#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 2.83 -4.74 1.61 3.41 -1.26 -4.94 113.62 110.53 2da3 n SER 2 Ca 0.00 1.11 -0.40 0.00 -0.26 0.00 0.00 58.87 59.32 2da3 n SER 2 Cb 0.00 -1.41 -0.05 0.00 -0.26 0.00 0.00 64.21 62.49 2da3 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2da3 s SER 3 N 0.61 7.30 0.00 4.04 0.01 -1.26 -4.56 113.70 119.85 2da3 s SER 3 Ca 0.75 1.55 0.00 0.00 1.31 0.00 0.00 55.95 59.56 2da3 s SER 3 Cb -0.69 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.04 2da3 s SER 3 CO 0.43 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.69 2da3 n GLY 4 N 2.35 0.75 3.27 3.44 0.00 -1.26 -5.07 105.19 108.66 2da3 n GLY 4 Ca -0.01 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 2da3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2da3 s SER 5 N -1.40 6.71 0.10 1.61 0.01 -1.26 -4.91 113.70 114.55 2da3 s SER 5 Ca 0.00 -3.32 -0.13 0.00 1.31 0.00 0.00 55.95 53.81 2da3 s SER 5 Cb 0.00 -2.11 0.02 0.00 0.21 0.00 0.00 66.02 64.13 2da3 s SER 5 CO 0.00 -0.35 0.30 -0.44 0.41 0.00 0.00 173.24 173.17 2da3 s SER 6 N 1.18 -0.07 -0.54 2.44 0.01 -1.26 -5.12 113.70 110.33 2da3 s SER 6 Ca 0.25 -0.45 -0.28 0.00 1.31 0.00 0.00 55.95 56.78 2da3 s SER 6 Cb -0.10 0.41 0.03 0.00 0.21 0.00 0.00 66.02 66.57 2da3 s SER 6 CO -0.09 -0.79 1.13 -0.83 0.41 0.00 0.00 173.24 173.08 2da3 s GLY 7 N -2.79 1.23 0.00 3.44 0.00 -1.26 -4.35 107.32 103.60 2da3 s GLY 7 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 43.97 2da3 s GLY 7 CO -0.11 2.39 0.00 0.61 0.00 0.00 0.00 173.10 175.99 2da3 n GLY 8 N 5.01 -2.07 2.21 0.20 0.00 -1.26 -4.97 105.19 104.30 2da3 n GLY 8 Ca 0.08 0.69 -0.31 0.00 0.00 0.00 0.00 46.02 46.49 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 0.00 3.23 -2.70 2.61 -2.24 -1.26 -4.75 114.28 109.17 2da3 n THR 9 Ca 0.00 -3.39 -0.03 0.00 -2.27 0.00 0.00 64.05 58.36 2da3 n THR 9 Cb 0.00 -1.14 0.03 0.00 -2.10 0.00 0.00 70.33 67.11 2da3 n THR 9 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2da3 s GLY 10 N -2.47 -1.75 0.00 3.38 0.00 -1.26 -5.05 107.32 100.17 2da3 s GLY 10 Ca 0.60 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.71 2da3 s GLY 10 CO 0.01 4.16 0.00 0.61 0.00 0.00 0.00 173.10 177.88 2da3 n GLY 11 N 2.75 -0.10 3.25 0.20 0.00 -1.26 -4.74 105.19 105.29 2da3 n GLY 11 Ca 0.13 0.05 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 2da3 n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2da3 s GLU 12 N 0.00 1.05 0.20 1.61 0.41 -1.26 -5.06 118.70 115.65 2da3 s GLU 12 Ca 0.00 -1.42 0.09 0.00 -0.41 0.00 0.00 54.97 53.23 2da3 s GLU 12 Cb 0.00 -0.66 -0.04 0.00 -1.78 0.00 0.00 34.13 31.65 2da3 s GLU 12 CO 0.00 0.09 -0.08 -1.21 -0.49 0.00 0.00 175.26 173.56 2da3 s GLU 13 N -3.59 2.09 0.00 1.61 0.41 -1.26 -5.00 118.70 112.96 2da3 s GLU 13 Ca 0.16 -1.31 0.09 0.00 -0.41 0.00 0.00 54.97 53.49 2da3 s GLU 13 Cb 0.01 -2.15 0.53 0.00 -1.78 0.00 0.00 34.13 30.75 2da3 s GLU 13 CO 0.01 0.42 0.98 -0.35 -0.49 0.00 0.00 175.26 175.83 2da3 n PRO 14 N -0.14 0.49 -2.03 0.39 -0.04 -1.26 -4.68 135.00 127.72 2da3 n PRO 14 Ca -0.10 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.01 2da3 n PRO 14 Cb 0.56 -1.29 -0.03 0.00 -0.04 0.00 0.00 33.50 32.70 2da3 n PRO 14 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2da3 s GLN 15 N -2.00 2.60 -0.16 0.54 -0.44 -1.26 -4.80 119.66 114.14 2da3 s GLN 15 Ca 0.13 0.41 -0.13 0.00 -2.50 0.00 0.00 55.36 53.27 2da3 s GLN 15 Cb 0.06 -4.55 -0.09 0.00 -1.64 0.00 0.00 33.01 26.79 2da3 s GLN 15 CO 0.10 -2.90 0.03 -0.09 0.50 0.00 0.00 175.29 172.94 2da3 h ARG 16 N 14.15 0.00 -3.24 1.67 1.12 -2.06 -3.50 114.38 122.52 2da3 h ARG 16 Ca -0.17 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.67 2da3 h ARG 16 Cb 1.13 0.00 -0.11 0.00 -0.01 0.00 0.00 29.97 30.97 2da3 h ARG 16 CO 1.22 0.38 0.05 -0.51 -3.11 0.00 0.00 179.97 178.00 2da3 s ASP 17 N -6.09 -0.33 0.00 -3.80 1.01 -1.26 -5.08 116.67 101.11 2da3 s ASP 17 Ca -0.18 -0.30 0.00 0.00 0.71 0.00 0.00 52.55 52.78 2da3 s ASP 17 Cb 0.03 0.55 0.00 0.00 1.01 0.00 0.00 42.92 44.51 2da3 s ASP 17 CO 0.34 -0.97 0.00 1.17 0.21 0.00 0.00 175.17 175.91 2da3 n LYS 18 N -0.32 0.00 -3.34 8.23 3.00 -1.26 -5.07 118.16 119.40 2da3 n LYS 18 Ca -0.14 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.83 2da3 n LYS 18 Cb 0.63 -0.50 -0.06 0.00 0.00 0.00 0.00 35.03 35.11 2da3 n LYS 18 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2da3 s ARG 19 N -1.88 3.94 0.01 1.64 1.70 -1.26 -5.09 118.95 118.01 2da3 s ARG 19 Ca 0.00 0.46 0.02 0.00 -0.47 0.00 0.00 55.73 55.74 2da3 s ARG 19 Cb 0.00 -2.80 -0.01 0.00 -0.57 0.00 0.00 34.95 31.57 2da3 s ARG 19 CO 0.00 0.40 -0.07 -0.51 -1.08 0.00 0.00 175.30 174.04 2da3 s LEU 20 N -2.31 2.09 0.38 -1.89 1.02 -1.26 -5.09 118.68 111.62 2da3 s LEU 20 Ca 0.42 -0.26 -0.28 0.00 0.02 0.00 0.00 54.13 54.04 2da3 s LEU 20 Cb -0.14 -0.26 -0.11 0.00 0.02 0.00 0.00 46.19 45.70 2da3 s LEU 20 CO 0.20 -0.02 1.47 -0.13 0.02 0.00 0.00 176.35 177.89 2da3 s ARG 21 N -0.63 4.11 0.21 1.70 0.52 -1.26 -4.79 118.95 118.80 2da3 s ARG 21 Ca -0.02 2.54 0.00 0.00 -0.52 0.00 0.00 55.73 57.73 2da3 s ARG 21 Cb -0.05 -2.96 0.17 0.00 0.52 0.00 0.00 34.95 32.62 2da3 s ARG 21 CO 0.00 -0.52 1.52 1.79 0.02 0.00 0.00 175.30 178.11 2da3 h THR 22 N 2.95 1.35 -3.60 0.02 1.35 -2.00 -3.39 112.91 109.59 2da3 h THR 22 Ca -0.51 -1.92 -0.43 0.00 -0.55 0.00 0.00 66.41 63.01 2da3 h THR 22 Cb 1.24 1.92 0.18 0.00 -1.73 0.00 0.00 68.15 69.76 2da3 h THR 22 CO 0.64 0.58 0.14 0.42 -0.25 0.00 0.00 175.52 177.05 2da3 s THR 23 N -3.84 1.76 0.16 6.82 -4.23 -1.26 -4.94 115.64 110.11 2da3 s THR 23 Ca -0.06 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.56 2da3 s THR 23 Cb 0.11 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 2da3 s THR 23 CO 0.82 0.00 -0.24 -0.63 -0.54 0.00 0.00 174.62 174.03 2da3 s ILE 24 N -2.93 2.21 0.16 2.99 1.01 -1.26 -4.94 121.20 118.44 2da3 s ILE 24 Ca 0.69 -1.90 0.04 0.00 0.00 0.00 0.00 60.65 59.48 2da3 s ILE 24 Cb -0.14 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 2da3 s ILE 24 CO 0.57 -0.07 0.17 0.42 0.00 0.00 0.00 174.94 176.03 2da3 s THR 25 N -1.49 4.70 -0.60 2.92 -4.23 -1.26 -5.00 115.64 110.68 2da3 s THR 25 Ca 0.17 -0.97 0.21 0.00 -1.18 0.00 0.00 61.69 59.92 2da3 s THR 25 Cb -0.08 -3.40 0.22 0.00 1.34 0.00 0.00 72.50 70.57 2da3 s THR 25 CO 0.08 -0.10 1.65 -0.81 -0.54 0.00 0.00 174.62 174.90 2da3 n PRO 26 N -0.38 0.15 0.01 3.99 -0.04 -1.26 -2.00 135.00 135.47 2da3 n PRO 26 Ca -0.08 0.38 0.07 0.00 -0.04 0.00 0.00 63.50 63.84 2da3 n PRO 26 Cb 0.54 -1.78 -0.12 0.00 -0.04 0.00 0.00 33.50 32.10 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 -2.06 0.65 0.00 0.54 1.02 -1.26 -4.40 120.64 115.13 2da3 n GLU 27 Ca 0.02 -0.05 -0.21 0.00 -0.02 0.00 0.00 57.16 56.91 2da3 n GLU 27 Cb 0.21 -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 0.22 -0.88 3.49 4.20 -1.84 -3.38 115.11 116.92 2da3 h GLN 28 Ca -0.09 -0.37 0.13 0.00 0.06 0.00 0.00 58.65 58.37 2da3 h GLN 28 Cb 1.23 0.14 -0.14 0.00 0.30 0.00 0.00 27.48 29.01 2da3 h GLN 28 CO 0.01 1.18 -0.42 -0.07 -0.67 0.00 0.00 178.83 178.86 2da3 h LEU 29 N -0.40 -1.52 -0.69 1.46 3.38 -1.61 -0.61 115.31 115.31 2da3 h LEU 29 Ca -0.27 0.29 0.07 0.00 0.09 0.00 0.00 57.88 58.06 2da3 h LEU 29 Cb 1.67 0.75 -0.09 0.00 0.09 0.00 0.00 40.66 43.09 2da3 h LEU 29 CO 0.05 -0.29 -0.39 -0.62 0.09 0.00 0.00 178.44 177.28 2da3 n GLU 30 N -5.43 -0.28 -0.18 1.13 -0.58 -1.26 0.14 120.64 114.18 2da3 n GLU 30 Ca 0.07 1.05 -0.00 0.00 -0.42 0.00 0.00 57.16 57.86 2da3 n GLU 30 Cb 0.37 -1.55 0.09 0.00 -0.57 0.00 0.00 31.44 29.78 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 0.64 -0.18 -3.67 2.04 -1.33 0.20 117.51 115.21 2da3 h ILE 31 Ca 0.13 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.92 2da3 h ILE 31 Cb 0.30 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2da3 h ILE 31 CO -0.66 0.04 0.11 -0.07 0.00 0.00 0.00 178.15 177.58 2da3 h LEU 32 N 0.21 0.22 -0.33 1.44 3.38 0.13 0.96 115.31 121.33 2da3 h LEU 32 Ca 0.29 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2da3 h LEU 32 Cb 0.43 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2da3 h LEU 32 CO -0.40 0.18 0.22 1.88 0.09 0.00 0.00 178.44 180.41 2da3 h TYR 33 N 0.23 0.41 -0.74 1.13 0.05 0.36 0.43 116.97 118.83 2da3 h TYR 33 Ca 0.07 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.82 2da3 h TYR 33 Cb 0.00 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.57 2da3 h TYR 33 CO -0.06 0.26 0.31 1.96 -1.05 0.00 0.00 178.16 179.58 2da3 h GLN 34 N 0.44 1.10 -0.01 4.88 1.08 -0.44 0.28 115.11 122.44 2da3 h GLN 34 Ca 0.12 -0.19 -0.14 0.00 -1.45 0.00 0.00 58.65 57.00 2da3 h GLN 34 Cb -0.05 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.18 2da3 h GLN 34 CO -0.03 0.89 -0.63 0.87 -0.95 0.00 0.00 178.83 178.98 2da3 h LYS 35 N 1.06 0.04 -0.00 1.46 1.79 -0.45 -3.12 116.57 117.34 2da3 h LYS 35 Ca 0.25 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.68 2da3 h LYS 35 Cb 0.19 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 2da3 h LYS 35 CO -0.02 0.66 -0.02 -0.92 -1.08 0.00 0.00 179.45 178.06 2da3 h TYR 36 N 0.03 0.03 -1.00 -1.35 3.20 0.28 0.18 116.97 118.34 2da3 h TYR 36 Ca -0.01 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.06 2da3 h TYR 36 Cb 1.12 -0.00 -0.10 0.00 1.54 0.00 0.00 36.73 39.28 2da3 h TYR 36 CO 0.00 0.67 0.62 -0.07 -1.64 0.00 0.00 178.16 177.74 2da3 h LEU 37 N -0.62 0.66 0.11 2.82 3.38 -1.00 -0.75 115.31 119.91 2da3 h LEU 37 Ca -0.00 0.09 -0.31 0.00 0.09 0.00 0.00 57.88 57.75 2da3 h LEU 37 Cb 0.67 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2da3 h LEU 37 CO 0.00 0.21 -1.58 0.17 0.09 0.00 0.00 178.44 177.33 2da3 h LEU 38 N 0.63 0.36 -7.10 1.67 8.10 -1.56 -3.44 115.31 113.97 2da3 h LEU 38 Ca 0.58 -0.53 -0.53 0.00 0.11 0.00 0.00 57.88 57.50 2da3 h LEU 38 Cb 1.08 -0.12 -0.40 0.00 -0.44 0.00 0.00 40.66 40.79 2da3 h LEU 38 CO -0.35 1.45 -0.76 -0.62 -4.11 0.00 0.00 178.44 174.05 2da3 s ASP 39 N -6.92 3.34 0.00 0.17 -1.08 0.62 -4.96 116.67 107.85 2da3 s ASP 39 Ca -0.10 -1.16 0.19 0.00 -0.52 0.00 0.00 52.55 50.96 2da3 s ASP 39 Cb 0.07 -0.58 -0.08 0.00 -1.46 0.00 0.00 42.92 40.87 2da3 s ASP 39 CO 0.84 -0.38 0.89 -1.20 0.52 0.00 0.00 175.17 175.85 2da3 n SER 40 N 5.06 1.44 -2.55 -0.34 7.64 -0.95 -3.85 113.62 120.07 2da3 n SER 40 Ca -0.06 -1.22 -0.18 0.00 1.01 0.00 0.00 58.87 58.42 2da3 n SER 40 Cb 0.45 0.68 0.02 0.00 -1.01 0.00 0.00 64.21 64.34 2da3 n SER 40 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2da3 n ASN 41 N -0.61 3.14 -4.70 6.43 3.02 -1.26 -4.88 115.26 116.40 2da3 n ASN 41 Ca 0.06 -3.20 -0.29 0.00 -0.03 0.00 0.00 54.58 51.12 2da3 n ASN 41 Cb 0.36 -0.49 0.15 0.00 -0.61 0.00 0.00 39.78 39.19 2da3 n ASN 41 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2da3 s PRO 42 N -3.37 0.95 0.26 3.52 0.04 -1.26 -5.07 135.00 130.08 2da3 s PRO 42 Ca 0.38 0.71 0.07 0.00 0.04 0.00 0.00 61.00 62.20 2da3 s PRO 42 Cb 0.42 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 33.15 2da3 s PRO 42 CO -0.07 -2.42 0.25 -0.08 0.04 0.00 0.00 177.00 174.71 2da3 s THR 43 N -2.94 4.46 0.30 1.26 -1.32 -1.26 -4.91 115.64 111.23 2da3 s THR 43 Ca 0.64 -1.31 0.07 0.00 -1.21 0.00 0.00 61.69 59.88 2da3 s THR 43 Cb -0.18 -3.45 0.37 0.00 -1.51 0.00 0.00 72.50 67.72 2da3 s THR 43 CO 0.57 -0.32 1.45 0.54 -2.21 0.00 0.00 174.62 174.66 2da3 n ARG 44 N -1.26 -0.07 0.04 7.08 5.12 -1.26 0.37 116.66 126.68 2da3 n ARG 44 Ca -0.07 1.35 -0.11 0.00 -1.93 0.00 0.00 57.85 57.09 2da3 n ARG 44 Cb 0.58 -2.23 -0.04 0.00 -1.16 0.00 0.00 32.46 29.61 2da3 n ARG 44 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2da3 h LYS 45 N 0.00 -0.40 0.48 5.56 1.63 -1.99 0.67 116.57 122.51 2da3 h LYS 45 Ca 0.63 0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.44 2da3 h LYS 45 Cb 1.45 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 33.17 2da3 h LYS 45 CO -0.82 -0.27 -0.30 0.52 -3.45 0.00 0.00 179.45 175.13 2da3 h MET 46 N -0.42 -0.72 -1.01 1.90 2.86 -0.46 -1.28 114.93 115.80 2da3 h MET 46 Ca 0.08 0.05 0.24 0.00 -2.06 0.00 0.00 59.70 58.01 2da3 h MET 46 Cb 0.53 0.16 -0.12 0.00 0.06 0.00 0.00 31.60 32.24 2da3 h MET 46 CO -0.29 -0.48 0.61 -0.07 1.06 0.00 0.00 176.91 177.75 2da3 h LEU 47 N -0.74 0.64 -0.02 1.22 3.38 -1.06 0.24 115.31 118.97 2da3 h LEU 47 Ca -0.06 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2da3 h LEU 47 Cb 0.61 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2da3 h LEU 47 CO 0.06 0.12 -0.00 -0.78 0.09 0.00 0.00 178.44 177.92 2da3 h ASP 48 N 0.56 0.04 0.80 -0.43 1.82 -0.40 -2.14 116.42 116.66 2da3 h ASP 48 Ca 0.63 -0.32 -0.04 0.00 -0.39 0.00 0.00 57.03 56.91 2da3 h ASP 48 Cb 1.25 -0.01 0.01 0.00 0.68 0.00 0.00 39.33 41.26 2da3 h ASP 48 CO -0.43 0.34 -0.38 -0.74 -1.61 0.00 0.00 179.24 176.42 2da3 h HIS 49 N -0.27 -0.99 -0.71 0.28 2.76 0.11 -1.94 115.15 114.38 2da3 h HIS 49 Ca 0.01 -0.02 0.15 0.00 -2.20 0.00 0.00 60.37 58.30 2da3 h HIS 49 Cb 0.33 0.33 -0.13 0.00 1.55 0.00 0.00 27.41 29.48 2da3 h HIS 49 CO 0.03 -0.60 -0.09 0.82 -1.30 0.00 0.00 177.93 176.79 2da3 h ILE 50 N -1.16 0.33 0.00 6.26 2.04 -0.69 1.04 117.51 125.33 2da3 h ILE 50 Ca -0.11 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2da3 h ILE 50 Cb 0.83 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2da3 h ILE 50 CO 0.18 0.01 -0.03 0.00 0.00 0.00 0.00 178.15 178.31 2da3 h ALA 51 N 1.69 1.09 0.22 1.87 0.00 -1.30 -0.02 119.26 122.81 2da3 h ALA 51 Ca 0.36 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.93 2da3 h ALA 51 Cb 0.60 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.42 2da3 h ALA 51 CO -0.68 0.03 -1.42 1.25 0.00 0.00 0.00 179.25 178.43 2da3 h HIS 52 N 0.00 0.91 0.07 0.00 6.17 0.19 -1.29 115.15 121.19 2da3 h HIS 52 Ca -0.00 -0.65 -0.28 0.00 0.71 0.00 0.00 60.37 60.15 2da3 h HIS 52 Cb 0.22 -0.04 0.02 0.00 2.52 0.00 0.00 27.41 30.14 2da3 h HIS 52 CO 0.00 1.51 -1.15 1.05 0.71 0.00 0.00 177.93 180.05 2da3 h GLU 53 N 0.15 0.61 0.00 5.26 4.11 -0.60 -3.26 114.58 120.85 2da3 h GLU 53 Ca -0.23 -0.75 -0.12 0.00 0.07 0.00 0.00 59.36 58.32 2da3 h GLU 53 Cb 2.12 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 31.59 2da3 h GLU 53 CO 0.26 1.33 -0.59 0.28 0.07 0.00 0.00 179.01 180.36 2da3 h VAL 54 N 0.31 1.14 -1.62 -1.06 2.07 -1.14 -3.48 116.25 112.47 2da3 h VAL 54 Ca -0.15 -2.24 -0.04 0.00 0.82 0.00 0.00 66.70 65.08 2da3 h VAL 54 Cb 1.81 2.31 0.02 0.00 -1.52 0.00 0.00 31.29 33.91 2da3 h VAL 54 CO 0.22 0.58 -0.08 0.61 0.02 0.00 0.00 177.57 178.92 2da3 n GLY 55 N 0.78 0.75 3.16 2.17 0.00 -0.57 -4.97 105.19 106.52 2da3 n GLY 55 Ca 0.00 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.78 2.08 -0.49 0.99 2.96 -0.74 -4.89 118.68 116.82 2da3 s LEU 56 Ca 0.06 -0.36 -0.44 0.00 -0.22 0.00 0.00 54.13 53.17 2da3 s LEU 56 Cb -0.03 -0.81 -0.19 0.00 0.50 0.00 0.00 46.19 45.67 2da3 s LEU 56 CO 0.08 0.16 1.81 0.29 -1.32 0.00 0.00 176.35 177.37 2da3 n LYS 57 N 2.40 0.00 -0.32 1.98 4.76 -1.26 -4.67 118.16 121.05 2da3 n LYS 57 Ca -0.16 0.00 0.16 0.00 -2.87 0.00 0.00 58.31 55.44 2da3 n LYS 57 Cb 0.54 -1.46 0.32 0.00 -1.84 0.00 0.00 35.03 32.60 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 6.77 0.09 0.17 1.97 3.11 -1.89 0.12 116.57 126.90 2da3 h LYS 58 Ca -0.26 -0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.59 2da3 h LYS 58 Cb 1.35 -0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 32.53 2da3 h LYS 58 CO 1.00 0.06 -0.34 -0.09 -2.81 0.00 0.00 179.45 177.27 2da3 h ARG 59 N 0.09 -0.58 -1.00 1.90 9.65 -1.94 0.54 114.38 123.04 2da3 h ARG 59 Ca 0.60 0.04 0.09 0.00 -1.10 0.00 0.00 59.98 59.61 2da3 h ARG 59 Cb 1.28 0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 29.92 2da3 h ARG 59 CO -0.78 -0.39 0.64 0.28 2.80 0.00 0.00 179.97 182.52 2da3 h VAL 60 N -0.60 1.03 -0.05 0.20 2.07 -1.18 0.76 116.25 118.48 2da3 h VAL 60 Ca 0.02 -0.38 -0.12 0.00 0.82 0.00 0.00 66.70 67.03 2da3 h VAL 60 Cb 0.61 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2da3 h VAL 60 CO -0.17 0.20 -0.54 0.58 0.02 0.00 0.00 177.57 177.66 2da3 h VAL 61 N 1.11 1.37 0.09 2.57 2.07 -0.47 -0.16 116.25 122.84 2da3 h VAL 61 Ca 0.46 -1.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.13 2da3 h VAL 61 Cb 0.28 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2da3 h VAL 61 CO -0.21 0.54 -0.04 -0.61 0.02 0.00 0.00 177.57 177.27 2da3 h GLN 62 N 0.10 -0.12 -0.08 1.57 4.15 0.15 -3.30 115.11 117.58 2da3 h GLN 62 Ca -0.00 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 2da3 h GLN 62 Cb 0.99 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.70 2da3 h GLN 62 CO 0.08 0.40 0.01 0.28 -1.93 0.00 0.00 178.83 177.66 2da3 h VAL 63 N -0.77 1.23 -1.14 2.39 2.07 -0.96 -2.77 116.25 116.31 2da3 h VAL 63 Ca -0.01 -0.72 0.33 0.00 0.82 0.00 0.00 66.70 67.11 2da3 h VAL 63 Cb 0.57 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 2da3 h VAL 63 CO 0.02 0.20 1.16 -0.25 0.02 0.00 0.00 177.57 178.73 2da3 h TRP 64 N -0.12 0.00 0.04 1.57 7.01 -1.14 0.77 115.95 124.08 2da3 h TRP 64 Ca 0.02 0.00 -0.11 0.00 2.11 0.00 0.00 58.89 60.92 2da3 h TRP 64 Cb 0.31 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.37 2da3 h TRP 64 CO 0.02 0.00 -0.53 0.74 -2.79 0.00 0.00 178.44 175.88 2da3 h PHE 65 N 0.00 0.17 -0.19 2.65 -1.00 -1.56 -2.84 116.94 114.16 2da3 h PHE 65 Ca 0.54 -0.12 -0.05 0.00 2.81 0.00 0.00 57.97 61.15 2da3 h PHE 65 Cb 2.86 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 42.40 2da3 h PHE 65 CO 0.00 1.21 -0.12 -0.56 -1.61 0.00 0.00 178.31 177.22 2da3 h GLN 66 N -0.79 0.30 -0.18 1.51 3.07 0.41 -2.58 115.11 116.86 2da3 h GLN 66 Ca -0.12 -0.07 -0.20 0.00 0.09 0.00 0.00 58.65 58.35 2da3 h GLN 66 Cb 1.27 -0.04 0.01 0.00 0.08 0.00 0.00 27.48 28.80 2da3 h GLN 66 CO 0.00 0.43 -0.67 -0.91 0.09 0.00 0.00 178.83 177.78 2da3 h ASN 67 N 0.29 0.91 -0.21 0.06 2.35 -0.76 -3.07 115.58 115.14 2da3 h ASN 67 Ca 0.06 -0.60 0.01 0.00 -0.55 0.00 0.00 56.30 55.21 2da3 h ASN 67 Cb 0.40 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 2da3 h ASN 67 CO 0.02 1.36 0.11 0.74 -1.65 0.00 0.00 177.43 178.01 2da3 h THR 68 N 0.51 1.00 -0.59 2.81 2.02 -1.23 -1.84 112.91 115.58 2da3 h THR 68 Ca -0.03 -0.08 0.07 0.00 0.77 0.00 0.00 66.41 67.14 2da3 h THR 68 Cb 1.30 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 68.40 2da3 h THR 68 CO 0.14 0.04 0.28 0.03 0.37 0.00 0.00 175.52 176.38 2da3 h ARG 69 N 0.23 0.49 -0.48 6.66 3.08 -1.52 -1.28 114.38 121.56 2da3 h ARG 69 Ca 0.08 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.11 2da3 h ARG 69 Cb 0.01 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 2da3 h ARG 69 CO -0.05 0.33 0.31 0.00 -1.07 0.00 0.00 179.97 179.48 2da3 h ALA 70 N 1.36 0.61 0.32 0.04 0.00 -1.38 -2.88 119.26 117.33 2da3 h ALA 70 Ca 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2da3 h ALA 70 Cb 0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2da3 h ALA 70 CO -0.23 0.03 -0.20 0.00 0.00 0.00 0.00 179.25 178.85 2da3 h ARG 71 N 0.62 -0.48 -1.24 0.00 3.08 -0.64 -2.06 114.38 113.65 2da3 h ARG 71 Ca 0.18 0.03 0.36 0.00 0.07 0.00 0.00 59.98 60.62 2da3 h ARG 71 Cb -0.04 0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.04 2da3 h ARG 71 CO -0.06 -0.32 0.85 0.93 -1.07 0.00 0.00 179.97 180.30 2da3 h GLU 72 N -0.50 0.13 -0.31 0.04 4.39 -1.11 0.45 114.58 117.67 2da3 h GLU 72 Ca -0.03 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 2da3 h GLU 72 Cb 0.42 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2da3 h GLU 72 CO 0.03 0.09 -0.20 0.00 -1.16 0.00 0.00 179.01 177.77 2da3 h ARG 73 N 0.14 0.69 -5.37 2.33 2.47 -1.17 -3.44 114.38 110.02 2da3 h ARG 73 Ca 0.66 -0.32 -0.77 0.00 -1.26 0.00 0.00 59.98 58.28 2da3 h ARG 73 Cb 2.23 -0.01 0.02 0.00 -1.65 0.00 0.00 29.97 30.56 2da3 h ARG 73 CO -0.17 0.92 0.50 1.17 0.56 0.00 0.00 179.97 182.95 2da3 n LYS 74 N -4.33 0.00 -4.38 0.04 4.81 0.16 -4.93 118.16 109.53 2da3 n LYS 74 Ca -0.03 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.12 2da3 n LYS 74 Cb 0.42 -1.34 -0.13 0.00 0.02 0.00 0.00 35.03 34.00 2da3 n LYS 74 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2da3 s SER 75 N 2.12 3.42 0.00 3.14 0.01 -1.26 -5.05 113.70 116.08 2da3 s SER 75 Ca 0.91 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 57.45 2da3 s SER 75 Cb -1.30 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 64.66 2da3 s SER 75 CO 0.69 0.18 0.00 0.61 0.41 0.00 0.00 173.24 175.12 2da3 n GLY 76 N 0.87 0.74 3.76 3.44 0.00 -1.26 -5.10 105.19 107.64 2da3 n GLY 76 Ca -0.17 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.52 2da3 n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2da3 s PRO 77 N -1.10 2.03 -1.24 1.61 0.04 -1.26 -4.93 135.00 130.14 2da3 s PRO 77 Ca 0.00 1.09 -0.17 0.00 0.04 0.00 0.00 61.00 61.96 2da3 s PRO 77 Cb 0.00 -1.88 0.11 0.00 0.04 0.00 0.00 34.50 32.77 2da3 s PRO 77 CO 0.00 -1.78 1.60 -1.54 0.04 0.00 0.00 177.00 175.32 2da3 s SER 78 N -3.40 6.89 -0.50 6.66 1.04 -1.26 -4.95 113.70 118.18 2da3 s SER 78 Ca 0.62 -2.57 -0.27 0.00 0.48 0.00 0.00 55.95 54.21 2da3 s SER 78 Cb -0.17 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.41 2da3 s SER 78 CO 0.56 -1.04 1.92 -0.44 0.98 0.00 0.00 173.24 175.22 2da3 s SER 79 N 3.78 5.36 0.00 7.02 0.01 -1.26 -5.32 113.70 123.29 2da3 s SER 79 Ca 0.49 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.52 2da3 s SER 79 Cb 0.01 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2da3 s SER 79 CO 0.04 -2.22 0.00 0.61 0.41 0.00 0.00 173.24 172.07