#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cm2 s PHE 2 N 0.00 0.40 0.01 1.12 5.36 0.07 -4.98 117.98 119.97 1cm2 s PHE 2 Ca 0.00 -0.07 -0.00 0.00 -0.96 0.00 0.00 56.93 55.90 1cm2 s PHE 2 Cb 0.00 -0.34 -0.01 0.00 -0.34 0.00 0.00 43.02 42.33 1cm2 s PHE 2 CO 0.00 -0.06 -0.01 -0.65 -1.46 0.00 0.00 175.22 173.04 1cm2 s GLN 3 N 0.31 0.19 -0.01 10.12 -0.21 -1.26 -0.63 119.66 128.17 1cm2 s GLN 3 Ca -0.03 -0.34 -0.16 0.00 0.02 0.00 0.00 55.36 54.85 1cm2 s GLN 3 Cb -0.06 0.07 0.03 0.00 1.00 0.00 0.00 33.01 34.04 1cm2 s GLN 3 CO -0.01 -0.03 0.33 -0.65 -2.12 0.00 0.00 175.29 172.82 1cm2 s GLN 4 N -0.84 0.70 0.14 2.91 -1.52 -0.88 -5.00 119.66 115.16 1cm2 s GLN 4 Ca -0.09 -0.18 0.02 0.00 -1.95 0.00 0.00 55.36 53.17 1cm2 s GLN 4 Cb -0.06 0.31 -0.04 0.00 -0.22 0.00 0.00 33.01 33.01 1cm2 s GLN 4 CO -0.00 -0.20 0.26 -2.00 -0.25 0.00 0.00 175.29 173.10 1cm2 s GLU 5 N -1.36 3.40 -0.20 2.91 2.12 -1.26 -1.41 118.70 122.89 1cm2 s GLU 5 Ca -0.13 -0.60 -0.20 0.00 0.36 0.00 0.00 54.97 54.40 1cm2 s GLU 5 Cb -0.05 -2.95 0.05 0.00 0.26 0.00 0.00 34.13 31.45 1cm2 s GLU 5 CO 0.04 0.53 0.56 0.54 -0.54 0.00 0.00 175.26 176.39 1cm2 s VAL 6 N -1.71 0.00 -0.22 3.70 0.11 -0.52 -4.99 120.40 116.78 1cm2 s VAL 6 Ca 0.34 -0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 59.29 1cm2 s VAL 6 Cb -0.11 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 1cm2 s VAL 6 CO 0.28 -0.01 0.11 -0.89 -3.33 0.00 0.00 175.10 171.26 1cm2 s THR 7 N 0.19 5.01 -0.25 5.04 2.01 -1.26 -0.86 115.64 125.52 1cm2 s THR 7 Ca -0.01 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.76 1cm2 s THR 7 Cb -0.04 -3.31 -0.00 0.00 0.01 0.00 0.00 72.50 69.16 1cm2 s THR 7 CO 0.01 0.39 1.26 -0.63 -0.69 0.00 0.00 174.62 174.96 1cm2 s ILE 8 N 0.86 4.24 -1.26 1.82 1.01 -0.03 -4.80 121.20 123.04 1cm2 s ILE 8 Ca 0.06 1.44 0.13 0.00 0.00 0.00 0.00 60.65 62.28 1cm2 s ILE 8 Cb -0.13 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.22 1cm2 s ILE 8 CO 0.03 -0.35 0.77 0.35 0.00 0.00 0.00 174.94 175.73 1cm2 n THR 9 N 5.86 0.00 -2.16 2.92 -2.24 -1.26 -0.38 114.28 117.02 1cm2 n THR 9 Ca 0.14 -0.38 -0.39 0.00 -2.27 0.00 0.00 64.05 61.15 1cm2 n THR 9 Cb 0.46 1.17 -0.01 0.00 -2.10 0.00 0.00 70.33 69.85 1cm2 n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cm2 s ALA 10 N -1.56 3.15 0.24 6.98 0.00 -1.26 -4.87 121.76 124.44 1cm2 s ALA 10 Ca 0.11 1.09 -0.05 0.00 0.00 0.00 0.00 51.96 53.11 1cm2 s ALA 10 Cb 0.11 -3.43 0.36 0.00 0.00 0.00 0.00 23.12 20.15 1cm2 s ALA 10 CO 0.31 -0.72 1.83 -1.35 0.00 0.00 0.00 175.76 175.83 1cm2 h PRO 11 N 2.50 0.87 -0.65 0.00 0.11 -1.95 -1.70 132.00 131.17 1cm2 h PRO 11 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1cm2 h PRO 11 Cb 1.25 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1cm2 h PRO 11 CO 0.62 0.57 0.00 0.09 -0.21 0.00 0.00 178.00 179.07 1cm2 n ASN 12 N -4.67 4.54 0.00 -2.05 5.03 -1.26 -4.46 115.26 112.38 1cm2 n ASN 12 Ca 0.13 -2.47 0.00 0.00 0.87 0.00 0.00 54.58 53.11 1cm2 n ASN 12 Cb 0.22 -0.57 0.00 0.00 -1.02 0.00 0.00 39.78 38.41 1cm2 n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1cm2 n GLY 13 N 1.02 2.56 3.26 7.41 0.00 -0.64 -3.33 105.19 115.46 1cm2 n GLY 13 Ca 0.24 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 1cm2 n GLY 13 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1cm2 n LEU 14 N 0.00 5.58 0.00 0.99 7.94 -0.16 -4.79 117.00 126.57 1cm2 n LEU 14 Ca 0.00 -5.08 -0.01 0.00 -1.11 0.00 0.00 56.01 49.81 1cm2 n LEU 14 Cb 0.00 -1.41 0.01 0.00 0.53 0.00 0.00 43.42 42.54 1cm2 n LEU 14 CO 0.00 1.43 0.02 -0.90 -1.11 0.00 0.00 177.39 176.84 1cm2 n ASP 15 N 2.39 0.02 -0.03 1.96 3.85 -1.21 -4.47 116.55 119.07 1cm2 n ASP 15 Ca 0.24 -1.03 -0.01 0.00 -0.71 0.00 0.00 54.79 53.29 1cm2 n ASP 15 Cb 0.38 -0.03 -0.01 0.00 -1.35 0.00 0.00 41.12 40.11 1cm2 n ASP 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 1cm2 n THR 16 N -1.76 -0.05 0.01 2.12 -1.04 -1.26 -0.52 114.28 111.78 1cm2 n THR 16 Ca 0.01 1.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.89 1cm2 n THR 16 Cb 0.02 -1.31 -0.07 0.00 -1.82 0.00 0.00 70.33 67.15 1cm2 n THR 16 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1cm2 h ARG 17 N 0.00 0.05 -0.92 -2.82 2.43 -2.00 -2.43 114.38 108.68 1cm2 h ARG 17 Ca 0.01 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1cm2 h ARG 17 Cb 0.03 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 1cm2 h ARG 17 CO -0.07 0.15 0.53 -1.35 -1.51 0.00 0.00 179.97 177.72 1cm2 h PRO 18 N -0.07 1.27 -0.58 0.20 0.11 -1.84 -2.34 132.00 128.74 1cm2 h PRO 18 Ca 0.01 -0.13 0.01 0.00 0.11 0.00 0.00 66.00 66.00 1cm2 h PRO 18 Cb 0.12 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 30.94 1cm2 h PRO 18 CO -0.00 0.91 0.39 0.00 -0.21 0.00 0.00 178.00 179.08 1cm2 h ALA 19 N 1.29 0.74 -0.74 -0.75 0.00 -0.74 0.29 119.26 119.34 1cm2 h ALA 19 Ca 0.33 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1cm2 h ALA 19 Cb -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1cm2 h ALA 19 CO -0.06 0.17 0.31 0.00 0.00 0.00 0.00 179.25 179.67 1cm2 h ALA 20 N 1.22 0.96 -0.28 0.00 0.00 -1.07 -0.82 119.26 119.27 1cm2 h ALA 20 Ca 0.22 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1cm2 h ALA 20 Cb -0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1cm2 h ALA 20 CO -0.05 0.58 -0.44 1.96 0.00 0.00 0.00 179.25 181.30 1cm2 h GLN 21 N 1.07 0.70 0.01 0.00 4.20 -1.12 -1.58 115.11 118.39 1cm2 h GLN 21 Ca 0.25 -0.38 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 1cm2 h GLN 21 Cb 0.20 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1cm2 h GLN 21 CO -0.02 1.00 -0.01 0.35 -0.67 0.00 0.00 178.83 179.48 1cm2 h PHE 22 N 0.56 -0.02 -0.94 2.96 3.04 -0.63 -0.04 116.94 121.87 1cm2 h PHE 22 Ca 0.04 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.00 1cm2 h PHE 22 Cb 0.99 0.01 -0.05 0.00 2.56 0.00 0.00 35.95 39.46 1cm2 h PHE 22 CO 0.05 0.12 0.62 0.28 -2.02 0.00 0.00 178.31 177.36 1cm2 h VAL 23 N -0.15 1.24 -0.58 1.41 2.07 -1.15 0.32 116.25 119.42 1cm2 h VAL 23 Ca -0.00 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 1cm2 h VAL 23 Cb 0.15 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.75 1cm2 h VAL 23 CO 0.00 0.24 0.22 0.11 0.02 0.00 0.00 177.57 178.16 1cm2 h LYS 24 N 1.28 0.88 -0.45 1.57 1.57 -1.01 -1.75 116.57 118.65 1cm2 h LYS 24 Ca 0.34 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.89 1cm2 h LYS 24 Cb -0.14 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 1cm2 h LYS 24 CO -0.07 0.76 0.01 0.93 -0.57 0.00 0.00 179.45 180.51 1cm2 h GLU 25 N 0.80 0.79 -0.58 3.15 3.07 -0.37 -2.99 114.58 118.46 1cm2 h GLU 25 Ca 0.19 -0.25 0.02 0.00 -0.50 0.00 0.00 59.36 58.82 1cm2 h GLU 25 Cb 0.22 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.02 1cm2 h GLU 25 CO -0.01 0.85 0.39 0.00 -1.40 0.00 0.00 179.01 178.83 1cm2 h ALA 26 N 0.92 1.63 0.00 3.43 0.00 -0.73 -0.62 119.26 123.88 1cm2 h ALA 26 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1cm2 h ALA 26 Cb 0.48 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1cm2 h ALA 26 CO 0.02 0.32 0.00 1.63 0.00 0.00 0.00 179.25 181.23 1cm2 n LYS 27 N -4.46 0.17 0.00 0.00 5.02 -0.68 -2.38 118.16 115.83 1cm2 n LYS 27 Ca 0.06 0.43 0.13 0.00 -2.02 0.00 0.00 58.31 56.91 1cm2 n LYS 27 Cb 0.08 -1.84 0.61 0.00 -0.02 0.00 0.00 35.03 33.86 1cm2 n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cm2 n GLY 28 N -0.17 -1.30 3.62 0.72 0.00 -0.24 -4.77 105.19 103.04 1cm2 n GLY 28 Ca 0.02 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1cm2 n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cm2 s PHE 29 N -2.81 2.90 0.07 1.61 0.08 -1.00 -5.04 117.98 113.79 1cm2 s PHE 29 Ca 0.18 -0.05 0.09 0.00 0.12 0.00 0.00 56.93 57.28 1cm2 s PHE 29 Cb 0.18 -1.57 -0.11 0.00 -0.57 0.00 0.00 43.02 40.95 1cm2 s PHE 29 CO 0.45 0.41 1.34 1.79 -0.10 0.00 0.00 175.22 179.11 1cm2 h THR 30 N 3.47 1.51 -3.63 0.64 1.35 -1.86 -3.47 112.91 110.92 1cm2 h THR 30 Ca -0.48 -3.09 -0.56 0.00 -0.55 0.00 0.00 66.41 61.73 1cm2 h THR 30 Cb 1.17 2.71 0.18 0.00 -1.73 0.00 0.00 68.15 70.48 1cm2 h THR 30 CO 0.55 0.85 0.00 -1.20 -0.25 0.00 0.00 175.52 175.47 1cm2 n SER 31 N -3.35 0.16 -4.64 5.36 7.64 -1.26 -4.92 113.62 112.61 1cm2 n SER 31 Ca 0.00 0.67 -0.43 0.00 1.01 0.00 0.00 58.87 60.13 1cm2 n SER 31 Cb 0.88 -1.36 -0.03 0.00 -1.01 0.00 0.00 64.21 62.68 1cm2 n SER 31 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1cm2 s GLU 32 N -3.14 4.10 -0.09 1.43 2.12 -0.63 -4.88 118.70 117.60 1cm2 s GLU 32 Ca 0.72 1.04 0.01 0.00 0.36 0.00 0.00 54.97 57.11 1cm2 s GLU 32 Cb -0.36 -3.71 -0.02 0.00 0.26 0.00 0.00 34.13 30.31 1cm2 s GLU 32 CO 0.51 -0.78 -0.12 0.42 -0.54 0.00 0.00 175.26 174.75 1cm2 s ILE 33 N 3.37 3.16 -0.02 -3.70 1.01 -1.26 -1.49 121.20 122.27 1cm2 s ILE 33 Ca 0.42 -0.65 0.05 0.00 0.00 0.00 0.00 60.65 60.47 1cm2 s ILE 33 Cb -0.13 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 1cm2 s ILE 33 CO 0.12 0.56 -0.19 -0.89 0.00 0.00 0.00 174.94 174.54 1cm2 s THR 34 N -0.19 1.50 -0.12 2.92 2.01 0.19 -1.28 115.64 120.66 1cm2 s THR 34 Ca 0.00 -0.79 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 1cm2 s THR 34 Cb -0.13 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.10 1cm2 s THR 34 CO 0.03 0.43 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.61 1cm2 s VAL 35 N -0.29 3.45 -0.07 3.82 1.01 0.40 -1.28 120.40 127.44 1cm2 s VAL 35 Ca 0.04 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1cm2 s VAL 35 Cb -0.09 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.84 1cm2 s VAL 35 CO 0.00 0.53 -0.17 -0.89 0.00 0.00 0.00 175.10 174.57 1cm2 s THR 36 N 0.10 1.49 -0.07 3.92 2.01 -0.11 -0.97 115.64 122.00 1cm2 s THR 36 Ca -0.03 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 1cm2 s THR 36 Cb -0.14 -1.31 0.03 0.00 0.01 0.00 0.00 72.50 71.08 1cm2 s THR 36 CO 0.04 0.43 -0.02 -0.55 -0.69 0.00 0.00 174.62 173.83 1cm2 s SER 37 N 0.47 1.53 -1.53 3.53 0.15 0.43 -1.60 113.70 116.68 1cm2 s SER 37 Ca -0.15 -0.13 -0.14 0.00 0.70 0.00 0.00 55.95 56.24 1cm2 s SER 37 Cb -0.16 -0.50 0.08 0.00 -1.71 0.00 0.00 66.02 63.73 1cm2 s SER 37 CO 0.05 -0.15 1.00 -3.20 1.20 0.00 0.00 173.24 172.14 1cm2 n ASN 38 N 4.88 -4.93 0.00 5.45 4.05 -1.26 -0.78 115.26 122.66 1cm2 n ASN 38 Ca -0.12 -0.77 0.00 0.00 0.45 0.00 0.00 54.58 54.15 1cm2 n ASN 38 Cb 0.50 -3.94 0.00 0.00 1.23 0.00 0.00 39.78 37.57 1cm2 n ASN 38 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1cm2 n GLY 39 N -1.71 2.84 3.67 8.20 0.00 -1.26 -5.00 105.19 111.94 1cm2 n GLY 39 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1cm2 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cm2 s LYS 40 N -0.17 4.28 0.11 1.61 1.02 0.04 -5.05 119.74 121.57 1cm2 s LYS 40 Ca 0.00 0.77 0.05 0.00 0.02 0.00 0.00 55.97 56.81 1cm2 s LYS 40 Cb 0.00 -3.55 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 1cm2 s LYS 40 CO 0.00 -0.20 0.01 -1.12 -0.92 0.00 0.00 175.35 173.12 1cm2 s SER 41 N 1.10 5.03 -0.02 2.83 0.01 -1.26 -0.43 113.70 120.95 1cm2 s SER 41 Ca 0.33 -0.20 -0.20 0.00 1.31 0.00 0.00 55.95 57.19 1cm2 s SER 41 Cb -0.16 -1.19 0.04 0.00 0.21 0.00 0.00 66.02 64.91 1cm2 s SER 41 CO 0.12 0.16 0.42 0.00 0.41 0.00 0.00 173.24 174.35 1cm2 s ALA 42 N -1.39 -1.09 0.28 1.44 0.00 -0.14 -4.98 121.76 115.88 1cm2 s ALA 42 Ca 0.26 0.63 -0.29 0.00 0.00 0.00 0.00 51.96 52.56 1cm2 s ALA 42 Cb -0.11 0.06 -0.10 0.00 0.00 0.00 0.00 23.12 22.97 1cm2 s ALA 42 CO 0.19 -0.30 1.36 0.45 0.00 0.00 0.00 175.76 177.46 1cm2 s SER 43 N -1.30 6.73 0.30 0.00 0.15 -1.26 -0.45 113.70 117.87 1cm2 s SER 43 Ca -0.13 2.65 0.26 0.00 0.70 0.00 0.00 55.95 59.43 1cm2 s SER 43 Cb -0.04 -2.63 1.01 0.00 -1.71 0.00 0.00 66.02 62.65 1cm2 s SER 43 CO 0.06 -0.61 1.76 0.00 1.20 0.00 0.00 173.24 175.66 1cm2 h ALA 44 N 4.27 1.00 -0.57 5.45 0.00 -1.51 -2.97 119.26 124.93 1cm2 h ALA 44 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1cm2 h ALA 44 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1cm2 h ALA 44 CO 0.72 0.00 0.00 1.63 0.00 0.00 0.00 179.25 181.60 1cm2 n LYS 45 N -2.40 2.31 -3.91 0.00 5.02 -1.26 -4.41 118.16 113.50 1cm2 n LYS 45 Ca 0.02 -2.04 -0.30 0.00 -2.02 0.00 0.00 58.31 53.97 1cm2 n LYS 45 Cb 0.28 -1.44 -0.15 0.00 -0.02 0.00 0.00 35.03 33.69 1cm2 n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1cm2 s SER 46 N -1.00 3.98 0.21 4.39 0.15 -1.12 -4.99 113.70 115.32 1cm2 s SER 46 Ca 0.38 -1.38 -0.09 0.00 0.70 0.00 0.00 55.95 55.55 1cm2 s SER 46 Cb 0.20 -1.17 0.17 0.00 -1.71 0.00 0.00 66.02 63.50 1cm2 s SER 46 CO 0.26 -0.29 1.85 0.25 1.20 0.00 0.00 173.24 176.51 1cm2 h LEU 47 N 7.93 0.96 -0.70 3.45 7.12 -1.87 -1.93 115.31 130.28 1cm2 h LEU 47 Ca -0.15 -0.07 0.03 0.00 0.13 0.00 0.00 57.88 57.81 1cm2 h LEU 47 Cb 1.06 -0.24 -0.04 0.00 -0.53 0.00 0.00 40.66 40.90 1cm2 h LEU 47 CO 0.43 0.76 0.44 -0.26 -0.13 0.00 0.00 178.44 179.68 1cm2 h PHE 48 N 1.09 0.83 -0.18 1.25 0.04 -1.96 -1.37 116.94 116.63 1cm2 h PHE 48 Ca 0.28 0.02 -0.21 0.00 2.80 0.00 0.00 57.97 60.87 1cm2 h PHE 48 Cb -0.02 -0.27 0.01 0.00 2.20 0.00 0.00 35.95 37.86 1cm2 h PHE 48 CO -0.00 0.48 -0.71 0.87 -0.60 0.00 0.00 178.31 178.35 1cm2 h LYS 49 N 0.87 0.78 -0.25 1.51 1.57 -1.87 -3.13 116.57 116.04 1cm2 h LYS 49 Ca 0.28 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1cm2 h LYS 49 Cb 0.01 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1cm2 h LYS 49 CO -0.10 1.21 0.16 -0.07 -0.57 0.00 0.00 179.45 180.07 1cm2 h LEU 50 N 0.55 0.29 -0.83 2.94 3.38 -0.98 -1.08 115.31 119.58 1cm2 h LEU 50 Ca -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1cm2 h LEU 50 Cb 1.33 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1cm2 h LEU 50 CO 0.15 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.90 1cm2 n GLN 51 N -4.49 0.15 0.05 1.13 6.02 -0.55 -1.58 117.38 118.11 1cm2 n GLN 51 Ca 0.01 0.48 0.12 0.00 -0.01 0.00 0.00 57.00 57.60 1cm2 n GLN 51 Cb 0.08 -1.84 0.23 0.00 1.02 0.00 0.00 30.24 29.72 1cm2 n GLN 51 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1cm2 n THR 52 N -2.13 0.29 -3.22 5.09 -2.24 -0.41 -4.88 114.28 106.77 1cm2 n THR 52 Ca 0.01 -0.21 -0.32 0.00 -2.27 0.00 0.00 64.05 61.26 1cm2 n THR 52 Cb 0.15 -0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.22 1cm2 n THR 52 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1cm2 s LEU 53 N -3.96 4.07 -0.78 3.22 1.02 -0.61 -5.02 118.68 116.63 1cm2 s LEU 53 Ca 0.08 1.08 -0.23 0.00 0.02 0.00 0.00 54.13 55.08 1cm2 s LEU 53 Cb 0.14 -3.88 0.07 0.00 0.02 0.00 0.00 46.19 42.54 1cm2 s LEU 53 CO 0.70 -0.18 1.12 -0.83 0.02 0.00 0.00 176.35 177.18 1cm2 s GLY 54 N -2.49 1.37 -0.63 -3.19 0.00 -1.26 -4.87 107.32 96.25 1cm2 s GLY 54 Ca 0.50 -1.99 0.03 0.00 0.00 0.00 0.00 44.72 43.27 1cm2 s GLY 54 CO 0.22 2.25 1.25 1.04 0.00 0.00 0.00 173.10 177.86 1cm2 n LEU 55 N 7.96 5.32 -5.01 0.66 4.77 -1.26 -4.91 117.00 124.53 1cm2 n LEU 55 Ca 0.08 -5.40 -0.21 0.00 -0.03 0.00 0.00 56.01 50.45 1cm2 n LEU 55 Cb 0.48 -0.67 0.07 0.00 -2.33 0.00 0.00 43.42 40.97 1cm2 n LEU 55 CO 0.63 2.21 0.41 0.42 -1.33 0.00 0.00 177.39 179.73 1cm2 s THR 56 N -4.87 2.26 0.30 -5.08 -4.23 -1.26 -0.99 115.64 101.77 1cm2 s THR 56 Ca 0.48 -0.81 -0.30 0.00 -1.18 0.00 0.00 61.69 59.88 1cm2 s THR 56 Cb 0.32 -2.45 -0.12 0.00 1.34 0.00 0.00 72.50 71.60 1cm2 s THR 56 CO -0.19 0.00 1.52 1.67 -0.54 0.00 0.00 174.62 177.08 1cm2 n GLN 57 N -2.46 2.53 -0.04 3.99 7.27 -1.26 -2.14 117.38 125.27 1cm2 n GLN 57 Ca 0.14 0.90 0.00 0.00 0.07 0.00 0.00 57.00 58.11 1cm2 n GLN 57 Cb 0.61 -2.63 0.00 0.00 2.41 0.00 0.00 30.24 30.63 1cm2 n GLN 57 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1cm2 n GLY 58 N 1.75 0.91 3.71 1.69 0.00 0.49 -5.00 105.19 108.74 1cm2 n GLY 58 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1cm2 n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cm2 s THR 59 N -2.36 3.87 -0.28 2.61 2.01 -0.91 -4.77 115.64 115.80 1cm2 s THR 59 Ca 0.00 1.33 -0.15 0.00 0.31 0.00 0.00 61.69 63.18 1cm2 s THR 59 Cb 0.00 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1cm2 s THR 59 CO 0.00 0.09 0.37 -0.69 -0.69 0.00 0.00 174.62 173.70 1cm2 s VAL 60 N 1.25 5.17 0.08 3.82 1.01 -1.26 -0.86 120.40 129.62 1cm2 s VAL 60 Ca 0.60 0.50 0.08 0.00 0.00 0.00 0.00 61.98 63.16 1cm2 s VAL 60 Cb -0.31 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1cm2 s VAL 60 CO 0.29 0.13 -0.17 0.68 0.00 0.00 0.00 175.10 176.03 1cm2 s VAL 61 N 2.06 2.89 -0.16 2.92 -7.23 -0.04 -4.54 120.40 116.31 1cm2 s VAL 61 Ca 0.14 -1.31 -0.04 0.00 -1.81 0.00 0.00 61.98 58.97 1cm2 s VAL 61 Cb -0.16 -2.28 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 1cm2 s VAL 61 CO 0.10 0.22 -0.03 -0.89 -0.31 0.00 0.00 175.10 174.19 1cm2 s THR 62 N -1.04 3.90 -0.24 5.32 2.01 -0.63 -1.43 115.64 123.53 1cm2 s THR 62 Ca 0.17 -0.35 -0.05 0.00 0.31 0.00 0.00 61.69 61.76 1cm2 s THR 62 Cb -0.11 -2.72 -0.01 0.00 0.01 0.00 0.00 72.50 69.68 1cm2 s THR 62 CO 0.08 0.48 0.00 -0.63 -0.69 0.00 0.00 174.62 173.87 1cm2 s ILE 63 N 0.47 3.71 0.03 1.82 1.01 -0.50 -0.93 121.20 126.80 1cm2 s ILE 63 Ca -0.03 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.27 1cm2 s ILE 63 Cb -0.14 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 1cm2 s ILE 63 CO 0.03 0.35 -0.24 -0.44 0.00 0.00 0.00 174.94 174.64 1cm2 s SER 64 N 1.52 3.29 -0.01 3.58 0.01 -0.40 -2.07 113.70 119.62 1cm2 s SER 64 Ca 0.05 -0.52 -0.03 0.00 1.31 0.00 0.00 55.95 56.76 1cm2 s SER 64 Cb -0.15 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 65.70 1cm2 s SER 64 CO -0.01 0.27 0.06 0.00 0.41 0.00 0.00 173.24 173.98 1cm2 s ALA 65 N -0.79 -0.14 -0.17 1.44 0.00 0.19 -0.64 121.76 121.66 1cm2 s ALA 65 Ca 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 1cm2 s ALA 65 Cb -0.10 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.05 1cm2 s ALA 65 CO 0.02 -0.09 0.02 -2.00 0.00 0.00 0.00 175.76 173.71 1cm2 s GLU 66 N -0.50 0.75 0.00 0.00 2.56 -0.56 -0.75 118.70 120.19 1cm2 s GLU 66 Ca -0.06 -0.37 0.00 0.00 0.00 0.00 0.00 54.97 54.55 1cm2 s GLU 66 Cb -0.04 -1.94 0.00 0.00 2.00 0.00 0.00 34.13 34.15 1cm2 s GLU 66 CO 0.00 -0.57 0.00 0.41 -0.56 0.00 0.00 175.26 174.54 1cm2 n GLY 67 N 5.04 -1.33 0.34 -1.50 0.00 -1.26 -1.61 105.19 104.87 1cm2 n GLY 67 Ca -0.09 -1.14 0.01 0.00 0.00 0.00 0.00 46.02 44.79 1cm2 n GLY 67 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1cm2 h GLU 68 N 0.00 0.92 -0.42 1.61 4.81 -1.97 -2.95 114.58 116.57 1cm2 h GLU 68 Ca 0.00 -0.07 -0.31 0.00 -0.13 0.00 0.00 59.36 58.85 1cm2 h GLU 68 Cb 0.00 -0.20 -0.25 0.00 0.63 0.00 0.00 28.75 28.93 1cm2 h GLU 68 CO 0.00 0.63 -0.70 -0.40 -0.73 0.00 0.00 179.01 177.81 1cm2 n ASP 69 N -4.41 3.47 -0.24 1.04 5.68 -1.26 -4.88 116.55 115.96 1cm2 n ASP 69 Ca 0.07 -3.75 -0.00 0.00 -0.50 0.00 0.00 54.79 50.61 1cm2 n ASP 69 Cb 0.06 -0.42 0.12 0.00 -1.14 0.00 0.00 41.12 39.73 1cm2 n ASP 69 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1cm2 h GLU 70 N 1.69 0.63 0.00 0.11 4.11 -1.85 -0.58 114.58 118.69 1cm2 h GLU 70 Ca 0.20 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.59 1cm2 h GLU 70 Cb 1.32 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1cm2 h GLU 70 CO 0.43 0.41 -0.00 0.37 0.07 0.00 0.00 179.01 180.29 1cm2 h GLN 71 N 0.64 -0.00 -0.78 1.06 4.15 -1.90 -2.57 115.11 115.71 1cm2 h GLN 71 Ca 0.32 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.76 1cm2 h GLN 71 Cb 0.27 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.92 1cm2 h GLN 71 CO -0.22 0.39 0.52 -0.22 -1.93 0.00 0.00 178.83 177.36 1cm2 h LYS 72 N -0.40 0.99 -0.13 1.69 3.64 -1.93 -1.08 116.57 119.36 1cm2 h LYS 72 Ca -0.00 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1cm2 h LYS 72 Cb 0.39 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1cm2 h LYS 72 CO 0.00 0.65 0.05 0.00 -2.27 0.00 0.00 179.45 177.89 1cm2 h ALA 73 N 1.53 0.17 -0.29 5.00 0.00 -1.05 -1.32 119.26 123.29 1cm2 h ALA 73 Ca 0.30 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1cm2 h ALA 73 Cb -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1cm2 h ALA 73 CO -0.07 -0.25 0.04 0.28 0.00 0.00 0.00 179.25 179.24 1cm2 h VAL 74 N 0.05 1.24 -0.83 0.00 2.07 -1.18 -1.65 116.25 115.96 1cm2 h VAL 74 Ca 0.04 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 66.77 1cm2 h VAL 74 Cb 0.16 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1cm2 h VAL 74 CO -0.00 0.27 0.53 -0.33 0.02 0.00 0.00 177.57 178.05 1cm2 h GLU 75 N 0.31 0.99 -0.23 1.57 5.08 -1.11 0.29 114.58 121.47 1cm2 h GLU 75 Ca 0.09 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.23 1cm2 h GLU 75 Cb 0.36 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1cm2 h GLU 75 CO 0.01 0.65 -0.47 1.25 -1.00 0.00 0.00 179.01 179.45 1cm2 h HIS 76 N 1.02 0.92 -0.06 4.33 6.17 -1.13 -2.85 115.15 123.54 1cm2 h HIS 76 Ca 0.33 -0.34 -0.14 0.00 0.71 0.00 0.00 60.37 60.94 1cm2 h HIS 76 Cb 0.03 -0.17 -0.01 0.00 2.52 0.00 0.00 27.41 29.78 1cm2 h HIS 76 CO -0.03 1.13 -0.59 -0.07 0.71 0.00 0.00 177.93 179.07 1cm2 h LEU 77 N 0.45 0.24 -0.43 0.26 3.38 -1.02 -1.26 115.31 116.93 1cm2 h LEU 77 Ca 0.01 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1cm2 h LEU 77 Cb 1.08 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1cm2 h LEU 77 CO 0.10 0.78 0.04 0.58 0.09 0.00 0.00 178.44 180.03 1cm2 h VAL 78 N 0.16 1.25 -0.39 1.22 2.07 -0.97 -0.37 116.25 119.22 1cm2 h VAL 78 Ca -0.00 -0.95 -0.12 0.00 0.82 0.00 0.00 66.70 66.45 1cm2 h VAL 78 Cb 1.09 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1cm2 h VAL 78 CO 0.09 0.33 -0.22 0.50 0.02 0.00 0.00 177.57 178.28 1cm2 h LYS 79 N 0.58 0.85 -0.50 1.57 3.64 -1.41 -2.07 116.57 119.23 1cm2 h LYS 79 Ca 0.13 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 1cm2 h LYS 79 Cb 0.42 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1cm2 h LYS 79 CO 0.01 1.02 0.27 1.25 -2.27 0.00 0.00 179.45 179.73 1cm2 h LEU 80 N 0.65 0.63 -1.39 5.20 5.85 -1.07 -0.58 115.31 124.61 1cm2 h LEU 80 Ca 0.08 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1cm2 h LEU 80 Cb 0.79 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1cm2 h LEU 80 CO 0.06 0.55 -0.18 -0.03 -0.34 0.00 0.00 178.44 178.51 1cm2 h MET 81 N 0.66 0.18 -0.04 1.25 4.05 -0.96 0.11 114.93 120.19 1cm2 h MET 81 Ca 0.18 -0.05 -0.17 0.00 -0.28 0.00 0.00 59.70 59.38 1cm2 h MET 81 Cb 0.07 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 1cm2 h MET 81 CO -0.03 0.36 -0.72 0.00 0.23 0.00 0.00 176.91 176.76 1cm2 h ALA 82 N 1.65 0.71 0.19 0.39 0.00 -0.71 -3.29 119.26 118.19 1cm2 h ALA 82 Ca 0.03 -0.62 -0.30 0.00 0.00 0.00 0.00 54.91 54.02 1cm2 h ALA 82 Cb 0.42 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.16 1cm2 h ALA 82 CO 0.03 0.81 -1.30 0.93 0.00 0.00 0.00 179.25 179.72 1cm2 h GLU 83 N 0.15 0.55 -6.30 0.00 5.08 -0.48 -3.47 114.58 110.11 1cm2 h GLU 83 Ca -0.02 -0.84 -0.65 0.00 -1.00 0.00 0.00 59.36 56.85 1cm2 h GLU 83 Cb 1.28 0.30 0.09 0.00 0.50 0.00 0.00 28.75 30.92 1cm2 h GLU 83 CO 0.11 1.39 0.07 1.28 -1.00 0.00 0.00 179.01 180.87 1cm2 n LEU 84 N -3.81 1.04 -0.12 1.33 4.32 0.32 -5.08 117.00 115.00 1cm2 n LEU 84 Ca -0.15 1.15 0.01 0.00 -0.02 0.00 0.00 56.01 57.00 1cm2 n LEU 84 Cb 1.02 -1.18 0.01 0.00 -1.62 0.00 0.00 43.42 41.66 1cm2 n LEU 84 CO 0.58 -1.66 0.30 -1.84 -1.22 0.00 0.00 177.39 173.55