#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ea9 n SER 9 N 0.00 0.83 -2.66 7.83 3.41 -1.26 -4.80 113.62 116.98 2ea9 n SER 9 Ca 0.00 0.39 -0.05 0.00 -0.26 0.00 0.00 58.87 58.95 2ea9 n SER 9 Cb 0.00 0.05 0.02 0.00 -0.26 0.00 0.00 64.21 64.02 2ea9 n SER 9 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2ea9 n ASN 10 N -2.98 0.41 -4.27 4.04 2.85 -1.26 -3.41 115.26 110.64 2ea9 n ASN 10 Ca -0.15 -1.32 -0.15 0.00 -0.11 0.00 0.00 54.58 52.85 2ea9 n ASN 10 Cb 0.99 -0.13 -0.10 0.00 1.24 0.00 0.00 39.78 41.78 2ea9 n ASN 10 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2ea9 s THR 11 N -0.24 1.28 0.20 -0.44 -4.23 -1.26 -5.01 115.64 105.94 2ea9 s THR 11 Ca 0.15 -2.08 -0.10 0.00 -1.18 0.00 0.00 61.69 58.48 2ea9 s THR 11 Cb -0.01 -1.88 0.13 0.00 1.34 0.00 0.00 72.50 72.09 2ea9 s THR 11 CO 0.10 -0.71 1.79 0.74 -0.54 0.00 0.00 174.62 176.00 2ea9 h THR 12 N 2.75 0.92 -0.59 3.99 2.02 -2.00 0.27 112.91 120.27 2ea9 h THR 12 Ca -0.37 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 2ea9 h THR 12 Cb 1.20 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 2ea9 h THR 12 CO 0.63 0.11 0.34 -0.25 0.37 0.00 0.00 175.52 176.72 2ea9 h TRP 13 N 0.59 0.79 -0.35 3.16 7.01 -1.99 -2.78 115.95 122.37 2ea9 h TRP 13 Ca 0.29 -0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.20 2ea9 h TRP 13 Cb 0.23 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.02 2ea9 h TRP 13 CO -0.10 0.55 -0.13 0.78 -2.79 0.00 0.00 178.44 176.75 2ea9 h GLY 14 N 0.80 0.67 2.00 2.65 0.00 -1.76 -2.49 103.07 104.94 2ea9 h GLY 14 Ca 0.21 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2ea9 h GLY 14 CO -0.04 0.45 0.00 1.41 0.00 0.00 0.00 176.54 178.36 2ea9 h LEU 15 N 0.57 0.00 -1.15 3.11 3.38 -0.70 -2.72 115.31 117.80 2ea9 h LEU 15 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2ea9 h LEU 15 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2ea9 h LEU 15 CO 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 178.44 178.49 2ea9 n GLN 16 N -2.43 1.68 -0.89 1.13 6.02 -0.94 -4.91 117.38 117.04 2ea9 n GLN 16 Ca 0.01 -1.15 -0.30 0.00 -0.01 0.00 0.00 57.00 55.55 2ea9 n GLN 16 Cb 0.23 -1.48 0.16 0.00 1.02 0.00 0.00 30.24 30.17 2ea9 n GLN 16 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2ea9 s ARG 17 N -2.11 1.09 -0.11 -1.09 1.81 -1.03 -4.98 118.95 112.53 2ea9 s ARG 17 Ca 0.32 1.25 -0.01 0.00 -1.72 0.00 0.00 55.73 55.57 2ea9 s ARG 17 Cb 0.20 -1.76 -0.06 0.00 -0.45 0.00 0.00 34.95 32.88 2ea9 s ARG 17 CO 0.37 -2.48 -0.11 -0.25 -0.68 0.00 0.00 175.30 172.15 2ea9 n ASP 18 N -4.10 2.46 -4.76 0.23 8.00 -1.26 -5.04 116.55 112.08 2ea9 n ASP 18 Ca 0.09 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.21 2ea9 n ASP 18 Cb 0.53 -0.22 0.02 0.00 -0.02 0.00 0.00 41.12 41.43 2ea9 n ASP 18 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ea9 s ILE 19 N -2.21 2.41 -0.06 0.53 1.09 -1.26 -5.04 121.20 116.66 2ea9 s ILE 19 Ca -0.15 0.33 -0.06 0.00 -1.10 0.00 0.00 60.65 59.67 2ea9 s ILE 19 Cb 0.04 -3.18 0.02 0.00 -1.06 0.00 0.00 42.46 38.28 2ea9 s ILE 19 CO 0.23 0.02 0.17 -0.89 -0.10 0.00 0.00 174.94 174.36 2ea9 s THR 20 N -1.33 0.01 0.65 2.92 2.01 -1.26 -4.36 115.64 114.27 2ea9 s THR 20 Ca 0.65 -0.06 -0.12 0.00 0.31 0.00 0.00 61.69 62.48 2ea9 s THR 20 Cb -0.38 -0.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.86 2ea9 s THR 20 CO 0.46 -0.03 1.05 -2.16 -0.69 0.00 0.00 174.62 173.25 2ea9 s PRO 21 N -0.03 3.24 -0.01 4.92 0.04 -1.26 -4.99 135.00 136.91 2ea9 s PRO 21 Ca -0.01 0.91 -0.17 0.00 0.04 0.00 0.00 61.00 61.77 2ea9 s PRO 21 Cb -0.02 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.52 2ea9 s PRO 21 CO 0.00 -0.85 0.37 -0.98 0.04 0.00 0.00 177.00 175.58 2ea9 s ARG 22 N -4.95 0.74 -0.26 4.56 1.70 -0.43 -4.25 118.95 116.07 2ea9 s ARG 22 Ca 0.58 -0.15 -0.07 0.00 -0.47 0.00 0.00 55.73 55.61 2ea9 s ARG 22 Cb -0.13 0.33 -0.02 0.00 -0.57 0.00 0.00 34.95 34.56 2ea9 s ARG 22 CO 0.52 -0.21 0.08 -1.17 -1.08 0.00 0.00 175.30 173.43 2ea9 s LEU 23 N -1.37 3.52 0.07 -1.89 2.96 0.76 -0.84 118.68 121.89 2ea9 s LEU 23 Ca -0.13 -0.27 0.06 0.00 -0.22 0.00 0.00 54.13 53.57 2ea9 s LEU 23 Cb -0.04 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 2ea9 s LEU 23 CO 0.04 -0.06 -0.08 -0.83 -1.32 0.00 0.00 176.35 174.10 2ea9 s GLY 24 N 1.61 1.78 -0.04 7.98 0.00 0.80 -0.65 107.32 118.80 2ea9 s GLY 24 Ca 0.06 -1.16 -0.29 0.00 0.00 0.00 0.00 44.72 43.33 2ea9 s GLY 24 CO 0.04 -1.10 0.65 0.00 0.00 0.00 0.00 173.10 172.68 2ea9 s ALA 25 N -1.14 -1.68 -0.29 3.20 0.00 -0.78 -1.10 121.76 119.96 2ea9 s ALA 25 Ca 0.20 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.36 2ea9 s ALA 25 Cb -0.11 0.06 0.06 0.00 0.00 0.00 0.00 23.12 23.12 2ea9 s ALA 25 CO 0.12 -0.38 -0.03 0.50 0.00 0.00 0.00 175.76 175.97 2ea9 s ARG 26 N -1.35 2.30 0.23 0.00 3.52 -1.00 -1.00 118.95 121.64 2ea9 s ARG 26 Ca -0.10 -1.35 -0.08 0.00 -0.13 0.00 0.00 55.73 54.07 2ea9 s ARG 26 Cb -0.00 -3.10 -0.06 0.00 -1.56 0.00 0.00 34.95 30.22 2ea9 s ARG 26 CO 0.08 -0.64 0.52 -0.51 -0.81 0.00 0.00 175.30 173.94 2ea9 s LEU 27 N 1.18 4.16 -0.15 -0.88 2.01 0.08 -4.51 118.68 120.57 2ea9 s LEU 27 Ca -0.05 0.81 -0.14 0.00 0.01 0.00 0.00 54.13 54.76 2ea9 s LEU 27 Cb -0.20 -3.58 -0.05 0.00 0.01 0.00 0.00 46.19 42.37 2ea9 s LEU 27 CO -0.03 -0.08 0.30 -0.69 1.01 0.00 0.00 176.35 176.86 2ea9 s VAL 28 N -1.85 5.29 -0.30 -1.59 1.01 -0.62 -0.88 120.40 121.46 2ea9 s VAL 28 Ca 0.45 0.57 -0.14 0.00 0.00 0.00 0.00 61.98 62.87 2ea9 s VAL 28 Cb -0.11 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2ea9 s VAL 28 CO 0.24 0.41 0.31 -1.58 0.00 0.00 0.00 175.10 174.48 2ea9 s GLN 29 N 0.33 3.84 -0.32 2.72 0.74 0.18 -0.03 119.66 127.12 2ea9 s GLN 29 Ca 0.17 -0.22 -0.01 0.00 0.05 0.00 0.00 55.36 55.35 2ea9 s GLN 29 Cb -0.13 -3.71 0.07 0.00 1.10 0.00 0.00 33.01 30.34 2ea9 s GLN 29 CO 0.05 -0.33 0.03 -1.21 -0.55 0.00 0.00 175.29 173.28 2ea9 s GLU 30 N 1.95 2.27 7.73 1.67 2.02 0.57 -4.76 118.70 130.15 2ea9 s GLU 30 Ca 0.11 -1.42 0.00 0.00 0.02 0.00 0.00 54.97 53.69 2ea9 s GLU 30 Cb -0.16 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 30.84 2ea9 s GLU 30 CO 0.11 -0.72 0.00 0.41 0.02 0.00 0.00 175.26 175.08 2ea9 n GLY 31 N 4.57 3.82 0.74 -1.39 0.00 -1.26 0.00 105.19 111.67 2ea9 n GLY 31 Ca -0.10 0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.12 2ea9 n GLY 31 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ea9 n ASN 32 N 9.38 3.39 -4.67 1.61 3.02 -1.26 -4.97 115.26 121.76 2ea9 n ASN 32 Ca 0.00 -2.56 -0.35 0.00 -0.03 0.00 0.00 54.58 51.64 2ea9 n ASN 32 Cb 0.00 -0.39 -0.09 0.00 -0.61 0.00 0.00 39.78 38.68 2ea9 n ASN 32 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2ea9 s GLN 33 N -2.01 3.74 -0.24 3.52 -0.21 0.10 -4.73 119.66 119.84 2ea9 s GLN 33 Ca 0.33 -0.33 -0.09 0.00 0.02 0.00 0.00 55.36 55.29 2ea9 s GLN 33 Cb 0.24 -3.14 -0.04 0.00 1.00 0.00 0.00 33.01 31.07 2ea9 s GLN 33 CO 0.11 0.41 0.12 -0.51 -2.12 0.00 0.00 175.29 173.31 2ea9 s LEU 34 N -0.02 3.86 -0.11 2.90 1.43 -1.26 -0.31 118.68 125.16 2ea9 s LEU 34 Ca 0.06 0.00 -0.06 0.00 -1.03 0.00 0.00 54.13 53.11 2ea9 s LEU 34 Cb -0.12 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 2ea9 s LEU 34 CO 0.01 0.04 0.10 -1.00 0.23 0.00 0.00 176.35 175.73 2ea9 s HIS 35 N 1.18 3.45 -0.03 0.29 3.76 0.95 -4.92 115.29 119.98 2ea9 s HIS 35 Ca 0.06 0.41 -0.19 0.00 -0.15 0.00 0.00 55.06 55.19 2ea9 s HIS 35 Cb -0.14 -1.91 -0.05 0.00 1.11 0.00 0.00 32.58 31.59 2ea9 s HIS 35 CO 0.05 0.62 0.53 -0.47 -0.85 0.00 0.00 174.74 174.62 2ea9 s TYR 36 N -0.89 3.66 -0.22 1.40 5.04 -1.26 -1.59 117.35 123.49 2ea9 s TYR 36 Ca 0.14 1.09 -0.00 0.00 -2.44 0.00 0.00 57.07 55.86 2ea9 s TYR 36 Cb -0.12 -2.53 0.06 0.00 0.35 0.00 0.00 41.96 39.72 2ea9 s TYR 36 CO 0.03 0.38 -0.03 -0.51 -1.34 0.00 0.00 175.55 174.07 2ea9 s LEU 37 N -0.22 2.17 0.53 6.97 1.02 -1.26 -4.99 118.68 122.90 2ea9 s LEU 37 Ca 0.28 -1.05 0.19 0.00 0.02 0.00 0.00 54.13 53.57 2ea9 s LEU 37 Cb -0.17 -1.03 1.34 0.00 0.02 0.00 0.00 46.19 46.35 2ea9 s LEU 37 CO 0.15 -0.24 2.13 0.00 0.02 0.00 0.00 176.35 178.41 2ea9 h ALA 38 N 8.03 2.04 0.00 4.21 0.00 -1.95 -0.86 119.26 130.74 2ea9 h ALA 38 Ca -0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2ea9 h ALA 38 Cb 1.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2ea9 h ALA 38 CO 0.40 -0.11 0.00 -0.40 0.00 0.00 0.00 179.25 179.13 2ea9 n ASP 39 N -4.44 0.65 -0.47 0.00 5.75 -1.26 -1.90 116.55 114.87 2ea9 n ASP 39 Ca -0.01 0.70 0.07 0.00 -0.01 0.00 0.00 54.79 55.54 2ea9 n ASP 39 Cb 0.18 -0.82 0.17 0.00 -1.03 0.00 0.00 41.12 39.62 2ea9 n ASP 39 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2ea9 n ARG 40 N -2.26 1.37 -4.44 0.11 5.12 -0.33 -4.33 116.66 111.89 2ea9 n ARG 40 Ca 0.01 -2.95 -0.31 0.00 -1.93 0.00 0.00 57.85 52.67 2ea9 n ARG 40 Cb 0.17 -1.48 -0.11 0.00 -1.16 0.00 0.00 32.46 29.88 2ea9 n ARG 40 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ea9 s ALA 41 N -2.89 2.86 0.07 7.54 0.00 -0.80 -2.39 121.76 126.15 2ea9 s ALA 41 Ca 0.35 -1.15 -0.26 0.00 0.00 0.00 0.00 51.96 50.89 2ea9 s ALA 41 Cb 0.33 -0.92 0.08 0.00 0.00 0.00 0.00 23.12 22.62 2ea9 s ALA 41 CO -0.04 0.61 0.73 -1.54 0.00 0.00 0.00 175.76 175.52 2ea9 s SER 42 N -1.70 -0.49 -0.12 0.00 1.04 -0.26 -4.79 113.70 107.38 2ea9 s SER 42 Ca 0.18 0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.72 2ea9 s SER 42 Cb -0.11 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.52 2ea9 s SER 42 CO 0.09 -0.78 -0.22 -0.63 0.98 0.00 0.00 173.24 172.67 2ea9 s ILE 43 N -3.18 2.09 -0.26 -1.02 -1.09 -1.26 -0.14 121.20 116.33 2ea9 s ILE 43 Ca 0.01 -0.98 -0.07 0.00 -2.23 0.00 0.00 60.65 57.38 2ea9 s ILE 43 Cb -0.01 -1.82 -0.01 0.00 -1.58 0.00 0.00 42.46 39.04 2ea9 s ILE 43 CO -0.09 0.55 0.06 -0.89 -1.23 0.00 0.00 174.94 173.34 2ea9 s THR 44 N 0.63 4.03 0.00 2.92 2.01 -0.02 -4.93 115.64 120.27 2ea9 s THR 44 Ca -0.12 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.47 2ea9 s THR 44 Cb -0.16 -2.95 0.00 0.00 0.01 0.00 0.00 72.50 69.40 2ea9 s THR 44 CO 0.02 0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.82 2ea9 n GLY 45 N 4.88 -0.94 3.18 4.40 0.00 -1.26 -1.31 105.19 114.15 2ea9 n GLY 45 Ca -0.16 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 2ea9 n GLY 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ea9 s LYS 46 N 0.00 0.33 0.21 1.61 2.20 -1.26 -4.90 119.74 117.93 2ea9 s LYS 46 Ca 0.00 0.54 -0.10 0.00 -0.36 0.00 0.00 55.97 56.06 2ea9 s LYS 46 Cb 0.00 0.06 -0.07 0.00 -1.51 0.00 0.00 37.83 36.31 2ea9 s LYS 46 CO 0.00 -0.10 0.54 -0.06 -0.36 0.00 0.00 175.35 175.37 2ea9 s PHE 47 N 0.73 3.45 0.85 4.03 0.08 -1.26 -4.68 117.98 121.19 2ea9 s PHE 47 Ca -0.05 0.88 -0.11 0.00 0.12 0.00 0.00 56.93 57.77 2ea9 s PHE 47 Cb -0.06 -2.26 0.10 0.00 -0.57 0.00 0.00 43.02 40.24 2ea9 s PHE 47 CO -0.05 0.30 1.09 -1.54 -0.10 0.00 0.00 175.22 174.92 2ea9 s SER 48 N -2.27 3.83 0.50 1.36 1.04 -1.26 -4.81 113.70 112.09 2ea9 s SER 48 Ca 0.46 1.60 0.15 0.00 0.48 0.00 0.00 55.95 58.64 2ea9 s SER 48 Cb -0.12 -2.29 1.21 0.00 0.10 0.00 0.00 66.02 64.92 2ea9 s SER 48 CO 0.21 -2.43 2.12 0.44 0.98 0.00 0.00 173.24 174.56 2ea9 h ASP 49 N -1.40 0.08 -0.14 7.02 3.32 -2.01 -2.08 116.42 121.21 2ea9 h ASP 49 Ca -0.47 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.49 2ea9 h ASP 49 Cb 1.27 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2ea9 h ASP 49 CO 0.53 0.06 -0.24 0.00 -1.72 0.00 0.00 179.24 177.87 2ea9 h ALA 50 N 1.94 0.22 -0.17 3.45 0.00 -2.04 -3.26 119.26 119.39 2ea9 h ALA 50 Ca 0.05 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 2ea9 h ALA 50 Cb 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2ea9 h ALA 50 CO -0.01 0.19 -0.16 0.93 0.00 0.00 0.00 179.25 180.20 2ea9 h GLU 51 N 0.01 0.28 0.27 0.00 5.08 -1.75 -3.28 114.58 115.19 2ea9 h GLU 51 Ca 0.01 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2ea9 h GLU 51 Cb 0.82 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 2ea9 h GLU 51 CO 0.05 0.44 -0.45 0.00 -1.00 0.00 0.00 179.01 178.06 2ea9 h PRO 53 N -0.78 0.29 -0.42 0.00 0.13 -1.72 -1.97 132.00 127.53 2ea9 h PRO 53 Ca -0.01 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 2ea9 h PRO 53 Cb 0.75 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.81 2ea9 h PRO 53 CO -0.17 0.34 0.14 0.87 -0.23 0.00 0.00 178.00 178.96 2ea9 h LYS 54 N 0.29 0.65 -0.40 0.86 1.57 -1.45 -2.57 116.57 115.51 2ea9 h LYS 54 Ca 0.07 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 2ea9 h LYS 54 Cb 0.24 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2ea9 h LYS 54 CO 0.01 0.63 -0.01 1.25 -0.57 0.00 0.00 179.45 180.76 2ea9 h LEU 55 N 0.54 0.61 -1.45 2.94 5.85 0.34 -2.28 115.31 121.85 2ea9 h LEU 55 Ca 0.14 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 2ea9 h LEU 55 Cb 0.24 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2ea9 h LEU 55 CO -0.01 0.68 -0.25 0.44 -0.34 0.00 0.00 178.44 178.97 2ea9 h ASP 56 N 0.61 0.04 0.44 1.25 3.32 -1.07 -1.47 116.42 119.54 2ea9 h ASP 56 Ca 0.12 -0.01 -0.25 0.00 0.02 0.00 0.00 57.03 56.92 2ea9 h ASP 56 Cb 0.39 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.94 2ea9 h ASP 56 CO 0.01 0.29 -1.07 0.58 -1.72 0.00 0.00 179.24 177.33 2ea9 h VAL 57 N 0.04 1.43 0.00 -1.35 2.07 -1.05 -3.33 116.25 114.05 2ea9 h VAL 57 Ca 0.00 -2.67 -0.04 0.00 0.82 0.00 0.00 66.70 64.81 2ea9 h VAL 57 Cb 0.46 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 2ea9 h VAL 57 CO 0.03 0.79 -0.33 -0.37 0.02 0.00 0.00 177.57 177.72 2ea9 h VAL 58 N 0.17 0.29 0.19 2.57 -1.51 -1.12 -3.37 116.25 113.46 2ea9 h VAL 58 Ca -0.11 -1.42 0.01 0.00 -1.23 0.00 0.00 66.70 63.95 2ea9 h VAL 58 Cb 1.75 2.08 -0.02 0.00 -2.13 0.00 0.00 31.29 32.96 2ea9 h VAL 58 CO 0.18 0.16 -0.20 0.15 -1.23 0.00 0.00 177.57 176.63 2ea9 h PHE 59 N 0.00 -0.53 0.00 5.19 3.57 -1.38 -1.97 116.94 121.82 2ea9 h PHE 59 Ca -0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2ea9 h PHE 59 Cb 1.15 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 40.09 2ea9 h PHE 59 CO 0.00 -0.30 -0.02 -1.00 -2.23 0.00 0.00 178.31 174.76 2ea9 h PRO 60 N -0.43 0.00 -0.07 6.41 0.13 -1.76 -1.22 132.00 135.07 2ea9 h PRO 60 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.91 2ea9 h PRO 60 Cb 0.41 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.54 2ea9 h PRO 60 CO -0.06 0.02 -0.86 1.25 -0.23 0.00 0.00 178.00 178.12 2ea9 h HIS 61 N 0.00 0.82 -0.55 1.56 2.76 -1.57 -2.59 115.15 115.57 2ea9 h HIS 61 Ca -0.00 -0.40 -0.09 0.00 -2.20 0.00 0.00 60.37 57.68 2ea9 h HIS 61 Cb 0.05 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 2ea9 h HIS 61 CO 0.00 1.21 -0.01 0.74 -1.30 0.00 0.00 177.93 178.57 2ea9 h PHE 62 N 0.37 1.06 -0.11 5.26 0.04 -0.54 -1.62 116.94 121.40 2ea9 h PHE 62 Ca -0.07 -0.19 0.03 0.00 2.80 0.00 0.00 57.97 60.54 2ea9 h PHE 62 Cb 1.48 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 39.33 2ea9 h PHE 62 CO 0.07 0.96 -0.05 0.82 -0.60 0.00 0.00 178.31 179.51 2ea9 h ILE 63 N 0.85 0.82 -0.83 -0.55 1.08 -1.29 0.39 117.51 117.98 2ea9 h ILE 63 Ca 0.15 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.63 2ea9 h ILE 63 Cb 0.54 0.82 -0.04 0.00 -3.07 0.00 0.00 36.82 35.08 2ea9 h ILE 63 CO 0.03 0.00 0.53 0.77 -0.69 0.00 0.00 178.15 178.79 2ea9 h SER 64 N -0.05 0.96 -0.55 1.72 4.64 -1.38 0.13 113.55 119.03 2ea9 h SER 64 Ca 0.06 -0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.38 2ea9 h SER 64 Cb 0.14 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 61.95 2ea9 h SER 64 CO -0.14 0.71 0.31 1.56 -0.87 0.00 0.00 176.83 178.40 2ea9 h GLN 65 N 1.12 0.58 -0.60 4.77 4.20 -0.67 0.07 115.11 124.58 2ea9 h GLN 65 Ca 0.30 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.87 2ea9 h GLN 65 Cb -0.10 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 2ea9 h GLN 65 CO -0.06 0.38 -0.02 0.82 -0.67 0.00 0.00 178.83 179.28 2ea9 h ILE 66 N 0.60 1.27 -0.58 2.54 2.04 -0.25 -1.53 117.51 121.59 2ea9 h ILE 66 Ca 0.23 -1.19 -0.07 0.00 1.00 0.00 0.00 64.86 64.84 2ea9 h ILE 66 Cb 0.08 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2ea9 h ILE 66 CO -0.13 0.43 0.10 -0.33 0.00 0.00 0.00 178.15 178.22 2ea9 h GLU 67 N 0.97 0.93 -0.35 2.37 5.08 -0.34 -1.88 114.58 121.38 2ea9 h GLU 67 Ca 0.17 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2ea9 h GLU 67 Cb 0.59 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2ea9 h GLU 67 CO 0.04 0.86 -0.03 1.03 -1.00 0.00 0.00 179.01 179.91 2ea9 h SER 68 N 0.88 0.52 1.10 1.42 0.87 -0.66 -2.54 113.55 115.14 2ea9 h SER 68 Ca 0.18 -0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.58 2ea9 h SER 68 Cb 0.38 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 2ea9 h SER 68 CO 0.01 0.61 -0.25 0.24 -0.53 0.00 0.00 176.83 176.91 2ea9 h MET 69 N 0.52 0.00 0.01 2.24 2.86 -0.52 -2.46 114.93 117.58 2ea9 h MET 69 Ca 0.11 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.56 2ea9 h MET 69 Cb 0.38 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 2ea9 h MET 69 CO 0.02 0.25 -0.88 -0.07 1.06 0.00 0.00 176.91 177.29 2ea9 h LEU 70 N 0.00 0.06 -0.10 1.22 3.38 -1.00 -0.26 115.31 118.62 2ea9 h LEU 70 Ca -0.00 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 2ea9 h LEU 70 Cb 0.87 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2ea9 h LEU 70 CO 0.03 0.91 -0.22 0.74 0.09 0.00 0.00 178.44 179.99 2ea9 h THR 71 N 0.02 1.39 0.00 0.22 2.02 -1.22 -3.14 112.91 112.21 2ea9 h THR 71 Ca -0.02 -1.53 -0.04 0.00 0.77 0.00 0.00 66.41 65.59 2ea9 h THR 71 Cb 1.53 2.13 -0.01 0.00 -1.74 0.00 0.00 68.15 70.07 2ea9 h THR 71 CO 0.12 0.44 -0.20 0.71 0.37 0.00 0.00 175.52 176.95 2ea9 h THR 72 N -0.12 0.55 0.00 3.16 1.35 -1.50 -3.46 112.91 112.89 2ea9 h THR 72 Ca 0.00 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 2ea9 h THR 72 Cb 0.82 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 2ea9 h THR 72 CO 0.05 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.13 2ea9 n GLY 73 N -0.02 1.09 0.46 5.82 0.00 -0.76 -4.93 105.19 106.86 2ea9 n GLY 73 Ca -0.00 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.30 2ea9 n GLY 73 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ea9 h GLU 74 N 3.07 0.18 -5.19 1.61 5.08 -1.46 -3.33 114.58 114.55 2ea9 h GLU 74 Ca 0.00 -0.01 -0.66 0.00 -1.00 0.00 0.00 59.36 57.69 2ea9 h GLU 74 Cb 0.00 -0.04 -0.28 0.00 0.50 0.00 0.00 28.75 28.93 2ea9 h GLU 74 CO 0.00 0.12 -0.76 -1.17 -1.00 0.00 0.00 179.01 176.20 2ea9 s LEU 75 N -8.98 2.73 -0.20 1.33 2.96 -0.25 -5.00 118.68 111.27 2ea9 s LEU 75 Ca -0.07 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 2ea9 s LEU 75 Cb 0.24 -1.64 0.03 0.00 0.50 0.00 0.00 46.19 45.31 2ea9 s LEU 75 CO 0.80 0.09 -0.17 0.21 -1.32 0.00 0.00 176.35 175.96 2ea9 s ASN 76 N 0.80 3.46 0.60 3.68 2.47 -1.25 -4.36 114.94 120.34 2ea9 s ASN 76 Ca -0.04 -0.76 0.37 0.00 0.42 0.00 0.00 52.86 52.85 2ea9 s ASN 76 Cb -0.15 -1.51 2.01 0.00 -1.45 0.00 0.00 41.25 40.15 2ea9 s ASN 76 CO 0.01 -0.04 2.13 -0.65 -3.72 0.00 0.00 177.10 174.83 2ea9 h PRO 77 N 7.93 0.00 0.00 0.43 0.11 -1.95 -2.05 132.00 136.47 2ea9 h PRO 77 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2ea9 h PRO 77 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2ea9 h PRO 77 CO 0.61 0.00 -1.27 0.54 -0.21 0.00 0.00 178.00 177.66 2ea9 n ARG 78 N -2.86 0.37 -4.66 1.05 1.74 -1.26 -0.92 116.66 110.12 2ea9 n ARG 78 Ca -0.02 -0.04 -0.24 0.00 -0.77 0.00 0.00 57.85 56.77 2ea9 n ARG 78 Cb 0.13 -1.58 -0.16 0.00 -1.02 0.00 0.00 32.46 29.83 2ea9 n ARG 78 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2ea9 s HIS 79 N -3.26 1.44 0.00 -1.55 3.76 -0.77 -4.63 115.29 110.28 2ea9 s HIS 79 Ca 0.01 -0.43 -0.30 0.00 -0.15 0.00 0.00 55.06 54.19 2ea9 s HIS 79 Cb 0.14 -1.00 -0.05 0.00 1.11 0.00 0.00 32.58 32.78 2ea9 s HIS 79 CO 0.84 -0.17 1.25 0.00 -0.85 0.00 0.00 174.74 175.80 2ea9 s ALA 80 N 0.22 3.48 -0.30 -1.40 0.00 -1.26 -3.93 121.76 118.57 2ea9 s ALA 80 Ca -0.06 0.77 -0.13 0.00 0.00 0.00 0.00 51.96 52.54 2ea9 s ALA 80 Cb -0.12 -3.51 0.13 0.00 0.00 0.00 0.00 23.12 19.63 2ea9 s ALA 80 CO 0.02 -0.68 0.80 1.14 0.00 0.00 0.00 175.76 177.04 2ea9 s GLN 81 N 1.82 0.49 0.18 0.00 -2.07 -1.26 -4.91 119.66 113.90 2ea9 s GLN 81 Ca 0.59 1.10 -0.17 0.00 -1.82 0.00 0.00 55.36 55.07 2ea9 s GLN 81 Cb -0.28 0.53 -0.07 0.00 -1.09 0.00 0.00 33.01 32.10 2ea9 s GLN 81 CO 0.26 -0.15 0.62 0.00 -1.32 0.00 0.00 175.29 174.70 2ea9 s VAL 83 N -1.48 1.21 -0.13 0.00 -7.23 -0.53 -4.97 120.40 107.27 2ea9 s VAL 83 Ca 0.40 -1.66 0.02 0.00 -1.81 0.00 0.00 61.98 58.93 2ea9 s VAL 83 Cb -0.16 -1.45 0.00 0.00 0.56 0.00 0.00 36.38 35.34 2ea9 s VAL 83 CO 0.20 -0.44 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.45 2ea9 s THR 84 N -2.14 2.25 0.27 5.32 2.01 -1.26 -1.73 115.64 120.36 2ea9 s THR 84 Ca 0.07 -0.93 0.11 0.00 0.31 0.00 0.00 61.69 61.25 2ea9 s THR 84 Cb -0.05 -1.90 -0.05 0.00 0.01 0.00 0.00 72.50 70.51 2ea9 s THR 84 CO 0.02 0.54 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.55 2ea9 s LEU 85 N 0.62 2.59 0.05 4.42 1.43 0.57 -4.96 118.68 123.40 2ea9 s LEU 85 Ca -0.11 -1.03 0.03 0.00 -1.03 0.00 0.00 54.13 51.98 2ea9 s LEU 85 Cb -0.16 -1.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.99 2ea9 s LEU 85 CO 0.03 0.01 -0.09 -0.31 0.23 0.00 0.00 176.35 176.21 2ea9 s TYR 86 N -2.57 0.77 -0.30 0.29 2.02 -1.26 -0.98 117.35 115.32 2ea9 s TYR 86 Ca 0.29 -0.49 -0.15 0.00 -0.37 0.00 0.00 57.07 56.35 2ea9 s TYR 86 Cb -0.04 -0.45 0.18 0.00 -0.40 0.00 0.00 41.96 41.24 2ea9 s TYR 86 CO 0.14 -0.06 1.09 -1.58 -1.57 0.00 0.00 175.55 173.57 2ea9 s HIS 87 N -1.35 -0.45 -1.31 2.71 2.46 -0.58 -5.00 115.29 111.77 2ea9 s HIS 87 Ca -0.08 0.58 -0.03 0.00 0.47 0.00 0.00 55.06 55.99 2ea9 s HIS 87 Cb -0.10 0.20 -0.00 0.00 -0.13 0.00 0.00 32.58 32.54 2ea9 s HIS 87 CO 0.01 -0.24 0.60 0.09 -2.47 0.00 0.00 174.74 172.73 2ea9 n ASN 88 N 5.22 -1.58 -0.02 9.88 4.13 -1.26 -2.10 115.26 129.53 2ea9 n ASN 88 Ca -0.07 -0.92 -0.00 0.00 1.68 0.00 0.00 54.58 55.26 2ea9 n ASN 88 Cb 0.54 -3.57 -0.00 0.00 -1.54 0.00 0.00 39.78 35.21 2ea9 n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ea9 n GLY 89 N -1.75 0.47 3.32 7.41 0.00 -1.26 -5.03 105.19 108.36 2ea9 n GLY 89 Ca -0.27 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 2ea9 n GLY 89 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ea9 s PHE 90 N -1.95 1.97 0.12 1.61 0.08 -0.89 -2.02 117.98 116.90 2ea9 s PHE 90 Ca 0.00 -0.40 0.10 0.00 0.12 0.00 0.00 56.93 56.75 2ea9 s PHE 90 Cb 0.00 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 41.33 2ea9 s PHE 90 CO 0.00 0.25 -0.23 0.99 -0.10 0.00 0.00 175.22 176.13 2ea9 s THR 91 N -1.12 2.52 -0.03 0.64 2.01 0.29 -1.52 115.64 118.42 2ea9 s THR 91 Ca 0.09 -1.65 -0.01 0.00 0.31 0.00 0.00 61.69 60.43 2ea9 s THR 91 Cb -0.10 -2.13 0.03 0.00 0.01 0.00 0.00 72.50 70.31 2ea9 s THR 91 CO 0.05 0.09 0.05 0.00 -0.69 0.00 0.00 174.62 174.12 2ea9 s GLU 93 N 1.77 4.03 -0.00 0.00 2.02 -0.29 -0.32 118.70 125.91 2ea9 s GLU 93 Ca -0.00 -0.21 0.02 0.00 0.02 0.00 0.00 54.97 54.79 2ea9 s GLU 93 Cb -0.12 -3.36 -0.01 0.00 0.10 0.00 0.00 34.13 30.74 2ea9 s GLU 93 CO -0.03 0.39 -0.06 0.00 0.02 0.00 0.00 175.26 175.58 2ea9 s ALA 94 N 0.10 0.48 -0.19 5.21 0.00 -0.70 -1.42 121.76 125.24 2ea9 s ALA 94 Ca 0.09 -0.28 -0.14 0.00 0.00 0.00 0.00 51.96 51.62 2ea9 s ALA 94 Cb -0.11 -0.11 0.05 0.00 0.00 0.00 0.00 23.12 22.95 2ea9 s ALA 94 CO -0.01 0.11 0.48 0.34 0.00 0.00 0.00 175.76 176.68 2ea9 s ASP 95 N -0.24 -0.55 0.27 0.00 -1.08 -0.17 -1.45 116.67 113.46 2ea9 s ASP 95 Ca 0.01 1.00 0.14 0.00 -0.52 0.00 0.00 52.55 53.19 2ea9 s ASP 95 Cb -0.03 0.96 0.19 0.00 -1.46 0.00 0.00 42.92 42.58 2ea9 s ASP 95 CO -0.00 -0.18 1.50 0.74 0.52 0.00 0.00 175.17 177.74 2ea9 h THR 96 N 4.80 1.07 -2.10 1.71 2.02 -1.79 0.55 112.91 119.16 2ea9 h THR 96 Ca -0.31 -2.27 -0.41 0.00 0.77 0.00 0.00 66.41 64.20 2ea9 h THR 96 Cb 1.18 2.36 -0.09 0.00 -1.74 0.00 0.00 68.15 69.87 2ea9 h THR 96 CO 0.23 0.56 -0.45 0.18 0.37 0.00 0.00 175.52 176.41 2ea9 n LEU 97 N -3.36 -1.67 -2.62 2.58 4.77 -1.26 -2.05 117.00 113.39 2ea9 n LEU 97 Ca 0.01 0.24 -0.17 0.00 -0.03 0.00 0.00 56.01 56.06 2ea9 n LEU 97 Cb 0.71 -2.82 -0.00 0.00 -2.33 0.00 0.00 43.42 38.98 2ea9 n LEU 97 CO 0.41 -0.62 -0.15 0.61 -1.33 0.00 0.00 177.39 176.31 2ea9 n GLY 98 N -0.69 -0.50 0.11 -0.72 0.00 -1.25 -4.60 105.19 97.53 2ea9 n GLY 98 Ca -0.22 0.03 0.13 0.00 0.00 0.00 0.00 46.02 45.95 2ea9 n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ea9 n SER 99 N -2.02 0.76 -3.67 1.61 3.41 -0.87 -4.71 113.62 108.13 2ea9 n SER 99 Ca -0.15 0.61 -0.24 0.00 -0.26 0.00 0.00 58.87 58.83 2ea9 n SER 99 Cb 0.63 -0.80 0.03 0.00 -0.26 0.00 0.00 64.21 63.81 2ea9 n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ea9 n GLY 101 N -1.61 0.13 3.40 0.00 0.00 -1.26 -5.05 105.19 100.80 2ea9 n GLY 101 Ca -0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 2ea9 n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ea9 s TYR 102 N 0.00 2.15 -0.08 1.61 2.02 -1.26 0.49 117.35 122.27 2ea9 s TYR 102 Ca 0.00 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.29 2ea9 s TYR 102 Cb 0.00 -1.06 0.03 0.00 -0.40 0.00 0.00 41.96 40.53 2ea9 s TYR 102 CO 0.00 0.46 0.01 0.54 -1.57 0.00 0.00 175.55 174.98 2ea9 s VAL 103 N -1.83 0.38 -0.14 0.71 0.11 -0.06 -4.51 120.40 115.06 2ea9 s VAL 103 Ca 0.20 0.06 -0.18 0.00 -2.93 0.00 0.00 61.98 59.13 2ea9 s VAL 103 Cb -0.07 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 2ea9 s VAL 103 CO 0.09 0.21 0.46 -0.31 -3.33 0.00 0.00 175.10 172.22 2ea9 s TYR 104 N 1.97 3.47 0.11 1.54 2.02 0.18 -0.74 117.35 125.90 2ea9 s TYR 104 Ca 0.04 0.82 0.04 0.00 -0.37 0.00 0.00 57.07 57.60 2ea9 s TYR 104 Cb -0.13 -2.55 -0.04 0.00 -0.40 0.00 0.00 41.96 38.84 2ea9 s TYR 104 CO -0.06 0.11 -0.10 0.96 -1.57 0.00 0.00 175.55 174.90 2ea9 s ILE 105 N 0.84 0.94 -0.05 2.71 -4.36 -0.17 -1.00 121.20 120.12 2ea9 s ILE 105 Ca 0.24 -1.75 -0.02 0.00 -0.26 0.00 0.00 60.65 58.87 2ea9 s ILE 105 Cb -0.15 -1.48 0.04 0.00 1.25 0.00 0.00 42.46 42.12 2ea9 s ILE 105 CO 0.09 -0.63 0.09 0.00 0.24 0.00 0.00 174.94 174.74 2ea9 s ALA 106 N -2.74 0.01 -0.13 2.27 0.00 -0.51 -1.87 121.76 118.80 2ea9 s ALA 106 Ca 0.08 0.40 0.03 0.00 0.00 0.00 0.00 51.96 52.47 2ea9 s ALA 106 Cb -0.01 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.57 2ea9 s ALA 106 CO -0.01 -0.35 -0.23 0.08 0.00 0.00 0.00 175.76 175.26 2ea9 s VAL 107 N 1.75 2.05 0.16 0.00 1.01 0.18 -1.14 120.40 124.41 2ea9 s VAL 107 Ca -0.02 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 2ea9 s VAL 107 Cb -0.12 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 2ea9 s VAL 107 CO -0.04 0.55 0.25 -0.72 0.00 0.00 0.00 175.10 175.14 2ea9 s TYR 108 N 0.67 0.47 0.33 5.22 1.13 -0.55 -0.17 117.35 124.45 2ea9 s TYR 108 Ca -0.11 -0.83 -0.29 0.00 -1.41 0.00 0.00 57.07 54.43 2ea9 s TYR 108 Cb -0.16 -0.12 -0.10 0.00 -1.10 0.00 0.00 41.96 40.48 2ea9 s TYR 108 CO 0.01 -0.69 1.30 -1.25 -2.51 0.00 0.00 175.55 172.41 2ea9 s PRO 109 N -3.98 4.35 0.00 -3.49 0.04 -1.26 -0.55 135.00 130.11 2ea9 s PRO 109 Ca 0.18 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.42 2ea9 s PRO 109 Cb 0.04 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.52 2ea9 s PRO 109 CO 0.00 -0.18 0.48 2.41 0.04 0.00 0.00 177.00 179.75