#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1s h SER 2 N 0.00 -0.61 0.19 7.83 0.02 -2.03 -3.39 113.55 115.56 1i1s h SER 2 Ca 0.00 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1i1s h SER 2 Cb 0.00 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1i1s h SER 2 CO 0.00 -0.38 -0.09 0.50 -1.14 0.00 0.00 176.83 175.72 1i1s h LYS 3 N -0.81 -0.24 -0.89 3.45 3.64 -1.98 -3.27 116.57 116.46 1i1s h LYS 3 Ca -0.07 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1i1s h LYS 3 Cb 0.59 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.42 1i1s h LYS 3 CO 0.12 -0.01 0.58 -0.39 -2.27 0.00 0.00 179.45 177.48 1i1s h VAL 4 N -0.45 1.17 -0.90 2.00 -1.51 -1.90 0.33 116.25 114.99 1i1s h VAL 4 Ca -0.03 -0.39 0.03 0.00 -1.23 0.00 0.00 66.70 65.08 1i1s h VAL 4 Cb 0.34 -0.08 -0.05 0.00 -2.13 0.00 0.00 31.29 29.37 1i1s h VAL 4 CO 0.04 0.21 0.59 0.00 -1.23 0.00 0.00 177.57 177.19 1i1s h THR 5 N 1.15 1.16 -0.79 7.19 1.03 -1.75 0.27 112.91 121.16 1i1s h THR 5 Ca 0.35 -0.39 0.01 0.00 -0.01 0.00 0.00 66.41 66.37 1i1s h THR 5 Cb -0.03 -0.08 -0.04 0.00 -1.07 0.00 0.00 68.15 66.92 1i1s h THR 5 CO -0.11 0.21 0.53 1.88 -0.01 0.00 0.00 175.52 178.02 1i1s h TYR 6 N 1.14 0.99 -0.50 0.00 0.05 -1.03 0.22 116.97 117.84 1i1s h TYR 6 Ca 0.36 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.15 1i1s h TYR 6 Cb 0.00 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.38 1i1s h TYR 6 CO -0.00 0.61 0.29 0.82 -1.05 0.00 0.00 178.16 178.83 1i1s h ILE 7 N 1.06 1.16 -0.20 -2.88 1.08 0.26 0.35 117.51 118.35 1i1s h ILE 7 Ca 0.30 -0.40 0.04 0.00 -0.39 0.00 0.00 64.86 64.41 1i1s h ILE 7 Cb -0.10 0.52 -0.04 0.00 -3.07 0.00 0.00 36.82 34.13 1i1s h ILE 7 CO -0.07 0.17 -0.06 0.40 -0.69 0.00 0.00 178.15 177.91 1i1s h ILE 8 N 0.67 0.79 -0.16 -0.67 2.04 -0.25 0.71 117.51 120.64 1i1s h ILE 8 Ca 0.18 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.08 1i1s h ILE 8 Cb 0.02 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 1i1s h ILE 8 CO -0.03 0.00 -0.12 0.50 0.00 0.00 0.00 178.15 178.49 1i1s h LYS 9 N -0.01 -0.13 -0.18 2.37 3.64 -0.11 0.20 116.57 122.36 1i1s h LYS 9 Ca 0.10 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1i1s h LYS 9 Cb 0.16 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1i1s h LYS 9 CO -0.21 -0.09 -0.12 0.00 -2.27 0.00 0.00 179.45 176.77 1i1s h ALA 10 N 0.97 0.25 -0.54 5.00 0.00 -0.15 -2.65 119.26 122.14 1i1s h ALA 10 Ca 0.10 -0.30 0.11 0.00 0.00 0.00 0.00 54.91 54.82 1i1s h ALA 10 Cb 0.28 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 1i1s h ALA 10 CO -0.24 0.10 -0.05 1.03 0.00 0.00 0.00 179.25 180.10 1i1s h SER 11 N 0.06 -0.33 0.00 0.00 0.87 -0.80 -3.47 113.55 109.89 1i1s h SER 11 Ca 0.04 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1i1s h SER 11 Cb 0.62 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1i1s h SER 11 CO 0.03 -0.12 0.00 -3.20 -0.53 0.00 0.00 176.83 173.01 1i1s n ASN 12 N -5.30 0.00 -3.87 6.23 2.85 0.14 -4.79 115.26 110.53 1i1s n ASN 12 Ca 0.06 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.28 1i1s n ASN 12 Cb 0.30 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.32 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 -1.32 -0.07 1.20 -0.08 0.48 -4.89 116.55 111.86 1i1s n ASP 13 Ca 0.00 -0.91 -0.06 0.00 -1.51 0.00 0.00 54.79 52.31 1i1s n ASP 13 Cb 0.00 -3.50 -0.02 0.00 2.34 0.00 0.00 41.12 39.94 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 -4.38 1.20 -0.91 5.18 0.31 -1.26 -5.06 118.33 113.41 1i1s n VAL 14 Ca -0.24 0.23 -0.29 0.00 -0.01 0.00 0.00 64.34 64.02 1i1s n VAL 14 Cb 0.65 -2.21 0.18 0.00 -0.91 0.00 0.00 33.84 31.56 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 -7.43 1.87 0.00 7.52 2.01 -1.26 -5.07 118.68 116.32 1i1s s LEU 15 Ca -0.20 1.60 0.00 0.00 0.01 0.00 0.00 54.13 55.54 1i1s s LEU 15 Cb 0.03 -3.83 0.00 0.00 0.01 0.00 0.00 46.19 42.39 1i1s s LEU 15 CO 0.30 -3.24 0.00 0.59 1.01 0.00 0.00 176.35 175.00 1i1s n ASN 16 N -4.29 0.00 0.17 2.29 3.02 -1.26 -4.81 115.26 110.38 1i1s n ASN 16 Ca 0.06 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.47 1i1s n ASN 16 Cb 0.55 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.64 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 -0.65 -0.04 3.52 5.08 -1.98 -3.24 114.58 117.28 1i1s h GLU 17 Ca 0.00 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1i1s h GLU 17 Cb 0.00 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1i1s h GLU 17 CO 0.00 -0.43 0.01 0.87 -1.00 0.00 0.00 179.01 178.46 1i1s h LYS 18 N -0.67 0.07 -0.23 2.33 1.57 -1.96 0.98 116.57 118.65 1i1s h LYS 18 Ca 0.00 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1i1s h LYS 18 Cb 0.65 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1i1s h LYS 18 CO -0.14 0.26 -0.12 1.79 -0.57 0.00 0.00 179.45 180.67 1i1s h THR 19 N -0.14 1.21 -0.34 -0.16 1.35 -1.90 -1.40 112.91 111.52 1i1s h THR 19 Ca 0.01 -0.90 -0.01 0.00 -0.55 0.00 0.00 66.41 64.96 1i1s h THR 19 Cb 0.22 1.16 -0.02 0.00 -1.73 0.00 0.00 68.15 67.79 1i1s h THR 19 CO -0.00 0.29 0.18 0.00 -0.25 0.00 0.00 175.52 175.74 1i1s h ALA 20 N 1.53 0.44 -0.45 6.62 0.00 -1.17 0.15 119.26 126.38 1i1s h ALA 20 Ca 0.07 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1i1s h ALA 20 Cb 0.43 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1i1s h ALA 20 CO 0.02 -0.02 -0.14 0.00 0.00 0.00 0.00 179.25 179.11 1i1s h THR 21 N 0.43 1.26 0.06 0.00 1.03 -0.70 -2.13 112.91 112.87 1i1s h THR 21 Ca 0.12 -1.24 -0.00 0.00 -0.01 0.00 0.00 66.41 65.27 1i1s h THR 21 Cb 0.07 1.07 0.00 0.00 -1.07 0.00 0.00 68.15 68.22 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 0.75 1.21 -1.01 0.00 1.08 -1.00 0.37 117.51 118.92 1i1s h ILE 22 Ca 0.12 -1.00 0.18 0.00 -0.39 0.00 0.00 64.86 63.77 1i1s h ILE 22 Cb 0.65 1.86 -0.10 0.00 -3.07 0.00 0.00 36.82 36.16 1i1s h ILE 22 CO 0.05 0.25 0.62 0.25 -0.69 0.00 0.00 178.15 178.62 1i1s h LEU 23 N -0.54 0.81 -0.23 1.44 5.85 -0.79 -0.98 115.31 120.87 1i1s h LEU 23 Ca -0.01 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1i1s h LEU 23 Cb 0.47 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1i1s h LEU 23 CO 0.01 0.30 0.12 0.40 -0.34 0.00 0.00 178.44 178.94 1i1s h ILE 24 N 0.79 1.12 -0.25 4.05 1.08 -0.99 0.46 117.51 123.77 1i1s h ILE 24 Ca 0.57 -0.31 0.01 0.00 -0.39 0.00 0.00 64.86 64.74 1i1s h ILE 24 Cb 0.85 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 35.49 1i1s h ILE 24 CO -0.37 0.11 0.13 0.74 -0.69 0.00 0.00 178.15 178.07 1i1s h THR 25 N 0.25 1.00 -0.04 -0.27 2.02 0.36 0.17 112.91 116.40 1i1s h THR 25 Ca 0.08 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.18 1i1s h THR 25 Cb 0.07 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1i1s h THR 25 CO -0.01 0.05 -0.03 0.40 0.37 0.00 0.00 175.52 176.30 1i1s h ILE 26 N 0.27 0.92 -0.54 3.11 2.04 -1.36 -3.11 117.51 118.83 1i1s h ILE 26 Ca 0.10 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.06 1i1s h ILE 26 Cb 0.02 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 36.94 1i1s h ILE 26 CO -0.06 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.20 1i1s h ALA 27 N 1.02 0.62 0.15 1.87 0.00 0.19 0.12 119.26 123.22 1i1s h ALA 27 Ca 0.03 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1i1s h ALA 27 Cb 0.06 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1i1s h ALA 27 CO -0.06 -0.31 -0.33 -0.22 0.00 0.00 0.00 179.25 178.33 1i1s h LYS 28 N 0.25 -0.56 -5.33 0.00 1.63 -0.86 -3.43 116.57 108.26 1i1s h LYS 28 Ca 0.28 0.04 -0.61 0.00 -0.85 0.00 0.00 60.65 59.50 1i1s h LYS 28 Cb 0.39 0.13 -0.13 0.00 -0.60 0.00 0.00 32.23 32.02 1i1s h LYS 28 CO -0.36 -0.37 -0.16 0.21 -3.45 0.00 0.00 179.45 175.31 1i1s s LYS 29 N -6.00 4.11 -0.47 1.90 2.20 0.40 -5.01 119.74 116.86 1i1s s LYS 29 Ca -0.16 0.19 -0.20 0.00 -0.36 0.00 0.00 55.97 55.44 1i1s s LYS 29 Cb 0.08 -3.60 0.04 0.00 -1.51 0.00 0.00 37.83 32.83 1i1s s LYS 29 CO 0.64 -0.18 0.65 -0.51 -0.36 0.00 0.00 175.35 175.59 1i1s s ASP 30 N 1.33 6.28 -0.91 1.43 1.01 -1.26 -3.02 116.67 121.54 1i1s s ASP 30 Ca 0.18 -0.56 -0.05 0.00 0.71 0.00 0.00 52.55 52.84 1i1s s ASP 30 Cb -0.15 -2.31 -0.06 0.00 1.01 0.00 0.00 42.92 41.41 1i1s s ASP 30 CO 0.09 -0.84 0.79 0.49 0.21 0.00 0.00 175.17 175.91 1i1s n PHE 31 N 6.28 -2.10 0.00 4.23 3.72 -1.25 -5.04 117.46 123.31 1i1s n PHE 31 Ca -0.03 0.74 0.00 0.00 -0.05 0.00 0.00 57.45 58.11 1i1s n PHE 31 Cb 0.47 -3.95 0.00 0.00 -0.94 0.00 0.00 39.48 35.06 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 -3.03 0.00 -3.93 4.37 3.06 -1.17 -4.86 119.36 113.80 1i1s n ILE 32 Ca -0.07 0.00 -0.07 0.00 -2.50 0.00 0.00 62.75 60.10 1i1s n ILE 32 Cb 0.61 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.76 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 -0.73 0.00 -0.29 9.51 -2.24 -1.26 -3.81 114.28 115.46 1i1s n THR 33 Ca 0.00 -0.91 0.03 0.00 -2.27 0.00 0.00 64.05 60.90 1i1s n THR 33 Cb 0.00 0.50 0.16 0.00 -2.10 0.00 0.00 70.33 68.90 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 1.59 1.16 -0.10 6.98 0.00 -1.95 -1.77 119.26 125.18 1i1s h ALA 34 Ca -0.11 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1i1s h ALA 34 Cb 0.52 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1i1s h ALA 34 CO 0.16 0.10 -0.04 0.00 0.00 0.00 0.00 179.25 179.46 1i1s h ALA 35 N 1.45 0.04 -0.76 0.00 0.00 -1.99 0.97 119.26 118.97 1i1s h ALA 35 Ca 0.39 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 1i1s h ALA 35 Cb 0.35 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1i1s h ALA 35 CO -0.24 -0.51 0.39 1.49 0.00 0.00 0.00 179.25 180.38 1i1s h GLU 36 N -0.03 1.07 -0.92 0.00 4.81 -1.91 -1.57 114.58 116.03 1i1s h GLU 36 Ca 0.05 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1i1s h GLU 36 Cb 0.11 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.24 1i1s h GLU 36 CO -0.12 0.82 0.61 0.28 -0.73 0.00 0.00 179.01 179.87 1i1s h VAL 37 N 1.06 1.20 -0.67 0.32 2.07 -0.60 0.45 116.25 120.09 1i1s h VAL 37 Ca 0.26 -0.42 0.11 0.00 0.82 0.00 0.00 66.70 67.48 1i1s h VAL 37 Cb 0.08 -0.12 -0.08 0.00 -1.52 0.00 0.00 31.29 29.65 1i1s h VAL 37 CO -0.04 0.22 0.25 0.03 0.02 0.00 0.00 177.57 178.05 1i1s h ARG 38 N 1.22 0.41 -0.27 1.57 3.08 -0.56 -1.93 114.38 117.89 1i1s h ARG 38 Ca 0.35 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 60.22 1i1s h ARG 38 Cb -0.09 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.87 1i1s h ARG 38 CO -0.09 0.27 -0.45 0.93 -1.07 0.00 0.00 179.97 179.55 1i1s h GLU 39 N 0.42 0.78 -0.00 0.04 4.39 0.72 -3.25 114.58 117.69 1i1s h GLU 39 Ca 0.35 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1i1s h GLU 39 Cb 0.47 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1i1s h GLU 39 CO -0.35 1.11 -0.43 1.55 -1.16 0.00 0.00 179.01 179.73 1i1s n VAL 40 N -4.12 0.00 -1.69 3.13 3.14 0.88 -3.99 118.33 115.68 1i1s n VAL 40 Ca -0.05 -0.07 -0.43 0.00 -2.96 0.00 0.00 64.34 60.84 1i1s n VAL 40 Cb 0.57 0.44 -0.03 0.00 -1.06 0.00 0.00 33.84 33.76 1i1s n VAL 40 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1i1s s HIS 41 N -2.75 1.30 -0.00 1.45 5.65 -0.73 -4.77 115.29 115.44 1i1s s HIS 41 Ca 0.17 0.61 -0.24 0.00 0.25 0.00 0.00 55.06 55.85 1i1s s HIS 41 Cb 0.18 -3.95 -0.15 0.00 -1.18 0.00 0.00 32.58 27.48 1i1s s HIS 41 CO 0.63 -3.76 1.08 -1.00 -0.65 0.00 0.00 174.74 171.04 1i1s h PRO 42 N 14.84 -0.59 -0.08 2.88 0.13 -1.82 -3.45 132.00 143.92 1i1s h PRO 42 Ca -0.39 0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 64.63 1i1s h PRO 42 Cb 1.22 0.13 0.01 0.00 0.13 0.00 0.00 31.00 32.50 1i1s h PRO 42 CO 0.99 -0.29 -0.55 -0.44 -0.23 0.00 0.00 178.00 177.48 1i1s h ASP 43 N -0.99 0.62 0.32 1.44 3.32 -1.95 -3.42 116.42 115.76 1i1s h ASP 43 Ca -0.06 -0.67 -0.02 0.00 0.02 0.00 0.00 57.03 56.30 1i1s h ASP 43 Cb 0.57 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1i1s h ASP 43 CO 0.10 1.19 -0.15 -0.07 -1.72 0.00 0.00 179.24 178.59 1i1s h LEU 44 N 0.09 -0.36 0.00 1.55 4.07 -1.94 -3.48 115.31 115.23 1i1s h LEU 44 Ca -0.05 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1i1s h LEU 44 Cb 1.21 0.09 0.00 0.00 1.08 0.00 0.00 40.66 43.04 1i1s h LEU 44 CO 0.11 -0.19 0.00 0.61 -1.08 0.00 0.00 178.44 177.90 1i1s n GLY 45 N -0.30 4.74 0.05 0.83 0.00 -1.26 -4.85 105.19 104.39 1i1s n GLY 45 Ca -0.05 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.01 -0.36 1.61 7.08 -1.94 0.34 115.58 122.29 1i1s h ASN 46 Ca 0.00 -0.15 -0.00 0.00 -3.08 0.00 0.00 56.30 53.07 1i1s h ASN 46 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.23 1i1s h ASN 46 CO 0.00 0.14 0.21 0.00 -2.08 0.00 0.00 177.43 175.70 1i1s h ALA 47 N 0.83 0.46 -0.33 4.14 0.00 -2.00 -1.79 119.26 120.56 1i1s h ALA 47 Ca -0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1i1s h ALA 47 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1i1s h ALA 47 CO 0.00 -0.03 -0.02 -0.39 0.00 0.00 0.00 179.25 178.81 1i1s h VAL 48 N 0.47 1.26 -0.79 0.00 -1.51 -1.87 -2.76 116.25 111.06 1i1s h VAL 48 Ca 0.13 -1.00 0.03 0.00 -1.23 0.00 0.00 66.70 64.63 1i1s h VAL 48 Cb 0.02 1.25 -0.05 0.00 -2.13 0.00 0.00 31.29 30.38 1i1s h VAL 48 CO -0.02 0.33 0.51 0.58 -1.23 0.00 0.00 177.57 177.73 1i1s h VAL 49 N 0.40 1.13 -0.50 7.19 2.07 -0.11 0.56 116.25 126.98 1i1s h VAL 49 Ca 0.09 -0.34 0.08 0.00 0.82 0.00 0.00 66.70 67.36 1i1s h VAL 49 Cb 0.48 0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.23 1i1s h VAL 49 CO 0.02 0.18 0.11 -1.13 0.02 0.00 0.00 177.57 176.78 1i1s h ASN 50 N 0.99 0.03 -0.56 0.57 -1.24 -1.33 -1.92 115.58 112.12 1i1s h ASN 50 Ca 0.31 0.09 -0.03 0.00 0.71 0.00 0.00 56.30 57.38 1i1s h ASN 50 Cb -0.01 0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.12 1i1s h ASN 50 CO -0.10 0.04 0.24 -1.28 -1.29 0.00 0.00 177.43 175.04 1i1s h SER 51 N 0.26 0.76 -0.43 1.15 0.87 -0.50 -2.87 113.55 112.79 1i1s h SER 51 Ca 0.25 -0.15 -0.13 0.00 -1.23 0.00 0.00 61.79 60.53 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 -0.32 0.71 -0.23 0.78 -0.53 0.00 0.00 176.83 177.24 1i1s h ASN 52 N 0.77 0.97 -0.05 6.23 2.35 0.47 0.44 115.58 126.76 1i1s h ASN 52 Ca 0.19 -0.37 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 1i1s h ASN 52 Cb 0.17 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 1i1s h ASN 52 CO -0.02 1.15 -0.02 0.40 -1.65 0.00 0.00 177.43 177.30 1i1s h ILE 53 N 0.81 1.32 -0.79 2.81 2.04 -1.45 -2.49 117.51 119.76 1i1s h ILE 53 Ca 0.10 -0.98 0.03 0.00 1.00 0.00 0.00 64.86 65.01 1i1s h ILE 53 Cb 0.80 1.89 -0.05 0.00 -0.74 0.00 0.00 36.82 38.72 1i1s h ILE 53 CO 0.07 0.27 0.51 1.23 0.00 0.00 0.00 178.15 180.22 1i1s h GLY 54 N -0.29 1.14 1.49 5.37 0.00 -1.32 -0.31 103.07 109.16 1i1s h GLY 54 Ca 0.01 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 1i1s h GLY 54 CO 0.01 0.33 -0.29 -0.24 0.00 0.00 0.00 176.54 176.34 1i1s h VAL 55 N 0.99 1.28 -0.44 4.60 3.04 -0.16 0.58 116.25 126.14 1i1s h VAL 55 Ca 0.31 -1.39 0.07 0.00 -1.01 0.00 0.00 66.70 64.68 1i1s h VAL 55 Cb -0.00 1.38 -0.06 0.00 -2.01 0.00 0.00 31.29 30.60 1i1s h VAL 55 CO -0.11 0.44 0.11 -0.07 -1.01 0.00 0.00 177.57 176.94 1i1s h LEU 56 N 0.50 0.06 -0.68 3.16 4.07 -1.26 -2.61 115.31 118.55 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 0.76 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.55 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 1.00 0.69 117.51 122.97 1i1s h ILE 57 Ca 0.21 -0.59 -0.05 0.00 -0.39 0.00 0.00 64.86 64.04 1i1s h ILE 57 Cb 0.25 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.37 1i1s h ILE 57 CO -0.26 0.25 -0.22 0.07 -0.69 0.00 0.00 178.15 177.30 1i1s h LYS 58 N 0.93 0.00 0.02 2.37 5.09 0.07 -1.76 116.57 123.29 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 0.09 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.42 1i1s h LYS 58 CO -0.03 0.22 -0.01 0.87 -2.09 0.00 0.00 179.45 178.41 1i1s h LYS 59 N 0.00 -0.03 -3.70 0.07 1.57 -1.09 -3.50 116.57 109.89 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 -0.05 0.00 0.08 0.00 0.00 32.23 33.00 1i1s h LYS 59 CO 0.03 0.62 -0.56 0.41 -0.57 0.00 0.00 179.45 179.38 1i1s n GLY 60 N 0.77 -3.76 3.13 3.86 0.00 0.89 -5.05 105.19 105.04 1i1s n GLY 60 Ca -0.09 0.37 0.02 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.25 -1.51 -0.00 0.99 2.34 0.20 -4.94 118.68 115.51 1i1s s LEU 61 Ca -0.10 -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 0.28 -0.28 0.24 0.54 -1.06 0.00 0.00 176.35 176.07 1i1s s VAL 62 N 2.59 0.07 -0.22 1.48 0.11 -1.17 -4.62 120.40 118.63 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 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 1i1s s VAL 62 CO -0.22 -0.32 0.09 -1.61 -3.33 0.00 0.00 175.10 169.70 1i1s s GLU 63 N -1.46 3.86 -0.29 1.54 2.02 0.16 -4.15 118.70 120.39 1i1s s GLU 63 Ca -0.13 -0.39 -0.28 0.00 0.02 0.00 0.00 54.97 54.19 1i1s s GLU 63 Cb -0.06 -3.32 0.01 0.00 0.10 0.00 0.00 34.13 30.86 1i1s s GLU 63 CO 0.03 0.04 1.03 0.21 0.02 0.00 0.00 175.26 176.58 1i1s s LYS 64 N 1.02 4.12 -0.34 1.61 2.36 -1.26 -0.51 119.74 126.74 1i1s s LYS 64 Ca 0.05 1.11 -0.02 0.00 -2.55 0.00 0.00 55.97 54.55 1i1s s LYS 64 Cb -0.14 -3.70 0.07 0.00 -1.05 0.00 0.00 37.83 33.01 1i1s s LYS 64 CO 0.03 -0.78 0.07 0.45 1.55 0.00 0.00 175.35 176.67 1i1s s SER 65 N 1.50 5.02 -0.86 1.43 0.15 0.14 -4.94 113.70 116.14 1i1s s SER 65 Ca 0.43 -1.53 -0.08 0.00 0.70 0.00 0.00 55.95 55.47 1i1s s SER 65 Cb -0.13 -1.75 0.22 0.00 -1.71 0.00 0.00 66.02 62.64 1i1s s SER 65 CO 0.12 -0.35 0.78 -0.83 1.20 0.00 0.00 173.24 174.16 1i1s s GLY 66 N 1.41 2.84 -0.42 9.45 0.00 -1.26 -0.26 107.32 119.08 1i1s s GLY 66 Ca -0.00 -3.53 0.08 0.00 0.00 0.00 0.00 44.72 41.27 1i1s s GLY 66 CO -0.02 1.23 0.84 1.22 0.00 0.00 0.00 173.10 176.37 1i1s n ASP 67 N 3.28 -1.00 -3.74 1.64 8.00 -1.26 -5.15 116.55 118.31 1i1s n ASP 67 Ca 0.16 -3.22 -0.11 0.00 0.71 0.00 0.00 54.79 52.33 1i1s n ASP 67 Cb 0.41 0.64 -0.05 0.00 -0.02 0.00 0.00 41.12 42.10 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 -1.69 0.89 -0.13 0.44 0.00 0.64 -4.75 107.32 102.72 1i1s s GLY 68 Ca 0.32 -1.13 -0.07 0.00 0.00 0.00 0.00 44.72 43.84 1i1s s GLY 68 CO -0.11 -0.79 0.12 1.08 0.00 0.00 0.00 173.10 173.40 1i1s s LEU 69 N -3.10 4.28 -0.04 0.66 1.43 -1.25 0.23 118.68 120.90 1i1s s LEU 69 Ca 0.26 0.40 -0.22 0.00 -1.03 0.00 0.00 54.13 53.54 1i1s s LEU 69 Cb -0.00 -2.05 0.04 0.00 0.03 0.00 0.00 46.19 44.22 1i1s s LEU 69 CO 0.13 0.37 0.47 0.27 0.23 0.00 0.00 176.35 177.82 1i1s s ILE 70 N -0.81 0.03 0.25 -0.59 -4.36 0.33 -3.74 121.20 112.30 1i1s s ILE 70 Ca 0.14 -0.26 -0.04 0.00 -0.26 0.00 0.00 60.65 60.22 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 0.03 -0.14 0.50 0.27 0.24 0.00 0.00 174.94 175.83 1i1s s ILE 71 N -1.21 5.07 0.90 8.37 -4.36 -1.26 0.36 121.20 129.07 1i1s s ILE 71 Ca -0.12 0.01 -0.14 0.00 -0.26 0.00 0.00 60.65 60.14 1i1s s ILE 71 Cb -0.03 -3.71 0.14 0.00 1.25 0.00 0.00 42.46 40.11 1i1s s ILE 71 CO 0.06 -0.22 1.20 0.28 0.24 0.00 0.00 174.94 176.50 1i1s s THR 72 N -1.96 1.97 0.55 8.37 -1.32 -1.26 -4.72 115.64 117.27 1i1s s THR 72 Ca 0.43 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 61.18 1i1s s THR 72 Cb -0.11 -2.89 0.41 0.00 -1.51 0.00 0.00 72.50 68.39 1i1s s THR 72 CO 0.28 0.00 1.96 1.23 -2.21 0.00 0.00 174.62 175.88 1i1s h GLY 73 N -1.43 0.00 0.82 6.08 0.00 -1.99 -1.87 103.07 104.68 1i1s h GLY 73 Ca -0.47 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.87 1i1s h GLY 73 CO 0.56 0.00 -0.13 0.83 0.00 0.00 0.00 176.54 177.80 1i1s h GLU 74 N 0.00 -0.26 -0.33 4.80 5.08 -1.97 -1.92 114.58 119.98 1i1s h GLU 74 Ca 0.26 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.67 1i1s h GLU 74 Cb 1.13 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1i1s h GLU 74 CO -0.00 -0.17 0.13 0.00 -1.00 0.00 0.00 179.01 177.97 1i1s h ALA 75 N 0.60 0.39 -0.82 3.43 0.00 -1.77 -2.82 119.26 118.27 1i1s h ALA 75 Ca 0.01 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.09 1i1s h ALA 75 Cb 0.27 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1i1s h ALA 75 CO -0.05 -0.26 0.54 1.96 0.00 0.00 0.00 179.25 181.44 1i1s h GLN 76 N 0.28 0.55 -0.28 0.00 4.20 -0.81 0.61 115.11 119.67 1i1s h GLN 76 Ca 0.15 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 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 -0.13 0.36 -0.05 0.22 -0.67 0.00 0.00 178.83 178.56 1i1s h ASP 77 N 0.57 0.53 -0.23 1.46 1.82 -1.23 -2.69 116.42 116.65 1i1s h ASP 77 Ca 0.41 -0.35 -0.01 0.00 -0.39 0.00 0.00 57.03 56.68 1i1s h ASP 77 Cb 0.77 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.62 1i1s h ASP 77 CO -0.16 0.76 0.10 0.40 -1.61 0.00 0.00 179.24 178.72 1i1s h ILE 78 N 0.29 1.16 -0.40 2.25 1.08 0.24 -2.56 117.51 119.57 1i1s h ILE 78 Ca 0.07 -0.46 -0.02 0.00 -0.39 0.00 0.00 64.86 64.05 1i1s h ILE 78 Cb 0.52 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 1i1s h ILE 78 CO 0.02 0.16 0.15 0.40 -0.69 0.00 0.00 178.15 178.19 1i1s h ILE 79 N 0.23 1.20 -0.34 -0.67 1.08 -0.39 0.38 117.51 119.00 1i1s h ILE 79 Ca 0.08 -0.62 0.02 0.00 -0.39 0.00 0.00 64.86 63.94 1i1s h ILE 79 Cb 0.15 0.87 -0.03 0.00 -3.07 0.00 0.00 36.82 34.74 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 0.50 0.29 -0.19 1.72 0.02 -1.45 0.25 113.55 114.68 1i1s h SER 80 Ca 0.13 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1i1s h SER 80 Cb 0.20 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 1i1s h SER 80 CO -0.01 0.21 -0.15 -1.13 -1.14 0.00 0.00 176.83 174.61 1i1s h ASN 81 N 0.38 0.47 -0.11 3.07 -0.73 -1.26 -2.87 115.58 114.52 1i1s h ASN 81 Ca 0.14 -0.45 -0.02 0.00 1.87 0.00 0.00 56.30 57.84 1i1s h ASN 81 Cb 0.03 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.48 1i1s h ASN 81 CO -0.08 0.83 -0.00 0.00 -0.37 0.00 0.00 177.43 177.80 1i1s h ALA 82 N 0.66 0.15 -0.94 1.57 0.00 -0.04 0.60 119.26 121.27 1i1s h ALA 82 Ca 0.04 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.88 1i1s h ALA 82 Cb 0.68 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1i1s h ALA 82 CO 0.04 -0.15 0.60 0.00 0.00 0.00 0.00 179.25 179.74 1i1s h ALA 83 N 0.74 1.64 -0.66 0.00 0.00 -0.61 0.50 119.26 120.86 1i1s h ALA 83 Ca 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1i1s h ALA 83 Cb 0.36 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1i1s h ALA 83 CO 0.01 0.14 0.37 1.15 0.00 0.00 0.00 179.25 180.91 1i1s h THR 84 N 0.89 1.21 -1.01 0.00 2.02 -1.23 0.48 112.91 115.27 1i1s h THR 84 Ca 0.46 -0.52 0.03 0.00 0.77 0.00 0.00 66.41 67.15 1i1s h THR 84 Cb 0.52 0.34 -0.06 0.00 -1.74 0.00 0.00 68.15 67.21 1i1s h THR 84 CO -0.22 0.23 0.66 -0.07 0.37 0.00 0.00 175.52 176.49 1i1s h LEU 85 N 0.91 1.11 -0.11 2.58 3.38 0.22 0.43 115.31 123.83 1i1s h LEU 85 Ca 0.23 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1i1s h LEU 85 Cb 0.04 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1i1s h LEU 85 CO -0.04 0.77 -0.04 0.10 0.09 0.00 0.00 178.44 179.32 1i1s h TYR 86 N 1.30 -0.09 -0.86 1.13 -0.00 -0.41 -3.29 116.97 114.75 1i1s h TYR 86 Ca 0.40 0.01 0.15 0.00 0.00 0.00 0.00 58.73 59.29 1i1s h TYR 86 Cb -0.03 0.05 -0.06 0.00 0.00 0.00 0.00 36.73 36.69 1i1s h TYR 86 CO -0.00 -0.06 0.56 0.00 -0.00 0.00 0.00 178.16 178.65 1i1s h ALA 87 N 1.09 1.94 -0.72 0.10 0.00 0.43 0.51 119.26 122.61 1i1s h ALA 87 Ca 0.06 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1i1s h ALA 87 Cb 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1i1s h ALA 87 CO -0.12 -0.18 0.44 -0.56 0.00 0.00 0.00 179.25 178.83 1i1s h GLN 88 N 0.59 0.80 0.00 0.00 3.07 -1.04 -3.35 115.11 115.18 1i1s h GLN 88 Ca 0.43 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 59.09 1i1s h GLN 88 Cb 0.80 -0.18 -0.00 0.00 0.08 0.00 0.00 27.48 28.17 1i1s h GLN 88 CO -0.18 0.53 -0.55 0.39 0.09 0.00 0.00 178.83 179.11 1i1s n GLU 89 N -4.70 0.10 0.07 0.06 1.02 0.12 -4.72 120.64 112.60 1i1s n GLU 89 Ca 0.09 0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 57.14 1i1s n GLU 89 Cb 0.14 -0.67 -0.08 0.00 -0.02 0.00 0.00 31.44 30.82 1i1s n GLU 89 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1i1s h ASN 90 N -0.17 -0.10 -4.72 1.62 -1.24 -0.45 -3.45 115.58 107.06 1i1s h ASN 90 Ca -0.04 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 56.92 1i1s h ASN 90 Cb 0.49 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.57 1i1s h ASN 90 CO -0.03 -0.01 -0.52 0.00 -1.29 0.00 0.00 177.43 175.58 1i1s n ALA 91 N -2.17 -3.15 -1.77 1.57 0.00 -1.16 -4.87 120.51 108.97 1i1s n ALA 91 Ca -0.08 0.73 -0.39 0.00 0.00 0.00 0.00 53.44 53.70 1i1s n ALA 91 Cb 0.10 -2.16 -0.04 0.00 0.00 0.00 0.00 19.45 17.34 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 -1.89 4.52 -0.91 0.00 0.04 -1.26 -2.62 135.00 132.88 1i1s s PRO 92 Ca 0.12 1.66 -0.26 0.00 0.04 0.00 0.00 61.00 62.57 1i1s s PRO 92 Cb -0.03 -2.99 -0.20 0.00 0.04 0.00 0.00 34.50 31.32 1i1s s PRO 92 CO 0.60 0.14 1.95 0.39 0.04 0.00 0.00 177.00 180.12 1i1s n GLU 93 N 0.81 0.75 -0.10 4.56 1.02 -1.26 -4.76 120.64 121.66 1i1s n GLU 93 Ca 0.01 -1.87 -0.23 0.00 -0.02 0.00 0.00 57.16 55.06 1i1s n GLU 93 Cb 0.47 -3.52 -0.12 0.00 -0.02 0.00 0.00 31.44 28.24 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 14.92 2.42 0.38 -4.62 4.77 -1.08 -3.92 117.00 129.88 1i1s n LEU 94 Ca 0.44 0.17 -0.16 0.00 -0.03 0.00 0.00 56.01 56.44 1i1s n LEU 94 Cb 0.45 -0.95 -0.08 0.00 -2.33 0.00 0.00 43.42 40.52 1i1s n LEU 94 CO 0.77 0.70 0.42 -0.07 -1.33 0.00 0.00 177.39 177.89 1i1s h LEU 95 N -0.43 -0.85 -1.83 2.23 3.38 -1.85 -3.51 115.31 112.45 1i1s h LEU 95 Ca -0.54 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1i1s h LEU 95 Cb 1.75 0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.72 1i1s h LEU 95 CO -0.16 -0.48 0.00 2.29 0.09 0.00 0.00 178.44 180.18