#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 2.15 0.15 1.61 1.04 -1.26 -5.12 113.70 112.28 2da3 s SER 2 Ca 0.00 -0.30 -0.24 0.00 0.48 0.00 0.00 55.95 55.89 2da3 s SER 2 Cb 0.00 -0.80 0.08 0.00 0.10 0.00 0.00 66.02 65.39 2da3 s SER 2 CO 0.00 -0.13 1.04 -0.55 0.98 0.00 0.00 173.24 174.58 2da3 s SER 3 N 1.73 -0.07 0.46 7.02 0.15 -1.26 -5.19 113.70 116.55 2da3 s SER 3 Ca 0.05 -0.52 0.06 0.00 0.70 0.00 0.00 55.95 56.24 2da3 s SER 3 Cb -0.13 0.46 0.06 0.00 -1.71 0.00 0.00 66.02 64.71 2da3 s SER 3 CO -0.08 -0.89 0.54 0.61 1.20 0.00 0.00 173.24 174.62 2da3 n GLY 4 N -0.60 2.26 3.79 9.45 0.00 -1.26 -5.11 105.19 113.72 2da3 n GLY 4 Ca -0.05 -2.23 -0.36 0.00 0.00 0.00 0.00 46.02 43.38 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 -3.82 6.30 -0.45 1.61 0.01 -1.26 -5.06 113.70 111.03 2da3 s SER 5 Ca 0.41 0.35 -0.05 0.00 1.31 0.00 0.00 55.95 57.96 2da3 s SER 5 Cb -0.03 -2.09 0.12 0.00 0.21 0.00 0.00 66.02 64.23 2da3 s SER 5 CO 0.26 0.26 0.28 -0.44 0.41 0.00 0.00 173.24 174.01 2da3 s SER 6 N -0.17 5.43 0.05 2.44 0.01 -1.26 -5.00 113.70 115.20 2da3 s SER 6 Ca 0.11 -2.06 -0.10 0.00 1.31 0.00 0.00 55.95 55.21 2da3 s SER 6 Cb -0.12 -1.90 -0.03 0.00 0.21 0.00 0.00 66.02 64.19 2da3 s SER 6 CO 0.01 -0.58 1.18 1.23 0.41 0.00 0.00 173.24 175.48 2da3 h GLY 7 N 8.11 -1.95 0.00 3.44 0.00 -2.08 -3.44 103.07 107.15 2da3 h GLY 7 Ca -0.15 0.96 0.00 0.00 0.00 0.00 0.00 47.33 48.15 2da3 h GLY 7 CO 0.76 -0.64 0.00 0.61 0.00 0.00 0.00 176.54 177.27 2da3 n GLY 8 N -1.10 3.75 3.72 4.60 0.00 -1.26 -4.56 105.19 110.35 2da3 n GLY 8 Ca 0.00 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 3.22 -0.54 2.61 2.01 -1.26 -4.95 115.64 116.73 2da3 s THR 9 Ca 0.00 0.92 0.03 0.00 0.31 0.00 0.00 61.69 62.95 2da3 s THR 9 Cb 0.00 -3.59 0.41 0.00 0.01 0.00 0.00 72.50 69.33 2da3 s THR 9 CO 0.00 0.10 1.40 0.61 -0.69 0.00 0.00 174.62 176.04 2da3 n GLY 10 N 3.04 5.92 0.00 4.40 0.00 -1.26 -5.02 105.19 112.27 2da3 n GLY 10 Ca 0.09 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.54 -0.64 3.48 -0.02 0.00 -1.26 -5.17 105.19 101.04 2da3 n GLY 11 Ca 0.44 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 2da3 n GLY 11 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2da3 s GLU 12 N -0.18 1.72 0.05 1.61 2.56 -1.26 -5.15 118.70 118.05 2da3 s GLU 12 Ca 0.00 -1.34 0.04 0.00 0.00 0.00 0.00 54.97 53.67 2da3 s GLU 12 Cb 0.00 -2.01 -0.02 0.00 2.00 0.00 0.00 34.13 34.10 2da3 s GLU 12 CO 0.00 0.44 -0.12 -1.21 -0.56 0.00 0.00 175.26 173.81 2da3 s GLU 13 N -2.48 0.73 -0.54 4.30 0.41 -1.26 -5.10 118.70 114.77 2da3 s GLU 13 Ca 0.20 -0.81 -0.27 0.00 -0.41 0.00 0.00 54.97 53.68 2da3 s GLU 13 Cb -0.09 -0.66 -0.02 0.00 -1.78 0.00 0.00 34.13 31.58 2da3 s GLU 13 CO 0.11 0.15 1.82 -1.25 -0.49 0.00 0.00 175.26 175.59 2da3 s PRO 14 N -1.46 2.84 0.07 0.39 0.04 -1.26 -4.95 135.00 130.66 2da3 s PRO 14 Ca -0.03 0.80 -0.01 0.00 0.04 0.00 0.00 61.00 61.80 2da3 s PRO 14 Cb -0.09 -4.32 -0.04 0.00 0.04 0.00 0.00 34.50 30.09 2da3 s PRO 14 CO 0.01 -2.47 -0.01 -1.14 0.04 0.00 0.00 177.00 173.43 2da3 s GLN 15 N 6.60 0.67 -0.03 4.56 0.74 -1.26 -5.16 119.66 125.78 2da3 s GLN 15 Ca 0.69 -1.26 0.06 0.00 0.05 0.00 0.00 55.36 54.90 2da3 s GLN 15 Cb -0.15 0.21 -0.01 0.00 1.10 0.00 0.00 33.01 34.16 2da3 s GLN 15 CO 0.24 -0.14 -0.20 -0.98 -0.55 0.00 0.00 175.29 173.67 2da3 s ARG 16 N -3.94 1.83 -0.63 1.67 1.70 -1.26 -5.09 118.95 113.23 2da3 s ARG 16 Ca 0.10 -0.71 -0.27 0.00 -0.47 0.00 0.00 55.73 54.38 2da3 s ARG 16 Cb 0.08 -1.66 0.03 0.00 -0.57 0.00 0.00 34.95 32.83 2da3 s ARG 16 CO -0.08 0.36 1.19 -0.51 -1.08 0.00 0.00 175.30 175.18 2da3 s ASP 17 N -0.24 6.34 -0.15 -2.89 1.01 -1.26 -4.79 116.67 114.69 2da3 s ASP 17 Ca 0.02 -0.13 0.06 0.00 0.71 0.00 0.00 52.55 53.21 2da3 s ASP 17 Cb -0.10 -2.54 -0.14 0.00 1.01 0.00 0.00 42.92 41.15 2da3 s ASP 17 CO 0.01 -1.57 -0.06 0.29 0.21 0.00 0.00 175.17 174.05 2da3 n LYS 18 N 8.63 1.10 0.29 8.23 4.76 -1.26 -4.46 118.16 135.45 2da3 n LYS 18 Ca 0.06 0.05 0.14 0.00 -2.87 0.00 0.00 58.31 55.69 2da3 n LYS 18 Cb 0.49 -1.34 0.89 0.00 -1.84 0.00 0.00 35.03 33.23 2da3 n LYS 18 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 2da3 h ARG 19 N 0.00 0.00 -6.76 1.97 0.11 -1.96 -3.45 114.38 104.29 2da3 h ARG 19 Ca -0.37 0.00 -0.43 0.00 0.10 0.00 0.00 59.98 59.28 2da3 h ARG 19 Cb 1.69 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 32.69 2da3 h ARG 19 CO -0.02 0.01 -0.69 1.28 0.10 0.00 0.00 179.97 180.64 2da3 n LEU 20 N -3.90 -0.39 -4.24 0.08 4.77 -1.26 -4.81 117.00 107.25 2da3 n LEU 20 Ca -0.03 -0.91 -0.34 0.00 -0.03 0.00 0.00 56.01 54.70 2da3 n LEU 20 Cb 0.09 -1.11 0.12 0.00 -2.33 0.00 0.00 43.42 40.20 2da3 n LEU 20 CO 0.28 0.45 -0.75 0.54 -1.33 0.00 0.00 177.39 176.58 2da3 n ARG 21 N -3.67 -0.86 -0.04 3.23 1.74 -1.26 -4.42 116.66 111.39 2da3 n ARG 21 Ca -0.16 -0.23 -0.01 0.00 -0.77 0.00 0.00 57.85 56.68 2da3 n ARG 21 Cb 0.44 -1.57 -0.00 0.00 -1.02 0.00 0.00 32.46 30.32 2da3 n ARG 21 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2da3 h THR 22 N -1.67 0.00 -1.83 0.55 2.02 -2.00 -3.35 112.91 106.64 2da3 h THR 22 Ca -0.48 -0.68 -0.19 0.00 0.77 0.00 0.00 66.41 65.83 2da3 h THR 22 Cb 1.34 0.00 0.11 0.00 -1.74 0.00 0.00 68.15 67.86 2da3 h THR 22 CO 0.33 0.00 -0.27 0.35 0.37 0.00 0.00 175.52 176.30 2da3 n THR 23 N -3.88 0.00 -4.41 3.16 -2.24 -1.26 -4.85 114.28 100.79 2da3 n THR 23 Ca -0.02 -0.03 -0.26 0.00 -2.27 0.00 0.00 64.05 61.47 2da3 n THR 23 Cb 0.08 -0.42 -0.11 0.00 -2.10 0.00 0.00 70.33 67.78 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 -2.06 2.55 0.17 2.28 1.01 -1.26 -4.96 121.20 118.92 2da3 s ILE 24 Ca 0.31 -2.09 0.06 0.00 0.00 0.00 0.00 60.65 58.94 2da3 s ILE 24 Cb -0.05 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 2da3 s ILE 24 CO 0.29 -0.21 0.07 0.42 0.00 0.00 0.00 174.94 175.52 2da3 s THR 25 N -1.95 4.12 -0.57 2.92 -4.23 -1.26 -5.01 115.64 109.66 2da3 s THR 25 Ca 0.24 -1.26 0.22 0.00 -1.18 0.00 0.00 61.69 59.72 2da3 s THR 25 Cb -0.07 -3.10 0.22 0.00 1.34 0.00 0.00 72.50 70.90 2da3 s THR 25 CO 0.12 -0.12 1.66 -0.81 -0.54 0.00 0.00 174.62 174.94 2da3 n PRO 26 N -0.27 0.16 -0.00 3.99 -0.04 -1.26 -1.89 135.00 135.69 2da3 n PRO 26 Ca -0.09 0.40 0.04 0.00 -0.04 0.00 0.00 63.50 63.81 2da3 n PRO 26 Cb 0.55 -1.80 -0.12 0.00 -0.04 0.00 0.00 33.50 32.08 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 -2.10 0.65 0.05 0.54 -0.58 -1.26 -4.37 120.64 113.57 2da3 n GLU 27 Ca 0.02 -0.01 -0.22 0.00 -0.42 0.00 0.00 57.16 56.53 2da3 n GLU 27 Cb 0.21 -1.63 -0.15 0.00 -0.57 0.00 0.00 31.44 29.31 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 0.35 -0.72 3.49 4.20 -1.85 -3.38 115.11 117.20 2da3 h GLN 28 Ca -0.16 -0.59 0.09 0.00 0.06 0.00 0.00 58.65 58.06 2da3 h GLN 28 Cb 1.40 0.22 -0.12 0.00 0.30 0.00 0.00 27.48 29.29 2da3 h GLN 28 CO 0.02 1.28 -0.48 -0.07 -0.67 0.00 0.00 178.83 178.91 2da3 h LEU 29 N -0.09 -1.69 -0.70 1.46 3.38 -1.58 -0.18 115.31 115.91 2da3 h LEU 29 Ca -0.30 0.28 0.11 0.00 0.09 0.00 0.00 57.88 58.06 2da3 h LEU 29 Cb 1.94 0.77 -0.12 0.00 0.09 0.00 0.00 40.66 43.34 2da3 h LEU 29 CO 0.14 -0.31 -0.25 -0.62 0.09 0.00 0.00 178.44 177.48 2da3 n GLU 30 N -5.38 -0.14 -0.20 1.13 -0.58 -1.26 0.20 120.64 114.41 2da3 n GLU 30 Ca 0.02 1.08 -0.02 0.00 -0.42 0.00 0.00 57.16 57.82 2da3 n GLU 30 Cb 0.34 -1.60 0.08 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 0.93 -0.29 -3.67 2.04 -1.25 0.20 117.51 115.47 2da3 h ILE 31 Ca 0.26 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 2da3 h ILE 31 Cb 0.43 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2da3 h ILE 31 CO -0.70 0.10 0.07 -0.07 0.00 0.00 0.00 178.15 177.56 2da3 h LEU 32 N 0.57 0.45 -0.37 1.44 3.38 0.25 -1.19 115.31 119.83 2da3 h LEU 32 Ca 0.27 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2da3 h LEU 32 Cb 0.20 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2da3 h LEU 32 CO -0.19 0.56 0.19 1.88 0.09 0.00 0.00 178.44 180.97 2da3 h TYR 33 N 0.31 0.53 -0.58 1.13 0.05 -0.05 0.11 116.97 118.47 2da3 h TYR 33 Ca 0.09 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.85 2da3 h TYR 33 Cb 0.29 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 2da3 h TYR 33 CO 0.01 0.43 0.35 1.96 -1.05 0.00 0.00 178.16 179.86 2da3 h GLN 34 N 0.47 0.79 0.00 4.88 1.08 -0.54 0.81 115.11 122.60 2da3 h GLN 34 Ca 0.13 -0.07 -0.09 0.00 -1.45 0.00 0.00 58.65 57.16 2da3 h GLN 34 Cb 0.09 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 2da3 h GLN 34 CO -0.02 0.57 -0.44 0.87 -0.95 0.00 0.00 178.83 178.86 2da3 h LYS 35 N 0.78 0.00 0.02 1.46 1.79 -0.99 -3.04 116.57 116.59 2da3 h LYS 35 Ca 0.21 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.68 2da3 h LYS 35 Cb -0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2da3 h LYS 35 CO -0.04 0.44 -0.01 -0.92 -1.08 0.00 0.00 179.45 177.84 2da3 h TYR 36 N 0.00 -0.03 -0.99 -1.35 3.20 -0.15 0.27 116.97 117.92 2da3 h TYR 36 Ca -0.00 -0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.08 2da3 h TYR 36 Cb 0.83 0.01 -0.10 0.00 1.54 0.00 0.00 36.73 39.01 2da3 h TYR 36 CO 0.00 0.64 0.62 -0.07 -1.64 0.00 0.00 178.16 177.71 2da3 h LEU 37 N -0.74 0.64 0.11 2.82 3.38 -0.86 -0.96 115.31 119.70 2da3 h LEU 37 Ca -0.00 0.09 -0.32 0.00 0.09 0.00 0.00 57.88 57.73 2da3 h LEU 37 Cb 0.68 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2da3 h LEU 37 CO 0.00 0.20 -1.67 0.17 0.09 0.00 0.00 178.44 177.23 2da3 h LEU 38 N 0.61 0.36 -7.11 1.67 8.10 -1.57 -3.44 115.31 113.93 2da3 h LEU 38 Ca 0.57 -0.59 -0.55 0.00 0.11 0.00 0.00 57.88 57.43 2da3 h LEU 38 Cb 1.11 -0.12 -0.40 0.00 -0.44 0.00 0.00 40.66 40.81 2da3 h LEU 38 CO -0.34 1.50 -0.76 -0.62 -4.11 0.00 0.00 178.44 174.11 2da3 s ASP 39 N -6.90 3.53 0.00 0.17 -1.08 0.95 -4.96 116.67 108.39 2da3 s ASP 39 Ca -0.12 -1.28 0.18 0.00 -0.52 0.00 0.00 52.55 50.82 2da3 s ASP 39 Cb 0.07 -0.65 0.03 0.00 -1.46 0.00 0.00 42.92 40.91 2da3 s ASP 39 CO 0.83 -0.38 0.96 -1.20 0.52 0.00 0.00 175.17 175.90 2da3 n SER 40 N 5.01 1.93 -2.51 -0.34 7.64 -0.94 -3.80 113.62 120.61 2da3 n SER 40 Ca -0.05 -1.47 -0.16 0.00 1.01 0.00 0.00 58.87 58.20 2da3 n SER 40 Cb 0.44 0.36 0.02 0.00 -1.01 0.00 0.00 64.21 64.02 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 0.17 3.20 -4.39 6.43 3.02 -1.26 -5.01 115.26 117.42 2da3 n ASN 41 Ca 0.08 -3.13 -0.29 0.00 -0.03 0.00 0.00 54.58 51.22 2da3 n ASN 41 Cb 0.40 -0.46 0.20 0.00 -0.61 0.00 0.00 39.78 39.30 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 -0.20 0.23 3.52 0.04 -1.26 -5.07 135.00 128.79 2da3 s PRO 42 Ca 0.38 0.30 0.09 0.00 0.04 0.00 0.00 61.00 61.82 2da3 s PRO 42 Cb 0.41 -1.68 -0.04 0.00 0.04 0.00 0.00 34.50 33.22 2da3 s PRO 42 CO -0.05 -3.11 -0.06 -0.08 0.04 0.00 0.00 177.00 173.74 2da3 s THR 43 N -2.98 3.27 0.27 1.26 -1.32 -1.26 -4.94 115.64 109.94 2da3 s THR 43 Ca 0.67 -1.83 0.12 0.00 -1.21 0.00 0.00 61.69 59.44 2da3 s THR 43 Cb -0.16 -2.69 0.28 0.00 -1.51 0.00 0.00 72.50 68.42 2da3 s THR 43 CO 0.57 -0.26 1.18 0.54 -2.21 0.00 0.00 174.62 174.44 2da3 n ARG 44 N -0.47 -0.05 0.09 7.08 5.12 -1.26 0.13 116.66 127.30 2da3 n ARG 44 Ca -0.08 1.05 -0.12 0.00 -1.93 0.00 0.00 57.85 56.77 2da3 n ARG 44 Cb 0.57 -1.84 -0.05 0.00 -1.16 0.00 0.00 32.46 29.99 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 -0.38 0.37 5.56 1.63 -1.99 0.39 116.57 122.15 2da3 h LYS 45 Ca 0.59 0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.40 2da3 h LYS 45 Cb 1.50 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 33.22 2da3 h LYS 45 CO -0.61 -0.25 -0.18 0.52 -3.45 0.00 0.00 179.45 175.48 2da3 h MET 46 N -0.39 -0.48 -0.97 1.90 2.86 0.64 -1.83 114.93 116.65 2da3 h MET 46 Ca 0.04 0.03 0.22 0.00 -2.06 0.00 0.00 59.70 57.93 2da3 h MET 46 Cb 0.44 0.11 -0.09 0.00 0.06 0.00 0.00 31.60 32.12 2da3 h MET 46 CO -0.15 -0.29 0.63 -0.07 1.06 0.00 0.00 176.91 178.08 2da3 h LEU 47 N -0.54 0.52 -0.03 1.22 3.38 -1.18 0.15 115.31 118.83 2da3 h LEU 47 Ca -0.05 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2da3 h LEU 47 Cb 0.41 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2da3 h LEU 47 CO 0.08 0.17 -0.01 -0.78 0.09 0.00 0.00 178.44 178.00 2da3 h ASP 48 N 0.50 0.06 0.78 -0.43 3.58 -0.52 -2.41 116.42 117.98 2da3 h ASP 48 Ca 0.54 -0.37 -0.04 0.00 0.42 0.00 0.00 57.03 57.58 2da3 h ASP 48 Cb 1.20 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 42.24 2da3 h ASP 48 CO -0.27 0.41 -0.38 -0.74 -2.88 0.00 0.00 179.24 175.39 2da3 h HIS 49 N -0.29 -0.97 -0.81 0.28 2.76 -0.32 -2.30 115.15 113.50 2da3 h HIS 49 Ca 0.01 -0.02 0.19 0.00 -2.20 0.00 0.00 60.37 58.35 2da3 h HIS 49 Cb 0.39 0.32 -0.14 0.00 1.55 0.00 0.00 27.41 29.53 2da3 h HIS 49 CO 0.05 -0.59 0.02 0.82 -1.30 0.00 0.00 177.93 176.93 2da3 h ILE 50 N -1.18 0.28 0.00 6.26 2.04 -0.87 1.20 117.51 125.25 2da3 h ILE 50 Ca -0.11 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 2da3 h ILE 50 Cb 0.82 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2da3 h ILE 50 CO 0.18 0.02 -0.09 0.00 0.00 0.00 0.00 178.15 178.26 2da3 h ALA 51 N 1.76 1.35 0.10 1.87 0.00 -1.35 0.25 119.26 123.25 2da3 h ALA 51 Ca 0.45 -0.08 -0.27 0.00 0.00 0.00 0.00 54.91 55.01 2da3 h ALA 51 Cb 0.83 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.63 2da3 h ALA 51 CO -0.71 0.11 -1.12 1.25 0.00 0.00 0.00 179.25 178.77 2da3 h HIS 52 N 0.00 0.94 -0.02 0.00 -0.00 0.20 -1.28 115.15 114.99 2da3 h HIS 52 Ca -0.00 -0.58 -0.19 0.00 -0.00 0.00 0.00 60.37 59.60 2da3 h HIS 52 Cb 0.24 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.56 2da3 h HIS 52 CO 0.00 1.42 -0.81 1.05 -0.00 0.00 0.00 177.93 179.60 2da3 h GLU 53 N 0.19 0.23 0.00 5.26 4.11 -0.68 -3.17 114.58 120.51 2da3 h GLU 53 Ca -0.17 -0.22 -0.14 0.00 0.07 0.00 0.00 59.36 58.90 2da3 h GLU 53 Cb 1.81 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 31.09 2da3 h GLU 53 CO 0.22 0.92 -0.67 0.28 0.07 0.00 0.00 179.01 179.82 2da3 h VAL 54 N 0.14 1.20 -0.80 -1.06 2.07 -1.04 -3.48 116.25 113.28 2da3 h VAL 54 Ca -0.04 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 64.90 2da3 h VAL 54 Cb 1.40 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 33.69 2da3 h VAL 54 CO 0.13 0.66 0.00 0.61 0.02 0.00 0.00 177.57 178.99 2da3 n GLY 55 N 1.13 0.84 3.17 2.17 0.00 -0.57 -4.96 105.19 106.97 2da3 n GLY 55 Ca 0.01 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.80 2.18 -0.39 0.99 2.96 -0.66 -4.69 118.68 118.26 2da3 s LEU 56 Ca 0.00 -0.48 -0.44 0.00 -0.22 0.00 0.00 54.13 53.00 2da3 s LEU 56 Cb 0.00 -0.67 -0.18 0.00 0.50 0.00 0.00 46.19 45.84 2da3 s LEU 56 CO 0.00 0.05 1.66 0.29 -1.32 0.00 0.00 176.35 177.03 2da3 n LYS 57 N 1.86 0.55 -0.37 1.98 5.02 -1.26 -4.60 118.16 121.34 2da3 n LYS 57 Ca -0.18 0.20 0.02 0.00 -2.02 0.00 0.00 58.31 56.33 2da3 n LYS 57 Cb 0.54 -1.79 0.08 0.00 -0.02 0.00 0.00 35.03 33.85 2da3 n LYS 57 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2da3 n LYS 58 N 4.61 -0.17 0.09 1.97 0.00 -1.26 -0.82 118.16 122.57 2da3 n LYS 58 Ca 0.29 1.54 -0.15 0.00 0.00 0.00 0.00 58.31 59.98 2da3 n LYS 58 Cb 0.03 -2.29 -0.09 0.00 0.00 0.00 0.00 35.03 32.68 2da3 n LYS 58 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2da3 h ARG 59 N 0.00 -0.67 -1.02 1.64 9.65 -1.94 0.46 114.38 122.49 2da3 h ARG 59 Ca 0.40 0.05 0.25 0.00 -1.10 0.00 0.00 59.98 59.58 2da3 h ARG 59 Cb 0.65 0.15 -0.11 0.00 -1.39 0.00 0.00 29.97 29.27 2da3 h ARG 59 CO -1.00 -0.45 0.63 0.28 2.80 0.00 0.00 179.97 182.23 2da3 h VAL 60 N -0.70 0.54 -0.15 0.20 2.07 -1.33 0.28 116.25 117.16 2da3 h VAL 60 Ca -0.00 -0.17 -0.20 0.00 0.82 0.00 0.00 66.70 67.15 2da3 h VAL 60 Cb 0.71 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2da3 h VAL 60 CO -0.30 0.09 -0.71 0.58 0.02 0.00 0.00 177.57 177.26 2da3 h VAL 61 N 0.50 1.31 0.46 2.57 2.07 0.17 -1.86 116.25 121.48 2da3 h VAL 61 Ca 0.62 -1.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 2da3 h VAL 61 Cb 1.35 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2da3 h VAL 61 CO -0.39 0.62 -0.22 -0.61 0.02 0.00 0.00 177.57 176.99 2da3 h GLN 62 N 0.46 -0.60 -0.48 1.57 4.15 0.31 -3.22 115.11 117.30 2da3 h GLN 62 Ca -0.03 0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.48 2da3 h GLN 62 Cb 1.31 0.14 -0.05 0.00 0.21 0.00 0.00 27.48 29.09 2da3 h GLN 62 CO 0.14 -0.31 0.22 0.28 -1.93 0.00 0.00 178.83 177.23 2da3 h VAL 63 N -1.04 0.91 -0.97 2.39 2.07 -0.78 -2.13 116.25 116.70 2da3 h VAL 63 Ca -0.06 -0.15 0.32 0.00 0.82 0.00 0.00 66.70 67.63 2da3 h VAL 63 Cb 0.57 0.45 -0.17 0.00 -1.52 0.00 0.00 31.29 30.62 2da3 h VAL 63 CO 0.10 0.08 0.34 -0.25 0.02 0.00 0.00 177.57 177.86 2da3 h TRP 64 N 0.43 0.50 -0.70 1.57 7.01 -1.40 0.89 115.95 124.25 2da3 h TRP 64 Ca 0.22 0.05 -0.05 0.00 2.11 0.00 0.00 58.89 61.22 2da3 h TRP 64 Cb 0.17 -0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.14 2da3 h TRP 64 CO -0.12 -0.34 0.24 0.74 -2.79 0.00 0.00 178.44 176.16 2da3 h PHE 65 N 0.12 1.11 -0.38 2.65 -1.00 -1.39 -2.58 116.94 115.47 2da3 h PHE 65 Ca 0.69 -0.10 -0.00 0.00 2.81 0.00 0.00 57.97 61.37 2da3 h PHE 65 Cb 1.60 -0.32 -0.02 0.00 3.61 0.00 0.00 35.95 40.81 2da3 h PHE 65 CO -0.20 0.88 0.23 1.96 -1.61 0.00 0.00 178.31 179.57 2da3 h GLN 66 N 1.02 0.51 -0.72 1.51 4.20 0.80 -1.60 115.11 120.82 2da3 h GLN 66 Ca 0.23 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.94 2da3 h GLN 66 Cb 0.28 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 2da3 h GLN 66 CO -0.01 0.37 0.44 -0.91 -0.67 0.00 0.00 178.83 178.05 2da3 h ASN 67 N 0.50 0.70 -0.07 1.46 2.35 -1.11 0.81 115.58 120.23 2da3 h ASN 67 Ca 0.14 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2da3 h ASN 67 Cb -0.01 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 2da3 h ASN 67 CO -0.03 0.47 0.03 0.74 -1.65 0.00 0.00 177.43 176.99 2da3 h THR 68 N 0.84 1.11 0.25 2.81 2.02 -1.12 -1.24 112.91 117.57 2da3 h THR 68 Ca 0.30 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2da3 h THR 68 Cb 0.09 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2da3 h THR 68 CO -0.14 0.09 -0.12 0.03 0.37 0.00 0.00 175.52 175.75 2da3 h ARG 69 N -0.01 -0.32 -1.00 6.66 3.08 -0.96 0.19 114.38 122.02 2da3 h ARG 69 Ca 0.02 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.24 2da3 h ARG 69 Cb 0.12 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.15 2da3 h ARG 69 CO -0.00 -0.17 0.62 0.00 -1.07 0.00 0.00 179.97 179.35 2da3 h ALA 70 N 0.33 1.60 0.11 0.04 0.00 -0.82 0.24 119.26 120.76 2da3 h ALA 70 Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2da3 h ALA 70 Cb 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2da3 h ALA 70 CO 0.06 0.11 -0.05 0.00 0.00 0.00 0.00 179.25 179.36 2da3 h ARG 71 N 0.89 -0.14 -0.88 0.00 3.08 -0.94 0.54 114.38 116.93 2da3 h ARG 71 Ca 0.52 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.68 2da3 h ARG 71 Cb 0.65 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.66 2da3 h ARG 71 CO -0.30 0.34 0.53 0.93 -1.07 0.00 0.00 179.97 180.40 2da3 h GLU 72 N -0.75 0.86 -0.14 0.04 4.39 -0.17 -2.06 114.58 116.74 2da3 h GLU 72 Ca -0.02 -0.05 -0.22 0.00 0.34 0.00 0.00 59.36 59.41 2da3 h GLU 72 Cb 0.55 -0.19 0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2da3 h GLU 72 CO 0.03 0.57 -0.79 0.07 -1.16 0.00 0.00 179.01 177.73 2da3 h ARG 73 N 0.88 0.78 -6.96 2.33 0.11 -0.59 -3.45 114.38 107.49 2da3 h ARG 73 Ca 0.42 -0.65 -0.52 0.00 0.10 0.00 0.00 59.98 59.33 2da3 h ARG 73 Cb 0.36 0.14 0.07 0.00 1.11 0.00 0.00 29.97 31.65 2da3 h ARG 73 CO -0.24 1.26 0.55 0.21 0.10 0.00 0.00 179.97 181.85 2da3 s LYS 74 N -3.71 3.89 0.07 0.08 2.20 0.18 -5.01 119.74 117.44 2da3 s LYS 74 Ca -0.10 1.99 -0.15 0.00 -0.36 0.00 0.00 55.97 57.34 2da3 s LYS 74 Cb 0.08 -2.63 -0.06 0.00 -1.51 0.00 0.00 37.83 33.71 2da3 s LYS 74 CO 0.90 -0.50 0.48 -1.54 -0.36 0.00 0.00 175.35 174.34 2da3 s SER 75 N -1.00 6.85 0.00 1.43 1.04 -1.26 -4.86 113.70 115.90 2da3 s SER 75 Ca 0.59 1.04 0.00 0.00 0.48 0.00 0.00 55.95 58.06 2da3 s SER 75 Cb -0.34 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2da3 s SER 75 CO 0.43 0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.48 2da3 n GLY 76 N 1.36 2.28 3.67 7.32 0.00 -1.26 -5.13 105.19 113.42 2da3 n GLY 76 Ca -0.10 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.68 4.23 0.01 1.61 0.04 -1.26 -4.98 135.00 133.97 2da3 s PRO 77 Ca 0.00 2.01 -0.28 0.00 0.04 0.00 0.00 61.00 62.78 2da3 s PRO 77 Cb 0.00 -3.78 0.09 0.00 0.04 0.00 0.00 34.50 30.85 2da3 s PRO 77 CO 0.00 -0.72 0.80 0.45 0.04 0.00 0.00 177.00 177.57 2da3 s SER 78 N 2.52 -0.46 -0.46 6.66 0.15 -1.26 -5.12 113.70 115.73 2da3 s SER 78 Ca 0.66 0.15 -0.26 0.00 0.70 0.00 0.00 55.95 57.20 2da3 s SER 78 Cb -0.31 0.45 0.03 0.00 -1.71 0.00 0.00 66.02 64.48 2da3 s SER 78 CO 0.26 -0.68 0.98 -0.94 1.20 0.00 0.00 173.24 174.05 2da3 s SER 79 N -2.20 6.54 0.00 5.45 1.04 -1.26 -5.31 113.70 117.96 2da3 s SER 79 Ca 0.01 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2da3 s SER 79 Cb -0.01 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2da3 s SER 79 CO -0.06 -1.09 0.12 0.61 0.98 0.00 0.00 173.24 173.79