#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 -0.30 -0.00 1.61 0.01 -1.26 -5.15 113.70 108.61 2da3 s SER 2 Ca 0.00 0.41 0.01 0.00 1.31 0.00 0.00 55.95 57.67 2da3 s SER 2 Cb 0.00 1.47 -0.00 0.00 0.21 0.00 0.00 66.02 67.69 2da3 s SER 2 CO 0.00 -0.29 -0.02 -0.55 0.41 0.00 0.00 173.24 172.79 2da3 s SER 3 N 2.65 0.26 0.21 2.44 0.15 -1.26 -5.12 113.70 113.03 2da3 s SER 3 Ca 0.15 -0.06 -0.32 0.00 0.70 0.00 0.00 55.95 56.42 2da3 s SER 3 Cb -0.15 -0.02 -0.14 0.00 -1.71 0.00 0.00 66.02 64.00 2da3 s SER 3 CO -0.18 0.01 1.37 0.61 1.20 0.00 0.00 173.24 176.25 2da3 n GLY 4 N 2.96 0.65 3.56 9.45 0.00 -1.26 -4.85 105.19 115.69 2da3 n GLY 4 Ca -0.13 0.53 -0.37 0.00 0.00 0.00 0.00 46.02 46.05 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 0.30 5.84 0.06 1.61 0.01 -1.26 -4.87 113.70 115.40 2da3 s SER 5 Ca 0.71 -0.63 -0.27 0.00 1.31 0.00 0.00 55.95 57.07 2da3 s SER 5 Cb -0.71 -2.56 0.09 0.00 0.21 0.00 0.00 66.02 63.06 2da3 s SER 5 CO 0.49 -2.06 1.18 -0.94 0.41 0.00 0.00 173.24 172.32 2da3 s SER 6 N 5.98 -0.04 0.00 2.44 1.04 -1.26 -5.17 113.70 116.69 2da3 s SER 6 Ca 0.53 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.63 2da3 s SER 6 Cb -0.06 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2da3 s SER 6 CO 0.05 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.32 2da3 n GLY 7 N -0.65 2.04 0.00 7.32 0.00 -1.26 -5.18 105.19 107.46 2da3 n GLY 7 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 -1.44 3.17 -0.02 0.00 -1.26 -4.95 105.19 100.70 2da3 n GLY 8 Ca 0.00 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.72 0.00 0.00 2.61 -2.24 -1.26 -4.65 114.28 107.02 2da3 n THR 9 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2da3 n THR 9 Cb 0.00 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 2da3 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2da3 n GLY 10 N 2.61 3.20 0.00 3.38 0.00 -1.26 -5.12 105.19 108.00 2da3 n GLY 10 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 1.02 3.54 -0.02 0.00 -1.26 -5.14 105.19 103.33 2da3 n GLY 11 Ca 0.00 -1.91 -0.25 0.00 0.00 0.00 0.00 46.02 43.86 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 1.87 1.83 0.42 1.61 -1.05 -1.26 -5.11 118.70 117.01 2da3 s GLU 12 Ca 0.00 -2.06 -0.25 0.00 -0.15 0.00 0.00 54.97 52.52 2da3 s GLU 12 Cb 0.00 -1.10 -0.10 0.00 -0.44 0.00 0.00 34.13 32.49 2da3 s GLU 12 CO 0.00 -0.21 1.11 -0.85 0.95 0.00 0.00 175.26 176.26 2da3 n GLU 13 N -0.85 1.56 -2.04 -4.83 0.00 -1.26 -4.85 120.64 108.37 2da3 n GLU 13 Ca -0.05 0.56 -0.39 0.00 0.00 0.00 0.00 57.16 57.28 2da3 n GLU 13 Cb 0.67 -2.18 -0.03 0.00 0.00 0.00 0.00 31.44 29.90 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 -2.11 2.68 0.29 3.44 0.04 -1.26 -4.86 135.00 133.21 2da3 s PRO 14 Ca 0.63 0.67 -0.03 0.00 0.04 0.00 0.00 61.00 62.31 2da3 s PRO 14 Cb -0.54 -4.37 0.61 0.00 0.04 0.00 0.00 34.50 30.24 2da3 s PRO 14 CO 0.57 -2.67 1.58 1.96 0.04 0.00 0.00 177.00 178.48 2da3 h GLN 15 N 14.80 0.03 -6.75 4.56 4.20 -2.07 -3.40 115.11 126.47 2da3 h GLN 15 Ca -0.26 -0.00 -0.57 0.00 0.06 0.00 0.00 58.65 57.87 2da3 h GLN 15 Cb 1.16 -0.01 0.13 0.00 0.30 0.00 0.00 27.48 29.06 2da3 h GLN 15 CO 1.21 0.02 0.36 -2.13 -0.67 0.00 0.00 178.83 177.62 2da3 n ARG 16 N -5.49 1.70 -4.01 1.46 0.63 -1.26 -5.00 116.66 104.69 2da3 n ARG 16 Ca 0.19 0.61 -0.30 0.00 -0.92 0.00 0.00 57.85 57.43 2da3 n ARG 16 Cb 0.63 -2.24 -0.16 0.00 0.45 0.00 0.00 32.46 31.14 2da3 n ARG 16 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 2da3 s ASP 17 N -0.61 2.81 -0.22 6.15 -4.77 -1.26 -4.99 116.67 113.78 2da3 s ASP 17 Ca 0.62 -0.56 -0.05 0.00 -3.30 0.00 0.00 52.55 49.25 2da3 s ASP 17 Cb -0.53 -1.18 -0.12 0.00 -1.09 0.00 0.00 42.92 40.00 2da3 s ASP 17 CO 0.58 -0.08 -0.24 1.17 0.70 0.00 0.00 175.17 177.30 2da3 n LYS 18 N 4.76 0.50 0.27 2.11 4.81 -1.26 -4.43 118.16 124.92 2da3 n LYS 18 Ca -0.16 0.17 0.18 0.00 -0.87 0.00 0.00 58.31 57.62 2da3 n LYS 18 Cb 0.49 -1.36 0.94 0.00 0.02 0.00 0.00 35.03 35.12 2da3 n LYS 18 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2da3 h ARG 19 N -0.43 0.00 -5.94 1.64 2.43 -1.94 -3.38 114.38 106.77 2da3 h ARG 19 Ca -0.52 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.03 2da3 h ARG 19 Cb 1.61 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 31.04 2da3 h ARG 19 CO -0.22 0.00 0.47 -0.51 -1.51 0.00 0.00 179.97 178.20 2da3 s LEU 20 N -7.07 4.14 0.06 3.80 2.01 -1.26 -4.71 118.68 115.65 2da3 s LEU 20 Ca -0.05 -0.06 -0.07 0.00 0.01 0.00 0.00 54.13 53.97 2da3 s LEU 20 Cb 0.14 -3.04 -0.01 0.00 0.01 0.00 0.00 46.19 43.29 2da3 s LEU 20 CO 0.48 -1.01 0.13 -0.13 1.01 0.00 0.00 176.35 176.83 2da3 s ARG 21 N 3.56 0.71 0.50 1.70 0.52 -1.26 -5.00 118.95 119.68 2da3 s ARG 21 Ca 0.33 -0.88 0.29 0.00 -0.52 0.00 0.00 55.73 54.95 2da3 s ARG 21 Cb -0.11 0.28 1.22 0.00 0.52 0.00 0.00 34.95 36.86 2da3 s ARG 21 CO 0.24 -0.20 1.94 0.00 0.02 0.00 0.00 175.30 177.30 2da3 h THR 22 N 3.20 0.33 -3.29 0.02 1.03 -1.97 -3.37 112.91 108.86 2da3 h THR 22 Ca -0.33 -0.77 -0.46 0.00 -0.01 0.00 0.00 66.41 64.84 2da3 h THR 22 Cb 1.18 1.58 0.11 0.00 -1.07 0.00 0.00 68.15 69.96 2da3 h THR 22 CO 0.55 0.12 0.26 0.42 -0.01 0.00 0.00 175.52 176.85 2da3 s THR 23 N -3.76 2.12 0.17 0.00 -4.23 -1.26 -4.95 115.64 103.73 2da3 s THR 23 Ca 0.00 -0.28 0.08 0.00 -1.18 0.00 0.00 61.69 60.30 2da3 s THR 23 Cb 0.10 -2.84 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 2da3 s THR 23 CO 0.59 0.00 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.87 2da3 s ILE 24 N -3.45 1.69 0.16 2.99 1.01 -1.26 -4.88 121.20 117.46 2da3 s ILE 24 Ca 0.67 -1.97 0.06 0.00 0.00 0.00 0.00 60.65 59.42 2da3 s ILE 24 Cb -0.06 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 2da3 s ILE 24 CO 0.48 -0.42 0.08 0.42 0.00 0.00 0.00 174.94 175.50 2da3 s THR 25 N -2.35 4.20 -0.53 2.92 -4.23 -1.26 -5.01 115.64 109.38 2da3 s THR 25 Ca 0.16 -1.20 0.23 0.00 -1.18 0.00 0.00 61.69 59.70 2da3 s THR 25 Cb -0.04 -3.13 0.23 0.00 1.34 0.00 0.00 72.50 70.91 2da3 s THR 25 CO 0.06 -0.10 1.68 -0.81 -0.54 0.00 0.00 174.62 174.91 2da3 n PRO 26 N -0.23 0.17 0.03 3.99 -0.04 -1.26 -1.94 135.00 135.73 2da3 n PRO 26 Ca -0.09 0.41 0.11 0.00 -0.04 0.00 0.00 63.50 63.89 2da3 n PRO 26 Cb 0.55 -1.84 -0.11 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 -2.16 0.64 0.02 0.54 1.02 -1.26 -4.30 120.64 115.13 2da3 n GLU 27 Ca 0.02 -0.07 -0.16 0.00 -0.02 0.00 0.00 57.16 56.93 2da3 n GLU 27 Cb 0.22 -1.64 -0.14 0.00 -0.02 0.00 0.00 31.44 29.86 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 0.19 -0.25 3.49 4.20 -1.80 -3.38 115.11 117.55 2da3 h GLN 28 Ca -0.01 -0.32 0.06 0.00 0.06 0.00 0.00 58.65 58.44 2da3 h GLN 28 Cb 1.02 0.12 -0.07 0.00 0.30 0.00 0.00 27.48 28.84 2da3 h GLN 28 CO 0.00 0.98 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.74 2da3 h LEU 29 N 0.05 -1.05 -0.72 1.46 3.38 -1.58 -1.97 115.31 114.89 2da3 h LEU 29 Ca -0.32 0.17 0.12 0.00 0.09 0.00 0.00 57.88 57.93 2da3 h LEU 29 Cb 2.02 0.46 -0.12 0.00 0.09 0.00 0.00 40.66 43.12 2da3 h LEU 29 CO 0.11 -0.34 -0.26 -0.62 0.09 0.00 0.00 178.44 177.41 2da3 n GLU 30 N -5.41 -0.15 -0.22 1.13 1.02 -1.26 0.20 120.64 115.95 2da3 n GLU 30 Ca -0.01 1.11 -0.04 0.00 -0.02 0.00 0.00 57.16 58.19 2da3 n GLU 30 Cb 0.33 -1.65 0.06 0.00 -0.02 0.00 0.00 31.44 30.17 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 1.07 0.04 -3.67 2.04 -1.59 -0.47 117.51 114.93 2da3 h ILE 31 Ca 0.27 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 2da3 h ILE 31 Cb 0.45 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2da3 h ILE 31 CO -0.72 0.14 -0.02 -0.07 0.00 0.00 0.00 178.15 177.48 2da3 h LEU 32 N 0.74 -0.05 -0.52 1.44 3.38 0.24 -0.74 115.31 119.80 2da3 h LEU 32 Ca 0.25 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.14 2da3 h LEU 32 Cb 0.04 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2da3 h LEU 32 CO -0.11 0.11 0.24 1.88 0.09 0.00 0.00 178.44 180.65 2da3 h TYR 33 N -0.20 0.44 -0.39 1.13 0.05 -0.26 0.20 116.97 117.94 2da3 h TYR 33 Ca -0.01 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 2da3 h TYR 33 Cb 0.18 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 2da3 h TYR 33 CO -0.03 0.19 0.20 1.96 -1.05 0.00 0.00 178.16 179.44 2da3 h GLN 34 N 0.47 0.55 0.00 4.88 1.08 -0.97 0.99 115.11 122.11 2da3 h GLN 34 Ca 0.24 -0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.31 2da3 h GLN 34 Cb 0.19 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2da3 h GLN 34 CO -0.19 0.47 -0.26 0.87 -0.95 0.00 0.00 178.83 178.77 2da3 h LYS 35 N 0.50 0.00 0.02 1.46 1.79 -0.60 -2.91 116.57 116.83 2da3 h LYS 35 Ca 0.14 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2da3 h LYS 35 Cb 0.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 2da3 h LYS 35 CO -0.02 0.26 -0.01 -0.92 -1.08 0.00 0.00 179.45 177.68 2da3 h TYR 36 N 0.00 -0.03 -0.98 -1.35 3.20 -0.03 0.20 116.97 117.98 2da3 h TYR 36 Ca -0.00 -0.00 0.24 0.00 3.14 0.00 0.00 58.73 62.11 2da3 h TYR 36 Cb 0.56 0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.76 2da3 h TYR 36 CO 0.00 0.69 0.65 -0.07 -1.64 0.00 0.00 178.16 177.79 2da3 h LEU 37 N -0.90 0.38 0.06 2.82 3.38 -0.78 -0.62 115.31 119.65 2da3 h LEU 37 Ca -0.00 0.05 -0.33 0.00 0.09 0.00 0.00 57.88 57.69 2da3 h LEU 37 Cb 0.74 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2da3 h LEU 37 CO 0.01 0.11 -1.88 0.00 0.09 0.00 0.00 178.44 176.77 2da3 n LEU 38 N -4.52 1.79 -3.66 1.67 -0.00 -1.10 -4.77 117.00 106.40 2da3 n LEU 38 Ca 0.22 0.30 -0.29 0.00 -0.00 0.00 0.00 56.01 56.23 2da3 n LEU 38 Cb 0.83 -0.50 -0.15 0.00 -0.00 0.00 0.00 43.42 43.60 2da3 n LEU 38 CO 0.30 0.64 -0.33 -0.62 -0.00 0.00 0.00 177.39 177.37 2da3 s ASP 39 N -6.57 3.83 -0.01 1.45 2.15 0.70 -4.95 116.67 113.28 2da3 s ASP 39 Ca -0.14 -1.54 0.20 0.00 0.43 0.00 0.00 52.55 51.51 2da3 s ASP 39 Cb 0.07 -0.67 -0.26 0.00 -0.30 0.00 0.00 42.92 41.75 2da3 s ASP 39 CO 0.79 -0.42 0.68 -1.20 -0.17 0.00 0.00 175.17 174.86 2da3 n SER 40 N 4.96 0.64 -2.30 -0.34 7.64 -0.90 -3.86 113.62 119.46 2da3 n SER 40 Ca -0.03 -0.55 -0.28 0.00 1.01 0.00 0.00 58.87 59.02 2da3 n SER 40 Cb 0.42 1.41 0.02 0.00 -1.01 0.00 0.00 64.21 65.05 2da3 n SER 40 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2da3 n ASN 41 N -1.80 5.33 -4.77 6.43 4.05 -1.26 -4.95 115.26 118.29 2da3 n ASN 41 Ca 0.01 -3.75 -0.31 0.00 0.45 0.00 0.00 54.58 50.97 2da3 n ASN 41 Cb 0.41 -0.51 0.09 0.00 1.23 0.00 0.00 39.78 41.00 2da3 n ASN 41 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2da3 s PRO 42 N -3.64 2.27 0.28 1.20 0.04 -1.26 -5.06 135.00 128.83 2da3 s PRO 42 Ca 0.51 1.18 0.07 0.00 0.04 0.00 0.00 61.00 62.80 2da3 s PRO 42 Cb 0.42 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 33.03 2da3 s PRO 42 CO -0.09 -1.64 0.22 -0.08 0.04 0.00 0.00 177.00 175.45 2da3 s THR 43 N -2.88 4.03 0.27 1.26 -1.32 -1.26 -4.89 115.64 110.85 2da3 s THR 43 Ca 0.61 -1.43 0.14 0.00 -1.21 0.00 0.00 61.69 59.80 2da3 s THR 43 Cb -0.17 -3.28 0.27 0.00 -1.51 0.00 0.00 72.50 67.81 2da3 s THR 43 CO 0.56 -0.28 1.20 -1.14 -2.21 0.00 0.00 174.62 172.74 2da3 n ARG 44 N -1.23 -0.05 0.23 7.08 3.00 -1.26 0.58 116.66 125.01 2da3 n ARG 44 Ca -0.05 1.06 -0.17 0.00 -0.00 0.00 0.00 57.85 58.69 2da3 n ARG 44 Cb 0.59 -1.87 -0.09 0.00 0.00 0.00 0.00 32.46 31.09 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 -0.83 0.22 -0.14 1.63 -1.99 -0.66 116.57 114.79 2da3 h LYS 45 Ca 0.62 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.48 2da3 h LYS 45 Cb 1.59 0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 33.39 2da3 h LYS 45 CO -0.61 -0.56 -0.22 0.52 -3.45 0.00 0.00 179.45 175.14 2da3 h MET 46 N -0.87 -0.45 -0.65 1.90 2.86 -0.24 -1.24 114.93 116.25 2da3 h MET 46 Ca -0.03 0.03 0.19 0.00 -2.06 0.00 0.00 59.70 57.83 2da3 h MET 46 Cb 0.79 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.53 2da3 h MET 46 CO -0.12 -0.30 0.63 -0.07 1.06 0.00 0.00 176.91 178.11 2da3 h LEU 47 N -0.47 0.00 0.00 1.22 3.38 -1.21 0.11 115.31 118.35 2da3 h LEU 47 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2da3 h LEU 47 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2da3 h LEU 47 CO -0.05 0.00 -0.21 -0.78 0.09 0.00 0.00 178.44 177.49 2da3 h ASP 48 N 0.00 0.18 0.46 -0.43 1.82 0.06 -2.97 116.42 115.53 2da3 h ASP 48 Ca 0.31 -0.80 -0.02 0.00 -0.39 0.00 0.00 57.03 56.13 2da3 h ASP 48 Cb 1.56 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.52 2da3 h ASP 48 CO -0.00 0.96 -0.22 -0.74 -1.61 0.00 0.00 179.24 177.63 2da3 h HIS 49 N -0.58 -0.57 -0.88 0.28 2.76 -0.29 -2.54 115.15 113.34 2da3 h HIS 49 Ca -0.03 -0.01 0.22 0.00 -2.20 0.00 0.00 60.37 58.35 2da3 h HIS 49 Cb 0.99 0.19 -0.13 0.00 1.55 0.00 0.00 27.41 30.02 2da3 h HIS 49 CO 0.19 -0.25 0.35 0.82 -1.30 0.00 0.00 177.93 177.74 2da3 h ILE 50 N -0.90 0.45 0.00 6.26 2.04 -1.06 1.01 117.51 125.31 2da3 h ILE 50 Ca -0.06 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 2da3 h ILE 50 Cb 0.58 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2da3 h ILE 50 CO 0.10 0.07 -0.11 0.00 0.00 0.00 0.00 178.15 178.21 2da3 h ALA 51 N 1.71 1.13 0.02 1.87 0.00 -1.47 0.96 119.26 123.48 2da3 h ALA 51 Ca 0.54 -0.10 -0.26 0.00 0.00 0.00 0.00 54.91 55.09 2da3 h ALA 51 Cb 1.04 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 2da3 h ALA 51 CO -0.55 0.14 -1.39 1.25 0.00 0.00 0.00 179.25 178.70 2da3 h HIS 52 N 0.00 0.06 0.10 0.00 -0.00 0.14 -2.17 115.15 113.27 2da3 h HIS 52 Ca -0.00 -0.04 -0.29 0.00 -0.00 0.00 0.00 60.37 60.04 2da3 h HIS 52 Cb 0.44 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.84 2da3 h HIS 52 CO 0.00 1.06 -1.42 1.05 -0.00 0.00 0.00 177.93 178.61 2da3 h GLU 53 N 0.01 0.20 0.00 5.26 4.11 -0.45 -3.30 114.58 120.41 2da3 h GLU 53 Ca -0.17 -0.35 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2da3 h GLU 53 Cb 1.91 0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.29 2da3 h GLU 53 CO 0.11 1.07 -0.06 0.28 0.07 0.00 0.00 179.01 180.48 2da3 h VAL 54 N 0.06 0.00 -2.53 -1.06 2.07 -0.95 -3.48 116.25 110.36 2da3 h VAL 54 Ca -0.20 -0.86 -0.16 0.00 0.82 0.00 0.00 66.70 66.31 2da3 h VAL 54 Cb 1.98 1.83 0.04 0.00 -1.52 0.00 0.00 31.29 33.62 2da3 h VAL 54 CO 0.16 0.00 -0.25 0.61 0.02 0.00 0.00 177.57 178.11 2da3 n GLY 55 N 1.16 0.31 3.39 2.17 0.00 -1.04 -4.90 105.19 106.28 2da3 n GLY 55 Ca 0.04 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.22 2.53 -0.01 0.99 2.96 -0.85 -4.63 118.68 116.46 2da3 s LEU 56 Ca 0.18 -1.08 -0.34 0.00 -0.22 0.00 0.00 54.13 52.67 2da3 s LEU 56 Cb -0.08 -0.70 -0.13 0.00 0.50 0.00 0.00 46.19 45.79 2da3 s LEU 56 CO 0.22 -0.21 1.76 0.29 -1.32 0.00 0.00 176.35 177.09 2da3 n LYS 57 N -0.47 2.11 -0.15 1.98 4.76 -1.26 -4.61 118.16 120.51 2da3 n LYS 57 Ca -0.07 0.77 -0.05 0.00 -2.87 0.00 0.00 58.31 56.09 2da3 n LYS 57 Cb 0.61 -2.58 0.01 0.00 -1.84 0.00 0.00 35.03 31.24 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 7.92 -0.16 -0.08 1.97 3.11 -1.90 0.42 116.57 127.85 2da3 h LYS 58 Ca -0.47 0.01 0.04 0.00 -2.81 0.00 0.00 60.65 57.42 2da3 h LYS 58 Cb 1.27 0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 32.49 2da3 h LYS 58 CO 0.92 -0.11 -0.18 -0.09 -2.81 0.00 0.00 179.45 177.19 2da3 h ARG 59 N -0.17 -0.24 -0.93 1.90 9.65 -1.92 0.24 114.38 122.91 2da3 h ARG 59 Ca 0.21 0.02 0.13 0.00 -1.10 0.00 0.00 59.98 59.24 2da3 h ARG 59 Cb 0.51 0.05 -0.09 0.00 -1.39 0.00 0.00 29.97 29.06 2da3 h ARG 59 CO -0.57 -0.16 0.55 0.28 2.80 0.00 0.00 179.97 182.87 2da3 h VAL 60 N -0.25 0.85 -0.21 0.20 2.07 -1.66 0.73 116.25 118.00 2da3 h VAL 60 Ca 0.08 -0.29 -0.16 0.00 0.82 0.00 0.00 66.70 67.15 2da3 h VAL 60 Cb 0.36 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 2da3 h VAL 60 CO -0.23 0.15 -0.53 0.58 0.02 0.00 0.00 177.57 177.57 2da3 h VAL 61 N 0.85 1.31 -0.58 2.57 2.07 -0.12 0.13 116.25 122.48 2da3 h VAL 61 Ca 0.48 -1.76 -0.10 0.00 0.82 0.00 0.00 66.70 66.13 2da3 h VAL 61 Cb 0.54 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 2da3 h VAL 61 CO -0.29 0.55 -0.04 -0.61 0.02 0.00 0.00 177.57 177.20 2da3 h GLN 62 N 0.47 1.05 0.09 1.57 4.15 0.86 -3.09 115.11 120.21 2da3 h GLN 62 Ca 0.01 -0.35 -0.25 0.00 0.77 0.00 0.00 58.65 58.83 2da3 h GLN 62 Cb 1.08 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.68 2da3 h GLN 62 CO 0.10 1.05 -1.16 0.28 -1.93 0.00 0.00 178.83 177.17 2da3 h VAL 63 N 0.94 1.56 0.00 2.39 2.07 -0.88 -3.20 116.25 119.12 2da3 h VAL 63 Ca 0.16 -3.13 0.00 0.00 0.82 0.00 0.00 66.70 64.55 2da3 h VAL 63 Cb 0.60 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 2da3 h VAL 63 CO 0.04 0.91 0.11 -0.25 0.02 0.00 0.00 177.57 178.39 2da3 h TRP 64 N 0.06 0.00 0.07 1.57 7.01 -0.66 -0.10 115.95 123.89 2da3 h TRP 64 Ca -0.10 0.00 -0.35 0.00 2.11 0.00 0.00 58.89 60.55 2da3 h TRP 64 Cb 1.90 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 28.92 2da3 h TRP 64 CO 0.05 0.00 -1.97 1.19 -2.79 0.00 0.00 178.44 174.92 2da3 n PHE 65 N -2.45 0.89 0.15 2.65 3.01 -1.20 -3.42 117.46 117.09 2da3 n PHE 65 Ca -0.02 0.24 0.01 0.00 1.01 0.00 0.00 57.45 58.69 2da3 n PHE 65 Cb 0.15 -1.11 0.33 0.00 -0.01 0.00 0.00 39.48 38.84 2da3 n PHE 65 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 2da3 h GLN 66 N -0.27 0.12 -0.07 -1.08 3.07 -1.31 -2.69 115.11 112.88 2da3 h GLN 66 Ca -0.46 -0.04 -0.24 0.00 0.09 0.00 0.00 58.65 58.00 2da3 h GLN 66 Cb 1.82 -0.01 0.02 0.00 0.08 0.00 0.00 27.48 29.39 2da3 h GLN 66 CO -0.05 0.43 -0.89 -0.91 0.09 0.00 0.00 178.83 177.50 2da3 h ASN 67 N 0.10 0.90 -0.17 0.06 2.35 -1.24 -3.09 115.58 114.50 2da3 h ASN 67 Ca 0.01 -0.69 0.01 0.00 -0.55 0.00 0.00 56.30 55.08 2da3 h ASN 67 Cb 0.63 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2da3 h ASN 67 CO 0.05 1.46 0.09 0.74 -1.65 0.00 0.00 177.43 178.11 2da3 h THR 68 N 0.42 1.01 -0.31 2.81 2.02 -1.54 -2.26 112.91 115.06 2da3 h THR 68 Ca -0.09 -0.06 0.05 0.00 0.77 0.00 0.00 66.41 67.08 2da3 h THR 68 Cb 1.54 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 68.70 2da3 h THR 68 CO 0.18 0.03 0.03 0.03 0.37 0.00 0.00 175.52 176.16 2da3 h ARG 69 N 0.19 0.12 -0.45 6.66 3.08 -1.56 0.99 114.38 123.41 2da3 h ARG 69 Ca 0.07 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.19 2da3 h ARG 69 Cb 0.01 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 29.96 2da3 h ARG 69 CO -0.04 0.08 0.06 0.00 -1.07 0.00 0.00 179.97 179.00 2da3 h ALA 70 N 1.25 0.47 -0.63 0.04 0.00 -1.42 -0.48 119.26 118.49 2da3 h ALA 70 Ca 0.15 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2da3 h ALA 70 Cb 0.18 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2da3 h ALA 70 CO -0.23 -0.34 0.08 0.00 0.00 0.00 0.00 179.25 178.76 2da3 h ARG 71 N 0.18 1.06 -0.96 0.00 3.08 -0.86 -2.40 114.38 114.49 2da3 h ARG 71 Ca 0.22 -0.30 0.02 0.00 0.07 0.00 0.00 59.98 60.00 2da3 h ARG 71 Cb 0.30 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 2da3 h ARG 71 CO -0.32 1.00 0.63 0.93 -1.07 0.00 0.00 179.97 181.14 2da3 h GLU 72 N 0.97 1.22 0.00 0.04 4.39 0.06 -0.22 114.58 121.04 2da3 h GLU 72 Ca 0.19 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2da3 h GLU 72 Cb 0.47 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2da3 h GLU 72 CO 0.02 0.81 0.00 2.89 -1.16 0.00 0.00 179.01 181.56 2da3 n ARG 73 N -4.45 0.05 -2.71 2.33 1.85 -0.27 -4.76 116.66 108.70 2da3 n ARG 73 Ca 0.12 0.13 -0.42 0.00 -1.00 0.00 0.00 57.85 56.68 2da3 n ARG 73 Cb 0.05 -1.56 -0.03 0.00 -1.05 0.00 0.00 32.46 29.87 2da3 n ARG 73 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2da3 s LYS 74 N -3.03 4.56 0.06 2.89 2.20 -0.10 -4.97 119.74 121.35 2da3 s LYS 74 Ca 0.11 1.43 -0.34 0.00 -0.36 0.00 0.00 55.97 56.80 2da3 s LYS 74 Cb 0.15 -3.45 -0.20 0.00 -1.51 0.00 0.00 37.83 32.82 2da3 s LYS 74 CO 0.45 -0.04 1.59 0.77 -0.36 0.00 0.00 175.35 177.75 2da3 h SER 75 N 6.75 -0.90 -3.95 1.43 0.02 -1.86 -3.49 113.55 111.56 2da3 h SER 75 Ca -0.41 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 60.61 2da3 h SER 75 Cb 1.22 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.97 2da3 h SER 75 CO 0.75 -0.63 -0.20 0.61 -1.14 0.00 0.00 176.83 176.22 2da3 n GLY 76 N -1.50 -2.80 0.23 -3.77 0.00 -1.26 -4.55 105.19 91.54 2da3 n GLY 76 Ca -0.15 -1.35 -0.08 0.00 0.00 0.00 0.00 46.02 44.44 2da3 n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2da3 h PRO 77 N -0.18 0.61 -6.30 1.61 0.13 -2.04 -3.45 132.00 122.37 2da3 h PRO 77 Ca -0.03 -0.32 -0.45 0.00 -0.87 0.00 0.00 66.00 64.33 2da3 h PRO 77 Cb 0.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.36 2da3 h PRO 77 CO 0.01 0.92 -0.35 0.45 -0.23 0.00 0.00 178.00 178.79 2da3 s SER 78 N -6.86 6.13 0.24 1.44 0.15 -1.26 -5.05 113.70 108.49 2da3 s SER 78 Ca -0.08 -0.01 -0.31 0.00 0.70 0.00 0.00 55.95 56.25 2da3 s SER 78 Cb 0.12 -1.57 -0.12 0.00 -1.71 0.00 0.00 66.02 62.74 2da3 s SER 78 CO 0.83 -0.29 1.68 -0.94 1.20 0.00 0.00 173.24 175.72 2da3 s SER 79 N -4.09 6.38 0.00 5.45 1.04 -1.26 -5.05 113.70 116.17 2da3 s SER 79 Ca 0.40 2.90 0.00 0.00 0.48 0.00 0.00 55.95 59.73 2da3 s SER 79 Cb -0.09 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.41 2da3 s SER 79 CO 0.31 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.19