#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 -3.59 0.26 7.83 2.88 -1.26 -4.55 113.62 115.19 1i1s n SER 2 Ca 0.00 0.69 0.11 0.00 -1.33 0.00 0.00 58.87 58.34 1i1s n SER 2 Cb 0.00 -2.21 0.70 0.00 -0.75 0.00 0.00 64.21 61.95 1i1s n SER 2 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1i1s h LYS 3 N -0.57 0.00 -0.92 -1.46 2.10 -1.98 -2.99 116.57 110.75 1i1s h LYS 3 Ca -0.08 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.61 1i1s h LYS 3 Cb 0.61 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.89 1i1s h LYS 3 CO 0.03 0.12 0.60 -0.39 -2.00 0.00 0.00 179.45 177.81 1i1s h VAL 4 N 0.00 1.15 -0.92 0.07 -1.51 -1.91 0.54 116.25 113.67 1i1s h VAL 4 Ca -0.00 -0.39 0.04 0.00 -1.23 0.00 0.00 66.70 65.12 1i1s h VAL 4 Cb 0.29 -0.09 -0.05 0.00 -2.13 0.00 0.00 31.29 29.31 1i1s h VAL 4 CO 0.02 0.21 0.60 0.74 -1.23 0.00 0.00 177.57 177.90 1i1s h THR 5 N 1.14 1.14 -0.48 7.19 2.02 -1.76 0.19 112.91 122.36 1i1s h THR 5 Ca 0.37 -0.39 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 1i1s h THR 5 Cb 0.03 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.33 1i1s h THR 5 CO -0.11 0.21 -0.06 1.88 0.37 0.00 0.00 175.52 177.81 1i1s h TYR 6 N 1.13 0.90 -0.47 3.16 0.05 -0.46 -1.05 116.97 120.23 1i1s h TYR 6 Ca 0.37 -0.15 0.05 0.00 0.05 0.00 0.00 58.73 59.04 1i1s h TYR 6 Cb 0.04 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.50 1i1s h TYR 6 CO -0.00 0.85 0.22 0.82 -1.05 0.00 0.00 178.16 179.00 1i1s h ILE 7 N 0.76 0.93 -0.67 -2.88 1.08 0.16 0.64 117.51 117.52 1i1s h ILE 7 Ca 0.14 -0.15 0.07 0.00 -0.39 0.00 0.00 64.86 64.53 1i1s h ILE 7 Cb 0.54 0.46 -0.06 0.00 -3.07 0.00 0.00 36.82 34.69 1i1s h ILE 7 CO 0.03 0.08 0.35 0.40 -0.69 0.00 0.00 178.15 178.32 1i1s h ILE 8 N 0.43 0.91 0.11 -0.67 2.04 -0.56 0.78 117.51 120.55 1i1s h ILE 8 Ca 0.21 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1i1s h ILE 8 Cb 0.15 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1i1s h ILE 8 CO -0.17 0.11 -0.07 0.50 0.00 0.00 0.00 178.15 178.52 1i1s h LYS 9 N 0.63 -0.18 -0.16 2.37 1.63 -0.24 0.63 116.57 121.25 1i1s h LYS 9 Ca 0.31 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 60.07 1i1s h LYS 9 Cb 0.26 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1i1s h LYS 9 CO -0.22 -0.12 -0.13 0.00 -3.45 0.00 0.00 179.45 175.54 1i1s h ALA 10 N 0.70 0.23 -0.62 5.00 0.00 0.71 -2.58 119.26 122.70 1i1s h ALA 10 Ca -0.01 -0.31 0.12 0.00 0.00 0.00 0.00 54.91 54.71 1i1s h ALA 10 Cb 0.16 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 1i1s h ALA 10 CO 0.00 0.09 0.15 1.03 0.00 0.00 0.00 179.25 180.52 1i1s h SER 11 N 0.02 0.03 0.00 0.00 0.87 -0.96 -3.47 113.55 110.04 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 0.64 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1i1s h SER 11 CO 0.03 0.02 0.00 -3.20 -0.53 0.00 0.00 176.83 173.15 1i1s n ASN 12 N -5.12 0.00 -4.11 6.23 2.85 -0.97 -4.77 115.26 109.37 1i1s n ASN 12 Ca 0.10 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.27 1i1s n ASN 12 Cb 0.33 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.31 1i1s n ASN 12 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1i1s n ASP 13 N 0.00 -0.51 -0.06 1.20 5.75 0.18 -4.87 116.55 118.24 1i1s n ASP 13 Ca 0.00 -1.09 -0.05 0.00 -0.01 0.00 0.00 54.79 53.64 1i1s n ASP 13 Cb 0.00 -2.58 -0.02 0.00 -1.03 0.00 0.00 41.12 37.49 1i1s n ASP 13 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1i1s n VAL 14 N -4.44 1.19 -0.85 2.12 0.31 -1.26 -5.05 118.33 110.35 1i1s n VAL 14 Ca -0.24 0.24 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1i1s n VAL 14 Cb 0.65 -2.22 0.20 0.00 -0.91 0.00 0.00 33.84 31.56 1i1s n VAL 14 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1i1s s LEU 15 N -7.50 1.54 0.00 7.52 2.01 -1.26 -5.07 118.68 115.92 1i1s s LEU 15 Ca -0.17 1.51 0.00 0.00 0.01 0.00 0.00 54.13 55.48 1i1s s LEU 15 Cb 0.02 -3.64 0.00 0.00 0.01 0.00 0.00 46.19 42.58 1i1s s LEU 15 CO 0.25 -3.50 0.00 0.59 1.01 0.00 0.00 176.35 174.70 1i1s n ASN 16 N -4.45 0.00 -0.07 2.29 4.13 -1.26 -4.84 115.26 111.06 1i1s n ASN 16 Ca 0.05 -0.21 -0.07 0.00 1.68 0.00 0.00 54.58 56.03 1i1s n ASN 16 Cb 0.55 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.78 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 -0.16 -0.06 3.52 5.08 -1.98 -2.82 114.58 118.16 1i1s h GLU 17 Ca 0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1i1s h GLU 17 Cb 0.00 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1i1s h GLU 17 CO 0.00 -0.11 0.02 0.87 -1.00 0.00 0.00 179.01 178.79 1i1s h LYS 18 N -0.17 0.09 -0.08 2.33 1.57 -1.94 0.11 116.57 118.48 1i1s h LYS 18 Ca 0.15 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 1i1s h LYS 18 Cb 0.40 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1i1s h LYS 18 CO -0.39 0.27 -0.49 1.79 -0.57 0.00 0.00 179.45 180.06 1i1s h THR 19 N -0.10 1.34 -0.32 -0.16 1.35 -1.91 -1.79 112.91 111.31 1i1s h THR 19 Ca 0.02 -1.71 -0.01 0.00 -0.55 0.00 0.00 66.41 64.16 1i1s h THR 19 Cb 0.22 1.83 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 1i1s h THR 19 CO -0.00 0.51 0.17 0.00 -0.25 0.00 0.00 175.52 175.95 1i1s h ALA 20 N 1.32 0.42 -0.44 6.62 0.00 -1.10 0.19 119.26 126.27 1i1s h ALA 20 Ca 0.01 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1i1s h ALA 20 Cb 0.93 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1i1s h ALA 20 CO 0.07 -0.05 -0.16 0.00 0.00 0.00 0.00 179.25 179.11 1i1s h THR 21 N 0.40 1.27 0.07 0.00 1.03 -0.77 -0.79 112.91 114.11 1i1s h THR 21 Ca 0.11 -1.27 -0.00 0.00 -0.01 0.00 0.00 66.41 65.24 1i1s h THR 21 Cb 0.07 1.10 0.00 0.00 -1.07 0.00 0.00 68.15 68.26 1i1s h THR 21 CO -0.02 0.43 -0.03 0.40 -0.01 0.00 0.00 175.52 176.29 1i1s h ILE 22 N 0.74 1.17 -0.96 0.00 1.08 -1.11 0.39 117.51 118.81 1i1s h ILE 22 Ca 0.11 -0.90 0.20 0.00 -0.39 0.00 0.00 64.86 63.88 1i1s h ILE 22 Cb 0.68 1.75 -0.09 0.00 -3.07 0.00 0.00 36.82 36.09 1i1s h ILE 22 CO 0.05 0.22 0.61 0.25 -0.69 0.00 0.00 178.15 178.59 1i1s h LEU 23 N -0.50 0.61 -0.29 1.44 5.85 -0.69 -0.56 115.31 121.16 1i1s h LEU 23 Ca -0.01 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1i1s h LEU 23 Cb 0.43 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1i1s h LEU 23 CO 0.02 0.23 0.09 0.40 -0.34 0.00 0.00 178.44 178.83 1i1s h ILE 24 N 0.60 1.20 -0.19 4.05 1.08 -0.60 0.45 117.51 124.10 1i1s h ILE 24 Ca 0.53 -0.66 -0.00 0.00 -0.39 0.00 0.00 64.86 64.33 1i1s h ILE 24 Cb 1.03 1.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.87 1i1s h ILE 24 CO -0.28 0.22 0.11 0.74 -0.69 0.00 0.00 178.15 178.25 1i1s h THR 25 N 0.30 1.10 0.02 -0.27 2.02 0.12 0.13 112.91 116.33 1i1s h THR 25 Ca 0.09 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1i1s h THR 25 Cb 0.25 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1i1s h THR 25 CO -0.00 0.10 -0.01 0.40 0.37 0.00 0.00 175.52 176.37 1i1s h ILE 26 N 0.21 0.99 -0.55 3.11 2.04 -1.28 -2.98 117.51 119.06 1i1s h ILE 26 Ca 0.07 -0.04 0.10 0.00 1.00 0.00 0.00 64.86 65.99 1i1s h ILE 26 Cb 0.06 1.02 -0.08 0.00 -0.74 0.00 0.00 36.82 37.08 1i1s h ILE 26 CO -0.01 0.01 0.11 0.00 0.00 0.00 0.00 178.15 178.26 1i1s h ALA 27 N 0.94 0.63 0.27 1.87 0.00 0.76 0.68 119.26 124.40 1i1s h ALA 27 Ca -0.00 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1i1s h ALA 27 Cb 0.04 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1i1s h ALA 27 CO 0.00 -0.30 -0.42 -0.22 0.00 0.00 0.00 179.25 178.31 1i1s h LYS 28 N 0.25 -0.72 -5.29 0.00 3.64 -0.86 -3.43 116.57 110.15 1i1s h LYS 28 Ca 0.28 0.05 -0.62 0.00 -1.27 0.00 0.00 60.65 59.09 1i1s h LYS 28 Cb 0.39 0.16 -0.13 0.00 -0.41 0.00 0.00 32.23 32.24 1i1s h LYS 28 CO -0.36 -0.48 -0.14 0.21 -2.27 0.00 0.00 179.45 176.41 1i1s s LYS 29 N -5.93 4.07 -0.45 1.90 2.20 0.23 -5.01 119.74 116.76 1i1s s LYS 29 Ca -0.17 0.19 -0.21 0.00 -0.36 0.00 0.00 55.97 55.42 1i1s s LYS 29 Cb 0.06 -3.63 0.03 0.00 -1.51 0.00 0.00 37.83 32.78 1i1s s LYS 29 CO 0.63 -0.25 0.68 -0.51 -0.36 0.00 0.00 175.35 175.53 1i1s s ASP 30 N 1.47 6.33 -0.97 1.43 1.11 -1.26 -2.82 116.67 121.96 1i1s s ASP 30 Ca 0.18 -0.33 -0.05 0.00 0.18 0.00 0.00 52.55 52.54 1i1s s ASP 30 Cb -0.16 -2.33 -0.06 0.00 1.07 0.00 0.00 42.92 41.45 1i1s s ASP 30 CO 0.09 -0.82 0.85 0.49 1.18 0.00 0.00 175.17 176.96 1i1s n PHE 31 N 6.37 -2.22 0.00 4.23 3.72 -1.25 -5.04 117.46 123.28 1i1s n PHE 31 Ca -0.01 0.79 0.00 0.00 -0.05 0.00 0.00 57.45 58.18 1i1s n PHE 31 Cb 0.48 -4.09 0.00 0.00 -0.94 0.00 0.00 39.48 34.93 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 -3.17 0.00 -4.02 4.37 3.06 -1.13 -4.85 119.36 113.62 1i1s n ILE 32 Ca -0.09 0.00 -0.10 0.00 -2.50 0.00 0.00 62.75 60.06 1i1s n ILE 32 Cb 0.62 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 -0.74 0.00 -0.32 9.51 -2.24 -1.26 -3.81 114.28 115.42 1i1s n THR 33 Ca 0.00 -1.26 0.04 0.00 -2.27 0.00 0.00 64.05 60.56 1i1s n THR 33 Cb 0.00 0.69 0.19 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 1.71 1.30 -0.24 6.98 0.00 -1.94 -2.28 119.26 124.78 1i1s h ALA 34 Ca -0.15 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1i1s h ALA 34 Cb 0.71 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1i1s h ALA 34 CO 0.21 0.18 -0.04 0.00 0.00 0.00 0.00 179.25 179.59 1i1s h ALA 35 N 1.48 0.17 -0.82 0.00 0.00 -1.99 0.12 119.26 118.23 1i1s h ALA 35 Ca 0.43 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 1i1s h ALA 35 Cb 0.37 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1i1s h ALA 35 CO -0.24 -0.46 0.43 1.49 0.00 0.00 0.00 179.25 180.47 1i1s h GLU 36 N 0.02 1.15 -0.94 0.00 4.81 -1.89 0.19 114.58 117.92 1i1s h GLU 36 Ca 0.12 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1i1s h GLU 36 Cb 0.17 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.28 1i1s h GLU 36 CO -0.23 0.86 0.62 0.28 -0.73 0.00 0.00 179.01 179.81 1i1s h VAL 37 N 1.15 1.22 -0.60 0.32 2.07 -0.79 0.48 116.25 120.10 1i1s h VAL 37 Ca 0.29 -0.43 0.09 0.00 0.82 0.00 0.00 66.70 67.46 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 0.24 0.03 0.02 0.00 0.00 177.57 178.05 1i1s h ARG 38 N 1.25 0.42 -0.27 1.57 3.08 -0.28 -3.29 114.38 116.87 1i1s h ARG 38 Ca 0.35 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 60.21 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 -0.09 0.28 -0.48 0.93 -1.07 0.00 0.00 179.97 179.54 1i1s h GLU 39 N 0.43 0.80 0.21 0.04 4.39 0.29 -3.06 114.58 117.68 1i1s h GLU 39 Ca 0.30 -0.50 0.01 0.00 0.34 0.00 0.00 59.36 59.50 1i1s h GLU 39 Cb 0.34 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 1i1s h GLU 39 CO -0.28 1.13 -0.30 -0.24 -1.16 0.00 0.00 179.01 178.16 1i1s h VAL 40 N 0.55 0.36 -2.25 3.13 3.04 -0.63 -3.46 116.25 117.00 1i1s h VAL 40 Ca 0.02 0.00 -0.58 0.00 -1.01 0.00 0.00 66.70 65.13 1i1s h VAL 40 Cb 1.09 0.36 0.03 0.00 -2.01 0.00 0.00 31.29 30.76 1i1s h VAL 40 CO 0.11 0.00 1.05 0.00 -1.01 0.00 0.00 177.57 177.72 1i1s n HIS 41 N -5.41 2.42 0.35 3.17 1.44 -1.16 -4.89 115.22 111.13 1i1s n HIS 41 Ca -0.08 -0.03 -0.14 0.00 -2.01 0.00 0.00 57.72 55.47 1i1s n HIS 41 Cb 0.32 -2.67 -0.06 0.00 0.12 0.00 0.00 29.99 27.69 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 8.48 -0.86 -1.07 -1.40 0.11 -1.92 -3.44 132.00 131.90 1i1s h PRO 42 Ca -0.47 0.06 -0.41 0.00 0.11 0.00 0.00 66.00 65.29 1i1s h PRO 42 Cb 1.25 0.19 -0.40 0.00 0.11 0.00 0.00 31.00 32.15 1i1s h PRO 42 CO 0.93 -0.57 -1.08 -0.25 -0.21 0.00 0.00 178.00 176.82 1i1s n ASP 43 N -4.67 2.23 -0.03 -2.05 9.92 -1.26 -4.65 116.55 116.04 1i1s n ASP 43 Ca -0.11 -2.91 -0.03 0.00 -0.53 0.00 0.00 54.79 51.22 1i1s n ASP 43 Cb 0.35 -0.51 -0.01 0.00 -0.64 0.00 0.00 41.12 40.31 1i1s n ASP 43 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1i1s n LEU 44 N -0.20 0.74 0.00 0.64 4.32 -1.26 -5.00 117.00 116.24 1i1s n LEU 44 Ca 0.16 0.26 0.00 0.00 -0.02 0.00 0.00 56.01 56.42 1i1s n LEU 44 Cb 0.79 -0.62 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 1i1s n LEU 44 CO 0.27 -0.45 0.00 0.61 -1.22 0.00 0.00 177.39 176.60 1i1s n GLY 45 N 1.59 2.71 0.26 -0.72 0.00 -1.26 -4.73 105.19 103.03 1i1s n GLY 45 Ca -0.04 -0.99 0.03 0.00 0.00 0.00 0.00 46.02 45.02 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 0.19 -0.34 1.61 -1.07 -1.96 0.69 115.58 114.72 1i1s h ASN 46 Ca 0.00 0.11 -0.01 0.00 0.07 0.00 0.00 56.30 56.47 1i1s h ASN 46 Cb 0.00 0.10 -0.02 0.00 -2.07 0.00 0.00 38.32 36.34 1i1s h ASN 46 CO 0.00 0.08 0.18 0.00 0.07 0.00 0.00 177.43 177.76 1i1s h ALA 47 N 1.51 0.43 -0.53 4.14 0.00 -2.01 -2.41 119.26 120.39 1i1s h ALA 47 Ca 0.37 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 1i1s h ALA 47 Cb 0.54 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1i1s h ALA 47 CO -0.39 -0.04 0.12 -0.39 0.00 0.00 0.00 179.25 178.56 1i1s h VAL 48 N 0.42 1.22 -0.64 0.00 -1.51 -0.50 -2.93 116.25 112.31 1i1s h VAL 48 Ca 0.12 -0.82 0.02 0.00 -1.23 0.00 0.00 66.70 64.79 1i1s h VAL 48 Cb 0.07 0.69 -0.04 0.00 -2.13 0.00 0.00 31.29 29.88 1i1s h VAL 48 CO -0.02 0.30 0.41 0.58 -1.23 0.00 0.00 177.57 177.62 1i1s h VAL 49 N 0.79 1.13 -0.50 7.19 2.07 0.54 0.59 116.25 128.05 1i1s h VAL 49 Ca 0.17 -0.28 0.08 0.00 0.82 0.00 0.00 66.70 67.49 1i1s h VAL 49 Cb 0.30 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 30.23 1i1s h VAL 49 CO -0.00 0.15 0.12 -1.13 0.02 0.00 0.00 177.57 176.73 1i1s h ASN 50 N 0.83 0.05 -0.56 0.57 -0.73 -1.41 -2.79 115.58 111.53 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 -0.05 0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.62 1i1s h ASN 50 CO -0.08 0.06 0.24 -1.28 -0.37 0.00 0.00 177.43 176.00 1i1s h SER 51 N 0.27 0.76 -0.39 1.15 0.87 -0.21 -2.77 113.55 113.23 1i1s h SER 51 Ca 0.25 -0.16 -0.13 0.00 -1.23 0.00 0.00 61.79 60.53 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 0.71 -0.23 0.78 -0.53 0.00 0.00 176.83 177.25 1i1s h ASN 52 N 0.77 0.92 -0.05 6.23 2.35 0.13 0.40 115.58 126.33 1i1s h ASN 52 Ca 0.19 -0.35 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1i1s h ASN 52 Cb 0.17 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 1i1s h ASN 52 CO -0.02 1.11 -0.00 0.40 -1.65 0.00 0.00 177.43 177.27 1i1s h ILE 53 N 0.78 1.26 -0.75 2.81 2.04 -1.55 -2.29 117.51 119.81 1i1s h ILE 53 Ca 0.10 -0.80 0.03 0.00 1.00 0.00 0.00 64.86 65.19 1i1s h ILE 53 Cb 0.78 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 1i1s h ILE 53 CO 0.06 0.22 0.48 1.23 0.00 0.00 0.00 178.15 180.14 1i1s h GLY 54 N -0.21 1.08 1.47 5.37 0.00 -1.22 0.62 103.07 110.17 1i1s h GLY 54 Ca 0.01 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 1i1s h GLY 54 CO 0.00 0.32 -0.29 -0.24 0.00 0.00 0.00 176.54 176.33 1i1s h VAL 55 N 0.94 1.28 -0.43 4.60 3.04 -0.23 0.60 116.25 126.05 1i1s h VAL 55 Ca 0.30 -1.38 0.07 0.00 -1.01 0.00 0.00 66.70 64.67 1i1s h VAL 55 Cb -0.01 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 0.10 -0.07 -1.01 0.00 0.00 177.57 176.93 1i1s h LEU 56 N 0.52 0.04 -0.67 3.16 4.07 -1.18 -2.78 115.31 118.47 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 0.76 0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.56 1i1s h LEU 56 CO 0.06 0.06 0.32 0.40 -1.08 0.00 0.00 178.44 178.20 1i1s h ILE 57 N 0.24 1.22 0.00 1.22 1.08 0.16 0.74 117.51 122.17 1i1s h ILE 57 Ca 0.21 -0.62 -0.04 0.00 -0.39 0.00 0.00 64.86 64.01 1i1s h ILE 57 Cb 0.25 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.40 1i1s h ILE 57 CO -0.26 0.26 -0.19 0.07 -0.69 0.00 0.00 178.15 177.34 1i1s h LYS 58 N 0.92 0.00 0.00 2.37 5.09 0.09 -1.27 116.57 123.78 1i1s h LYS 58 Ca 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.97 1i1s h LYS 58 Cb 0.11 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.44 1i1s h LYS 58 CO -0.03 0.19 -0.00 0.87 -2.09 0.00 0.00 179.45 178.39 1i1s h LYS 59 N 0.00 -0.00 -3.84 0.07 1.57 -1.18 -3.49 116.57 109.69 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 0.70 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.95 1i1s h LYS 59 CO 0.02 0.67 -0.67 0.41 -0.57 0.00 0.00 179.45 179.32 1i1s n GLY 60 N 0.75 -3.92 3.13 3.86 0.00 0.53 -5.06 105.19 104.48 1i1s n GLY 60 Ca -0.09 0.53 0.02 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.30 -1.49 -0.00 0.99 2.34 0.23 -4.94 118.68 115.50 1i1s s LEU 61 Ca -0.12 -0.10 -0.12 0.00 0.06 0.00 0.00 54.13 53.85 1i1s s LEU 61 Cb 0.01 1.89 0.01 0.00 -0.56 0.00 0.00 46.19 47.54 1i1s s LEU 61 CO 0.34 -0.28 0.24 0.54 -1.06 0.00 0.00 176.35 176.13 1i1s s VAL 62 N 2.57 0.07 -0.22 1.48 0.11 -1.18 -4.61 120.40 118.63 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 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 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 -1.46 3.84 -0.30 1.54 2.02 0.15 -4.19 118.70 120.30 1i1s s GLU 63 Ca -0.13 -0.40 -0.28 0.00 0.02 0.00 0.00 54.97 54.18 1i1s s GLU 63 Cb -0.06 -3.29 0.01 0.00 0.10 0.00 0.00 34.13 30.90 1i1s s GLU 63 CO 0.03 0.06 1.03 0.21 0.02 0.00 0.00 175.26 176.61 1i1s s LYS 64 N 0.97 4.09 -0.35 1.61 2.36 -1.26 -0.61 119.74 126.55 1i1s s LYS 64 Ca 0.04 1.06 -0.03 0.00 -2.55 0.00 0.00 55.97 54.49 1i1s s LYS 64 Cb -0.14 -3.72 0.07 0.00 -1.05 0.00 0.00 37.83 32.99 1i1s s LYS 64 CO 0.03 -0.83 0.09 0.45 1.55 0.00 0.00 175.35 176.64 1i1s s SER 65 N 1.57 5.11 -0.86 1.43 0.15 0.12 -4.94 113.70 116.28 1i1s s SER 65 Ca 0.44 -1.50 -0.10 0.00 0.70 0.00 0.00 55.95 55.49 1i1s s SER 65 Cb -0.13 -1.79 0.22 0.00 -1.71 0.00 0.00 66.02 62.62 1i1s s SER 65 CO 0.13 -0.37 0.79 -0.83 1.20 0.00 0.00 173.24 174.16 1i1s s GLY 66 N 1.49 2.80 -0.42 9.45 0.00 -1.26 -0.25 107.32 119.12 1i1s s GLY 66 Ca 0.00 -3.47 0.09 0.00 0.00 0.00 0.00 44.72 41.33 1i1s s GLY 66 CO -0.01 1.24 0.88 1.22 0.00 0.00 0.00 173.10 176.43 1i1s n ASP 67 N 3.47 -0.91 -3.77 1.64 8.00 -1.26 -5.15 116.55 118.57 1i1s n ASP 67 Ca 0.16 -3.29 -0.11 0.00 0.71 0.00 0.00 54.79 52.26 1i1s n ASP 67 Cb 0.43 0.66 -0.05 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 0.86 -0.12 0.44 0.00 0.66 -4.75 107.32 102.64 1i1s s GLY 68 Ca 0.31 -1.11 -0.07 0.00 0.00 0.00 0.00 44.72 43.85 1i1s s GLY 68 CO -0.09 -0.78 0.13 1.08 0.00 0.00 0.00 173.10 173.44 1i1s s LEU 69 N -3.09 4.30 -0.03 0.66 1.43 -1.25 0.12 118.68 120.82 1i1s s LEU 69 Ca 0.26 0.42 -0.22 0.00 -1.03 0.00 0.00 54.13 53.56 1i1s s LEU 69 Cb -0.00 -2.05 0.04 0.00 0.03 0.00 0.00 46.19 44.21 1i1s s LEU 69 CO 0.12 0.38 0.47 0.27 0.23 0.00 0.00 176.35 177.83 1i1s s ILE 70 N -0.88 0.03 0.35 -0.59 -4.36 0.22 -3.75 121.20 112.23 1i1s s ILE 70 Ca 0.14 -0.26 -0.01 0.00 -0.26 0.00 0.00 60.65 60.26 1i1s s ILE 70 Cb -0.12 -0.78 -0.04 0.00 1.25 0.00 0.00 42.46 42.78 1i1s s ILE 70 CO 0.03 -0.14 0.57 0.27 0.24 0.00 0.00 174.94 175.92 1i1s s ILE 71 N -1.22 5.07 0.98 8.37 -4.36 -1.26 0.31 121.20 129.10 1i1s s ILE 71 Ca -0.12 -0.28 -0.16 0.00 -0.26 0.00 0.00 60.65 59.83 1i1s s ILE 71 Cb -0.03 -3.84 0.20 0.00 1.25 0.00 0.00 42.46 40.04 1i1s s ILE 71 CO 0.07 -0.54 1.25 0.42 0.24 0.00 0.00 174.94 176.38 1i1s s THR 72 N -2.32 1.93 0.33 8.37 -4.23 -1.26 -4.71 115.64 113.75 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 0.36 0.00 1.85 1.23 -0.54 0.00 0.00 174.62 177.51 1i1s h GLY 73 N -1.74 1.38 0.69 3.99 0.00 -1.99 -2.14 103.07 103.26 1i1s h GLY 73 Ca -0.45 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 46.58 1i1s h GLY 73 CO 0.42 0.08 0.07 0.83 0.00 0.00 0.00 176.54 177.94 1i1s h GLU 74 N 0.76 0.17 -0.28 4.80 3.07 -1.97 0.19 114.58 121.32 1i1s h GLU 74 Ca 0.48 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 59.36 1i1s h GLU 74 Cb 0.72 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.56 1i1s h GLU 74 CO -0.24 0.11 0.10 0.00 -1.40 0.00 0.00 179.01 177.57 1i1s h ALA 75 N 1.20 0.32 -0.82 3.43 0.00 -1.87 -2.83 119.26 118.70 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 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1i1s h ALA 75 CO -0.16 -0.31 0.54 1.96 0.00 0.00 0.00 179.25 181.27 1i1s h GLN 76 N 0.22 0.56 -0.28 0.00 4.20 -0.32 0.66 115.11 120.15 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 -0.13 0.37 -0.05 0.22 -0.67 0.00 0.00 178.83 178.57 1i1s h ASP 77 N 0.58 0.53 -0.41 1.46 3.58 -1.15 -2.37 116.42 118.63 1i1s h ASP 77 Ca 0.40 -0.35 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 1i1s h ASP 77 Cb 0.74 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 1i1s h ASP 77 CO -0.16 0.75 0.19 0.40 -2.88 0.00 0.00 179.24 177.54 1i1s h ILE 78 N 0.30 1.18 -0.21 2.25 1.08 0.33 0.87 117.51 123.31 1i1s h ILE 78 Ca 0.07 -0.54 -0.04 0.00 -0.39 0.00 0.00 64.86 63.96 1i1s h ILE 78 Cb 0.51 0.78 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 1i1s h ILE 78 CO 0.02 0.20 -0.04 0.40 -0.69 0.00 0.00 178.15 178.04 1i1s h ILE 79 N 0.52 1.28 -0.34 -0.67 1.08 -0.29 0.42 117.51 119.51 1i1s h ILE 79 Ca 0.14 -1.01 0.02 0.00 -0.39 0.00 0.00 64.86 63.62 1i1s h ILE 79 Cb 0.14 1.51 -0.02 0.00 -3.07 0.00 0.00 36.82 35.37 1i1s h ILE 79 CO -0.02 0.31 0.18 0.28 -0.69 0.00 0.00 178.15 178.22 1i1s h SER 80 N 0.14 0.29 -0.37 1.72 0.02 -1.39 0.16 113.55 114.11 1i1s h SER 80 Ca 0.06 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1i1s h SER 80 Cb 0.48 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1i1s h SER 80 CO 0.02 0.21 0.14 0.78 -1.14 0.00 0.00 176.83 176.84 1i1s h ASN 81 N 0.38 0.52 -0.15 3.07 4.21 -0.63 -2.25 115.58 120.73 1i1s h ASN 81 Ca 0.14 -0.17 -0.03 0.00 1.21 0.00 0.00 56.30 57.45 1i1s h ASN 81 Cb 0.02 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.08 1i1s h ASN 81 CO -0.08 0.55 -0.00 0.00 -1.29 0.00 0.00 177.43 176.61 1i1s h ALA 82 N 0.99 0.21 -0.93 -0.83 0.00 -0.01 -1.76 119.26 116.93 1i1s h ALA 82 Ca 0.12 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.96 1i1s h ALA 82 Cb 0.20 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1i1s h ALA 82 CO -0.01 -0.08 0.60 0.00 0.00 0.00 0.00 179.25 179.75 1i1s h ALA 83 N 0.76 1.67 -0.62 0.00 0.00 -0.69 0.48 119.26 120.85 1i1s h ALA 83 Ca 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1i1s h ALA 83 Cb 0.39 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 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 1.19 -0.35 0.00 2.02 -1.13 0.50 112.91 116.00 1i1s h THR 84 Ca 0.46 -0.51 -0.12 0.00 0.77 0.00 0.00 66.41 67.01 1i1s h THR 84 Cb 0.56 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1i1s h THR 84 CO -0.22 0.22 -0.28 -0.07 0.37 0.00 0.00 175.52 175.53 1i1s h LEU 85 N 0.86 0.75 -0.69 2.58 3.38 0.67 -0.81 115.31 122.05 1i1s h LEU 85 Ca 0.22 -0.29 0.13 0.00 0.09 0.00 0.00 57.88 58.03 1i1s h LEU 85 Cb 0.05 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 40.50 1i1s h LEU 85 CO -0.03 0.99 0.24 0.22 0.09 0.00 0.00 178.44 179.94 1i1s h TYR 86 N 0.62 0.41 -0.88 1.13 5.03 -0.27 -3.15 116.97 119.87 1i1s h TYR 86 Ca 0.08 0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.40 1i1s h TYR 86 Cb 0.79 -0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.96 1i1s h TYR 86 CO 0.04 0.04 0.46 0.00 -1.32 0.00 0.00 178.16 177.39 1i1s h ALA 87 N 1.51 1.17 -0.70 1.82 0.00 0.14 0.32 119.26 123.52 1i1s h ALA 87 Ca 0.37 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1i1s h ALA 87 Cb 0.55 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1i1s h ALA 87 CO -0.39 0.66 0.46 -0.56 0.00 0.00 0.00 179.25 179.42 1i1s h GLN 88 N 1.23 0.91 0.01 0.00 3.07 -1.28 0.41 115.11 119.47 1i1s h GLN 88 Ca 0.31 -0.05 -0.33 0.00 0.09 0.00 0.00 58.65 58.66 1i1s h GLN 88 Cb 0.05 -0.21 -0.05 0.00 0.08 0.00 0.00 27.48 27.36 1i1s h GLN 88 CO -0.05 0.60 -1.82 0.39 0.09 0.00 0.00 178.83 178.05 1i1s n GLU 89 N -4.60 0.59 0.19 0.06 -0.58 -0.92 -4.33 120.64 111.05 1i1s n GLU 89 Ca 0.06 0.43 -0.08 0.00 -0.42 0.00 0.00 57.16 57.15 1i1s n GLU 89 Cb 0.02 -1.65 -0.04 0.00 -0.57 0.00 0.00 31.44 29.21 1i1s n GLU 89 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1i1s h ASN 90 N -0.86 -0.42 -5.26 1.62 2.35 -0.53 -3.49 115.58 108.99 1i1s h ASN 90 Ca -0.49 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.28 1i1s h ASN 90 Cb 1.50 0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.98 1i1s h ASN 90 CO -0.25 -0.22 -0.60 0.00 -1.65 0.00 0.00 177.43 174.71 1i1s n ALA 91 N -2.38 -3.11 -2.33 -0.83 0.00 0.15 -4.64 120.51 107.37 1i1s n ALA 91 Ca -0.06 1.06 -0.41 0.00 0.00 0.00 0.00 53.44 54.03 1i1s n ALA 91 Cb 0.20 -3.29 -0.04 0.00 0.00 0.00 0.00 19.45 16.32 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 -2.43 4.65 -0.03 0.00 0.04 -1.26 -3.89 135.00 132.08 1i1s s PRO 92 Ca 0.20 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.32 1i1s s PRO 92 Cb -0.06 -3.38 -0.07 0.00 0.04 0.00 0.00 34.50 31.03 1i1s s PRO 92 CO 0.77 0.20 1.76 -2.00 0.04 0.00 0.00 177.00 177.78 1i1s s GLU 93 N 0.09 4.16 0.25 4.56 -6.30 -1.26 -4.82 118.70 115.37 1i1s s GLU 93 Ca 0.46 2.32 0.00 0.00 -2.50 0.00 0.00 54.97 55.25 1i1s s GLU 93 Cb -0.23 -4.05 0.00 0.00 0.00 0.00 0.00 34.13 29.86 1i1s s GLU 93 CO 0.28 -0.90 0.00 -0.11 0.02 0.00 0.00 175.26 174.56 1i1s n LEU 94 N 7.31 -1.77 0.07 2.70 0.00 -1.25 -5.05 117.00 119.01 1i1s n LEU 94 Ca 0.18 0.47 0.00 0.00 0.00 0.00 0.00 56.01 56.67 1i1s n LEU 94 Cb 0.42 1.82 0.00 0.00 0.00 0.00 0.00 43.42 45.67 1i1s n LEU 94 CO 0.64 -0.23 0.00 -0.11 0.00 0.00 0.00 177.39 177.69 1i1s n LEU 95 N -3.09 0.45 0.00 -1.96 -0.00 -1.26 -5.07 117.00 106.06 1i1s n LEU 95 Ca 0.00 0.21 0.05 0.00 -0.00 0.00 0.00 56.01 56.27 1i1s n LEU 95 Cb 0.00 -0.03 0.31 0.00 -0.00 0.00 0.00 43.42 43.71 1i1s n LEU 95 CO 0.00 -0.70 0.53 1.17 -0.00 0.00 0.00 177.39 178.39