#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 -0.46 0.52 1.61 0.01 -1.26 -5.18 113.70 108.94 2da3 s SER 2 Ca 0.00 0.61 0.03 0.00 1.31 0.00 0.00 55.95 57.90 2da3 s SER 2 Cb 0.00 0.63 0.03 0.00 0.21 0.00 0.00 66.02 66.89 2da3 s SER 2 CO 0.00 -0.41 0.73 -0.55 0.41 0.00 0.00 173.24 173.41 2da3 s SER 3 N -0.76 5.36 0.01 2.44 0.15 -1.26 -5.13 113.70 114.51 2da3 s SER 3 Ca -0.08 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2da3 s SER 3 Cb -0.03 -0.79 -0.00 0.00 -1.71 0.00 0.00 66.02 63.48 2da3 s SER 3 CO 0.05 -1.06 0.01 0.61 1.20 0.00 0.00 173.24 174.05 2da3 n GLY 4 N -2.22 4.06 3.51 9.45 0.00 -1.26 -5.18 105.19 113.55 2da3 n GLY 4 Ca 0.08 -1.88 -0.17 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.09 -0.64 -0.21 1.61 0.15 -1.26 -5.08 113.70 107.18 2da3 s SER 5 Ca 0.01 0.65 -0.42 0.00 0.70 0.00 0.00 55.95 56.89 2da3 s SER 5 Cb 0.00 0.54 -0.20 0.00 -1.71 0.00 0.00 66.02 64.65 2da3 s SER 5 CO 0.01 -0.63 1.27 -1.54 1.20 0.00 0.00 173.24 173.54 2da3 n SER 6 N 0.80 0.50 0.00 5.45 3.41 -1.26 -0.67 113.62 121.86 2da3 n SER 6 Ca -0.19 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.57 2da3 n SER 6 Cb 0.58 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2da3 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2da3 n GLY 7 N 2.52 3.10 3.60 5.00 0.00 -1.26 -5.03 105.19 113.12 2da3 n GLY 7 Ca 0.24 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.46 1.63 -0.05 -0.02 0.00 0.16 -5.02 107.32 103.56 2da3 s GLY 8 Ca 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 44.72 44.19 2da3 s GLY 8 CO 0.00 1.87 0.11 -1.59 0.00 0.00 0.00 173.10 173.49 2da3 s THR 9 N 3.22 -0.03 0.00 0.90 2.01 -1.26 -4.43 115.64 116.05 2da3 s THR 9 Ca 0.35 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.44 2da3 s THR 9 Cb -0.13 -0.18 0.00 0.00 0.01 0.00 0.00 72.50 72.21 2da3 s THR 9 CO 0.16 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.74 2da3 n GLY 10 N 3.62 -0.39 0.00 4.40 0.00 -1.26 -5.17 105.19 106.39 2da3 n GLY 10 Ca -0.20 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 2.74 3.95 -0.02 0.00 -1.26 -5.18 105.19 105.41 2da3 n GLY 11 Ca 0.00 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 2da3 n GLY 11 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2da3 s GLU 12 N 1.00 2.70 0.06 1.61 4.04 -1.26 -5.14 118.70 121.71 2da3 s GLU 12 Ca 0.00 -1.37 -0.14 0.00 0.04 0.00 0.00 54.97 53.51 2da3 s GLU 12 Cb 0.00 -2.58 0.02 0.00 0.02 0.00 0.00 34.13 31.59 2da3 s GLU 12 CO 0.00 -0.21 0.31 -1.21 -1.84 0.00 0.00 175.26 172.30 2da3 s GLU 13 N -4.24 0.86 0.00 -4.83 2.02 -1.26 -5.02 118.70 106.23 2da3 s GLU 13 Ca 0.51 -0.59 0.09 0.00 0.02 0.00 0.00 54.97 55.00 2da3 s GLU 13 Cb -0.07 0.37 0.53 0.00 0.10 0.00 0.00 34.13 35.06 2da3 s GLU 13 CO 0.30 -0.29 0.98 -0.35 0.02 0.00 0.00 175.26 175.92 2da3 n PRO 14 N 0.36 0.49 -0.25 0.39 -0.04 -1.26 -4.07 135.00 130.62 2da3 n PRO 14 Ca -0.18 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.42 2da3 n PRO 14 Cb 0.61 -1.28 0.26 0.00 -0.04 0.00 0.00 33.50 33.05 2da3 n PRO 14 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2da3 n GLN 15 N -0.78 -0.05 -3.45 0.54 6.02 -1.26 -3.77 117.38 114.62 2da3 n GLN 15 Ca 0.07 1.07 -0.16 0.00 -0.01 0.00 0.00 57.00 57.96 2da3 n GLN 15 Cb 0.03 -1.75 -0.12 0.00 1.02 0.00 0.00 30.24 29.43 2da3 n GLN 15 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2da3 s ARG 16 N -5.52 0.24 -0.08 -1.09 3.52 -1.26 -5.13 118.95 109.64 2da3 s ARG 16 Ca -0.09 0.24 -0.03 0.00 -0.13 0.00 0.00 55.73 55.72 2da3 s ARG 16 Cb 0.22 -1.00 0.04 0.00 -1.56 0.00 0.00 34.95 32.65 2da3 s ARG 16 CO 0.57 -0.69 0.17 0.16 -0.81 0.00 0.00 175.30 174.69 2da3 s ASP 17 N 2.38 -0.06 -0.10 -2.12 -4.77 -1.25 -5.05 116.67 105.69 2da3 s ASP 17 Ca 0.08 0.35 -0.27 0.00 -3.30 0.00 0.00 52.55 49.42 2da3 s ASP 17 Cb -0.16 0.24 -0.27 0.00 -1.09 0.00 0.00 42.92 41.65 2da3 s ASP 17 CO -0.15 -0.16 0.85 0.50 0.70 0.00 0.00 175.17 176.90 2da3 h LYS 18 N 7.34 0.09 -5.51 2.11 3.11 -2.00 -3.44 116.57 118.28 2da3 h LYS 18 Ca -0.40 -0.15 -0.60 0.00 -2.81 0.00 0.00 60.65 56.70 2da3 h LYS 18 Cb 1.14 0.05 -0.11 0.00 -1.00 0.00 0.00 32.23 32.32 2da3 h LYS 18 CO 0.39 1.04 -0.12 0.50 -2.81 0.00 0.00 179.45 178.45 2da3 s ARG 19 N -2.44 4.20 0.49 1.90 3.52 -1.26 -5.07 118.95 120.28 2da3 s ARG 19 Ca -0.17 0.33 0.07 0.00 -0.13 0.00 0.00 55.73 55.82 2da3 s ARG 19 Cb -0.01 -3.54 0.01 0.00 -1.56 0.00 0.00 34.95 29.85 2da3 s ARG 19 CO 0.73 -0.07 0.40 -0.51 -0.81 0.00 0.00 175.30 175.04 2da3 s LEU 20 N 1.40 3.01 -0.36 -0.88 1.02 -1.26 -5.04 118.68 116.58 2da3 s LEU 20 Ca 0.22 -1.03 -0.28 0.00 0.02 0.00 0.00 54.13 53.07 2da3 s LEU 20 Cb -0.15 -1.55 -0.04 0.00 0.02 0.00 0.00 46.19 44.47 2da3 s LEU 20 CO 0.09 -0.91 2.06 -0.13 0.02 0.00 0.00 176.35 177.48 2da3 s ARG 21 N -4.22 2.95 0.13 1.70 3.00 -1.26 -4.87 118.95 116.38 2da3 s ARG 21 Ca 0.42 1.52 -0.32 0.00 0.00 0.00 0.00 55.73 57.35 2da3 s ARG 21 Cb -0.02 -4.35 -0.10 0.00 0.00 0.00 0.00 34.95 30.48 2da3 s ARG 21 CO 0.25 -2.31 1.53 1.79 0.00 0.00 0.00 175.30 176.56 2da3 h THR 22 N 7.10 0.00 -2.61 0.02 1.35 -2.02 -3.42 112.91 113.33 2da3 h THR 22 Ca -0.33 0.00 -0.31 0.00 -0.55 0.00 0.00 66.41 65.22 2da3 h THR 22 Cb 1.21 0.00 0.18 0.00 -1.73 0.00 0.00 68.15 67.81 2da3 h THR 22 CO 1.05 0.00 -0.15 0.35 -0.25 0.00 0.00 175.52 176.52 2da3 n THR 23 N -5.28 0.00 -4.36 6.82 -2.24 -1.26 -4.93 114.28 103.04 2da3 n THR 23 Ca -0.03 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.50 2da3 n THR 23 Cb 0.32 -0.83 -0.10 0.00 -2.10 0.00 0.00 70.33 67.62 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 -1.97 2.89 0.17 2.28 1.01 -1.26 -4.98 121.20 119.34 2da3 s ILE 24 Ca 0.56 -1.92 0.06 0.00 0.00 0.00 0.00 60.65 59.35 2da3 s ILE 24 Cb -0.10 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 2da3 s ILE 24 CO 0.47 -0.20 0.07 0.42 0.00 0.00 0.00 174.94 175.70 2da3 s THR 25 N -1.93 4.11 -0.77 2.92 -4.23 -1.26 -5.01 115.64 109.47 2da3 s THR 25 Ca 0.26 -1.25 0.18 0.00 -1.18 0.00 0.00 61.69 59.70 2da3 s THR 25 Cb -0.08 -3.08 0.17 0.00 1.34 0.00 0.00 72.50 70.85 2da3 s THR 25 CO 0.14 -0.11 1.56 -0.81 -0.54 0.00 0.00 174.62 174.87 2da3 n PRO 26 N -0.24 0.08 0.01 3.99 -0.04 -1.26 -2.03 135.00 135.51 2da3 n PRO 26 Ca -0.09 0.33 0.11 0.00 -0.04 0.00 0.00 63.50 63.81 2da3 n PRO 26 Cb 0.55 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.82 0.15 -0.10 0.54 1.02 -1.26 -4.36 120.64 114.81 2da3 n GLU 27 Ca 0.03 -0.02 -0.22 0.00 -0.02 0.00 0.00 57.16 56.93 2da3 n GLU 27 Cb 0.19 -1.53 -0.12 0.00 -0.02 0.00 0.00 31.44 29.97 2da3 n GLU 27 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2da3 n GLN 28 N -1.71 0.65 -0.21 3.49 6.02 -0.86 -4.52 117.38 120.24 2da3 n GLN 28 Ca 0.03 0.23 -0.09 0.00 -0.01 0.00 0.00 57.00 57.16 2da3 n GLN 28 Cb 0.39 -1.57 -0.04 0.00 1.02 0.00 0.00 30.24 30.04 2da3 n GLN 28 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2da3 h LEU 29 N -0.29 -1.52 -0.70 1.08 3.38 -1.61 -1.34 115.31 114.31 2da3 h LEU 29 Ca -0.56 0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.74 2da3 h LEU 29 Cb 1.82 0.69 -0.10 0.00 0.09 0.00 0.00 40.66 43.16 2da3 h LEU 29 CO -0.14 -0.34 -0.35 -0.62 0.09 0.00 0.00 178.44 177.08 2da3 n GLU 30 N -5.40 -0.25 -0.32 1.13 1.02 -1.26 0.22 120.64 115.78 2da3 n GLU 30 Ca 0.02 1.06 0.03 0.00 -0.02 0.00 0.00 57.16 58.25 2da3 n GLU 30 Cb 0.35 -1.57 0.18 0.00 -0.02 0.00 0.00 31.44 30.38 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 0.95 -0.10 -3.67 2.04 -1.50 0.36 117.51 115.59 2da3 h ILE 31 Ca 0.17 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2da3 h ILE 31 Cb 0.34 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 2da3 h ILE 31 CO -0.67 0.16 0.02 -0.07 0.00 0.00 0.00 178.15 177.60 2da3 h LEU 32 N 0.89 0.16 -0.34 1.44 3.38 0.29 -2.05 115.31 119.08 2da3 h LEU 32 Ca 0.42 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2da3 h LEU 32 Cb 0.34 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2da3 h LEU 32 CO -0.23 0.35 0.21 1.88 0.09 0.00 0.00 178.44 180.73 2da3 h TYR 33 N -0.05 0.39 -0.88 1.13 0.05 0.12 0.30 116.97 118.03 2da3 h TYR 33 Ca 0.03 0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.88 2da3 h TYR 33 Cb 0.26 -0.13 -0.05 0.00 1.01 0.00 0.00 36.73 37.82 2da3 h TYR 33 CO 0.01 0.23 0.57 1.96 -1.05 0.00 0.00 178.16 179.88 2da3 h GLN 34 N 0.42 0.99 0.00 4.88 1.08 -0.89 0.21 115.11 121.80 2da3 h GLN 34 Ca 0.13 -0.06 -0.15 0.00 -1.45 0.00 0.00 58.65 57.12 2da3 h GLN 34 Cb -0.01 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.17 2da3 h GLN 34 CO -0.05 0.66 -0.71 0.87 -0.95 0.00 0.00 178.83 178.64 2da3 h LYS 35 N 1.02 0.00 -0.00 1.46 1.79 -0.78 -3.10 116.57 116.96 2da3 h LYS 35 Ca 0.37 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.80 2da3 h LYS 35 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2da3 h LYS 35 CO -0.13 0.71 -0.14 -0.92 -1.08 0.00 0.00 179.45 177.89 2da3 h TYR 36 N 0.00 0.15 -0.98 -1.35 5.03 0.29 0.16 116.97 120.27 2da3 h TYR 36 Ca -0.01 -0.08 0.17 0.00 2.58 0.00 0.00 58.73 61.39 2da3 h TYR 36 Cb 1.26 -0.02 -0.09 0.00 1.55 0.00 0.00 36.73 39.43 2da3 h TYR 36 CO 0.00 0.86 0.61 -0.07 -1.32 0.00 0.00 178.16 178.24 2da3 h LEU 37 N -0.60 0.76 0.03 2.82 3.38 -0.71 -0.98 115.31 120.02 2da3 h LEU 37 Ca -0.02 0.07 -0.28 0.00 0.09 0.00 0.00 57.88 57.75 2da3 h LEU 37 Cb 0.90 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2da3 h LEU 37 CO 0.03 0.32 -1.51 0.17 0.09 0.00 0.00 178.44 177.54 2da3 h LEU 38 N 0.77 0.10 -6.45 1.67 8.10 -1.59 -3.45 115.31 114.46 2da3 h LEU 38 Ca 0.54 -0.16 -0.18 0.00 0.11 0.00 0.00 57.88 58.18 2da3 h LEU 38 Cb 0.83 -0.03 -0.30 0.00 -0.44 0.00 0.00 40.66 40.71 2da3 h LEU 38 CO -0.31 1.14 -0.51 -0.62 -4.11 0.00 0.00 178.44 174.02 2da3 s ASP 39 N -6.47 0.47 0.00 0.17 -1.08 0.56 -4.99 116.67 105.32 2da3 s ASP 39 Ca -0.05 -0.02 0.15 0.00 -0.52 0.00 0.00 52.55 52.11 2da3 s ASP 39 Cb 0.08 1.02 0.35 0.00 -1.46 0.00 0.00 42.92 42.91 2da3 s ASP 39 CO 0.83 -0.32 1.27 -1.54 0.52 0.00 0.00 175.17 175.92 2da3 n SER 40 N 5.35 3.05 -2.52 -0.34 3.41 -0.86 -3.56 113.62 118.16 2da3 n SER 40 Ca -0.03 -1.92 -0.16 0.00 -0.26 0.00 0.00 58.87 56.51 2da3 n SER 40 Cb 0.50 -0.25 0.02 0.00 -0.26 0.00 0.00 64.21 64.22 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 0.91 3.13 -4.77 4.04 5.03 -1.26 -4.96 115.26 117.38 2da3 n ASN 41 Ca 0.14 -3.08 -0.31 0.00 0.87 0.00 0.00 54.58 52.20 2da3 n ASN 41 Cb 0.47 -0.46 0.09 0.00 -1.02 0.00 0.00 39.78 38.85 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 -3.47 2.31 0.20 3.52 0.04 -1.26 -5.06 135.00 131.28 2da3 s PRO 42 Ca 0.38 1.19 0.04 0.00 0.04 0.00 0.00 61.00 62.66 2da3 s PRO 42 Cb 0.41 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 33.01 2da3 s PRO 42 CO -0.05 -1.61 0.29 -0.08 0.04 0.00 0.00 177.00 175.60 2da3 s THR 43 N -2.84 5.12 0.26 1.26 -1.32 -1.26 -4.87 115.64 112.00 2da3 s THR 43 Ca 0.62 -0.93 0.11 0.00 -1.21 0.00 0.00 61.69 60.27 2da3 s THR 43 Cb -0.17 -3.72 0.28 0.00 -1.51 0.00 0.00 72.50 67.38 2da3 s THR 43 CO 0.54 -0.23 1.19 0.54 -2.21 0.00 0.00 174.62 174.45 2da3 n ARG 44 N -0.98 -0.05 0.07 7.08 5.12 -1.26 0.12 116.66 126.76 2da3 n ARG 44 Ca -0.08 1.07 -0.12 0.00 -1.93 0.00 0.00 57.85 56.79 2da3 n ARG 44 Cb 0.56 -1.84 -0.05 0.00 -1.16 0.00 0.00 32.46 29.97 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 -0.39 0.69 5.56 1.63 -2.01 -2.51 116.57 119.55 2da3 h LYS 45 Ca 0.58 0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 60.37 2da3 h LYS 45 Cb 1.43 0.09 0.01 0.00 -0.60 0.00 0.00 32.23 33.16 2da3 h LYS 45 CO -0.62 -0.26 -0.33 0.52 -3.45 0.00 0.00 179.45 175.31 2da3 h MET 46 N -0.40 -0.90 -1.77 1.90 2.86 0.53 -2.30 114.93 114.85 2da3 h MET 46 Ca 0.05 0.06 0.51 0.00 -2.06 0.00 0.00 59.70 58.27 2da3 h MET 46 Cb 0.47 0.20 -0.07 0.00 0.06 0.00 0.00 31.60 32.26 2da3 h MET 46 CO -0.20 -0.59 1.35 -0.07 1.06 0.00 0.00 176.91 178.46 2da3 h LEU 47 N -0.95 0.00 -0.01 1.22 3.38 -1.23 0.94 115.31 118.66 2da3 h LEU 47 Ca -0.09 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2da3 h LEU 47 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2da3 h LEU 47 CO 0.16 0.00 -0.15 -0.78 0.09 0.00 0.00 178.44 177.76 2da3 h ASP 48 N 0.00 0.15 0.66 -0.43 1.82 -0.96 -2.75 116.42 114.91 2da3 h ASP 48 Ca 0.84 -0.72 -0.03 0.00 -0.39 0.00 0.00 57.03 56.73 2da3 h ASP 48 Cb 3.54 -0.05 0.01 0.00 0.68 0.00 0.00 39.33 43.51 2da3 h ASP 48 CO -0.01 0.85 -0.32 -0.74 -1.61 0.00 0.00 179.24 177.41 2da3 h HIS 49 N -0.53 -0.83 -0.59 0.28 2.76 0.10 -1.29 115.15 115.06 2da3 h HIS 49 Ca -0.01 -0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.26 2da3 h HIS 49 Cb 0.86 0.27 -0.11 0.00 1.55 0.00 0.00 27.41 29.98 2da3 h HIS 49 CO 0.17 -0.48 -0.09 0.82 -1.30 0.00 0.00 177.93 177.04 2da3 h ILE 50 N -1.02 0.45 0.00 6.26 2.04 -1.33 0.68 117.51 124.58 2da3 h ILE 50 Ca -0.09 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2da3 h ILE 50 Cb 0.72 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2da3 h ILE 50 CO 0.15 0.01 0.00 0.00 0.00 0.00 0.00 178.15 178.31 2da3 h ALA 51 N 1.57 1.00 0.06 1.87 0.00 -1.44 -0.35 119.26 121.97 2da3 h ALA 51 Ca 0.29 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.93 2da3 h ALA 51 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2da3 h ALA 51 CO -0.57 0.00 -1.35 1.25 0.00 0.00 0.00 179.25 178.58 2da3 h HIS 52 N 0.00 0.24 0.14 0.00 -0.00 0.15 -2.41 115.15 113.28 2da3 h HIS 52 Ca 0.00 -0.18 -0.30 0.00 -0.00 0.00 0.00 60.37 59.89 2da3 h HIS 52 Cb 0.29 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.69 2da3 h HIS 52 CO 0.00 1.19 -1.44 1.05 -0.00 0.00 0.00 177.93 178.72 2da3 h GLU 53 N 0.04 0.30 0.00 5.26 4.11 -0.38 -3.31 114.58 120.61 2da3 h GLU 53 Ca -0.16 -0.52 -0.11 0.00 0.07 0.00 0.00 59.36 58.65 2da3 h GLU 53 Cb 1.93 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 31.36 2da3 h GLU 53 CO 0.14 1.20 -0.51 0.28 0.07 0.00 0.00 179.01 180.19 2da3 h VAL 54 N 0.08 0.96 -1.46 -1.06 2.07 -1.21 -3.48 116.25 112.16 2da3 h VAL 54 Ca -0.21 -2.11 -0.07 0.00 0.82 0.00 0.00 66.70 65.13 2da3 h VAL 54 Cb 2.03 2.30 0.02 0.00 -1.52 0.00 0.00 31.29 34.11 2da3 h VAL 54 CO 0.19 0.50 -0.11 0.61 0.02 0.00 0.00 177.57 178.78 2da3 n GLY 55 N 0.89 0.54 3.22 2.17 0.00 -0.94 -4.92 105.19 106.15 2da3 n GLY 55 Ca 0.01 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.81 2.09 -0.26 0.99 2.96 -1.02 -4.92 118.68 116.71 2da3 s LEU 56 Ca 0.07 -0.42 -0.39 0.00 -0.22 0.00 0.00 54.13 53.18 2da3 s LEU 56 Cb -0.03 -1.00 -0.18 0.00 0.50 0.00 0.00 46.19 45.48 2da3 s LEU 56 CO 0.09 0.21 1.21 0.29 -1.32 0.00 0.00 176.35 176.84 2da3 n LYS 57 N 2.32 0.00 -0.24 1.98 5.02 -1.26 -4.66 118.16 121.32 2da3 n LYS 57 Ca -0.16 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.09 2da3 n LYS 57 Cb 0.53 -1.32 0.02 0.00 -0.02 0.00 0.00 35.03 34.24 2da3 n LYS 57 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2da3 h LYS 58 N 3.66 -0.12 -0.23 1.97 3.11 -1.91 0.15 116.57 123.20 2da3 h LYS 58 Ca -0.41 0.01 0.06 0.00 -2.81 0.00 0.00 60.65 57.49 2da3 h LYS 58 Cb 1.23 0.03 -0.07 0.00 -1.00 0.00 0.00 32.23 32.42 2da3 h LYS 58 CO 0.74 -0.08 -0.20 -0.09 -2.81 0.00 0.00 179.45 177.01 2da3 h ARG 59 N -0.12 -0.19 -0.79 1.90 9.65 -1.95 0.55 114.38 123.42 2da3 h ARG 59 Ca 0.26 0.01 0.12 0.00 -1.10 0.00 0.00 59.98 59.27 2da3 h ARG 59 Cb 0.56 0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 29.13 2da3 h ARG 59 CO -0.74 -0.13 0.52 0.28 2.80 0.00 0.00 179.97 182.70 2da3 h VAL 60 N -0.20 0.89 0.04 0.20 2.07 -1.40 0.14 116.25 117.98 2da3 h VAL 60 Ca 0.13 -0.22 -0.23 0.00 0.82 0.00 0.00 66.70 67.21 2da3 h VAL 60 Cb 0.40 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2da3 h VAL 60 CO -0.35 0.12 -1.02 0.58 0.02 0.00 0.00 177.57 176.91 2da3 h VAL 61 N 0.63 1.52 0.19 2.57 2.07 0.61 -2.40 116.25 121.44 2da3 h VAL 61 Ca 0.38 -2.87 -0.01 0.00 0.82 0.00 0.00 66.70 65.02 2da3 h VAL 61 Cb 0.60 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 2da3 h VAL 61 CO -0.15 0.84 -0.09 -0.61 0.02 0.00 0.00 177.57 177.58 2da3 h GLN 62 N 0.09 -0.25 -0.67 1.57 4.15 0.15 -3.25 115.11 116.90 2da3 h GLN 62 Ca -0.07 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 2da3 h GLN 62 Cb 1.70 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 29.42 2da3 h GLN 62 CO 0.16 0.14 0.35 0.28 -1.93 0.00 0.00 178.83 177.83 2da3 h VAL 63 N -0.76 1.22 -0.98 2.39 2.07 -0.92 -2.16 116.25 117.11 2da3 h VAL 63 Ca -0.03 -0.57 0.28 0.00 0.82 0.00 0.00 66.70 67.21 2da3 h VAL 63 Cb 0.51 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 2da3 h VAL 63 CO 0.04 0.24 0.84 -0.25 0.02 0.00 0.00 177.57 178.47 2da3 h TRP 64 N 0.92 0.00 0.00 1.57 7.01 -1.49 0.17 115.95 124.13 2da3 h TRP 64 Ca 0.23 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.21 2da3 h TRP 64 Cb 0.07 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.13 2da3 h TRP 64 CO -0.00 0.00 -0.11 0.74 -2.79 0.00 0.00 178.44 176.27 2da3 h PHE 65 N 0.00 0.00 -0.06 2.65 -1.00 -1.43 -2.78 116.94 114.32 2da3 h PHE 65 Ca 0.46 0.00 0.02 0.00 2.81 0.00 0.00 57.97 61.26 2da3 h PHE 65 Cb 2.14 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 41.70 2da3 h PHE 65 CO 0.00 0.90 0.04 -0.56 -1.61 0.00 0.00 178.31 177.09 2da3 h GLN 66 N -1.00 0.00 0.01 1.51 3.07 -0.88 -1.98 115.11 115.84 2da3 h GLN 66 Ca -0.03 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.52 2da3 h GLN 66 Cb 0.89 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.47 2da3 h GLN 66 CO -0.02 0.00 -0.75 -0.91 0.09 0.00 0.00 178.83 177.24 2da3 h ASN 67 N 0.00 0.64 0.23 0.06 2.35 -0.87 -3.13 115.58 114.87 2da3 h ASN 67 Ca 0.03 -0.77 -0.01 0.00 -0.55 0.00 0.00 56.30 55.01 2da3 h ASN 67 Cb 0.11 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 2da3 h ASN 67 CO -0.00 1.33 -0.16 0.74 -1.65 0.00 0.00 177.43 177.69 2da3 h THR 68 N 0.03 0.67 -0.63 2.81 2.02 -1.10 -2.15 112.91 114.56 2da3 h THR 68 Ca -0.10 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.21 2da3 h THR 68 Cb 1.45 0.67 -0.09 0.00 -1.74 0.00 0.00 68.15 68.44 2da3 h THR 68 CO 0.15 0.00 0.12 0.03 0.37 0.00 0.00 175.52 176.19 2da3 h ARG 69 N -0.38 0.24 -0.89 6.66 3.08 -1.50 0.17 114.38 121.75 2da3 h ARG 69 Ca -0.02 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.07 2da3 h ARG 69 Cb 0.33 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 2da3 h ARG 69 CO 0.01 0.16 0.57 0.00 -1.07 0.00 0.00 179.97 179.63 2da3 h ALA 70 N 1.51 1.22 -0.15 0.04 0.00 -1.44 -0.63 119.26 119.81 2da3 h ALA 70 Ca 0.33 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 2da3 h ALA 70 Cb 0.52 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2da3 h ALA 70 CO -0.44 0.35 -0.12 0.00 0.00 0.00 0.00 179.25 179.04 2da3 h ARG 71 N 1.05 0.35 -0.69 0.00 3.08 -0.38 -1.37 114.38 116.42 2da3 h ARG 71 Ca 0.38 -0.18 0.06 0.00 0.07 0.00 0.00 59.98 60.31 2da3 h ARG 71 Cb 0.13 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 2da3 h ARG 71 CO -0.16 0.71 0.40 0.93 -1.07 0.00 0.00 179.97 180.78 2da3 h GLU 72 N 0.00 0.72 -0.22 0.04 4.39 -0.37 -1.92 114.58 117.22 2da3 h GLU 72 Ca 0.03 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 2da3 h GLU 72 Cb 0.63 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2da3 h GLU 72 CO 0.03 0.47 -0.41 0.07 -1.16 0.00 0.00 179.01 178.01 2da3 h ARG 73 N 0.74 0.53 -6.53 2.33 0.11 -1.11 -3.42 114.38 107.04 2da3 h ARG 73 Ca 0.30 -0.27 -0.60 0.00 0.10 0.00 0.00 59.98 59.51 2da3 h ARG 73 Cb 0.16 0.01 0.08 0.00 1.11 0.00 0.00 29.97 31.33 2da3 h ARG 73 CO -0.17 0.85 0.54 1.17 0.10 0.00 0.00 179.97 182.46 2da3 n LYS 74 N -4.02 1.83 -4.03 0.08 4.81 -0.52 -1.89 118.16 114.42 2da3 n LYS 74 Ca -0.02 0.65 -0.27 0.00 -0.87 0.00 0.00 58.31 57.81 2da3 n LYS 74 Cb 0.52 -2.27 -0.04 0.00 0.02 0.00 0.00 35.03 33.26 2da3 n LYS 74 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2da3 n SER 75 N 2.13 -0.11 0.00 3.14 3.41 -1.26 -4.79 113.62 116.14 2da3 n SER 75 Ca 0.12 -1.07 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 2da3 n SER 75 Cb 0.30 -2.73 0.00 0.00 -0.26 0.00 0.00 64.21 61.51 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 -2.11 1.05 0.00 5.00 0.00 -0.79 -4.95 105.19 103.38 2da3 n GLY 76 Ca -0.31 0.27 0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.05 1.61 -0.04 -1.21 -3.12 135.00 132.67 2da3 n PRO 77 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2da3 n PRO 77 Cb 0.00 -1.45 -0.12 0.00 -0.04 0.00 0.00 33.50 31.89 2da3 n PRO 77 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2da3 h SER 78 N 0.00 -0.01 -0.83 3.54 4.64 -1.92 -3.31 113.55 115.66 2da3 h SER 78 Ca 0.00 -0.83 0.21 0.00 -0.47 0.00 0.00 61.79 60.69 2da3 h SER 78 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.95 2da3 h SER 78 CO 0.00 0.84 0.13 0.77 -0.87 0.00 0.00 176.83 177.70 2da3 h SER 79 N -0.87 -0.16 0.00 4.97 4.64 -1.86 -3.52 113.55 116.74 2da3 h SER 79 Ca -0.00 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2da3 h SER 79 Cb 0.84 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2da3 h SER 79 CO 0.00 -0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.40