#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2da3 h SER 2 N 0.00 -1.16 -3.26 1.61 0.87 -2.03 -3.42 113.55 106.16 2da3 h SER 2 Ca 0.00 0.16 -0.57 0.00 -1.23 0.00 0.00 61.79 60.16 2da3 h SER 2 Cb 0.00 0.49 0.18 0.00 -0.44 0.00 0.00 62.40 62.63 2da3 h SER 2 CO 0.00 -0.39 -0.29 -1.54 -0.53 0.00 0.00 176.83 174.09 2da3 n SER 3 N -5.42 -0.77 -3.51 6.23 3.41 -1.26 -4.91 113.62 107.39 2da3 n SER 3 Ca -0.03 0.65 -0.38 0.00 -0.26 0.00 0.00 58.87 58.85 2da3 n SER 3 Cb 0.35 -1.25 0.01 0.00 -0.26 0.00 0.00 64.21 63.06 2da3 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2da3 n GLY 4 N 1.58 5.98 0.10 5.00 0.00 -1.26 -4.69 105.19 111.90 2da3 n GLY 4 Ca 0.11 -2.63 -0.14 0.00 0.00 0.00 0.00 46.02 43.36 2da3 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2da3 n SER 5 N -0.02 1.91 0.13 1.61 7.64 -1.26 -4.66 113.62 118.96 2da3 n SER 5 Ca 0.42 0.41 -0.13 0.00 1.01 0.00 0.00 58.87 60.58 2da3 n SER 5 Cb 0.29 -0.81 -0.08 0.00 -1.01 0.00 0.00 64.21 62.60 2da3 n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2da3 h SER 6 N -1.00 -0.27 0.00 6.43 0.02 -1.96 -3.49 113.55 113.27 2da3 h SER 6 Ca -0.19 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2da3 h SER 6 Cb 1.06 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2da3 h SER 6 CO -0.11 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 176.24 2da3 n GLY 7 N -0.39 -1.70 2.25 -3.77 0.00 -1.26 -5.17 105.19 95.15 2da3 n GLY 7 Ca -0.09 0.66 -0.05 0.00 0.00 0.00 0.00 46.02 46.54 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 0.00 1.38 3.71 -0.02 0.00 -1.26 -4.83 105.19 104.17 2da3 n GLY 8 Ca 0.00 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 2da3 n GLY 8 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2da3 n THR 9 N -0.32 2.36 0.00 2.61 -2.24 -1.26 -4.98 114.28 110.45 2da3 n THR 9 Ca -0.05 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2da3 n THR 9 Cb 0.36 -1.63 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 2da3 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2da3 n GLY 10 N 0.74 -1.84 0.00 3.38 0.00 -1.26 -5.05 105.19 101.16 2da3 n GLY 10 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2da3 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2da3 n GLY 11 N 0.00 -1.96 3.68 -0.02 0.00 -1.26 -5.12 105.19 100.51 2da3 n GLY 11 Ca 0.00 0.67 -0.43 0.00 0.00 0.00 0.00 46.02 46.26 2da3 n GLY 11 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2da3 s GLU 12 N 0.00 4.31 0.13 1.61 2.56 -1.26 -5.02 118.70 121.03 2da3 s GLU 12 Ca 0.00 1.64 0.05 0.00 0.00 0.00 0.00 54.97 56.66 2da3 s GLU 12 Cb 0.00 -3.63 -0.04 0.00 2.00 0.00 0.00 34.13 32.46 2da3 s GLU 12 CO 0.00 -0.54 -0.11 -1.21 -0.56 0.00 0.00 175.26 172.84 2da3 s GLU 13 N 2.71 1.02 0.00 4.30 0.41 -1.26 -5.02 118.70 120.86 2da3 s GLU 13 Ca 0.55 -1.35 0.09 0.00 -0.41 0.00 0.00 54.97 53.85 2da3 s GLU 13 Cb -0.23 -0.70 0.54 0.00 -1.78 0.00 0.00 34.13 31.96 2da3 s GLU 13 CO 0.18 0.11 0.98 -0.35 -0.49 0.00 0.00 175.26 175.69 2da3 n PRO 14 N 0.12 0.49 -2.68 0.39 -0.04 -1.26 -4.66 135.00 127.36 2da3 n PRO 14 Ca -0.13 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.91 2da3 n PRO 14 Cb 0.59 -1.29 -0.03 0.00 -0.04 0.00 0.00 33.50 32.74 2da3 n PRO 14 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2da3 s GLN 15 N -2.00 3.52 0.01 0.54 1.11 -1.26 -5.00 119.66 116.58 2da3 s GLN 15 Ca 0.14 0.19 0.03 0.00 0.01 0.00 0.00 55.36 55.73 2da3 s GLN 15 Cb 0.06 -3.99 -0.01 0.00 -1.01 0.00 0.00 33.01 28.06 2da3 s GLN 15 CO 0.10 -1.51 -0.08 -0.98 0.01 0.00 0.00 175.29 172.83 2da3 s ARG 16 N 4.46 0.63 -0.16 2.91 1.70 -1.26 -5.14 118.95 122.08 2da3 s ARG 16 Ca 0.40 -0.43 -0.07 0.00 -0.47 0.00 0.00 55.73 55.16 2da3 s ARG 16 Cb -0.09 -0.58 -0.04 0.00 -0.57 0.00 0.00 34.95 33.67 2da3 s ARG 16 CO 0.26 0.15 0.07 0.16 -1.08 0.00 0.00 175.30 174.85 2da3 s ASP 17 N -0.59 5.72 -0.22 -2.89 1.47 -1.26 -5.01 116.67 113.89 2da3 s ASP 17 Ca 0.00 0.15 -0.16 0.00 1.18 0.00 0.00 52.55 53.72 2da3 s ASP 17 Cb -0.05 -1.93 -0.09 0.00 -0.34 0.00 0.00 42.92 40.51 2da3 s ASP 17 CO 0.00 0.23 -0.27 1.17 0.68 0.00 0.00 175.17 176.98 2da3 n LYS 18 N 3.16 0.55 -2.13 2.11 3.00 -1.26 -4.89 118.16 118.69 2da3 n LYS 18 Ca -0.17 0.31 -0.43 0.00 -0.00 0.00 0.00 58.31 58.02 2da3 n LYS 18 Cb 0.53 -1.52 -0.03 0.00 0.00 0.00 0.00 35.03 34.01 2da3 n LYS 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2da3 s ARG 19 N -2.61 3.94 0.07 1.64 3.52 -1.26 -4.99 118.95 119.26 2da3 s ARG 19 Ca -0.31 1.78 0.03 0.00 -0.13 0.00 0.00 55.73 57.10 2da3 s ARG 19 Cb 0.08 -3.99 -0.03 0.00 -1.56 0.00 0.00 34.95 29.45 2da3 s ARG 19 CO 0.45 -1.11 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.22 2da3 s LEU 20 N 4.69 2.34 0.52 -0.88 1.43 -1.26 -5.13 118.68 120.39 2da3 s LEU 20 Ca 0.69 -0.70 -0.19 0.00 -1.03 0.00 0.00 54.13 52.91 2da3 s LEU 20 Cb -0.26 -0.29 -0.07 0.00 0.03 0.00 0.00 46.19 45.60 2da3 s LEU 20 CO 0.27 -0.22 1.04 -0.13 0.23 0.00 0.00 176.35 177.55 2da3 s ARG 21 N -2.25 3.67 -0.14 1.70 0.52 -1.26 -4.94 118.95 116.24 2da3 s ARG 21 Ca -0.01 1.32 -0.26 0.00 -0.52 0.00 0.00 55.73 56.27 2da3 s ARG 21 Cb -0.06 -2.08 -0.26 0.00 0.52 0.00 0.00 34.95 33.08 2da3 s ARG 21 CO 0.00 -0.54 0.66 1.79 0.02 0.00 0.00 175.30 177.24 2da3 h THR 22 N 1.25 1.53 -3.21 0.02 1.35 -2.01 -3.39 112.91 108.46 2da3 h THR 22 Ca -0.49 -2.35 -0.40 0.00 -0.55 0.00 0.00 66.41 62.62 2da3 h THR 22 Cb 1.22 3.09 0.21 0.00 -1.73 0.00 0.00 68.15 70.94 2da3 h THR 22 CO 0.59 0.57 -0.03 0.42 -0.25 0.00 0.00 175.52 176.82 2da3 s THR 23 N -2.30 1.52 0.19 6.82 -4.23 -1.26 -4.94 115.64 111.44 2da3 s THR 23 Ca -0.20 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.41 2da3 s THR 23 Cb -0.00 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.63 2da3 s THR 23 CO 0.70 0.00 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.99 2da3 s ILE 24 N -2.48 2.84 0.16 2.99 1.01 -1.26 -4.99 121.20 119.48 2da3 s ILE 24 Ca 0.69 -1.82 0.06 0.00 0.00 0.00 0.00 60.65 59.58 2da3 s ILE 24 Cb -0.16 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 2da3 s ILE 24 CO 0.59 -0.12 0.07 0.42 0.00 0.00 0.00 174.94 175.90 2da3 s THR 25 N -1.70 4.12 -0.63 2.92 -4.23 -1.26 -5.01 115.64 109.85 2da3 s THR 25 Ca 0.23 -1.22 0.21 0.00 -1.18 0.00 0.00 61.69 59.73 2da3 s THR 25 Cb -0.08 -3.08 0.21 0.00 1.34 0.00 0.00 72.50 70.88 2da3 s THR 25 CO 0.13 -0.09 1.63 -0.81 -0.54 0.00 0.00 174.62 174.94 2da3 n PRO 26 N -0.18 0.14 0.03 3.99 -0.04 -1.26 -2.11 135.00 135.57 2da3 n PRO 26 Ca -0.09 0.38 0.10 0.00 -0.04 0.00 0.00 63.50 63.85 2da3 n PRO 26 Cb 0.55 -1.76 -0.11 0.00 -0.04 0.00 0.00 33.50 32.14 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 -2.02 0.64 -0.00 0.54 1.02 -1.26 -4.34 120.64 115.22 2da3 n GLU 27 Ca 0.02 -0.07 -0.21 0.00 -0.02 0.00 0.00 57.16 56.88 2da3 n GLU 27 Cb 0.21 -1.64 -0.14 0.00 -0.02 0.00 0.00 31.44 29.86 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 0.22 -0.67 3.49 4.20 -1.83 -3.38 115.11 117.15 2da3 h GLN 28 Ca -0.02 -0.37 0.11 0.00 0.06 0.00 0.00 58.65 58.43 2da3 h GLN 28 Cb 1.06 0.14 -0.12 0.00 0.30 0.00 0.00 27.48 28.86 2da3 h GLN 28 CO 0.00 1.18 -0.36 -0.07 -0.67 0.00 0.00 178.83 178.91 2da3 h LEU 29 N -0.36 -1.26 -0.71 1.46 3.38 -1.63 -1.42 115.31 114.78 2da3 h LEU 29 Ca -0.30 0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.98 2da3 h LEU 29 Cb 1.71 0.62 -0.09 0.00 0.09 0.00 0.00 40.66 43.00 2da3 h LEU 29 CO 0.04 -0.30 -0.40 -0.62 0.09 0.00 0.00 178.44 177.25 2da3 n GLU 30 N -5.44 -0.29 -0.24 1.13 -0.58 -1.26 0.16 120.64 114.13 2da3 n GLU 30 Ca 0.05 1.07 0.02 0.00 -0.42 0.00 0.00 57.16 57.89 2da3 n GLU 30 Cb 0.36 -1.58 0.15 0.00 -0.57 0.00 0.00 31.44 29.80 2da3 n GLU 30 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2da3 h ILE 31 N 0.00 0.76 -0.12 -3.67 2.04 -1.48 0.12 117.51 115.16 2da3 h ILE 31 Ca 0.13 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2da3 h ILE 31 Cb 0.31 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2da3 h ILE 31 CO -0.67 0.09 0.06 -0.07 0.00 0.00 0.00 178.15 177.56 2da3 h LEU 32 N 0.49 0.15 -0.47 1.44 3.38 0.18 -1.87 115.31 118.62 2da3 h LEU 32 Ca 0.36 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2da3 h LEU 32 Cb 0.47 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2da3 h LEU 32 CO -0.33 0.21 0.31 1.88 0.09 0.00 0.00 178.44 180.60 2da3 h TYR 33 N 0.09 0.59 -0.75 1.13 0.05 0.27 -0.13 116.97 118.22 2da3 h TYR 33 Ca 0.04 0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.88 2da3 h TYR 33 Cb 0.09 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.59 2da3 h TYR 33 CO -0.04 0.37 0.49 1.96 -1.05 0.00 0.00 178.16 179.90 2da3 h GLN 34 N 0.63 0.84 -0.00 4.88 1.08 -0.63 0.20 115.11 122.11 2da3 h GLN 34 Ca 0.17 -0.05 -0.18 0.00 -1.45 0.00 0.00 58.65 57.14 2da3 h GLN 34 Cb -0.07 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.16 2da3 h GLN 34 CO -0.04 0.55 -0.82 0.87 -0.95 0.00 0.00 178.83 178.45 2da3 h LYS 35 N 0.86 0.13 -0.02 1.46 1.79 -0.73 -3.15 116.57 116.91 2da3 h LYS 35 Ca 0.31 -0.14 -0.03 0.00 -2.18 0.00 0.00 60.65 58.61 2da3 h LYS 35 Cb 0.14 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2da3 h LYS 35 CO -0.10 0.88 -0.12 -0.92 -1.08 0.00 0.00 179.45 178.11 2da3 h TYR 36 N 0.08 0.16 -0.97 -1.35 5.03 0.06 0.19 116.97 120.17 2da3 h TYR 36 Ca -0.03 -0.07 0.18 0.00 2.58 0.00 0.00 58.73 61.39 2da3 h TYR 36 Cb 1.43 -0.02 -0.10 0.00 1.55 0.00 0.00 36.73 39.58 2da3 h TYR 36 CO 0.02 0.78 0.57 -0.07 -1.32 0.00 0.00 178.16 178.13 2da3 h LEU 37 N -0.51 0.72 0.00 2.82 3.38 -0.73 -0.40 115.31 120.59 2da3 h LEU 37 Ca -0.01 0.10 -0.25 0.00 0.09 0.00 0.00 57.88 57.81 2da3 h LEU 37 Cb 0.80 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 2da3 h LEU 37 CO 0.02 0.26 -1.36 0.17 0.09 0.00 0.00 178.44 177.62 2da3 h LEU 38 N 0.73 0.00 -6.25 1.67 8.10 -1.58 -3.44 115.31 114.53 2da3 h LEU 38 Ca 0.55 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 58.46 2da3 h LEU 38 Cb 0.84 0.00 -0.26 0.00 -0.44 0.00 0.00 40.66 40.80 2da3 h LEU 38 CO -0.38 0.96 -0.44 -0.62 -4.11 0.00 0.00 178.44 173.85 2da3 s ASP 39 N -6.34 -0.32 0.00 0.17 2.15 0.66 -5.00 116.67 108.00 2da3 s ASP 39 Ca -0.02 0.19 0.19 0.00 0.43 0.00 0.00 52.55 53.33 2da3 s ASP 39 Cb 0.09 1.47 0.48 0.00 -0.30 0.00 0.00 42.92 44.65 2da3 s ASP 39 CO 0.82 -0.31 1.39 -1.54 -0.17 0.00 0.00 175.17 175.37 2da3 n SER 40 N 5.38 3.46 -2.43 -0.34 3.41 -0.73 -3.53 113.62 118.84 2da3 n SER 40 Ca -0.01 -1.97 -0.18 0.00 -0.26 0.00 0.00 58.87 56.46 2da3 n SER 40 Cb 0.51 -0.34 0.02 0.00 -0.26 0.00 0.00 64.21 64.14 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 1.24 3.59 -4.77 4.04 5.03 -1.26 -4.96 115.26 118.17 2da3 n ASN 41 Ca 0.19 -3.22 -0.34 0.00 0.87 0.00 0.00 54.58 52.08 2da3 n ASN 41 Cb 0.55 -0.44 0.03 0.00 -1.02 0.00 0.00 39.78 38.90 2da3 n ASN 41 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2da3 s PRO 42 N -3.53 2.98 0.30 3.52 0.04 -1.26 -5.06 135.00 131.98 2da3 s PRO 42 Ca 0.41 1.45 0.07 0.00 0.04 0.00 0.00 61.00 62.97 2da3 s PRO 42 Cb 0.40 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.95 2da3 s PRO 42 CO -0.05 -1.12 0.34 -0.08 0.04 0.00 0.00 177.00 176.13 2da3 s THR 43 N -2.17 4.28 0.28 1.26 -1.32 -1.26 -4.82 115.64 111.89 2da3 s THR 43 Ca 0.69 -1.18 0.13 0.00 -1.21 0.00 0.00 61.69 60.12 2da3 s THR 43 Cb -0.21 -3.45 0.29 0.00 -1.51 0.00 0.00 72.50 67.62 2da3 s THR 43 CO 0.37 -0.24 1.25 -1.14 -2.21 0.00 0.00 174.62 172.65 2da3 n ARG 44 N -1.42 -0.05 -0.12 7.08 3.00 -1.26 0.16 116.66 124.05 2da3 n ARG 44 Ca -0.04 1.12 -0.05 0.00 -0.00 0.00 0.00 57.85 58.88 2da3 n ARG 44 Cb 0.58 -1.95 0.02 0.00 0.00 0.00 0.00 32.46 31.11 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 0.06 0.05 -0.14 1.63 -2.00 -0.81 116.57 115.36 2da3 h LYS 45 Ca 0.63 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.43 2da3 h LYS 45 Cb 1.61 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.23 2da3 h LYS 45 CO -0.64 0.04 -0.02 0.52 -3.45 0.00 0.00 179.45 175.90 2da3 h MET 46 N 0.07 -0.06 -1.33 1.90 2.86 0.11 -2.99 114.93 115.47 2da3 h MET 46 Ca 0.19 0.00 0.39 0.00 -2.06 0.00 0.00 59.70 58.22 2da3 h MET 46 Cb 0.28 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.88 2da3 h MET 46 CO -0.35 0.53 0.93 -0.07 1.06 0.00 0.00 176.91 179.01 2da3 h LEU 47 N -0.74 0.12 -0.02 1.22 3.38 -0.95 0.41 115.31 118.74 2da3 h LEU 47 Ca -0.01 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2da3 h LEU 47 Cb 0.62 0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.41 2da3 h LEU 47 CO 0.01 -0.01 -0.40 -0.78 0.09 0.00 0.00 178.44 177.35 2da3 h ASP 48 N 0.08 0.38 0.50 -0.43 3.58 -1.14 -2.88 116.42 116.50 2da3 h ASP 48 Ca 0.68 -0.74 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 2da3 h ASP 48 Cb 2.47 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 43.41 2da3 h ASP 48 CO -0.13 1.07 -0.24 -0.74 -2.88 0.00 0.00 179.24 176.32 2da3 h HIS 49 N -0.28 -0.62 -0.61 0.28 2.76 -0.20 -2.17 115.15 114.31 2da3 h HIS 49 Ca -0.05 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.24 2da3 h HIS 49 Cb 1.12 0.21 -0.11 0.00 1.55 0.00 0.00 27.41 30.17 2da3 h HIS 49 CO 0.16 -0.30 -0.07 0.82 -1.30 0.00 0.00 177.93 177.23 2da3 h ILE 50 N -0.92 0.44 0.00 6.26 2.04 -0.81 0.77 117.51 125.29 2da3 h ILE 50 Ca -0.07 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2da3 h ILE 50 Cb 0.60 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2da3 h ILE 50 CO 0.11 0.01 0.00 0.00 0.00 0.00 0.00 178.15 178.27 2da3 h ALA 51 N 1.59 1.00 0.07 1.87 0.00 -1.49 -0.11 119.26 122.19 2da3 h ALA 51 Ca 0.31 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.94 2da3 h ALA 51 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2da3 h ALA 51 CO -0.58 0.00 -1.43 1.25 0.00 0.00 0.00 179.25 178.49 2da3 h HIS 52 N 0.00 0.27 0.20 0.00 -0.00 0.11 -2.39 115.15 113.35 2da3 h HIS 52 Ca 0.00 -0.20 -0.32 0.00 -0.00 0.00 0.00 60.37 59.85 2da3 h HIS 52 Cb 0.23 -0.01 0.02 0.00 -0.00 0.00 0.00 27.41 27.65 2da3 h HIS 52 CO 0.00 1.23 -1.47 1.05 -0.00 0.00 0.00 177.93 178.74 2da3 h GLU 53 N 0.04 0.42 0.00 5.26 4.11 -0.35 -3.30 114.58 120.77 2da3 h GLU 53 Ca -0.19 -0.72 -0.11 0.00 0.07 0.00 0.00 59.36 58.41 2da3 h GLU 53 Cb 1.96 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 31.46 2da3 h GLU 53 CO 0.14 1.33 -0.51 0.28 0.07 0.00 0.00 179.01 180.33 2da3 h VAL 54 N 0.12 0.98 -0.97 -1.06 2.07 -1.18 -3.48 116.25 112.72 2da3 h VAL 54 Ca -0.24 -2.07 -0.05 0.00 0.82 0.00 0.00 66.70 65.16 2da3 h VAL 54 Cb 2.10 2.26 0.01 0.00 -1.52 0.00 0.00 31.29 34.14 2da3 h VAL 54 CO 0.23 0.50 -0.08 0.61 0.02 0.00 0.00 177.57 178.85 2da3 n GLY 55 N 0.81 0.49 3.32 2.17 0.00 -0.94 -4.96 105.19 106.09 2da3 n GLY 55 Ca 0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.28 2.12 -0.50 0.99 2.96 -0.98 -4.85 118.68 117.13 2da3 s LEU 56 Ca 0.04 -0.53 -0.47 0.00 -0.22 0.00 0.00 54.13 52.95 2da3 s LEU 56 Cb -0.02 -1.26 -0.20 0.00 0.50 0.00 0.00 46.19 45.21 2da3 s LEU 56 CO 0.04 0.27 1.64 0.29 -1.32 0.00 0.00 176.35 177.28 2da3 n LYS 57 N 2.07 0.00 -0.37 1.98 4.76 -1.26 -4.67 118.16 120.67 2da3 n LYS 57 Ca -0.16 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.26 2da3 n LYS 57 Cb 0.52 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 32.23 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 5.30 -0.02 -0.28 1.97 3.11 -1.91 0.18 116.57 124.93 2da3 h LYS 58 Ca -0.42 0.00 0.07 0.00 -2.81 0.00 0.00 60.65 57.49 2da3 h LYS 58 Cb 1.37 0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 32.53 2da3 h LYS 58 CO 0.99 -0.01 -0.30 -0.09 -2.81 0.00 0.00 179.45 177.23 2da3 h ARG 59 N -0.02 -0.28 -0.73 1.90 9.65 -1.94 0.69 114.38 123.66 2da3 h ARG 59 Ca 0.33 0.02 0.11 0.00 -1.10 0.00 0.00 59.98 59.34 2da3 h ARG 59 Cb 0.58 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.18 2da3 h ARG 59 CO -0.96 -0.19 0.48 0.28 2.80 0.00 0.00 179.97 182.38 2da3 h VAL 60 N -0.29 0.88 0.00 0.20 2.07 -1.07 0.15 116.25 118.18 2da3 h VAL 60 Ca 0.14 -0.18 -0.20 0.00 0.82 0.00 0.00 66.70 67.28 2da3 h VAL 60 Cb 0.52 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 2da3 h VAL 60 CO -0.44 0.10 -0.93 0.58 0.02 0.00 0.00 177.57 176.90 2da3 h VAL 61 N 0.54 1.67 -0.09 2.57 2.07 0.88 -1.83 116.25 122.05 2da3 h VAL 61 Ca 0.34 -3.19 -0.20 0.00 0.82 0.00 0.00 66.70 64.47 2da3 h VAL 61 Cb 0.61 2.72 0.01 0.00 -1.52 0.00 0.00 31.29 33.11 2da3 h VAL 61 CO -0.12 0.91 -0.73 -0.61 0.02 0.00 0.00 177.57 177.05 2da3 h GLN 62 N 0.00 0.66 -0.07 1.57 4.15 0.21 -3.30 115.11 118.34 2da3 h GLN 62 Ca -0.01 -0.58 -0.25 0.00 0.77 0.00 0.00 58.65 58.58 2da3 h GLN 62 Cb 1.65 0.14 0.02 0.00 0.21 0.00 0.00 27.48 29.49 2da3 h GLN 62 CO 0.12 1.20 -0.92 0.28 -1.93 0.00 0.00 178.83 177.57 2da3 h VAL 63 N 0.32 1.28 -0.24 2.39 2.07 -0.88 -3.13 116.25 118.07 2da3 h VAL 63 Ca -0.06 -2.12 0.07 0.00 0.82 0.00 0.00 66.70 65.40 2da3 h VAL 63 Cb 1.38 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 33.34 2da3 h VAL 63 CO 0.15 0.66 0.55 -0.25 0.02 0.00 0.00 177.57 178.70 2da3 h TRP 64 N 0.46 0.00 0.00 1.57 7.01 -1.41 0.07 115.95 123.65 2da3 h TRP 64 Ca -0.10 0.00 -0.13 0.00 2.11 0.00 0.00 58.89 60.77 2da3 h TRP 64 Cb 1.57 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.61 2da3 h TRP 64 CO 0.10 0.00 -0.71 0.74 -2.79 0.00 0.00 178.44 175.77 2da3 h PHE 65 N 0.00 0.00 -0.05 2.65 -1.00 -1.62 -3.02 116.94 113.91 2da3 h PHE 65 Ca 0.11 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.90 2da3 h PHE 65 Cb 1.20 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.76 2da3 h PHE 65 CO 0.00 1.25 0.04 -0.56 -1.61 0.00 0.00 178.31 177.43 2da3 h GLN 66 N -1.00 0.00 0.01 1.51 3.07 -1.07 -2.04 115.11 115.59 2da3 h GLN 66 Ca -0.20 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.53 2da3 h GLN 66 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.71 2da3 h GLN 66 CO -0.12 0.00 -0.07 -0.91 0.09 0.00 0.00 178.83 177.82 2da3 h ASN 67 N 0.00 0.04 -0.27 0.06 2.35 -1.21 -3.23 115.58 113.33 2da3 h ASN 67 Ca 0.02 -0.92 0.06 0.00 -0.55 0.00 0.00 56.30 54.91 2da3 h ASN 67 Cb 0.11 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.41 2da3 h ASN 67 CO -0.00 0.96 -0.10 0.74 -1.65 0.00 0.00 177.43 177.38 2da3 h THR 68 N -0.87 0.66 -0.41 2.81 2.02 -1.32 -2.06 112.91 113.75 2da3 h THR 68 Ca -0.01 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.26 2da3 h THR 68 Cb 0.98 0.66 -0.09 0.00 -1.74 0.00 0.00 68.15 67.96 2da3 h THR 68 CO 0.01 0.00 -0.21 0.03 0.37 0.00 0.00 175.52 175.72 2da3 h ARG 69 N -0.05 -0.13 -0.81 6.66 3.08 -1.52 0.23 114.38 121.84 2da3 h ARG 69 Ca 0.14 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.30 2da3 h ARG 69 Cb 0.25 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.26 2da3 h ARG 69 CO -0.30 -0.09 0.45 0.00 -1.07 0.00 0.00 179.97 178.96 2da3 h ALA 70 N 1.12 1.16 -0.22 0.04 0.00 -1.45 -0.52 119.26 119.39 2da3 h ALA 70 Ca 0.20 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2da3 h ALA 70 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2da3 h ALA 70 CO -0.49 0.05 -0.01 0.00 0.00 0.00 0.00 179.25 178.80 2da3 h ARG 71 N 0.74 0.40 -0.65 0.00 3.08 -0.42 0.86 114.38 118.40 2da3 h ARG 71 Ca 0.40 -0.13 0.05 0.00 0.07 0.00 0.00 59.98 60.37 2da3 h ARG 71 Cb 0.40 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 2da3 h ARG 71 CO -0.27 0.60 0.37 0.93 -1.07 0.00 0.00 179.97 180.53 2da3 h GLU 72 N 0.16 0.67 -0.23 0.04 4.39 0.04 -2.56 114.58 117.09 2da3 h GLU 72 Ca 0.06 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.57 2da3 h GLU 72 Cb 0.43 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2da3 h GLU 72 CO 0.01 0.44 -0.45 0.07 -1.16 0.00 0.00 179.01 177.92 2da3 h ARG 73 N 0.69 0.71 -6.34 2.33 0.11 -1.04 -3.45 114.38 107.38 2da3 h ARG 73 Ca 0.28 -0.46 -0.60 0.00 0.10 0.00 0.00 59.98 59.31 2da3 h ARG 73 Cb 0.15 0.06 0.16 0.00 1.11 0.00 0.00 29.97 31.45 2da3 h ARG 73 CO -0.17 1.08 -0.51 1.63 0.10 0.00 0.00 179.97 182.11 2da3 n LYS 74 N -4.16 0.46 -3.98 0.08 5.02 0.29 -4.96 118.16 110.91 2da3 n LYS 74 Ca -0.05 0.17 -0.34 0.00 -2.02 0.00 0.00 58.31 56.07 2da3 n LYS 74 Cb 0.57 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.93 2da3 n LYS 74 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2da3 s SER 75 N -1.04 4.43 0.00 4.39 1.04 -1.26 -4.96 113.70 116.30 2da3 s SER 75 Ca 0.64 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.97 2da3 s SER 75 Cb -0.53 -1.64 0.00 0.00 0.10 0.00 0.00 66.02 63.96 2da3 s SER 75 CO 0.58 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.24 2da3 n GLY 76 N 4.59 1.49 0.00 7.32 0.00 -1.26 -4.93 105.19 112.40 2da3 n GLY 76 Ca -0.15 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.49 -1.07 1.61 -0.04 -1.26 -4.83 135.00 129.90 2da3 n PRO 77 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 2da3 n PRO 77 Cb 0.00 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.09 2da3 n PRO 77 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2da3 s SER 78 N -2.00 3.50 -0.09 3.54 1.04 -1.26 -5.03 113.70 113.41 2da3 s SER 78 Ca 0.23 2.36 0.02 0.00 0.48 0.00 0.00 55.95 59.05 2da3 s SER 78 Cb 0.11 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.65 2da3 s SER 78 CO 0.18 -2.73 -0.14 -0.55 0.98 0.00 0.00 173.24 170.99 2da3 s SER 79 N -2.18 2.12 0.00 7.02 0.15 -1.26 -5.16 113.70 114.39 2da3 s SER 79 Ca 0.73 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.02 2da3 s SER 79 Cb -0.28 -0.95 0.00 0.00 -1.71 0.00 0.00 66.02 63.07 2da3 s SER 79 CO 0.51 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.58