#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 5.23 0.10 1.61 1.04 -1.26 -5.14 113.70 115.29 2da3 s SER 2 Ca 0.00 -0.35 -0.02 0.00 0.48 0.00 0.00 55.95 56.06 2da3 s SER 2 Cb 0.00 -1.25 -0.03 0.00 0.10 0.00 0.00 66.02 64.84 2da3 s SER 2 CO 0.00 -0.01 0.05 -0.55 0.98 0.00 0.00 173.24 173.71 2da3 s SER 3 N -3.69 0.34 -0.54 7.02 0.15 -1.26 -5.12 113.70 110.60 2da3 s SER 3 Ca 0.32 -1.07 -0.09 0.00 0.70 0.00 0.00 55.95 55.81 2da3 s SER 3 Cb -0.08 0.28 0.14 0.00 -1.71 0.00 0.00 66.02 64.65 2da3 s SER 3 CO 0.23 -0.70 0.41 -0.83 1.20 0.00 0.00 173.24 173.55 2da3 s GLY 4 N -2.98 2.18 -0.09 9.45 0.00 -1.26 -5.05 107.32 109.57 2da3 s GLY 4 Ca 0.16 -2.74 0.03 0.00 0.00 0.00 0.00 44.72 42.17 2da3 s GLY 4 CO -0.03 1.13 -0.19 -1.35 0.00 0.00 0.00 173.10 172.65 2da3 s SER 5 N 2.29 2.53 -0.36 1.64 1.04 -1.26 -5.11 113.70 114.48 2da3 s SER 5 Ca 0.09 -0.45 -0.13 0.00 0.48 0.00 0.00 55.95 55.94 2da3 s SER 5 Cb -0.23 -1.16 -0.00 0.00 0.10 0.00 0.00 66.02 64.72 2da3 s SER 5 CO -0.02 0.10 0.25 -0.55 0.98 0.00 0.00 173.24 174.00 2da3 s SER 6 N 0.50 6.01 0.00 7.02 0.15 -1.26 -4.99 113.70 121.13 2da3 s SER 6 Ca -0.17 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 55.87 2da3 s SER 6 Cb -0.17 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2da3 s SER 6 CO 0.06 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.80 2da3 n GLY 7 N 5.10 4.23 0.00 9.45 0.00 -1.26 -5.15 105.19 117.56 2da3 n GLY 7 Ca -0.12 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.16 -1.27 3.25 -0.02 0.00 -1.26 -5.14 105.19 99.59 2da3 n GLY 8 Ca 0.00 0.48 -0.13 0.00 0.00 0.00 0.00 46.02 46.37 2da3 n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2da3 s THR 9 N 0.00 0.07 -0.17 2.61 2.01 -1.26 -5.04 115.64 113.85 2da3 s THR 9 Ca 0.00 -0.55 -0.02 0.00 0.31 0.00 0.00 61.69 61.44 2da3 s THR 9 Cb 0.00 -0.76 0.05 0.00 0.01 0.00 0.00 72.50 71.79 2da3 s THR 9 CO 0.00 -0.30 2.35 0.61 -0.69 0.00 0.00 174.62 176.59 2da3 n GLY 10 N 0.96 3.40 3.39 4.40 0.00 -1.26 -4.86 105.19 111.22 2da3 n GLY 10 Ca -0.20 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 2da3 n GLY 10 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2da3 s GLY 11 N 1.12 1.61 0.02 -0.02 0.00 -1.26 -5.11 107.32 103.69 2da3 s GLY 11 Ca 0.29 -0.95 -0.01 0.00 0.00 0.00 0.00 44.72 44.06 2da3 s GLY 11 CO -0.03 0.02 0.16 -0.54 0.00 0.00 0.00 173.10 172.71 2da3 s GLU 12 N 0.66 3.31 0.08 2.90 0.41 -1.26 -5.12 118.70 119.68 2da3 s GLU 12 Ca -0.04 -0.43 0.02 0.00 -0.41 0.00 0.00 54.97 54.11 2da3 s GLU 12 Cb -0.15 -2.99 -0.03 0.00 -1.78 0.00 0.00 34.13 29.17 2da3 s GLU 12 CO 0.02 0.64 -0.08 -1.21 -0.49 0.00 0.00 175.26 174.14 2da3 s GLU 13 N -2.15 0.75 0.17 1.61 2.02 -1.26 -5.13 118.70 114.71 2da3 s GLU 13 Ca 0.29 -1.11 -0.30 0.00 0.02 0.00 0.00 54.97 53.87 2da3 s GLU 13 Cb -0.13 -0.33 -0.08 0.00 0.10 0.00 0.00 34.13 33.69 2da3 s GLU 13 CO 0.21 0.03 1.32 -1.25 0.02 0.00 0.00 175.26 175.60 2da3 s PRO 14 N -2.83 4.38 -0.01 0.39 0.04 -1.26 -4.95 135.00 130.75 2da3 s PRO 14 Ca 0.03 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 62.92 2da3 s PRO 14 Cb -0.02 -3.21 -0.32 0.00 0.04 0.00 0.00 34.50 30.98 2da3 s PRO 14 CO -0.02 -0.29 0.95 0.37 0.04 0.00 0.00 177.00 178.06 2da3 h GLN 15 N 5.76 0.41 -7.05 4.56 -0.00 -2.03 -3.47 115.11 113.29 2da3 h GLN 15 Ca -0.44 -0.66 -0.60 0.00 -0.00 0.00 0.00 58.65 56.94 2da3 h GLN 15 Cb 1.21 0.24 -0.35 0.00 0.00 0.00 0.00 27.48 28.58 2da3 h GLN 15 CO 0.79 1.31 -0.88 2.89 0.00 0.00 0.00 178.83 182.94 2da3 n ARG 16 N -3.98 -0.75 -1.18 1.69 1.85 -1.26 -4.60 116.66 108.43 2da3 n ARG 16 Ca -0.15 0.13 -0.51 0.00 -1.00 0.00 0.00 57.85 56.32 2da3 n ARG 16 Cb 0.91 -4.39 -0.09 0.00 -1.05 0.00 0.00 32.46 27.84 2da3 n ARG 16 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2da3 n ASP 17 N -2.40 0.76 -2.00 2.89 5.75 -1.26 -4.77 116.55 115.53 2da3 n ASP 17 Ca 0.06 0.72 -0.21 0.00 -0.01 0.00 0.00 54.79 55.35 2da3 n ASP 17 Cb 0.47 -0.72 0.05 0.00 -1.03 0.00 0.00 41.12 39.88 2da3 n ASP 17 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2da3 n LYS 18 N 4.91 2.00 -3.63 0.11 5.02 -1.26 -4.84 118.16 120.47 2da3 n LYS 18 Ca 0.37 -1.94 -0.10 0.00 -2.02 0.00 0.00 58.31 54.61 2da3 n LYS 18 Cb -0.04 -1.76 -0.07 0.00 -0.02 0.00 0.00 35.03 33.14 2da3 n LYS 18 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2da3 s ARG 19 N -2.25 0.57 0.07 1.97 1.70 -1.26 -5.18 118.95 114.57 2da3 s ARG 19 Ca 0.38 0.63 -0.15 0.00 -0.47 0.00 0.00 55.73 56.12 2da3 s ARG 19 Cb 0.30 0.28 0.03 0.00 -0.57 0.00 0.00 34.95 34.98 2da3 s ARG 19 CO -0.01 -0.08 0.36 -0.51 -1.08 0.00 0.00 175.30 173.98 2da3 s LEU 20 N 0.16 0.62 0.13 -1.89 1.43 -1.26 -5.06 118.68 112.82 2da3 s LEU 20 Ca 0.02 -0.21 0.10 0.00 -1.03 0.00 0.00 54.13 53.01 2da3 s LEU 20 Cb -0.05 1.61 -0.04 0.00 0.03 0.00 0.00 46.19 47.74 2da3 s LEU 20 CO -0.05 -0.72 -0.20 -0.60 0.23 0.00 0.00 176.35 175.02 2da3 s ARG 21 N -3.05 1.70 -0.01 1.70 6.06 -1.26 -5.05 118.95 119.04 2da3 s ARG 21 Ca -0.02 -1.26 -0.20 0.00 -2.50 0.00 0.00 55.73 51.76 2da3 s ARG 21 Cb 0.01 -2.05 -0.26 0.00 0.06 0.00 0.00 34.95 32.71 2da3 s ARG 21 CO -0.07 0.46 1.04 1.79 -2.50 0.00 0.00 175.30 176.03 2da3 h THR 22 N 3.52 1.44 -3.65 4.11 1.35 -2.02 -3.40 112.91 114.26 2da3 h THR 22 Ca -0.50 -2.23 -0.42 0.00 -0.55 0.00 0.00 66.41 62.71 2da3 h THR 22 Cb 1.18 2.77 0.19 0.00 -1.73 0.00 0.00 68.15 70.55 2da3 h THR 22 CO 0.45 0.65 0.24 0.42 -0.25 0.00 0.00 175.52 177.03 2da3 s THR 23 N -2.98 1.72 0.20 6.82 -4.23 -1.26 -4.92 115.64 110.98 2da3 s THR 23 Ca -0.13 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.48 2da3 s THR 23 Cb 0.03 -2.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 2da3 s THR 23 CO 0.83 0.00 -0.17 -0.63 -0.54 0.00 0.00 174.62 174.12 2da3 s ILE 24 N -3.36 2.76 0.16 2.99 1.01 -1.26 -4.99 121.20 118.51 2da3 s ILE 24 Ca 0.73 -1.89 0.05 0.00 0.00 0.00 0.00 60.65 59.53 2da3 s ILE 24 Cb -0.06 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 2da3 s ILE 24 CO 0.55 -0.14 0.16 0.42 0.00 0.00 0.00 174.94 175.93 2da3 s THR 25 N -1.77 4.63 -0.56 2.92 -4.23 -1.26 -5.00 115.64 110.36 2da3 s THR 25 Ca 0.24 -1.01 0.22 0.00 -1.18 0.00 0.00 61.69 59.95 2da3 s THR 25 Cb -0.08 -3.36 0.23 0.00 1.34 0.00 0.00 72.50 70.62 2da3 s THR 25 CO 0.13 -0.10 1.67 -0.81 -0.54 0.00 0.00 174.62 174.97 2da3 n PRO 26 N -0.37 0.16 0.01 3.99 -0.04 -1.26 -1.87 135.00 135.62 2da3 n PRO 26 Ca -0.08 0.40 0.05 0.00 -0.04 0.00 0.00 63.50 63.83 2da3 n PRO 26 Cb 0.55 -1.81 -0.12 0.00 -0.04 0.00 0.00 33.50 32.07 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 -2.12 0.65 0.06 0.54 1.02 -1.26 -4.32 120.64 115.20 2da3 n GLU 27 Ca 0.02 -0.02 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 2da3 n GLU 27 Cb 0.22 -1.64 -0.15 0.00 -0.02 0.00 0.00 31.44 29.85 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 0.38 -0.47 3.49 4.20 -1.83 -3.37 115.11 117.51 2da3 h GLN 28 Ca -0.12 -0.65 0.09 0.00 0.06 0.00 0.00 58.65 58.03 2da3 h GLN 28 Cb 1.32 0.24 -0.10 0.00 0.30 0.00 0.00 27.48 29.24 2da3 h GLN 28 CO 0.01 1.31 -0.34 -0.07 -0.67 0.00 0.00 178.83 179.08 2da3 h LEU 29 N 0.06 -1.13 -0.71 1.46 3.38 -1.57 -1.82 115.31 114.99 2da3 h LEU 29 Ca -0.34 0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.92 2da3 h LEU 29 Cb 2.06 0.54 -0.10 0.00 0.09 0.00 0.00 40.66 43.25 2da3 h LEU 29 CO 0.16 -0.32 -0.36 -0.62 0.09 0.00 0.00 178.44 177.40 2da3 n GLU 30 N -5.42 -0.25 -0.33 1.13 1.02 -1.26 0.22 120.64 115.75 2da3 n GLU 30 Ca 0.02 1.07 0.03 0.00 -0.02 0.00 0.00 57.16 58.26 2da3 n GLU 30 Cb 0.34 -1.59 0.17 0.00 -0.02 0.00 0.00 31.44 30.35 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 0.99 -0.19 -3.67 2.04 -1.55 0.04 117.51 115.17 2da3 h ILE 31 Ca 0.17 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 2da3 h ILE 31 Cb 0.35 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 2da3 h ILE 31 CO -0.68 0.18 0.05 -0.07 0.00 0.00 0.00 178.15 177.63 2da3 h LEU 32 N 0.97 0.29 -0.28 1.44 3.38 0.28 -2.15 115.31 119.24 2da3 h LEU 32 Ca 0.42 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 2da3 h LEU 32 Cb 0.28 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2da3 h LEU 32 CO -0.21 0.43 0.17 1.88 0.09 0.00 0.00 178.44 180.81 2da3 h TYR 33 N 0.13 0.36 -0.92 1.13 0.05 0.13 0.14 116.97 117.99 2da3 h TYR 33 Ca 0.06 0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.92 2da3 h TYR 33 Cb 0.25 -0.12 -0.06 0.00 1.01 0.00 0.00 36.73 37.81 2da3 h TYR 33 CO 0.01 0.26 0.60 1.96 -1.05 0.00 0.00 178.16 179.93 2da3 h GLN 34 N 0.36 0.97 0.00 4.88 1.08 -0.94 0.19 115.11 121.65 2da3 h GLN 34 Ca 0.10 -0.06 -0.18 0.00 -1.45 0.00 0.00 58.65 57.06 2da3 h GLN 34 Cb -0.01 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.18 2da3 h GLN 34 CO -0.02 0.64 -0.85 0.87 -0.95 0.00 0.00 178.83 178.53 2da3 h LYS 35 N 1.00 0.02 0.03 1.46 1.79 -0.91 -3.14 116.57 116.82 2da3 h LYS 35 Ca 0.41 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.86 2da3 h LYS 35 Cb 0.28 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2da3 h LYS 35 CO -0.17 0.85 -0.02 -0.92 -1.08 0.00 0.00 179.45 178.12 2da3 h TYR 36 N 0.01 -0.04 -1.00 -1.35 3.20 0.58 0.33 116.97 118.70 2da3 h TYR 36 Ca -0.01 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.01 2da3 h TYR 36 Cb 1.49 0.01 -0.09 0.00 1.54 0.00 0.00 36.73 39.68 2da3 h TYR 36 CO 0.00 0.53 0.62 -0.07 -1.64 0.00 0.00 178.16 177.60 2da3 h LEU 37 N -0.65 0.83 0.03 2.82 3.38 -0.79 -0.86 115.31 120.07 2da3 h LEU 37 Ca -0.00 0.07 -0.25 0.00 0.09 0.00 0.00 57.88 57.78 2da3 h LEU 37 Cb 0.59 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2da3 h LEU 37 CO 0.01 0.37 -1.32 0.17 0.09 0.00 0.00 178.44 177.76 2da3 h LEU 38 N 0.85 0.08 -6.93 1.67 8.10 -1.56 -3.43 115.31 114.09 2da3 h LEU 38 Ca 0.53 -0.11 -0.49 0.00 0.11 0.00 0.00 57.88 57.92 2da3 h LEU 38 Cb 0.73 -0.03 -0.40 0.00 -0.44 0.00 0.00 40.66 40.51 2da3 h LEU 38 CO -0.32 1.09 -0.76 -0.62 -4.11 0.00 0.00 178.44 173.73 2da3 s ASP 39 N -6.58 2.83 0.00 0.17 -1.08 0.12 -4.97 116.67 107.15 2da3 s ASP 39 Ca -0.03 -0.90 0.18 0.00 -0.52 0.00 0.00 52.55 51.29 2da3 s ASP 39 Cb 0.09 -0.27 -0.05 0.00 -1.46 0.00 0.00 42.92 41.23 2da3 s ASP 39 CO 0.83 -0.39 0.90 -1.20 0.52 0.00 0.00 175.17 175.83 2da3 n SER 40 N 5.27 1.56 -2.51 -0.34 7.64 -0.94 -3.78 113.62 120.51 2da3 n SER 40 Ca -0.06 -1.28 -0.17 0.00 1.01 0.00 0.00 58.87 58.37 2da3 n SER 40 Cb 0.46 0.59 0.02 0.00 -1.01 0.00 0.00 64.21 64.27 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 -0.39 3.22 -4.75 6.43 3.02 -1.26 -4.99 115.26 116.54 2da3 n ASN 41 Ca 0.07 -3.14 -0.31 0.00 -0.03 0.00 0.00 54.58 51.17 2da3 n ASN 41 Cb 0.36 -0.46 0.11 0.00 -0.61 0.00 0.00 39.78 39.18 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 -3.46 1.92 0.22 3.52 0.04 -1.26 -5.06 135.00 130.92 2da3 s PRO 42 Ca 0.39 1.05 0.05 0.00 0.04 0.00 0.00 61.00 62.52 2da3 s PRO 42 Cb 0.41 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 33.05 2da3 s PRO 42 CO -0.05 -1.84 0.32 -0.08 0.04 0.00 0.00 177.00 175.39 2da3 s THR 43 N -2.92 5.18 0.27 1.26 -1.32 -1.26 -4.89 115.64 111.96 2da3 s THR 43 Ca 0.62 -0.96 0.04 0.00 -1.21 0.00 0.00 61.69 60.18 2da3 s THR 43 Cb -0.17 -3.78 0.34 0.00 -1.51 0.00 0.00 72.50 67.38 2da3 s THR 43 CO 0.56 -0.28 1.31 -1.14 -2.21 0.00 0.00 174.62 172.86 2da3 n ARG 44 N -1.18 -0.06 -0.06 7.08 3.00 -1.26 0.82 116.66 125.00 2da3 n ARG 44 Ca -0.08 1.23 -0.08 0.00 -0.00 0.00 0.00 57.85 58.91 2da3 n ARG 44 Cb 0.56 -2.00 -0.02 0.00 0.00 0.00 0.00 32.46 31.01 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 -0.24 0.69 -0.14 1.63 -1.99 0.76 116.57 117.27 2da3 h LYS 45 Ca 0.54 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.33 2da3 h LYS 45 Cb 1.19 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 2da3 h LYS 45 CO -0.76 -0.16 -0.36 0.52 -3.45 0.00 0.00 179.45 175.24 2da3 h MET 46 N -0.25 -0.93 -1.05 1.90 2.86 0.05 -1.63 114.93 115.87 2da3 h MET 46 Ca 0.15 0.06 0.28 0.00 -2.06 0.00 0.00 59.70 58.13 2da3 h MET 46 Cb 0.48 0.21 -0.11 0.00 0.06 0.00 0.00 31.60 32.24 2da3 h MET 46 CO -0.42 -0.62 0.65 -0.07 1.06 0.00 0.00 176.91 177.51 2da3 h LEU 47 N -0.97 0.51 -0.01 1.22 3.38 -1.06 0.28 115.31 118.66 2da3 h LEU 47 Ca -0.09 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2da3 h LEU 47 Cb 0.76 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 2da3 h LEU 47 CO 0.14 0.04 -0.00 -0.78 0.09 0.00 0.00 178.44 177.93 2da3 h ASP 48 N 0.42 0.02 0.53 -0.43 1.82 -0.44 -2.03 116.42 116.31 2da3 h ASP 48 Ca 0.65 -0.33 -0.03 0.00 -0.39 0.00 0.00 57.03 56.93 2da3 h ASP 48 Cb 1.53 -0.01 0.01 0.00 0.68 0.00 0.00 39.33 41.54 2da3 h ASP 48 CO -0.40 0.35 -0.26 -0.74 -1.61 0.00 0.00 179.24 176.58 2da3 h HIS 49 N -0.30 -0.66 -0.81 0.28 2.76 0.03 -2.15 115.15 114.29 2da3 h HIS 49 Ca 0.00 -0.02 0.19 0.00 -2.20 0.00 0.00 60.37 58.34 2da3 h HIS 49 Cb 0.34 0.22 -0.12 0.00 1.55 0.00 0.00 27.41 29.40 2da3 h HIS 49 CO 0.04 -0.35 0.26 0.82 -1.30 0.00 0.00 177.93 177.39 2da3 h ILE 50 N -0.88 0.48 0.00 6.26 2.04 -0.64 0.73 117.51 125.51 2da3 h ILE 50 Ca -0.07 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 2da3 h ILE 50 Cb 0.61 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2da3 h ILE 50 CO 0.12 0.06 -0.14 0.00 0.00 0.00 0.00 178.15 178.19 2da3 h ALA 51 N 1.66 1.22 0.14 1.87 0.00 -1.26 -0.03 119.26 122.86 2da3 h ALA 51 Ca 0.48 -0.13 -0.29 0.00 0.00 0.00 0.00 54.91 54.97 2da3 h ALA 51 Cb 0.86 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.65 2da3 h ALA 51 CO -0.53 0.17 -1.25 1.25 0.00 0.00 0.00 179.25 178.89 2da3 h HIS 52 N 0.00 0.76 0.06 0.00 -0.00 0.11 -1.54 115.15 114.54 2da3 h HIS 52 Ca -0.00 -0.51 -0.24 0.00 -0.00 0.00 0.00 60.37 59.61 2da3 h HIS 52 Cb 0.41 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.78 2da3 h HIS 52 CO 0.00 1.38 -1.06 1.05 -0.00 0.00 0.00 177.93 179.29 2da3 h GLU 53 N 0.17 0.31 0.00 5.26 4.11 -0.76 -3.22 114.58 120.45 2da3 h GLU 53 Ca -0.17 -0.41 -0.06 0.00 0.07 0.00 0.00 59.36 58.79 2da3 h GLU 53 Cb 1.94 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 31.32 2da3 h GLU 53 CO 0.22 1.13 -0.27 0.28 0.07 0.00 0.00 179.01 180.44 2da3 h VAL 54 N 0.14 0.50 -0.86 -1.06 2.07 -1.10 -3.48 116.25 112.46 2da3 h VAL 54 Ca -0.10 -1.57 -0.05 0.00 0.82 0.00 0.00 66.70 65.79 2da3 h VAL 54 Cb 1.74 2.14 0.01 0.00 -1.52 0.00 0.00 31.29 33.66 2da3 h VAL 54 CO 0.18 0.27 -0.08 0.61 0.02 0.00 0.00 177.57 178.57 2da3 n GLY 55 N 0.95 0.44 3.24 2.17 0.00 -0.74 -4.93 105.19 106.32 2da3 n GLY 55 Ca 0.02 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.19 2.08 -0.47 0.99 2.96 -0.66 -4.88 118.68 117.51 2da3 s LEU 56 Ca 0.03 -0.43 -0.46 0.00 -0.22 0.00 0.00 54.13 53.04 2da3 s LEU 56 Cb -0.01 -1.06 -0.20 0.00 0.50 0.00 0.00 46.19 45.42 2da3 s LEU 56 CO 0.04 0.23 1.60 0.29 -1.32 0.00 0.00 176.35 177.19 2da3 n LYS 57 N 2.31 0.11 -0.34 1.98 5.02 -1.26 -4.58 118.16 121.40 2da3 n LYS 57 Ca -0.16 0.04 0.10 0.00 -2.02 0.00 0.00 58.31 56.27 2da3 n LYS 57 Cb 0.53 -1.56 0.22 0.00 -0.02 0.00 0.00 35.03 34.20 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 5.17 0.01 0.29 1.97 3.11 -1.90 0.85 116.57 126.07 2da3 h LYS 58 Ca -0.44 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.40 2da3 h LYS 58 Cb 1.37 -0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.56 2da3 h LYS 58 CO 0.97 0.01 -0.44 -0.09 -2.81 0.00 0.00 179.45 177.09 2da3 h ARG 59 N 0.01 -0.76 -1.01 1.90 9.65 -1.94 0.48 114.38 122.71 2da3 h ARG 59 Ca 0.53 0.05 0.23 0.00 -1.10 0.00 0.00 59.98 59.70 2da3 h ARG 59 Cb 0.98 0.17 -0.11 0.00 -1.39 0.00 0.00 29.97 29.62 2da3 h ARG 59 CO -0.93 -0.51 0.62 0.28 2.80 0.00 0.00 179.97 182.23 2da3 h VAL 60 N -0.79 0.58 -0.06 0.20 2.07 -1.21 0.23 116.25 117.27 2da3 h VAL 60 Ca -0.02 -0.20 -0.22 0.00 0.82 0.00 0.00 66.70 67.09 2da3 h VAL 60 Cb 0.75 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2da3 h VAL 60 CO -0.16 0.11 -0.84 0.58 0.02 0.00 0.00 177.57 177.27 2da3 h VAL 61 N 0.58 1.35 -0.58 2.57 2.07 -0.41 0.01 116.25 121.84 2da3 h VAL 61 Ca 0.61 -2.22 -0.11 0.00 0.82 0.00 0.00 66.70 65.81 2da3 h VAL 61 Cb 1.21 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 33.17 2da3 h VAL 61 CO -0.40 0.67 -0.06 -0.61 0.02 0.00 0.00 177.57 177.19 2da3 h GLN 62 N 0.33 1.06 0.15 1.57 4.15 0.28 -3.13 115.11 119.52 2da3 h GLN 62 Ca -0.06 -0.37 -0.28 0.00 0.77 0.00 0.00 58.65 58.71 2da3 h GLN 62 Cb 1.46 -0.08 0.03 0.00 0.21 0.00 0.00 27.48 29.10 2da3 h GLN 62 CO 0.15 1.07 -1.19 0.28 -1.93 0.00 0.00 178.83 177.21 2da3 h VAL 63 N 0.95 1.33 -0.35 2.39 2.07 -0.73 -3.23 116.25 118.68 2da3 h VAL 63 Ca 0.16 -2.50 0.10 0.00 0.82 0.00 0.00 66.70 65.28 2da3 h VAL 63 Cb 0.63 2.85 -0.01 0.00 -1.52 0.00 0.00 31.29 33.24 2da3 h VAL 63 CO 0.04 0.75 0.56 -0.25 0.02 0.00 0.00 177.57 178.69 2da3 h TRP 64 N 0.12 0.00 0.04 1.57 7.01 -0.97 0.10 115.95 123.82 2da3 h TRP 64 Ca -0.19 0.00 -0.15 0.00 2.11 0.00 0.00 58.89 60.66 2da3 h TRP 64 Cb 1.89 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.95 2da3 h TRP 64 CO 0.13 0.00 -0.76 0.74 -2.79 0.00 0.00 178.44 175.77 2da3 h PHE 65 N 0.00 0.16 0.00 2.65 -1.00 -1.56 -3.07 116.94 114.12 2da3 h PHE 65 Ca 0.17 -0.12 -0.03 0.00 2.81 0.00 0.00 57.97 60.80 2da3 h PHE 65 Cb 1.28 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 40.83 2da3 h PHE 65 CO 0.00 1.29 -0.15 -0.56 -1.61 0.00 0.00 178.31 177.29 2da3 h GLN 66 N -0.77 0.00 -0.00 1.51 3.07 -1.02 -2.41 115.11 115.49 2da3 h GLN 66 Ca -0.18 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.56 2da3 h GLN 66 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.89 2da3 h GLN 66 CO -0.03 0.15 -0.00 -0.91 0.09 0.00 0.00 178.83 178.13 2da3 h ASN 67 N 0.00 0.01 -0.33 0.06 2.35 -1.02 -2.87 115.58 113.77 2da3 h ASN 67 Ca -0.00 -0.63 0.06 0.00 -0.55 0.00 0.00 56.30 55.18 2da3 h ASN 67 Cb 0.27 -0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.59 2da3 h ASN 67 CO 0.02 0.63 0.01 0.74 -1.65 0.00 0.00 177.43 177.18 2da3 h THR 68 N -0.62 0.77 0.09 2.81 2.02 -1.41 -2.43 112.91 114.15 2da3 h THR 68 Ca -0.00 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.16 2da3 h THR 68 Cb 0.63 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 2da3 h THR 68 CO 0.00 0.02 -0.27 0.03 0.37 0.00 0.00 175.52 175.67 2da3 h ARG 69 N 0.11 -0.45 -0.97 6.66 3.08 -1.52 -0.80 114.38 120.50 2da3 h ARG 69 Ca 0.16 0.03 0.25 0.00 0.07 0.00 0.00 59.98 60.50 2da3 h ARG 69 Cb 0.21 0.10 -0.13 0.00 0.08 0.00 0.00 29.97 30.23 2da3 h ARG 69 CO -0.26 -0.30 0.52 0.00 -1.07 0.00 0.00 179.97 178.86 2da3 h ALA 70 N 0.28 1.71 0.17 0.04 0.00 -1.24 0.22 119.26 120.44 2da3 h ALA 70 Ca 0.04 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2da3 h ALA 70 Cb 0.50 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2da3 h ALA 70 CO -0.17 -0.36 -0.08 0.00 0.00 0.00 0.00 179.25 178.63 2da3 h ARG 71 N 0.46 -0.22 -0.71 0.00 3.08 -0.87 0.31 114.38 116.43 2da3 h ARG 71 Ca 0.64 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.79 2da3 h ARG 71 Cb 1.27 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 31.31 2da3 h ARG 71 CO -0.53 0.14 0.37 0.93 -1.07 0.00 0.00 179.97 179.82 2da3 h GLU 72 N -0.64 0.63 -0.18 0.04 4.39 0.19 -2.36 114.58 116.66 2da3 h GLU 72 Ca -0.02 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.49 2da3 h GLU 72 Cb 0.47 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2da3 h GLU 72 CO 0.04 0.42 -0.47 0.07 -1.16 0.00 0.00 179.01 177.90 2da3 h ARG 73 N 0.65 0.63 -6.80 2.33 0.11 -0.63 -3.45 114.38 107.21 2da3 h ARG 73 Ca 0.34 -0.44 -0.57 0.00 0.10 0.00 0.00 59.98 59.41 2da3 h ARG 73 Cb 0.31 0.07 0.15 0.00 1.11 0.00 0.00 29.97 31.62 2da3 h ARG 73 CO -0.24 1.06 0.16 1.63 0.10 0.00 0.00 179.97 182.68 2da3 n LYS 74 N -4.20 1.05 -4.38 0.08 5.02 0.11 -5.01 118.16 110.84 2da3 n LYS 74 Ca -0.06 0.40 -0.27 0.00 -2.02 0.00 0.00 58.31 56.36 2da3 n LYS 74 Cb 0.58 -2.17 -0.17 0.00 -0.02 0.00 0.00 35.03 33.26 2da3 n LYS 74 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2da3 s SER 75 N -1.11 2.13 0.00 4.39 0.01 -1.26 -4.91 113.70 112.95 2da3 s SER 75 Ca 0.72 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.63 2da3 s SER 75 Cb -0.44 -0.94 0.00 0.00 0.21 0.00 0.00 66.02 64.85 2da3 s SER 75 CO 0.50 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.75 2da3 n GLY 76 N 4.23 -0.78 3.72 3.44 0.00 -1.26 -5.14 105.19 109.40 2da3 n GLY 76 Ca -0.19 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.88 1.29 -0.93 1.61 0.04 -1.26 -4.97 135.00 128.89 2da3 s PRO 77 Ca 0.00 0.83 -0.15 0.00 0.04 0.00 0.00 61.00 61.72 2da3 s PRO 77 Cb 0.00 -1.81 0.19 0.00 0.04 0.00 0.00 34.50 32.92 2da3 s PRO 77 CO 0.00 -2.22 1.00 -1.12 0.04 0.00 0.00 177.00 174.70 2da3 s SER 78 N -3.42 6.80 -1.17 6.66 0.01 -1.26 -4.43 113.70 116.89 2da3 s SER 78 Ca 0.63 -2.57 -0.06 0.00 1.31 0.00 0.00 55.95 55.26 2da3 s SER 78 Cb -0.18 -2.30 0.01 0.00 0.21 0.00 0.00 66.02 63.76 2da3 s SER 78 CO 0.57 -0.74 1.02 -1.20 0.41 0.00 0.00 173.24 173.29 2da3 n SER 79 N 4.97 -5.06 0.00 2.44 7.64 -1.26 -5.35 113.62 117.01 2da3 n SER 79 Ca 0.21 -0.49 0.00 0.00 1.01 0.00 0.00 58.87 59.60 2da3 n SER 79 Cb 0.47 -4.54 0.00 0.00 -1.01 0.00 0.00 64.21 59.13 2da3 n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64