#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 4.71 0.17 0.00 1.09 -1.26 -1.28 121.20 124.63 1i35 s ILE 2 Ca 0.00 2.02 0.03 0.00 -1.10 0.00 0.00 60.65 61.61 1i35 s ILE 2 Cb 0.00 -4.31 -0.05 0.00 -1.06 0.00 0.00 42.46 37.05 1i35 s ILE 2 CO 0.00 -0.13 -0.04 -0.76 -0.10 0.00 0.00 174.94 173.90 1i35 s LEU 3 N 2.89 2.32 -0.02 2.97 1.43 -0.80 -4.69 118.68 122.79 1i35 s LEU 3 Ca 0.45 -1.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 1i35 s LEU 3 Cb -0.16 -0.22 -0.04 0.00 0.03 0.00 0.00 46.19 45.81 1i35 s LEU 3 CO 0.09 -0.46 0.02 -0.13 0.23 0.00 0.00 176.35 176.11 1i35 s ARG 4 N -3.83 2.91 -0.02 1.70 0.52 0.11 -0.71 118.95 119.63 1i35 s ARG 4 Ca 0.21 -0.53 0.01 0.00 -0.52 0.00 0.00 55.73 54.90 1i35 s ARG 4 Cb 0.05 -2.75 0.01 0.00 0.52 0.00 0.00 34.95 32.77 1i35 s ARG 4 CO 0.03 0.65 -0.02 -0.59 0.02 0.00 0.00 175.30 175.39 1i35 s PHE 5 N -1.07 0.35 -0.09 -0.53 -0.71 0.98 0.21 117.98 117.11 1i35 s PHE 5 Ca 0.19 -0.05 0.03 0.00 -1.04 0.00 0.00 56.93 56.07 1i35 s PHE 5 Cb -0.12 -0.32 0.00 0.00 -1.21 0.00 0.00 43.02 41.38 1i35 s PHE 5 CO 0.09 -0.07 -0.21 0.42 -1.34 0.00 0.00 175.22 174.12 1i35 s ILE 6 N 0.41 1.84 0.04 -4.49 1.09 0.64 -1.22 121.20 119.51 1i35 s ILE 6 Ca -0.04 -0.89 -0.01 0.00 -1.10 0.00 0.00 60.65 58.61 1i35 s ILE 6 Cb -0.07 -1.61 -0.03 0.00 -1.06 0.00 0.00 42.46 39.69 1i35 s ILE 6 CO -0.01 0.51 -0.03 0.00 -0.10 0.00 0.00 174.94 175.32 1i35 s ALA 7 N 0.46 0.34 0.00 9.38 0.00 0.80 0.12 121.76 132.86 1i35 s ALA 7 Ca -0.17 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1i35 s ALA 7 Cb -0.17 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1i35 s ALA 7 CO 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 175.76 175.54 1i35 h ASN 9 N 0.00 0.27 0.00 0.00 2.35 -1.91 -3.25 115.58 113.03 1i35 h ASN 9 Ca 0.00 -0.78 -0.01 0.00 -0.55 0.00 0.00 56.30 54.95 1i35 h ASN 9 Cb 0.00 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1i35 h ASN 9 CO 0.00 1.61 -0.02 0.61 -1.65 0.00 0.00 177.43 177.97 1i35 n GLY 10 N 1.70 -0.12 3.65 2.83 0.00 -1.24 0.22 105.19 112.24 1i35 n GLY 10 Ca -0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1i35 n GLY 10 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1i35 s GLN 11 N 0.00 4.07 -0.13 1.61 2.00 -0.40 -4.84 119.66 121.97 1i35 s GLN 11 Ca 0.00 2.23 0.02 0.00 -2.00 0.00 0.00 55.36 55.61 1i35 s GLN 11 Cb 0.00 -4.06 -0.00 0.00 0.80 0.00 0.00 33.01 29.75 1i35 s GLN 11 CO 0.00 -1.00 -0.19 0.95 -0.50 0.00 0.00 175.29 174.56 1i35 s THR 12 N 4.53 2.46 0.05 -0.34 -4.23 -1.26 -0.14 115.64 116.71 1i35 s THR 12 Ca 0.79 -0.86 -0.11 0.00 -1.18 0.00 0.00 61.69 60.33 1i35 s THR 12 Cb -0.35 -2.00 0.01 0.00 1.34 0.00 0.00 72.50 71.50 1i35 s THR 12 CO 0.33 0.54 0.24 -0.60 -0.54 0.00 0.00 174.62 174.59 1i35 s ARG 13 N 0.56 0.78 -0.16 3.99 3.00 -0.36 -5.03 118.95 121.74 1i35 s ARG 13 Ca -0.11 -0.65 0.00 0.00 -1.00 0.00 0.00 55.73 53.97 1i35 s ARG 13 Cb -0.16 0.33 0.03 0.00 0.00 0.00 0.00 34.95 35.14 1i35 s ARG 13 CO 0.04 -0.24 -0.12 0.00 0.00 0.00 0.00 175.30 174.97 1i35 s ALA 14 N -2.86 1.83 0.04 6.12 0.00 -1.26 -0.02 121.76 125.62 1i35 s ALA 14 Ca -0.03 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.06 1i35 s ALA 14 Cb 0.00 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 1i35 s ALA 14 CO -0.05 -0.51 -0.20 0.14 0.00 0.00 0.00 175.76 175.13 1i35 s VAL 15 N 1.49 1.63 -0.18 0.00 -7.23 0.12 -4.95 120.40 111.28 1i35 s VAL 15 Ca 0.03 -1.20 -0.10 0.00 -1.81 0.00 0.00 61.98 58.90 1i35 s VAL 15 Cb -0.14 -1.43 -0.05 0.00 0.56 0.00 0.00 36.38 35.33 1i35 s VAL 15 CO -0.10 0.18 0.16 -1.10 -0.31 0.00 0.00 175.10 173.94 1i35 s GLN 16 N -1.20 4.12 0.27 4.82 -0.21 -1.26 -1.91 119.66 124.30 1i35 s GLN 16 Ca 0.07 -0.16 -0.14 0.00 0.02 0.00 0.00 55.36 55.15 1i35 s GLN 16 Cb -0.09 -3.39 0.01 0.00 1.00 0.00 0.00 33.01 30.53 1i35 s GLN 16 CO 0.02 0.34 0.56 -1.12 -2.12 0.00 0.00 175.29 172.97 1i35 s SER 17 N 0.22 -0.05 0.00 5.90 0.01 -0.40 -4.90 113.70 114.47 1i35 s SER 17 Ca 0.10 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.46 1i35 s SER 17 Cb -0.11 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.76 1i35 s SER 17 CO -0.00 -1.25 0.00 0.54 0.41 0.00 0.00 173.24 172.94 1i35 n ARG 18 N -0.43 0.00 0.00 12.44 1.74 -1.26 -0.43 116.66 128.72 1i35 n ARG 18 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1i35 n ARG 18 Cb 0.61 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.05 1i35 n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i35 n GLY 19 N 4.08 0.08 1.15 -0.13 0.00 -1.26 -4.41 105.19 104.70 1i35 n GLY 19 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.28 0.00 0.00 1.61 5.75 -1.26 -5.04 116.55 117.88 1i35 n ASP 20 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1i35 n ASP 20 Cb 0.00 0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1i35 n ASP 20 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1i35 n TYR 21 N -2.08 0.00 -0.33 2.11 4.19 -1.25 -4.57 117.16 115.22 1i35 n TYR 21 Ca 0.00 0.00 -0.03 0.00 3.31 0.00 0.00 57.90 61.18 1i35 n TYR 21 Cb 0.00 0.00 0.09 0.00 0.49 0.00 0.00 39.34 39.92 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 0.00 1.19 -0.07 2.98 -0.00 -1.89 0.70 115.11 118.02 1i35 h GLN 22 Ca 0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.65 58.56 1i35 h GLN 22 Cb 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 27.48 27.21 1i35 h GLN 22 CO 0.00 0.79 -0.02 0.87 0.00 0.00 0.00 178.83 180.48 1i35 h LYS 23 N 1.22 0.13 -0.61 1.69 1.79 -1.94 1.06 116.57 119.91 1i35 h LYS 23 Ca 0.33 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.70 1i35 h LYS 23 Cb -0.13 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.48 1i35 h LYS 23 CO -0.07 0.46 0.18 1.15 -1.08 0.00 0.00 179.45 180.08 1i35 h THR 24 N -0.21 1.25 0.09 -0.16 2.02 -1.88 -1.74 112.91 112.29 1i35 h THR 24 Ca 0.02 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 1i35 h THR 24 Cb 0.41 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1i35 h THR 24 CO 0.01 0.33 -0.04 0.25 0.37 0.00 0.00 175.52 176.43 1i35 h LEU 25 N 0.88 -0.11 0.44 2.58 7.12 0.49 -1.61 115.31 125.10 1i35 h LEU 25 Ca 0.20 -0.40 -0.02 0.00 0.13 0.00 0.00 57.88 57.78 1i35 h LEU 25 Cb 0.31 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.48 1i35 h LEU 25 CO -0.00 0.38 -0.21 0.00 -0.13 0.00 0.00 178.44 178.47 1i35 h ALA 26 N 0.20 -0.59 -0.23 1.25 0.00 0.12 -2.69 119.26 117.32 1i35 h ALA 26 Ca -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1i35 h ALA 26 Cb 0.50 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1i35 h ALA 26 CO 0.02 -0.76 -0.04 0.82 0.00 0.00 0.00 179.25 179.30 1i35 h ILE 27 N -0.74 1.16 -0.22 0.00 2.04 -1.46 -2.03 117.51 116.27 1i35 h ILE 27 Ca -0.06 -0.67 0.06 0.00 1.00 0.00 0.00 64.86 65.19 1i35 h ILE 27 Cb 0.52 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 1i35 h ILE 27 CO 0.10 0.22 -0.18 0.00 0.00 0.00 0.00 178.15 178.29 1i35 h ALA 28 N 1.64 -0.03 -0.25 1.87 0.00 -1.10 -1.57 119.26 119.81 1i35 h ALA 28 Ca 0.07 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1i35 h ALA 28 Cb 0.29 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1i35 h ALA 28 CO 0.01 -0.60 -0.17 -0.07 0.00 0.00 0.00 179.25 178.42 1i35 h LEU 29 N -0.18 0.43 -0.30 0.00 -0.00 -1.16 0.54 115.31 114.65 1i35 h LEU 29 Ca 0.13 -0.12 0.03 0.00 -0.00 0.00 0.00 57.88 57.92 1i35 h LEU 29 Cb 0.37 -0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 40.89 1i35 h LEU 29 CO -0.33 0.62 0.11 0.07 -0.00 0.00 0.00 178.44 178.92 1i35 h LYS 30 N 0.40 0.25 0.06 1.13 2.10 -1.00 -0.54 116.57 118.97 1i35 h LYS 30 Ca 0.07 -0.01 -0.26 0.00 -2.00 0.00 0.00 60.65 58.45 1i35 h LYS 30 Cb 0.54 -0.06 0.01 0.00 -0.90 0.00 0.00 32.23 31.82 1i35 h LYS 30 CO 0.03 0.16 -1.09 1.57 -2.00 0.00 0.00 179.45 178.13 1i35 h LYS 31 N 0.25 0.42 0.09 0.07 -0.00 -1.39 -3.39 116.57 112.62 1i35 h LYS 31 Ca 0.13 -0.54 -0.00 0.00 -0.00 0.00 0.00 60.65 60.24 1i35 h LYS 31 Cb 0.09 0.17 0.00 0.00 -0.00 0.00 0.00 32.23 32.49 1i35 h LYS 31 CO -0.12 1.20 -0.04 0.35 -0.00 0.00 0.00 179.45 180.83 1i35 h PHE 32 N 0.20 -0.12 0.00 0.07 3.04 0.79 -3.46 116.94 117.46 1i35 h PHE 32 Ca -0.12 -0.00 -0.23 0.00 3.98 0.00 0.00 57.97 61.60 1i35 h PHE 32 Cb 1.76 0.04 -0.03 0.00 2.56 0.00 0.00 35.95 40.27 1i35 h PHE 32 CO 0.07 -0.07 -1.76 0.45 -2.02 0.00 0.00 178.31 174.98 1i35 n SER 33 N -3.31 1.00 0.00 0.41 2.88 -0.72 -5.02 113.62 108.86 1i35 n SER 33 Ca -0.02 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1i35 n SER 33 Cb 0.05 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1i35 n SER 33 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1i35 n LEU 34 N -3.64 0.00 -3.75 2.46 4.32 -0.29 -5.03 117.00 111.06 1i35 n LEU 34 Ca -0.27 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.58 1i35 n LEU 34 Cb 0.69 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.39 1i35 n LEU 34 CO 0.02 0.00 0.02 -1.61 -1.22 0.00 0.00 177.39 174.60 1i35 s GLU 35 N 4.57 0.51 -1.08 3.23 2.02 -1.25 -3.36 118.70 123.35 1i35 s GLU 35 Ca 0.00 0.23 -0.08 0.00 0.02 0.00 0.00 54.97 55.14 1i35 s GLU 35 Cb 0.00 0.24 -0.05 0.00 0.10 0.00 0.00 34.13 34.41 1i35 s GLU 35 CO 0.00 -0.10 0.90 -0.25 0.02 0.00 0.00 175.26 175.83 1i35 n ASP 36 N 2.27 -5.94 0.32 -0.19 9.92 -1.26 -4.79 116.55 116.88 1i35 n ASP 36 Ca -0.16 -0.76 0.20 0.00 -0.53 0.00 0.00 54.79 53.54 1i35 n ASP 36 Cb 0.57 -4.88 1.11 0.00 -0.64 0.00 0.00 41.12 37.27 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 0.17 1.19 -0.56 2.24 0.00 -1.62 -3.37 119.26 117.29 1i35 h ALA 37 Ca -0.62 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 54.46 1i35 h ALA 37 Cb 1.32 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1i35 h ALA 37 CO 0.45 -0.05 1.02 0.77 0.00 0.00 0.00 179.25 181.45 1i35 h SER 38 N 0.00 0.00 -0.37 0.00 0.02 -1.82 2.82 113.55 114.20 1i35 h SER 38 Ca 0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1i35 h SER 38 Cb 0.09 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1i35 h SER 38 CO -0.00 0.00 0.22 0.11 -1.14 0.00 0.00 176.83 176.02 1i35 h LYS 39 N 0.00 0.50 -6.31 3.45 1.57 -1.97 -3.44 116.57 110.36 1i35 h LYS 39 Ca 0.27 -0.05 -0.52 0.00 -1.87 0.00 0.00 60.65 58.48 1i35 h LYS 39 Cb 2.31 -0.10 0.24 0.00 0.08 0.00 0.00 32.23 34.76 1i35 h LYS 39 CO -0.00 0.38 -1.59 1.19 -0.57 0.00 0.00 179.45 178.85 1i35 n PHE 40 N -4.79 -2.83 -4.26 -1.35 3.01 0.94 -4.11 117.46 104.07 1i35 n PHE 40 Ca -0.00 0.21 -0.16 0.00 1.01 0.00 0.00 57.45 58.50 1i35 n PHE 40 Cb 0.06 -1.53 -0.10 0.00 -0.01 0.00 0.00 39.48 37.89 1i35 n PHE 40 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1i35 s ILE 41 N -2.14 1.34 0.20 4.37 -1.09 0.11 -4.77 121.20 119.22 1i35 s ILE 41 Ca 0.46 -1.96 0.09 0.00 -2.23 0.00 0.00 60.65 57.00 1i35 s ILE 41 Cb -0.12 -1.77 -0.04 0.00 -1.58 0.00 0.00 42.46 38.95 1i35 s ILE 41 CO 0.73 -0.60 -0.17 -0.69 -1.23 0.00 0.00 174.94 172.98 1i35 s VAL 42 N -2.83 1.90 0.01 2.92 1.01 -1.12 -0.61 120.40 121.68 1i35 s VAL 42 Ca 0.15 -2.11 0.01 0.00 0.00 0.00 0.00 61.98 60.03 1i35 s VAL 42 Cb -0.01 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1i35 s VAL 42 CO 0.03 -0.43 -0.02 0.00 0.00 0.00 0.00 175.10 174.67 1i35 s VAL 44 N -0.44 0.00 0.00 0.00 1.01 -1.13 0.15 120.40 119.99 1i35 s VAL 44 Ca -0.04 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.57 1i35 s VAL 44 Cb -0.03 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1i35 s VAL 44 CO -0.00 -0.01 0.00 -1.54 0.00 0.00 0.00 175.10 173.55 1i35 n SER 45 N -0.38 0.00 0.00 3.32 3.41 -1.26 -1.30 113.62 117.41 1i35 n SER 45 Ca -0.02 -0.68 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 1i35 n SER 45 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1i35 n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i35 n GLN 46 N 0.00 0.00 0.00 4.33 6.02 -1.25 -4.75 117.38 121.72 1i35 n GLN 46 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1i35 n GLN 46 Cb 0.00 -0.75 0.00 0.00 1.02 0.00 0.00 30.24 30.51 1i35 n GLN 46 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1i35 n SER 47 N -2.55 0.00 0.02 1.08 3.41 -1.26 -4.83 113.62 109.49 1i35 n SER 47 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.41 1i35 n SER 47 Cb 0.43 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.23 1i35 n SER 47 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1i35 h SER 48 N 0.00 0.38 -2.96 4.04 0.02 -1.99 -3.45 113.55 109.59 1i35 h SER 48 Ca 0.00 -0.90 -0.54 0.00 -0.84 0.00 0.00 61.79 59.50 1i35 h SER 48 Cb 0.00 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 1i35 h SER 48 CO 0.00 1.44 0.79 -0.13 -1.14 0.00 0.00 176.83 177.79 1i35 s ARG 49 N -2.43 4.31 -0.14 3.45 0.52 -1.26 -5.01 118.95 118.38 1i35 s ARG 49 Ca -0.17 1.91 -0.08 0.00 -0.52 0.00 0.00 55.73 56.88 1i35 s ARG 49 Cb 0.02 -3.53 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 1i35 s ARG 49 CO 0.79 -0.53 0.13 0.42 0.02 0.00 0.00 175.30 176.13 1i35 s ILE 50 N 2.20 5.38 0.08 1.52 1.01 -1.26 -3.89 121.20 126.25 1i35 s ILE 50 Ca 0.62 0.17 0.04 0.00 0.00 0.00 0.00 60.65 61.48 1i35 s ILE 50 Cb -0.31 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1i35 s ILE 50 CO 0.26 0.56 0.02 -0.75 0.00 0.00 0.00 174.94 175.03 1i35 s LYS 51 N -0.55 2.67 0.02 2.79 2.47 -0.42 -5.01 119.74 121.71 1i35 s LYS 51 Ca 0.12 -0.78 -0.22 0.00 -1.56 0.00 0.00 55.97 53.53 1i35 s LYS 51 Cb -0.12 -2.61 -0.05 0.00 -1.46 0.00 0.00 37.83 33.59 1i35 s LYS 51 CO 0.02 0.55 0.66 -0.48 0.16 0.00 0.00 175.35 176.26 1i35 s LEU 52 N -2.29 4.43 -0.32 5.43 0.05 -1.26 -2.84 118.68 121.90 1i35 s LEU 52 Ca 0.26 1.28 -0.08 0.00 0.05 0.00 0.00 54.13 55.64 1i35 s LEU 52 Cb -0.12 -3.04 0.01 0.00 -2.05 0.00 0.00 46.19 41.00 1i35 s LEU 52 CO 0.19 0.08 0.11 -0.63 -0.55 0.00 0.00 176.35 175.55 1i35 s ILE 53 N -0.18 4.09 0.00 1.48 1.01 -0.41 -4.68 121.20 122.51 1i35 s ILE 53 Ca 0.34 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 60.23 1i35 s ILE 53 Cb -0.19 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.11 1i35 s ILE 53 CO 0.19 -0.01 0.00 1.07 0.00 0.00 0.00 174.94 176.19 1i35 n THR 54 N 4.89 0.00 0.00 2.92 5.66 -1.26 -2.79 114.28 123.69 1i35 n THR 54 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1i35 n THR 54 Cb 0.47 -0.38 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 1i35 n THR 54 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1i35 n GLU 55 N 0.00 0.00 0.14 1.09 0.28 -1.26 -4.78 120.64 116.10 1i35 n GLU 55 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.92 1i35 n GLU 55 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 1i35 n GLU 55 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1i35 h GLU 56 N 0.00 -0.41 0.00 3.44 4.39 -2.00 -3.31 114.58 116.69 1i35 h GLU 56 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1i35 h GLU 56 Cb 0.00 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1i35 h GLU 56 CO 0.00 -0.21 0.30 0.93 -1.16 0.00 0.00 179.01 178.87 1i35 h GLU 57 N -1.08 0.00 -0.74 2.33 3.07 -1.93 -3.21 114.58 113.01 1i35 h GLU 57 Ca -0.04 0.00 0.14 0.00 -0.50 0.00 0.00 59.36 58.96 1i35 h GLU 57 Cb 0.39 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.16 1i35 h GLU 57 CO 0.07 0.00 -0.23 0.27 -1.40 0.00 0.00 179.01 177.72 1i35 h PHE 58 N 0.00 -0.53 0.10 4.33 -0.00 -1.87 2.82 116.94 121.80 1i35 h PHE 58 Ca 0.00 0.07 -0.01 0.00 -0.00 0.00 0.00 57.97 58.04 1i35 h PHE 58 Cb 0.60 0.35 0.00 0.00 -0.00 0.00 0.00 35.95 36.90 1i35 h PHE 58 CO 0.00 -0.34 -0.05 -0.22 -0.00 0.00 0.00 178.31 177.70 1i35 h LYS 59 N -0.03 -0.13 -0.12 6.09 3.64 -1.80 -2.74 116.57 121.48 1i35 h LYS 59 Ca 0.34 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.62 1i35 h LYS 59 Cb 0.56 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1i35 h LYS 59 CO -0.78 0.33 -0.34 1.96 -2.27 0.00 0.00 179.45 178.34 1i35 h GLN 60 N -0.67 0.44 -0.07 1.90 4.20 -1.46 -1.72 115.11 117.73 1i35 h GLN 60 Ca -0.01 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 1i35 h GLN 60 Cb 0.52 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 1i35 h GLN 60 CO 0.02 0.94 -0.02 0.82 -0.67 0.00 0.00 178.83 179.92 1i35 h ILE 61 N 0.03 1.31 0.02 2.54 5.03 0.48 0.76 117.51 127.67 1i35 h ILE 61 Ca -0.01 -0.98 -0.00 0.00 -0.12 0.00 0.00 64.86 63.75 1i35 h ILE 61 Cb 0.96 1.81 0.00 0.00 -3.03 0.00 0.00 36.82 36.56 1i35 h ILE 61 CO 0.07 0.27 -0.01 0.00 -0.68 0.00 0.00 178.15 177.81 1i35 h PHE 63 N -0.60 0.21 0.00 0.00 -1.00 -1.41 -3.40 116.94 110.73 1i35 h PHE 63 Ca -0.00 -0.09 0.00 0.00 2.81 0.00 0.00 57.97 60.68 1i35 h PHE 63 Cb 0.58 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.11 1i35 h PHE 63 CO 0.12 0.81 0.00 -1.71 -1.61 0.00 0.00 178.31 175.93 1i35 n ASN 64 N -4.60 0.00 0.02 2.17 4.05 0.26 -4.70 115.26 112.46 1i35 n ASN 64 Ca -0.09 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.94 1i35 n ASN 64 Cb 0.42 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.43 1i35 n ASN 64 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1i35 n SER 65 N 0.00 -0.42 0.00 1.20 3.41 -1.12 -4.41 113.62 112.28 1i35 n SER 65 Ca 0.00 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1i35 n SER 65 Cb 0.00 0.80 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 1i35 n SER 65 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1i35 n SER 66 N -2.93 0.00 0.03 4.04 2.88 -1.26 -4.52 113.62 111.85 1i35 n SER 66 Ca 0.00 -0.45 -0.11 0.00 -1.33 0.00 0.00 58.87 56.99 1i35 n SER 66 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1i35 n SER 66 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1i35 h SER 67 N 0.00 -0.13 0.60 -3.46 0.02 -1.94 -3.29 113.55 105.35 1i35 h SER 67 Ca 0.00 -0.43 -0.06 0.00 -0.84 0.00 0.00 61.79 60.46 1i35 h SER 67 Cb 0.22 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1i35 h SER 67 CO 0.00 0.47 -0.28 1.55 -1.14 0.00 0.00 176.83 177.43 1i35 h PRO 68 N -0.86 0.00 -2.52 3.45 0.13 -1.95 -3.46 132.00 126.79 1i35 h PRO 68 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1i35 h PRO 68 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1i35 h PRO 68 CO 0.03 0.28 0.00 -1.91 -0.23 0.00 0.00 178.00 176.17 1i35 n GLU 69 N -3.68 -0.15 0.00 0.86 0.00 -1.24 -4.71 120.64 111.72 1i35 n GLU 69 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 57.16 57.08 1i35 n GLU 69 Cb 0.39 0.13 0.00 0.00 0.00 0.00 0.00 31.44 31.97 1i35 n GLU 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1i35 n ARG 70 N -0.28 0.00 -3.68 5.31 0.63 -1.26 -5.00 116.66 112.38 1i35 n ARG 70 Ca 0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 1i35 n ARG 70 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 1i35 n ARG 70 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1i35 s ASP 71 N 0.00 -0.14 -0.48 6.15 1.01 -1.22 -4.93 116.67 117.06 1i35 s ASP 71 Ca 0.00 -0.26 -0.14 0.00 0.71 0.00 0.00 52.55 52.86 1i35 s ASP 71 Cb 0.00 0.34 0.09 0.00 1.01 0.00 0.00 42.92 44.36 1i35 s ASP 71 CO 0.00 -0.62 0.40 0.00 0.21 0.00 0.00 175.17 175.16 1i35 s ARG 72 N -2.90 2.89 -0.10 8.23 1.04 -1.23 0.06 118.95 126.94 1i35 s ARG 72 Ca 0.12 -1.49 -0.27 0.00 -1.04 0.00 0.00 55.73 53.05 1i35 s ARG 72 Cb 0.01 -4.11 -0.02 0.00 -2.04 0.00 0.00 34.95 28.79 1i35 s ARG 72 CO -0.01 -1.11 0.87 -0.48 -0.04 0.00 0.00 175.30 174.52 1i35 s LEU 73 N 1.58 4.26 -0.21 -1.89 0.05 0.57 -4.54 118.68 118.50 1i35 s LEU 73 Ca 0.04 1.35 -0.25 0.00 0.05 0.00 0.00 54.13 55.31 1i35 s LEU 73 Cb -0.26 -3.33 -0.01 0.00 -2.05 0.00 0.00 46.19 40.54 1i35 s LEU 73 CO 0.04 -0.31 0.84 -0.63 -0.55 0.00 0.00 176.35 175.74 1i35 s ILE 74 N 1.58 4.84 -0.02 1.48 1.01 0.39 0.23 121.20 130.71 1i35 s ILE 74 Ca 0.43 1.63 -0.17 0.00 0.00 0.00 0.00 60.65 62.54 1i35 s ILE 74 Cb -0.18 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.10 1i35 s ILE 74 CO 0.18 -0.04 0.46 -0.63 0.00 0.00 0.00 174.94 174.91 1i35 s ILE 75 N 2.57 5.02 -0.02 2.92 -1.09 0.32 -0.04 121.20 130.89 1i35 s ILE 75 Ca 0.37 0.95 -0.00 0.00 -2.23 0.00 0.00 60.65 59.74 1i35 s ILE 75 Cb -0.16 -3.78 0.02 0.00 -1.58 0.00 0.00 42.46 36.96 1i35 s ILE 75 CO 0.09 0.49 0.03 0.68 -1.23 0.00 0.00 174.94 175.01 1i35 s VAL 76 N -0.54 -0.04 0.12 2.92 -7.23 0.22 -2.47 120.40 113.38 1i35 s VAL 76 Ca 0.25 0.15 -0.31 0.00 -1.81 0.00 0.00 61.98 60.26 1i35 s VAL 76 Cb -0.17 -0.07 -0.08 0.00 0.56 0.00 0.00 36.38 36.62 1i35 s VAL 76 CO 0.13 0.06 1.37 -2.16 -0.31 0.00 0.00 175.10 174.20 1i35 s PRO 77 N 0.74 4.33 0.15 4.82 0.04 -1.26 0.09 135.00 143.91 1i35 s PRO 77 Ca -0.06 2.06 -0.26 0.00 0.04 0.00 0.00 61.00 62.78 1i35 s PRO 77 Cb -0.09 -3.25 -0.00 0.00 0.04 0.00 0.00 34.50 31.20 1i35 s PRO 77 CO -0.02 -0.41 1.59 -0.22 0.04 0.00 0.00 177.00 177.98 1i35 h LYS 78 N 6.64 -0.36 -1.42 4.56 3.64 -1.86 -0.08 116.57 127.70 1i35 h LYS 78 Ca -0.42 0.02 0.42 0.00 -1.27 0.00 0.00 60.65 59.40 1i35 h LYS 78 Cb 1.21 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 33.04 1i35 h LYS 78 CO 0.85 -0.24 0.99 0.93 -2.27 0.00 0.00 179.45 179.72 1i35 h GLU 79 N -0.37 0.06 0.00 1.90 3.07 -1.92 -3.39 114.58 113.93 1i35 h GLU 79 Ca 0.12 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1i35 h GLU 79 Cb 0.58 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1i35 h GLU 79 CO -0.47 0.04 0.00 1.17 -1.40 0.00 0.00 179.01 178.35 1i35 n LYS 80 N -4.24 0.00 0.00 2.33 3.00 -0.14 -5.18 118.16 113.93 1i35 n LYS 80 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.64 1i35 n LYS 80 Cb 1.46 0.00 0.00 0.00 0.00 0.00 0.00 35.03 36.49 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 1.59 -2.67 1.64 -0.04 -0.63 -4.35 135.00 130.54 1i35 n PRO 81 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 1i35 n PRO 81 Cb 0.00 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 33.55 1i35 n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i35 s PRO 83 N 0.07 3.11 0.00 0.00 0.02 -1.26 -4.42 135.00 132.51 1i35 s PRO 83 Ca 0.17 1.37 0.00 0.00 0.02 0.00 0.00 61.00 62.57 1i35 s PRO 83 Cb 0.25 -4.28 0.00 0.00 0.02 0.00 0.00 34.50 30.50 1i35 s PRO 83 CO -0.14 -2.13 0.00 -1.13 -0.33 0.00 0.00 177.00 173.27 1i35 n SER 84 N 11.27 0.00 -0.30 2.53 3.41 -1.26 -4.96 113.62 124.31 1i35 n SER 84 Ca 0.24 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.87 1i35 n SER 84 Cb 0.48 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.64 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 1.07 -1.00 7.33 0.04 -1.77 -1.45 116.94 121.16 1i35 h PHE 85 Ca 0.00 0.03 0.12 0.00 2.80 0.00 0.00 57.97 60.92 1i35 h PHE 85 Cb 0.00 -0.36 -0.08 0.00 2.20 0.00 0.00 35.95 37.71 1i35 h PHE 85 CO 0.00 0.62 0.63 1.05 -0.60 0.00 0.00 178.31 180.01 1i35 h GLU 86 N 1.10 0.95 0.00 1.51 -0.00 0.27 1.64 114.58 120.06 1i35 h GLU 86 Ca 0.36 -0.06 0.00 0.00 -0.00 0.00 0.00 59.36 59.66 1i35 h GLU 86 Cb 0.03 -0.21 0.00 0.00 -0.00 0.00 0.00 28.75 28.57 1i35 h GLU 86 CO -0.11 0.63 0.00 0.38 -0.00 0.00 0.00 179.01 179.91 1i35 h ASP 87 N 0.98 0.00 0.00 3.06 3.04 -1.54 -3.40 116.42 118.57 1i35 h ASP 87 Ca 0.50 0.00 -0.11 0.00 -3.24 0.00 0.00 57.03 54.18 1i35 h ASP 87 Cb 0.51 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.78 1i35 h ASP 87 CO -0.26 0.00 -1.11 0.00 -2.04 0.00 0.00 179.24 175.83 1i35 n LEU 88 N -2.56 1.11 -1.31 0.15 -0.00 0.16 -1.25 117.00 113.30 1i35 n LEU 88 Ca 0.05 0.18 -0.06 0.00 -0.00 0.00 0.00 56.01 56.17 1i35 n LEU 88 Cb 0.44 -0.42 -0.06 0.00 -0.00 0.00 0.00 43.42 43.38 1i35 n LEU 88 CO 0.31 -0.11 0.59 -1.14 -0.00 0.00 0.00 177.39 177.04 1i35 n ARG 89 N -3.70 0.00 0.00 1.47 0.00 0.54 -0.58 116.66 114.39 1i35 n ARG 89 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.69 1i35 n ARG 89 Cb 0.47 -0.29 0.00 0.00 0.00 0.00 0.00 32.46 32.63 1i35 n ARG 89 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1i35 n ARG 90 N 1.59 0.00 0.00 -0.14 3.00 -1.26 -4.20 116.66 115.65 1i35 n ARG 90 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 1i35 n ARG 90 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.51 1i35 n ARG 90 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1i35 n SER 91 N 0.00 1.38 -3.46 6.15 2.88 -1.17 -4.91 113.62 114.48 1i35 n SER 91 Ca 0.00 -1.22 -0.34 0.00 -1.33 0.00 0.00 58.87 55.98 1i35 n SER 91 Cb 0.00 -0.31 -0.00 0.00 -0.75 0.00 0.00 64.21 63.15 1i35 n SER 91 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 1i35 n TRP 92 N 0.51 -1.72 -1.52 0.66 -0.00 0.25 -4.47 117.44 111.15 1i35 n TRP 92 Ca 0.00 0.50 -0.39 0.00 -0.00 0.00 0.00 57.50 57.60 1i35 n TRP 92 Cb 0.25 -1.43 -0.11 0.00 -0.00 0.00 0.00 31.31 30.02 1i35 n TRP 92 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 1i35 n GLU 93 N 1.08 0.38 0.00 5.87 1.02 -0.38 -4.01 120.64 124.60 1i35 n GLU 93 Ca 0.09 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1i35 n GLU 93 Cb 0.32 -2.21 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 1i35 n GLU 93 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1i35 n ILE 94 N 7.67 0.00 0.37 -3.67 0.00 -1.26 -4.87 119.36 117.60 1i35 n ILE 94 Ca 0.55 0.00 0.03 0.00 0.00 0.00 0.00 62.75 63.33 1i35 n ILE 94 Cb 0.22 0.00 0.17 0.00 0.00 0.00 0.00 39.64 40.03 1i35 n ILE 94 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93