#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i35 s ILE 2 N 0.00 3.94 0.33 0.00 1.01 -1.26 0.21 121.20 125.43 1i35 s ILE 2 Ca 0.00 1.30 0.10 0.00 0.00 0.00 0.00 60.65 62.05 1i35 s ILE 2 Cb 0.00 -3.84 -0.06 0.00 0.01 0.00 0.00 42.46 38.57 1i35 s ILE 2 CO 0.00 0.00 -0.08 -0.76 0.00 0.00 0.00 174.94 174.10 1i35 s LEU 3 N 2.26 2.80 -0.07 2.97 1.43 -0.33 -4.83 118.68 122.91 1i35 s LEU 3 Ca 0.60 -1.08 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 1i35 s LEU 3 Cb -0.29 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 1i35 s LEU 3 CO 0.25 -0.15 0.07 -0.13 0.23 0.00 0.00 176.35 176.62 1i35 s ARG 4 N -3.62 3.16 -0.07 1.70 3.00 -1.26 -1.79 118.95 120.07 1i35 s ARG 4 Ca 0.33 -0.34 0.04 0.00 0.00 0.00 0.00 55.73 55.75 1i35 s ARG 4 Cb -0.00 -2.94 0.00 0.00 0.00 0.00 0.00 34.95 32.01 1i35 s ARG 4 CO 0.17 0.71 -0.19 -0.06 0.00 0.00 0.00 175.30 175.93 1i35 s PHE 5 N -1.03 2.01 -0.11 -0.53 0.40 0.75 -0.56 117.98 118.91 1i35 s PHE 5 Ca 0.17 -0.73 0.03 0.00 -0.60 0.00 0.00 56.93 55.80 1i35 s PHE 5 Cb -0.12 -1.37 -0.00 0.00 0.51 0.00 0.00 43.02 42.04 1i35 s PHE 5 CO 0.07 -0.30 -0.22 0.42 0.70 0.00 0.00 175.22 175.89 1i35 s ILE 6 N 0.33 2.27 0.02 0.64 -1.09 0.36 0.63 121.20 124.36 1i35 s ILE 6 Ca -0.13 -0.94 0.01 0.00 -2.23 0.00 0.00 60.65 57.36 1i35 s ILE 6 Cb -0.15 -1.89 -0.02 0.00 -1.58 0.00 0.00 42.46 38.82 1i35 s ILE 6 CO 0.05 0.55 -0.05 0.00 -1.23 0.00 0.00 174.94 174.26 1i35 s ALA 7 N 0.37 0.38 0.00 9.38 0.00 -1.05 0.20 121.76 131.04 1i35 s ALA 7 Ca -0.17 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1i35 s ALA 7 Cb -0.17 0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1i35 s ALA 7 CO 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 175.76 175.82 1i35 h ASN 9 N 0.00 -0.48 0.00 0.00 -1.24 -1.95 -3.30 115.58 108.61 1i35 h ASN 9 Ca 0.00 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 56.93 1i35 h ASN 9 Cb 0.00 0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.17 1i35 h ASN 9 CO 0.00 -0.05 0.00 0.61 -1.29 0.00 0.00 177.43 176.70 1i35 n GLY 10 N 0.01 0.00 0.00 1.57 0.00 -0.56 -4.83 105.19 101.39 1i35 n GLY 10 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1i35 n GLY 10 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i35 n GLN 11 N 0.00 0.00 -3.99 1.61 1.13 -1.26 -3.19 117.38 111.67 1i35 n GLN 11 Ca 0.00 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.98 1i35 n GLN 11 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.26 1i35 n GLN 11 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1i35 s THR 12 N 0.00 0.17 -0.04 5.09 -4.23 -1.21 -2.51 115.64 112.92 1i35 s THR 12 Ca 0.00 -1.54 0.01 0.00 -1.18 0.00 0.00 61.69 58.98 1i35 s THR 12 Cb 0.00 -1.50 0.02 0.00 1.34 0.00 0.00 72.50 72.37 1i35 s THR 12 CO 0.00 -0.79 -0.03 -0.60 -0.54 0.00 0.00 174.62 172.66 1i35 s ARG 13 N -3.91 0.64 -0.24 3.99 3.00 0.21 -4.87 118.95 117.78 1i35 s ARG 13 Ca 0.08 -0.05 -0.06 0.00 -1.00 0.00 0.00 55.73 54.70 1i35 s ARG 13 Cb 0.06 -0.70 -0.02 0.00 0.00 0.00 0.00 34.95 34.30 1i35 s ARG 13 CO -0.09 -0.08 0.01 0.00 0.00 0.00 0.00 175.30 175.14 1i35 s ALA 14 N 0.88 2.98 0.02 6.12 0.00 -1.26 -0.18 121.76 130.33 1i35 s ALA 14 Ca -0.11 -1.17 0.06 0.00 0.00 0.00 0.00 51.96 50.74 1i35 s ALA 14 Cb -0.14 -1.90 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 1i35 s ALA 14 CO -0.00 -0.48 -0.17 0.14 0.00 0.00 0.00 175.76 175.25 1i35 s VAL 15 N 1.54 1.34 -0.87 0.00 -7.23 -0.74 -4.87 120.40 109.57 1i35 s VAL 15 Ca 0.06 -0.95 -0.26 0.00 -1.81 0.00 0.00 61.98 59.02 1i35 s VAL 15 Cb -0.15 -1.16 -0.16 0.00 0.56 0.00 0.00 36.38 35.47 1i35 s VAL 15 CO 0.00 0.19 2.32 -1.10 -0.31 0.00 0.00 175.10 176.21 1i35 s GLN 16 N -0.88 1.51 0.06 4.82 -0.21 -1.26 -1.19 119.66 122.52 1i35 s GLN 16 Ca 0.05 0.22 -0.31 0.00 0.02 0.00 0.00 55.36 55.35 1i35 s GLN 16 Cb -0.08 -4.84 -0.07 0.00 1.00 0.00 0.00 33.01 29.02 1i35 s GLN 16 CO 0.01 -4.70 1.43 -1.12 -2.12 0.00 0.00 175.29 168.79 1i35 s SER 17 N 10.18 6.80 0.13 5.90 0.01 0.57 -4.75 113.70 132.55 1i35 s SER 17 Ca 0.89 2.25 -0.15 0.00 1.31 0.00 0.00 55.95 60.26 1i35 s SER 17 Cb -0.11 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.58 1i35 s SER 17 CO 0.10 -0.72 0.38 0.00 0.41 0.00 0.00 173.24 173.42 1i35 s ARG 18 N 1.91 1.09 0.00 12.44 1.04 -1.26 -0.99 118.95 133.18 1i35 s ARG 18 Ca 0.66 -0.80 0.00 0.00 -1.04 0.00 0.00 55.73 54.55 1i35 s ARG 18 Cb -0.35 0.45 0.00 0.00 -2.04 0.00 0.00 34.95 33.02 1i35 s ARG 18 CO 0.29 -0.42 0.00 0.41 -0.04 0.00 0.00 175.30 175.54 1i35 n GLY 19 N -0.22 0.00 1.91 3.88 0.00 -1.26 -4.72 105.19 104.78 1i35 n GLY 19 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1i35 n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i35 n ASP 20 N 0.00 -8.51 -0.03 1.61 5.68 -1.26 -4.85 116.55 109.19 1i35 n ASP 20 Ca 0.00 1.36 -0.16 0.00 -0.50 0.00 0.00 54.79 55.49 1i35 n ASP 20 Cb 0.00 -4.83 -0.14 0.00 -1.14 0.00 0.00 41.12 35.01 1i35 n ASP 20 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1i35 n TYR 21 N 0.69 0.91 -0.24 2.11 4.19 -1.25 -4.20 117.16 119.36 1i35 n TYR 21 Ca 0.00 0.24 -0.00 0.00 3.31 0.00 0.00 57.90 61.44 1i35 n TYR 21 Cb 0.00 -1.13 0.12 0.00 0.49 0.00 0.00 39.34 38.81 1i35 n TYR 21 CO 0.00 0.00 0.00 0.37 0.91 0.00 0.00 176.86 178.14 1i35 h GLN 22 N 0.04 0.65 -0.11 2.98 5.75 -1.90 0.49 115.11 123.00 1i35 h GLN 22 Ca -0.42 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.03 1i35 h GLN 22 Cb 2.03 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 30.43 1i35 h GLN 22 CO 0.06 0.43 0.02 0.87 -2.65 0.00 0.00 178.83 177.56 1i35 h LYS 23 N 0.67 0.18 -0.58 1.69 1.57 -1.92 2.31 116.57 120.50 1i35 h LYS 23 Ca 0.32 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1i35 h LYS 23 Cb 0.26 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1i35 h LYS 23 CO -0.22 0.37 0.34 0.00 -0.57 0.00 0.00 179.45 179.38 1i35 h THR 24 N -0.04 1.17 -0.20 -0.16 1.03 -1.64 -0.81 112.91 112.27 1i35 h THR 24 Ca 0.03 -0.40 -0.06 0.00 -0.01 0.00 0.00 66.41 65.97 1i35 h THR 24 Cb 0.28 0.40 -0.00 0.00 -1.07 0.00 0.00 68.15 67.75 1i35 h THR 24 CO 0.00 0.18 -0.12 0.25 -0.01 0.00 0.00 175.52 175.82 1i35 h LEU 25 N 0.78 0.45 -0.02 0.00 7.12 0.13 -1.91 115.31 121.85 1i35 h LEU 25 Ca 0.21 -0.43 0.02 0.00 0.13 0.00 0.00 57.88 57.80 1i35 h LEU 25 Cb -0.01 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 39.97 1i35 h LEU 25 CO -0.04 0.79 -0.09 0.00 -0.13 0.00 0.00 178.44 178.97 1i35 h ALA 26 N 0.68 -0.08 -0.06 1.25 0.00 0.42 -2.34 119.26 119.13 1i35 h ALA 26 Ca 0.04 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1i35 h ALA 26 Cb 0.63 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1i35 h ALA 26 CO 0.03 -0.58 -0.50 0.82 0.00 0.00 0.00 179.25 179.03 1i35 h ILE 27 N -0.15 1.35 -0.16 0.00 2.04 -1.24 -2.86 117.51 116.50 1i35 h ILE 27 Ca 0.04 -1.73 0.05 0.00 1.00 0.00 0.00 64.86 64.22 1i35 h ILE 27 Cb 0.20 1.86 -0.06 0.00 -0.74 0.00 0.00 36.82 38.09 1i35 h ILE 27 CO -0.11 0.51 -0.19 0.00 0.00 0.00 0.00 178.15 178.36 1i35 h ALA 28 N 1.36 -0.10 -0.33 1.87 0.00 -0.82 -2.11 119.26 119.13 1i35 h ALA 28 Ca 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1i35 h ALA 28 Cb 0.93 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1i35 h ALA 28 CO 0.07 -0.63 -0.10 -0.07 0.00 0.00 0.00 179.25 178.52 1i35 h LEU 29 N -0.22 0.54 -0.30 0.00 -0.00 -1.41 0.15 115.31 114.07 1i35 h LEU 29 Ca 0.11 -0.14 0.02 0.00 -0.00 0.00 0.00 57.88 57.87 1i35 h LEU 29 Cb 0.39 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.88 1i35 h LEU 29 CO -0.29 0.69 0.15 0.50 -0.00 0.00 0.00 178.44 179.48 1i35 h LYS 30 N 0.52 0.30 0.04 1.13 1.63 -1.16 -1.51 116.57 117.53 1i35 h LYS 30 Ca 0.10 -0.02 -0.25 0.00 -0.85 0.00 0.00 60.65 59.63 1i35 h LYS 30 Cb 0.49 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 32.06 1i35 h LYS 30 CO 0.03 0.20 -1.05 0.87 -3.45 0.00 0.00 179.45 176.05 1i35 h LYS 31 N 0.31 0.45 0.11 1.90 1.57 -1.42 -3.41 116.57 116.09 1i35 h LYS 31 Ca 0.12 -0.54 -0.01 0.00 -1.87 0.00 0.00 60.65 58.35 1i35 h LYS 31 Cb 0.04 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1i35 h LYS 31 CO -0.08 1.19 -0.05 0.35 -0.57 0.00 0.00 179.45 180.29 1i35 h PHE 32 N 0.23 -0.13 0.00 -1.35 3.04 -0.28 -3.46 116.94 114.99 1i35 h PHE 32 Ca -0.11 -0.00 -0.15 0.00 3.98 0.00 0.00 57.97 61.69 1i35 h PHE 32 Cb 1.71 0.04 -0.02 0.00 2.56 0.00 0.00 35.95 40.24 1i35 h PHE 32 CO 0.07 -0.08 -1.50 0.43 -2.02 0.00 0.00 178.31 175.21 1i35 n SER 33 N -3.33 1.09 0.00 0.41 7.64 -1.02 -4.92 113.62 113.49 1i35 n SER 33 Ca -0.02 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1i35 n SER 33 Cb 0.06 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1i35 n SER 33 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1i35 n LEU 34 N -3.29 0.00 -4.03 -3.43 4.32 -0.61 -5.05 117.00 104.91 1i35 n LEU 34 Ca -0.17 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.74 1i35 n LEU 34 Cb 0.63 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.33 1i35 n LEU 34 CO 0.02 0.00 -0.32 -1.61 -1.22 0.00 0.00 177.39 174.26 1i35 s GLU 35 N 1.79 0.58 -0.63 3.23 2.02 -1.26 -3.38 118.70 121.05 1i35 s GLU 35 Ca 0.00 -1.04 -0.11 0.00 0.02 0.00 0.00 54.97 53.84 1i35 s GLU 35 Cb 0.00 0.21 0.01 0.00 0.10 0.00 0.00 34.13 34.45 1i35 s GLU 35 CO 0.00 -0.12 0.65 -0.25 0.02 0.00 0.00 175.26 175.56 1i35 n ASP 36 N 0.42 -6.84 0.27 -0.19 9.92 -1.26 -4.87 116.55 114.00 1i35 n ASP 36 Ca -0.16 -0.12 0.14 0.00 -0.53 0.00 0.00 54.79 54.12 1i35 n ASP 36 Cb 0.60 -3.96 0.76 0.00 -0.64 0.00 0.00 41.12 37.87 1i35 n ASP 36 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i35 h ALA 37 N 1.31 1.22 -0.87 2.24 0.00 -1.88 -3.34 119.26 117.94 1i35 h ALA 37 Ca -0.23 -0.09 0.25 0.00 0.00 0.00 0.00 54.91 54.84 1i35 h ALA 37 Cb 1.15 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1i35 h ALA 37 CO 0.28 0.13 0.99 0.77 0.00 0.00 0.00 179.25 181.41 1i35 h SER 38 N 0.00 0.00 -3.04 0.00 0.02 -1.90 -0.23 113.55 108.41 1i35 h SER 38 Ca -0.00 0.00 -0.79 0.00 -0.84 0.00 0.00 61.79 60.16 1i35 h SER 38 Cb 0.34 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.62 1i35 h SER 38 CO 0.01 0.00 0.79 0.29 -1.14 0.00 0.00 176.83 176.78 1i35 n LYS 39 N -3.40 3.72 -3.63 3.45 5.02 -1.26 -4.88 118.16 117.19 1i35 n LYS 39 Ca 0.19 -4.31 -0.10 0.00 -2.02 0.00 0.00 58.31 52.06 1i35 n LYS 39 Cb 1.27 -2.65 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 1i35 n LYS 39 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1i35 s PHE 40 N -1.00 -0.26 0.11 2.13 0.40 -0.10 -3.01 117.98 116.25 1i35 s PHE 40 Ca 0.34 -0.05 0.02 0.00 -0.60 0.00 0.00 56.93 56.63 1i35 s PHE 40 Cb -0.04 0.42 -0.04 0.00 0.51 0.00 0.00 43.02 43.86 1i35 s PHE 40 CO -0.02 -0.86 -0.05 0.42 0.70 0.00 0.00 175.22 175.41 1i35 s ILE 41 N -3.82 0.68 0.11 0.64 1.09 0.69 -4.34 121.20 116.25 1i35 s ILE 41 Ca 0.05 -1.94 0.09 0.00 -1.10 0.00 0.00 60.65 57.75 1i35 s ILE 41 Cb -0.00 -1.76 -0.04 0.00 -1.06 0.00 0.00 42.46 39.60 1i35 s ILE 41 CO -0.07 -0.81 -0.22 -0.69 -0.10 0.00 0.00 174.94 173.05 1i35 s VAL 42 N -3.64 1.85 0.15 2.92 1.01 -1.10 0.27 120.40 121.86 1i35 s VAL 42 Ca 0.14 -1.58 -0.07 0.00 0.00 0.00 0.00 61.98 60.46 1i35 s VAL 42 Cb 0.05 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 1i35 s VAL 42 CO -0.03 -0.01 0.22 0.00 0.00 0.00 0.00 175.10 175.28 1i35 s VAL 44 N -3.97 4.13 -0.65 0.00 1.01 -0.44 0.14 120.40 120.62 1i35 s VAL 44 Ca 0.17 -0.26 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 1i35 s VAL 44 Cb 0.04 -2.85 0.17 0.00 0.00 0.00 0.00 36.38 33.74 1i35 s VAL 44 CO -0.01 0.46 0.55 -0.44 0.00 0.00 0.00 175.10 175.65 1i35 s SER 45 N 0.64 6.05 -0.21 3.32 0.01 -1.26 -0.87 113.70 121.38 1i35 s SER 45 Ca -0.00 -2.42 0.01 0.00 1.31 0.00 0.00 55.95 54.85 1i35 s SER 45 Cb -0.14 -2.07 0.04 0.00 0.21 0.00 0.00 66.02 64.06 1i35 s SER 45 CO 0.02 -0.59 -0.11 -1.10 0.41 0.00 0.00 173.24 171.87 1i35 s GLN 46 N 0.60 2.07 2.51 12.44 -1.52 -1.26 -4.96 119.66 129.54 1i35 s GLN 46 Ca 0.13 -0.90 0.00 0.00 -1.95 0.00 0.00 55.36 52.64 1i35 s GLN 46 Cb -0.19 -2.47 0.00 0.00 -0.22 0.00 0.00 33.01 30.12 1i35 s GLN 46 CO -0.04 -0.44 0.00 -1.13 -0.25 0.00 0.00 175.29 173.43 1i35 n SER 47 N 4.66 -1.94 -0.08 5.90 3.41 -1.26 -3.42 113.62 120.89 1i35 n SER 47 Ca -0.15 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.41 1i35 n SER 47 Cb 0.46 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.55 1i35 n SER 47 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1i35 h SER 48 N 1.29 0.71 -3.33 4.04 4.64 -2.02 -3.40 113.55 115.48 1i35 h SER 48 Ca 0.00 -0.22 -0.56 0.00 -0.47 0.00 0.00 61.79 60.54 1i35 h SER 48 Cb 0.00 -0.19 -0.08 0.00 -0.31 0.00 0.00 62.40 61.82 1i35 h SER 48 CO 0.00 0.87 0.91 -0.13 -0.87 0.00 0.00 176.83 177.61 1i35 s ARG 49 N -4.75 3.55 0.11 4.77 1.81 -1.22 -5.01 118.95 118.20 1i35 s ARG 49 Ca -0.09 0.27 -0.22 0.00 -1.72 0.00 0.00 55.73 53.97 1i35 s ARG 49 Cb 0.14 -3.99 -0.07 0.00 -0.45 0.00 0.00 34.95 30.58 1i35 s ARG 49 CO 0.82 -1.58 0.67 -1.50 -0.68 0.00 0.00 175.30 173.03 1i35 s ILE 50 N 4.71 4.59 0.06 1.52 2.07 -1.26 -4.09 121.20 128.79 1i35 s ILE 50 Ca 0.43 1.45 -0.02 0.00 -1.41 0.00 0.00 60.65 61.10 1i35 s ILE 50 Cb -0.08 -4.02 -0.04 0.00 0.13 0.00 0.00 42.46 38.45 1i35 s ILE 50 CO 0.26 0.52 0.24 -0.75 -1.91 0.00 0.00 174.94 173.31 1i35 s LYS 51 N -1.00 3.49 0.16 3.50 2.20 -0.05 -4.98 119.74 123.06 1i35 s LYS 51 Ca 0.33 -0.32 -0.10 0.00 -0.36 0.00 0.00 55.97 55.51 1i35 s LYS 51 Cb -0.21 -3.02 -0.07 0.00 -1.51 0.00 0.00 37.83 33.02 1i35 s LYS 51 CO 0.22 0.60 0.49 -1.17 -0.36 0.00 0.00 175.35 175.14 1i35 s LEU 52 N -2.36 4.27 -0.17 5.43 2.96 -1.26 -1.33 118.68 126.21 1i35 s LEU 52 Ca 0.34 0.89 -0.02 0.00 -0.22 0.00 0.00 54.13 55.12 1i35 s LEU 52 Cb -0.13 -3.37 0.05 0.00 0.50 0.00 0.00 46.19 43.24 1i35 s LEU 52 CO 0.25 0.04 0.02 -0.63 -1.32 0.00 0.00 176.35 174.71 1i35 s ILE 53 N -1.61 0.54 0.00 6.68 1.01 0.19 -4.76 121.20 123.26 1i35 s ILE 53 Ca 0.41 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.63 1i35 s ILE 53 Cb -0.13 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.39 1i35 s ILE 53 CO 0.20 -0.09 0.00 0.35 0.00 0.00 0.00 174.94 175.41 1i35 n THR 54 N 5.05 0.00 0.00 2.92 -2.24 -1.26 -2.72 114.28 116.03 1i35 n THR 54 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1i35 n THR 54 Cb 0.48 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1i35 n THR 54 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1i35 n GLU 55 N 0.00 0.00 0.11 -0.78 0.28 -1.26 -4.71 120.64 114.28 1i35 n GLU 55 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.98 1i35 n GLU 55 Cb 0.00 0.00 0.04 0.00 1.43 0.00 0.00 31.44 32.91 1i35 n GLU 55 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 1i35 h GLU 56 N 0.00 0.00 0.00 3.44 4.11 -1.99 -3.13 114.58 117.01 1i35 h GLU 56 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 1i35 h GLU 56 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1i35 h GLU 56 CO 0.00 0.71 -0.51 0.93 0.07 0.00 0.00 179.01 180.21 1i35 h GLU 57 N 0.00 0.00 -0.22 1.06 5.08 -2.00 -3.34 114.58 115.16 1i35 h GLU 57 Ca -0.01 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1i35 h GLU 57 Cb 1.42 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.62 1i35 h GLU 57 CO 0.09 0.51 -0.12 0.35 -1.00 0.00 0.00 179.01 178.84 1i35 h PHE 58 N 0.00 -0.30 0.15 4.33 3.57 -1.84 1.04 116.94 123.89 1i35 h PHE 58 Ca -0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1i35 h PHE 58 Cb 0.93 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1i35 h PHE 58 CO 0.00 -0.19 -0.07 -0.22 -2.23 0.00 0.00 178.31 175.60 1i35 h LYS 59 N -0.11 -0.20 -0.21 1.11 3.11 -1.76 -1.81 116.57 116.71 1i35 h LYS 59 Ca 0.12 0.01 -0.13 0.00 -2.81 0.00 0.00 60.65 57.84 1i35 h LYS 59 Cb 0.29 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 1i35 h LYS 59 CO -0.29 0.14 -0.39 1.96 -2.81 0.00 0.00 179.45 178.06 1i35 h GLN 60 N -0.55 0.63 -0.07 1.90 1.08 -1.73 -2.75 115.11 113.62 1i35 h GLN 60 Ca -0.02 -0.40 -0.01 0.00 -1.45 0.00 0.00 58.65 56.77 1i35 h GLN 60 Cb 0.42 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1i35 h GLN 60 CO 0.03 1.02 0.02 0.82 -0.95 0.00 0.00 178.83 179.78 1i35 h ILE 61 N 0.32 1.17 -0.09 2.54 1.08 0.11 1.29 117.51 123.92 1i35 h ILE 61 Ca 0.01 -0.50 -0.02 0.00 -0.39 0.00 0.00 64.86 63.96 1i35 h ILE 61 Cb 0.99 1.36 -0.00 0.00 -3.07 0.00 0.00 36.82 36.10 1i35 h ILE 61 CO 0.09 0.14 -0.01 0.00 -0.69 0.00 0.00 178.15 177.68 1i35 h PHE 63 N -0.13 0.00 -4.35 0.00 -1.00 -1.55 -3.49 116.94 106.42 1i35 h PHE 63 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1i35 h PHE 63 Cb 0.38 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.94 1i35 h PHE 63 CO 0.04 0.80 -0.43 -1.71 -1.61 0.00 0.00 178.31 175.40 1i35 n ASN 64 N -3.19 -5.65 0.00 2.17 2.85 0.44 -4.28 115.26 107.61 1i35 n ASN 64 Ca -0.04 0.56 0.00 0.00 -0.11 0.00 0.00 54.58 54.99 1i35 n ASN 64 Cb 0.89 -3.67 0.00 0.00 1.24 0.00 0.00 39.78 38.24 1i35 n ASN 64 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1i35 n SER 65 N -0.03 0.00 0.00 1.20 7.64 -1.19 -4.44 113.62 116.80 1i35 n SER 65 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1i35 n SER 65 Cb 0.16 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1i35 n SER 65 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1i35 n SER 66 N 2.03 0.00 -1.50 6.43 2.88 -1.26 -4.96 113.62 117.24 1i35 n SER 66 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1i35 n SER 66 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1i35 n SER 66 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1i35 n SER 67 N 0.00 -6.99 -3.64 -3.46 3.41 -1.26 -4.95 113.62 96.73 1i35 n SER 67 Ca 0.00 1.48 -0.24 0.00 -0.26 0.00 0.00 58.87 59.85 1i35 n SER 67 Cb 0.00 -4.50 0.16 0.00 -0.26 0.00 0.00 64.21 59.61 1i35 n SER 67 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1i35 n PRO 68 N -2.31 -0.95 0.00 4.33 -0.04 -1.26 -4.91 135.00 129.86 1i35 n PRO 68 Ca 0.00 -1.78 0.00 0.00 -0.04 0.00 0.00 63.50 61.68 1i35 n PRO 68 Cb 0.35 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 1i35 n PRO 68 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1i35 n GLU 69 N -3.25 0.00 0.00 0.54 -0.58 -1.26 -5.06 120.64 111.03 1i35 n GLU 69 Ca 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 1i35 n GLU 69 Cb 0.48 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.35 1i35 n GLU 69 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1i35 n ARG 70 N 1.22 0.00 0.00 3.49 5.12 -1.26 -5.03 116.66 120.20 1i35 n ARG 70 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1i35 n ARG 70 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1i35 n ARG 70 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1i35 n ASP 71 N -3.23 0.00 -0.37 0.55 5.75 -1.26 -5.12 116.55 112.88 1i35 n ASP 71 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.74 1i35 n ASP 71 Cb 0.00 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1i35 n ASP 71 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1i35 n ARG 72 N -0.68 0.00 -2.16 0.11 -4.01 -1.26 -4.85 116.66 103.82 1i35 n ARG 72 Ca 0.00 0.00 -0.18 0.00 -1.04 0.00 0.00 57.85 56.63 1i35 n ARG 72 Cb 0.00 -0.09 0.09 0.00 -3.04 0.00 0.00 32.46 29.42 1i35 n ARG 72 CO 0.00 0.00 0.00 1.47 -3.04 0.00 0.00 177.63 176.06 1i35 n LEU 73 N 0.20 0.00 -4.15 2.89 -0.00 0.27 -4.43 117.00 111.79 1i35 n LEU 73 Ca 0.01 -1.66 -0.21 0.00 -0.00 0.00 0.00 56.01 54.15 1i35 n LEU 73 Cb 0.03 -0.49 -0.14 0.00 -0.00 0.00 0.00 43.42 42.83 1i35 n LEU 73 CO 0.05 -0.86 -0.47 -0.63 -0.00 0.00 0.00 177.39 175.47 1i35 s ILE 74 N -2.31 1.16 -0.13 1.47 1.09 0.37 0.13 121.20 122.98 1i35 s ILE 74 Ca 0.51 -0.94 -0.05 0.00 -1.10 0.00 0.00 60.65 59.06 1i35 s ILE 74 Cb -0.03 -1.03 -0.04 0.00 -1.06 0.00 0.00 42.46 40.30 1i35 s ILE 74 CO 0.34 0.08 0.06 -0.63 -0.10 0.00 0.00 174.94 174.69 1i35 s ILE 75 N -0.75 4.80 0.05 2.92 -1.09 0.53 -0.18 121.20 127.47 1i35 s ILE 75 Ca 0.03 -0.05 0.04 0.00 -2.23 0.00 0.00 60.65 58.44 1i35 s ILE 75 Cb -0.07 -3.10 -0.02 0.00 -1.58 0.00 0.00 42.46 37.69 1i35 s ILE 75 CO 0.01 0.55 -0.12 0.68 -1.23 0.00 0.00 174.94 174.83 1i35 s VAL 76 N -0.39 0.94 -1.06 2.92 -7.23 0.14 -2.70 120.40 113.02 1i35 s VAL 76 Ca 0.09 -1.04 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 1i35 s VAL 76 Cb -0.12 -0.89 0.00 0.00 0.56 0.00 0.00 36.38 35.93 1i35 s VAL 76 CO 0.02 -0.13 0.34 -0.81 -0.31 0.00 0.00 175.10 174.21 1i35 n PRO 77 N 1.71 0.64 0.00 4.82 -0.04 -1.26 0.25 135.00 141.13 1i35 n PRO 77 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1i35 n PRO 77 Cb 0.55 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 1i35 n PRO 77 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1i35 n LYS 78 N 0.14 0.00 0.17 0.54 4.81 -1.16 -3.47 118.16 119.18 1i35 n LYS 78 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 1i35 n LYS 78 Cb 0.15 -3.02 0.28 0.00 0.02 0.00 0.00 35.03 32.47 1i35 n LYS 78 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1i35 h GLU 79 N 0.00 0.00 0.00 1.64 4.57 -1.88 -3.45 114.58 115.47 1i35 h GLU 79 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1i35 h GLU 79 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1i35 h GLU 79 CO 0.00 0.45 0.00 1.17 -1.18 0.00 0.00 179.01 179.45 1i35 n LYS 80 N -3.61 0.00 0.00 1.92 3.00 -1.26 -5.19 118.16 113.02 1i35 n LYS 80 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1i35 n LYS 80 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.57 1i35 n LYS 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1i35 n PRO 81 N 0.00 1.14 -3.97 1.64 -0.04 -1.26 -4.61 135.00 127.91 1i35 n PRO 81 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 1i35 n PRO 81 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1i35 n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i35 n PRO 83 N -4.59 0.00 0.00 0.00 -0.02 -1.26 -5.04 135.00 124.09 1i35 n PRO 83 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1i35 n PRO 83 Cb 0.62 -0.47 0.00 0.00 -0.02 0.00 0.00 33.50 33.63 1i35 n PRO 83 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1i35 n SER 84 N -0.20 0.00 0.10 2.55 3.41 -1.26 -5.02 113.62 113.21 1i35 n SER 84 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1i35 n SER 84 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1i35 n SER 84 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1i35 h PHE 85 N 0.00 -0.60 -0.23 7.33 -1.00 -1.96 -1.36 116.94 119.12 1i35 h PHE 85 Ca 0.00 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 1i35 h PHE 85 Cb 0.00 0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 1i35 h PHE 85 CO 0.00 -0.32 0.08 1.05 -1.61 0.00 0.00 178.31 177.51 1i35 h GLU 86 N -0.41 0.34 -0.30 1.51 9.09 -1.88 -0.42 114.58 122.51 1i35 h GLU 86 Ca 0.03 -0.07 0.09 0.00 0.05 0.00 0.00 59.36 59.46 1i35 h GLU 86 Cb 0.44 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.48 1i35 h GLU 86 CO -0.14 0.40 0.23 0.22 0.05 0.00 0.00 179.01 179.78 1i35 h ASP 87 N 0.21 0.00 0.00 3.06 3.58 -1.90 -3.35 116.42 118.01 1i35 h ASP 87 Ca 0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1i35 h ASP 87 Cb 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1i35 h ASP 87 CO -0.00 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.54 1i35 n LEU 88 N -4.31 0.48 0.00 2.28 4.32 -0.53 -4.64 117.00 114.59 1i35 n LEU 88 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 1i35 n LEU 88 Cb 0.39 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 1i35 n LEU 88 CO 0.34 0.00 0.00 -1.14 -1.22 0.00 0.00 177.39 175.37 1i35 n ARG 89 N -0.56 0.00 -0.03 3.23 3.00 -0.20 -2.43 116.66 119.67 1i35 n ARG 89 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.81 1i35 n ARG 89 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 32.46 32.64 1i35 n ARG 89 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 1i35 h ARG 90 N 0.00 0.61 0.00 -0.14 -0.00 -1.93 -3.41 114.38 109.50 1i35 h ARG 90 Ca 0.00 -0.21 -0.08 0.00 -0.00 0.00 0.00 59.98 59.70 1i35 h ARG 90 Cb 0.00 -0.05 -0.10 0.00 -0.00 0.00 0.00 29.97 29.83 1i35 h ARG 90 CO 0.00 0.75 0.19 -1.13 -0.00 0.00 0.00 179.97 179.78 1i35 n SER 91 N -4.16 -1.03 0.00 0.08 3.41 -1.24 -4.93 113.62 105.75 1i35 n SER 91 Ca 0.01 -1.55 0.00 0.00 -0.26 0.00 0.00 58.87 57.06 1i35 n SER 91 Cb 0.37 1.02 0.00 0.00 -0.26 0.00 0.00 64.21 65.34 1i35 n SER 91 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1i35 n TRP 92 N 0.19 0.00 0.00 7.33 7.02 -1.02 -1.10 117.44 129.85 1i35 n TRP 92 Ca -0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.33 1i35 n TRP 92 Cb 0.72 -0.44 0.00 0.00 -2.42 0.00 0.00 31.31 29.18 1i35 n TRP 92 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1i35 n GLU 93 N -2.00 0.00 0.00 -0.99 0.00 -1.26 -4.67 120.64 111.72 1i35 n GLU 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1i35 n GLU 93 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1i35 n GLU 93 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.13 178.64 1i35 n ILE 94 N 0.00 0.00 -0.80 6.31 0.00 -1.21 -4.99 119.36 118.67 1i35 n ILE 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 1i35 n ILE 94 Cb 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 39.64 39.06 1i35 n ILE 94 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71