#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 -1.14 -0.00 6.12 2.88 -1.26 -4.82 113.62 115.40 1i1s n SER 2 Ca 0.00 -0.89 -0.12 0.00 -1.33 0.00 0.00 58.87 56.53 1i1s n SER 2 Cb 0.00 -3.64 -0.09 0.00 -0.75 0.00 0.00 64.21 59.73 1i1s n SER 2 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1i1s h LYS 3 N -1.86 -0.09 -0.90 -1.46 3.64 -1.99 -3.39 116.57 110.52 1i1s h LYS 3 Ca -0.62 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.80 1i1s h LYS 3 Cb 1.37 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.16 1i1s h LYS 3 CO 0.60 0.49 0.59 -0.39 -2.27 0.00 0.00 179.45 178.47 1i1s h VAL 4 N -0.80 1.17 -0.96 2.00 -1.51 -1.91 0.94 116.25 115.18 1i1s h VAL 4 Ca -0.01 -0.39 0.04 0.00 -1.23 0.00 0.00 66.70 65.11 1i1s h VAL 4 Cb 0.62 -0.08 -0.06 0.00 -2.13 0.00 0.00 31.29 29.64 1i1s h VAL 4 CO 0.02 0.21 0.63 0.74 -1.23 0.00 0.00 177.57 177.93 1i1s h THR 5 N 1.14 1.15 -0.70 7.19 2.02 -1.87 0.23 112.91 122.08 1i1s h THR 5 Ca 0.35 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1i1s h THR 5 Cb -0.01 -0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.22 1i1s h THR 5 CO -0.10 0.22 0.35 1.88 0.37 0.00 0.00 175.52 178.23 1i1s h TYR 6 N 1.18 0.98 -0.25 3.16 0.05 -1.02 0.63 116.97 121.70 1i1s h TYR 6 Ca 0.39 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 59.13 1i1s h TYR 6 Cb 0.05 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.46 1i1s h TYR 6 CO -0.00 0.71 0.13 0.82 -1.05 0.00 0.00 178.16 178.77 1i1s h ILE 7 N 0.99 1.14 -0.20 -2.88 1.08 -0.19 0.39 117.51 117.83 1i1s h ILE 7 Ca 0.24 -0.39 0.04 0.00 -0.39 0.00 0.00 64.86 64.37 1i1s h ILE 7 Cb 0.09 0.93 -0.04 0.00 -3.07 0.00 0.00 36.82 34.72 1i1s h ILE 7 CO -0.03 0.14 -0.05 0.40 -0.69 0.00 0.00 178.15 177.91 1i1s h ILE 8 N 0.28 0.79 -0.17 -0.67 2.04 -0.49 0.78 117.51 120.07 1i1s h ILE 8 Ca 0.09 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.99 1i1s h ILE 8 Cb 0.10 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 1i1s h ILE 8 CO -0.01 0.00 -0.11 0.50 0.00 0.00 0.00 178.15 178.53 1i1s h LYS 9 N -0.00 -0.10 -0.17 2.37 1.63 -0.55 0.12 116.57 119.86 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 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1i1s h LYS 9 CO -0.21 -0.07 -0.12 0.00 -3.45 0.00 0.00 179.45 175.60 1i1s h ALA 10 N 1.02 0.25 -0.59 5.00 0.00 -0.03 -2.65 119.26 122.25 1i1s h ALA 10 Ca 0.10 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.80 1i1s h ALA 10 Cb 0.26 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1i1s h ALA 10 CO -0.24 0.10 0.20 1.03 0.00 0.00 0.00 179.25 180.34 1i1s h SER 11 N 0.05 0.17 0.00 0.00 0.87 -0.81 -3.47 113.55 110.36 1i1s h SER 11 Ca 0.03 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1i1s h SER 11 Cb 0.63 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1i1s h SER 11 CO 0.03 0.10 0.00 -3.20 -0.53 0.00 0.00 176.83 173.24 1i1s n ASN 12 N -5.03 0.00 -3.82 6.23 2.85 0.12 -4.75 115.26 110.86 1i1s n ASN 12 Ca 0.08 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.31 1i1s n ASN 12 Cb 0.28 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.31 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 -1.77 -0.08 1.20 2.03 0.19 -4.90 116.55 113.23 1i1s n ASP 13 Ca 0.00 -0.86 -0.07 0.00 0.52 0.00 0.00 54.79 54.38 1i1s n ASP 13 Cb 0.00 -3.74 -0.02 0.00 -0.72 0.00 0.00 41.12 36.63 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 -4.39 1.40 -0.81 5.18 0.31 -1.26 -5.05 118.33 113.70 1i1s n VAL 14 Ca -0.22 0.19 -0.29 0.00 -0.01 0.00 0.00 64.34 64.00 1i1s n VAL 14 Cb 0.64 -2.33 0.20 0.00 -0.91 0.00 0.00 33.84 31.45 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 -7.89 1.59 0.00 7.52 2.01 -1.26 -5.06 118.68 115.59 1i1s s LEU 15 Ca -0.22 1.57 0.00 0.00 0.01 0.00 0.00 54.13 55.48 1i1s s LEU 15 Cb 0.03 -3.71 0.00 0.00 0.01 0.00 0.00 46.19 42.52 1i1s s LEU 15 CO 0.33 -3.52 0.00 -3.20 1.01 0.00 0.00 176.35 170.97 1i1s n ASN 16 N -4.47 0.00 0.34 2.29 5.15 -1.26 -4.84 115.26 112.47 1i1s n ASN 16 Ca 0.06 0.00 -0.17 0.00 -0.60 0.00 0.00 54.58 53.87 1i1s n ASN 16 Cb 0.55 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.71 1i1s n ASN 16 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1i1s h GLU 17 N 0.00 -0.83 -0.04 1.20 3.07 -1.98 -3.23 114.58 112.78 1i1s h GLU 17 Ca 0.00 0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1i1s h GLU 17 Cb 0.00 0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1i1s h GLU 17 CO 0.00 -0.52 0.01 0.87 -1.40 0.00 0.00 179.01 177.97 1i1s h LYS 18 N -0.97 0.06 -0.33 2.33 1.57 -1.97 0.90 116.57 118.16 1i1s h LYS 18 Ca -0.09 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1i1s h LYS 18 Cb 0.69 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1i1s h LYS 18 CO 0.14 0.25 0.07 1.79 -0.57 0.00 0.00 179.45 181.14 1i1s h THR 19 N -0.14 1.16 -0.33 -0.16 1.35 -1.90 0.11 112.91 112.99 1i1s h THR 19 Ca 0.01 -0.57 -0.01 0.00 -0.55 0.00 0.00 66.41 65.30 1i1s h THR 19 Cb 0.22 0.83 -0.02 0.00 -1.73 0.00 0.00 68.15 67.45 1i1s h THR 19 CO -0.00 0.20 0.18 0.00 -0.25 0.00 0.00 175.52 175.65 1i1s h ALA 20 N 1.61 0.42 -0.48 6.62 0.00 -1.19 0.17 119.26 126.41 1i1s h ALA 20 Ca 0.11 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1i1s h ALA 20 Cb 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1i1s h ALA 20 CO -0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 179.25 179.06 1i1s h THR 21 N 0.41 1.27 0.07 0.00 1.03 -0.52 -2.15 112.91 113.02 1i1s h THR 21 Ca 0.12 -1.27 -0.00 0.00 -0.01 0.00 0.00 66.41 65.24 1i1s h THR 21 Cb 0.07 1.04 0.00 0.00 -1.07 0.00 0.00 68.15 68.19 1i1s h THR 21 CO -0.02 0.44 -0.03 0.40 -0.01 0.00 0.00 175.52 176.30 1i1s h ILE 22 N 0.81 1.15 -0.98 0.00 1.08 -0.57 0.24 117.51 119.25 1i1s h ILE 22 Ca 0.12 -0.79 0.18 0.00 -0.39 0.00 0.00 64.86 63.98 1i1s h ILE 22 Cb 0.68 1.66 -0.10 0.00 -3.07 0.00 0.00 36.82 35.99 1i1s h ILE 22 CO 0.05 0.20 0.58 0.25 -0.69 0.00 0.00 178.15 178.54 1i1s h LEU 23 N -0.45 0.76 -0.09 1.44 5.85 -0.76 -2.00 115.31 120.05 1i1s h LEU 23 Ca -0.01 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1i1s h LEU 23 Cb 0.39 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1i1s h LEU 23 CO 0.02 0.29 0.03 0.40 -0.34 0.00 0.00 178.44 178.84 1i1s h ILE 24 N 0.76 1.16 -0.61 4.05 1.08 -0.72 0.47 117.51 123.70 1i1s h ILE 24 Ca 0.55 -0.47 0.02 0.00 -0.39 0.00 0.00 64.86 64.57 1i1s h ILE 24 Cb 0.82 1.30 -0.04 0.00 -3.07 0.00 0.00 36.82 35.83 1i1s h ILE 24 CO -0.37 0.14 0.38 0.74 -0.69 0.00 0.00 178.15 178.34 1i1s h THR 25 N -0.02 1.08 0.02 -0.27 2.02 0.11 0.25 112.91 116.10 1i1s h THR 25 Ca 0.03 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1i1s h THR 25 Cb 0.19 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1i1s h THR 25 CO -0.00 0.14 -0.02 0.40 0.37 0.00 0.00 175.52 176.41 1i1s h ILE 26 N 0.75 0.96 -0.55 3.11 2.04 -1.40 -3.14 117.51 119.28 1i1s h ILE 26 Ca 0.24 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.20 1i1s h ILE 26 Cb 0.00 0.96 -0.08 0.00 -0.74 0.00 0.00 36.82 36.97 1i1s h ILE 26 CO -0.09 0.00 0.12 0.00 0.00 0.00 0.00 178.15 178.17 1i1s h ALA 27 N 0.94 0.63 0.43 1.87 0.00 0.31 0.09 119.26 123.54 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 0.04 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1i1s h ALA 27 CO -0.00 -0.30 -0.51 0.87 0.00 0.00 0.00 179.25 179.30 1i1s h LYS 28 N 0.26 -0.93 -5.41 0.00 6.56 -0.90 -3.43 116.57 112.72 1i1s h LYS 28 Ca 0.28 0.06 -0.62 0.00 -1.06 0.00 0.00 60.65 59.31 1i1s h LYS 28 Cb 0.39 0.21 -0.13 0.00 -0.57 0.00 0.00 32.23 32.13 1i1s h LYS 28 CO -0.36 -0.62 0.07 0.21 -2.06 0.00 0.00 179.45 176.69 1i1s s LYS 29 N -5.82 3.94 -0.44 3.15 2.20 0.02 -5.00 119.74 117.79 1i1s s LYS 29 Ca -0.18 0.27 -0.23 0.00 -0.36 0.00 0.00 55.97 55.47 1i1s s LYS 29 Cb 0.05 -3.71 0.02 0.00 -1.51 0.00 0.00 37.83 32.68 1i1s s LYS 29 CO 0.60 -0.49 0.77 -0.51 -0.36 0.00 0.00 175.35 175.36 1i1s s ASP 30 N 1.61 6.42 -0.96 1.43 1.11 -1.26 -2.48 116.67 122.54 1i1s s ASP 30 Ca 0.23 -0.07 -0.04 0.00 0.18 0.00 0.00 52.55 52.85 1i1s s ASP 30 Cb -0.15 -2.38 -0.05 0.00 1.07 0.00 0.00 42.92 41.41 1i1s s ASP 30 CO 0.11 -0.88 0.83 0.49 1.18 0.00 0.00 175.17 176.90 1i1s n PHE 31 N 6.64 -2.14 0.00 4.23 3.72 -1.25 -5.05 117.46 123.61 1i1s n PHE 31 Ca 0.02 0.78 0.00 0.00 -0.05 0.00 0.00 57.45 58.20 1i1s n PHE 31 Cb 0.48 -4.12 0.00 0.00 -0.94 0.00 0.00 39.48 34.90 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 -3.20 0.00 -4.06 4.37 3.06 -1.03 -4.89 119.36 113.61 1i1s n ILE 32 Ca -0.11 0.00 -0.10 0.00 -2.50 0.00 0.00 62.75 60.04 1i1s n ILE 32 Cb 0.62 0.00 -0.04 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 -1.16 0.00 -0.29 9.51 -2.24 -1.26 -3.73 114.28 115.12 1i1s n THR 33 Ca 0.00 -1.27 0.05 0.00 -2.27 0.00 0.00 64.05 60.56 1i1s n THR 33 Cb 0.00 0.68 0.20 0.00 -2.10 0.00 0.00 70.33 69.11 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 1.67 1.21 -0.31 6.98 0.00 -1.94 -2.54 119.26 124.32 1i1s h ALA 34 Ca -0.14 0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1i1s h ALA 34 Cb 0.69 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1i1s h ALA 34 CO 0.20 -0.05 -0.08 0.00 0.00 0.00 0.00 179.25 179.32 1i1s h ALA 35 N 1.52 0.20 -0.77 0.00 0.00 -1.97 0.11 119.26 118.35 1i1s h ALA 35 Ca 0.43 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.44 1i1s h ALA 35 Cb 0.55 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1i1s h ALA 35 CO -0.33 -0.46 0.41 1.49 0.00 0.00 0.00 179.25 180.36 1i1s h GLU 36 N -0.00 1.09 -0.94 0.00 4.81 -1.90 0.20 114.58 117.85 1i1s h GLU 36 Ca 0.15 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1i1s h GLU 36 Cb 0.23 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 1i1s h GLU 36 CO -0.32 0.82 0.62 0.28 -0.73 0.00 0.00 179.01 179.68 1i1s h VAL 37 N 1.07 1.23 -0.65 0.32 2.07 -0.89 0.50 116.25 119.90 1i1s h VAL 37 Ca 0.27 -0.43 0.09 0.00 0.82 0.00 0.00 66.70 67.45 1i1s h VAL 37 Cb 0.06 -0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 29.62 1i1s h VAL 37 CO -0.04 0.23 0.29 0.03 0.02 0.00 0.00 177.57 178.09 1i1s h ARG 38 N 1.26 0.48 -0.27 1.57 3.08 -0.30 -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 60.21 1i1s h ARG 38 Cb -0.12 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 1i1s h ARG 38 CO -0.08 0.32 -0.47 0.93 -1.07 0.00 0.00 179.97 179.60 1i1s h GLU 39 N 0.49 0.80 0.12 0.04 4.39 0.30 -3.10 114.58 117.62 1i1s h GLU 39 Ca 0.33 -0.50 0.01 0.00 0.34 0.00 0.00 59.36 59.54 1i1s h GLU 39 Cb 0.38 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1i1s h GLU 39 CO -0.29 1.13 -0.19 -0.24 -1.16 0.00 0.00 179.01 178.26 1i1s h VAL 40 N 0.56 0.58 -2.11 3.13 3.04 -0.57 -3.44 116.25 117.43 1i1s h VAL 40 Ca 0.02 0.00 -0.61 0.00 -1.01 0.00 0.00 66.70 65.10 1i1s h VAL 40 Cb 1.07 0.58 0.04 0.00 -2.01 0.00 0.00 31.29 30.97 1i1s h VAL 40 CO 0.11 0.00 0.95 0.00 -1.01 0.00 0.00 177.57 177.62 1i1s n HIS 41 N -5.31 2.28 0.20 3.17 1.44 -1.17 -4.87 115.22 110.95 1i1s n HIS 41 Ca -0.07 0.13 -0.08 0.00 -2.01 0.00 0.00 57.72 55.70 1i1s n HIS 41 Cb 0.23 -2.60 -0.04 0.00 0.12 0.00 0.00 29.99 27.70 1i1s n HIS 41 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 1i1s h PRO 42 N 7.68 -0.49 -1.01 -1.40 0.13 -1.90 -3.45 132.00 131.55 1i1s h PRO 42 Ca -0.47 0.03 -0.51 0.00 -0.87 0.00 0.00 66.00 64.19 1i1s h PRO 42 Cb 1.27 0.11 -0.42 0.00 0.13 0.00 0.00 31.00 32.09 1i1s h PRO 42 CO 0.92 -0.33 -0.86 -0.40 -0.23 0.00 0.00 178.00 177.10 1i1s n ASP 43 N -3.60 4.11 0.00 1.44 5.68 -1.26 -4.56 116.55 118.35 1i1s n ASP 43 Ca -0.06 -3.43 0.00 0.00 -0.50 0.00 0.00 54.79 50.79 1i1s n ASP 43 Cb 0.20 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 39.76 1i1s n ASP 43 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1i1s n LEU 44 N -0.55 0.00 0.00 -2.12 4.32 -1.26 -5.07 117.00 112.32 1i1s n LEU 44 Ca 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.33 1i1s n LEU 44 Cb 0.82 -0.33 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 1i1s n LEU 44 CO 0.32 -0.37 0.00 0.61 -1.22 0.00 0.00 177.39 176.74 1i1s n GLY 45 N 1.95 4.46 0.11 -0.72 0.00 -1.26 -4.79 105.19 104.94 1i1s n GLY 45 Ca 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 1i1s n GLY 45 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1i1s h ASN 46 N 0.00 -0.21 -0.22 1.61 -0.00 -1.95 0.21 115.58 115.03 1i1s h ASN 46 Ca 0.00 0.06 -0.04 0.00 -0.00 0.00 0.00 56.30 56.31 1i1s h ASN 46 Cb 0.00 0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 38.44 1i1s h ASN 46 CO 0.00 -0.08 -0.03 0.00 -0.00 0.00 0.00 177.43 177.31 1i1s h ALA 47 N 1.11 0.30 -0.50 1.57 0.00 -2.01 -2.80 119.26 116.94 1i1s h ALA 47 Ca 0.08 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1i1s h ALA 47 Cb 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1i1s h ALA 47 CO -0.18 0.06 0.07 -0.39 0.00 0.00 0.00 179.25 178.81 1i1s h VAL 48 N 0.15 1.25 -0.88 0.00 -1.51 -1.83 -2.87 116.25 110.56 1i1s h VAL 48 Ca 0.06 -0.94 0.03 0.00 -1.23 0.00 0.00 66.70 64.61 1i1s h VAL 48 Cb 0.47 0.90 -0.05 0.00 -2.13 0.00 0.00 31.29 30.48 1i1s h VAL 48 CO 0.02 0.34 0.57 0.58 -1.23 0.00 0.00 177.57 177.84 1i1s h VAL 49 N 0.70 1.16 -0.51 7.19 2.07 -0.54 0.56 116.25 126.89 1i1s h VAL 49 Ca 0.15 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.37 1i1s h VAL 49 Cb 0.41 -0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.05 1i1s h VAL 49 CO 0.01 0.20 0.13 -1.13 0.02 0.00 0.00 177.57 176.80 1i1s h ASN 50 N 1.12 0.06 -0.56 0.57 -0.73 -1.44 -2.33 115.58 112.27 1i1s h ASN 50 Ca 0.34 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.56 1i1s h ASN 50 Cb -0.02 0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.65 1i1s h ASN 50 CO -0.11 0.06 0.22 -1.28 -0.37 0.00 0.00 177.43 175.95 1i1s h SER 51 N 0.27 0.77 -0.38 1.15 0.87 -0.40 -2.84 113.55 112.99 1i1s h SER 51 Ca 0.25 -0.17 -0.13 0.00 -1.23 0.00 0.00 61.79 60.51 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 0.73 -0.24 0.78 -0.53 0.00 0.00 176.83 177.26 1i1s h ASN 52 N 0.76 0.92 -0.06 6.23 2.35 0.29 0.44 115.58 126.52 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 0.20 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 1i1s h ASN 52 CO -0.02 1.11 -0.01 0.40 -1.65 0.00 0.00 177.43 177.27 1i1s h ILE 53 N 0.77 1.29 -0.84 2.81 2.04 -1.51 -2.63 117.51 119.44 1i1s h ILE 53 Ca 0.10 -0.89 0.03 0.00 1.00 0.00 0.00 64.86 65.10 1i1s h ILE 53 Cb 0.80 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 0.54 1.23 0.00 0.00 0.00 178.15 180.23 1i1s h GLY 54 N -0.23 1.22 1.48 5.37 0.00 -1.24 -0.48 103.07 109.18 1i1s h GLY 54 Ca 0.01 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 1i1s h GLY 54 CO 0.01 0.36 -0.28 -0.24 0.00 0.00 0.00 176.54 176.38 1i1s h VAL 55 N 1.06 1.28 -0.43 4.60 3.04 -0.14 0.56 116.25 126.21 1i1s h VAL 55 Ca 0.33 -1.37 0.07 0.00 -1.01 0.00 0.00 66.70 64.72 1i1s h VAL 55 Cb -0.00 1.36 -0.06 0.00 -2.01 0.00 0.00 31.29 30.58 1i1s h VAL 55 CO -0.11 0.44 0.10 -0.07 -1.01 0.00 0.00 177.57 176.92 1i1s h LEU 56 N 0.52 0.03 -0.68 3.16 4.07 -1.27 -2.65 115.31 118.49 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 0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.55 1i1s h LEU 56 CO 0.06 0.05 0.33 0.40 -1.08 0.00 0.00 178.44 178.20 1i1s h ILE 57 N 0.23 1.22 0.00 1.22 1.08 0.90 0.69 117.51 122.87 1i1s h ILE 57 Ca 0.21 -0.62 -0.06 0.00 -0.39 0.00 0.00 64.86 63.99 1i1s h ILE 57 Cb 0.25 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 1i1s h ILE 57 CO -0.27 0.26 -0.31 0.07 -0.69 0.00 0.00 178.15 177.22 1i1s h LYS 58 N 0.94 0.00 -0.01 2.37 2.10 0.01 -2.05 116.57 119.92 1i1s h LYS 58 Ca 0.23 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.87 1i1s h LYS 58 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 1i1s h LYS 58 CO -0.03 0.31 -0.06 0.87 -2.00 0.00 0.00 179.45 178.54 1i1s h LYS 59 N 0.00 0.06 -3.79 0.07 1.57 -1.08 -3.49 116.57 109.91 1i1s h LYS 59 Ca -0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1i1s h LYS 59 Cb 0.68 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.95 1i1s h LYS 59 CO 0.04 0.72 -0.63 0.41 -0.57 0.00 0.00 179.45 179.42 1i1s n GLY 60 N 0.74 -3.87 3.15 3.86 0.00 0.92 -5.06 105.19 104.93 1i1s n GLY 60 Ca -0.09 0.48 0.03 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.28 -1.57 -0.00 0.99 2.34 0.20 -4.94 118.68 115.42 1i1s s LEU 61 Ca -0.11 -0.06 -0.12 0.00 0.06 0.00 0.00 54.13 53.90 1i1s s LEU 61 Cb 0.01 1.98 0.01 0.00 -0.56 0.00 0.00 46.19 47.63 1i1s s LEU 61 CO 0.32 -0.27 0.24 0.54 -1.06 0.00 0.00 176.35 176.12 1i1s s VAL 62 N 2.59 0.07 -0.20 1.48 0.11 -1.19 -4.63 120.40 118.64 1i1s s VAL 62 Ca 0.11 -0.59 -0.08 0.00 -2.93 0.00 0.00 61.98 58.50 1i1s s VAL 62 Cb -0.09 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 1i1s s VAL 62 CO -0.22 -0.32 0.07 -1.61 -3.33 0.00 0.00 175.10 169.69 1i1s s GLU 63 N -1.50 3.92 -0.14 1.54 2.02 0.15 -4.15 118.70 120.53 1i1s s GLU 63 Ca -0.13 -0.37 -0.29 0.00 0.02 0.00 0.00 54.97 54.21 1i1s s GLU 63 Cb -0.05 -3.26 -0.01 0.00 0.10 0.00 0.00 34.13 30.91 1i1s s GLU 63 CO 0.02 0.16 0.98 0.21 0.02 0.00 0.00 175.26 176.66 1i1s s LYS 64 N 0.67 4.37 -0.31 1.61 2.20 -1.26 -0.30 119.74 126.73 1i1s s LYS 64 Ca 0.04 1.32 0.01 0.00 -0.36 0.00 0.00 55.97 56.98 1i1s s LYS 64 Cb -0.13 -3.56 0.07 0.00 -1.51 0.00 0.00 37.83 32.70 1i1s s LYS 64 CO 0.02 -0.37 -0.00 0.45 -0.36 0.00 0.00 175.35 175.08 1i1s s SER 65 N 1.12 4.76 -0.71 1.43 0.15 0.10 -4.93 113.70 115.63 1i1s s SER 65 Ca 0.46 -1.59 -0.20 0.00 0.70 0.00 0.00 55.95 55.32 1i1s s SER 65 Cb -0.17 -1.65 0.10 0.00 -1.71 0.00 0.00 66.02 62.58 1i1s s SER 65 CO 0.15 -0.29 0.91 -0.83 1.20 0.00 0.00 173.24 174.37 1i1s s GLY 66 N 1.20 1.68 -0.23 9.45 0.00 -1.26 0.32 107.32 118.48 1i1s s GLY 66 Ca -0.02 -2.24 -0.05 0.00 0.00 0.00 0.00 44.72 42.42 1i1s s GLY 66 CO -0.04 1.86 -0.10 1.22 0.00 0.00 0.00 173.10 176.04 1i1s n ASP 67 N 6.85 2.00 -4.69 1.64 8.00 -1.26 -5.16 116.55 123.94 1i1s n ASP 67 Ca 0.01 0.06 -0.23 0.00 0.71 0.00 0.00 54.79 55.35 1i1s n ASP 67 Cb 0.45 -0.62 -0.07 0.00 -0.02 0.00 0.00 41.12 40.86 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 -6.01 1.73 -0.10 0.44 0.00 0.15 -4.79 107.32 98.74 1i1s s GLY 68 Ca -0.33 -1.69 -0.11 0.00 0.00 0.00 0.00 44.72 42.59 1i1s s GLY 68 CO 0.62 -1.71 0.25 1.08 0.00 0.00 0.00 173.10 173.34 1i1s s LEU 69 N -3.74 4.37 -0.03 0.66 1.43 -1.24 0.01 118.68 120.13 1i1s s LEU 69 Ca 0.33 0.61 -0.19 0.00 -1.03 0.00 0.00 54.13 53.86 1i1s s LEU 69 Cb -0.05 -2.29 0.04 0.00 0.03 0.00 0.00 46.19 43.91 1i1s s LEU 69 CO 0.21 0.30 0.40 0.27 0.23 0.00 0.00 176.35 177.77 1i1s s ILE 70 N -0.64 0.04 0.32 -0.59 -4.36 0.60 -3.84 121.20 112.73 1i1s s ILE 70 Ca 0.17 -0.34 -0.02 0.00 -0.26 0.00 0.00 60.65 60.21 1i1s s ILE 70 Cb -0.14 -0.71 -0.04 0.00 1.25 0.00 0.00 42.46 42.83 1i1s s ILE 70 CO 0.06 -0.19 0.56 0.27 0.24 0.00 0.00 174.94 175.88 1i1s s ILE 71 N -1.22 5.07 0.98 8.37 -4.36 -1.26 0.31 121.20 129.08 1i1s s ILE 71 Ca -0.12 -0.20 -0.16 0.00 -0.26 0.00 0.00 60.65 59.90 1i1s s ILE 71 Cb -0.04 -3.80 0.20 0.00 1.25 0.00 0.00 42.46 40.07 1i1s s ILE 71 CO 0.05 -0.46 1.26 0.42 0.24 0.00 0.00 174.94 176.45 1i1s s THR 72 N -2.23 1.93 0.31 8.37 -4.23 -1.26 -4.71 115.64 113.82 1i1s s THR 72 Ca 0.42 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.98 1i1s s THR 72 Cb -0.10 -2.89 0.30 0.00 1.34 0.00 0.00 72.50 71.15 1i1s s THR 72 CO 0.34 0.00 1.82 1.23 -0.54 0.00 0.00 174.62 177.47 1i1s h GLY 73 N -1.73 1.60 0.68 3.99 0.00 -1.98 -1.93 103.07 103.70 1i1s h GLY 73 Ca -0.45 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 46.55 1i1s h GLY 73 CO 0.42 0.05 0.05 0.83 0.00 0.00 0.00 176.54 177.90 1i1s h GLU 74 N 0.83 0.15 -0.30 4.80 5.08 -1.96 0.69 114.58 123.86 1i1s h GLU 74 Ca 0.52 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.91 1i1s h GLU 74 Cb 0.73 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1i1s h GLU 74 CO -0.30 0.10 0.11 0.00 -1.00 0.00 0.00 179.01 177.92 1i1s h ALA 75 N 1.20 0.35 -0.83 3.43 0.00 -1.87 -2.85 119.26 118.69 1i1s h ALA 75 Ca 0.13 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.21 1i1s h ALA 75 Cb 0.13 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1i1s h ALA 75 CO -0.17 -0.29 0.54 1.96 0.00 0.00 0.00 179.25 181.29 1i1s h GLN 76 N 0.24 0.56 -0.27 0.00 4.20 -0.11 0.63 115.11 120.36 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 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1i1s h GLN 76 CO -0.14 0.37 -0.05 0.22 -0.67 0.00 0.00 178.83 178.57 1i1s h ASP 77 N 0.58 0.52 -0.23 1.46 1.82 -1.07 -2.43 116.42 117.07 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 0.75 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 1i1s h ASP 77 CO -0.16 0.75 0.10 0.40 -1.61 0.00 0.00 179.24 178.72 1i1s h ILE 78 N 0.28 1.15 -0.43 2.25 1.08 0.27 -2.34 117.51 119.77 1i1s h ILE 78 Ca 0.07 -0.46 -0.03 0.00 -0.39 0.00 0.00 64.86 64.06 1i1s h ILE 78 Cb 0.51 1.03 -0.02 0.00 -3.07 0.00 0.00 36.82 35.27 1i1s h ILE 78 CO 0.02 0.15 0.16 0.40 -0.69 0.00 0.00 178.15 178.20 1i1s h ILE 79 N 0.23 1.21 -0.34 -0.67 1.08 -0.43 0.31 117.51 118.90 1i1s h ILE 79 Ca 0.08 -0.65 0.02 0.00 -0.39 0.00 0.00 64.86 63.92 1i1s h ILE 79 Cb 0.15 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 34.70 1i1s h ILE 79 CO -0.01 0.24 0.18 0.28 -0.69 0.00 0.00 178.15 178.15 1i1s h SER 80 N 0.56 0.29 -0.17 1.72 0.02 -1.35 0.36 113.55 114.98 1i1s h SER 80 Ca 0.14 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1i1s h SER 80 Cb 0.21 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1i1s h SER 80 CO -0.01 0.21 -0.19 -1.13 -1.14 0.00 0.00 176.83 174.57 1i1s h ASN 81 N 0.38 0.46 -0.10 3.07 -0.73 -1.28 -2.76 115.58 114.62 1i1s h ASN 81 Ca 0.14 -0.49 -0.02 0.00 1.87 0.00 0.00 56.30 57.80 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 0.86 -0.00 0.00 -0.37 0.00 0.00 177.43 177.83 1i1s h ALA 82 N 0.61 0.13 -0.94 1.57 0.00 -0.20 0.16 119.26 120.60 1i1s h ALA 82 Ca 0.02 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.87 1i1s h ALA 82 Cb 0.74 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 1i1s h ALA 82 CO 0.05 -0.18 0.60 0.00 0.00 0.00 0.00 179.25 179.72 1i1s h ALA 83 N 0.73 1.66 -0.80 0.00 0.00 -0.39 0.51 119.26 120.96 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 0.36 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1i1s h ALA 83 CO 0.01 0.11 0.43 1.15 0.00 0.00 0.00 179.25 180.95 1i1s h THR 84 N 0.86 1.24 -0.70 0.00 2.02 -1.16 0.50 112.91 115.67 1i1s h THR 84 Ca 0.46 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1i1s h THR 84 Cb 0.55 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 0.40 -0.07 0.37 0.00 0.00 175.52 176.27 1i1s h LEU 85 N 1.12 0.85 -0.13 2.58 3.38 0.19 0.51 115.31 123.82 1i1s h LEU 85 Ca 0.28 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.22 1i1s h LEU 85 Cb 0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1i1s h LEU 85 CO -0.04 0.68 -0.03 0.10 0.09 0.00 0.00 178.44 179.23 1i1s h TYR 86 N 0.97 -0.07 -0.95 1.13 -0.00 -0.45 -3.27 116.97 114.33 1i1s h TYR 86 Ca 0.25 0.01 0.14 0.00 0.00 0.00 0.00 58.73 59.13 1i1s h TYR 86 Cb 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 36.73 36.70 1i1s h TYR 86 CO 0.01 -0.06 0.61 0.00 -0.00 0.00 0.00 178.16 178.72 1i1s h ALA 87 N 1.13 1.68 -0.86 0.10 0.00 0.46 0.54 119.26 122.32 1i1s h ALA 87 Ca 0.06 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1i1s h ALA 87 Cb 0.10 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 1i1s h ALA 87 CO -0.13 0.06 0.55 -0.56 0.00 0.00 0.00 179.25 179.17 1i1s h GLN 88 N 0.83 0.79 0.00 0.00 3.07 -0.53 -2.84 115.11 116.44 1i1s h GLN 88 Ca 0.49 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 59.18 1i1s h GLN 88 Cb 0.64 -0.18 0.00 0.00 0.08 0.00 0.00 27.48 28.02 1i1s h GLN 88 CO -0.25 0.53 -0.37 0.39 0.09 0.00 0.00 178.83 179.21 1i1s n GLU 89 N -4.52 0.20 0.15 0.06 -0.58 0.28 -4.69 120.64 111.54 1i1s n GLU 89 Ca 0.15 0.08 0.01 0.00 -0.42 0.00 0.00 57.16 56.98 1i1s n GLU 89 Cb 0.32 -0.79 0.20 0.00 -0.57 0.00 0.00 31.44 30.60 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 -0.37 0.00 -4.63 1.62 -1.24 -0.24 -3.46 115.58 107.25 1i1s h ASN 90 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1i1s h ASN 90 Cb 0.37 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 1i1s h ASN 90 CO 0.00 0.55 -0.79 0.00 -1.29 0.00 0.00 177.43 175.90 1i1s n ALA 91 N -2.36 -3.39 -1.86 1.57 0.00 -1.01 -4.85 120.51 108.61 1i1s n ALA 91 Ca -0.01 0.46 -0.36 0.00 0.00 0.00 0.00 53.44 53.53 1i1s n ALA 91 Cb 0.61 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.23 4.46 -0.34 0.00 0.04 -1.26 -3.85 135.00 132.82 1i1s s PRO 92 Ca -0.01 1.19 -0.34 0.00 0.04 0.00 0.00 61.00 61.88 1i1s s PRO 92 Cb 0.00 -2.73 -0.10 0.00 0.04 0.00 0.00 34.50 31.70 1i1s s PRO 92 CO 0.61 0.27 2.21 -1.91 0.04 0.00 0.00 177.00 178.21 1i1s n GLU 93 N 0.43 1.21 0.07 4.56 0.00 -1.26 -4.77 120.64 120.87 1i1s n GLU 93 Ca 0.02 0.32 0.00 0.00 0.00 0.00 0.00 57.16 57.50 1i1s n GLU 93 Cb 0.51 -2.61 0.00 0.00 0.00 0.00 0.00 31.44 29.34 1i1s n GLU 93 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1i1s n LEU 94 N 10.34 -0.71 -0.03 4.31 4.77 -1.25 -4.69 117.00 129.73 1i1s n LEU 94 Ca 0.40 0.25 0.24 0.00 -0.03 0.00 0.00 56.01 56.87 1i1s n LEU 94 Cb 0.27 0.84 0.72 0.00 -2.33 0.00 0.00 43.42 42.92 1i1s n LEU 94 CO 0.74 -0.44 1.22 -0.07 -1.33 0.00 0.00 177.39 177.51 1i1s h LEU 95 N 0.00 0.00 -0.46 2.23 3.38 -1.86 -3.51 115.31 115.08 1i1s h LEU 95 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i1s h LEU 95 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1i1s h LEU 95 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.70