0.01 0.00 0.00 57.16 57.35 1i1s n GLU 17 Cb 0.27 -0.54 -0.08 0.00 -1.01 0.00 0.00 31.44 30.09 1i1s n GLU 17 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1i1s h LYS 18 N 0.00 0.06 -0.05 3.49 1.57 -1.95 0.43 116.57 120.11 1i1s h LYS 18 Ca 0.02 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 1i1s h LYS 18 Cb 0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1i1s h LYS 18 CO -0.14 0.26 -0.60 1.79 -0.57 0.00 0.00 179.45 180.18 1i1s h THR 19 N -0.14 1.40 -0.32 -0.16 1.35 -1.88 -0.83 112.91 112.33 1i1s h THR 19 Ca 0.01 -2.00 -0.01 0.00 -0.55 0.00 0.00 66.41 63.87 1i1s h THR 19 Cb 0.22 2.02 -0.02 0.00 -1.73 0.00 0.00 68.15 68.65 1i1s h THR 19 CO -0.00 0.58 0.17 0.00 -0.25 0.00 0.00 175.52 176.03 1i1s h ALA 20 N 1.24 0.41 -0.43 6.62 0.00 -0.40 0.18 119.26 126.89 1i1s h ALA 20 Ca -0.01 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1i1s h ALA 20 Cb 1.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1i1s h ALA 20 CO 0.09 -0.05 -0.16 0.00 0.00 0.00 0.00 179.25 179.13 1i1s h THR 21 N 0.40 1.27 0.07 0.00 1.03 -0.81 -1.74 112.91 113.12 1i1s h THR 21 Ca 0.11 -1.26 -0.00 0.00 -0.01 0.00 0.00 66.41 65.25 1i1s h THR 21 Cb 0.07 1.11 0.00 0.00 -1.07 0.00 0.00 68.15 68.26 1i1s h THR 21 CO -0.02 0.43 -0.03 0.40 -0.01 0.00 0.00 175.52 176.29 1i1s h ILE 22 N 0.72 1.19 -0.98 0.00 1.08 -1.00 0.05 117.51 118.57 1i1s h ILE 22 Ca 0.11 -0.97 0.19 0.00 -0.39 0.00 0.00 64.86 63.80 1i1s h ILE 22 Cb 0.67 1.82 -0.09 0.00 -3.07 0.00 0.00 36.82 36.15 1i1s h ILE 22 CO 0.05 0.24 0.61 0.25 -0.69 0.00 0.00 178.15 178.61 1i1s h LEU 23 N -0.53 0.70 -0.06 1.44 5.85 -0.70 -0.32 115.31 121.69 1i1s h LEU 23 Ca -0.01 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1i1s h LEU 23 Cb 0.46 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1i1s h LEU 23 CO 0.02 0.26 0.03 0.40 -0.34 0.00 0.00 178.44 178.81 1i1s h ILE 24 N 0.69 1.05 -0.46 4.05 1.08 -1.01 0.45 117.51 123.37 1i1s h ILE 24 Ca 0.55 -0.15 0.02 0.00 -0.39 0.00 0.00 64.86 64.89 1i1s h ILE 24 Cb 0.95 1.05 -0.03 0.00 -3.07 0.00 0.00 36.82 35.71 1i1s h ILE 24 CO -0.32 0.05 0.27 0.74 -0.69 0.00 0.00 178.15 178.19 1i1s h THR 25 N 0.03 1.05 0.02 -0.27 2.02 0.69 0.20 112.91 116.65 1i1s h THR 25 Ca 0.02 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1i1s h THR 25 Cb 0.04 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1i1s h THR 25 CO -0.00 0.10 -0.01 0.40 0.37 0.00 0.00 175.52 176.38 1i1s h ILE 26 N 0.54 1.03 -0.56 3.11 2.04 -1.34 -3.15 117.51 119.18 1i1s h ILE 26 Ca 0.18 -0.14 0.10 0.00 1.00 0.00 0.00 64.86 66.00 1i1s h ILE 26 Cb 0.01 1.13 -0.08 0.00 -0.74 0.00 0.00 36.82 37.14 1i1s h ILE 26 CO -0.08 0.04 0.12 0.00 0.00 0.00 0.00 178.15 178.23 1i1s h ALA 27 N 0.90 0.65 0.70 1.87 0.00 0.22 -1.01 119.26 122.59 1i1s h ALA 27 Ca -0.00 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1i1s h ALA 27 Cb 0.07 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1i1s h ALA 27 CO 0.00 -0.30 -0.50 0.87 0.00 0.00 0.00 179.25 179.33 1i1s h LYS 28 N 0.26 -1.10 -5.45 0.00 1.57 -0.84 -3.43 116.57 107.59 1i1s h LYS 28 Ca 0.29 0.07 -0.63 0.00 -1.87 0.00 0.00 60.65 58.52 1i1s h LYS 28 Cb 0.40 0.25 -0.13 0.00 0.08 0.00 0.00 32.23 32.83 1i1s h LYS 28 CO -0.36 -0.73 0.11 0.21 -0.57 0.00 0.00 179.45 178.11 1i1s s LYS 29 N -5.88 3.81 -0.42 3.15 2.20 -0.38 -4.99 119.74 117.22 1i1s s LYS 29 Ca -0.19 0.16 -0.25 0.00 -0.36 0.00 0.00 55.97 55.34 1i1s s LYS 29 Cb 0.03 -3.76 0.02 0.00 -1.51 0.00 0.00 37.83 32.62 1i1s s LYS 29 CO 0.60 -0.62 0.87 -0.51 -0.36 0.00 0.00 175.35 175.33 1i1s s ASP 30 N 1.70 6.53 -1.00 1.43 1.01 -1.26 -1.84 116.67 123.24 1i1s s ASP 30 Ca 0.24 0.21 -0.06 0.00 0.71 0.00 0.00 52.55 53.64 1i1s s ASP 30 Cb -0.15 -2.43 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 1i1s s ASP 30 CO 0.13 -0.93 0.87 0.49 0.21 0.00 0.00 175.17 175.93 1i1s n PHE 31 N 6.88 -2.51 0.00 4.23 3.01 -1.24 -5.05 117.46 122.79 1i1s n PHE 31 Ca 0.05 0.87 0.00 0.00 1.01 0.00 0.00 57.45 59.38 1i1s n PHE 31 Cb 0.48 -4.05 0.00 0.00 -0.01 0.00 0.00 39.48 35.90 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 -3.05 0.00 -4.17 4.37 3.06 -0.76 -4.86 119.36 113.95 1i1s n ILE 32 Ca -0.06 0.00 -0.17 0.00 -2.50 0.00 0.00 62.75 60.02 1i1s n ILE 32 Cb 0.60 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.72 1i1s n ILE 32 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1i1s s THR 33 N -0.13 0.00 0.35 9.51 -4.23 -1.26 -3.80 115.64 116.07 1i1s s THR 33 Ca 0.00 -1.76 0.10 0.00 -1.18 0.00 0.00 61.69 58.85 1i1s s THR 33 Cb 0.00 -2.60 0.33 0.00 1.34 0.00 0.00 72.50 71.57 1i1s s THR 33 CO 0.00 0.00 1.83 0.00 -0.54 0.00 0.00 174.62 175.91 1i1s h ALA 34 N 2.11 1.86 -0.08 3.99 0.00 -1.94 -1.58 119.26 123.63 1i1s h ALA 34 Ca -0.27 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1i1s h ALA 34 Cb 1.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1i1s h ALA 34 CO 0.38 -0.16 -0.02 0.00 0.00 0.00 0.00 179.25 179.44 1i1s h ALA 35 N 1.61 0.05 -0.68 0.00 0.00 -1.99 0.58 119.26 118.82 1i1s h ALA 35 Ca 0.50 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.43 1i1s h ALA 35 Cb 0.90 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1i1s h ALA 35 CO -0.26 -0.49 0.36 1.49 0.00 0.00 0.00 179.25 180.34 1i1s h GLU 36 N -0.01 0.96 -0.94 0.00 4.81 -1.84 0.34 114.58 117.91 1i1s h GLU 36 Ca 0.04 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1i1s h GLU 36 Cb 0.07 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.21 1i1s h GLU 36 CO -0.08 0.74 0.62 0.28 -0.73 0.00 0.00 179.01 179.84 1i1s h VAL 37 N 0.94 1.23 -0.63 0.32 2.07 -1.03 0.49 116.25 119.65 1i1s h VAL 37 Ca 0.24 -0.43 0.07 0.00 0.82 0.00 0.00 66.70 67.39 1i1s h VAL 37 Cb 0.07 -0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 29.63 1i1s h VAL 37 CO -0.04 0.23 0.32 0.03 0.02 0.00 0.00 177.57 178.14 1i1s h ARG 38 N 1.27 0.58 -0.27 1.57 3.08 -0.41 -3.30 114.38 116.89 1i1s h ARG 38 Ca 0.35 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 60.20 1i1s h ARG 38 Cb -0.13 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.79 1i1s h ARG 38 CO -0.08 0.38 -0.47 0.93 -1.07 0.00 0.00 179.97 179.66 1i1s h GLU 39 N 0.59 0.79 0.18 0.04 4.39 0.39 -3.12 114.58 117.85 1i1s h GLU 39 Ca 0.29 -0.49 0.01 0.00 0.34 0.00 0.00 59.36 59.51 1i1s h GLU 39 Cb 0.23 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1i1s h GLU 39 CO -0.21 1.12 -0.32 -0.24 -1.16 0.00 0.00 179.01 178.21 1i1s h VAL 40 N 0.54 0.33 -2.16 3.13 3.04 -0.49 -3.45 116.25 117.18 1i1s h VAL 40 Ca 0.02 0.00 -0.59 0.00 -1.01 0.00 0.00 66.70 65.12 1i1s h VAL 40 Cb 1.08 0.33 0.03 0.00 -2.01 0.00 0.00 31.29 30.71 1i1s h VAL 40 CO 0.11 0.00 1.08 0.00 -1.01 0.00 0.00 177.57 177.75 1i1s n HIS 41 N -5.42 2.38 0.47 3.17 1.44 -1.18 -4.88 115.22 111.20 1i1s n HIS 41 Ca -0.07 -0.04 -0.18 0.00 -2.01 0.00 0.00 57.72 55.41 1i1s n HIS 41 Cb 0.33 -2.68 -0.09 0.00 0.12 0.00 0.00 29.99 27.68 1i1s n HIS 41 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 1i1s h PRO 42 N 8.89 -1.14 -1.00 -1.40 0.11 -1.92 -3.44 132.00 132.10 1i1s h PRO 42 Ca -0.48 0.08 -0.36 0.00 0.11 0.00 0.00 66.00 65.35 1i1s h PRO 42 Cb 1.26 0.26 -0.36 0.00 0.11 0.00 0.00 31.00 32.27 1i1s h PRO 42 CO 0.94 -0.76 -1.06 -3.47 -0.21 0.00 0.00 178.00 173.44 1i1s n ASP 43 N -5.20 0.74 -0.04 -2.05 2.03 -1.26 -4.69 116.55 106.08 1i1s n ASP 43 Ca -0.15 -2.77 -0.02 0.00 0.52 0.00 0.00 54.79 52.38 1i1s n ASP 43 Cb 0.47 -0.24 -0.01 0.00 -0.72 0.00 0.00 41.12 40.62 1i1s n ASP 43 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1i1s h LEU 44 N 2.86 0.00 0.00 -2.67 4.07 -1.97 -3.49 115.31 114.11 1i1s h LEU 44 Ca -0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.87 1i1s h LEU 44 Cb 1.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.90 1i1s h LEU 44 CO 0.41 0.40 0.00 0.61 -1.08 0.00 0.00 178.44 178.78 1i1s n GLY 45 N 1.71 3.36 0.21 0.83 0.00 -1.26 -4.73 105.19 105.31 1i1s n GLY 45 Ca -0.03 -1.11 -0.01 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.06 -0.32 1.61 -1.07 -1.95 0.64 115.58 114.43 1i1s h ASN 46 Ca 0.00 0.11 -0.02 0.00 0.07 0.00 0.00 56.30 56.46 1i1s h ASN 46 Cb 0.00 0.16 -0.01 0.00 -2.07 0.00 0.00 38.32 36.40 1i1s h ASN 46 CO 0.00 -0.01 0.14 0.00 0.07 0.00 0.00 177.43 177.63 1i1s h ALA 47 N 1.45 0.42 -0.57 4.14 0.00 -2.01 -2.50 119.26 120.18 1i1s h ALA 47 Ca 0.28 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1i1s h ALA 47 Cb 0.41 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1i1s h ALA 47 CO -0.39 -0.01 0.20 -0.39 0.00 0.00 0.00 179.25 178.66 1i1s h VAL 48 N 0.38 1.22 -0.64 0.00 -1.51 -1.25 -2.92 116.25 111.52 1i1s h VAL 48 Ca 0.11 -0.71 -0.03 0.00 -1.23 0.00 0.00 66.70 64.84 1i1s h VAL 48 Cb 0.15 0.57 -0.03 0.00 -2.13 0.00 0.00 31.29 29.85 1i1s h VAL 48 CO -0.01 0.28 0.30 0.58 -1.23 0.00 0.00 177.57 177.48 1i1s h VAL 49 N 0.82 1.22 -0.51 7.19 2.07 0.54 0.59 116.25 128.19 1i1s h VAL 49 Ca 0.19 -0.65 0.08 0.00 0.82 0.00 0.00 66.70 67.15 1i1s h VAL 49 Cb 0.21 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.37 1i1s h VAL 49 CO -0.01 0.26 0.12 -1.13 0.02 0.00 0.00 177.57 176.83 1i1s h ASN 50 N 0.89 0.05 -0.56 0.57 -0.73 -1.43 -2.62 115.58 111.76 1i1s h ASN 50 Ca 0.22 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.44 1i1s h ASN 50 Cb 0.14 0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.80 1i1s h ASN 50 CO -0.03 0.05 0.23 -1.28 -0.37 0.00 0.00 177.43 176.04 1i1s h SER 51 N 0.27 0.76 -0.40 1.15 0.87 -0.51 -2.73 113.55 112.96 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 0.33 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1i1s h SER 51 CO -0.31 0.72 -0.23 0.78 -0.53 0.00 0.00 176.83 177.25 1i1s h ASN 52 N 0.76 0.93 -0.05 6.23 2.35 0.22 0.44 115.58 126.46 1i1s h ASN 52 Ca 0.19 -0.35 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1i1s h ASN 52 Cb 0.19 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 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 -0.80 2.81 2.04 -1.54 -2.58 117.51 119.50 1i1s h ILE 53 Ca 0.10 -0.88 0.03 0.00 1.00 0.00 0.00 64.86 65.11 1i1s h ILE 53 Cb 0.79 1.77 -0.05 0.00 -0.74 0.00 0.00 36.82 38.60 1i1s h ILE 53 CO 0.07 0.24 0.52 1.23 0.00 0.00 0.00 178.15 180.20 1i1s h GLY 54 N -0.24 1.16 1.47 5.37 0.00 -1.20 0.32 103.07 109.95 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 -0.30 -0.24 0.00 0.00 0.00 176.54 176.35 1i1s h VAL 55 N 1.01 1.28 -0.44 4.60 3.04 -0.16 0.58 116.25 126.16 1i1s h VAL 55 Ca 0.32 -1.40 0.07 0.00 -1.01 0.00 0.00 66.70 64.68 1i1s h VAL 55 Cb -0.01 1.38 -0.06 0.00 -2.01 0.00 0.00 31.29 30.59 1i1s h VAL 55 CO -0.11 0.45 0.11 -0.07 -1.01 0.00 0.00 177.57 176.94 1i1s h LEU 56 N 0.52 0.05 -0.66 3.16 4.07 -1.23 -2.83 115.31 118.38 1i1s h LEU 56 Ca 0.06 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 1i1s h LEU 56 Cb 0.77 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.56 1i1s h LEU 56 CO 0.06 0.06 0.32 0.40 -1.08 0.00 0.00 178.44 178.20 1i1s h ILE 57 N 0.25 1.22 0.00 1.22 1.08 0.14 0.71 117.51 122.13 1i1s h ILE 57 Ca 0.21 -0.63 -0.05 0.00 -0.39 0.00 0.00 64.86 64.01 1i1s h ILE 57 Cb 0.25 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 1i1s h ILE 57 CO -0.26 0.26 -0.23 0.07 -0.69 0.00 0.00 178.15 177.30 1i1s h LYS 58 N 0.92 0.00 0.03 2.37 5.09 0.06 -1.50 116.57 123.54 1i1s h LYS 58 Ca 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.97 1i1s h LYS 58 Cb 0.12 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.45 1i1s h LYS 58 CO -0.03 0.23 -0.02 0.87 -2.09 0.00 0.00 179.45 178.41 1i1s h LYS 59 N 0.00 -0.04 -3.61 0.07 1.57 -1.23 -3.50 116.57 109.83 1i1s h LYS 59 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1i1s h LYS 59 Cb 0.73 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.01 1i1s h LYS 59 CO 0.03 0.59 -0.49 0.41 -0.57 0.00 0.00 179.45 179.42 1i1s n GLY 60 N 0.77 -3.66 3.13 3.86 0.00 0.62 -5.05 105.19 104.86 1i1s n GLY 60 Ca -0.09 0.28 0.02 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.22 -1.51 -0.00 0.99 2.34 0.21 -4.94 118.68 115.55 1i1s s LEU 61 Ca -0.09 -0.09 -0.12 0.00 0.06 0.00 0.00 54.13 53.89 1i1s s LEU 61 Cb 0.01 1.91 0.01 0.00 -0.56 0.00 0.00 46.19 47.56 1i1s s LEU 61 CO 0.25 -0.28 0.25 0.54 -1.06 0.00 0.00 176.35 176.05 1i1s s VAL 62 N 2.58 0.07 -0.23 1.48 0.11 -1.17 -4.62 120.40 118.62 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 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1i1s s VAL 62 CO -0.22 -0.31 0.06 -1.61 -3.33 0.00 0.00 175.10 169.68 1i1s s GLU 63 N -1.44 3.70 -0.35 1.54 2.02 0.14 -4.17 118.70 120.15 1i1s s GLU 63 Ca -0.13 -0.47 -0.28 0.00 0.02 0.00 0.00 54.97 54.11 1i1s s GLU 63 Cb -0.06 -3.26 0.02 0.00 0.10 0.00 0.00 34.13 30.93 1i1s s GLU 63 CO 0.03 -0.08 1.05 0.21 0.02 0.00 0.00 175.26 176.49 1i1s s LYS 64 N 1.31 3.99 -0.34 1.61 2.20 -1.26 -0.25 119.74 126.99 1i1s s LYS 64 Ca 0.05 0.91 -0.03 0.00 -0.36 0.00 0.00 55.97 56.54 1i1s s LYS 64 Cb -0.15 -3.77 0.07 0.00 -1.51 0.00 0.00 37.83 32.47 1i1s s LYS 64 CO 0.03 -0.96 0.09 0.45 -0.36 0.00 0.00 175.35 174.60 1i1s s SER 65 N 1.79 5.09 -0.86 1.43 0.15 0.14 -4.94 113.70 116.49 1i1s s SER 65 Ca 0.44 -1.51 -0.12 0.00 0.70 0.00 0.00 55.95 55.46 1i1s s SER 65 Cb -0.12 -1.78 0.23 0.00 -1.71 0.00 0.00 66.02 62.64 1i1s s SER 65 CO 0.18 -0.37 0.80 -0.83 1.20 0.00 0.00 173.24 174.22 1i1s s GLY 66 N 1.47 2.76 -0.42 9.45 0.00 -1.26 -0.30 107.32 119.03 1i1s s GLY 66 Ca 0.00 -3.43 0.09 0.00 0.00 0.00 0.00 44.72 41.38 1i1s s GLY 66 CO -0.01 1.26 0.89 1.22 0.00 0.00 0.00 173.10 176.46 1i1s n ASP 67 N 3.67 -0.86 -3.35 1.64 8.00 -1.26 -5.15 116.55 119.25 1i1s n ASP 67 Ca 0.15 -3.31 -0.13 0.00 0.71 0.00 0.00 54.79 52.21 1i1s n ASP 67 Cb 0.45 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 1.17 -0.11 0.44 0.00 0.59 -4.75 107.32 102.88 1i1s s GLY 68 Ca 0.31 -1.31 -0.07 0.00 0.00 0.00 0.00 44.72 43.65 1i1s s GLY 68 CO -0.08 -0.85 0.15 1.08 0.00 0.00 0.00 173.10 173.40 1i1s s LEU 69 N -3.18 4.39 -0.04 0.66 1.43 -1.25 0.23 118.68 120.93 1i1s s LEU 69 Ca 0.27 0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 53.63 1i1s s LEU 69 Cb -0.01 -2.11 0.04 0.00 0.03 0.00 0.00 46.19 44.14 1i1s s LEU 69 CO 0.17 0.40 0.48 0.27 0.23 0.00 0.00 176.35 177.90 1i1s s ILE 70 N -1.05 0.03 0.19 -0.59 -4.36 0.66 -3.59 121.20 112.49 1i1s s ILE 70 Ca 0.16 -0.25 -0.05 0.00 -0.26 0.00 0.00 60.65 60.25 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 0.05 -0.14 0.44 0.27 0.24 0.00 0.00 174.94 175.80 1i1s s ILE 71 N -1.19 5.10 0.78 8.37 -4.36 -1.26 0.28 121.20 128.90 1i1s s ILE 71 Ca -0.12 0.10 -0.12 0.00 -0.26 0.00 0.00 60.65 60.25 1i1s s ILE 71 Cb -0.03 -3.65 0.06 0.00 1.25 0.00 0.00 42.46 40.09 1i1s s ILE 71 CO 0.07 -0.05 1.13 0.42 0.24 0.00 0.00 174.94 176.74 1i1s s THR 72 N -1.77 2.81 0.59 8.37 -4.23 -1.26 -4.72 115.64 115.42 1i1s s THR 72 Ca 0.43 0.26 0.28 0.00 -1.18 0.00 0.00 61.69 61.48 1i1s s THR 72 Cb -0.12 -3.18 0.37 0.00 1.34 0.00 0.00 72.50 70.91 1i1s s THR 72 CO 0.25 -0.34 2.01 1.23 -0.54 0.00 0.00 174.62 177.23 1i1s h GLY 73 N -0.95 0.00 0.70 3.99 0.00 -1.99 -0.38 103.07 104.44 1i1s h GLY 73 Ca -0.46 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.89 1i1s h GLY 73 CO 0.63 0.00 -0.13 0.83 0.00 0.00 0.00 176.54 177.87 1i1s h GLU 74 N 0.00 -0.23 -0.40 4.80 5.08 -1.97 -2.09 114.58 119.78 1i1s h GLU 74 Ca 0.15 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1i1s h GLU 74 Cb 0.80 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 1i1s h GLU 74 CO -0.00 -0.15 0.18 0.00 -1.00 0.00 0.00 179.01 178.04 1i1s h ALA 75 N 0.70 0.49 -0.83 3.43 0.00 -1.42 -2.49 119.26 119.14 1i1s h ALA 75 Ca 0.04 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.12 1i1s h ALA 75 Cb 0.28 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1i1s h ALA 75 CO -0.12 -0.19 0.54 1.96 0.00 0.00 0.00 179.25 181.44 1i1s h GLN 76 N 0.37 0.55 -0.27 0.00 4.20 -0.97 0.59 115.11 119.58 1i1s h GLN 76 Ca 0.18 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 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 0.37 -0.05 0.22 -0.67 0.00 0.00 178.83 178.55 1i1s h ASP 77 N 0.57 0.51 -0.24 1.46 1.82 -1.11 -2.55 116.42 116.89 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 0.74 0.10 0.40 -1.61 0.00 0.00 179.24 178.71 1i1s h ILE 78 N 0.27 1.16 -0.29 2.25 1.08 0.39 -0.91 117.51 121.45 1i1s h ILE 78 Ca 0.07 -0.49 -0.02 0.00 -0.39 0.00 0.00 64.86 64.03 1i1s h ILE 78 Cb 0.51 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 1i1s h ILE 78 CO 0.02 0.16 0.09 0.40 -0.69 0.00 0.00 178.15 178.14 1i1s h ILE 79 N 0.24 1.20 -0.39 -0.67 1.08 -0.45 0.42 117.51 118.94 1i1s h ILE 79 Ca 0.08 -0.64 0.02 0.00 -0.39 0.00 0.00 64.86 63.93 1i1s h ILE 79 Cb 0.16 1.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.96 1i1s h ILE 79 CO -0.01 0.21 0.22 0.28 -0.69 0.00 0.00 178.15 178.17 1i1s h SER 80 N 0.31 0.36 -0.20 1.72 0.02 -1.35 0.16 113.55 114.56 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 0.24 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 1i1s h SER 80 CO -0.00 0.26 -0.15 -1.13 -1.14 0.00 0.00 176.83 174.66 1i1s h ASN 81 N 0.46 0.49 -0.10 3.07 -0.73 -1.03 -2.63 115.58 115.10 1i1s h ASN 81 Ca 0.16 -0.45 -0.02 0.00 1.87 0.00 0.00 56.30 57.86 1i1s h ASN 81 Cb 0.02 -0.14 -0.00 0.00 0.27 0.00 0.00 38.32 38.47 1i1s h ASN 81 CO -0.08 0.83 -0.00 0.00 -0.37 0.00 0.00 177.43 177.81 1i1s h ALA 82 N 0.67 0.14 -0.93 1.57 0.00 -0.00 0.37 119.26 121.08 1i1s h ALA 82 Ca 0.04 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.89 1i1s h ALA 82 Cb 0.67 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1i1s h ALA 82 CO 0.04 -0.17 0.60 0.00 0.00 0.00 0.00 179.25 179.71 1i1s h ALA 83 N 0.74 1.66 -0.80 0.00 0.00 -0.78 0.35 119.26 120.43 1i1s h ALA 83 Ca 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1i1s h ALA 83 Cb 0.35 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1i1s h ALA 83 CO 0.01 0.11 0.42 1.15 0.00 0.00 0.00 179.25 180.94 1i1s h THR 84 N 0.86 1.24 -0.66 0.00 2.02 -1.03 0.70 112.91 116.03 1i1s h THR 84 Ca 0.46 -0.62 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 1i1s h THR 84 Cb 0.54 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1i1s h THR 84 CO -0.22 0.27 0.17 -0.07 0.37 0.00 0.00 175.52 176.04 1i1s h LEU 85 N 1.12 0.97 -0.60 2.58 3.38 0.17 0.49 115.31 123.42 1i1s h LEU 85 Ca 0.28 -0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.17 1i1s h LEU 85 Cb 0.06 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 40.47 1i1s h LEU 85 CO -0.04 0.93 0.13 0.22 0.09 0.00 0.00 178.44 179.77 1i1s h TYR 86 N 0.98 0.20 -0.42 1.13 5.03 -0.45 -3.27 116.97 120.17 1i1s h TYR 86 Ca 0.21 0.04 -0.08 0.00 2.58 0.00 0.00 58.73 61.47 1i1s h TYR 86 Cb 0.34 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.60 1i1s h TYR 86 CO 0.02 -0.03 -0.07 0.00 -1.32 0.00 0.00 178.16 176.76 1i1s h ALA 87 N 1.48 1.09 -1.00 1.82 0.00 0.49 0.19 119.26 123.33 1i1s h ALA 87 Ca 0.31 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1i1s h ALA 87 Cb 0.47 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 1i1s h ALA 87 CO -0.40 0.57 0.63 -0.56 0.00 0.00 0.00 179.25 179.49 1i1s h GLN 88 N 0.67 1.04 0.00 0.00 3.07 -0.62 -2.11 115.11 117.16 1i1s h GLN 88 Ca 0.12 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.80 1i1s h GLN 88 Cb 0.52 -0.24 0.00 0.00 0.08 0.00 0.00 27.48 27.84 1i1s h GLN 88 CO 0.03 0.69 -0.98 0.39 0.09 0.00 0.00 178.83 179.05 1i1s n GLU 89 N -4.57 0.00 0.18 0.06 -0.58 -0.70 -4.39 120.64 110.64 1i1s n GLU 89 Ca 0.17 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.84 1i1s n GLU 89 Cb 0.27 -0.76 -0.03 0.00 -0.57 0.00 0.00 31.44 30.35 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 0.00 -0.39 -5.70 1.62 2.35 -0.88 -3.49 115.58 109.09 1i1s h ASN 90 Ca 0.00 0.01 -0.20 0.00 -0.55 0.00 0.00 56.30 55.57 1i1s h ASN 90 Cb 0.98 0.10 0.07 0.00 0.05 0.00 0.00 38.32 39.52 1i1s h ASN 90 CO 0.00 -0.26 -0.51 0.00 -1.65 0.00 0.00 177.43 175.01 1i1s n ALA 91 N -2.27 -2.54 0.03 -0.83 0.00 -0.79 -4.81 120.51 109.30 1i1s n ALA 91 Ca -0.06 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.23 1i1s n ALA 91 Cb 0.18 -2.97 -0.05 0.00 0.00 0.00 0.00 19.45 16.61 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 -0.43 -0.43 -1.44 0.00 0.10 -1.88 -3.34 132.00 124.59 1i1s h PRO 92 Ca -0.35 0.03 -0.44 0.00 0.10 0.00 0.00 66.00 65.35 1i1s h PRO 92 Cb 1.19 0.10 -0.33 0.00 0.10 0.00 0.00 31.00 32.06 1i1s h PRO 92 CO 0.37 -0.28 -0.96 0.39 0.10 0.00 0.00 178.00 177.62 1i1s n GLU 93 N -5.41 0.87 0.13 1.05 1.02 -1.26 -4.85 120.64 112.19 1i1s n GLU 93 Ca -0.04 -2.90 0.00 0.00 -0.02 0.00 0.00 57.16 54.20 1i1s n GLU 93 Cb 0.33 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 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 0.83 -2.36 -2.67 -4.62 4.77 -1.26 -5.07 117.00 106.63 1i1s n LEU 94 Ca 0.19 0.52 -0.05 0.00 -0.03 0.00 0.00 56.01 56.64 1i1s n LEU 94 Cb 0.62 2.40 0.04 0.00 -2.33 0.00 0.00 43.42 44.14 1i1s n LEU 94 CO 0.15 -0.03 0.60 -0.11 -1.33 0.00 0.00 177.39 176.67 1i1s n LEU 95 N -3.02 -1.40 -0.62 2.23 -0.00 -1.25 -5.10 117.00 107.85 1i1s n LEU 95 Ca 0.00 -2.32 0.13 0.00 -0.00 0.00 0.00 56.01 53.83 1i1s n LEU 95 Cb 0.00 0.65 0.40 0.00 -0.00 0.00 0.00 43.42 44.47 1i1s n LEU 95 CO 0.00 1.41 0.80 2.29 -0.00 0.00 0.00 177.39 181.90