#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2da3 n SER 2 N 0.00 1.35 -4.31 1.61 7.64 -1.26 -5.12 113.62 113.54 2da3 n SER 2 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 2da3 n SER 2 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 2da3 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2da3 s SER 3 N -4.18 2.37 0.00 6.43 0.15 -1.26 -5.05 113.70 112.16 2da3 s SER 3 Ca 0.00 -1.50 0.00 0.00 0.70 0.00 0.00 55.95 55.15 2da3 s SER 3 Cb 0.00 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 2da3 s SER 3 CO 0.00 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.30 2da3 n GLY 4 N -0.74 0.27 3.23 9.45 0.00 -1.26 -5.16 105.19 110.97 2da3 n GLY 4 Ca -0.03 -0.60 0.04 0.00 0.00 0.00 0.00 46.02 45.43 2da3 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2da3 s SER 5 N 0.00 -0.34 -0.22 1.61 0.15 -1.26 -5.16 113.70 108.48 2da3 s SER 5 Ca 0.00 0.35 -0.09 0.00 0.70 0.00 0.00 55.95 56.90 2da3 s SER 5 Cb 0.00 1.34 0.09 0.00 -1.71 0.00 0.00 66.02 65.74 2da3 s SER 5 CO 0.00 -0.07 0.49 -0.55 1.20 0.00 0.00 173.24 174.32 2da3 s SER 6 N 2.57 -0.57 0.00 5.45 0.15 -1.26 -5.15 113.70 114.89 2da3 s SER 6 Ca -0.02 1.13 0.00 0.00 0.70 0.00 0.00 55.95 57.77 2da3 s SER 6 Cb -0.06 1.35 0.00 0.00 -1.71 0.00 0.00 66.02 65.60 2da3 s SER 6 CO -0.14 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.69 2da3 n GLY 7 N 4.94 4.45 0.00 9.45 0.00 -1.26 -5.09 105.19 117.69 2da3 n GLY 7 Ca -0.15 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2da3 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2da3 n GLY 8 N -1.91 0.00 3.86 -0.02 0.00 -1.26 -5.17 105.19 100.70 2da3 n GLY 8 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2da3 n GLY 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2da3 s THR 9 N 0.00 3.43 0.20 2.61 -4.23 -1.26 -5.14 115.64 111.26 2da3 s THR 9 Ca 0.00 -1.35 -0.23 0.00 -1.18 0.00 0.00 61.69 58.94 2da3 s THR 9 Cb 0.00 -3.17 0.05 0.00 1.34 0.00 0.00 72.50 70.72 2da3 s THR 9 CO 0.00 -0.15 0.68 -0.83 -0.54 0.00 0.00 174.62 173.78 2da3 s GLY 10 N -4.02 -0.37 -0.07 3.99 0.00 -1.26 -5.18 107.32 100.40 2da3 s GLY 10 Ca 0.42 0.17 -0.17 0.00 0.00 0.00 0.00 44.72 45.14 2da3 s GLY 10 CO 0.27 0.06 0.40 -0.32 0.00 0.00 0.00 173.10 173.50 2da3 s GLY 11 N -2.82 -0.27 -0.45 0.20 0.00 -1.26 -5.12 107.32 97.61 2da3 s GLY 11 Ca 0.06 0.78 0.03 0.00 0.00 0.00 0.00 44.72 45.59 2da3 s GLY 11 CO -0.04 0.57 0.22 -0.54 0.00 0.00 0.00 173.10 173.32 2da3 s GLU 12 N -0.70 1.50 0.01 2.90 8.01 -1.26 -5.09 118.70 124.08 2da3 s GLU 12 Ca -0.08 -2.14 0.01 0.00 0.01 0.00 0.00 54.97 52.77 2da3 s GLU 12 Cb -0.04 -2.73 -0.01 0.00 -4.31 0.00 0.00 34.13 27.04 2da3 s GLU 12 CO 0.03 -1.11 -0.03 -1.83 0.01 0.00 0.00 175.26 172.34 2da3 s GLU 13 N 0.28 0.25 -0.44 1.61 -1.05 -1.26 -5.11 118.70 112.97 2da3 s GLU 13 Ca 0.16 -0.36 -0.28 0.00 -0.15 0.00 0.00 54.97 54.34 2da3 s GLU 13 Cb -0.24 -0.05 -0.01 0.00 -0.44 0.00 0.00 34.13 33.39 2da3 s GLU 13 CO -0.02 0.00 1.75 -1.25 0.95 0.00 0.00 175.26 176.69 2da3 s PRO 14 N -0.79 3.13 0.09 -4.83 0.04 -1.26 -4.98 135.00 126.40 2da3 s PRO 14 Ca -0.07 1.06 0.08 0.00 0.04 0.00 0.00 61.00 62.12 2da3 s PRO 14 Cb -0.05 -4.23 -0.03 0.00 0.04 0.00 0.00 34.50 30.22 2da3 s PRO 14 CO -0.00 -2.11 -0.22 -1.14 0.04 0.00 0.00 177.00 173.57 2da3 s GLN 15 N 6.01 1.23 -0.03 4.56 2.00 -1.26 -5.14 119.66 127.03 2da3 s GLN 15 Ca 0.72 -1.14 0.00 0.00 -2.00 0.00 0.00 55.36 52.95 2da3 s GLN 15 Cb -0.18 -1.49 0.02 0.00 0.80 0.00 0.00 33.01 32.17 2da3 s GLN 15 CO 0.29 0.36 -0.00 -0.98 -0.50 0.00 0.00 175.29 174.45 2da3 s ARG 16 N -1.76 0.29 0.01 1.67 1.70 -1.26 -5.15 118.95 114.45 2da3 s ARG 16 Ca 0.08 0.06 -0.05 0.00 -0.47 0.00 0.00 55.73 55.34 2da3 s ARG 16 Cb -0.10 -0.45 -0.01 0.00 -0.57 0.00 0.00 34.95 33.83 2da3 s ARG 16 CO 0.04 -0.11 0.09 -0.51 -1.08 0.00 0.00 175.30 173.72 2da3 s ASP 17 N 0.90 0.10 -0.13 -2.89 1.01 -1.26 -5.07 116.67 109.33 2da3 s ASP 17 Ca -0.09 -0.31 -0.08 0.00 0.71 0.00 0.00 52.55 52.78 2da3 s ASP 17 Cb -0.12 0.17 -0.06 0.00 1.01 0.00 0.00 42.92 43.92 2da3 s ASP 17 CO -0.02 -0.36 -0.19 0.29 0.21 0.00 0.00 175.17 175.11 2da3 n LYS 18 N 1.45 0.30 -4.69 8.23 5.02 -1.26 -5.01 118.16 122.21 2da3 n LYS 18 Ca -0.23 0.13 -0.33 0.00 -2.02 0.00 0.00 58.31 55.86 2da3 n LYS 18 Cb 0.55 -1.01 -0.14 0.00 -0.02 0.00 0.00 35.03 34.42 2da3 n LYS 18 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2da3 s ARG 19 N -2.30 3.35 0.00 1.97 3.52 -1.26 -4.97 118.95 119.27 2da3 s ARG 19 Ca -0.19 -0.64 0.00 0.00 -0.13 0.00 0.00 55.73 54.77 2da3 s ARG 19 Cb 0.07 -2.68 0.00 0.00 -1.56 0.00 0.00 34.95 30.78 2da3 s ARG 19 CO 0.25 0.28 0.00 1.28 -0.81 0.00 0.00 175.30 176.30 2da3 n LEU 20 N 3.35 0.00 -4.06 -0.88 4.77 -1.26 -5.15 117.00 113.77 2da3 n LEU 20 Ca -0.18 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.70 2da3 n LEU 20 Cb 0.53 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 2da3 n LEU 20 CO 0.31 -0.33 -0.09 -0.13 -1.33 0.00 0.00 177.39 175.82 2da3 s ARG 21 N -0.66 1.20 -0.21 3.23 1.81 -1.26 -5.09 118.95 117.97 2da3 s ARG 21 Ca 0.00 -1.35 -0.14 0.00 -1.72 0.00 0.00 55.73 52.52 2da3 s ARG 21 Cb 0.00 0.34 -0.08 0.00 -0.45 0.00 0.00 34.95 34.76 2da3 s ARG 21 CO 0.00 -0.43 -0.32 0.25 -0.68 0.00 0.00 175.30 174.12 2da3 n THR 22 N -0.24 1.43 -0.30 0.02 -2.24 -1.26 -4.38 114.28 107.30 2da3 n THR 22 Ca -0.04 -0.11 -0.27 0.00 -2.27 0.00 0.00 64.05 61.37 2da3 n THR 22 Cb 0.64 -2.05 0.26 0.00 -2.10 0.00 0.00 70.33 67.07 2da3 n THR 22 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2da3 n THR 23 N -4.24 0.00 -4.40 4.28 -2.24 -1.26 -4.90 114.28 101.51 2da3 n THR 23 Ca -0.32 -0.01 -0.27 0.00 -2.27 0.00 0.00 64.05 61.18 2da3 n THR 23 Cb 0.67 -0.86 -0.12 0.00 -2.10 0.00 0.00 70.33 67.93 2da3 n THR 23 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2da3 s ILE 24 N -2.10 2.26 0.15 2.28 1.01 -1.26 -4.97 121.20 118.57 2da3 s ILE 24 Ca 0.58 -1.97 0.05 0.00 0.00 0.00 0.00 60.65 59.32 2da3 s ILE 24 Cb -0.11 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 2da3 s ILE 24 CO 0.49 -0.11 0.11 0.42 0.00 0.00 0.00 174.94 175.85 2da3 s THR 25 N -1.61 4.37 -0.54 2.92 -4.23 -1.26 -5.01 115.64 110.29 2da3 s THR 25 Ca 0.19 -1.09 0.22 0.00 -1.18 0.00 0.00 61.69 59.83 2da3 s THR 25 Cb -0.08 -3.21 0.23 0.00 1.34 0.00 0.00 72.50 70.78 2da3 s THR 25 CO 0.09 -0.08 1.68 -0.81 -0.54 0.00 0.00 174.62 174.96 2da3 n PRO 26 N -0.20 0.17 0.03 3.99 -0.04 -1.26 -2.14 135.00 135.55 2da3 n PRO 26 Ca -0.09 0.40 0.11 0.00 -0.04 0.00 0.00 63.50 63.89 2da3 n PRO 26 Cb 0.54 -1.83 -0.10 0.00 -0.04 0.00 0.00 33.50 32.08 2da3 n PRO 26 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2da3 n GLU 27 N -2.14 0.62 0.01 0.54 1.02 -1.26 -4.32 120.64 115.10 2da3 n GLU 27 Ca 0.02 -0.07 -0.22 0.00 -0.02 0.00 0.00 57.16 56.87 2da3 n GLU 27 Cb 0.22 -1.63 -0.14 0.00 -0.02 0.00 0.00 31.44 29.87 2da3 n GLU 27 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2da3 h GLN 28 N 0.00 0.26 -0.56 3.49 4.20 -1.82 -3.38 115.11 117.30 2da3 h GLN 28 Ca 0.00 -0.44 0.10 0.00 0.06 0.00 0.00 58.65 58.37 2da3 h GLN 28 Cb 0.98 0.16 -0.11 0.00 0.30 0.00 0.00 27.48 28.82 2da3 h GLN 28 CO 0.00 1.21 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.97 2da3 h LEU 29 N -0.24 -1.14 -0.72 1.46 3.38 -1.63 -1.56 115.31 114.86 2da3 h LEU 29 Ca -0.32 0.22 0.09 0.00 0.09 0.00 0.00 57.88 57.96 2da3 h LEU 29 Cb 1.81 0.56 -0.10 0.00 0.09 0.00 0.00 40.66 43.02 2da3 h LEU 29 CO 0.07 -0.30 -0.36 -0.62 0.09 0.00 0.00 178.44 177.32 2da3 n GLU 30 N -5.43 -0.25 -0.35 1.13 1.02 -1.26 0.22 120.64 115.72 2da3 n GLU 30 Ca 0.04 1.09 0.04 0.00 -0.02 0.00 0.00 57.16 58.31 2da3 n GLU 30 Cb 0.35 -1.61 0.20 0.00 -0.02 0.00 0.00 31.44 30.36 2da3 n GLU 30 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2da3 h ILE 31 N 0.00 1.00 -0.18 -3.67 2.04 -1.50 0.30 117.51 115.50 2da3 h ILE 31 Ca 0.18 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 2da3 h ILE 31 Cb 0.35 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 2da3 h ILE 31 CO -0.69 0.19 0.02 -0.07 0.00 0.00 0.00 178.15 177.60 2da3 h LEU 32 N 1.05 0.29 -0.24 1.44 3.38 0.29 -2.31 115.31 119.21 2da3 h LEU 32 Ca 0.45 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 2da3 h LEU 32 Cb 0.32 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2da3 h LEU 32 CO -0.22 0.49 0.14 1.88 0.09 0.00 0.00 178.44 180.83 2da3 h TYR 33 N 0.08 0.31 -1.00 1.13 0.05 0.16 -0.12 116.97 117.59 2da3 h TYR 33 Ca 0.05 0.00 0.10 0.00 0.05 0.00 0.00 58.73 58.93 2da3 h TYR 33 Cb 0.33 -0.10 -0.08 0.00 1.01 0.00 0.00 36.73 37.89 2da3 h TYR 33 CO 0.02 0.23 0.64 1.96 -1.05 0.00 0.00 178.16 179.96 2da3 h GLN 34 N 0.30 1.03 -0.02 4.88 1.08 -0.92 0.23 115.11 121.69 2da3 h GLN 34 Ca 0.09 -0.06 -0.15 0.00 -1.45 0.00 0.00 58.65 57.07 2da3 h GLN 34 Cb 0.01 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.19 2da3 h GLN 34 CO -0.02 0.68 -0.69 0.87 -0.95 0.00 0.00 178.83 178.72 2da3 h LYS 35 N 1.06 0.08 0.20 1.46 1.79 -0.99 -3.09 116.57 117.08 2da3 h LYS 35 Ca 0.46 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.86 2da3 h LYS 35 Cb 0.36 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2da3 h LYS 35 CO -0.22 0.74 -0.10 -0.92 -1.08 0.00 0.00 179.45 177.88 2da3 h TYR 36 N 0.06 -0.25 -1.04 -1.35 5.03 0.52 0.34 116.97 120.29 2da3 h TYR 36 Ca -0.01 -0.01 0.28 0.00 2.58 0.00 0.00 58.73 61.57 2da3 h TYR 36 Cb 1.22 0.08 -0.12 0.00 1.55 0.00 0.00 36.73 39.47 2da3 h TYR 36 CO 0.01 0.13 0.63 -0.07 -1.32 0.00 0.00 178.16 177.53 2da3 h LEU 37 N -0.93 0.55 0.04 2.82 3.38 -0.70 0.19 115.31 120.65 2da3 h LEU 37 Ca -0.03 0.13 -0.28 0.00 0.09 0.00 0.00 57.88 57.79 2da3 h LEU 37 Cb 0.48 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 2da3 h LEU 37 CO 0.04 0.03 -1.51 0.17 0.09 0.00 0.00 178.44 177.27 2da3 h LEU 38 N 0.44 0.12 -6.45 1.67 8.10 -1.58 -3.44 115.31 114.17 2da3 h LEU 38 Ca 0.66 -0.19 -0.21 0.00 0.11 0.00 0.00 57.88 58.25 2da3 h LEU 38 Cb 1.49 -0.04 -0.30 0.00 -0.44 0.00 0.00 40.66 41.36 2da3 h LEU 38 CO -0.44 1.16 -0.54 -0.62 -4.11 0.00 0.00 178.44 173.89 2da3 s ASP 39 N -6.51 0.64 0.00 0.17 2.15 0.12 -4.99 116.67 108.25 2da3 s ASP 39 Ca -0.05 -0.18 0.15 0.00 0.43 0.00 0.00 52.55 52.89 2da3 s ASP 39 Cb 0.08 0.94 0.33 0.00 -0.30 0.00 0.00 42.92 43.97 2da3 s ASP 39 CO 0.83 -0.34 1.24 -1.54 -0.17 0.00 0.00 175.17 175.19 2da3 n SER 40 N 5.35 2.97 -2.50 -0.34 3.41 -0.76 -3.58 113.62 118.17 2da3 n SER 40 Ca -0.02 -1.89 -0.18 0.00 -0.26 0.00 0.00 58.87 56.52 2da3 n SER 40 Cb 0.49 -0.22 0.02 0.00 -0.26 0.00 0.00 64.21 64.24 2da3 n SER 40 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2da3 n ASN 41 N 0.90 3.40 -3.32 4.04 3.02 -1.26 -4.95 115.26 117.08 2da3 n ASN 41 Ca 0.14 -3.22 -0.23 0.00 -0.03 0.00 0.00 54.58 51.24 2da3 n ASN 41 Cb 0.46 -0.46 0.20 0.00 -0.61 0.00 0.00 39.78 39.36 2da3 n ASN 41 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2da3 n PRO 42 N -0.41 -2.70 -4.40 3.52 -0.04 -1.26 -5.09 135.00 124.62 2da3 n PRO 42 Ca 0.27 -1.36 -0.20 0.00 -0.04 0.00 0.00 63.50 62.17 2da3 n PRO 42 Cb 0.78 -1.28 -0.10 0.00 -0.04 0.00 0.00 33.50 32.86 2da3 n PRO 42 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2da3 s THR 43 N -2.54 1.63 0.32 0.52 -1.32 -1.26 -4.97 115.64 108.02 2da3 s THR 43 Ca 0.55 -2.14 0.12 0.00 -1.21 0.00 0.00 61.69 59.01 2da3 s THR 43 Cb -0.05 -2.32 0.36 0.00 -1.51 0.00 0.00 72.50 68.97 2da3 s THR 43 CO 0.43 -0.39 1.47 -1.14 -2.21 0.00 0.00 174.62 172.78 2da3 n ARG 44 N -0.51 -0.06 0.04 7.08 3.00 -1.26 0.69 116.66 125.64 2da3 n ARG 44 Ca -0.06 1.34 -0.11 0.00 -0.00 0.00 0.00 57.85 59.02 2da3 n ARG 44 Cb 0.62 -2.28 -0.04 0.00 0.00 0.00 0.00 32.46 30.76 2da3 n ARG 44 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2da3 h LYS 45 N 0.00 -0.23 0.55 -0.14 1.63 -2.00 -2.04 116.57 114.34 2da3 h LYS 45 Ca 0.69 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.48 2da3 h LYS 45 Cb 1.68 0.05 0.01 0.00 -0.60 0.00 0.00 32.23 33.37 2da3 h LYS 45 CO -0.79 -0.15 -0.26 0.52 -3.45 0.00 0.00 179.45 175.31 2da3 h MET 46 N -0.24 -0.71 -1.04 1.90 2.86 -0.12 -2.71 114.93 114.86 2da3 h MET 46 Ca 0.06 0.05 0.39 0.00 -2.06 0.00 0.00 59.70 58.14 2da3 h MET 46 Cb 0.32 0.16 -0.16 0.00 0.06 0.00 0.00 31.60 31.98 2da3 h MET 46 CO -0.17 -0.42 0.59 -0.07 1.06 0.00 0.00 176.91 177.89 2da3 h LEU 47 N -0.87 0.37 -0.10 1.22 3.38 -1.05 0.61 115.31 118.87 2da3 h LEU 47 Ca -0.08 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2da3 h LEU 47 Cb 0.62 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2da3 h LEU 47 CO 0.12 -0.32 -0.01 -0.78 0.09 0.00 0.00 178.44 177.55 2da3 h ASP 48 N 0.11 0.17 0.86 -0.43 1.82 -1.14 -1.73 116.42 116.08 2da3 h ASP 48 Ca 0.81 -0.33 -0.04 0.00 -0.39 0.00 0.00 57.03 57.09 2da3 h ASP 48 Cb 2.12 -0.05 0.01 0.00 0.68 0.00 0.00 39.33 42.09 2da3 h ASP 48 CO -0.68 0.46 -0.41 -0.74 -1.61 0.00 0.00 179.24 176.25 2da3 h HIS 49 N -0.12 -1.07 -0.61 0.28 2.76 0.41 -0.61 115.15 116.18 2da3 h HIS 49 Ca 0.03 -0.03 0.13 0.00 -2.20 0.00 0.00 60.37 58.30 2da3 h HIS 49 Cb 0.37 0.35 -0.11 0.00 1.55 0.00 0.00 27.41 29.58 2da3 h HIS 49 CO 0.04 -0.66 -0.06 0.82 -1.30 0.00 0.00 177.93 176.77 2da3 h ILE 50 N -1.26 0.45 0.00 6.26 2.04 -0.94 0.68 117.51 124.75 2da3 h ILE 50 Ca -0.12 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 2da3 h ILE 50 Cb 0.89 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2da3 h ILE 50 CO 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 178.15 178.34 2da3 h ALA 51 N 1.58 1.02 0.12 1.87 0.00 -1.26 -0.46 119.26 122.13 2da3 h ALA 51 Ca 0.31 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.92 2da3 h ALA 51 Cb 0.50 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2da3 h ALA 51 CO -0.57 0.02 -1.39 1.25 0.00 0.00 0.00 179.25 178.56 2da3 h HIS 52 N 0.00 0.44 0.22 0.00 -0.00 0.19 -2.05 115.15 113.95 2da3 h HIS 52 Ca -0.00 -0.32 -0.33 0.00 -0.00 0.00 0.00 60.37 59.72 2da3 h HIS 52 Cb 0.33 -0.02 0.04 0.00 -0.00 0.00 0.00 27.41 27.75 2da3 h HIS 52 CO 0.00 1.31 -1.42 1.05 -0.00 0.00 0.00 177.93 178.88 2da3 h GLU 53 N 0.07 0.56 0.00 5.26 4.11 -0.41 -3.27 114.58 120.89 2da3 h GLU 53 Ca -0.19 -0.89 -0.07 0.00 0.07 0.00 0.00 59.36 58.28 2da3 h GLU 53 Cb 1.99 0.32 -0.01 0.00 0.50 0.00 0.00 28.75 31.55 2da3 h GLU 53 CO 0.18 1.42 -0.32 0.28 0.07 0.00 0.00 179.01 180.64 2da3 h VAL 54 N 0.18 0.68 -1.12 -1.06 2.07 -1.23 -3.47 116.25 112.30 2da3 h VAL 54 Ca -0.24 -1.49 -0.05 0.00 0.82 0.00 0.00 66.70 65.75 2da3 h VAL 54 Cb 2.10 1.99 0.01 0.00 -1.52 0.00 0.00 31.29 33.87 2da3 h VAL 54 CO 0.27 0.31 -0.07 0.61 0.02 0.00 0.00 177.57 178.71 2da3 n GLY 55 N 0.50 0.60 3.19 2.17 0.00 -0.94 -4.95 105.19 105.76 2da3 n GLY 55 Ca 0.01 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 2da3 n GLY 55 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2da3 s LEU 56 N -1.35 2.06 0.00 0.99 2.96 -0.81 -4.88 118.68 117.64 2da3 s LEU 56 Ca 0.04 -0.37 -0.34 0.00 -0.22 0.00 0.00 54.13 53.25 2da3 s LEU 56 Cb -0.02 -0.95 -0.17 0.00 0.50 0.00 0.00 46.19 45.56 2da3 s LEU 56 CO 0.05 0.21 0.90 0.29 -1.32 0.00 0.00 176.35 176.49 2da3 n LYS 57 N 2.48 0.00 -0.29 1.98 4.76 -1.26 -4.62 118.16 121.21 2da3 n LYS 57 Ca -0.15 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.33 2da3 n LYS 57 Cb 0.54 -1.26 0.19 0.00 -1.84 0.00 0.00 35.03 32.65 2da3 n LYS 57 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2da3 h LYS 58 N 2.52 0.67 0.41 1.97 3.11 -1.90 -0.68 116.57 122.67 2da3 h LYS 58 Ca -0.43 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.35 2da3 h LYS 58 Cb 1.21 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 32.29 2da3 h LYS 58 CO 0.55 0.44 -0.20 -0.09 -2.81 0.00 0.00 179.45 177.35 2da3 h ARG 59 N 0.69 -0.53 -0.27 1.90 9.65 -1.95 0.41 114.38 124.28 2da3 h ARG 59 Ca 0.42 0.04 0.08 0.00 -1.10 0.00 0.00 59.98 59.42 2da3 h ARG 59 Cb 0.50 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.19 2da3 h ARG 59 CO -0.30 -0.33 0.20 0.28 2.80 0.00 0.00 179.97 182.61 2da3 h VAL 60 N -0.58 0.84 0.12 0.20 2.07 -1.77 0.29 116.25 117.42 2da3 h VAL 60 Ca -0.06 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.17 2da3 h VAL 60 Cb 0.44 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2da3 h VAL 60 CO 0.09 0.00 -1.37 0.58 0.02 0.00 0.00 177.57 176.89 2da3 h VAL 61 N 0.00 1.34 -0.05 2.57 2.07 -0.64 -2.67 116.25 118.86 2da3 h VAL 61 Ca 0.13 -2.94 -0.02 0.00 0.82 0.00 0.00 66.70 64.69 2da3 h VAL 61 Cb 0.53 2.86 -0.00 0.00 -1.52 0.00 0.00 31.29 33.16 2da3 h VAL 61 CO -0.00 0.85 -0.04 -0.61 0.02 0.00 0.00 177.57 177.80 2da3 h GLN 62 N 0.07 0.12 -0.50 1.57 4.15 0.10 -3.21 115.11 117.41 2da3 h GLN 62 Ca -0.18 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.08 2da3 h GLN 62 Cb 2.00 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.67 2da3 h GLN 62 CO 0.19 0.54 -0.07 0.28 -1.93 0.00 0.00 178.83 177.83 2da3 h VAL 63 N -0.29 1.26 -0.27 2.39 2.07 -1.13 -2.54 116.25 117.74 2da3 h VAL 63 Ca 0.01 -1.17 0.08 0.00 0.82 0.00 0.00 66.70 66.44 2da3 h VAL 63 Cb 0.51 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2da3 h VAL 63 CO 0.01 0.41 0.43 -0.25 0.02 0.00 0.00 177.57 178.19 2da3 h TRP 64 N 0.81 0.00 0.03 1.57 7.01 -1.48 0.10 115.95 123.99 2da3 h TRP 64 Ca 0.14 0.00 -0.16 0.00 2.11 0.00 0.00 58.89 60.98 2da3 h TRP 64 Cb 0.59 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.63 2da3 h TRP 64 CO 0.03 0.00 -0.86 0.74 -2.79 0.00 0.00 178.44 175.56 2da3 h PHE 65 N 0.00 0.10 -0.05 2.65 -1.00 -1.47 -2.95 116.94 114.22 2da3 h PHE 65 Ca 0.13 -0.08 -0.02 0.00 2.81 0.00 0.00 57.97 60.81 2da3 h PHE 65 Cb 0.99 -0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.54 2da3 h PHE 65 CO 0.00 1.34 -0.06 -0.56 -1.61 0.00 0.00 178.31 177.42 2da3 h GLN 66 N -0.84 0.07 0.11 1.51 3.07 -1.12 -2.18 115.11 115.73 2da3 h GLN 66 Ca -0.22 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.51 2da3 h GLN 66 Cb 1.30 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.85 2da3 h GLN 66 CO -0.08 0.14 -0.05 -0.91 0.09 0.00 0.00 178.83 178.02 2da3 h ASN 67 N 0.07 -0.13 -0.99 0.06 2.35 -1.00 -3.13 115.58 112.82 2da3 h ASN 67 Ca 0.02 -0.40 0.21 0.00 -0.55 0.00 0.00 56.30 55.58 2da3 h ASN 67 Cb 0.15 0.03 -0.10 0.00 0.05 0.00 0.00 38.32 38.46 2da3 h ASN 67 CO 0.01 0.49 0.62 0.74 -1.65 0.00 0.00 177.43 177.64 2da3 h THR 68 N -0.92 0.65 0.31 2.81 2.02 -1.39 -1.15 112.91 115.24 2da3 h THR 68 Ca -0.02 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 2da3 h THR 68 Cb 0.52 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 2da3 h THR 68 CO 0.03 0.11 -0.15 0.03 0.37 0.00 0.00 175.52 175.91 2da3 h ARG 69 N 0.59 -0.40 0.15 6.66 3.08 -1.47 0.55 114.38 123.54 2da3 h ARG 69 Ca 0.56 0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.65 2da3 h ARG 69 Cb 1.11 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.22 2da3 h ARG 69 CO -0.32 -0.24 -0.27 0.00 -1.07 0.00 0.00 179.97 178.07 2da3 h ALA 70 N 0.25 -0.47 -0.55 0.04 0.00 -1.19 -2.24 119.26 115.10 2da3 h ALA 70 Ca -0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2da3 h ALA 70 Cb 0.34 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2da3 h ALA 70 CO 0.07 -0.81 0.20 0.07 0.00 0.00 0.00 179.25 178.78 2da3 h ARG 71 N -0.49 0.80 -0.44 0.00 0.11 -1.29 -2.06 114.38 111.00 2da3 h ARG 71 Ca 0.02 -0.13 0.12 0.00 0.10 0.00 0.00 59.98 60.09 2da3 h ARG 71 Cb 0.51 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 31.43 2da3 h ARG 71 CO -0.13 0.68 0.31 0.93 0.10 0.00 0.00 179.97 181.86 2da3 h GLU 72 N 0.79 0.05 0.06 0.08 4.39 0.68 -1.12 114.58 119.50 2da3 h GLU 72 Ca 0.19 -0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.60 2da3 h GLU 72 Cb 0.19 -0.01 0.03 0.00 -0.10 0.00 0.00 28.75 28.85 2da3 h GLU 72 CO -0.01 0.03 -1.12 0.00 -1.16 0.00 0.00 179.01 176.75 2da3 h ARG 73 N 0.05 0.66 -6.09 2.33 3.08 -0.91 -3.46 114.38 110.05 2da3 h ARG 73 Ca 0.21 -0.79 -0.79 0.00 0.07 0.00 0.00 59.98 58.68 2da3 h ARG 73 Cb 0.77 0.24 0.02 0.00 0.08 0.00 0.00 29.97 31.08 2da3 h ARG 73 CO -0.01 1.35 0.62 1.63 -1.07 0.00 0.00 179.97 182.49 2da3 n LYS 74 N -3.84 0.54 -1.48 0.04 5.02 -0.43 -4.71 118.16 113.31 2da3 n LYS 74 Ca -0.12 0.20 -0.51 0.00 -2.02 0.00 0.00 58.31 55.85 2da3 n LYS 74 Cb 0.92 -1.78 -0.07 0.00 -0.02 0.00 0.00 35.03 34.09 2da3 n LYS 74 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2da3 n SER 75 N 3.84 2.21 0.00 4.39 3.41 -1.26 -4.52 113.62 121.69 2da3 n SER 75 Ca 0.26 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.37 2da3 n SER 75 Cb 0.06 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 62.76 2da3 n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2da3 n GLY 76 N 6.26 -0.64 0.00 5.00 0.00 -1.26 -4.67 105.19 109.88 2da3 n GLY 76 Ca 0.39 -1.45 0.07 0.00 0.00 0.00 0.00 46.02 45.04 2da3 n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2da3 n PRO 77 N 0.12 0.26 -0.34 1.61 -0.04 -1.26 -3.79 135.00 131.56 2da3 n PRO 77 Ca 0.00 0.12 0.13 0.00 -0.04 0.00 0.00 63.50 63.71 2da3 n PRO 77 Cb 0.00 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.23 2da3 n PRO 77 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2da3 h SER 78 N 0.00 -0.53 -5.78 3.54 0.87 -1.90 -3.45 113.55 106.30 2da3 h SER 78 Ca 0.00 0.28 -0.37 0.00 -1.23 0.00 0.00 61.79 60.47 2da3 h SER 78 Cb 0.11 0.50 0.14 0.00 -0.44 0.00 0.00 62.40 62.72 2da3 h SER 78 CO 0.00 -0.35 -0.74 -0.24 -0.53 0.00 0.00 176.83 174.97 2da3 n SER 79 N -5.50 -3.84 0.00 6.23 2.88 -1.25 -5.23 113.62 106.91 2da3 n SER 79 Ca 0.22 -0.61 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 2da3 n SER 79 Cb 0.72 -4.98 0.00 0.00 -0.75 0.00 0.00 64.21 59.20 2da3 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42