#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2da3 s SER 2 N 0.00 3.91 -0.01 1.61 0.01 -1.26 -5.16 113.70 112.80 2da3 s SER 2 Ca 0.00 -1.59 0.04 0.00 1.31 0.00 0.00 55.95 55.71 2da3 s SER 2 Cb 0.00 0.31 -0.01 0.00 0.21 0.00 0.00 66.02 66.53 2da3 s SER 2 CO 0.00 -0.77 -0.12 -0.55 0.41 0.00 0.00 173.24 172.21 2da3 s SER 3 N -3.81 1.44 0.00 2.44 0.15 -1.26 -5.15 113.70 107.52 2da3 s SER 3 Ca 0.14 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.57 2da3 s SER 3 Cb 0.04 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 2da3 s SER 3 CO 0.08 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.27 2da3 n GLY 4 N 2.85 6.18 3.85 9.45 0.00 -1.26 -5.15 105.19 121.12 2da3 n GLY 4 Ca -0.15 -1.65 -0.32 0.00 0.00 0.00 0.00 46.02 43.90 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 1.00 6.69 -0.92 1.61 0.15 -1.26 -5.02 113.70 115.95 2da3 s SER 5 Ca 0.00 1.42 -0.13 0.00 0.70 0.00 0.00 55.95 57.94 2da3 s SER 5 Cb 0.00 -2.44 0.22 0.00 -1.71 0.00 0.00 66.02 62.09 2da3 s SER 5 CO 0.00 -0.41 0.91 -0.94 1.20 0.00 0.00 173.24 174.00 2da3 s SER 6 N -2.75 6.89 0.00 5.45 1.04 -1.26 -4.47 113.70 118.60 2da3 s SER 6 Ca 0.57 -2.83 0.00 0.00 0.48 0.00 0.00 55.95 54.16 2da3 s SER 6 Cb -0.10 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2da3 s SER 6 CO 0.25 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.51 2da3 n GLY 7 N 3.86 3.46 3.08 7.32 0.00 -1.26 -5.05 105.19 116.60 2da3 n GLY 7 Ca 0.18 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 2da3 n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2da3 s GLY 8 N 0.00 1.71 0.18 -0.02 0.00 -1.26 -5.10 107.32 102.83 2da3 s GLY 8 Ca 0.00 -1.89 -0.30 0.00 0.00 0.00 0.00 44.72 42.53 2da3 s GLY 8 CO 0.00 0.67 1.34 -1.59 0.00 0.00 0.00 173.10 173.52 2da3 s THR 9 N 1.09 3.20 0.28 0.90 2.01 -1.26 -4.52 115.64 117.33 2da3 s THR 9 Ca -0.06 0.94 0.00 0.00 0.31 0.00 0.00 61.69 62.89 2da3 s THR 9 Cb -0.20 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.71 2da3 s THR 9 CO -0.05 0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 2da3 n GLY 10 N 2.68 -1.99 0.00 4.40 0.00 -1.26 -4.89 105.19 104.13 2da3 n GLY 10 Ca 0.08 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.49 -3.22 2.26 -0.02 0.00 -1.26 -4.95 105.19 94.51 2da3 n GLY 11 Ca -0.01 -1.08 -0.19 0.00 0.00 0.00 0.00 46.02 44.75 2da3 n GLY 11 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2da3 n GLU 12 N 0.00 3.13 -2.00 1.61 -0.00 -1.26 -5.08 120.64 117.04 2da3 n GLU 12 Ca 0.00 -4.05 -0.35 0.00 -0.00 0.00 0.00 57.16 52.76 2da3 n GLU 12 Cb 0.00 -2.11 0.03 0.00 -0.00 0.00 0.00 31.44 29.37 2da3 n GLU 12 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2da3 s GLU 13 N -3.62 2.98 0.22 3.44 8.01 -1.26 -4.97 118.70 123.50 2da3 s GLU 13 Ca 0.45 1.73 -0.30 0.00 0.01 0.00 0.00 54.97 56.86 2da3 s GLU 13 Cb 0.39 -1.94 -0.09 0.00 -4.31 0.00 0.00 34.13 28.18 2da3 s GLU 13 CO -0.00 -1.18 1.29 -1.25 0.01 0.00 0.00 175.26 174.13 2da3 s PRO 14 N -3.44 4.40 0.28 0.39 0.04 -1.26 -4.92 135.00 130.49 2da3 s PRO 14 Ca 0.75 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.85 2da3 s PRO 14 Cb -0.28 -3.18 0.65 0.00 0.04 0.00 0.00 34.50 31.73 2da3 s PRO 14 CO 0.33 -0.21 1.68 0.37 0.04 0.00 0.00 177.00 179.21 2da3 h GLN 15 N 5.04 0.29 -5.28 4.56 4.15 -2.01 -3.24 115.11 118.63 2da3 h GLN 15 Ca -0.45 -0.02 -0.67 0.00 0.77 0.00 0.00 58.65 58.28 2da3 h GLN 15 Cb 1.22 -0.07 -0.16 0.00 0.21 0.00 0.00 27.48 28.68 2da3 h GLN 15 CO 0.75 0.19 1.00 0.50 -1.93 0.00 0.00 178.83 179.34 2da3 s ARG 16 N -5.94 3.60 0.35 1.69 6.06 -1.26 -5.01 118.95 118.43 2da3 s ARG 16 Ca -0.12 -1.62 -0.25 0.00 -2.50 0.00 0.00 55.73 51.24 2da3 s ARG 16 Cb 0.24 -5.03 -0.10 0.00 0.06 0.00 0.00 34.95 30.13 2da3 s ARG 16 CO 0.77 -1.88 0.97 -0.51 -2.50 0.00 0.00 175.30 172.15 2da3 s ASP 17 N 3.95 7.18 -0.23 -2.12 1.11 -1.22 -4.99 116.67 120.35 2da3 s ASP 17 Ca 0.36 1.88 -0.04 0.00 0.18 0.00 0.00 52.55 54.93 2da3 s ASP 17 Cb -0.04 -2.58 -0.13 0.00 1.07 0.00 0.00 42.92 41.25 2da3 s ASP 17 CO -0.10 -0.18 -0.25 0.29 1.18 0.00 0.00 175.17 176.11 2da3 n LYS 18 N 0.34 0.54 -3.90 8.23 5.02 -1.26 -4.98 118.16 122.16 2da3 n LYS 18 Ca 0.03 0.17 -0.34 0.00 -2.02 0.00 0.00 58.31 56.15 2da3 n LYS 18 Cb 0.50 -1.42 -0.05 0.00 -0.02 0.00 0.00 35.03 34.05 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 -2.45 3.45 0.02 1.97 3.52 -1.26 -5.11 118.95 119.09 2da3 s ARG 19 Ca -0.32 -0.29 0.06 0.00 -0.13 0.00 0.00 55.73 55.05 2da3 s ARG 19 Cb 0.10 -3.11 -0.02 0.00 -1.56 0.00 0.00 34.95 30.36 2da3 s ARG 19 CO 0.48 0.69 -0.17 -0.51 -0.81 0.00 0.00 175.30 174.98 2da3 s LEU 20 N -1.81 2.12 -0.07 -0.88 1.02 -1.26 -5.07 118.68 112.73 2da3 s LEU 20 Ca 0.26 -0.41 0.01 0.00 0.02 0.00 0.00 54.13 54.00 2da3 s LEU 20 Cb -0.13 -0.79 -0.03 0.00 0.02 0.00 0.00 46.19 45.26 2da3 s LEU 20 CO 0.17 0.13 -0.07 -0.13 0.02 0.00 0.00 176.35 176.46 2da3 s ARG 21 N -0.87 2.74 0.02 1.70 0.52 -1.26 -5.00 118.95 116.81 2da3 s ARG 21 Ca 0.05 -0.56 -0.23 0.00 -0.52 0.00 0.00 55.73 54.47 2da3 s ARG 21 Cb -0.07 -2.58 -0.13 0.00 0.52 0.00 0.00 34.95 32.69 2da3 s ARG 21 CO 0.01 0.65 1.19 1.15 0.02 0.00 0.00 175.30 178.32 2da3 h THR 22 N 4.27 0.00 -1.75 0.02 2.02 -2.01 -3.38 112.91 112.09 2da3 h THR 22 Ca -0.48 -0.12 -0.29 0.00 0.77 0.00 0.00 66.41 66.29 2da3 h THR 22 Cb 1.17 0.00 0.16 0.00 -1.74 0.00 0.00 68.15 67.74 2da3 h THR 22 CO 0.52 0.00 -0.82 0.35 0.37 0.00 0.00 175.52 175.94 2da3 n THR 23 N -4.59 0.00 -4.42 3.16 -2.24 -1.26 -4.85 114.28 100.07 2da3 n THR 23 Ca -0.10 -0.08 -0.27 0.00 -2.27 0.00 0.00 64.05 61.32 2da3 n THR 23 Cb 0.33 -0.37 -0.12 0.00 -2.10 0.00 0.00 70.33 68.07 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 -2.09 2.35 0.18 2.28 1.01 -1.26 -4.95 121.20 118.71 2da3 s ILE 24 Ca 0.36 -2.03 0.06 0.00 0.00 0.00 0.00 60.65 59.03 2da3 s ILE 24 Cb -0.04 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 2da3 s ILE 24 CO 0.41 -0.11 0.11 0.42 0.00 0.00 0.00 174.94 175.77 2da3 s THR 25 N -1.66 4.31 -0.44 2.92 -4.23 -1.26 -5.01 115.64 110.27 2da3 s THR 25 Ca 0.21 -1.19 0.24 0.00 -1.18 0.00 0.00 61.69 59.76 2da3 s THR 25 Cb -0.08 -3.21 0.25 0.00 1.34 0.00 0.00 72.50 70.81 2da3 s THR 25 CO 0.10 -0.13 1.72 -0.81 -0.54 0.00 0.00 174.62 174.96 2da3 n PRO 26 N -0.38 0.21 0.03 3.99 -0.04 -1.26 -1.81 135.00 135.73 2da3 n PRO 26 Ca -0.08 0.44 0.06 0.00 -0.04 0.00 0.00 63.50 63.88 2da3 n PRO 26 Cb 0.55 -1.90 -0.10 0.00 -0.04 0.00 0.00 33.50 32.02 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 -2.28 0.64 -0.00 0.54 -0.58 -1.26 -4.31 120.64 113.38 2da3 n GLU 27 Ca 0.02 0.02 -0.21 0.00 -0.42 0.00 0.00 57.16 56.57 2da3 n GLU 27 Cb 0.23 -1.68 -0.14 0.00 -0.57 0.00 0.00 31.44 29.28 2da3 n GLU 27 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2da3 h GLN 28 N 0.00 0.22 -0.73 3.49 4.20 -1.84 -3.38 115.11 117.07 2da3 h GLN 28 Ca -0.10 -0.38 0.12 0.00 0.06 0.00 0.00 58.65 58.35 2da3 h GLN 28 Cb 1.27 0.14 -0.13 0.00 0.30 0.00 0.00 27.48 29.06 2da3 h GLN 28 CO 0.01 1.18 -0.37 -0.07 -0.67 0.00 0.00 178.83 178.91 2da3 h LEU 29 N -0.35 -1.33 -0.70 1.46 3.38 -1.55 -1.30 115.31 114.92 2da3 h LEU 29 Ca -0.30 0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.99 2da3 h LEU 29 Cb 1.72 0.66 -0.08 0.00 0.09 0.00 0.00 40.66 43.05 2da3 h LEU 29 CO 0.04 -0.30 -0.41 -0.62 0.09 0.00 0.00 178.44 177.24 2da3 n GLU 30 N -5.44 -0.31 -0.32 1.13 -0.58 -1.26 0.20 120.64 114.07 2da3 n GLU 30 Ca 0.06 1.05 0.06 0.00 -0.42 0.00 0.00 57.16 57.91 2da3 n GLU 30 Cb 0.37 -1.55 0.21 0.00 -0.57 0.00 0.00 31.44 29.90 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 0.85 -0.28 -3.67 2.04 -1.46 0.15 117.51 115.14 2da3 h ILE 31 Ca 0.11 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 2da3 h ILE 31 Cb 0.29 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 2da3 h ILE 31 CO -0.65 0.15 0.09 -0.07 0.00 0.00 0.00 178.15 177.66 2da3 h LEU 32 N 0.80 0.40 -0.28 1.44 3.38 0.25 -1.97 115.31 119.33 2da3 h LEU 32 Ca 0.46 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 2da3 h LEU 32 Cb 0.52 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2da3 h LEU 32 CO -0.29 0.50 0.11 1.88 0.09 0.00 0.00 178.44 180.72 2da3 h TYR 33 N 0.29 0.43 -0.71 1.13 0.05 0.51 -0.61 116.97 118.06 2da3 h TYR 33 Ca 0.09 -0.03 0.07 0.00 0.05 0.00 0.00 58.73 58.90 2da3 h TYR 33 Cb 0.24 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 37.81 2da3 h TYR 33 CO 0.00 0.44 0.47 1.96 -1.05 0.00 0.00 178.16 179.98 2da3 h GLN 34 N 0.30 0.69 0.01 4.88 1.08 -0.67 0.21 115.11 121.60 2da3 h GLN 34 Ca 0.09 -0.04 -0.20 0.00 -1.45 0.00 0.00 58.65 57.05 2da3 h GLN 34 Cb 0.19 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2da3 h GLN 34 CO -0.01 0.46 -0.89 0.87 -0.95 0.00 0.00 178.83 178.31 2da3 h LYS 35 N 0.71 0.19 0.09 1.46 1.79 -1.02 -3.18 116.57 116.62 2da3 h LYS 35 Ca 0.31 -0.21 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2da3 h LYS 35 Cb 0.30 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 2da3 h LYS 35 CO -0.10 0.96 -0.05 -0.92 -1.08 0.00 0.00 179.45 178.26 2da3 h TYR 36 N 0.10 -0.12 -1.03 -1.35 5.03 0.13 0.18 116.97 119.91 2da3 h TYR 36 Ca -0.05 -0.00 0.26 0.00 2.58 0.00 0.00 58.73 61.52 2da3 h TYR 36 Cb 1.53 0.04 -0.11 0.00 1.55 0.00 0.00 36.73 39.74 2da3 h TYR 36 CO 0.03 0.40 0.63 -0.07 -1.32 0.00 0.00 178.16 177.83 2da3 h LEU 37 N -0.77 0.57 0.03 2.82 3.38 -0.76 0.14 115.31 120.72 2da3 h LEU 37 Ca -0.01 0.11 -0.27 0.00 0.09 0.00 0.00 57.88 57.80 2da3 h LEU 37 Cb 0.57 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2da3 h LEU 37 CO 0.02 0.09 -1.48 0.17 0.09 0.00 0.00 178.44 177.34 2da3 h LEU 38 N 0.49 0.08 -6.43 1.67 8.10 -1.57 -3.44 115.31 114.21 2da3 h LEU 38 Ca 0.63 -0.13 -0.19 0.00 0.11 0.00 0.00 57.88 58.30 2da3 h LEU 38 Cb 1.37 -0.03 -0.30 0.00 -0.44 0.00 0.00 40.66 41.27 2da3 h LEU 38 CO -0.39 1.11 -0.52 -0.62 -4.11 0.00 0.00 178.44 173.91 2da3 s ASP 39 N -6.47 0.47 0.00 0.17 2.15 0.62 -4.99 116.67 108.62 2da3 s ASP 39 Ca -0.04 -0.07 0.17 0.00 0.43 0.00 0.00 52.55 53.03 2da3 s ASP 39 Cb 0.08 1.03 0.26 0.00 -0.30 0.00 0.00 42.92 43.98 2da3 s ASP 39 CO 0.83 -0.33 1.17 -1.54 -0.17 0.00 0.00 175.17 175.13 2da3 n SER 40 N 5.35 2.80 -2.39 -0.34 3.41 -0.80 -3.67 113.62 117.99 2da3 n SER 40 Ca -0.02 -1.82 -0.22 0.00 -0.26 0.00 0.00 58.87 56.55 2da3 n SER 40 Cb 0.49 -0.13 0.01 0.00 -0.26 0.00 0.00 64.21 64.33 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 1.02 4.13 -2.82 4.04 5.03 -1.26 -4.97 115.26 120.42 2da3 n ASN 41 Ca 0.13 -3.47 -0.09 0.00 0.87 0.00 0.00 54.58 52.02 2da3 n ASN 41 Cb 0.47 -0.43 0.08 0.00 -1.02 0.00 0.00 39.78 38.87 2da3 n ASN 41 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 2da3 n PRO 42 N -0.51 -1.66 -4.14 3.52 -0.04 -1.26 -5.10 135.00 125.80 2da3 n PRO 42 Ca 0.34 -0.52 -0.09 0.00 -0.04 0.00 0.00 63.50 63.19 2da3 n PRO 42 Cb 0.79 -0.49 -0.10 0.00 -0.04 0.00 0.00 33.50 33.66 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 -1.59 0.28 0.24 0.52 -1.32 -1.26 -4.98 115.64 107.52 2da3 s THR 43 Ca 0.21 -1.89 0.06 0.00 -1.21 0.00 0.00 61.69 58.86 2da3 s THR 43 Cb -0.02 -1.85 0.28 0.00 -1.51 0.00 0.00 72.50 69.40 2da3 s THR 43 CO 0.16 -0.68 1.12 0.54 -2.21 0.00 0.00 174.62 173.55 2da3 n ARG 44 N -0.04 -0.05 -0.07 7.08 3.00 -1.26 0.18 116.66 125.50 2da3 n ARG 44 Ca -0.09 1.04 -0.07 0.00 -0.01 0.00 0.00 57.85 58.72 2da3 n ARG 44 Cb 0.62 -1.72 -0.01 0.00 0.00 0.00 0.00 32.46 31.36 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 0.02 0.00 5.56 1.63 -1.99 0.42 116.57 122.21 2da3 h LYS 45 Ca 0.49 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.29 2da3 h LYS 45 Cb 1.12 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 2da3 h LYS 45 CO -0.63 0.01 -0.00 0.52 -3.45 0.00 0.00 179.45 175.90 2da3 h MET 46 N 0.02 -0.00 -1.01 1.90 2.86 0.16 -2.75 114.93 116.11 2da3 h MET 46 Ca 0.13 0.00 0.23 0.00 -2.06 0.00 0.00 59.70 58.00 2da3 h MET 46 Cb 0.20 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.75 2da3 h MET 46 CO -0.27 0.51 0.61 -0.07 1.06 0.00 0.00 176.91 178.76 2da3 h LEU 47 N -0.52 0.67 -0.05 1.22 3.38 -0.71 0.25 115.31 119.55 2da3 h LEU 47 Ca -0.00 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2da3 h LEU 47 Cb 0.52 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2da3 h LEU 47 CO 0.00 0.17 -0.01 -0.78 0.09 0.00 0.00 178.44 177.91 2da3 h ASP 48 N 0.61 0.10 0.74 -0.43 3.58 -0.89 -1.93 116.42 118.20 2da3 h ASP 48 Ca 0.61 -0.36 -0.04 0.00 0.42 0.00 0.00 57.03 57.66 2da3 h ASP 48 Cb 1.15 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 42.18 2da3 h ASP 48 CO -0.40 0.43 -0.36 -0.74 -2.88 0.00 0.00 179.24 175.30 2da3 h HIS 49 N -0.24 -0.92 -0.60 0.28 2.76 -0.81 -1.29 115.15 114.32 2da3 h HIS 49 Ca 0.01 -0.02 0.13 0.00 -2.20 0.00 0.00 60.37 58.29 2da3 h HIS 49 Cb 0.39 0.30 -0.11 0.00 1.55 0.00 0.00 27.41 29.55 2da3 h HIS 49 CO 0.05 -0.56 -0.06 0.82 -1.30 0.00 0.00 177.93 176.89 2da3 h ILE 50 N -1.08 0.46 0.00 6.26 2.04 -0.67 0.61 117.51 125.13 2da3 h ILE 50 Ca -0.10 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 2da3 h ILE 50 Cb 0.78 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2da3 h ILE 50 CO 0.17 0.01 -0.05 0.00 0.00 0.00 0.00 178.15 178.28 2da3 h ALA 51 N 1.57 1.15 0.16 1.87 0.00 -1.27 0.06 119.26 122.80 2da3 h ALA 51 Ca 0.31 -0.05 -0.30 0.00 0.00 0.00 0.00 54.91 54.88 2da3 h ALA 51 Cb 0.49 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2da3 h ALA 51 CO -0.56 0.06 -1.35 1.25 0.00 0.00 0.00 179.25 178.66 2da3 h HIS 52 N 0.00 0.61 0.11 0.00 -0.00 0.14 -2.11 115.15 113.90 2da3 h HIS 52 Ca -0.00 -0.45 -0.28 0.00 -0.00 0.00 0.00 60.37 59.65 2da3 h HIS 52 Cb 0.26 -0.02 0.01 0.00 -0.00 0.00 0.00 27.41 27.66 2da3 h HIS 52 CO 0.00 1.37 -1.20 1.05 -0.00 0.00 0.00 177.93 179.15 2da3 h GLU 53 N 0.09 0.41 0.00 5.26 4.11 -0.41 -3.26 114.58 120.79 2da3 h GLU 53 Ca -0.18 -0.60 -0.10 0.00 0.07 0.00 0.00 59.36 58.55 2da3 h GLU 53 Cb 2.03 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 31.47 2da3 h GLU 53 CO 0.22 1.26 -0.49 0.28 0.07 0.00 0.00 179.01 180.35 2da3 h VAL 54 N 0.16 0.96 -1.12 -1.06 2.07 -1.12 -3.48 116.25 112.66 2da3 h VAL 54 Ca -0.15 -1.98 -0.04 0.00 0.82 0.00 0.00 66.70 65.35 2da3 h VAL 54 Cb 1.89 2.21 0.01 0.00 -1.52 0.00 0.00 31.29 33.88 2da3 h VAL 54 CO 0.21 0.48 -0.07 0.61 0.02 0.00 0.00 177.57 178.82 2da3 n GLY 55 N 0.72 0.64 3.33 2.17 0.00 -0.85 -4.96 105.19 106.24 2da3 n GLY 55 Ca 0.01 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.33 2.38 -0.27 0.99 2.96 -0.88 -4.82 118.68 117.70 2da3 s LEU 56 Ca 0.04 -0.79 -0.39 0.00 -0.22 0.00 0.00 54.13 52.77 2da3 s LEU 56 Cb -0.02 -0.91 -0.15 0.00 0.50 0.00 0.00 46.19 45.62 2da3 s LEU 56 CO 0.05 0.03 1.82 0.29 -1.32 0.00 0.00 176.35 177.22 2da3 n LYS 57 N 0.62 1.24 -0.32 1.98 4.76 -1.26 -4.65 118.16 120.53 2da3 n LYS 57 Ca -0.16 0.45 0.09 0.00 -2.87 0.00 0.00 58.31 55.82 2da3 n LYS 57 Cb 0.55 -2.19 0.21 0.00 -1.84 0.00 0.00 35.03 31.76 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 8.00 0.03 0.24 1.97 3.11 -1.91 0.78 116.57 128.80 2da3 h LYS 58 Ca -0.44 -0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.41 2da3 h LYS 58 Cb 1.32 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 32.50 2da3 h LYS 58 CO 0.97 0.02 -0.40 -0.09 -2.81 0.00 0.00 179.45 177.14 2da3 h ARG 59 N 0.03 -0.69 -0.95 1.90 9.65 -1.95 0.58 114.38 122.94 2da3 h ARG 59 Ca 0.51 0.05 0.16 0.00 -1.10 0.00 0.00 59.98 59.59 2da3 h ARG 59 Cb 0.95 0.16 -0.08 0.00 -1.39 0.00 0.00 29.97 29.60 2da3 h ARG 59 CO -0.88 -0.46 0.60 0.28 2.80 0.00 0.00 179.97 182.32 2da3 h VAL 60 N -0.72 0.81 -0.06 0.20 2.07 -1.26 0.14 116.25 117.42 2da3 h VAL 60 Ca -0.00 -0.26 -0.18 0.00 0.82 0.00 0.00 66.70 67.08 2da3 h VAL 60 Cb 0.69 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2da3 h VAL 60 CO -0.16 0.14 -0.73 0.58 0.02 0.00 0.00 177.57 177.42 2da3 h VAL 61 N 0.77 1.40 0.03 2.57 2.07 -0.30 -0.98 116.25 121.79 2da3 h VAL 61 Ca 0.50 -2.18 -0.00 0.00 0.82 0.00 0.00 66.70 65.84 2da3 h VAL 61 Cb 0.75 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2da3 h VAL 61 CO -0.26 0.65 -0.01 -0.61 0.02 0.00 0.00 177.57 177.35 2da3 h GLN 62 N 0.23 -0.03 -0.48 1.57 4.15 0.21 -3.23 115.11 117.52 2da3 h GLN 62 Ca -0.03 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.29 2da3 h GLN 62 Cb 1.30 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.98 2da3 h GLN 62 CO 0.12 0.43 -0.10 0.28 -1.93 0.00 0.00 178.83 177.63 2da3 h VAL 63 N -0.51 1.27 -1.15 2.39 2.07 -0.90 -2.81 116.25 116.61 2da3 h VAL 63 Ca -0.00 -1.23 0.33 0.00 0.82 0.00 0.00 66.70 66.62 2da3 h VAL 63 Cb 0.48 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 2da3 h VAL 63 CO 0.01 0.43 0.88 -0.25 0.02 0.00 0.00 177.57 178.65 2da3 h TRP 64 N 0.78 0.00 0.02 1.57 7.01 -1.22 0.36 115.95 124.45 2da3 h TRP 64 Ca 0.12 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.10 2da3 h TRP 64 Cb 0.65 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.71 2da3 h TRP 64 CO 0.05 0.00 -0.11 0.74 -2.79 0.00 0.00 178.44 176.33 2da3 h PHE 65 N 0.00 0.08 0.00 2.65 -1.00 -1.52 -2.65 116.94 114.51 2da3 h PHE 65 Ca 0.55 -0.05 -0.04 0.00 2.81 0.00 0.00 57.97 61.24 2da3 h PHE 65 Cb 2.30 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.85 2da3 h PHE 65 CO 0.00 1.00 -0.18 -0.56 -1.61 0.00 0.00 178.31 176.96 2da3 h GLN 66 N -0.87 0.00 -0.04 1.51 3.07 -0.83 -2.50 115.11 115.45 2da3 h GLN 66 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.63 2da3 h GLN 66 Cb 1.05 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.61 2da3 h GLN 66 CO 0.02 0.18 -0.35 -0.91 0.09 0.00 0.00 178.83 177.86 2da3 h ASN 67 N 0.00 0.38 -0.09 0.06 2.35 -0.51 -3.22 115.58 114.55 2da3 h ASN 67 Ca -0.00 -0.70 0.03 0.00 -0.55 0.00 0.00 56.30 55.08 2da3 h ASN 67 Cb 0.33 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 2da3 h ASN 67 CO 0.02 1.02 -0.09 0.74 -1.65 0.00 0.00 177.43 177.47 2da3 h THR 68 N -0.23 0.73 -0.40 2.81 2.02 -1.22 -2.83 112.91 113.79 2da3 h THR 68 Ca -0.03 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.22 2da3 h THR 68 Cb 1.04 0.73 -0.09 0.00 -1.74 0.00 0.00 68.15 68.09 2da3 h THR 68 CO 0.07 0.00 -0.43 0.03 0.37 0.00 0.00 175.52 175.57 2da3 h ARG 69 N -0.12 -0.32 -0.53 6.66 3.08 -1.55 0.23 114.38 121.83 2da3 h ARG 69 Ca 0.07 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.22 2da3 h ARG 69 Cb 0.22 0.07 -0.10 0.00 0.08 0.00 0.00 29.97 30.24 2da3 h ARG 69 CO -0.16 -0.21 -0.42 0.00 -1.07 0.00 0.00 179.97 178.11 2da3 h ALA 70 N 0.42 -0.31 -0.49 0.04 0.00 -1.51 -0.00 119.26 117.41 2da3 h ALA 70 Ca 0.14 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.22 2da3 h ALA 70 Cb 0.58 0.91 -0.06 0.00 0.00 0.00 0.00 17.79 19.23 2da3 h ALA 70 CO -0.57 -0.81 0.18 0.00 0.00 0.00 0.00 179.25 178.05 2da3 h ARG 71 N -0.24 0.35 -0.85 0.00 3.08 -1.10 -0.93 114.38 114.69 2da3 h ARG 71 Ca 0.18 -0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.34 2da3 h ARG 71 Cb 0.57 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.47 2da3 h ARG 71 CO -0.65 0.23 0.55 0.93 -1.07 0.00 0.00 179.97 179.96 2da3 h GLU 72 N 0.36 0.64 -0.26 0.04 4.39 0.78 -1.33 114.58 119.21 2da3 h GLU 72 Ca 0.23 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.78 2da3 h GLU 72 Cb 0.24 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2da3 h GLU 72 CO -0.24 0.43 -0.31 0.00 -1.16 0.00 0.00 179.01 177.73 2da3 h ARG 73 N 0.66 0.66 -0.51 2.33 3.08 0.20 -3.24 114.38 117.57 2da3 h ARG 73 Ca 0.42 -0.37 0.10 0.00 0.07 0.00 0.00 59.98 60.20 2da3 h ARG 73 Cb 0.67 0.02 -0.10 0.00 0.08 0.00 0.00 29.97 30.64 2da3 h ARG 73 CO -0.18 0.98 -0.21 0.87 -1.07 0.00 0.00 179.97 180.36 2da3 h LYS 74 N 0.38 -0.09 -4.96 0.04 1.57 -0.36 -3.37 116.57 109.79 2da3 h LYS 74 Ca 0.03 0.01 -0.64 0.00 -1.87 0.00 0.00 60.65 58.18 2da3 h LYS 74 Cb 0.88 0.02 -0.20 0.00 0.08 0.00 0.00 32.23 33.01 2da3 h LYS 74 CO 0.07 -0.06 -0.58 0.45 -0.57 0.00 0.00 179.45 178.76 2da3 s SER 75 N -5.17 5.51 0.30 0.86 0.15 -1.10 -4.91 113.70 109.34 2da3 s SER 75 Ca -0.14 -0.11 -0.01 0.00 0.70 0.00 0.00 55.95 56.38 2da3 s SER 75 Cb 0.16 -2.00 -0.01 0.00 -1.71 0.00 0.00 66.02 62.46 2da3 s SER 75 CO 0.71 -0.02 0.37 -0.83 1.20 0.00 0.00 173.24 174.67 2da3 s GLY 76 N 1.58 1.56 -0.82 9.45 0.00 -1.26 -4.79 107.32 113.03 2da3 s GLY 76 Ca 0.06 -1.60 -0.25 0.00 0.00 0.00 0.00 44.72 42.94 2da3 s GLY 76 CO 0.06 -1.13 1.92 2.56 0.00 0.00 0.00 173.10 176.52 2da3 s PRO 77 N -3.45 2.58 -0.72 2.90 0.04 -1.26 -2.99 135.00 132.09 2da3 s PRO 77 Ca 0.33 -0.04 -0.02 0.00 0.04 0.00 0.00 61.00 61.32 2da3 s PRO 77 Cb 0.01 -4.87 0.00 0.00 0.04 0.00 0.00 34.50 29.68 2da3 s PRO 77 CO 0.19 -3.20 0.24 0.45 0.04 0.00 0.00 177.00 174.72 2da3 n SER 78 N 13.63 -3.57 -0.12 6.66 2.88 -1.26 -4.94 113.62 126.90 2da3 n SER 78 Ca 0.35 -0.11 -0.11 0.00 -1.33 0.00 0.00 58.87 57.67 2da3 n SER 78 Cb 0.48 -2.53 -0.03 0.00 -0.75 0.00 0.00 64.21 61.39 2da3 n SER 78 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2da3 h SER 79 N -0.54 0.60 0.00 -3.46 4.64 -1.91 -3.55 113.55 109.32 2da3 h SER 79 Ca -0.24 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 2da3 h SER 79 Cb 1.17 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2da3 h SER 79 CO 0.26 0.77 0.00 0.61 -0.87 0.00 0.00 176.83 177.60