#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 -5.86 0.06 3.17 2.88 -1.26 -4.79 113.62 107.81 1i1s n SER 2 Ca 0.00 -0.57 -0.13 0.00 -1.33 0.00 0.00 58.87 56.84 1i1s n SER 2 Cb 0.00 -4.39 -0.09 0.00 -0.75 0.00 0.00 64.21 58.98 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 -0.86 -0.17 -0.90 -1.46 3.64 -1.99 -3.45 116.57 111.40 1i1s h LYS 3 Ca -0.49 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.93 1i1s h LYS 3 Cb 1.25 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.06 1i1s h LYS 3 CO 0.36 0.23 0.59 -0.39 -2.27 0.00 0.00 179.45 177.96 1i1s h VAL 4 N -0.61 1.16 -0.91 2.00 -1.51 -1.90 0.23 116.25 114.70 1i1s h VAL 4 Ca -0.02 -0.39 0.04 0.00 -1.23 0.00 0.00 66.70 65.11 1i1s h VAL 4 Cb 0.47 -0.07 -0.05 0.00 -2.13 0.00 0.00 31.29 29.51 1i1s h VAL 4 CO 0.03 0.21 0.60 0.74 -1.23 0.00 0.00 177.57 177.91 1i1s h THR 5 N 1.13 1.13 -0.68 7.19 2.02 -1.86 0.16 112.91 122.00 1i1s h THR 5 Ca 0.35 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1i1s h THR 5 Cb 0.01 -0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.31 1i1s h THR 5 CO -0.11 0.20 0.31 1.88 0.37 0.00 0.00 175.52 178.17 1i1s h TYR 6 N 1.12 0.98 -0.41 3.16 0.05 -0.88 0.11 116.97 121.11 1i1s h TYR 6 Ca 0.37 -0.05 0.01 0.00 0.05 0.00 0.00 58.73 59.11 1i1s h TYR 6 Cb 0.06 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.47 1i1s h TYR 6 CO -0.00 0.73 0.25 0.82 -1.05 0.00 0.00 178.16 178.92 1i1s h ILE 7 N 0.97 1.07 -0.20 -2.88 1.08 -0.18 0.42 117.51 117.79 1i1s h ILE 7 Ca 0.23 -0.18 0.04 0.00 -0.39 0.00 0.00 64.86 64.57 1i1s h ILE 7 Cb 0.14 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 34.35 1i1s h ILE 7 CO -0.03 0.09 -0.05 0.40 -0.69 0.00 0.00 178.15 177.87 1i1s h ILE 8 N 0.52 0.79 -0.17 -0.67 2.04 -0.47 0.66 117.51 120.21 1i1s h ILE 8 Ca 0.16 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.06 1i1s h ILE 8 Cb -0.02 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 1i1s h ILE 8 CO -0.06 0.00 -0.11 0.50 0.00 0.00 0.00 178.15 178.48 1i1s h LYS 9 N -0.01 -0.11 -0.17 2.37 1.63 -0.31 0.15 116.57 120.12 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 0.00 179.45 175.60 1i1s h ALA 10 N 1.01 0.24 -0.55 5.00 0.00 0.04 -2.68 119.26 122.33 1i1s h ALA 10 Ca 0.10 -0.30 0.11 0.00 0.00 0.00 0.00 54.91 54.81 1i1s h ALA 10 Cb 0.26 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.91 1i1s h ALA 10 CO -0.24 0.10 0.01 1.03 0.00 0.00 0.00 179.25 180.15 1i1s h SER 11 N 0.04 -0.22 0.00 0.00 0.87 -0.85 -3.47 113.55 109.92 1i1s h SER 11 Ca 0.03 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1i1s h SER 11 Cb 0.63 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1i1s h SER 11 CO 0.03 -0.08 0.00 -3.20 -0.53 0.00 0.00 176.83 173.05 1i1s n ASN 12 N -5.24 0.00 -3.88 6.23 2.85 -0.35 -4.79 115.26 110.08 1i1s n ASN 12 Ca 0.07 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 41.33 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 -1.52 -0.05 1.20 -0.08 0.39 -4.89 116.55 111.60 1i1s n ASP 13 Ca 0.00 -0.91 -0.04 0.00 -1.51 0.00 0.00 54.79 52.33 1i1s n ASP 13 Cb 0.00 -3.52 -0.01 0.00 2.34 0.00 0.00 41.12 39.93 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 -4.39 0.93 -0.93 5.18 0.31 -1.26 -5.06 118.33 113.11 1i1s n VAL 14 Ca -0.22 0.30 -0.30 0.00 -0.01 0.00 0.00 64.34 64.11 1i1s n VAL 14 Cb 0.64 -2.05 0.18 0.00 -0.91 0.00 0.00 33.84 31.70 1i1s n VAL 14 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1i1s s LEU 15 N -6.86 1.96 0.00 7.52 2.01 -1.26 -5.06 118.68 116.98 1i1s s LEU 15 Ca -0.14 1.62 0.00 0.00 0.01 0.00 0.00 54.13 55.62 1i1s s LEU 15 Cb 0.02 -3.88 0.00 0.00 0.01 0.00 0.00 46.19 42.34 1i1s s LEU 15 CO 0.21 -3.17 0.00 0.59 1.01 0.00 0.00 176.35 174.98 1i1s n ASN 16 N -4.24 0.00 0.08 2.29 4.13 -1.26 -4.80 115.26 111.46 1i1s n ASN 16 Ca 0.07 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.20 1i1s n ASN 16 Cb 0.54 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.73 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 -0.48 -0.05 3.52 3.07 -1.98 -3.20 114.58 115.47 1i1s h GLU 17 Ca 0.00 0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1i1s h GLU 17 Cb 0.00 0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1i1s h GLU 17 CO 0.00 -0.32 0.01 0.87 -1.40 0.00 0.00 179.01 178.17 1i1s h LYS 18 N -0.50 0.07 -0.16 2.33 1.57 -1.96 0.99 116.57 118.92 1i1s h LYS 18 Ca 0.05 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1i1s h LYS 18 Cb 0.56 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1i1s h LYS 18 CO -0.24 0.25 -0.27 1.79 -0.57 0.00 0.00 179.45 180.42 1i1s h THR 19 N -0.12 1.25 -0.33 -0.16 1.35 -1.90 -1.65 112.91 111.35 1i1s h THR 19 Ca 0.02 -1.20 -0.01 0.00 -0.55 0.00 0.00 66.41 64.66 1i1s h THR 19 Cb 0.21 1.44 -0.02 0.00 -1.73 0.00 0.00 68.15 68.05 1i1s h THR 19 CO -0.00 0.37 0.18 0.00 -0.25 0.00 0.00 175.52 175.81 1i1s h ALA 20 N 1.46 0.43 -0.50 6.62 0.00 -1.16 0.23 119.26 126.34 1i1s h ALA 20 Ca 0.04 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1i1s h ALA 20 Cb 0.62 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1i1s h ALA 20 CO 0.04 -0.03 -0.13 0.00 0.00 0.00 0.00 179.25 179.13 1i1s h THR 21 N 0.41 1.27 0.09 0.00 1.03 -0.81 -1.86 112.91 113.04 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 0.08 1.03 0.00 0.00 -1.07 0.00 0.00 68.15 68.18 1i1s h THR 21 CO -0.02 0.44 -0.04 0.40 -0.01 0.00 0.00 175.52 176.29 1i1s h ILE 22 N 0.84 1.09 -0.98 0.00 1.08 -1.05 0.31 117.51 118.80 1i1s h ILE 22 Ca 0.13 -0.67 0.19 0.00 -0.39 0.00 0.00 64.86 64.12 1i1s h ILE 22 Cb 0.68 1.52 -0.09 0.00 -3.07 0.00 0.00 36.82 35.86 1i1s h ILE 22 CO 0.05 0.16 0.61 0.25 -0.69 0.00 0.00 178.15 178.54 1i1s h LEU 23 N -0.43 0.68 -0.28 1.44 5.85 -0.61 -1.34 115.31 120.62 1i1s h LEU 23 Ca -0.01 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1i1s h LEU 23 Cb 0.36 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1i1s h LEU 23 CO 0.02 0.26 0.02 0.40 -0.34 0.00 0.00 178.44 178.79 1i1s h ILE 24 N 0.67 1.25 -0.41 4.05 1.08 -0.66 0.46 117.51 123.96 1i1s h ILE 24 Ca 0.54 -0.88 0.02 0.00 -0.39 0.00 0.00 64.86 64.15 1i1s h ILE 24 Cb 0.96 1.28 -0.03 0.00 -3.07 0.00 0.00 36.82 35.97 1i1s h ILE 24 CO -0.31 0.28 0.24 0.74 -0.69 0.00 0.00 178.15 178.41 1i1s h THR 25 N 0.27 1.04 0.03 -0.27 2.02 0.62 0.11 112.91 116.74 1i1s h THR 25 Ca 0.08 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1i1s h THR 25 Cb 0.39 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1i1s h THR 25 CO 0.01 0.09 -0.02 0.40 0.37 0.00 0.00 175.52 176.37 1i1s h ILE 26 N 0.49 1.01 -0.54 3.11 2.04 -1.31 -3.09 117.51 119.22 1i1s h ILE 26 Ca 0.16 -0.14 0.10 0.00 1.00 0.00 0.00 64.86 65.98 1i1s h ILE 26 Cb 0.01 1.11 -0.08 0.00 -0.74 0.00 0.00 36.82 37.12 1i1s h ILE 26 CO -0.08 0.04 0.11 0.00 0.00 0.00 0.00 178.15 178.22 1i1s h ALA 27 N 0.86 0.62 0.47 1.87 0.00 0.12 -0.46 119.26 122.74 1i1s h ALA 27 Ca -0.00 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1i1s h ALA 27 Cb 0.09 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1i1s h ALA 27 CO 0.01 -0.31 -0.39 0.87 0.00 0.00 0.00 179.25 179.43 1i1s h LYS 28 N 0.24 -0.83 -5.50 0.00 6.56 -0.95 -3.43 116.57 112.67 1i1s h LYS 28 Ca 0.27 0.06 -0.62 0.00 -1.06 0.00 0.00 60.65 59.30 1i1s h LYS 28 Cb 0.38 0.19 -0.12 0.00 -0.57 0.00 0.00 32.23 32.11 1i1s h LYS 28 CO -0.36 -0.55 0.15 0.21 -2.06 0.00 0.00 179.45 176.84 1i1s s LYS 29 N -5.98 3.94 -0.42 3.15 2.20 -0.18 -5.00 119.74 117.45 1i1s s LYS 29 Ca -0.17 0.35 -0.23 0.00 -0.36 0.00 0.00 55.97 55.55 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 0.62 -0.54 0.79 -0.51 -0.36 0.00 0.00 175.35 175.35 1i1s s ASP 30 N 1.61 6.47 -1.04 1.43 1.11 -1.26 -2.53 116.67 122.46 1i1s s ASP 30 Ca 0.25 0.08 -0.08 0.00 0.18 0.00 0.00 52.55 52.98 1i1s s ASP 30 Cb -0.15 -2.39 -0.05 0.00 1.07 0.00 0.00 42.92 41.40 1i1s s ASP 30 CO 0.11 -0.84 0.88 0.49 1.18 0.00 0.00 175.17 176.98 1i1s n PHE 31 N 6.61 -2.40 0.00 4.23 3.01 -1.25 -5.05 117.46 122.61 1i1s n PHE 31 Ca 0.03 0.80 0.00 0.00 1.01 0.00 0.00 57.45 59.29 1i1s n PHE 31 Cb 0.48 -3.98 0.00 0.00 -0.01 0.00 0.00 39.48 35.97 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 -3.28 0.00 -4.19 4.37 3.06 -1.05 -4.90 119.36 113.37 1i1s n ILE 32 Ca -0.07 0.00 -0.17 0.00 -2.50 0.00 0.00 62.75 60.01 1i1s n ILE 32 Cb 0.60 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.72 1i1s n ILE 32 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1i1s s THR 33 N -0.30 0.00 0.37 9.51 -4.23 -1.26 -3.67 115.64 116.05 1i1s s THR 33 Ca 0.00 -1.81 0.12 0.00 -1.18 0.00 0.00 61.69 58.82 1i1s s THR 33 Cb 0.00 -2.56 0.35 0.00 1.34 0.00 0.00 72.50 71.63 1i1s s THR 33 CO 0.00 0.00 1.83 0.00 -0.54 0.00 0.00 174.62 175.91 1i1s h ALA 34 N 2.17 1.97 -0.08 3.99 0.00 -1.94 -1.27 119.26 124.09 1i1s h ALA 34 Ca -0.27 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1i1s h ALA 34 Cb 1.24 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1i1s h ALA 34 CO 0.39 -0.28 -0.02 0.00 0.00 0.00 0.00 179.25 179.33 1i1s h ALA 35 N 1.62 0.05 -0.68 0.00 0.00 -1.96 0.30 119.26 118.59 1i1s h ALA 35 Ca 0.51 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.44 1i1s h ALA 35 Cb 1.02 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1i1s h ALA 35 CO -0.25 -0.49 0.36 1.49 0.00 0.00 0.00 179.25 180.36 1i1s h GLU 36 N -0.00 0.95 -0.95 0.00 4.81 -1.79 0.35 114.58 117.96 1i1s h GLU 36 Ca 0.04 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1i1s h GLU 36 Cb 0.07 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.21 1i1s h GLU 36 CO -0.09 0.72 0.63 0.28 -0.73 0.00 0.00 179.01 179.82 1i1s h VAL 37 N 0.93 1.23 -0.61 0.32 2.07 -1.01 0.51 116.25 119.71 1i1s h VAL 37 Ca 0.24 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.39 1i1s h VAL 37 Cb 0.06 -0.15 -0.06 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 0.00 177.57 178.10 1i1s h ARG 38 N 1.27 0.51 -0.26 1.57 3.08 -0.46 -3.30 114.38 116.78 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 -0.13 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.81 1i1s h ARG 38 CO -0.08 0.34 -0.48 0.93 -1.07 0.00 0.00 179.97 179.61 1i1s h GLU 39 N 0.52 0.79 0.25 0.04 4.39 0.39 -3.14 114.58 117.83 1i1s h GLU 39 Ca 0.29 -0.50 0.01 0.00 0.34 0.00 0.00 59.36 59.50 1i1s h GLU 39 Cb 0.26 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 1i1s h GLU 39 CO -0.23 1.13 -0.33 -0.24 -1.16 0.00 0.00 179.01 178.18 1i1s h VAL 40 N 0.54 0.31 -2.17 3.13 3.04 -0.41 -3.45 116.25 117.24 1i1s h VAL 40 Ca 0.01 0.00 -0.59 0.00 -1.01 0.00 0.00 66.70 65.12 1i1s h VAL 40 Cb 1.08 0.31 0.03 0.00 -2.01 0.00 0.00 31.29 30.70 1i1s h VAL 40 CO 0.11 0.00 1.06 0.00 -1.01 0.00 0.00 177.57 177.72 1i1s n HIS 41 N -5.43 2.37 0.36 3.17 1.44 -1.19 -4.88 115.22 111.06 1i1s n HIS 41 Ca -0.08 -0.01 -0.14 0.00 -2.01 0.00 0.00 57.72 55.47 1i1s n HIS 41 Cb 0.34 -2.66 -0.07 0.00 0.12 0.00 0.00 29.99 27.72 1i1s n HIS 41 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 1i1s h PRO 42 N 8.63 -0.89 -1.02 -1.40 0.11 -1.92 -3.44 132.00 132.06 1i1s h PRO 42 Ca -0.48 0.06 -0.40 0.00 0.11 0.00 0.00 66.00 65.30 1i1s h PRO 42 Cb 1.26 0.20 -0.41 0.00 0.11 0.00 0.00 31.00 32.17 1i1s h PRO 42 CO 0.94 -0.59 -1.08 -0.40 -0.21 0.00 0.00 178.00 176.65 1i1s n ASP 43 N -4.67 2.28 -0.03 -2.05 5.75 -1.26 -4.64 116.55 111.93 1i1s n ASP 43 Ca -0.11 -2.87 -0.03 0.00 -0.01 0.00 0.00 54.79 51.77 1i1s n ASP 43 Cb 0.37 -0.50 -0.01 0.00 -1.03 0.00 0.00 41.12 39.95 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 -0.25 0.71 0.00 -2.12 4.32 -1.26 -5.04 117.00 113.35 1i1s n LEU 44 Ca 0.16 0.22 0.00 0.00 -0.02 0.00 0.00 56.01 56.37 1i1s n LEU 44 Cb 0.79 -0.61 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 1i1s n LEU 44 CO 0.26 -0.44 0.00 0.61 -1.22 0.00 0.00 177.39 176.60 1i1s n GLY 45 N 1.56 3.68 0.17 -0.72 0.00 -1.26 -4.75 105.19 103.87 1i1s n GLY 45 Ca -0.04 -1.13 -0.04 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.21 -0.31 1.61 -1.07 -1.95 0.60 115.58 114.24 1i1s h ASN 46 Ca 0.00 0.10 -0.02 0.00 0.07 0.00 0.00 56.30 56.46 1i1s h ASN 46 Cb 0.00 0.19 -0.01 0.00 -2.07 0.00 0.00 38.32 36.42 1i1s h ASN 46 CO 0.00 -0.07 0.13 0.00 0.07 0.00 0.00 177.43 177.57 1i1s h ALA 47 N 1.37 0.41 -0.55 4.14 0.00 -2.01 -2.47 119.26 120.15 1i1s h ALA 47 Ca 0.20 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1i1s h ALA 47 Cb 0.30 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1i1s h ALA 47 CO -0.36 -0.00 0.15 -0.39 0.00 0.00 0.00 179.25 178.65 1i1s h VAL 48 N 0.36 1.22 -0.66 0.00 -1.51 -1.54 -2.95 116.25 111.17 1i1s h VAL 48 Ca 0.11 -0.78 -0.03 0.00 -1.23 0.00 0.00 66.70 64.77 1i1s h VAL 48 Cb 0.16 0.64 -0.03 0.00 -2.13 0.00 0.00 31.29 29.93 1i1s h VAL 48 CO -0.01 0.29 0.30 0.58 -1.23 0.00 0.00 177.57 177.50 1i1s h VAL 49 N 0.80 1.23 -0.51 7.19 2.07 0.51 0.58 116.25 128.12 1i1s h VAL 49 Ca 0.18 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 67.10 1i1s h VAL 49 Cb 0.26 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.42 1i1s h VAL 49 CO -0.01 0.28 0.13 -1.13 0.02 0.00 0.00 177.57 176.86 1i1s h ASN 50 N 0.93 0.06 -0.55 0.57 -0.73 -1.41 -2.22 115.58 112.23 1i1s h ASN 50 Ca 0.23 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.45 1i1s h ASN 50 Cb 0.16 0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.83 1i1s h ASN 50 CO -0.02 0.06 0.23 -1.28 -0.37 0.00 0.00 177.43 176.05 1i1s h SER 51 N 0.28 0.75 -0.40 1.15 0.87 -0.67 -2.76 113.55 112.77 1i1s h SER 51 Ca 0.26 -0.16 -0.13 0.00 -1.23 0.00 0.00 61.79 60.53 1i1s h SER 51 Cb 0.33 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1i1s h SER 51 CO -0.31 0.70 -0.24 0.78 -0.53 0.00 0.00 176.83 177.23 1i1s h ASN 52 N 0.75 0.93 -0.05 6.23 2.35 0.35 0.43 115.58 126.57 1i1s h ASN 52 Ca 0.18 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 1i1s h ASN 52 Cb 0.18 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1i1s h ASN 52 CO -0.02 1.12 -0.02 0.40 -1.65 0.00 0.00 177.43 177.27 1i1s h ILE 53 N 0.78 1.32 -0.81 2.81 2.04 -1.48 -2.68 117.51 119.48 1i1s h ILE 53 Ca 0.10 -0.98 0.03 0.00 1.00 0.00 0.00 64.86 65.00 1i1s h ILE 53 Cb 0.80 1.88 -0.05 0.00 -0.74 0.00 0.00 36.82 38.71 1i1s h ILE 53 CO 0.07 0.27 0.53 1.23 0.00 0.00 0.00 178.15 180.24 1i1s h GLY 54 N -0.28 1.17 1.47 5.37 0.00 -1.26 -0.31 103.07 109.23 1i1s h GLY 54 Ca 0.01 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 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 1.04 1.28 -0.43 4.60 3.04 -0.18 0.60 116.25 126.18 1i1s h VAL 55 Ca 0.32 -1.38 0.07 0.00 -1.01 0.00 0.00 66.70 64.70 1i1s h VAL 55 Cb -0.03 1.35 -0.06 0.00 -2.01 0.00 0.00 31.29 30.55 1i1s h VAL 55 CO -0.10 0.44 0.10 -0.07 -1.01 0.00 0.00 177.57 176.93 1i1s h LEU 56 N 0.53 0.03 -0.65 3.16 4.07 -1.28 -2.82 115.31 118.35 1i1s h LEU 56 Ca 0.07 0.07 -0.03 0.00 0.08 0.00 0.00 57.88 58.07 1i1s h LEU 56 Cb 0.76 0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.56 1i1s h LEU 56 CO 0.06 0.05 0.31 0.40 -1.08 0.00 0.00 178.44 178.18 1i1s h ILE 57 N 0.24 1.23 0.00 1.22 1.08 0.10 0.71 117.51 122.08 1i1s h ILE 57 Ca 0.21 -0.65 -0.04 0.00 -0.39 0.00 0.00 64.86 63.99 1i1s h ILE 57 Cb 0.25 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 1i1s h ILE 57 CO -0.27 0.26 -0.20 0.07 -0.69 0.00 0.00 178.15 177.33 1i1s h LYS 58 N 0.91 0.00 0.02 2.37 5.09 0.07 -1.33 116.57 123.70 1i1s h LYS 58 Ca 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.96 1i1s h LYS 58 Cb 0.13 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.46 1i1s h LYS 58 CO -0.03 0.20 -0.01 0.87 -2.09 0.00 0.00 179.45 178.39 1i1s h LYS 59 N 0.00 -0.02 -3.75 0.07 1.57 -1.21 -3.50 116.57 109.73 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 0.71 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.97 1i1s h LYS 59 CO 0.03 0.63 -0.60 0.41 -0.57 0.00 0.00 179.45 179.35 1i1s n GLY 60 N 0.77 -3.81 3.12 3.86 0.00 0.61 -5.05 105.19 104.68 1i1s n GLY 60 Ca -0.09 0.43 0.01 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.27 -1.46 -0.00 0.99 2.34 0.22 -4.94 118.68 115.55 1i1s s LEU 61 Ca -0.10 -0.12 -0.12 0.00 0.06 0.00 0.00 54.13 53.85 1i1s s LEU 61 Cb 0.01 1.86 0.01 0.00 -0.56 0.00 0.00 46.19 47.51 1i1s s LEU 61 CO 0.30 -0.28 0.25 0.54 -1.06 0.00 0.00 176.35 176.10 1i1s s VAL 62 N 2.57 0.07 -0.24 1.48 0.11 -1.18 -4.62 120.40 118.60 1i1s s VAL 62 Ca 0.11 -0.58 -0.08 0.00 -2.93 0.00 0.00 61.98 58.51 1i1s s VAL 62 Cb -0.09 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.13 1i1s s VAL 62 CO -0.23 -0.32 0.09 -1.61 -3.33 0.00 0.00 175.10 169.71 1i1s s GLU 63 N -1.48 3.76 -0.34 1.54 2.02 0.14 -4.22 118.70 120.12 1i1s s GLU 63 Ca -0.13 -0.43 -0.28 0.00 0.02 0.00 0.00 54.97 54.15 1i1s s GLU 63 Cb -0.06 -3.36 0.02 0.00 0.10 0.00 0.00 34.13 30.83 1i1s s GLU 63 CO 0.03 -0.10 1.05 0.21 0.02 0.00 0.00 175.26 176.46 1i1s s LYS 64 N 1.41 3.99 -0.33 1.61 2.36 -1.26 -0.23 119.74 127.29 1i1s s LYS 64 Ca 0.06 0.92 -0.01 0.00 -2.55 0.00 0.00 55.97 54.38 1i1s s LYS 64 Cb -0.15 -3.77 0.07 0.00 -1.05 0.00 0.00 37.83 32.94 1i1s s LYS 64 CO 0.04 -0.95 0.04 0.45 1.55 0.00 0.00 175.35 176.49 1i1s s SER 65 N 1.78 4.93 -0.67 1.43 0.15 0.14 -4.95 113.70 116.51 1i1s s SER 65 Ca 0.44 -1.54 -0.20 0.00 0.70 0.00 0.00 55.95 55.35 1i1s s SER 65 Cb -0.12 -1.72 0.10 0.00 -1.71 0.00 0.00 66.02 62.57 1i1s s SER 65 CO 0.18 -0.33 0.87 -0.83 1.20 0.00 0.00 173.24 174.32 1i1s s GLY 66 N 1.34 1.66 -0.22 9.45 0.00 -1.26 0.27 107.32 118.56 1i1s s GLY 66 Ca -0.01 -2.19 -0.03 0.00 0.00 0.00 0.00 44.72 42.49 1i1s s GLY 66 CO -0.03 1.82 -0.06 2.09 0.00 0.00 0.00 173.10 176.92 1i1s n ASP 67 N 6.83 2.01 -4.72 1.64 5.68 -1.26 -5.16 116.55 121.58 1i1s n ASP 67 Ca -0.02 0.04 -0.23 0.00 -0.50 0.00 0.00 54.79 54.08 1i1s n ASP 67 Cb 0.45 -0.61 -0.07 0.00 -1.14 0.00 0.00 41.12 39.75 1i1s n ASP 67 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1i1s s GLY 68 N -6.06 1.98 -0.07 6.12 0.00 0.14 -4.76 107.32 104.68 1i1s s GLY 68 Ca -0.32 -1.86 -0.12 0.00 0.00 0.00 0.00 44.72 42.42 1i1s s GLY 68 CO 0.63 -1.79 0.31 1.08 0.00 0.00 0.00 173.10 173.34 1i1s s LEU 69 N -3.83 4.40 -0.04 0.66 1.43 -1.24 0.24 118.68 120.31 1i1s s LEU 69 Ca 0.37 0.74 -0.22 0.00 -1.03 0.00 0.00 54.13 53.99 1i1s s LEU 69 Cb -0.02 -2.40 0.04 0.00 0.03 0.00 0.00 46.19 43.84 1i1s s LEU 69 CO 0.22 0.30 0.48 0.27 0.23 0.00 0.00 176.35 177.85 1i1s s ILE 70 N -0.74 0.03 0.37 -0.59 -4.36 0.68 -3.74 121.20 112.85 1i1s s ILE 70 Ca 0.20 -0.25 -0.01 0.00 -0.26 0.00 0.00 60.65 60.33 1i1s s ILE 70 Cb -0.15 -0.78 -0.03 0.00 1.25 0.00 0.00 42.46 42.75 1i1s s ILE 70 CO 0.09 -0.14 0.59 0.27 0.24 0.00 0.00 174.94 176.00 1i1s s ILE 71 N -1.18 5.06 0.99 8.37 -4.36 -1.26 0.24 121.20 129.06 1i1s s ILE 71 Ca -0.12 -0.31 -0.16 0.00 -0.26 0.00 0.00 60.65 59.80 1i1s s ILE 71 Cb -0.03 -3.86 0.20 0.00 1.25 0.00 0.00 42.46 40.02 1i1s s ILE 71 CO 0.06 -0.60 1.25 0.42 0.24 0.00 0.00 174.94 176.31 1i1s s THR 72 N -2.39 1.93 0.33 8.37 -4.23 -1.26 -4.69 115.64 113.69 1i1s s THR 72 Ca 0.42 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 61.00 1i1s s THR 72 Cb -0.10 -2.89 0.31 0.00 1.34 0.00 0.00 72.50 71.17 1i1s s THR 72 CO 0.37 0.00 1.83 1.23 -0.54 0.00 0.00 174.62 177.51 1i1s h GLY 73 N -1.74 1.45 0.69 3.99 0.00 -1.98 -2.12 103.07 103.36 1i1s h GLY 73 Ca -0.45 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 46.57 1i1s h GLY 73 CO 0.42 0.05 -0.02 0.83 0.00 0.00 0.00 176.54 177.82 1i1s h GLU 74 N 0.75 0.03 -0.40 4.80 3.07 -1.97 0.21 114.58 121.07 1i1s h GLU 74 Ca 0.50 -0.00 0.04 0.00 -0.50 0.00 0.00 59.36 59.40 1i1s h GLU 74 Cb 0.78 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.65 1i1s h GLU 74 CO -0.27 0.02 0.18 0.00 -1.40 0.00 0.00 179.01 177.54 1i1s h ALA 75 N 1.16 0.50 -0.81 3.43 0.00 -1.87 -2.74 119.26 118.92 1i1s h ALA 75 Ca 0.08 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.16 1i1s h ALA 75 Cb 0.12 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1i1s h ALA 75 CO -0.16 -0.19 0.53 1.96 0.00 0.00 0.00 179.25 181.40 1i1s h GLN 76 N 0.38 0.54 -0.28 0.00 4.20 -0.31 0.60 115.11 120.24 1i1s h GLN 76 Ca 0.18 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 1i1s h GLN 76 Cb 0.11 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1i1s h GLN 76 CO -0.14 0.36 -0.05 0.22 -0.67 0.00 0.00 178.83 178.55 1i1s h ASP 77 N 0.56 0.52 -0.24 1.46 3.58 -1.02 -2.52 116.42 118.76 1i1s h ASP 77 Ca 0.40 -0.35 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 1i1s h ASP 77 Cb 0.75 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 1i1s h ASP 77 CO -0.16 0.75 0.11 0.40 -2.88 0.00 0.00 179.24 177.46 1i1s h ILE 78 N 0.28 1.15 -0.28 2.25 1.08 0.26 -1.85 117.51 120.41 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 1.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 1i1s h ILE 78 CO 0.02 0.15 0.07 0.40 -0.69 0.00 0.00 178.15 178.11 1i1s h ILE 79 N 0.25 1.21 -0.33 -0.67 1.08 -0.38 0.40 117.51 119.07 1i1s h ILE 79 Ca 0.08 -0.69 0.02 0.00 -0.39 0.00 0.00 64.86 63.87 1i1s h ILE 79 Cb 0.15 1.14 -0.02 0.00 -3.07 0.00 0.00 36.82 35.01 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 0.28 0.28 -0.26 1.72 0.02 -1.40 0.21 113.55 114.39 1i1s h SER 80 Ca 0.09 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1i1s h SER 80 Cb 0.28 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1i1s h SER 80 CO 0.00 0.21 -0.06 -1.13 -1.14 0.00 0.00 176.83 174.71 1i1s h ASN 81 N 0.37 0.50 -0.18 3.07 -0.73 -1.21 -2.86 115.58 114.54 1i1s h ASN 81 Ca 0.13 -0.36 -0.03 0.00 1.87 0.00 0.00 56.30 57.91 1i1s h ASN 81 Cb 0.02 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.47 1i1s h ASN 81 CO -0.07 0.75 0.00 0.00 -0.37 0.00 0.00 177.43 177.73 1i1s h ALA 82 N 0.77 0.24 -0.94 1.57 0.00 0.02 -1.14 119.26 119.79 1i1s h ALA 82 Ca 0.07 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.90 1i1s h ALA 82 Cb 0.52 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 1i1s h ALA 82 CO 0.02 -0.05 0.60 0.00 0.00 0.00 0.00 179.25 179.83 1i1s h ALA 83 N 0.78 1.64 -0.88 0.00 0.00 -0.67 0.31 119.26 120.44 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 0.38 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1i1s h ALA 83 CO 0.01 0.13 0.47 1.15 0.00 0.00 0.00 179.25 181.02 1i1s h THR 84 N 0.88 1.26 -0.82 0.00 2.02 -1.21 0.50 112.91 115.54 1i1s h THR 84 Ca 0.46 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1i1s h THR 84 Cb 0.52 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 1i1s h THR 84 CO -0.22 0.29 0.43 -0.07 0.37 0.00 0.00 175.52 176.32 1i1s h LEU 85 N 1.24 1.04 -1.02 2.58 3.38 0.60 0.40 115.31 123.52 1i1s h LEU 85 Ca 0.31 -0.11 0.18 0.00 0.09 0.00 0.00 57.88 58.35 1i1s h LEU 85 Cb 0.04 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 40.42 1i1s h LEU 85 CO -0.05 0.85 0.62 0.22 0.09 0.00 0.00 178.44 180.17 1i1s h TYR 86 N 1.14 1.08 -0.42 1.13 5.03 -0.15 -2.82 116.97 121.95 1i1s h TYR 86 Ca 0.29 0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.66 1i1s h TYR 86 Cb 0.06 -0.33 -0.04 0.00 1.55 0.00 0.00 36.73 37.98 1i1s h TYR 86 CO 0.01 0.27 0.21 0.00 -1.32 0.00 0.00 178.16 177.33 1i1s h ALA 87 N 1.63 0.53 -0.72 1.82 0.00 0.44 0.61 119.26 123.56 1i1s h ALA 87 Ca 0.56 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.52 1i1s h ALA 87 Cb 0.83 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1i1s h ALA 87 CO -0.36 -0.14 0.45 -0.56 0.00 0.00 0.00 179.25 178.65 1i1s h GLN 88 N 0.43 0.86 0.14 0.00 3.07 -1.09 0.54 115.11 119.07 1i1s h GLN 88 Ca 0.18 -0.05 -0.01 0.00 0.09 0.00 0.00 58.65 58.86 1i1s h GLN 88 Cb 0.08 -0.19 0.00 0.00 0.08 0.00 0.00 27.48 27.45 1i1s h GLN 88 CO -0.12 0.57 -0.07 0.93 0.09 0.00 0.00 178.83 180.23 1i1s h GLU 89 N 0.89 -0.18 0.00 0.06 5.08 -1.65 -3.44 114.58 115.34 1i1s h GLU 89 Ca 0.29 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1i1s h GLU 89 Cb 0.01 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1i1s h GLU 89 CO -0.11 -0.12 0.00 0.09 -1.00 0.00 0.00 179.01 177.88 1i1s n ASN 90 N -2.93 0.00 -2.60 1.42 3.02 0.21 -1.98 115.26 112.40 1i1s n ASN 90 Ca -0.02 0.08 -0.05 0.00 -0.03 0.00 0.00 54.58 54.56 1i1s n ASN 90 Cb 0.07 -0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1i1s n ASN 90 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i1s n ALA 91 N -0.63 -0.94 -0.44 5.41 0.00 0.08 -1.86 120.51 122.13 1i1s n ALA 91 Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.10 1i1s n ALA 91 Cb 0.00 -0.17 0.27 0.00 0.00 0.00 0.00 19.45 19.55 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 -3.28 -1.86 -0.50 0.00 0.04 -1.26 -3.21 135.00 124.93 1i1s s PRO 92 Ca 0.03 0.57 -0.28 0.00 0.04 0.00 0.00 61.00 61.36 1i1s s PRO 92 Cb -0.02 -1.47 -0.09 0.00 0.04 0.00 0.00 34.50 32.97 1i1s s PRO 92 CO 0.15 -4.28 2.40 -1.91 0.04 0.00 0.00 177.00 173.40 1i1s n GLU 93 N -5.27 1.06 -0.12 4.56 0.00 -1.26 -5.01 120.64 114.59 1i1s n GLU 93 Ca 0.06 0.11 -0.24 0.00 0.00 0.00 0.00 57.16 57.09 1i1s n GLU 93 Cb 0.56 -3.07 -0.09 0.00 0.00 0.00 0.00 31.44 28.84 1i1s n GLU 93 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1i1s n LEU 94 N 14.02 1.93 0.11 4.31 0.00 -0.78 -5.00 117.00 131.59 1i1s n LEU 94 Ca 0.40 0.37 0.00 0.00 0.00 0.00 0.00 56.01 56.78 1i1s n LEU 94 Cb 0.44 -0.84 0.00 0.00 0.00 0.00 0.00 43.42 43.01 1i1s n LEU 94 CO 0.74 0.33 0.00 -0.11 0.00 0.00 0.00 177.39 178.35 1i1s n LEU 95 N -4.34 -0.98 0.00 -1.96 -0.00 -1.25 -5.07 117.00 103.40 1i1s n LEU 95 Ca -0.41 0.41 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 1i1s n LEU 95 Cb 0.76 1.07 0.00 0.00 -0.00 0.00 0.00 43.42 45.25 1i1s n LEU 95 CO 0.09 -0.45 0.19 2.29 -0.00 0.00 0.00 177.39 179.51