#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 -6.92 0.26 6.12 7.64 -1.26 -4.20 113.62 115.26 1i1s n SER 2 Ca 0.00 0.70 0.12 0.00 1.01 0.00 0.00 58.87 60.70 1i1s n SER 2 Cb 0.00 -3.66 0.72 0.00 -1.01 0.00 0.00 64.21 60.26 1i1s n SER 2 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1i1s h LYS 3 N -1.10 0.00 -0.89 1.43 -0.00 -2.00 -3.40 116.57 110.61 1i1s h LYS 3 Ca -0.04 0.00 0.04 0.00 -0.00 0.00 0.00 60.65 60.65 1i1s h LYS 3 Cb 1.08 0.00 -0.05 0.00 -0.00 0.00 0.00 32.23 33.25 1i1s h LYS 3 CO 0.03 0.12 0.59 -0.39 -0.00 0.00 0.00 179.45 179.79 1i1s h VAL 4 N 0.00 1.13 -0.91 0.07 -1.51 -1.92 0.53 116.25 113.64 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 0.29 -0.06 -0.05 0.00 -2.13 0.00 0.00 31.29 29.34 1i1s h VAL 4 CO 0.01 0.20 0.60 0.74 -1.23 0.00 0.00 177.57 177.89 1i1s h THR 5 N 1.09 1.13 -0.57 7.19 2.02 -1.85 0.18 112.91 122.11 1i1s h THR 5 Ca 0.36 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 1i1s h THR 5 Cb 0.06 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.37 1i1s h THR 5 CO -0.12 0.20 0.11 1.88 0.37 0.00 0.00 175.52 177.96 1i1s h TYR 6 N 1.11 0.93 -0.53 3.16 0.05 -0.25 0.29 116.97 121.73 1i1s h TYR 6 Ca 0.37 -0.10 0.04 0.00 0.05 0.00 0.00 58.73 59.08 1i1s h TYR 6 Cb 0.08 -0.27 -0.04 0.00 1.01 0.00 0.00 36.73 37.51 1i1s h TYR 6 CO -0.00 0.79 0.30 0.82 -1.05 0.00 0.00 178.16 179.02 1i1s h ILE 7 N 0.85 1.00 -0.20 -2.88 1.08 -0.47 0.49 117.51 117.39 1i1s h ILE 7 Ca 0.18 -0.20 0.04 0.00 -0.39 0.00 0.00 64.86 64.49 1i1s h ILE 7 Cb 0.36 0.37 -0.04 0.00 -3.07 0.00 0.00 36.82 34.44 1i1s h ILE 7 CO 0.00 0.11 -0.05 0.40 -0.69 0.00 0.00 178.15 177.92 1i1s h ILE 8 N 0.58 0.79 -0.16 -0.67 2.04 -0.55 0.43 117.51 119.97 1i1s h ILE 8 Ca 0.23 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.13 1i1s h ILE 8 Cb 0.09 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 1i1s h ILE 8 CO -0.13 0.00 -0.12 0.50 0.00 0.00 0.00 178.15 178.40 1i1s h LYS 9 N -0.01 -0.12 -0.16 2.37 1.63 -0.22 0.18 116.57 120.24 1i1s h LYS 9 Ca 0.10 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.85 1i1s h LYS 9 Cb 0.15 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1i1s h LYS 9 CO -0.21 -0.08 -0.12 0.00 -3.45 0.00 0.00 179.45 175.59 1i1s h ALA 10 N 0.99 0.24 -0.60 5.00 0.00 0.14 -2.56 119.26 122.47 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 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 1i1s h ALA 10 CO -0.24 0.09 0.15 1.03 0.00 0.00 0.00 179.25 180.27 1i1s h SER 11 N 0.03 0.04 0.00 0.00 0.87 -0.88 -3.47 113.55 110.14 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 0.62 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 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 -5.10 0.00 -3.81 6.23 2.85 -0.06 -4.76 115.26 110.60 1i1s n ASN 12 Ca 0.09 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.33 1i1s n ASN 12 Cb 0.32 0.00 0.01 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 -0.96 -0.06 1.20 -0.08 0.45 -4.91 116.55 112.19 1i1s n ASP 13 Ca 0.00 -0.89 -0.06 0.00 -1.51 0.00 0.00 54.79 52.33 1i1s n ASP 13 Cb 0.00 -3.64 -0.02 0.00 2.34 0.00 0.00 41.12 39.80 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 -4.34 1.12 -0.90 5.18 0.31 -1.26 -5.06 118.33 113.39 1i1s n VAL 14 Ca -0.29 0.24 -0.29 0.00 -0.01 0.00 0.00 64.34 63.99 1i1s n VAL 14 Cb 0.67 -2.16 0.19 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 -7.25 1.68 0.00 7.52 2.01 -1.26 -5.06 118.68 116.32 1i1s s LEU 15 Ca -0.19 1.52 0.00 0.00 0.01 0.00 0.00 54.13 55.47 1i1s s LEU 15 Cb 0.03 -3.70 0.00 0.00 0.01 0.00 0.00 46.19 42.52 1i1s s LEU 15 CO 0.28 -3.37 0.00 0.59 1.01 0.00 0.00 176.35 174.87 1i1s n ASN 16 N -4.36 0.00 0.01 2.29 4.13 -1.26 -4.82 115.26 111.25 1i1s n ASN 16 Ca 0.06 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.21 1i1s n ASN 16 Cb 0.55 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.75 1i1s n ASN 16 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1i1s h GLU 17 N 0.00 -0.38 -0.05 3.52 5.08 -1.98 -3.11 114.58 117.66 1i1s h GLU 17 Ca 0.00 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1i1s h GLU 17 Cb 0.00 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1i1s h GLU 17 CO 0.00 -0.25 0.02 0.87 -1.00 0.00 0.00 179.01 178.64 1i1s h LYS 18 N -0.39 0.08 -0.05 2.33 1.57 -1.97 0.80 116.57 118.94 1i1s h LYS 18 Ca 0.09 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 1i1s h LYS 18 Cb 0.53 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1i1s h LYS 18 CO -0.33 0.26 -0.46 1.79 -0.57 0.00 0.00 179.45 180.14 1i1s h THR 19 N -0.12 1.33 -0.34 -0.16 1.35 -1.91 -1.56 112.91 111.51 1i1s h THR 19 Ca 0.02 -1.61 -0.01 0.00 -0.55 0.00 0.00 66.41 64.26 1i1s h THR 19 Cb 0.21 1.81 -0.02 0.00 -1.73 0.00 0.00 68.15 68.43 1i1s h THR 19 CO -0.00 0.47 0.18 0.00 -0.25 0.00 0.00 175.52 175.92 1i1s h ALA 20 N 1.44 0.43 -0.45 6.62 0.00 -1.18 0.22 119.26 126.34 1i1s h ALA 20 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1i1s h ALA 20 Cb 0.85 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1i1s h ALA 20 CO 0.06 -0.03 -0.08 0.00 0.00 0.00 0.00 179.25 179.21 1i1s h THR 21 N 0.42 1.27 0.12 0.00 1.03 -0.84 -1.46 112.91 113.44 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 0.08 1.11 0.00 0.00 -1.07 0.00 0.00 68.15 68.27 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 0.69 0.93 -0.99 0.00 1.08 -1.11 0.29 117.51 118.40 1i1s h ILE 22 Ca 0.12 -0.17 0.18 0.00 -0.39 0.00 0.00 64.86 64.60 1i1s h ILE 22 Cb 0.61 1.04 -0.10 0.00 -3.07 0.00 0.00 36.82 35.31 1i1s h ILE 22 CO 0.04 0.04 0.61 0.25 -0.69 0.00 0.00 178.15 178.41 1i1s h LEU 23 N -0.24 0.73 -0.35 1.44 5.85 -0.62 -1.98 115.31 120.15 1i1s h LEU 23 Ca -0.02 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1i1s h LEU 23 Cb 0.19 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1i1s h LEU 23 CO 0.03 0.28 0.01 0.40 -0.34 0.00 0.00 178.44 178.82 1i1s h ILE 24 N 0.72 1.26 -0.03 4.05 1.08 -0.09 0.47 117.51 124.97 1i1s h ILE 24 Ca 0.55 -0.95 0.01 0.00 -0.39 0.00 0.00 64.86 64.07 1i1s h ILE 24 Cb 0.91 1.19 -0.01 0.00 -3.07 0.00 0.00 36.82 35.84 1i1s h ILE 24 CO -0.32 0.32 -0.01 0.74 -0.69 0.00 0.00 178.15 178.18 1i1s h THR 25 N 0.42 0.96 -0.03 -0.27 2.02 0.21 0.12 112.91 116.35 1i1s h THR 25 Ca 0.10 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.29 1i1s h THR 25 Cb 0.44 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1i1s h THR 25 CO 0.02 0.00 -0.02 0.40 0.37 0.00 0.00 175.52 176.29 1i1s h ILE 26 N -0.00 0.95 -0.56 3.11 2.04 -1.41 -2.95 117.51 118.69 1i1s h ILE 26 Ca 0.02 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.98 1i1s h ILE 26 Cb 0.03 0.95 -0.08 0.00 -0.74 0.00 0.00 36.82 36.98 1i1s h ILE 26 CO -0.03 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.23 1i1s h ALA 27 N 1.01 0.64 0.41 1.87 0.00 0.62 -0.86 119.26 122.96 1i1s h ALA 27 Ca 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1i1s h ALA 27 Cb 0.04 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1i1s h ALA 27 CO -0.04 -0.31 -0.45 -0.22 0.00 0.00 0.00 179.25 178.24 1i1s h LYS 28 N 0.25 -0.85 -5.30 0.00 3.11 -0.83 -3.43 116.57 109.52 1i1s h LYS 28 Ca 0.29 0.06 -0.61 0.00 -2.81 0.00 0.00 60.65 57.57 1i1s h LYS 28 Cb 0.41 0.19 -0.13 0.00 -1.00 0.00 0.00 32.23 31.70 1i1s h LYS 28 CO -0.37 -0.57 -0.26 0.21 -2.81 0.00 0.00 179.45 175.65 1i1s s LYS 29 N -5.92 4.12 -0.38 1.90 2.20 -0.33 -5.03 119.74 116.31 1i1s s LYS 29 Ca -0.17 0.08 -0.19 0.00 -0.36 0.00 0.00 55.97 55.32 1i1s s LYS 29 Cb 0.05 -3.56 0.01 0.00 -1.51 0.00 0.00 37.83 32.82 1i1s s LYS 29 CO 0.62 -0.07 0.58 -0.51 -0.36 0.00 0.00 175.35 175.61 1i1s s ASP 30 N 1.17 6.35 -1.04 1.43 1.01 -1.26 -2.69 116.67 121.65 1i1s s ASP 30 Ca 0.16 -0.07 -0.07 0.00 0.71 0.00 0.00 52.55 53.29 1i1s s ASP 30 Cb -0.15 -2.30 -0.06 0.00 1.01 0.00 0.00 42.92 41.42 1i1s s ASP 30 CO 0.08 -0.59 0.90 0.49 0.21 0.00 0.00 175.17 176.25 1i1s n PHE 31 N 5.96 -2.46 0.00 4.23 3.01 -1.25 -5.05 117.46 121.91 1i1s n PHE 31 Ca -0.03 0.85 0.00 0.00 1.01 0.00 0.00 57.45 59.28 1i1s n PHE 31 Cb 0.48 -4.07 0.00 0.00 -0.01 0.00 0.00 39.48 35.88 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 -3.21 0.00 -4.01 4.37 3.06 -1.10 -4.86 119.36 113.62 1i1s n ILE 32 Ca -0.07 0.00 -0.10 0.00 -2.50 0.00 0.00 62.75 60.08 1i1s n ILE 32 Cb 0.61 0.00 -0.03 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 -0.89 0.00 -0.36 9.51 -2.24 -1.26 -3.84 114.28 115.19 1i1s n THR 33 Ca 0.00 -1.24 0.07 0.00 -2.27 0.00 0.00 64.05 60.61 1i1s n THR 33 Cb 0.00 0.69 0.24 0.00 -2.10 0.00 0.00 70.33 69.16 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 1.71 1.52 -0.12 6.98 0.00 -1.94 -2.23 119.26 125.17 1i1s h ALA 34 Ca -0.15 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1i1s h ALA 34 Cb 0.71 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1i1s h ALA 34 CO 0.21 0.21 -0.04 0.00 0.00 0.00 0.00 179.25 179.64 1i1s h ALA 35 N 1.54 0.07 -0.87 0.00 0.00 -1.99 0.97 119.26 118.99 1i1s h ALA 35 Ca 0.50 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.43 1i1s h ALA 35 Cb 0.50 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1i1s h ALA 35 CO -0.27 -0.49 0.44 1.49 0.00 0.00 0.00 179.25 180.42 1i1s h GLU 36 N -0.01 1.24 -0.37 0.00 4.81 -1.89 0.33 114.58 118.67 1i1s h GLU 36 Ca 0.06 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1i1s h GLU 36 Cb 0.11 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1i1s h GLU 36 CO -0.13 0.93 0.24 0.28 -0.73 0.00 0.00 179.01 179.59 1i1s h VAL 37 N 1.23 1.07 -0.73 0.32 2.07 -0.96 0.43 116.25 119.68 1i1s h VAL 37 Ca 0.30 -0.17 0.12 0.00 0.82 0.00 0.00 66.70 67.78 1i1s h VAL 37 Cb 0.08 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 30.32 1i1s h VAL 37 CO -0.04 0.09 0.33 0.03 0.02 0.00 0.00 177.57 177.99 1i1s h ARG 38 N 0.48 0.50 -0.27 1.57 3.08 -0.36 -2.71 114.38 116.68 1i1s h ARG 38 Ca 0.14 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 60.00 1i1s h ARG 38 Cb -0.03 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 1i1s h ARG 38 CO -0.04 0.33 -0.46 0.93 -1.07 0.00 0.00 179.97 179.66 1i1s h GLU 39 N 0.52 0.79 0.00 0.04 4.39 0.10 -3.26 114.58 117.17 1i1s h GLU 39 Ca 0.39 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1i1s h GLU 39 Cb 0.51 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1i1s h GLU 39 CO -0.34 1.12 -0.23 1.55 -1.16 0.00 0.00 179.01 179.95 1i1s n VAL 40 N -4.11 0.12 -2.02 3.13 3.14 0.14 -4.62 118.33 114.11 1i1s n VAL 40 Ca -0.05 -0.07 -0.42 0.00 -2.96 0.00 0.00 64.34 60.84 1i1s n VAL 40 Cb 0.58 -0.24 -0.03 0.00 -1.06 0.00 0.00 33.84 33.09 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 -3.03 2.45 0.01 1.45 -3.43 -1.03 -4.82 115.29 106.88 1i1s s HIS 41 Ca 0.12 0.43 -0.19 0.00 -0.80 0.00 0.00 55.06 54.62 1i1s s HIS 41 Cb 0.17 -3.87 -0.10 0.00 -1.43 0.00 0.00 32.58 27.34 1i1s s HIS 41 CO 0.61 -3.49 1.01 -1.00 -2.00 0.00 0.00 174.74 169.88 1i1s h PRO 42 N 8.44 -0.65 -0.76 -0.38 0.13 -1.89 -3.46 132.00 133.43 1i1s h PRO 42 Ca -0.41 0.04 -0.47 0.00 -0.87 0.00 0.00 66.00 64.30 1i1s h PRO 42 Cb 1.19 0.15 -0.42 0.00 0.13 0.00 0.00 31.00 32.05 1i1s h PRO 42 CO 0.93 -0.43 -0.90 -0.40 -0.23 0.00 0.00 178.00 176.97 1i1s n ASP 43 N -4.30 3.93 -0.01 1.44 5.75 -1.26 -4.55 116.55 117.56 1i1s n ASP 43 Ca -0.08 -3.28 -0.01 0.00 -0.01 0.00 0.00 54.79 51.41 1i1s n ASP 43 Cb 0.26 -0.39 -0.00 0.00 -1.03 0.00 0.00 41.12 39.96 1i1s n ASP 43 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1i1s n LEU 44 N -0.63 0.18 0.00 -2.12 4.32 -1.26 -5.06 117.00 112.43 1i1s n LEU 44 Ca 0.33 0.08 0.00 0.00 -0.02 0.00 0.00 56.01 56.40 1i1s n LEU 44 Cb 0.89 -0.53 0.00 0.00 -1.62 0.00 0.00 43.42 42.17 1i1s n LEU 44 CO 0.31 -0.48 0.00 0.61 -1.22 0.00 0.00 177.39 176.60 1i1s n GLY 45 N 1.54 4.21 0.07 -0.72 0.00 -1.26 -4.78 105.19 104.25 1i1s n GLY 45 Ca -0.01 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.09 -0.31 1.61 -1.07 -1.94 0.45 115.58 114.23 1i1s h ASN 46 Ca 0.00 0.03 -0.02 0.00 0.07 0.00 0.00 56.30 56.38 1i1s h ASN 46 Cb 0.00 0.06 -0.01 0.00 -2.07 0.00 0.00 38.32 36.29 1i1s h ASN 46 CO 0.00 -0.04 0.13 0.00 0.07 0.00 0.00 177.43 177.60 1i1s h ALA 47 N 1.07 0.41 -0.71 4.14 0.00 -2.01 -2.62 119.26 119.54 1i1s h ALA 47 Ca 0.04 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1i1s h ALA 47 Cb 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1i1s h ALA 47 CO -0.09 -0.00 0.19 -0.39 0.00 0.00 0.00 179.25 178.96 1i1s h VAL 48 N 0.36 1.26 -0.71 0.00 -1.51 -1.79 -2.86 116.25 110.99 1i1s h VAL 48 Ca 0.11 -0.94 0.02 0.00 -1.23 0.00 0.00 66.70 64.66 1i1s h VAL 48 Cb 0.17 0.52 -0.04 0.00 -2.13 0.00 0.00 31.29 29.80 1i1s h VAL 48 CO -0.01 0.37 0.45 0.58 -1.23 0.00 0.00 177.57 177.73 1i1s h VAL 49 N 1.06 1.12 -0.51 7.19 2.07 0.12 0.57 116.25 127.87 1i1s h VAL 49 Ca 0.23 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.52 1i1s h VAL 49 Cb 0.35 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.19 1i1s h VAL 49 CO -0.00 0.16 0.12 -1.13 0.02 0.00 0.00 177.57 176.75 1i1s h ASN 50 N 0.90 0.05 -0.57 0.57 -0.73 -1.42 -2.25 115.58 112.13 1i1s h ASN 50 Ca 0.28 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.50 1i1s h ASN 50 Cb -0.01 0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.66 1i1s h ASN 50 CO -0.10 0.05 0.24 -1.28 -0.37 0.00 0.00 177.43 175.98 1i1s h SER 51 N 0.27 0.77 -0.45 1.15 0.87 -0.51 -2.76 113.55 112.88 1i1s h SER 51 Ca 0.25 -0.16 -0.12 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 -0.31 0.71 -0.20 0.78 -0.53 0.00 0.00 176.83 177.28 1i1s h ASN 52 N 0.77 0.96 -0.12 6.23 2.35 0.35 0.43 115.58 126.56 1i1s h ASN 52 Ca 0.19 -0.40 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 1i1s h ASN 52 Cb 0.17 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 1i1s h ASN 52 CO -0.02 1.14 -0.01 0.40 -1.65 0.00 0.00 177.43 177.30 1i1s h ILE 53 N 0.77 1.26 -0.72 2.81 2.04 -1.50 -2.18 117.51 119.99 1i1s h ILE 53 Ca 0.10 -0.84 0.03 0.00 1.00 0.00 0.00 64.86 65.15 1i1s h ILE 53 Cb 0.77 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 38.40 1i1s h ILE 53 CO 0.06 0.24 0.46 1.23 0.00 0.00 0.00 178.15 180.14 1i1s h GLY 54 N -0.07 1.03 1.48 5.37 0.00 -1.25 -0.26 103.07 109.38 1i1s h GLY 54 Ca 0.03 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 1i1s h GLY 54 CO 0.01 0.30 -0.28 -0.24 0.00 0.00 0.00 176.54 176.33 1i1s h VAL 55 N 0.90 1.28 -0.45 4.60 3.04 -0.14 0.54 116.25 126.02 1i1s h VAL 55 Ca 0.28 -1.37 0.07 0.00 -1.01 0.00 0.00 66.70 64.67 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 -0.10 0.44 0.11 -0.07 -1.01 0.00 0.00 177.57 176.94 1i1s h LEU 56 N 0.51 0.05 -0.64 3.16 4.07 -1.22 -2.78 115.31 118.46 1i1s h LEU 56 Ca 0.07 0.07 -0.03 0.00 0.08 0.00 0.00 57.88 58.06 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 0.06 0.26 0.40 -1.08 0.00 0.00 178.44 178.14 1i1s h ILE 57 N 0.25 1.23 0.00 1.22 1.08 0.11 0.66 117.51 122.06 1i1s h ILE 57 Ca 0.22 -0.72 -0.06 0.00 -0.39 0.00 0.00 64.86 63.91 1i1s h ILE 57 Cb 0.27 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 34.53 1i1s h ILE 57 CO -0.27 0.28 -0.29 0.07 -0.69 0.00 0.00 178.15 177.25 1i1s h LYS 58 N 0.89 0.00 -0.02 2.37 2.10 -0.02 -2.23 116.57 119.66 1i1s h LYS 58 Ca 0.21 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.83 1i1s h LYS 58 Cb 0.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 1i1s h LYS 58 CO -0.02 0.29 -0.12 0.87 -2.00 0.00 0.00 179.45 178.47 1i1s h LYS 59 N 0.00 0.12 -3.87 0.07 1.57 -1.18 -3.49 116.57 109.80 1i1s h LYS 59 Ca -0.00 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1i1s h LYS 59 Cb 0.54 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.82 1i1s h LYS 59 CO 0.04 0.77 -0.69 0.41 -0.57 0.00 0.00 179.45 179.40 1i1s n GLY 60 N 0.74 -3.96 3.16 3.86 0.00 0.12 -5.06 105.19 104.06 1i1s n GLY 60 Ca -0.09 0.56 0.03 0.00 0.00 0.00 0.00 46.02 46.53 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 -1.60 -0.00 0.99 2.34 0.21 -4.95 118.68 115.35 1i1s s LEU 61 Ca -0.12 -0.04 -0.12 0.00 0.06 0.00 0.00 54.13 53.91 1i1s s LEU 61 Cb 0.01 2.01 0.01 0.00 -0.56 0.00 0.00 46.19 47.67 1i1s s LEU 61 CO 0.35 -0.27 0.24 0.54 -1.06 0.00 0.00 176.35 176.15 1i1s s VAL 62 N 2.60 0.07 -0.19 1.48 0.11 -1.15 -4.62 120.40 118.71 1i1s s VAL 62 Ca 0.12 -0.59 -0.07 0.00 -2.93 0.00 0.00 61.98 58.51 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 0.05 -1.61 -3.33 0.00 0.00 175.10 169.67 1i1s s GLU 63 N -1.48 3.89 -0.17 1.54 2.02 0.14 -4.12 118.70 120.52 1i1s s GLU 63 Ca -0.13 -0.39 -0.29 0.00 0.02 0.00 0.00 54.97 54.18 1i1s s GLU 63 Cb -0.06 -3.18 -0.00 0.00 0.10 0.00 0.00 34.13 30.99 1i1s s GLU 63 CO 0.03 0.21 0.99 0.21 0.02 0.00 0.00 175.26 176.72 1i1s s LYS 64 N 0.53 4.33 -0.31 1.61 2.20 -1.26 -0.33 119.74 126.50 1i1s s LYS 64 Ca 0.02 1.31 0.01 0.00 -0.36 0.00 0.00 55.97 56.95 1i1s s LYS 64 Cb -0.13 -3.59 0.07 0.00 -1.51 0.00 0.00 37.83 32.67 1i1s s LYS 64 CO 0.01 -0.45 0.00 0.45 -0.36 0.00 0.00 175.35 175.00 1i1s s SER 65 N 1.16 4.78 -0.86 1.43 0.15 0.13 -4.92 113.70 115.56 1i1s s SER 65 Ca 0.45 -1.58 -0.10 0.00 0.70 0.00 0.00 55.95 55.42 1i1s s SER 65 Cb -0.17 -1.66 0.22 0.00 -1.71 0.00 0.00 66.02 62.70 1i1s s SER 65 CO 0.12 -0.30 0.78 -0.83 1.20 0.00 0.00 173.24 174.21 1i1s s GLY 66 N 1.22 2.79 -0.42 9.45 0.00 -1.26 -0.43 107.32 118.67 1i1s s GLY 66 Ca -0.02 -3.47 0.09 0.00 0.00 0.00 0.00 44.72 41.32 1i1s s GLY 66 CO -0.04 1.24 0.88 1.22 0.00 0.00 0.00 173.10 176.39 1i1s n ASP 67 N 3.47 -0.90 -3.60 1.64 8.00 -1.26 -5.15 116.55 118.75 1i1s n ASP 67 Ca 0.16 -3.28 -0.12 0.00 0.71 0.00 0.00 54.79 52.26 1i1s n ASP 67 Cb 0.43 0.65 -0.04 0.00 -0.02 0.00 0.00 41.12 42.14 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 -1.76 0.99 -0.13 0.44 0.00 0.43 -4.75 107.32 102.54 1i1s s GLY 68 Ca 0.32 -1.19 -0.07 0.00 0.00 0.00 0.00 44.72 43.77 1i1s s GLY 68 CO -0.09 -0.81 0.13 1.08 0.00 0.00 0.00 173.10 173.41 1i1s s LEU 69 N -3.13 4.30 -0.03 0.66 1.43 -1.25 0.17 118.68 120.83 1i1s s LEU 69 Ca 0.26 0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 53.58 1i1s s LEU 69 Cb -0.00 -2.05 0.04 0.00 0.03 0.00 0.00 46.19 44.20 1i1s s LEU 69 CO 0.14 0.38 0.44 0.27 0.23 0.00 0.00 176.35 177.81 1i1s s ILE 70 N -0.86 0.04 0.14 -0.59 -4.36 0.55 -3.85 121.20 112.26 1i1s s ILE 70 Ca 0.14 -0.30 -0.07 0.00 -0.26 0.00 0.00 60.65 60.16 1i1s s ILE 70 Cb -0.12 -0.74 -0.06 0.00 1.25 0.00 0.00 42.46 42.79 1i1s s ILE 70 CO 0.03 -0.16 0.41 0.27 0.24 0.00 0.00 174.94 175.73 1i1s s ILE 71 N -1.22 5.11 0.80 8.37 -4.36 -1.26 0.28 121.20 128.92 1i1s s ILE 71 Ca -0.12 0.23 -0.12 0.00 -0.26 0.00 0.00 60.65 60.38 1i1s s ILE 71 Cb -0.03 -3.63 0.07 0.00 1.25 0.00 0.00 42.46 40.12 1i1s s ILE 71 CO 0.06 0.09 1.14 0.42 0.24 0.00 0.00 174.94 176.89 1i1s s THR 72 N -1.61 2.49 0.59 8.37 -4.23 -1.26 -4.75 115.64 115.24 1i1s s THR 72 Ca 0.40 0.16 0.28 0.00 -1.18 0.00 0.00 61.69 61.35 1i1s s THR 72 Cb -0.12 -3.09 0.37 0.00 1.34 0.00 0.00 72.50 70.99 1i1s s THR 72 CO 0.22 -0.21 2.04 1.23 -0.54 0.00 0.00 174.62 177.36 1i1s h GLY 73 N -1.03 0.00 0.69 3.99 0.00 -1.99 -0.34 103.07 104.39 1i1s h GLY 73 Ca -0.47 0.00 0.03 0.00 0.00 0.00 0.00 47.33 46.89 1i1s h GLY 73 CO 0.64 0.00 -0.06 0.83 0.00 0.00 0.00 176.54 177.96 1i1s h GLU 74 N 0.00 -0.04 -0.30 4.80 3.07 -1.96 -1.91 114.58 118.24 1i1s h GLU 74 Ca 0.13 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.02 1i1s h GLU 74 Cb 0.69 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.58 1i1s h GLU 74 CO -0.00 -0.03 0.10 0.00 -1.40 0.00 0.00 179.01 177.68 1i1s h ALA 75 N 1.08 0.34 -0.82 3.43 0.00 -1.42 -2.49 119.26 119.38 1i1s h ALA 75 Ca 0.07 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.16 1i1s h ALA 75 Cb 0.14 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1i1s h ALA 75 CO -0.15 -0.30 0.54 1.96 0.00 0.00 0.00 179.25 181.29 1i1s h GLN 76 N 0.23 0.54 -0.27 0.00 4.20 -0.91 0.59 115.11 119.49 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 0.11 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1i1s h GLN 76 CO -0.14 0.36 -0.06 0.22 -0.67 0.00 0.00 178.83 178.54 1i1s h ASP 77 N 0.56 0.52 -0.25 1.46 3.58 -1.15 -2.76 116.42 118.38 1i1s h ASP 77 Ca 0.40 -0.36 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 1i1s h ASP 77 Cb 0.77 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 1i1s h ASP 77 CO -0.16 0.76 0.10 0.40 -2.88 0.00 0.00 179.24 177.46 1i1s h ILE 78 N 0.28 1.16 -0.27 2.25 1.08 0.40 -1.81 117.51 120.60 1i1s h ILE 78 Ca 0.07 -0.49 -0.03 0.00 -0.39 0.00 0.00 64.86 64.02 1i1s h ILE 78 Cb 0.52 1.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 1i1s h ILE 78 CO 0.03 0.16 0.07 0.40 -0.69 0.00 0.00 178.15 178.12 1i1s h ILE 79 N 0.25 1.22 -0.32 -0.67 1.08 -0.43 0.42 117.51 119.05 1i1s h ILE 79 Ca 0.08 -0.71 0.02 0.00 -0.39 0.00 0.00 64.86 63.86 1i1s h ILE 79 Cb 0.16 1.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 1i1s h ILE 79 CO -0.01 0.23 0.18 0.28 -0.69 0.00 0.00 178.15 178.14 1i1s h SER 80 N 0.27 0.28 -0.29 1.72 0.02 -1.45 0.99 113.55 115.09 1i1s h SER 80 Ca 0.09 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 1i1s h SER 80 Cb 0.29 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1i1s h SER 80 CO 0.00 0.21 -0.01 -1.13 -1.14 0.00 0.00 176.83 174.76 1i1s h ASN 81 N 0.37 0.51 -0.17 3.07 -1.24 -1.19 -2.87 115.58 114.05 1i1s h ASN 81 Ca 0.13 -0.32 -0.03 0.00 0.71 0.00 0.00 56.30 56.80 1i1s h ASN 81 Cb 0.01 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 1i1s h ASN 81 CO -0.07 0.70 0.00 0.00 -1.29 0.00 0.00 177.43 176.78 1i1s h ALA 82 N 0.83 0.23 -0.94 1.57 0.00 0.07 -0.52 119.26 120.50 1i1s h ALA 82 Ca 0.08 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.91 1i1s h ALA 82 Cb 0.44 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1i1s h ALA 82 CO 0.02 -0.06 0.60 0.00 0.00 0.00 0.00 179.25 179.80 1i1s h ALA 83 N 0.78 1.64 -0.64 0.00 0.00 -0.89 0.47 119.26 120.63 1i1s h ALA 83 Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1i1s h ALA 83 Cb 0.37 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1i1s h ALA 83 CO 0.01 0.14 0.32 1.15 0.00 0.00 0.00 179.25 180.87 1i1s h THR 84 N 0.89 1.20 -0.70 0.00 2.02 -1.20 0.48 112.91 115.59 1i1s h THR 84 Ca 0.46 -0.54 -0.07 0.00 0.77 0.00 0.00 66.41 67.03 1i1s h THR 84 Cb 0.52 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1i1s h THR 84 CO -0.22 0.23 0.17 -0.07 0.37 0.00 0.00 175.52 176.00 1i1s h LEU 85 N 0.89 1.07 -0.92 2.58 3.38 0.14 0.28 115.31 122.72 1i1s h LEU 85 Ca 0.22 -0.23 0.17 0.00 0.09 0.00 0.00 57.88 58.13 1i1s h LEU 85 Cb 0.06 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 40.43 1i1s h LEU 85 CO -0.03 1.02 0.52 0.22 0.09 0.00 0.00 178.44 180.25 1i1s h TYR 86 N 1.07 0.90 -0.62 1.13 5.03 -0.29 -3.06 116.97 121.13 1i1s h TYR 86 Ca 0.22 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.54 1i1s h TYR 86 Cb 0.37 -0.26 -0.03 0.00 1.55 0.00 0.00 36.73 38.36 1i1s h TYR 86 CO 0.03 0.21 0.27 0.00 -1.32 0.00 0.00 178.16 177.35 1i1s h ALA 87 N 1.60 0.80 -0.71 1.82 0.00 0.34 0.16 119.26 123.28 1i1s h ALA 87 Ca 0.52 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.29 1i1s h ALA 87 Cb 0.77 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1i1s h ALA 87 CO -0.38 0.39 0.46 -0.56 0.00 0.00 0.00 179.25 179.16 1i1s h GLN 88 N 0.85 0.89 0.00 0.00 3.07 -0.99 -3.01 115.11 115.92 1i1s h GLN 88 Ca 0.21 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.90 1i1s h GLN 88 Cb 0.16 -0.20 0.00 0.00 0.08 0.00 0.00 27.48 27.52 1i1s h GLN 88 CO -0.02 0.59 -0.85 0.39 0.09 0.00 0.00 178.83 179.03 1i1s n GLU 89 N -4.63 0.45 0.14 0.06 1.02 -1.11 -4.60 120.64 111.97 1i1s n GLU 89 Ca 0.07 0.18 -0.14 0.00 -0.02 0.00 0.00 57.16 57.25 1i1s n GLU 89 Cb 0.05 -1.29 -0.08 0.00 -0.02 0.00 0.00 31.44 30.10 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 -0.85 -0.26 -4.55 1.62 -1.24 -0.90 -3.43 115.58 105.96 1i1s h ASN 90 Ca 0.00 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 56.92 1i1s h ASN 90 Cb 0.85 0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.97 1i1s h ASN 90 CO 0.00 -0.06 -0.50 0.00 -1.29 0.00 0.00 177.43 175.58 1i1s n ALA 91 N -2.30 -3.16 -1.79 1.57 0.00 -0.66 -4.88 120.51 109.30 1i1s n ALA 91 Ca -0.09 0.63 -0.36 0.00 0.00 0.00 0.00 53.44 53.62 1i1s n ALA 91 Cb 0.19 -1.83 -0.03 0.00 0.00 0.00 0.00 19.45 17.78 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 -1.71 3.95 -0.93 0.00 0.04 -1.26 -2.99 135.00 132.11 1i1s s PRO 92 Ca 0.10 1.50 -0.26 0.00 0.04 0.00 0.00 61.00 62.38 1i1s s PRO 92 Cb -0.03 -2.35 -0.22 0.00 0.04 0.00 0.00 34.50 31.95 1i1s s PRO 92 CO 0.54 -0.33 1.98 0.39 0.04 0.00 0.00 177.00 179.63 1i1s n GLU 93 N -0.49 0.53 -0.11 4.56 1.02 -1.26 -4.73 120.64 120.17 1i1s n GLU 93 Ca 0.07 -1.79 -0.18 0.00 -0.02 0.00 0.00 57.16 55.23 1i1s n GLU 93 Cb 0.50 -3.61 -0.10 0.00 -0.02 0.00 0.00 31.44 28.21 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 16.22 2.58 0.13 -4.62 4.77 -1.16 -4.94 117.00 129.99 1i1s n LEU 94 Ca 0.43 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1i1s n LEU 94 Cb 0.46 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1i1s n LEU 94 CO 0.73 0.76 -0.00 -0.11 -1.33 0.00 0.00 177.39 177.44 1i1s n LEU 95 N -3.43 0.11 0.00 2.23 -0.00 -1.26 -5.10 117.00 109.55 1i1s n LEU 95 Ca -0.42 0.42 0.04 0.00 -0.00 0.00 0.00 56.01 56.06 1i1s n LEU 95 Cb 0.89 0.25 0.23 0.00 -0.00 0.00 0.00 43.42 44.79 1i1s n LEU 95 CO 0.16 -0.79 0.46 0.29 -0.00 0.00 0.00 177.39 177.51