#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 6.92 0.52 3.17 0.01 -1.26 -4.70 113.70 118.36 1i1s s SER 2 Ca 0.00 -2.71 0.25 0.00 1.31 0.00 0.00 55.95 54.81 1i1s s SER 2 Cb 0.00 -2.36 1.41 0.00 0.21 0.00 0.00 66.02 65.27 1i1s s SER 2 CO 0.00 -0.79 2.07 0.07 0.41 0.00 0.00 173.24 175.00 1i1s h LYS 3 N 7.73 0.00 -0.92 12.44 2.10 -1.97 -3.40 116.57 132.55 1i1s h LYS 3 Ca 0.23 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.92 1i1s h LYS 3 Cb 0.94 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.22 1i1s h LYS 3 CO 1.13 0.12 0.60 -0.39 -2.00 0.00 0.00 179.45 178.92 1i1s h VAL 4 N 0.00 1.15 -0.89 0.07 -1.51 -1.90 0.51 116.25 113.68 1i1s h VAL 4 Ca -0.00 -0.39 0.04 0.00 -1.23 0.00 0.00 66.70 65.11 1i1s h VAL 4 Cb 0.31 -0.09 -0.05 0.00 -2.13 0.00 0.00 31.29 29.32 1i1s h VAL 4 CO 0.02 0.21 0.57 0.74 -1.23 0.00 0.00 177.57 177.87 1i1s h THR 5 N 1.14 1.13 -0.54 7.19 2.02 -1.85 0.17 112.91 122.17 1i1s h THR 5 Ca 0.37 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 1i1s h THR 5 Cb 0.03 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.36 1i1s h THR 5 CO -0.11 0.20 0.06 1.88 0.37 0.00 0.00 175.52 177.91 1i1s h TYR 6 N 1.10 0.92 -0.55 3.16 0.05 -0.39 -0.41 116.97 120.85 1i1s h TYR 6 Ca 0.36 -0.12 0.05 0.00 0.05 0.00 0.00 58.73 59.07 1i1s h TYR 6 Cb 0.02 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 37.46 1i1s h TYR 6 CO -0.02 0.81 0.29 0.82 -1.05 0.00 0.00 178.16 179.01 1i1s h ILE 7 N 0.82 0.96 -0.20 -2.88 1.08 0.97 0.49 117.51 118.76 1i1s h ILE 7 Ca 0.17 -0.19 0.04 0.00 -0.39 0.00 0.00 64.86 64.49 1i1s h ILE 7 Cb 0.41 0.36 -0.04 0.00 -3.07 0.00 0.00 36.82 34.48 1i1s h ILE 7 CO 0.01 0.10 -0.05 0.40 -0.69 0.00 0.00 178.15 177.92 1i1s h ILE 8 N 0.55 0.80 -0.16 -0.67 2.04 -0.54 0.25 117.51 119.77 1i1s h ILE 8 Ca 0.24 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.14 1i1s h ILE 8 Cb 0.14 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1i1s h ILE 8 CO -0.16 0.00 -0.11 0.50 0.00 0.00 0.00 178.15 178.38 1i1s h LYS 9 N -0.01 -0.11 -0.17 2.37 1.63 -0.30 0.27 116.57 120.25 1i1s h LYS 9 Ca 0.10 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.84 1i1s h LYS 9 Cb 0.15 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1i1s h LYS 9 CO -0.21 -0.07 -0.12 0.00 -3.45 0.00 0.00 179.45 175.60 1i1s h ALA 10 N 1.00 0.25 -0.67 5.00 0.00 0.13 -2.48 119.26 122.49 1i1s h ALA 10 Ca 0.10 -0.30 0.13 0.00 0.00 0.00 0.00 54.91 54.84 1i1s h ALA 10 Cb 0.26 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 1i1s h ALA 10 CO -0.23 0.10 0.15 1.03 0.00 0.00 0.00 179.25 180.30 1i1s h SER 11 N 0.05 0.01 0.00 0.00 0.87 -0.93 -3.46 113.55 110.09 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 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1i1s h SER 11 CO 0.03 -0.01 0.00 -3.20 -0.53 0.00 0.00 176.83 173.12 1i1s n ASN 12 N -5.14 0.00 -4.15 6.23 5.15 -0.37 -4.78 115.26 112.21 1i1s n ASN 12 Ca 0.11 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.80 1i1s n ASN 12 Cb 0.39 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.58 1i1s n ASN 12 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1i1s n ASP 13 N 0.00 -0.36 -0.05 1.20 5.68 0.80 -4.87 116.55 118.95 1i1s n ASP 13 Ca 0.00 -1.11 -0.04 0.00 -0.50 0.00 0.00 54.79 53.14 1i1s n ASP 13 Cb 0.00 -2.44 -0.01 0.00 -1.14 0.00 0.00 41.12 37.52 1i1s n ASP 13 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1i1s n VAL 14 N -4.44 1.00 -0.81 2.12 0.31 -1.26 -5.05 118.33 110.20 1i1s n VAL 14 Ca -0.24 0.29 -0.29 0.00 -0.01 0.00 0.00 64.34 64.09 1i1s n VAL 14 Cb 0.65 -2.11 0.21 0.00 -0.91 0.00 0.00 33.84 31.68 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 -7.07 1.41 0.00 7.52 2.01 -1.26 -5.07 118.68 116.22 1i1s s LEU 15 Ca -0.13 1.49 0.00 0.00 0.01 0.00 0.00 54.13 55.50 1i1s s LEU 15 Cb 0.02 -3.58 0.00 0.00 0.01 0.00 0.00 46.19 42.63 1i1s s LEU 15 CO 0.19 -3.62 0.00 0.59 1.01 0.00 0.00 176.35 174.52 1i1s n ASN 16 N -4.53 0.00 0.17 2.29 3.02 -1.26 -4.82 115.26 110.13 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 39.65 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 -0.63 -0.05 3.52 3.07 -1.98 -3.18 114.58 115.34 1i1s h GLU 17 Ca 0.00 0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1i1s h GLU 17 Cb 0.00 0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1i1s h GLU 17 CO 0.00 -0.42 0.01 0.87 -1.40 0.00 0.00 179.01 178.07 1i1s h LYS 18 N -0.65 0.07 -0.23 2.33 1.57 -1.96 0.14 116.57 117.84 1i1s h LYS 18 Ca 0.00 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1i1s h LYS 18 Cb 0.63 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1i1s h LYS 18 CO -0.13 0.25 -0.10 1.79 -0.57 0.00 0.00 179.45 180.69 1i1s h THR 19 N -0.12 1.20 -0.32 -0.16 1.35 -1.91 -0.79 112.91 112.16 1i1s h THR 19 Ca 0.02 -0.87 -0.01 0.00 -0.55 0.00 0.00 66.41 65.00 1i1s h THR 19 Cb 0.21 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.76 1i1s h THR 19 CO -0.00 0.28 0.18 0.00 -0.25 0.00 0.00 175.52 175.72 1i1s h ALA 20 N 1.54 0.42 -0.43 6.62 0.00 -1.13 0.18 119.26 126.45 1i1s h ALA 20 Ca 0.07 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1i1s h ALA 20 Cb 0.41 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1i1s h ALA 20 CO 0.02 -0.05 -0.16 0.00 0.00 0.00 0.00 179.25 179.06 1i1s h THR 21 N 0.40 1.27 0.07 0.00 1.03 -0.58 -2.22 112.91 112.87 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 1.11 0.00 0.00 -1.07 0.00 0.00 68.15 68.25 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 0.73 1.18 -0.94 0.00 1.08 -0.95 -1.50 117.51 117.11 1i1s h ILE 22 Ca 0.11 -0.91 0.20 0.00 -0.39 0.00 0.00 64.86 63.88 1i1s h ILE 22 Cb 0.67 1.76 -0.08 0.00 -3.07 0.00 0.00 36.82 36.11 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 -0.51 0.50 -0.26 1.44 5.85 -0.71 -1.28 115.31 120.34 1i1s h LEU 23 Ca -0.01 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1i1s h LEU 23 Cb 0.44 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1i1s h LEU 23 CO 0.02 0.19 0.08 0.40 -0.34 0.00 0.00 178.44 178.78 1i1s h ILE 24 N 0.49 1.20 -0.17 4.05 1.08 -1.02 0.43 117.51 123.58 1i1s h ILE 24 Ca 0.50 -0.65 0.01 0.00 -0.39 0.00 0.00 64.86 64.33 1i1s h ILE 24 Cb 1.14 1.13 -0.01 0.00 -3.07 0.00 0.00 36.82 36.00 1i1s h ILE 24 CO -0.23 0.21 0.08 0.74 -0.69 0.00 0.00 178.15 178.26 1i1s h THR 25 N 0.26 0.99 -0.00 -0.27 2.02 -0.20 0.11 112.91 115.83 1i1s h THR 25 Ca 0.08 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1i1s h THR 25 Cb 0.25 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1i1s h THR 25 CO -0.00 0.03 -0.01 0.40 0.37 0.00 0.00 175.52 176.31 1i1s h ILE 26 N 0.17 0.97 -0.54 3.11 2.04 -1.44 -2.97 117.51 118.85 1i1s h ILE 26 Ca 0.07 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.02 1i1s h ILE 26 Cb 0.02 0.97 -0.08 0.00 -0.74 0.00 0.00 36.82 37.00 1i1s h ILE 26 CO -0.05 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.21 1i1s h ALA 27 N 0.99 0.62 0.13 1.87 0.00 0.77 0.60 119.26 124.24 1i1s h ALA 27 Ca 0.01 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1i1s h ALA 27 Cb 0.02 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1i1s h ALA 27 CO -0.01 -0.31 -0.37 -0.22 0.00 0.00 0.00 179.25 178.34 1i1s h LYS 28 N 0.24 -0.59 -5.38 0.00 3.11 -0.87 -3.44 116.57 109.64 1i1s h LYS 28 Ca 0.28 0.04 -0.61 0.00 -2.81 0.00 0.00 60.65 57.55 1i1s h LYS 28 Cb 0.39 0.13 -0.12 0.00 -1.00 0.00 0.00 32.23 31.64 1i1s h LYS 28 CO -0.36 -0.40 -0.20 0.21 -2.81 0.00 0.00 179.45 175.89 1i1s s LYS 29 N -5.96 4.15 -0.40 1.90 2.20 0.20 -5.02 119.74 116.80 1i1s s LYS 29 Ca -0.16 0.18 -0.19 0.00 -0.36 0.00 0.00 55.97 55.43 1i1s s LYS 29 Cb 0.08 -3.55 0.01 0.00 -1.51 0.00 0.00 37.83 32.86 1i1s s LYS 29 CO 0.64 -0.07 0.56 -0.51 -0.36 0.00 0.00 175.35 175.60 1i1s s ASP 30 N 1.13 6.29 -1.08 1.43 1.01 -1.26 -3.35 116.67 120.84 1i1s s ASP 30 Ca 0.18 -0.31 -0.09 0.00 0.71 0.00 0.00 52.55 53.05 1i1s s ASP 30 Cb -0.15 -2.28 -0.05 0.00 1.01 0.00 0.00 42.92 41.45 1i1s s ASP 30 CO 0.08 -0.64 0.89 0.49 0.21 0.00 0.00 175.17 176.21 1i1s n PHE 31 N 5.94 -2.33 0.00 4.23 3.01 -1.24 -5.04 117.46 122.03 1i1s n PHE 31 Ca -0.04 0.78 0.00 0.00 1.01 0.00 0.00 57.45 59.20 1i1s n PHE 31 Cb 0.48 -4.04 0.00 0.00 -0.01 0.00 0.00 39.48 35.91 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 -3.49 0.00 -4.10 4.37 3.06 -1.21 -4.88 119.36 113.11 1i1s n ILE 32 Ca -0.09 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.03 1i1s n ILE 32 Cb 0.62 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.75 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 -0.94 0.00 -0.26 9.51 -2.24 -1.26 -3.64 114.28 115.45 1i1s n THR 33 Ca 0.00 -1.65 0.05 0.00 -2.27 0.00 0.00 64.05 60.18 1i1s n THR 33 Cb 0.00 0.90 0.19 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 1.85 1.08 -0.28 6.98 0.00 -1.95 -1.95 119.26 124.99 1i1s h ALA 34 Ca -0.19 0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1i1s h ALA 34 Cb 0.92 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1i1s h ALA 34 CO 0.27 -0.17 -0.07 0.00 0.00 0.00 0.00 179.25 179.28 1i1s h ALA 35 N 1.53 0.18 -0.74 0.00 0.00 -1.97 0.10 119.26 118.37 1i1s h ALA 35 Ca 0.41 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 1i1s h ALA 35 Cb 0.60 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1i1s h ALA 35 CO -0.38 -0.47 0.38 1.49 0.00 0.00 0.00 179.25 180.28 1i1s h GLU 36 N -0.00 1.05 -0.91 0.00 4.81 -1.89 -0.53 114.58 117.10 1i1s h GLU 36 Ca 0.14 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1i1s h GLU 36 Cb 0.21 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 1i1s h GLU 36 CO -0.29 0.80 0.60 0.28 -0.73 0.00 0.00 179.01 179.67 1i1s h VAL 37 N 1.03 1.22 -0.73 0.32 2.07 -0.48 0.50 116.25 120.19 1i1s h VAL 37 Ca 0.26 -0.42 0.11 0.00 0.82 0.00 0.00 66.70 67.47 1i1s h VAL 37 Cb 0.08 -0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 29.66 1i1s h VAL 37 CO -0.04 0.22 0.33 0.03 0.02 0.00 0.00 177.57 178.14 1i1s h ARG 38 N 1.22 0.52 -0.27 1.57 3.08 -0.52 -2.96 114.38 117.02 1i1s h ARG 38 Ca 0.34 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 60.20 1i1s h ARG 38 Cb -0.11 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 1i1s h ARG 38 CO -0.08 0.34 -0.45 0.93 -1.07 0.00 0.00 179.97 179.64 1i1s h GLU 39 N 0.53 0.79 0.00 0.04 4.39 0.14 -3.24 114.58 117.23 1i1s h GLU 39 Ca 0.38 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1i1s h GLU 39 Cb 0.47 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1i1s h GLU 39 CO -0.32 1.11 -0.24 1.55 -1.16 0.00 0.00 179.01 179.95 1i1s n VAL 40 N -4.12 0.18 -2.06 3.13 3.14 0.13 -4.57 118.33 114.16 1i1s n VAL 40 Ca -0.05 -0.10 -0.42 0.00 -2.96 0.00 0.00 64.34 60.81 1i1s n VAL 40 Cb 0.57 -0.26 -0.03 0.00 -1.06 0.00 0.00 33.84 33.07 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 -3.05 2.56 0.01 1.45 -3.43 -1.12 -4.83 115.29 106.88 1i1s s HIS 41 Ca 0.11 0.52 -0.20 0.00 -0.80 0.00 0.00 55.06 54.69 1i1s s HIS 41 Cb 0.16 -3.83 -0.11 0.00 -1.43 0.00 0.00 32.58 27.37 1i1s s HIS 41 CO 0.62 -3.27 0.97 -1.00 -2.00 0.00 0.00 174.74 170.06 1i1s h PRO 42 N 8.23 -0.68 -0.84 -0.38 0.13 -1.88 -3.46 132.00 133.12 1i1s h PRO 42 Ca -0.40 0.05 -0.43 0.00 -0.87 0.00 0.00 66.00 64.34 1i1s h PRO 42 Cb 1.19 0.15 -0.41 0.00 0.13 0.00 0.00 31.00 32.06 1i1s h PRO 42 CO 0.92 -0.45 -0.96 -0.40 -0.23 0.00 0.00 178.00 176.88 1i1s n ASP 43 N -4.58 3.27 -0.01 1.44 5.75 -1.26 -4.55 116.55 116.61 1i1s n ASP 43 Ca -0.09 -3.04 -0.01 0.00 -0.01 0.00 0.00 54.79 51.65 1i1s n ASP 43 Cb 0.28 -0.44 -0.00 0.00 -1.03 0.00 0.00 41.12 39.93 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 -0.52 0.14 0.00 -2.12 4.32 -1.26 -5.14 117.00 112.42 1i1s n LEU 44 Ca 0.26 0.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.40 1i1s n LEU 44 Cb 0.83 -0.52 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 1i1s n LEU 44 CO 0.26 -0.49 0.00 0.61 -1.22 0.00 0.00 177.39 176.55 1i1s n GLY 45 N 1.62 4.59 0.10 -0.72 0.00 -1.26 -4.79 105.19 104.72 1i1s n GLY 45 Ca -0.01 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 1i1s n GLY 45 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1i1s h ASN 46 N 0.00 -0.18 -0.22 1.61 -1.24 -1.93 0.22 115.58 113.84 1i1s h ASN 46 Ca 0.00 0.05 -0.04 0.00 0.71 0.00 0.00 56.30 57.01 1i1s h ASN 46 Cb 0.00 0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 1i1s h ASN 46 CO 0.00 -0.07 -0.04 0.00 -1.29 0.00 0.00 177.43 176.03 1i1s h ALA 47 N 1.08 0.30 -0.48 1.57 0.00 -2.01 -2.80 119.26 116.91 1i1s h ALA 47 Ca 0.07 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1i1s h ALA 47 Cb 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1i1s h ALA 47 CO -0.15 0.06 0.11 -0.39 0.00 0.00 0.00 179.25 178.88 1i1s h VAL 48 N 0.14 1.24 -0.82 0.00 -1.51 -1.84 -2.89 116.25 110.58 1i1s h VAL 48 Ca 0.06 -0.85 0.03 0.00 -1.23 0.00 0.00 66.70 64.70 1i1s h VAL 48 Cb 0.48 0.87 -0.05 0.00 -2.13 0.00 0.00 31.29 30.45 1i1s h VAL 48 CO 0.02 0.30 0.53 0.58 -1.23 0.00 0.00 177.57 177.77 1i1s h VAL 49 N 0.66 1.14 -0.51 7.19 2.07 -0.51 0.56 116.25 126.86 1i1s h VAL 49 Ca 0.15 -0.35 0.08 0.00 0.82 0.00 0.00 66.70 67.40 1i1s h VAL 49 Cb 0.34 0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 30.06 1i1s h VAL 49 CO 0.00 0.19 0.12 -1.13 0.02 0.00 0.00 177.57 176.77 1i1s h ASN 50 N 1.03 0.04 -0.56 0.57 -0.73 -1.46 -1.94 115.58 112.54 1i1s h ASN 50 Ca 0.32 0.09 -0.03 0.00 1.87 0.00 0.00 56.30 58.55 1i1s h ASN 50 Cb -0.01 0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 1i1s h ASN 50 CO -0.11 0.05 0.24 -1.28 -0.37 0.00 0.00 177.43 175.96 1i1s h SER 51 N 0.26 0.75 -0.38 1.15 0.87 -0.46 -2.83 113.55 112.92 1i1s h SER 51 Ca 0.26 -0.15 -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 62.09 1i1s h SER 51 CO -0.32 0.70 -0.25 0.78 -0.53 0.00 0.00 176.83 177.22 1i1s h ASN 52 N 0.76 0.92 -0.05 6.23 2.35 0.42 0.43 115.58 126.64 1i1s h ASN 52 Ca 0.19 -0.35 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1i1s h ASN 52 Cb 0.17 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 1i1s h ASN 52 CO -0.02 1.12 -0.02 0.40 -1.65 0.00 0.00 177.43 177.26 1i1s h ILE 53 N 0.77 1.32 -0.83 2.81 2.04 -1.45 -2.55 117.51 119.62 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 38.72 1i1s h ILE 53 CO 0.07 0.27 0.53 1.23 0.00 0.00 0.00 178.15 180.25 1i1s h GLY 54 N -0.29 1.20 1.48 5.37 0.00 -1.27 0.16 103.07 109.71 1i1s h GLY 54 Ca 0.01 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 1i1s h GLY 54 CO 0.01 0.36 -0.29 -0.24 0.00 0.00 0.00 176.54 176.37 1i1s h VAL 55 N 1.04 1.28 -0.44 4.60 3.04 -0.19 0.58 116.25 126.16 1i1s h VAL 55 Ca 0.33 -1.38 0.07 0.00 -1.01 0.00 0.00 66.70 64.70 1i1s h VAL 55 Cb -0.01 1.37 -0.06 0.00 -2.01 0.00 0.00 31.29 30.58 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 0.51 0.06 -0.68 3.16 4.07 -1.23 -2.75 115.31 118.44 1i1s h LEU 56 Ca 0.07 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 1i1s h LEU 56 Cb 0.76 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.55 1i1s h LEU 56 CO 0.06 0.07 0.36 0.40 -1.08 0.00 0.00 178.44 178.24 1i1s h ILE 57 N 0.26 1.22 0.00 1.22 1.08 0.13 0.63 117.51 122.04 1i1s h ILE 57 Ca 0.22 -0.58 -0.05 0.00 -0.39 0.00 0.00 64.86 64.05 1i1s h ILE 57 Cb 0.25 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.35 1i1s h ILE 57 CO -0.26 0.25 -0.26 0.07 -0.69 0.00 0.00 178.15 177.26 1i1s h LYS 58 N 0.94 0.00 0.01 2.37 5.09 0.07 -2.06 116.57 123.00 1i1s h LYS 58 Ca 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.98 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 0.26 -0.00 0.87 -2.09 0.00 0.00 179.45 178.45 1i1s h LYS 59 N 0.00 -0.01 -3.74 0.07 1.57 -1.19 -3.49 116.57 109.78 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 0.75 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.01 1i1s h LYS 59 CO 0.03 0.68 -0.60 0.41 -0.57 0.00 0.00 179.45 179.41 1i1s n GLY 60 N 0.79 -3.81 3.16 3.86 0.00 0.22 -5.06 105.19 104.34 1i1s n GLY 60 Ca -0.09 0.43 0.03 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.59 -0.00 0.99 2.34 0.20 -4.95 118.68 115.40 1i1s s LEU 61 Ca -0.11 -0.05 -0.12 0.00 0.06 0.00 0.00 54.13 53.91 1i1s s LEU 61 Cb 0.01 1.99 0.02 0.00 -0.56 0.00 0.00 46.19 47.65 1i1s s LEU 61 CO 0.30 -0.27 0.25 0.54 -1.06 0.00 0.00 176.35 176.11 1i1s s VAL 62 N 2.59 0.07 -0.24 1.48 0.11 -1.14 -4.62 120.40 118.66 1i1s s VAL 62 Ca 0.11 -0.57 -0.08 0.00 -2.93 0.00 0.00 61.98 58.52 1i1s s VAL 62 Cb -0.09 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1i1s s VAL 62 CO -0.22 -0.31 0.08 -1.61 -3.33 0.00 0.00 175.10 169.71 1i1s s GLU 63 N -1.44 3.75 -0.36 1.54 2.02 0.15 -4.13 118.70 120.22 1i1s s GLU 63 Ca -0.13 -0.44 -0.28 0.00 0.02 0.00 0.00 54.97 54.14 1i1s s GLU 63 Cb -0.06 -3.33 0.02 0.00 0.10 0.00 0.00 34.13 30.86 1i1s s GLU 63 CO 0.03 -0.10 1.05 0.21 0.02 0.00 0.00 175.26 176.47 1i1s s LYS 64 N 1.38 3.96 -0.35 1.61 2.36 -1.26 -0.23 119.74 127.21 1i1s s LYS 64 Ca 0.05 0.87 -0.03 0.00 -2.55 0.00 0.00 55.97 54.31 1i1s s LYS 64 Cb -0.15 -3.78 0.07 0.00 -1.05 0.00 0.00 37.83 32.92 1i1s s LYS 64 CO 0.04 -1.00 0.09 0.45 1.55 0.00 0.00 175.35 176.49 1i1s s SER 65 N 1.85 5.11 -0.73 1.43 0.15 0.12 -4.94 113.70 116.69 1i1s s SER 65 Ca 0.44 -1.50 -0.20 0.00 0.70 0.00 0.00 55.95 55.39 1i1s s SER 65 Cb -0.11 -1.79 0.10 0.00 -1.71 0.00 0.00 66.02 62.51 1i1s s SER 65 CO 0.19 -0.37 0.96 -0.83 1.20 0.00 0.00 173.24 174.39 1i1s s GLY 66 N 1.49 1.65 -0.24 9.45 0.00 -1.26 0.34 107.32 118.75 1i1s s GLY 66 Ca 0.00 -2.25 -0.06 0.00 0.00 0.00 0.00 44.72 42.41 1i1s s GLY 66 CO -0.01 1.93 -0.15 1.22 0.00 0.00 0.00 173.10 176.10 1i1s n ASP 67 N 6.99 1.98 -4.68 1.64 8.00 -1.26 -5.16 116.55 124.06 1i1s n ASP 67 Ca 0.04 0.11 -0.23 0.00 0.71 0.00 0.00 54.79 55.42 1i1s n ASP 67 Cb 0.46 -0.65 -0.07 0.00 -0.02 0.00 0.00 41.12 40.84 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 -5.92 1.76 -0.08 0.44 0.00 0.15 -4.79 107.32 98.89 1i1s s GLY 68 Ca -0.34 -1.72 -0.13 0.00 0.00 0.00 0.00 44.72 42.53 1i1s s GLY 68 CO 0.59 -1.73 0.33 1.08 0.00 0.00 0.00 173.10 173.37 1i1s s LEU 69 N -3.74 4.38 -0.04 0.66 1.43 -1.24 0.16 118.68 120.29 1i1s s LEU 69 Ca 0.34 0.73 -0.22 0.00 -1.03 0.00 0.00 54.13 53.95 1i1s s LEU 69 Cb -0.05 -2.44 0.04 0.00 0.03 0.00 0.00 46.19 43.78 1i1s s LEU 69 CO 0.21 0.25 0.48 0.27 0.23 0.00 0.00 176.35 177.79 1i1s s ILE 70 N -0.50 0.03 0.15 -0.59 -4.36 0.68 -3.73 121.20 112.88 1i1s s ILE 70 Ca 0.20 -0.25 -0.04 0.00 -0.26 0.00 0.00 60.65 60.31 1i1s s ILE 70 Cb -0.15 -0.78 -0.05 0.00 1.25 0.00 0.00 42.46 42.73 1i1s s ILE 70 CO 0.09 -0.14 0.36 0.27 0.24 0.00 0.00 174.94 175.77 1i1s s ILE 71 N -1.17 5.19 0.71 8.37 -4.36 -1.26 0.29 121.20 128.97 1i1s s ILE 71 Ca -0.12 -0.07 -0.11 0.00 -0.26 0.00 0.00 60.65 60.09 1i1s s ILE 71 Cb -0.03 -3.64 0.02 0.00 1.25 0.00 0.00 42.46 40.06 1i1s s ILE 71 CO 0.06 0.01 1.10 0.42 0.24 0.00 0.00 174.94 176.77 1i1s s THR 72 N -1.68 3.48 0.59 8.37 -4.23 -1.26 -4.73 115.64 116.17 1i1s s THR 72 Ca 0.40 0.48 0.29 0.00 -1.18 0.00 0.00 61.69 61.68 1i1s s THR 72 Cb -0.12 -3.46 0.38 0.00 1.34 0.00 0.00 72.50 70.64 1i1s s THR 72 CO 0.26 -0.63 1.92 1.23 -0.54 0.00 0.00 174.62 176.86 1i1s h GLY 73 N -0.68 0.00 0.70 3.99 0.00 -1.99 0.63 103.07 105.72 1i1s h GLY 73 Ca -0.45 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.90 1i1s h GLY 73 CO 0.63 0.00 -0.10 0.83 0.00 0.00 0.00 176.54 177.90 1i1s h GLU 74 N 0.00 -0.16 -0.30 4.80 3.07 -1.96 -1.91 114.58 118.13 1i1s h GLU 74 Ca 0.19 0.01 0.03 0.00 -0.50 0.00 0.00 59.36 59.10 1i1s h GLU 74 Cb 1.07 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.98 1i1s h GLU 74 CO -0.00 -0.10 0.10 0.00 -1.40 0.00 0.00 179.01 177.60 1i1s h ALA 75 N 0.84 0.34 -0.82 3.43 0.00 -1.22 -2.00 119.26 119.82 1i1s h ALA 75 Ca 0.05 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.13 1i1s h ALA 75 Cb 0.23 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1i1s h ALA 75 CO -0.13 -0.30 0.54 1.96 0.00 0.00 0.00 179.25 181.32 1i1s h GLN 76 N 0.23 0.56 -0.36 0.00 1.08 -1.06 0.62 115.11 116.18 1i1s h GLN 76 Ca 0.13 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.22 1i1s h GLN 76 Cb 0.10 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1i1s h GLN 76 CO -0.14 0.37 -0.07 0.22 -0.95 0.00 0.00 178.83 178.27 1i1s h ASP 77 N 0.58 0.67 -0.24 1.46 1.82 -1.04 -2.80 116.42 116.87 1i1s h ASP 77 Ca 0.40 -0.35 -0.01 0.00 -0.39 0.00 0.00 57.03 56.68 1i1s h ASP 77 Cb 0.74 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 1i1s h ASP 77 CO -0.16 0.87 0.11 0.40 -1.61 0.00 0.00 179.24 178.85 1i1s h ILE 78 N 0.47 1.15 -0.18 2.25 1.08 0.73 -2.47 117.51 120.54 1i1s h ILE 78 Ca 0.09 -0.45 -0.05 0.00 -0.39 0.00 0.00 64.86 64.07 1i1s h ILE 78 Cb 0.56 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 1i1s h ILE 78 CO 0.03 0.15 -0.07 0.40 -0.69 0.00 0.00 178.15 177.98 1i1s h ILE 79 N 0.26 1.30 -0.27 -0.67 1.08 -0.31 0.40 117.51 119.29 1i1s h ILE 79 Ca 0.08 -1.09 -0.00 0.00 -0.39 0.00 0.00 64.86 63.46 1i1s h ILE 79 Cb 0.14 1.63 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 1i1s h ILE 79 CO -0.01 0.33 0.15 0.28 -0.69 0.00 0.00 178.15 178.21 1i1s h SER 80 N 0.07 0.33 -0.35 1.72 0.02 -1.53 0.69 113.55 114.49 1i1s h SER 80 Ca 0.04 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1i1s h SER 80 Cb 0.53 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1i1s h SER 80 CO 0.02 0.30 0.09 -1.13 -1.14 0.00 0.00 176.83 174.98 1i1s h ASN 81 N 0.32 0.53 -0.15 3.07 -1.24 -1.39 -2.91 115.58 113.80 1i1s h ASN 81 Ca 0.09 -0.22 -0.02 0.00 0.71 0.00 0.00 56.30 56.86 1i1s h ASN 81 Cb 0.04 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 38.95 1i1s h ASN 81 CO -0.02 0.61 0.00 0.00 -1.29 0.00 0.00 177.43 176.74 1i1s h ALA 82 N 0.93 0.21 -0.95 1.57 0.00 0.09 -0.52 119.26 120.59 1i1s h ALA 82 Ca 0.11 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.95 1i1s h ALA 82 Cb 0.29 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 1i1s h ALA 82 CO -0.00 -0.09 0.60 0.00 0.00 0.00 0.00 179.25 179.76 1i1s h ALA 83 N 0.77 1.62 -0.88 0.00 0.00 -0.94 0.30 119.26 120.13 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 0.37 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1i1s h ALA 83 CO 0.01 0.15 0.48 1.15 0.00 0.00 0.00 179.25 181.03 1i1s h THR 84 N 0.90 1.26 -0.82 0.00 2.02 -1.21 0.40 112.91 115.46 1i1s h THR 84 Ca 0.46 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1i1s h THR 84 Cb 0.51 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 1i1s h THR 84 CO -0.22 0.29 0.49 -0.07 0.37 0.00 0.00 175.52 176.38 1i1s h LEU 85 N 1.23 0.99 -1.01 2.58 3.38 0.99 0.37 115.31 123.84 1i1s h LEU 85 Ca 0.31 -0.07 0.18 0.00 0.09 0.00 0.00 57.88 58.39 1i1s h LEU 85 Cb 0.04 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 40.44 1i1s h LEU 85 CO -0.05 0.77 0.62 0.22 0.09 0.00 0.00 178.44 180.09 1i1s h TYR 86 N 1.13 1.09 -0.52 1.13 5.03 -0.15 -2.49 116.97 122.19 1i1s h TYR 86 Ca 0.30 0.03 0.06 0.00 2.58 0.00 0.00 58.73 61.70 1i1s h TYR 86 Cb -0.04 -0.33 -0.05 0.00 1.55 0.00 0.00 36.73 37.86 1i1s h TYR 86 CO -0.00 0.28 0.22 0.00 -1.32 0.00 0.00 178.16 177.34 1i1s h ALA 87 N 1.62 0.66 -0.61 1.82 0.00 0.40 0.65 119.26 123.81 1i1s h ALA 87 Ca 0.56 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.50 1i1s h ALA 87 Cb 0.82 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1i1s h ALA 87 CO -0.36 -0.16 0.31 -0.56 0.00 0.00 0.00 179.25 178.48 1i1s h GLN 88 N 0.42 0.86 0.00 0.00 3.07 -0.87 0.80 115.11 119.39 1i1s h GLN 88 Ca 0.24 -0.12 0.00 0.00 0.09 0.00 0.00 58.65 58.87 1i1s h GLN 88 Cb 0.23 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 27.63 1i1s h GLN 88 CO -0.22 0.68 0.00 0.39 0.09 0.00 0.00 178.83 179.77 1i1s n GLU 89 N -4.53 0.00 0.00 0.06 -0.58 -1.24 -4.70 120.64 109.65 1i1s n GLU 89 Ca 0.04 0.32 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 1i1s n GLU 89 Cb 0.11 -1.08 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 1i1s n GLU 89 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1i1s n ASN 90 N -1.47 0.00 -2.30 1.62 3.02 0.22 -2.11 115.26 114.24 1i1s n ASN 90 Ca 0.00 0.56 0.00 0.00 -0.03 0.00 0.00 54.58 55.11 1i1s n ASN 90 Cb 0.00 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 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 -1.34 -0.76 -0.72 5.41 0.00 0.21 -1.21 120.51 122.10 1i1s n ALA 91 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1i1s n ALA 91 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 1i1s n ALA 91 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1i1s n PRO 92 N -0.73 -0.93 -1.06 0.00 -0.01 -1.26 0.27 135.00 131.28 1i1s n PRO 92 Ca 0.00 -0.24 -0.23 0.00 -0.01 0.00 0.00 63.50 63.02 1i1s n PRO 92 Cb 0.00 -1.85 -0.10 0.00 -0.01 0.00 0.00 33.50 31.54 1i1s n PRO 92 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 1i1s n GLU 93 N -2.20 0.04 -0.09 -0.52 1.02 -1.26 -4.87 120.64 112.76 1i1s n GLU 93 Ca 0.05 -1.11 -0.13 0.00 -0.02 0.00 0.00 57.16 55.95 1i1s n GLU 93 Cb 0.57 -2.83 -0.05 0.00 -0.02 0.00 0.00 31.44 29.11 1i1s n GLU 93 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1i1s h LEU 94 N 18.04 0.63 -4.95 -4.62 7.12 0.19 -2.28 115.31 129.45 1i1s h LEU 94 Ca 0.10 -0.45 -0.62 0.00 0.13 0.00 0.00 57.88 57.04 1i1s h LEU 94 Cb 0.84 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 40.79 1i1s h LEU 94 CO 1.35 0.94 3.14 0.18 -0.13 0.00 0.00 178.44 183.92 1i1s n LEU 95 N -4.38 8.25 0.00 2.25 7.99 -0.35 -4.98 117.00 125.77 1i1s n LEU 95 Ca -0.04 -4.28 0.00 0.00 -0.01 0.00 0.00 56.01 51.68 1i1s n LEU 95 Cb 0.41 -1.52 0.00 0.00 -0.11 0.00 0.00 43.42 42.20 1i1s n LEU 95 CO 0.42 2.03 0.00 1.17 -1.51 0.00 0.00 177.39 179.50