#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1s s SER 2 N 0.00 -1.31 0.04 6.12 0.01 -1.26 -5.02 113.70 112.28 1i1s s SER 2 Ca 0.00 0.50 -0.26 0.00 1.31 0.00 0.00 55.95 57.50 1i1s s SER 2 Cb 0.00 2.01 -0.17 0.00 0.21 0.00 0.00 66.02 68.07 1i1s s SER 2 CO 0.00 -0.28 1.48 0.50 0.41 0.00 0.00 173.24 175.34 1i1s h LYS 3 N 8.02 -0.27 -0.83 12.44 3.64 -1.99 -3.33 116.57 134.25 1i1s h LYS 3 Ca -0.13 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1i1s h LYS 3 Cb 1.17 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 33.01 1i1s h LYS 3 CO 0.22 -0.03 0.49 -0.39 -2.27 0.00 0.00 179.45 177.46 1i1s h VAL 4 N -0.47 1.23 -1.00 2.00 -1.51 -1.91 -0.61 116.25 113.97 1i1s h VAL 4 Ca -0.03 -0.53 0.04 0.00 -1.23 0.00 0.00 66.70 64.95 1i1s h VAL 4 Cb 0.36 0.08 -0.06 0.00 -2.13 0.00 0.00 31.29 29.54 1i1s h VAL 4 CO 0.05 0.25 0.66 0.74 -1.23 0.00 0.00 177.57 178.03 1i1s h THR 5 N 1.15 1.16 -0.65 7.19 2.02 -1.86 0.18 112.91 122.09 1i1s h THR 5 Ca 0.30 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 1i1s h THR 5 Cb -0.03 -0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.15 1i1s h THR 5 CO -0.05 0.23 0.26 1.88 0.37 0.00 0.00 175.52 178.20 1i1s h TYR 6 N 1.25 0.96 -0.37 3.16 0.05 -1.24 0.71 116.97 121.48 1i1s h TYR 6 Ca 0.41 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 59.13 1i1s h TYR 6 Cb 0.03 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.46 1i1s h TYR 6 CO -0.00 0.74 0.24 0.82 -1.05 0.00 0.00 178.16 178.91 1i1s h ILE 7 N 0.94 1.11 -0.22 -2.88 1.08 -0.24 0.43 117.51 117.73 1i1s h ILE 7 Ca 0.22 -0.24 0.04 0.00 -0.39 0.00 0.00 64.86 64.50 1i1s h ILE 7 Cb 0.19 0.60 -0.04 0.00 -3.07 0.00 0.00 36.82 34.49 1i1s h ILE 7 CO -0.02 0.11 -0.04 0.40 -0.69 0.00 0.00 178.15 177.91 1i1s h ILE 8 N 0.50 0.80 -0.15 -0.67 2.04 -0.56 0.64 117.51 120.10 1i1s h ILE 8 Ca 0.14 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 66.03 1i1s h ILE 8 Cb -0.02 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1i1s h ILE 8 CO -0.03 0.00 -0.12 0.50 0.00 0.00 0.00 178.15 178.51 1i1s h LYS 9 N 0.02 -0.12 -0.17 2.37 3.64 -0.34 0.13 116.57 122.10 1i1s h LYS 9 Ca 0.11 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 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 -0.08 -0.13 0.00 -2.27 0.00 0.00 179.45 176.76 1i1s h ALA 10 N 0.98 0.24 -0.64 5.00 0.00 0.01 -2.73 119.26 122.12 1i1s h ALA 10 Ca 0.10 -0.31 0.09 0.00 0.00 0.00 0.00 54.91 54.79 1i1s h ALA 10 Cb 0.27 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1i1s h ALA 10 CO -0.23 0.10 0.29 1.03 0.00 0.00 0.00 179.25 180.43 1i1s h SER 11 N 0.04 0.34 0.00 0.00 0.87 -0.83 -3.47 113.55 110.50 1i1s h SER 11 Ca 0.03 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1i1s h SER 11 Cb 0.64 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1i1s h SER 11 CO 0.03 0.20 0.00 -3.20 -0.53 0.00 0.00 176.83 173.34 1i1s n ASN 12 N -4.93 0.00 -3.77 6.23 2.85 0.22 -4.74 115.26 111.13 1i1s n ASN 12 Ca 0.09 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.32 1i1s n ASN 12 Cb 0.26 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.30 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 -2.00 -0.08 1.20 2.03 0.09 -4.90 116.55 112.89 1i1s n ASP 13 Ca 0.00 -0.82 -0.07 0.00 0.52 0.00 0.00 54.79 54.42 1i1s n ASP 13 Cb 0.00 -3.95 -0.02 0.00 -0.72 0.00 0.00 41.12 36.42 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 1.37 -0.83 5.18 0.31 -1.26 -5.06 118.33 113.65 1i1s n VAL 14 Ca -0.22 0.18 -0.29 0.00 -0.01 0.00 0.00 64.34 64.01 1i1s n VAL 14 Cb 0.64 -2.30 0.20 0.00 -0.91 0.00 0.00 33.84 31.47 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 -7.77 1.57 0.00 7.52 2.01 -1.26 -5.06 118.68 115.68 1i1s s LEU 15 Ca -0.24 1.54 0.00 0.00 0.01 0.00 0.00 54.13 55.45 1i1s s LEU 15 Cb 0.03 -3.68 0.00 0.00 0.01 0.00 0.00 46.19 42.55 1i1s s LEU 15 CO 0.35 -3.51 0.00 0.59 1.01 0.00 0.00 176.35 174.79 1i1s n ASN 16 N -4.46 0.00 0.20 2.29 3.02 -1.26 -4.84 115.26 110.21 1i1s n ASN 16 Ca 0.05 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.45 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 -0.68 -0.05 3.52 3.07 -1.98 -3.22 114.58 115.25 1i1s h GLU 17 Ca 0.00 0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1i1s h GLU 17 Cb 0.00 0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1i1s h GLU 17 CO 0.00 -0.45 0.01 0.87 -1.40 0.00 0.00 179.01 178.04 1i1s h LYS 18 N -0.71 0.07 -0.19 2.33 1.57 -1.96 0.11 116.57 117.80 1i1s h LYS 18 Ca -0.01 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 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 -0.09 0.25 -0.16 1.79 -0.57 0.00 0.00 179.45 180.67 1i1s h THR 19 N -0.12 1.21 -0.33 -0.16 1.35 -1.90 -0.96 112.91 112.00 1i1s h THR 19 Ca 0.02 -0.95 -0.01 0.00 -0.55 0.00 0.00 66.41 64.92 1i1s h THR 19 Cb 0.21 1.25 -0.02 0.00 -1.73 0.00 0.00 68.15 67.87 1i1s h THR 19 CO -0.00 0.30 0.18 0.00 -0.25 0.00 0.00 175.52 175.75 1i1s h ALA 20 N 1.54 0.43 -0.27 6.62 0.00 -1.03 0.21 119.26 126.76 1i1s h ALA 20 Ca 0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1i1s h ALA 20 Cb 0.46 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1i1s h ALA 20 CO 0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 179.25 179.19 1i1s h THR 21 N 0.42 1.28 0.06 0.00 1.03 -0.77 -1.92 112.91 113.00 1i1s h THR 21 Ca 0.12 -1.05 0.00 0.00 -0.01 0.00 0.00 66.41 65.47 1i1s h THR 21 Cb 0.06 1.41 -0.01 0.00 -1.07 0.00 0.00 68.15 68.54 1i1s h THR 21 CO -0.02 0.33 -0.07 0.40 -0.01 0.00 0.00 175.52 176.16 1i1s h ILE 22 N 0.28 0.84 -0.97 0.00 1.08 -1.04 0.30 117.51 118.00 1i1s h ILE 22 Ca 0.07 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.71 1i1s h ILE 22 Cb 0.51 0.84 -0.10 0.00 -3.07 0.00 0.00 36.82 35.01 1i1s h ILE 22 CO 0.02 0.00 0.58 0.25 -0.69 0.00 0.00 178.15 178.31 1i1s h LEU 23 N -0.15 0.75 -0.24 1.44 5.85 -0.64 -2.14 115.31 120.18 1i1s h LEU 23 Ca 0.01 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1i1s h LEU 23 Cb 0.15 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1i1s h LEU 23 CO -0.02 0.29 0.03 0.40 -0.34 0.00 0.00 178.44 178.80 1i1s h ILE 24 N 0.77 1.24 -0.36 4.05 1.08 -0.28 0.44 117.51 124.45 1i1s h ILE 24 Ca 0.55 -0.81 0.02 0.00 -0.39 0.00 0.00 64.86 64.22 1i1s h ILE 24 Cb 0.79 1.30 -0.03 0.00 -3.07 0.00 0.00 36.82 35.82 1i1s h ILE 24 CO -0.36 0.26 0.21 0.74 -0.69 0.00 0.00 178.15 178.30 1i1s h THR 25 N 0.20 1.03 0.01 -0.27 2.02 0.06 0.13 112.91 116.09 1i1s h THR 25 Ca 0.07 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1i1s h THR 25 Cb 0.35 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1i1s h THR 25 CO 0.01 0.08 -0.01 0.40 0.37 0.00 0.00 175.52 176.37 1i1s h ILE 26 N 0.42 0.98 -0.54 3.11 2.04 -1.41 -3.04 117.51 119.07 1i1s h ILE 26 Ca 0.15 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.10 1i1s h ILE 26 Cb 0.02 0.98 -0.08 0.00 -0.74 0.00 0.00 36.82 37.00 1i1s h ILE 26 CO -0.08 0.00 0.12 0.00 0.00 0.00 0.00 178.15 178.19 1i1s h ALA 27 N 0.97 0.63 0.59 1.87 0.00 0.12 -1.32 119.26 122.12 1i1s h ALA 27 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1i1s h ALA 27 Cb 0.02 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1i1s h ALA 27 CO -0.00 -0.30 -0.40 0.87 0.00 0.00 0.00 179.25 179.42 1i1s h LYS 28 N 0.26 -0.92 -5.43 0.00 1.79 -0.88 -3.43 116.57 107.96 1i1s h LYS 28 Ca 0.28 0.06 -0.61 0.00 -2.18 0.00 0.00 60.65 58.20 1i1s h LYS 28 Cb 0.38 0.21 -0.12 0.00 -1.58 0.00 0.00 32.23 31.12 1i1s h LYS 28 CO -0.35 -0.61 0.03 0.21 -1.08 0.00 0.00 179.45 177.64 1i1s s LYS 29 N -5.99 4.11 -0.52 3.15 2.20 -0.50 -5.00 119.74 117.19 1i1s s LYS 29 Ca -0.18 0.40 -0.23 0.00 -0.36 0.00 0.00 55.97 55.60 1i1s s LYS 29 Cb 0.04 -3.63 0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1i1s s LYS 29 CO 0.62 -0.33 0.86 -0.51 -0.36 0.00 0.00 175.35 175.63 1i1s s ASP 30 N 1.44 6.34 -0.88 1.43 1.01 -1.26 -2.64 116.67 122.11 1i1s s ASP 30 Ca 0.23 -0.39 -0.05 0.00 0.71 0.00 0.00 52.55 53.05 1i1s s ASP 30 Cb -0.16 -2.40 -0.06 0.00 1.01 0.00 0.00 42.92 41.31 1i1s s ASP 30 CO 0.09 -1.11 0.77 0.49 0.21 0.00 0.00 175.17 175.62 1i1s n PHE 31 N 7.10 -2.07 0.00 4.23 3.72 -1.23 -5.03 117.46 124.19 1i1s n PHE 31 Ca 0.01 0.72 0.00 0.00 -0.05 0.00 0.00 57.45 58.13 1i1s n PHE 31 Cb 0.47 -3.88 0.00 0.00 -0.94 0.00 0.00 39.48 35.14 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 -2.96 0.00 -4.06 4.37 3.06 -1.08 -4.87 119.36 113.82 1i1s n ILE 32 Ca -0.06 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.07 1i1s n ILE 32 Cb 0.60 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.74 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 -0.97 0.00 -0.35 9.51 -2.24 -1.26 -3.80 114.28 115.17 1i1s n THR 33 Ca 0.00 -1.43 0.11 0.00 -2.27 0.00 0.00 64.05 60.46 1i1s n THR 33 Cb 0.00 0.78 0.30 0.00 -2.10 0.00 0.00 70.33 69.31 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 1.77 1.61 -0.12 6.98 0.00 -1.97 -2.12 119.26 125.41 1i1s h ALA 34 Ca -0.17 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1i1s h ALA 34 Cb 0.80 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1i1s h ALA 34 CO 0.24 0.01 -0.04 0.00 0.00 0.00 0.00 179.25 179.46 1i1s h ALA 35 N 1.62 0.07 -0.57 0.00 0.00 -1.97 0.58 119.26 118.99 1i1s h ALA 35 Ca 0.56 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.50 1i1s h ALA 35 Cb 0.80 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1i1s h ALA 35 CO -0.36 -0.49 0.29 1.49 0.00 0.00 0.00 179.25 180.18 1i1s h GLU 36 N -0.02 0.81 -0.82 0.00 4.81 -1.91 -0.25 114.58 117.21 1i1s h GLU 36 Ca 0.06 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1i1s h GLU 36 Cb 0.11 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 1i1s h GLU 36 CO -0.13 0.65 0.54 0.28 -0.73 0.00 0.00 179.01 179.61 1i1s h VAL 37 N 0.77 1.20 -0.69 0.32 2.07 -0.86 0.51 116.25 119.57 1i1s h VAL 37 Ca 0.20 -0.37 0.11 0.00 0.82 0.00 0.00 66.70 67.45 1i1s h VAL 37 Cb 0.09 0.01 -0.08 0.00 -1.52 0.00 0.00 31.29 29.79 1i1s h VAL 37 CO -0.03 0.20 0.28 0.03 0.02 0.00 0.00 177.57 178.07 1i1s h ARG 38 N 1.09 0.44 -0.28 1.57 3.08 -0.71 -2.99 114.38 116.59 1i1s h ARG 38 Ca 0.30 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 60.16 1i1s h ARG 38 Cb -0.11 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 1i1s h ARG 38 CO -0.07 0.29 -0.46 0.93 -1.07 0.00 0.00 179.97 179.59 1i1s h GLU 39 N 0.46 0.80 0.00 0.04 4.39 0.16 -3.23 114.58 117.20 1i1s h GLU 39 Ca 0.36 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1i1s h GLU 39 Cb 0.48 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1i1s h GLU 39 CO -0.34 1.12 -0.27 1.55 -1.16 0.00 0.00 179.01 179.91 1i1s n VAL 40 N -4.11 0.05 -2.01 3.13 3.14 0.13 -4.61 118.33 114.06 1i1s n VAL 40 Ca -0.04 -0.03 -0.42 0.00 -2.96 0.00 0.00 64.34 60.88 1i1s n VAL 40 Cb 0.58 -0.13 -0.03 0.00 -1.06 0.00 0.00 33.84 33.20 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 -3.02 2.40 0.01 1.45 -3.43 -1.13 -4.83 115.29 106.73 1i1s s HIS 41 Ca 0.12 0.39 -0.15 0.00 -0.80 0.00 0.00 55.06 54.62 1i1s s HIS 41 Cb 0.18 -3.89 -0.08 0.00 -1.43 0.00 0.00 32.58 27.36 1i1s s HIS 41 CO 0.62 -3.56 0.95 -1.00 -2.00 0.00 0.00 174.74 169.76 1i1s h PRO 42 N 8.53 -0.52 -0.79 -0.38 0.13 -1.89 -3.46 132.00 133.62 1i1s h PRO 42 Ca -0.41 0.04 -0.45 0.00 -0.87 0.00 0.00 66.00 64.30 1i1s h PRO 42 Cb 1.19 0.12 -0.42 0.00 0.13 0.00 0.00 31.00 32.02 1i1s h PRO 42 CO 0.93 -0.35 -0.92 -0.40 -0.23 0.00 0.00 178.00 177.03 1i1s n ASP 43 N -3.88 3.68 -0.03 1.44 5.75 -1.26 -4.54 116.55 117.71 1i1s n ASP 43 Ca -0.07 -3.18 -0.02 0.00 -0.01 0.00 0.00 54.79 51.51 1i1s n ASP 43 Cb 0.21 -0.41 -0.01 0.00 -1.03 0.00 0.00 41.12 39.88 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 -0.59 0.68 0.00 -2.12 4.32 -1.26 -5.04 117.00 112.99 1i1s n LEU 44 Ca 0.30 0.27 0.00 0.00 -0.02 0.00 0.00 56.01 56.57 1i1s n LEU 44 Cb 0.87 -0.62 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 1i1s n LEU 44 CO 0.29 -0.46 0.00 0.61 -1.22 0.00 0.00 177.39 176.61 1i1s n GLY 45 N 1.61 3.97 0.14 -0.72 0.00 -1.26 -4.77 105.19 104.15 1i1s n GLY 45 Ca -0.04 -1.07 -0.06 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.30 -0.30 1.61 7.08 -1.93 0.56 115.58 122.29 1i1s h ASN 46 Ca 0.00 0.10 -0.02 0.00 -3.08 0.00 0.00 56.30 53.30 1i1s h ASN 46 Cb 0.00 0.20 -0.01 0.00 -2.08 0.00 0.00 38.32 36.43 1i1s h ASN 46 CO 0.00 -0.11 0.12 0.00 -2.08 0.00 0.00 177.43 175.36 1i1s h ALA 47 N 1.31 0.40 -0.54 4.14 0.00 -2.01 -2.53 119.26 120.02 1i1s h ALA 47 Ca 0.15 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1i1s h ALA 47 Cb 0.23 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1i1s h ALA 47 CO -0.33 -0.00 0.13 -0.39 0.00 0.00 0.00 179.25 178.66 1i1s h VAL 48 N 0.34 1.23 -0.72 0.00 -1.51 -1.68 -2.88 116.25 111.03 1i1s h VAL 48 Ca 0.10 -0.82 -0.03 0.00 -1.23 0.00 0.00 66.70 64.72 1i1s h VAL 48 Cb 0.19 0.68 -0.03 0.00 -2.13 0.00 0.00 31.29 30.00 1i1s h VAL 48 CO -0.01 0.31 0.33 0.58 -1.23 0.00 0.00 177.57 177.55 1i1s h VAL 49 N 0.80 1.24 -0.51 7.19 2.07 0.41 0.57 116.25 128.01 1i1s h VAL 49 Ca 0.18 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 67.09 1i1s h VAL 49 Cb 0.30 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 1i1s h VAL 49 CO -0.00 0.29 0.13 -1.13 0.02 0.00 0.00 177.57 176.87 1i1s h ASN 50 N 1.01 0.06 -0.57 0.57 -0.73 -1.40 -2.37 115.58 112.14 1i1s h ASN 50 Ca 0.25 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.47 1i1s h ASN 50 Cb 0.14 0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.81 1i1s h ASN 50 CO -0.03 0.06 0.25 -1.28 -0.37 0.00 0.00 177.43 176.06 1i1s h SER 51 N 0.28 0.77 -0.41 1.15 0.87 -0.63 -2.80 113.55 112.77 1i1s h SER 51 Ca 0.26 -0.15 -0.12 0.00 -1.23 0.00 0.00 61.79 60.54 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 -0.21 0.78 -0.53 0.00 0.00 176.83 177.27 1i1s h ASN 52 N 0.78 0.93 -0.06 6.23 2.35 0.31 0.45 115.58 126.57 1i1s h ASN 52 Ca 0.19 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.59 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 1.11 -0.01 0.40 -1.65 0.00 0.00 177.43 177.26 1i1s h ILE 53 N 0.79 1.28 -0.80 2.81 2.04 -1.51 -2.51 117.51 119.61 1i1s h ILE 53 Ca 0.11 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.13 1i1s h ILE 53 Cb 0.77 1.74 -0.05 0.00 -0.74 0.00 0.00 36.82 38.54 1i1s h ILE 53 CO 0.06 0.24 0.51 1.23 0.00 0.00 0.00 178.15 180.19 1i1s h GLY 54 N -0.22 1.15 1.49 5.37 0.00 -1.21 -0.08 103.07 109.58 1i1s h GLY 54 Ca 0.02 -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 -0.45 4.60 3.04 -0.14 0.57 116.25 126.16 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 1.39 -0.06 0.00 -2.01 0.00 0.00 31.29 30.60 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 0.50 0.06 -0.68 3.16 4.07 -1.24 -2.65 115.31 118.52 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 0.35 0.40 -1.08 0.00 0.00 178.44 178.24 1i1s h ILE 57 N 0.25 1.22 0.00 1.22 1.08 0.12 0.66 117.51 122.06 1i1s h ILE 57 Ca 0.22 -0.58 -0.04 0.00 -0.39 0.00 0.00 64.86 64.07 1i1s h ILE 57 Cb 0.26 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.36 1i1s h ILE 57 CO -0.26 0.25 -0.19 0.07 -0.69 0.00 0.00 178.15 177.32 1i1s h LYS 58 N 0.94 0.00 -0.01 2.37 5.09 0.03 -1.72 116.57 123.27 1i1s h LYS 58 Ca 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.95 1i1s h LYS 58 Cb 0.07 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.40 1i1s h LYS 58 CO -0.03 0.19 -0.08 0.87 -2.09 0.00 0.00 179.45 178.30 1i1s h LYS 59 N 0.00 0.08 -4.02 0.07 1.57 -1.10 -3.49 116.57 109.68 1i1s h LYS 59 Ca -0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1i1s h LYS 59 Cb 0.70 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.96 1i1s h LYS 59 CO 0.02 0.74 -0.82 0.41 -0.57 0.00 0.00 179.45 179.24 1i1s n GLY 60 N 0.75 -4.14 3.16 3.86 0.00 0.26 -5.06 105.19 104.03 1i1s n GLY 60 Ca -0.09 0.73 0.03 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.36 -1.61 -0.00 0.99 2.34 0.20 -4.95 118.68 115.29 1i1s s LEU 61 Ca -0.15 -0.03 -0.12 0.00 0.06 0.00 0.00 54.13 53.89 1i1s s LEU 61 Cb 0.01 2.02 0.02 0.00 -0.56 0.00 0.00 46.19 47.68 1i1s s LEU 61 CO 0.41 -0.27 0.25 0.54 -1.06 0.00 0.00 176.35 176.22 1i1s s VAL 62 N 2.60 0.07 -0.22 1.48 0.11 -1.16 -4.62 120.40 118.67 1i1s s VAL 62 Ca 0.11 -0.57 -0.07 0.00 -2.93 0.00 0.00 61.98 58.53 1i1s s VAL 62 Cb -0.09 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 1i1s s VAL 62 CO -0.22 -0.31 0.05 -1.61 -3.33 0.00 0.00 175.10 169.68 1i1s s GLU 63 N -1.47 3.72 -0.24 1.54 2.02 0.14 -4.16 118.70 120.26 1i1s s GLU 63 Ca -0.13 -0.46 -0.28 0.00 0.02 0.00 0.00 54.97 54.12 1i1s s GLU 63 Cb -0.06 -3.23 0.01 0.00 0.10 0.00 0.00 34.13 30.95 1i1s s GLU 63 CO 0.03 -0.02 1.00 0.21 0.02 0.00 0.00 175.26 176.50 1i1s s LYS 64 N 1.14 4.24 -0.32 1.61 2.20 -1.26 -0.13 119.74 127.22 1i1s s LYS 64 Ca 0.04 1.26 -0.01 0.00 -0.36 0.00 0.00 55.97 56.91 1i1s s LYS 64 Cb -0.14 -3.65 0.07 0.00 -1.51 0.00 0.00 37.83 32.60 1i1s s LYS 64 CO 0.03 -0.62 0.04 0.45 -0.36 0.00 0.00 175.35 174.89 1i1s s SER 65 N 1.25 4.91 -0.70 1.43 0.15 0.07 -4.93 113.70 115.88 1i1s s SER 65 Ca 0.42 -1.55 -0.20 0.00 0.70 0.00 0.00 55.95 55.32 1i1s s SER 65 Cb -0.15 -1.71 0.10 0.00 -1.71 0.00 0.00 66.02 62.55 1i1s s SER 65 CO 0.07 -0.33 0.89 -0.83 1.20 0.00 0.00 173.24 174.24 1i1s s GLY 66 N 1.32 1.71 -0.24 9.45 0.00 -1.26 0.31 107.32 118.62 1i1s s GLY 66 Ca -0.01 -2.27 -0.03 0.00 0.00 0.00 0.00 44.72 42.42 1i1s s GLY 66 CO -0.03 1.82 -0.12 1.22 0.00 0.00 0.00 173.10 175.99 1i1s n ASP 67 N 6.74 2.00 -4.53 1.64 8.00 -1.26 -5.16 116.55 123.98 1i1s n ASP 67 Ca 0.01 0.01 -0.25 0.00 0.71 0.00 0.00 54.79 55.27 1i1s n ASP 67 Cb 0.45 -0.57 -0.10 0.00 -0.02 0.00 0.00 41.12 40.88 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 -6.14 1.75 0.02 0.44 0.00 0.15 -4.76 107.32 98.77 1i1s s GLY 68 Ca -0.33 -1.64 -0.15 0.00 0.00 0.00 0.00 44.72 42.60 1i1s s GLY 68 CO 0.61 -1.69 0.43 1.08 0.00 0.00 0.00 173.10 173.53 1i1s s LEU 69 N -3.12 4.47 -0.04 0.66 1.43 -1.25 -0.75 118.68 120.08 1i1s s LEU 69 Ca 0.26 0.98 -0.22 0.00 -1.03 0.00 0.00 54.13 54.13 1i1s s LEU 69 Cb -0.07 -2.67 0.04 0.00 0.03 0.00 0.00 46.19 43.53 1i1s s LEU 69 CO 0.15 0.30 0.48 0.27 0.23 0.00 0.00 176.35 177.78 1i1s s ILE 70 N -1.12 0.03 0.12 -0.59 -4.36 0.82 -3.51 121.20 112.59 1i1s s ILE 70 Ca 0.25 -0.25 -0.05 0.00 -0.26 0.00 0.00 60.65 60.35 1i1s s ILE 70 Cb -0.17 -0.78 -0.05 0.00 1.25 0.00 0.00 42.46 42.71 1i1s s ILE 70 CO 0.14 -0.14 0.35 0.27 0.24 0.00 0.00 174.94 175.81 1i1s s ILE 71 N -1.18 5.20 0.65 8.37 -4.36 -1.26 0.27 121.20 128.89 1i1s s ILE 71 Ca -0.12 0.02 -0.11 0.00 -0.26 0.00 0.00 60.65 60.18 1i1s s ILE 71 Cb -0.03 -3.62 -0.02 0.00 1.25 0.00 0.00 42.46 40.04 1i1s s ILE 71 CO 0.07 0.09 1.05 0.42 0.24 0.00 0.00 174.94 176.81 1i1s s THR 72 N -1.60 4.32 0.59 8.37 -4.23 -1.26 -4.74 115.64 117.10 1i1s s THR 72 Ca 0.39 0.75 0.29 0.00 -1.18 0.00 0.00 61.69 61.94 1i1s s THR 72 Cb -0.12 -3.72 0.38 0.00 1.34 0.00 0.00 72.50 70.37 1i1s s THR 72 CO 0.24 -0.99 1.91 1.23 -0.54 0.00 0.00 174.62 176.48 1i1s h GLY 73 N -0.45 0.00 0.66 3.99 0.00 -1.99 0.38 103.07 105.66 1i1s h GLY 73 Ca -0.44 0.00 0.04 0.00 0.00 0.00 0.00 47.33 46.93 1i1s h GLY 73 CO 0.62 0.00 0.10 0.83 0.00 0.00 0.00 176.54 178.09 1i1s h GLU 74 N 0.00 0.22 -0.36 4.80 3.07 -1.96 -1.77 114.58 118.59 1i1s h GLU 74 Ca 0.19 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 59.08 1i1s h GLU 74 Cb 1.09 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.92 1i1s h GLU 74 CO -0.00 0.15 0.15 0.00 -1.40 0.00 0.00 179.01 177.90 1i1s h ALA 75 N 1.23 0.43 -0.84 3.43 0.00 -0.58 -2.75 119.26 120.18 1i1s h ALA 75 Ca 0.16 0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.25 1i1s h ALA 75 Cb 0.15 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1i1s h ALA 75 CO -0.18 -0.23 0.55 1.96 0.00 0.00 0.00 179.25 181.34 1i1s h GLN 76 N 0.32 0.54 -0.27 0.00 7.50 -0.99 0.54 115.11 122.75 1i1s h GLN 76 Ca 0.16 -0.03 -0.05 0.00 0.50 0.00 0.00 58.65 59.22 1i1s h GLN 76 Cb 0.11 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.51 1i1s h GLN 76 CO -0.14 0.36 -0.04 0.22 -1.50 0.00 0.00 178.83 177.72 1i1s h ASP 77 N 0.55 0.51 -0.23 1.46 1.82 -1.23 -2.39 116.42 116.91 1i1s h ASP 77 Ca 0.42 -0.35 -0.01 0.00 -0.39 0.00 0.00 57.03 56.70 1i1s h ASP 77 Cb 0.81 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.67 1i1s h ASP 77 CO -0.17 0.74 0.09 0.40 -1.61 0.00 0.00 179.24 178.69 1i1s h ILE 78 N 0.27 1.16 -0.37 2.25 1.08 0.15 -2.69 117.51 119.36 1i1s h ILE 78 Ca 0.07 -0.50 -0.06 0.00 -0.39 0.00 0.00 64.86 63.98 1i1s h ILE 78 Cb 0.50 1.08 -0.01 0.00 -3.07 0.00 0.00 36.82 35.32 1i1s h ILE 78 CO 0.02 0.16 0.00 0.40 -0.69 0.00 0.00 178.15 178.05 1i1s h ILE 79 N 0.21 1.26 -0.34 -0.67 1.08 -0.43 0.28 117.51 118.90 1i1s h ILE 79 Ca 0.08 -0.99 0.02 0.00 -0.39 0.00 0.00 64.86 63.58 1i1s h ILE 79 Cb 0.17 1.17 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 1i1s h ILE 79 CO -0.01 0.33 0.18 0.28 -0.69 0.00 0.00 178.15 178.25 1i1s h SER 80 N 0.47 0.28 -0.17 1.72 0.02 -1.42 0.29 113.55 114.74 1i1s h SER 80 Ca 0.11 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 1i1s h SER 80 Cb 0.46 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 1i1s h SER 80 CO 0.02 0.21 -0.19 -1.13 -1.14 0.00 0.00 176.83 174.60 1i1s h ASN 81 N 0.38 0.46 -0.09 3.07 -1.24 -1.37 -2.73 115.58 114.06 1i1s h ASN 81 Ca 0.14 -0.49 -0.02 0.00 0.71 0.00 0.00 56.30 56.65 1i1s h ASN 81 Cb 0.03 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 38.95 1i1s h ASN 81 CO -0.08 0.86 -0.00 0.00 -1.29 0.00 0.00 177.43 176.91 1i1s h ALA 82 N 0.62 0.13 -0.93 1.57 0.00 -0.24 -0.56 119.26 119.85 1i1s h ALA 82 Ca 0.03 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.87 1i1s h ALA 82 Cb 0.74 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 1i1s h ALA 82 CO 0.05 -0.19 0.59 0.00 0.00 0.00 0.00 179.25 179.70 1i1s h ALA 83 N 0.73 1.67 -0.64 0.00 0.00 -0.55 0.46 119.26 120.94 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 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1i1s h ALA 83 CO 0.01 0.10 0.32 1.15 0.00 0.00 0.00 179.25 180.83 1i1s h THR 84 N 0.85 1.20 -0.47 0.00 2.02 -1.10 0.55 112.91 115.96 1i1s h THR 84 Ca 0.45 -0.56 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 1i1s h THR 84 Cb 0.55 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1i1s h THR 84 CO -0.22 0.24 0.16 -0.07 0.37 0.00 0.00 175.52 176.00 1i1s h LEU 85 N 0.89 0.66 -1.01 2.58 3.38 0.14 0.15 115.31 122.10 1i1s h LEU 85 Ca 0.22 -0.19 0.18 0.00 0.09 0.00 0.00 57.88 58.18 1i1s h LEU 85 Cb 0.08 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 40.55 1i1s h LEU 85 CO -0.03 0.68 0.62 0.22 0.09 0.00 0.00 178.44 180.01 1i1s h TYR 86 N 0.61 1.08 -0.39 1.13 5.03 -0.46 -2.70 116.97 121.27 1i1s h TYR 86 Ca 0.15 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.50 1i1s h TYR 86 Cb 0.24 -0.33 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 1i1s h TYR 86 CO 0.01 0.28 0.25 0.00 -1.32 0.00 0.00 178.16 177.38 1i1s h ALA 87 N 1.63 0.49 -0.60 1.82 0.00 0.20 0.44 119.26 123.24 1i1s h ALA 87 Ca 0.56 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.43 1i1s h ALA 87 Cb 0.83 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1i1s h ALA 87 CO -0.36 -0.06 0.31 -0.56 0.00 0.00 0.00 179.25 178.58 1i1s h GLN 88 N 0.52 0.85 0.00 0.00 3.07 -0.84 0.47 115.11 119.18 1i1s h GLN 88 Ca 0.14 -0.11 0.00 0.00 0.09 0.00 0.00 58.65 58.77 1i1s h GLN 88 Cb -0.05 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 27.35 1i1s h GLN 88 CO -0.04 0.67 -0.15 0.93 0.09 0.00 0.00 178.83 180.33 1i1s h GLU 89 N 0.81 0.00 0.05 0.06 5.08 -1.58 -3.43 114.58 115.58 1i1s h GLU 89 Ca 0.21 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1i1s h GLU 89 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1i1s h GLU 89 CO -0.03 0.00 -0.02 -0.97 -1.00 0.00 0.00 179.01 176.99 1i1s h ASN 90 N -0.57 -0.06 -4.42 1.42 -1.24 -0.25 -3.49 115.58 106.98 1i1s h ASN 90 Ca 0.00 -0.43 0.00 0.00 0.71 0.00 0.00 56.30 56.59 1i1s h ASN 90 Cb 0.15 0.01 -0.05 0.00 0.73 0.00 0.00 38.32 39.16 1i1s h ASN 90 CO 0.00 0.41 -0.94 0.00 -1.29 0.00 0.00 177.43 175.61 1i1s n ALA 91 N -2.37 -3.44 -1.80 1.57 0.00 0.15 -4.87 120.51 109.76 1i1s n ALA 91 Ca -0.08 1.13 -0.32 0.00 0.00 0.00 0.00 53.44 54.17 1i1s n ALA 91 Cb 0.25 -2.22 -0.00 0.00 0.00 0.00 0.00 19.45 17.48 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 -0.93 3.64 -0.46 0.00 0.04 -1.26 -3.97 135.00 132.07 1i1s s PRO 92 Ca -0.12 0.93 -0.12 0.00 0.04 0.00 0.00 61.00 61.73 1i1s s PRO 92 Cb 0.01 -2.09 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 1i1s s PRO 92 CO 0.55 -0.53 1.47 -1.91 0.04 0.00 0.00 177.00 176.62 1i1s n GLU 93 N -2.18 0.04 -0.06 4.56 2.13 -1.26 -4.67 120.64 119.21 1i1s n GLU 93 Ca 0.07 -0.74 -0.08 0.00 0.66 0.00 0.00 57.16 57.07 1i1s n GLU 93 Cb 0.54 -2.27 -0.06 0.00 0.27 0.00 0.00 31.44 29.91 1i1s n GLU 93 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1i1s n LEU 94 N 11.12 2.39 0.00 4.31 4.77 -1.25 -4.96 117.00 133.37 1i1s n LEU 94 Ca 0.18 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1i1s n LEU 94 Cb 0.48 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1i1s n LEU 94 CO 0.55 0.61 0.00 -0.11 -1.33 0.00 0.00 177.39 177.11 1i1s n LEU 95 N -2.75 0.00 0.00 2.23 -0.00 -1.26 -5.12 117.00 110.10 1i1s n LEU 95 Ca -0.20 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 55.84 1i1s n LEU 95 Cb 0.74 0.08 0.20 0.00 -0.00 0.00 0.00 43.42 44.44 1i1s n LEU 95 CO 0.14 -0.16 0.43 0.29 -0.00 0.00 0.00 177.39 178.09