#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 1.66 0.08 1.61 0.01 -1.26 -5.15 113.70 110.65 2da3 s SER 2 Ca 0.00 -0.71 -0.27 0.00 1.31 0.00 0.00 55.95 56.28 2da3 s SER 2 Cb 0.00 -0.04 0.09 0.00 0.21 0.00 0.00 66.02 66.28 2da3 s SER 2 CO 0.00 -0.14 1.13 -0.55 0.41 0.00 0.00 173.24 174.08 2da3 s SER 3 N -2.08 -0.09 0.00 2.44 0.15 -1.26 -5.16 113.70 107.70 2da3 s SER 3 Ca 0.02 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2da3 s SER 3 Cb -0.07 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 2da3 s SER 3 CO 0.02 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.44 2da3 n GLY 4 N -0.55 1.93 3.47 9.45 0.00 -1.26 -5.19 105.19 113.05 2da3 n GLY 4 Ca -0.06 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 2da3 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2da3 s SER 5 N 0.00 2.46 0.09 1.61 1.04 -1.26 -5.17 113.70 112.48 2da3 s SER 5 Ca 0.00 -1.46 0.04 0.00 0.48 0.00 0.00 55.95 55.01 2da3 s SER 5 Cb 0.00 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 2da3 s SER 5 CO 0.00 -0.70 -0.10 -0.94 0.98 0.00 0.00 173.24 172.48 2da3 s SER 6 N -3.52 1.42 0.26 7.02 1.04 -1.26 -5.16 113.70 113.50 2da3 s SER 6 Ca 0.33 -0.81 -0.04 0.00 0.48 0.00 0.00 55.95 55.91 2da3 s SER 6 Cb 0.07 0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.22 2da3 s SER 6 CO 0.15 -0.26 0.42 0.61 0.98 0.00 0.00 173.24 175.13 2da3 n GLY 7 N 0.59 2.04 0.00 7.32 0.00 -1.26 -5.10 105.19 108.78 2da3 n GLY 7 Ca -0.16 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.40 -0.09 3.63 -0.02 0.00 -1.26 -5.17 105.19 101.88 2da3 n GLY 8 Ca -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 2da3 n GLY 8 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2da3 s THR 9 N 0.00 -0.03 0.37 2.61 -1.32 -1.26 -5.15 115.64 110.86 2da3 s THR 9 Ca 0.00 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.20 2da3 s THR 9 Cb 0.00 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.88 2da3 s THR 9 CO 0.00 0.00 1.37 0.61 -2.21 0.00 0.00 174.62 174.39 2da3 n GLY 10 N 3.86 0.85 3.32 6.08 0.00 -1.26 -5.01 105.19 113.04 2da3 n GLY 10 Ca -0.18 0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 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 0.63 0.64 3.06 -0.02 0.00 -1.26 -5.13 105.19 103.11 2da3 n GLY 11 Ca 0.03 -2.02 -0.11 0.00 0.00 0.00 0.00 46.02 43.93 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 -4.73 0.52 0.61 1.61 8.01 -1.26 -5.13 118.70 118.33 2da3 s GLU 12 Ca 0.57 -0.86 -0.18 0.00 0.01 0.00 0.00 54.97 54.51 2da3 s GLU 12 Cb -0.03 -0.09 -0.11 0.00 -4.31 0.00 0.00 34.13 29.58 2da3 s GLU 12 CO 0.38 -0.01 0.09 -0.85 0.01 0.00 0.00 175.26 174.87 2da3 n GLU 13 N 1.10 0.18 -1.10 1.61 0.00 -1.26 -4.95 120.64 116.23 2da3 n GLU 13 Ca -0.20 0.08 -0.30 0.00 0.00 0.00 0.00 57.16 56.73 2da3 n GLU 13 Cb 0.56 -1.33 0.23 0.00 0.00 0.00 0.00 31.44 30.90 2da3 n GLU 13 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2da3 s PRO 14 N -1.71 -0.88 -0.31 3.44 0.04 -1.26 -5.03 135.00 129.29 2da3 s PRO 14 Ca 0.60 0.06 -0.07 0.00 0.04 0.00 0.00 61.00 61.62 2da3 s PRO 14 Cb -0.42 -1.63 0.02 0.00 0.04 0.00 0.00 34.50 32.51 2da3 s PRO 14 CO 0.63 -3.51 0.11 -0.65 0.04 0.00 0.00 177.00 173.62 2da3 s GLN 15 N -5.30 2.99 -0.01 4.56 1.11 -1.26 -5.08 119.66 116.66 2da3 s GLN 15 Ca 0.70 -0.94 0.07 0.00 0.01 0.00 0.00 55.36 55.20 2da3 s GLN 15 Cb -0.12 -3.45 -0.02 0.00 -1.01 0.00 0.00 33.01 28.41 2da3 s GLN 15 CO 0.56 -0.52 -0.21 -0.98 0.01 0.00 0.00 175.29 174.16 2da3 s ARG 16 N 1.50 1.64 0.01 2.91 1.70 -1.26 -5.13 118.95 120.31 2da3 s ARG 16 Ca 0.02 -0.78 -0.28 0.00 -0.47 0.00 0.00 55.73 54.22 2da3 s ARG 16 Cb -0.18 -1.62 0.09 0.00 -0.57 0.00 0.00 34.95 32.68 2da3 s ARG 16 CO 0.03 0.44 0.81 0.34 -1.08 0.00 0.00 175.30 175.84 2da3 s ASP 17 N -0.61 -0.45 -0.40 -2.89 2.15 -1.26 -5.04 116.67 108.17 2da3 s ASP 17 Ca 0.08 0.14 -0.01 0.00 0.43 0.00 0.00 52.55 53.18 2da3 s ASP 17 Cb -0.08 0.45 0.26 0.00 -0.30 0.00 0.00 42.92 43.24 2da3 s ASP 17 CO -0.00 -0.67 2.07 1.17 -0.17 0.00 0.00 175.17 177.56 2da3 n LYS 18 N -0.02 2.03 -0.03 4.34 4.81 -1.26 -4.07 118.16 123.96 2da3 n LYS 18 Ca -0.12 -1.99 0.03 0.00 -0.87 0.00 0.00 58.31 55.36 2da3 n LYS 18 Cb 0.62 -1.79 -0.14 0.00 0.02 0.00 0.00 35.03 33.74 2da3 n LYS 18 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 2da3 n ARG 19 N 0.11 0.80 -1.69 1.64 1.85 -1.26 -4.92 116.66 113.18 2da3 n ARG 19 Ca 0.38 -0.11 -0.42 0.00 -1.00 0.00 0.00 57.85 56.70 2da3 n ARG 19 Cb 0.59 -1.43 -0.03 0.00 -1.05 0.00 0.00 32.46 30.54 2da3 n ARG 19 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2da3 s LEU 20 N -4.60 3.44 0.29 2.89 1.43 -1.26 -4.95 118.68 115.92 2da3 s LEU 20 Ca -0.07 1.66 0.12 0.00 -1.03 0.00 0.00 54.13 54.80 2da3 s LEU 20 Cb 0.09 -3.40 -0.05 0.00 0.03 0.00 0.00 46.19 42.86 2da3 s LEU 20 CO 0.73 -2.02 -0.18 -0.60 0.23 0.00 0.00 176.35 174.51 2da3 s ARG 21 N 6.42 1.71 -0.03 1.70 6.06 -1.26 -4.96 118.95 128.59 2da3 s ARG 21 Ca 0.96 -1.80 -0.20 0.00 -2.50 0.00 0.00 55.73 52.19 2da3 s ARG 21 Cb -0.29 -1.76 -0.12 0.00 0.06 0.00 0.00 34.95 32.84 2da3 s ARG 21 CO 0.34 0.30 0.85 1.79 -2.50 0.00 0.00 175.30 176.07 2da3 h THR 22 N 2.22 0.31 -4.24 4.11 1.35 -2.01 -3.38 112.91 111.27 2da3 h THR 22 Ca -0.40 -0.68 -0.51 0.00 -0.55 0.00 0.00 66.41 64.26 2da3 h THR 22 Cb 1.26 0.49 0.12 0.00 -1.73 0.00 0.00 68.15 68.29 2da3 h THR 22 CO 0.62 0.07 0.35 -0.89 -0.25 0.00 0.00 175.52 175.41 2da3 s THR 23 N -3.75 3.09 0.39 6.82 2.01 -1.26 -4.94 115.64 117.99 2da3 s THR 23 Ca -0.11 0.45 -0.01 0.00 0.31 0.00 0.00 61.69 62.33 2da3 s THR 23 Cb 0.01 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 2da3 s THR 23 CO 0.37 -0.37 0.61 -0.63 -0.69 0.00 0.00 174.62 173.90 2da3 s ILE 24 N -2.51 4.92 0.18 1.82 1.01 -1.26 -5.03 121.20 120.32 2da3 s ILE 24 Ca 0.66 -0.35 0.08 0.00 0.00 0.00 0.00 60.65 61.03 2da3 s ILE 24 Cb -0.20 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 2da3 s ILE 24 CO 0.48 -0.58 -0.02 0.42 0.00 0.00 0.00 174.94 175.24 2da3 s THR 25 N -2.43 3.60 -0.58 2.92 -4.23 -1.26 -5.01 115.64 108.66 2da3 s THR 25 Ca 0.42 -1.48 0.22 0.00 -1.18 0.00 0.00 61.69 59.67 2da3 s THR 25 Cb -0.10 -2.81 0.22 0.00 1.34 0.00 0.00 72.50 71.16 2da3 s THR 25 CO 0.38 -0.11 1.66 -0.81 -0.54 0.00 0.00 174.62 175.19 2da3 n PRO 26 N -0.10 0.16 0.01 3.99 -0.04 -1.26 -1.63 135.00 136.13 2da3 n PRO 26 Ca -0.10 0.39 0.07 0.00 -0.04 0.00 0.00 63.50 63.83 2da3 n PRO 26 Cb 0.55 -1.80 -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 -2.09 0.65 -0.01 0.54 1.02 -1.26 -4.37 120.64 115.12 2da3 n GLU 27 Ca 0.02 -0.05 -0.22 0.00 -0.02 0.00 0.00 57.16 56.90 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 -0.75 3.49 4.20 -1.83 -3.39 115.11 117.05 2da3 h GLN 28 Ca -0.09 -0.38 0.12 0.00 0.06 0.00 0.00 58.65 58.36 2da3 h GLN 28 Cb 1.22 0.14 -0.13 0.00 0.30 0.00 0.00 27.48 29.02 2da3 h GLN 28 CO 0.01 1.18 -0.40 -0.07 -0.67 0.00 0.00 178.83 178.89 2da3 h LEU 29 N -0.25 -1.41 -0.70 1.46 3.38 -1.51 -0.86 115.31 115.42 2da3 h LEU 29 Ca -0.36 0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.96 2da3 h LEU 29 Cb 1.81 0.69 -0.10 0.00 0.09 0.00 0.00 40.66 43.16 2da3 h LEU 29 CO 0.03 -0.30 -0.36 -0.62 0.09 0.00 0.00 178.44 177.28 2da3 n GLU 30 N -5.43 -0.25 -0.13 1.13 -0.58 -1.26 0.13 120.64 114.25 2da3 n GLU 30 Ca 0.05 1.07 -0.04 0.00 -0.42 0.00 0.00 57.16 57.82 2da3 n GLU 30 Cb 0.36 -1.58 0.04 0.00 -0.57 0.00 0.00 31.44 29.69 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 0.73 -0.09 -3.67 2.04 -1.39 0.13 117.51 115.27 2da3 h ILE 31 Ca 0.17 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.98 2da3 h ILE 31 Cb 0.34 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2da3 h ILE 31 CO -0.68 0.03 0.02 -0.07 0.00 0.00 0.00 178.15 177.45 2da3 h LEU 32 N 0.16 0.01 -0.42 1.44 3.38 0.12 0.88 115.31 120.88 2da3 h LEU 32 Ca 0.21 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.21 2da3 h LEU 32 Cb 0.28 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2da3 h LEU 32 CO -0.31 0.02 0.24 1.88 0.09 0.00 0.00 178.44 180.36 2da3 h TYR 33 N 0.06 0.45 -0.82 1.13 0.05 0.04 0.40 116.97 118.28 2da3 h TYR 33 Ca 0.04 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.80 2da3 h TYR 33 Cb 0.03 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 37.59 2da3 h TYR 33 CO -0.11 0.26 0.36 1.96 -1.05 0.00 0.00 178.16 179.58 2da3 h GLN 34 N 0.49 1.19 -0.05 4.88 1.08 -0.48 0.13 115.11 122.35 2da3 h GLN 34 Ca 0.17 -0.19 -0.16 0.00 -1.45 0.00 0.00 58.65 57.02 2da3 h GLN 34 Cb 0.02 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 2da3 h GLN 34 CO -0.08 0.94 -0.67 0.87 -0.95 0.00 0.00 178.83 178.93 2da3 h LYS 35 N 1.17 0.21 0.00 1.46 1.79 -0.31 -3.09 116.57 117.80 2da3 h LYS 35 Ca 0.28 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.59 2da3 h LYS 35 Cb 0.16 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2da3 h LYS 35 CO -0.03 0.80 -0.00 -0.92 -1.08 0.00 0.00 179.45 178.22 2da3 h TYR 36 N 0.14 -0.00 -0.99 -1.35 3.20 0.21 0.40 116.97 118.57 2da3 h TYR 36 Ca -0.02 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.04 2da3 h TYR 36 Cb 1.21 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 39.38 2da3 h TYR 36 CO 0.02 0.55 0.61 -0.07 -1.64 0.00 0.00 178.16 177.64 2da3 h LEU 37 N -0.56 0.74 0.08 2.82 3.38 -1.04 -1.04 115.31 119.70 2da3 h LEU 37 Ca -0.00 0.08 -0.30 0.00 0.09 0.00 0.00 57.88 57.76 2da3 h LEU 37 Cb 0.56 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2da3 h LEU 37 CO 0.00 0.28 -1.53 0.17 0.09 0.00 0.00 178.44 177.45 2da3 h LEU 38 N 0.73 0.28 -7.12 1.67 8.10 -1.53 -3.43 115.31 114.01 2da3 h LEU 38 Ca 0.56 -0.41 -0.54 0.00 0.11 0.00 0.00 57.88 57.59 2da3 h LEU 38 Cb 0.91 -0.09 -0.40 0.00 -0.44 0.00 0.00 40.66 40.63 2da3 h LEU 38 CO -0.34 1.35 -0.76 -0.62 -4.11 0.00 0.00 178.44 173.96 2da3 s ASP 39 N -6.80 3.47 0.00 0.17 -1.08 0.14 -4.96 116.67 107.61 2da3 s ASP 39 Ca -0.08 -1.23 0.18 0.00 -0.52 0.00 0.00 52.55 50.90 2da3 s ASP 39 Cb 0.07 -0.64 -0.03 0.00 -1.46 0.00 0.00 42.92 40.86 2da3 s ASP 39 CO 0.84 -0.38 0.91 -1.20 0.52 0.00 0.00 175.17 175.86 2da3 n SER 40 N 5.02 1.63 -2.55 -0.34 7.64 -0.96 -3.83 113.62 120.23 2da3 n SER 40 Ca -0.06 -1.32 -0.16 0.00 1.01 0.00 0.00 58.87 58.34 2da3 n SER 40 Cb 0.44 0.55 0.02 0.00 -1.01 0.00 0.00 64.21 64.21 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 -0.28 3.01 -4.74 6.43 3.02 -1.26 -4.97 115.26 116.47 2da3 n ASN 41 Ca 0.07 -3.12 -0.30 0.00 -0.03 0.00 0.00 54.58 51.20 2da3 n ASN 41 Cb 0.37 -0.48 0.11 0.00 -0.61 0.00 0.00 39.78 39.17 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 -3.39 1.78 0.22 3.52 0.04 -1.26 -5.06 135.00 130.85 2da3 s PRO 42 Ca 0.37 1.01 0.05 0.00 0.04 0.00 0.00 61.00 62.47 2da3 s PRO 42 Cb 0.42 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 33.07 2da3 s PRO 42 CO -0.06 -1.93 0.31 -0.08 0.04 0.00 0.00 177.00 175.29 2da3 s THR 43 N -2.92 5.12 0.30 1.26 -1.32 -1.26 -4.90 115.64 111.92 2da3 s THR 43 Ca 0.62 -1.01 0.11 0.00 -1.21 0.00 0.00 61.69 60.20 2da3 s THR 43 Cb -0.18 -3.75 0.33 0.00 -1.51 0.00 0.00 72.50 67.40 2da3 s THR 43 CO 0.56 -0.29 1.37 0.54 -2.21 0.00 0.00 174.62 174.60 2da3 n ARG 44 N -1.20 -0.06 0.10 7.08 5.12 -1.26 0.48 116.66 126.92 2da3 n ARG 44 Ca -0.08 1.25 -0.13 0.00 -1.93 0.00 0.00 57.85 56.95 2da3 n ARG 44 Cb 0.57 -2.12 -0.06 0.00 -1.16 0.00 0.00 32.46 29.69 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 -0.54 0.26 5.56 1.63 -1.99 -0.26 116.57 121.23 2da3 h LYS 45 Ca 0.64 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.48 2da3 h LYS 45 Cb 1.55 0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 33.28 2da3 h LYS 45 CO -0.74 -0.36 -0.28 0.52 -3.45 0.00 0.00 179.45 175.15 2da3 h MET 46 N -0.56 -0.55 -1.01 1.90 2.86 -0.35 -1.12 114.93 116.10 2da3 h MET 46 Ca 0.04 0.04 0.24 0.00 -2.06 0.00 0.00 59.70 57.96 2da3 h MET 46 Cb 0.60 0.13 -0.12 0.00 0.06 0.00 0.00 31.60 32.26 2da3 h MET 46 CO -0.22 -0.37 0.60 -0.07 1.06 0.00 0.00 176.91 177.91 2da3 h LEU 47 N -0.57 0.67 -0.04 1.22 3.38 -1.14 0.29 115.31 119.12 2da3 h LEU 47 Ca -0.00 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2da3 h LEU 47 Cb 0.54 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2da3 h LEU 47 CO -0.07 0.11 -0.00 -0.78 0.09 0.00 0.00 178.44 177.78 2da3 h ASP 48 N 0.58 0.08 0.82 -0.43 3.58 -0.38 -2.03 116.42 118.64 2da3 h ASP 48 Ca 0.64 -0.33 -0.04 0.00 0.42 0.00 0.00 57.03 57.73 2da3 h ASP 48 Cb 1.22 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 42.26 2da3 h ASP 48 CO -0.47 0.38 -0.40 -0.74 -2.88 0.00 0.00 179.24 175.14 2da3 h HIS 49 N -0.23 -1.03 -0.71 0.28 2.76 0.19 -1.85 115.15 114.56 2da3 h HIS 49 Ca 0.01 -0.02 0.15 0.00 -2.20 0.00 0.00 60.37 58.31 2da3 h HIS 49 Cb 0.35 0.34 -0.12 0.00 1.55 0.00 0.00 27.41 29.52 2da3 h HIS 49 CO 0.04 -0.63 -0.03 0.82 -1.30 0.00 0.00 177.93 176.83 2da3 h ILE 50 N -1.21 0.37 0.00 6.26 2.04 -0.60 1.02 117.51 125.40 2da3 h ILE 50 Ca -0.11 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 2da3 h ILE 50 Cb 0.86 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2da3 h ILE 50 CO 0.19 0.02 -0.01 0.00 0.00 0.00 0.00 178.15 178.34 2da3 h ALA 51 N 1.67 1.03 0.10 1.87 0.00 -1.29 0.34 119.26 122.98 2da3 h ALA 51 Ca 0.37 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.98 2da3 h ALA 51 Cb 0.63 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2da3 h ALA 51 CO -0.64 0.01 -1.51 1.25 0.00 0.00 0.00 179.25 178.36 2da3 h HIS 52 N 0.00 0.40 0.18 0.00 -0.00 0.18 -1.87 115.15 114.05 2da3 h HIS 52 Ca -0.00 -0.29 -0.31 0.00 -0.00 0.00 0.00 60.37 59.77 2da3 h HIS 52 Cb 0.24 -0.02 0.03 0.00 -0.00 0.00 0.00 27.41 27.66 2da3 h HIS 52 CO 0.00 1.34 -1.34 1.05 -0.00 0.00 0.00 177.93 178.98 2da3 h GLU 53 N 0.06 0.51 0.00 5.26 4.11 -0.34 -3.28 114.58 120.90 2da3 h GLU 53 Ca -0.23 -0.79 -0.08 0.00 0.07 0.00 0.00 59.36 58.34 2da3 h GLU 53 Cb 2.00 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 31.52 2da3 h GLU 53 CO 0.16 1.37 -0.36 0.28 0.07 0.00 0.00 179.01 180.52 2da3 h VAL 54 N 0.17 0.67 -1.86 -1.06 2.07 -1.10 -3.48 116.25 111.67 2da3 h VAL 54 Ca -0.21 -1.73 -0.06 0.00 0.82 0.00 0.00 66.70 65.52 2da3 h VAL 54 Cb 2.03 2.17 0.02 0.00 -1.52 0.00 0.00 31.29 33.99 2da3 h VAL 54 CO 0.25 0.35 -0.11 0.61 0.02 0.00 0.00 177.57 178.69 2da3 n GLY 55 N 0.86 0.68 3.13 2.17 0.00 -0.94 -4.95 105.19 106.14 2da3 n GLY 55 Ca 0.02 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.09 1.95 -0.39 0.99 2.96 -0.75 -4.52 118.68 116.83 2da3 s LEU 56 Ca 0.09 -0.31 -0.36 0.00 -0.22 0.00 0.00 54.13 53.33 2da3 s LEU 56 Cb -0.04 -0.88 -0.15 0.00 0.50 0.00 0.00 46.19 45.62 2da3 s LEU 56 CO 0.12 0.16 1.49 0.29 -1.32 0.00 0.00 176.35 177.10 2da3 n LYS 57 N 2.97 0.00 -0.36 1.98 4.76 -1.26 -4.65 118.16 121.60 2da3 n LYS 57 Ca -0.17 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.32 2da3 n LYS 57 Cb 0.54 -1.18 0.13 0.00 -1.84 0.00 0.00 35.03 32.67 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 5.67 -0.00 -0.18 1.97 3.11 -1.91 0.31 116.57 125.55 2da3 h LYS 58 Ca -0.20 0.00 0.05 0.00 -2.81 0.00 0.00 60.65 57.69 2da3 h LYS 58 Cb 1.10 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 32.27 2da3 h LYS 58 CO 0.82 -0.00 -0.21 -0.09 -2.81 0.00 0.00 179.45 177.16 2da3 h ARG 59 N -0.00 -0.23 -0.83 1.90 9.65 -1.95 0.57 114.38 123.49 2da3 h ARG 59 Ca 0.46 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.44 2da3 h ARG 59 Cb 0.70 0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 29.28 2da3 h ARG 59 CO -1.01 -0.15 0.54 0.28 2.80 0.00 0.00 179.97 182.43 2da3 h VAL 60 N -0.24 0.99 -0.00 0.20 2.07 -0.78 0.11 116.25 118.59 2da3 h VAL 60 Ca 0.12 -0.29 -0.18 0.00 0.82 0.00 0.00 66.70 67.17 2da3 h VAL 60 Cb 0.41 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2da3 h VAL 60 CO -0.32 0.15 -0.82 0.58 0.02 0.00 0.00 177.57 177.18 2da3 h VAL 61 N 0.83 1.53 -0.01 2.57 2.07 0.18 -1.55 116.25 121.88 2da3 h VAL 61 Ca 0.37 -2.66 -0.01 0.00 0.82 0.00 0.00 66.70 65.23 2da3 h VAL 61 Cb 0.35 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2da3 h VAL 61 CO -0.14 0.77 -0.04 -0.61 0.02 0.00 0.00 177.57 177.56 2da3 h GLN 62 N 0.05 0.05 -0.35 1.57 4.15 0.15 -3.24 115.11 117.49 2da3 h GLN 62 Ca -0.02 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.27 2da3 h GLN 62 Cb 1.44 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.12 2da3 h GLN 62 CO 0.12 0.64 -0.14 0.28 -1.93 0.00 0.00 178.83 177.80 2da3 h VAL 63 N -0.53 1.28 -0.87 2.39 2.07 -0.93 -2.82 116.25 116.83 2da3 h VAL 63 Ca -0.00 -1.23 0.25 0.00 0.82 0.00 0.00 66.70 66.54 2da3 h VAL 63 Cb 0.64 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 2da3 h VAL 63 CO 0.01 0.40 0.76 -0.25 0.02 0.00 0.00 177.57 178.51 2da3 h TRP 64 N 0.49 0.00 0.01 1.57 7.01 -1.37 0.23 115.95 123.89 2da3 h TRP 64 Ca 0.08 0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.01 2da3 h TRP 64 Cb 0.66 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.71 2da3 h TRP 64 CO 0.06 0.00 -0.36 0.74 -2.79 0.00 0.00 178.44 176.09 2da3 h PHE 65 N 0.00 0.03 -0.13 2.65 -1.00 -1.52 -2.87 116.94 114.10 2da3 h PHE 65 Ca 0.41 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 61.17 2da3 h PHE 65 Cb 1.94 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.49 2da3 h PHE 65 CO 0.00 1.14 0.05 -0.56 -1.61 0.00 0.00 178.31 177.33 2da3 h GLN 66 N -0.96 0.17 -0.04 1.51 3.07 -0.87 -1.80 115.11 116.20 2da3 h GLN 66 Ca -0.09 -0.01 -0.09 0.00 0.09 0.00 0.00 58.65 58.55 2da3 h GLN 66 Cb 1.12 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.64 2da3 h GLN 66 CO -0.04 0.14 -0.31 -0.91 0.09 0.00 0.00 178.83 177.81 2da3 h ASN 67 N 0.18 0.34 -0.57 0.06 2.35 -0.76 -3.08 115.58 114.10 2da3 h ASN 67 Ca 0.05 -0.69 0.04 0.00 -0.55 0.00 0.00 56.30 55.15 2da3 h ASN 67 Cb 0.03 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 2da3 h ASN 67 CO -0.01 0.98 0.33 0.74 -1.65 0.00 0.00 177.43 177.82 2da3 h THR 68 N -0.26 1.02 0.20 2.81 2.02 -1.23 -2.76 112.91 114.71 2da3 h THR 68 Ca -0.03 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 66.95 2da3 h THR 68 Cb 0.99 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 2da3 h THR 68 CO 0.06 0.12 -0.31 0.03 0.37 0.00 0.00 175.52 175.79 2da3 h ARG 69 N 0.64 -0.56 -0.97 6.66 3.08 -1.41 0.09 114.38 121.91 2da3 h ARG 69 Ca 0.24 0.04 0.25 0.00 0.07 0.00 0.00 59.98 60.58 2da3 h ARG 69 Cb 0.07 0.13 -0.13 0.00 0.08 0.00 0.00 29.97 30.12 2da3 h ARG 69 CO -0.13 -0.37 0.53 0.00 -1.07 0.00 0.00 179.97 178.93 2da3 h ALA 70 N 0.03 1.72 -0.13 0.04 0.00 -1.41 0.23 119.26 119.74 2da3 h ALA 70 Ca 0.01 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2da3 h ALA 70 Cb 0.58 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2da3 h ALA 70 CO -0.13 -0.36 -0.12 0.00 0.00 0.00 0.00 179.25 178.64 2da3 h ARG 71 N 0.47 0.31 -0.74 0.00 3.08 -1.08 0.53 114.38 116.94 2da3 h ARG 71 Ca 0.64 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 60.55 2da3 h ARG 71 Cb 1.27 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.29 2da3 h ARG 71 CO -0.52 0.70 0.48 0.93 -1.07 0.00 0.00 179.97 180.48 2da3 h GLU 72 N -0.08 0.92 -0.20 0.04 4.39 1.00 -2.74 114.58 117.91 2da3 h GLU 72 Ca 0.02 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 59.51 2da3 h GLU 72 Cb 0.65 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2da3 h GLU 72 CO 0.03 0.61 -0.50 0.07 -1.16 0.00 0.00 179.01 178.06 2da3 h ARG 73 N 0.95 0.68 -5.94 2.33 0.11 -0.66 -3.44 114.38 108.41 2da3 h ARG 73 Ca 0.29 -0.47 -0.69 0.00 0.10 0.00 0.00 59.98 59.20 2da3 h ARG 73 Cb -0.03 0.07 -0.03 0.00 1.11 0.00 0.00 29.97 31.09 2da3 h ARG 73 CO -0.09 1.09 1.40 1.17 0.10 0.00 0.00 179.97 183.65 2da3 n LYS 74 N -4.15 0.64 -1.39 0.08 4.81 0.17 -4.80 118.16 113.53 2da3 n LYS 74 Ca -0.06 0.17 -0.44 0.00 -0.87 0.00 0.00 58.31 57.10 2da3 n LYS 74 Cb 0.59 -2.09 -0.01 0.00 0.02 0.00 0.00 35.03 33.54 2da3 n LYS 74 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2da3 n SER 75 N 9.16 -1.61 0.00 3.14 2.88 -1.26 -4.69 113.62 121.25 2da3 n SER 75 Ca 0.47 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.98 2da3 n SER 75 Cb 0.13 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 2da3 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2da3 n GLY 76 N 2.03 0.75 3.77 0.46 0.00 -1.26 -5.11 105.19 105.82 2da3 n GLY 76 Ca 0.14 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.36 3.79 -0.29 1.61 0.04 -1.26 -5.03 135.00 133.50 2da3 s PRO 77 Ca 0.00 1.78 0.02 0.00 0.04 0.00 0.00 61.00 62.83 2da3 s PRO 77 Cb 0.00 -2.43 0.06 0.00 0.04 0.00 0.00 34.50 32.17 2da3 s PRO 77 CO 0.00 -0.53 -0.05 0.45 0.04 0.00 0.00 177.00 176.91 2da3 s SER 78 N -1.34 4.64 -0.57 6.66 0.15 -1.26 -5.07 113.70 116.91 2da3 s SER 78 Ca 0.63 -1.48 -0.21 0.00 0.70 0.00 0.00 55.95 55.60 2da3 s SER 78 Cb -0.29 -1.62 0.07 0.00 -1.71 0.00 0.00 66.02 62.48 2da3 s SER 78 CO 0.35 -0.25 0.78 -0.44 1.20 0.00 0.00 173.24 174.88 2da3 s SER 79 N 1.15 6.22 0.00 5.45 0.01 -1.26 -5.30 113.70 119.97 2da3 s SER 79 Ca -0.05 -0.99 0.10 0.00 1.31 0.00 0.00 55.95 56.32 2da3 s SER 79 Cb -0.20 -2.35 0.59 0.00 0.21 0.00 0.00 66.02 64.28 2da3 s SER 79 CO -0.04 -1.14 1.04 0.61 0.41 0.00 0.00 173.24 174.12