#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 4.59 0.33 0.00 1.01 -1.26 -1.28 121.20 124.58 1i35 s ILE 2 Ca 0.00 1.88 0.09 0.00 0.00 0.00 0.00 60.65 62.62 1i35 s ILE 2 Cb 0.00 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 1i35 s ILE 2 CO 0.00 -0.02 0.06 -0.76 0.00 0.00 0.00 174.94 174.22 1i35 s LEU 3 N 2.27 3.13 -0.17 2.97 2.01 0.83 -4.94 118.68 124.77 1i35 s LEU 3 Ca 0.50 -0.85 -0.00 0.00 0.01 0.00 0.00 54.13 53.79 1i35 s LEU 3 Cb -0.20 -1.56 0.00 0.00 0.01 0.00 0.00 46.19 44.44 1i35 s LEU 3 CO 0.18 -0.23 -0.14 -0.13 1.01 0.00 0.00 176.35 177.03 1i35 s ARG 4 N -3.77 3.19 -0.11 1.70 0.52 -1.26 -2.31 118.95 116.92 1i35 s ARG 4 Ca 0.36 -0.74 0.01 0.00 -0.52 0.00 0.00 55.73 54.83 1i35 s ARG 4 Cb -0.02 -2.69 -0.02 0.00 0.52 0.00 0.00 34.95 32.75 1i35 s ARG 4 CO 0.21 -0.08 -0.15 -0.59 0.02 0.00 0.00 175.30 174.71 1i35 s PHE 5 N 1.07 2.75 -0.19 -0.53 -0.71 -0.91 0.41 117.98 119.87 1i35 s PHE 5 Ca -0.00 -0.56 -0.05 0.00 -1.04 0.00 0.00 56.93 55.27 1i35 s PHE 5 Cb -0.14 -1.77 -0.03 0.00 -1.21 0.00 0.00 43.02 39.87 1i35 s PHE 5 CO -0.04 -0.13 0.00 0.42 -1.34 0.00 0.00 175.22 174.13 1i35 s ILE 6 N 0.07 4.04 0.00 -4.49 -1.09 0.35 -1.19 121.20 118.89 1i35 s ILE 6 Ca -0.06 -0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.07 1i35 s ILE 6 Cb -0.15 -2.82 0.00 0.00 -1.58 0.00 0.00 42.46 37.91 1i35 s ILE 6 CO 0.05 0.44 0.00 0.00 -1.23 0.00 0.00 174.94 174.19 1i35 n ALA 7 N 4.10 0.00 0.00 9.38 0.00 0.31 0.17 120.51 134.47 1i35 n ALA 7 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1i35 n ALA 7 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1i35 n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i35 h ASN 9 N 0.00 0.49 -0.07 0.00 -1.07 -1.92 -3.39 115.58 109.62 1i35 h ASN 9 Ca 0.00 0.01 -0.18 0.00 0.07 0.00 0.00 56.30 56.20 1i35 h ASN 9 Cb 0.00 -0.10 -0.14 0.00 -2.07 0.00 0.00 38.32 36.01 1i35 h ASN 9 CO 0.00 0.34 -0.38 0.61 0.07 0.00 0.00 177.43 178.07 1i35 n GLY 10 N -1.24 -0.46 2.84 9.14 0.00 -1.26 -4.01 105.19 110.20 1i35 n GLY 10 Ca 0.04 0.39 -0.16 0.00 0.00 0.00 0.00 46.02 46.28 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 0.58 0.31 -0.04 1.61 2.00 -1.26 -5.01 119.66 117.86 1i35 s GLN 11 Ca 0.30 0.03 0.06 0.00 -2.00 0.00 0.00 55.36 53.75 1i35 s GLN 11 Cb 0.21 -0.44 -0.01 0.00 0.80 0.00 0.00 33.01 33.57 1i35 s GLN 11 CO -0.20 -0.09 -0.22 0.99 -0.50 0.00 0.00 175.29 175.28 1i35 s THR 12 N 0.77 1.76 0.05 -0.34 2.01 -1.26 0.11 115.64 118.74 1i35 s THR 12 Ca -0.08 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 60.96 1i35 s THR 12 Cb -0.11 -1.48 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 1i35 s THR 12 CO -0.01 0.50 0.06 -0.60 -0.69 0.00 0.00 174.62 173.88 1i35 s ARG 13 N -0.22 0.65 0.04 4.92 6.06 -0.34 -5.01 118.95 125.05 1i35 s ARG 13 Ca 0.00 -0.98 0.00 0.00 -2.50 0.00 0.00 55.73 52.25 1i35 s ARG 13 Cb -0.11 0.24 -0.04 0.00 0.06 0.00 0.00 34.95 35.10 1i35 s ARG 13 CO 0.02 -0.16 0.14 0.00 -2.50 0.00 0.00 175.30 172.80 1i35 s ALA 14 N -3.39 3.78 -0.07 6.12 0.00 -1.26 -2.14 121.76 124.81 1i35 s ALA 14 Ca 0.02 -0.88 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 1i35 s ALA 14 Cb 0.04 -1.68 0.02 0.00 0.00 0.00 0.00 23.12 21.50 1i35 s ALA 14 CO -0.08 0.76 0.25 0.14 0.00 0.00 0.00 175.76 176.83 1i35 s VAL 15 N -1.37 0.02 -0.47 0.00 -7.23 -0.98 -4.99 120.40 105.38 1i35 s VAL 15 Ca 0.29 -0.19 -0.15 0.00 -1.81 0.00 0.00 61.98 60.13 1i35 s VAL 15 Cb -0.12 -0.43 0.08 0.00 0.56 0.00 0.00 36.38 36.47 1i35 s VAL 15 CO 0.21 -0.10 0.39 -1.10 -0.31 0.00 0.00 175.10 174.19 1i35 s GLN 16 N -0.34 2.95 0.03 4.82 -0.21 -1.26 -0.12 119.66 125.52 1i35 s GLN 16 Ca -0.05 -1.39 0.02 0.00 0.02 0.00 0.00 55.36 53.96 1i35 s GLN 16 Cb -0.03 -4.12 -0.02 0.00 1.00 0.00 0.00 33.01 29.84 1i35 s GLN 16 CO 0.01 -1.05 -0.07 0.45 -2.12 0.00 0.00 175.29 172.51 1i35 s SER 17 N 2.64 0.78 0.00 5.90 0.15 -0.41 -4.93 113.70 117.83 1i35 s SER 17 Ca 0.04 -0.43 0.01 0.00 0.70 0.00 0.00 55.95 56.26 1i35 s SER 17 Cb -0.25 0.01 0.01 0.00 -1.71 0.00 0.00 66.02 64.08 1i35 s SER 17 CO 0.06 -0.14 0.64 -1.14 1.20 0.00 0.00 173.24 173.86 1i35 n ARG 18 N 1.85 0.00 0.00 5.44 0.00 -1.26 0.17 116.66 122.86 1i35 n ARG 18 Ca -0.20 -0.30 0.00 0.00 -0.00 0.00 0.00 57.85 57.35 1i35 n ARG 18 Cb 0.56 0.03 0.00 0.00 0.00 0.00 0.00 32.46 33.05 1i35 n ARG 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1i35 n GLY 19 N 0.01 3.06 3.85 5.14 0.00 -1.26 -4.88 105.19 111.12 1i35 n GLY 19 Ca -0.04 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 1i35 n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i35 s ASP 20 N 1.00 6.70 0.31 1.61 2.15 -1.26 -4.99 116.67 122.20 1i35 s ASP 20 Ca 0.00 1.26 0.16 0.00 0.43 0.00 0.00 52.55 54.41 1i35 s ASP 20 Cb 0.00 -2.37 0.17 0.00 -0.30 0.00 0.00 42.92 40.42 1i35 s ASP 20 CO 0.00 -0.27 1.50 0.22 -0.17 0.00 0.00 175.17 176.44 1i35 h TYR 21 N 1.93 0.00 -0.33 -5.34 5.03 -1.95 -3.33 116.97 112.98 1i35 h TYR 21 Ca -0.48 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 60.83 1i35 h TYR 21 Cb 1.18 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.44 1i35 h TYR 21 CO 0.62 0.43 0.20 0.37 -1.32 0.00 0.00 178.16 178.45 1i35 h GLN 22 N 0.00 0.46 -0.08 1.82 5.75 -1.94 0.83 115.11 121.95 1i35 h GLN 22 Ca -0.00 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1i35 h GLN 22 Cb 1.29 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.74 1i35 h GLN 22 CO 0.06 0.35 0.00 0.87 -2.65 0.00 0.00 178.83 177.46 1i35 h LYS 23 N 0.43 0.13 -0.59 1.69 1.79 -1.99 0.98 116.57 119.01 1i35 h LYS 23 Ca 0.12 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.48 1i35 h LYS 23 Cb 0.01 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 1i35 h LYS 23 CO -0.02 0.39 0.10 0.00 -1.08 0.00 0.00 179.45 178.84 1i35 h THR 24 N -0.14 1.25 -0.14 -0.16 1.03 -1.64 -0.00 112.91 113.10 1i35 h THR 24 Ca 0.02 -0.95 -0.03 0.00 -0.01 0.00 0.00 66.41 65.44 1i35 h THR 24 Cb 0.32 0.68 -0.00 0.00 -1.07 0.00 0.00 68.15 68.08 1i35 h THR 24 CO 0.00 0.35 -0.05 0.25 -0.01 0.00 0.00 175.52 176.07 1i35 h LEU 25 N 0.89 0.28 0.35 0.00 7.12 0.84 0.35 115.31 125.15 1i35 h LEU 25 Ca 0.18 -0.39 -0.02 0.00 0.13 0.00 0.00 57.88 57.79 1i35 h LEU 25 Cb 0.38 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.43 1i35 h LEU 25 CO 0.01 0.61 -0.18 0.00 -0.13 0.00 0.00 178.44 178.75 1i35 h ALA 26 N 0.69 -0.49 -0.11 1.25 0.00 0.13 -2.67 119.26 118.06 1i35 h ALA 26 Ca 0.03 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1i35 h ALA 26 Cb 0.49 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1i35 h ALA 26 CO 0.02 -0.78 -0.51 0.82 0.00 0.00 0.00 179.25 178.80 1i35 h ILE 27 N -0.49 1.34 -0.12 0.00 1.08 -1.05 -2.75 117.51 115.53 1i35 h ILE 27 Ca -0.05 -1.76 0.05 0.00 -0.39 0.00 0.00 64.86 62.71 1i35 h ILE 27 Cb 0.38 1.82 -0.06 0.00 -3.07 0.00 0.00 36.82 35.90 1i35 h ILE 27 CO 0.07 0.53 -0.26 0.00 -0.69 0.00 0.00 178.15 177.80 1i35 h ALA 28 N 1.23 -0.26 -0.60 1.87 0.00 -0.15 -1.99 119.26 119.36 1i35 h ALA 28 Ca 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1i35 h ALA 28 Cb 0.98 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 1i35 h ALA 28 CO 0.08 -0.73 0.29 -0.07 0.00 0.00 0.00 179.25 178.82 1i35 h LEU 29 N -0.33 0.75 -0.36 0.00 -0.00 -1.44 0.54 115.31 114.47 1i35 h LEU 29 Ca 0.10 -0.07 0.02 0.00 -0.00 0.00 0.00 57.88 57.93 1i35 h LEU 29 Cb 0.48 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 40.92 1i35 h LEU 29 CO -0.31 0.64 0.19 0.50 -0.00 0.00 0.00 178.44 179.46 1i35 h LYS 30 N 0.84 0.37 0.07 1.13 1.63 -1.01 -1.38 116.57 118.22 1i35 h LYS 30 Ca 0.21 -0.02 -0.26 0.00 -0.85 0.00 0.00 60.65 59.72 1i35 h LYS 30 Cb 0.09 -0.08 0.01 0.00 -0.60 0.00 0.00 32.23 31.65 1i35 h LYS 30 CO -0.03 0.25 -1.12 0.87 -3.45 0.00 0.00 179.45 175.97 1i35 h LYS 31 N 0.38 0.47 0.11 1.90 1.79 -1.31 -3.38 116.57 116.54 1i35 h LYS 31 Ca 0.15 -0.60 -0.01 0.00 -2.18 0.00 0.00 60.65 58.02 1i35 h LYS 31 Cb 0.05 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1i35 h LYS 31 CO -0.10 1.24 -0.05 0.35 -1.08 0.00 0.00 179.45 179.81 1i35 h PHE 32 N 0.22 -0.13 0.00 -1.35 3.04 0.72 -3.46 116.94 115.98 1i35 h PHE 32 Ca -0.13 -0.00 -0.27 0.00 3.98 0.00 0.00 57.97 61.55 1i35 h PHE 32 Cb 1.79 0.04 -0.04 0.00 2.56 0.00 0.00 35.95 40.30 1i35 h PHE 32 CO 0.08 -0.08 -1.90 0.43 -2.02 0.00 0.00 178.31 174.82 1i35 n SER 33 N -3.32 1.19 0.00 0.41 7.64 -0.88 -5.03 113.62 113.63 1i35 n SER 33 Ca -0.02 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1i35 n SER 33 Cb 0.06 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 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 -3.69 0.00 -3.65 -3.43 4.32 -0.58 -5.05 117.00 104.92 1i35 n LEU 34 Ca -0.31 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.54 1i35 n LEU 34 Cb 0.73 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.45 1i35 n LEU 34 CO 0.02 0.00 0.33 -1.61 -1.22 0.00 0.00 177.39 174.91 1i35 s GLU 35 N 2.50 0.76 0.00 3.23 2.02 -1.25 -2.41 118.70 123.55 1i35 s GLU 35 Ca 0.00 0.84 0.00 0.00 0.02 0.00 0.00 54.97 55.83 1i35 s GLU 35 Cb 0.00 0.37 0.00 0.00 0.10 0.00 0.00 34.13 34.60 1i35 s GLU 35 CO 0.00 -0.10 0.00 -0.25 0.02 0.00 0.00 175.26 174.93 1i35 n ASP 36 N 2.63 -1.33 0.26 -0.19 8.00 -1.26 -4.89 116.55 119.77 1i35 n ASP 36 Ca -0.14 0.00 0.17 0.00 0.71 0.00 0.00 54.79 55.53 1i35 n ASP 36 Cb 0.56 -0.33 0.91 0.00 -0.02 0.00 0.00 41.12 42.24 1i35 n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i35 h ALA 37 N 0.00 1.57 -0.72 2.24 0.00 -1.86 -3.37 119.26 117.12 1i35 h ALA 37 Ca 0.00 -0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.12 1i35 h ALA 37 Cb 0.66 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1i35 h ALA 37 CO 0.00 -0.19 1.07 1.03 0.00 0.00 0.00 179.25 181.16 1i35 h SER 38 N 0.00 0.00 -1.87 0.00 0.87 -1.90 0.12 113.55 110.77 1i35 h SER 38 Ca 0.05 0.00 -0.77 0.00 -1.23 0.00 0.00 61.79 59.83 1i35 h SER 38 Cb 0.32 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 62.09 1i35 h SER 38 CO -0.00 0.00 1.63 0.29 -0.53 0.00 0.00 176.83 178.22 1i35 n LYS 39 N -3.12 3.86 -3.69 2.24 4.01 -1.26 -4.85 118.16 115.35 1i35 n LYS 39 Ca 0.16 -3.84 -0.10 0.00 -0.51 0.00 0.00 58.31 54.02 1i35 n LYS 39 Cb 1.29 -2.81 -0.05 0.00 -0.51 0.00 0.00 35.03 32.96 1i35 n LYS 39 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 1i35 s PHE 40 N -0.49 -0.12 0.09 2.13 0.40 0.40 -2.70 117.98 117.68 1i35 s PHE 40 Ca 0.37 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.52 1i35 s PHE 40 Cb 0.07 0.24 -0.04 0.00 0.51 0.00 0.00 43.02 43.81 1i35 s PHE 40 CO 0.03 -0.73 -0.08 0.42 0.70 0.00 0.00 175.22 175.57 1i35 s ILE 41 N -3.83 0.73 0.08 0.64 1.09 0.71 -4.47 121.20 116.15 1i35 s ILE 41 Ca 0.05 -1.66 0.08 0.00 -1.10 0.00 0.00 60.65 58.02 1i35 s ILE 41 Cb 0.02 -1.35 -0.03 0.00 -1.06 0.00 0.00 42.46 40.03 1i35 s ILE 41 CO -0.10 -0.68 -0.22 -0.69 -0.10 0.00 0.00 174.94 173.16 1i35 s VAL 42 N -2.79 1.76 0.10 2.92 1.01 -0.98 -0.67 120.40 121.76 1i35 s VAL 42 Ca 0.05 -1.44 0.03 0.00 0.00 0.00 0.00 61.98 60.62 1i35 s VAL 42 Cb -0.00 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1i35 s VAL 42 CO -0.02 0.06 -0.09 0.00 0.00 0.00 0.00 175.10 175.05 1i35 s VAL 44 N -2.92 0.68 0.00 0.00 1.01 -1.17 -1.26 120.40 116.74 1i35 s VAL 44 Ca 0.09 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1i35 s VAL 44 Cb 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1i35 s VAL 44 CO -0.01 -0.33 0.00 -0.24 0.00 0.00 0.00 175.10 174.52 1i35 n SER 45 N 1.46 0.00 0.00 3.32 2.88 -1.26 -2.01 113.62 118.01 1i35 n SER 45 Ca -0.22 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.32 1i35 n SER 45 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 1i35 n SER 45 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i35 n GLN 46 N 0.00 0.00 0.00 -1.46 10.64 -1.26 -4.31 117.38 120.98 1i35 n GLN 46 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1i35 n GLN 46 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1i35 n GLN 46 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1i35 n SER 47 N 0.00 0.00 -0.01 2.61 3.41 -1.26 -4.81 113.62 113.57 1i35 n SER 47 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 1i35 n SER 47 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 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 0.00 0.33 0.00 4.04 4.64 -2.01 -3.49 113.55 117.05 1i35 h SER 48 Ca 0.00 -0.84 0.00 0.00 -0.47 0.00 0.00 61.79 60.48 1i35 h SER 48 Cb 0.00 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1i35 h SER 48 CO 0.00 1.13 0.00 -1.14 -0.87 0.00 0.00 176.83 175.95 1i35 n ARG 49 N -4.36 0.00 -3.31 4.77 0.63 -1.26 -5.16 116.66 107.97 1i35 n ARG 49 Ca -0.11 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.44 1i35 n ARG 49 Cb 0.62 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.47 1i35 n ARG 49 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1i35 s ILE 50 N -2.00 4.79 -0.09 5.15 2.07 -1.26 -4.51 121.20 125.35 1i35 s ILE 50 Ca 0.00 1.10 0.02 0.00 -1.41 0.00 0.00 60.65 60.36 1i35 s ILE 50 Cb 0.00 -3.84 -0.02 0.00 0.13 0.00 0.00 42.46 38.73 1i35 s ILE 50 CO 0.00 0.48 -0.15 -0.54 -1.91 0.00 0.00 174.94 172.82 1i35 s LYS 51 N -1.30 2.99 0.54 3.50 1.02 -0.85 -4.94 119.74 120.69 1i35 s LYS 51 Ca 0.31 -0.72 -0.21 0.00 0.02 0.00 0.00 55.97 55.36 1i35 s LYS 51 Cb -0.18 -2.48 -0.05 0.00 -0.52 0.00 0.00 37.83 34.60 1i35 s LYS 51 CO 0.18 0.37 1.23 -0.48 -0.92 0.00 0.00 175.35 175.73 1i35 s LEU 52 N -0.07 3.82 -0.01 3.17 -0.00 -1.26 -3.04 118.68 121.29 1i35 s LEU 52 Ca -0.03 2.46 -0.09 0.00 -0.00 0.00 0.00 54.13 56.46 1i35 s LEU 52 Cb -0.14 -4.40 0.01 0.00 -0.00 0.00 0.00 46.19 41.66 1i35 s LEU 52 CO 0.04 -1.37 0.19 -0.51 -0.00 0.00 0.00 176.35 174.71 1i35 s ILE 53 N -1.51 0.06 0.00 1.48 1.10 0.48 -4.92 121.20 117.89 1i35 s ILE 53 Ca 0.72 -0.53 0.00 0.00 -0.51 0.00 0.00 60.65 60.33 1i35 s ILE 53 Cb -0.32 -0.46 0.00 0.00 0.15 0.00 0.00 42.46 41.83 1i35 s ILE 53 CO 0.37 -0.29 0.02 0.35 -2.11 0.00 0.00 174.94 173.29 1i35 n THR 54 N 1.64 0.00 0.00 4.00 -2.24 -1.26 -2.32 114.28 114.10 1i35 n THR 54 Ca -0.21 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1i35 n THR 54 Cb 0.56 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1i35 n THR 54 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i35 n GLU 55 N -0.20 0.00 -0.12 -0.78 1.02 -1.26 -4.24 120.64 115.05 1i35 n GLU 55 Ca 0.00 0.00 0.27 0.00 -0.02 0.00 0.00 57.16 57.41 1i35 n GLU 55 Cb 0.00 0.00 0.66 0.00 -0.02 0.00 0.00 31.44 32.08 1i35 n GLU 55 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1i35 h GLU 56 N 0.00 0.00 0.00 3.49 4.39 -1.98 3.08 114.58 123.56 1i35 h GLU 56 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1i35 h GLU 56 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1i35 h GLU 56 CO 0.00 0.00 -0.11 0.93 -1.16 0.00 0.00 179.01 178.67 1i35 h GLU 57 N 0.00 0.00 -0.03 2.33 4.39 -1.99 -3.24 114.58 116.04 1i35 h GLU 57 Ca 0.39 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.13 1i35 h GLU 57 Cb 1.99 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.60 1i35 h GLU 57 CO -0.00 0.11 -0.23 0.35 -1.16 0.00 0.00 179.01 178.07 1i35 h PHE 58 N 0.00 -0.62 0.02 4.33 3.57 0.53 0.59 116.94 125.35 1i35 h PHE 58 Ca -0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1i35 h PHE 58 Cb 0.21 0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1i35 h PHE 58 CO 0.00 -0.32 -0.01 -0.22 -2.23 0.00 0.00 178.31 175.53 1i35 h LYS 59 N -0.35 -0.02 -0.16 1.11 3.64 -1.69 -1.55 116.57 117.54 1i35 h LYS 59 Ca 0.07 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.34 1i35 h LYS 59 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1i35 h LYS 59 CO -0.23 0.39 -0.34 1.96 -2.27 0.00 0.00 179.45 178.95 1i35 h GLN 60 N -0.43 0.51 -0.08 1.90 7.50 -1.66 -2.09 115.11 120.75 1i35 h GLN 60 Ca -0.00 -0.34 -0.12 0.00 0.50 0.00 0.00 58.65 58.69 1i35 h GLN 60 Cb 0.41 0.05 0.01 0.00 0.05 0.00 0.00 27.48 28.00 1i35 h GLN 60 CO 0.00 0.95 -0.43 0.82 -1.50 0.00 0.00 178.83 178.67 1i35 h ILE 61 N 0.14 1.40 0.09 2.54 5.03 0.07 0.65 117.51 127.42 1i35 h ILE 61 Ca 0.00 -1.80 -0.00 0.00 -0.12 0.00 0.00 64.86 62.93 1i35 h ILE 61 Cb 0.95 2.28 0.00 0.00 -3.03 0.00 0.00 36.82 37.02 1i35 h ILE 61 CO 0.08 0.53 -0.04 0.00 -0.68 0.00 0.00 178.15 178.04 1i35 n PHE 63 N -4.98 0.37 -0.21 0.00 3.01 -0.79 -4.36 117.46 110.51 1i35 n PHE 63 Ca -0.08 0.11 -0.05 0.00 1.01 0.00 0.00 57.45 58.43 1i35 n PHE 63 Cb 0.21 -0.64 -0.05 0.00 -0.01 0.00 0.00 39.48 38.99 1i35 n PHE 63 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1i35 n ASN 64 N -1.82 -0.53 -4.72 4.37 2.85 0.23 -4.15 115.26 111.49 1i35 n ASN 64 Ca 0.06 0.90 -0.42 0.00 -0.11 0.00 0.00 54.58 55.01 1i35 n ASN 64 Cb 0.38 -0.12 -0.03 0.00 1.24 0.00 0.00 39.78 41.25 1i35 n ASN 64 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1i35 s SER 65 N -5.25 7.15 -0.24 1.20 0.15 -1.26 -4.94 113.70 110.50 1i35 s SER 65 Ca -0.06 2.00 -0.28 0.00 0.70 0.00 0.00 55.95 58.31 1i35 s SER 65 Cb 0.06 -2.58 -0.05 0.00 -1.71 0.00 0.00 66.02 61.73 1i35 s SER 65 CO 0.31 -0.39 2.18 -0.94 1.20 0.00 0.00 173.24 175.61 1i35 s SER 66 N 0.75 5.45 -0.19 5.45 1.04 -1.26 -4.93 113.70 120.02 1i35 s SER 66 Ca 0.56 1.79 -0.08 0.00 0.48 0.00 0.00 55.95 58.70 1i35 s SER 66 Cb -0.29 -2.51 0.08 0.00 0.10 0.00 0.00 66.02 63.40 1i35 s SER 66 CO 0.31 -1.98 0.42 -0.94 0.98 0.00 0.00 173.24 172.02 1i35 s SER 67 N 8.24 -0.32 0.00 7.02 1.04 -1.26 -5.09 113.70 123.33 1i35 s SER 67 Ca 0.98 0.96 0.00 0.00 0.48 0.00 0.00 55.95 58.38 1i35 s SER 67 Cb -0.31 1.18 0.00 0.00 0.10 0.00 0.00 66.02 66.99 1i35 s SER 67 CO 0.34 -0.22 0.76 -0.81 0.98 0.00 0.00 173.24 174.29 1i35 n PRO 68 N 5.07 0.00 0.00 4.02 -0.04 -1.26 -4.29 135.00 138.50 1i35 n PRO 68 Ca -0.13 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1i35 n PRO 68 Cb 0.51 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 1i35 n PRO 68 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1i35 n GLU 69 N -1.44 0.00 0.00 0.54 4.07 -1.26 -4.46 120.64 118.09 1i35 n GLU 69 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1i35 n GLU 69 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1i35 n GLU 69 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 1i35 n ARG 70 N -0.20 0.00 -3.65 5.31 -4.01 -1.26 -4.73 116.66 108.12 1i35 n ARG 70 Ca 0.00 0.00 -0.26 0.00 -1.04 0.00 0.00 57.85 56.55 1i35 n ARG 70 Cb 0.00 0.00 0.06 0.00 -3.04 0.00 0.00 32.46 29.48 1i35 n ARG 70 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 1i35 n ASP 71 N 0.24 -5.94 -3.77 2.89 -0.08 -1.26 -4.72 116.55 103.91 1i35 n ASP 71 Ca 0.00 -0.59 -0.13 0.00 -1.51 0.00 0.00 54.79 52.56 1i35 n ASP 71 Cb 0.00 -4.70 -0.10 0.00 2.34 0.00 0.00 41.12 38.67 1i35 n ASP 71 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1i35 s ARG 72 N -6.37 0.52 -0.29 -0.67 0.52 -1.20 -4.34 118.95 107.12 1i35 s ARG 72 Ca 0.59 0.07 0.03 0.00 -0.52 0.00 0.00 55.73 55.90 1i35 s ARG 72 Cb -0.27 0.24 0.20 0.00 0.52 0.00 0.00 34.95 35.63 1i35 s ARG 72 CO 0.73 -0.11 0.68 -0.48 0.02 0.00 0.00 175.30 176.14 1i35 s LEU 73 N -0.67 -1.40 -0.06 2.53 2.34 0.17 -4.58 118.68 117.02 1i35 s LEU 73 Ca -0.08 0.17 -0.26 0.00 0.06 0.00 0.00 54.13 54.03 1i35 s LEU 73 Cb -0.04 1.89 -0.03 0.00 -0.56 0.00 0.00 46.19 47.45 1i35 s LEU 73 CO 0.02 -0.26 0.81 0.27 -1.06 0.00 0.00 176.35 176.14 1i35 s ILE 74 N 2.86 4.97 -0.11 1.48 -4.36 -0.39 0.13 121.20 125.77 1i35 s ILE 74 Ca 0.14 1.68 -0.14 0.00 -0.26 0.00 0.00 60.65 62.07 1i35 s ILE 74 Cb -0.09 -4.15 -0.05 0.00 1.25 0.00 0.00 42.46 39.43 1i35 s ILE 74 CO -0.25 0.19 0.32 -0.63 0.24 0.00 0.00 174.94 174.81 1i35 s ILE 75 N 1.03 5.26 -0.02 8.37 -1.09 0.44 -2.04 121.20 133.15 1i35 s ILE 75 Ca 0.43 0.61 0.02 0.00 -2.23 0.00 0.00 60.65 59.47 1i35 s ILE 75 Cb -0.19 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.06 1i35 s ILE 75 CO 0.21 0.46 -0.06 0.68 -1.23 0.00 0.00 174.94 175.00 1i35 s VAL 76 N -0.08 0.54 0.00 2.92 -7.23 0.16 0.18 120.40 116.89 1i35 s VAL 76 Ca 0.19 -0.23 -0.03 0.00 -1.81 0.00 0.00 61.98 60.10 1i35 s VAL 76 Cb -0.14 -0.50 -0.14 0.00 0.56 0.00 0.00 36.38 36.16 1i35 s VAL 76 CO 0.07 0.18 2.21 -0.81 -0.31 0.00 0.00 175.10 176.44 1i35 n PRO 77 N 3.34 1.11 0.00 4.82 -0.04 -1.19 0.25 135.00 143.30 1i35 n PRO 77 Ca -0.18 -0.52 0.00 0.00 -0.04 0.00 0.00 63.50 62.76 1i35 n PRO 77 Cb 0.55 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 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 2.59 0.00 0.12 0.54 0.00 -1.10 -1.84 118.16 118.48 1i35 n LYS 78 Ca 0.22 0.00 0.06 0.00 0.00 0.00 0.00 58.31 58.59 1i35 n LYS 78 Cb 0.51 0.00 0.32 0.00 0.00 0.00 0.00 35.03 35.86 1i35 n LYS 78 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1i35 n GLU 79 N 0.00 0.08 -3.37 1.64 2.13 -1.26 -2.97 120.64 116.89 1i35 n GLU 79 Ca 0.00 0.53 -0.26 0.00 0.66 0.00 0.00 57.16 58.09 1i35 n GLU 79 Cb 0.00 -1.96 -0.09 0.00 0.27 0.00 0.00 31.44 29.66 1i35 n GLU 79 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1i35 n LYS 80 N -1.92 0.69 0.00 5.31 5.02 -0.76 -5.12 118.16 121.37 1i35 n LYS 80 Ca -0.01 -3.41 0.00 0.00 -2.02 0.00 0.00 58.31 52.87 1i35 n LYS 80 Cb 0.22 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1i35 n LYS 80 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1i35 n PRO 81 N 2.10 1.44 -4.52 1.97 -0.04 -1.16 -3.17 135.00 131.63 1i35 n PRO 81 Ca 0.26 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.50 1i35 n PRO 81 Cb 0.48 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.80 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 2.31 0.00 0.00 0.00 -0.02 -1.26 -4.92 135.00 131.11 1i35 n PRO 83 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1i35 n PRO 83 Cb 0.55 -0.63 0.00 0.00 -0.02 0.00 0.00 33.50 33.40 1i35 n PRO 83 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1i35 n SER 84 N -0.49 0.63 -0.37 2.55 7.64 -1.26 -4.80 113.62 117.52 1i35 n SER 84 Ca 0.00 -0.00 0.37 0.00 1.01 0.00 0.00 58.87 60.25 1i35 n SER 84 Cb 0.00 0.13 0.75 0.00 -1.01 0.00 0.00 64.21 64.08 1i35 n SER 84 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1i35 h PHE 85 N 0.00 0.04 -0.52 1.43 3.04 -1.91 0.58 116.94 119.60 1i35 h PHE 85 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1i35 h PHE 85 Cb 0.00 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.47 1i35 h PHE 85 CO 0.00 -0.00 0.34 1.05 -2.02 0.00 0.00 178.31 177.68 1i35 h GLU 86 N 0.02 0.69 0.10 1.11 4.11 -1.76 0.48 114.58 119.34 1i35 h GLU 86 Ca 0.62 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.99 1i35 h GLU 86 Cb 2.42 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.52 1i35 h GLU 86 CO -0.03 0.47 -0.05 -0.44 0.07 0.00 0.00 179.01 179.03 1i35 h ASP 87 N 0.71 -0.12 0.29 3.06 3.32 -0.18 -3.34 116.42 120.15 1i35 h ASP 87 Ca 0.19 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1i35 h ASP 87 Cb -0.07 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1i35 h ASP 87 CO -0.04 0.27 -0.14 0.25 -1.72 0.00 0.00 179.24 177.86 1i35 h LEU 88 N -0.52 -0.33 0.70 1.55 5.85 -1.43 -3.43 115.31 117.71 1i35 h LEU 88 Ca -0.01 -0.21 -0.30 0.00 0.84 0.00 0.00 57.88 58.19 1i35 h LEU 88 Cb 0.43 0.08 -0.12 0.00 0.37 0.00 0.00 40.66 41.42 1i35 h LEU 88 CO 0.02 0.11 -0.27 -1.14 -0.34 0.00 0.00 178.44 176.82 1i35 n ARG 89 N -5.07 -1.21 0.00 1.25 0.63 0.17 0.79 116.66 113.22 1i35 n ARG 89 Ca -0.09 1.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.85 1i35 n ARG 89 Cb 0.27 -5.21 0.00 0.00 0.45 0.00 0.00 32.46 27.96 1i35 n ARG 89 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1i35 n ARG 90 N -2.20 0.00 -0.04 -0.14 5.12 -1.26 -4.48 116.66 113.66 1i35 n ARG 90 Ca -0.15 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.72 1i35 n ARG 90 Cb 0.53 -0.38 -0.04 0.00 -1.16 0.00 0.00 32.46 31.41 1i35 n ARG 90 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1i35 n SER 91 N 0.78 3.41 0.00 0.55 3.41 -1.14 -5.01 113.62 115.62 1i35 n SER 91 Ca 0.00 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1i35 n SER 91 Cb 0.00 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1i35 n SER 91 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 1i35 n TRP 92 N -2.60 0.00 -0.48 7.33 -0.00 0.24 -4.67 117.44 117.25 1i35 n TRP 92 Ca -0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 57.50 57.37 1i35 n TRP 92 Cb 0.66 0.00 -0.01 0.00 -0.00 0.00 0.00 31.31 31.97 1i35 n TRP 92 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 177.69 176.84 1i35 n GLU 93 N 0.00 0.96 0.00 5.87 0.28 -1.26 -3.91 120.64 122.59 1i35 n GLU 93 Ca 0.00 -0.03 0.13 0.00 -0.16 0.00 0.00 57.16 57.10 1i35 n GLU 93 Cb 0.00 -1.06 0.40 0.00 1.43 0.00 0.00 31.44 32.21 1i35 n GLU 93 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 1i35 n ILE 94 N 1.57 0.00 0.00 3.84 0.00 -1.26 -5.25 119.36 118.25 1i35 n ILE 94 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 62.75 62.52 1i35 n ILE 94 Cb 0.48 0.62 0.00 0.00 0.00 0.00 0.00 39.64 40.74 1i35 n ILE 94 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93