#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 5.39 0.05 1.61 0.01 -1.26 -5.07 113.70 114.43 2da3 s SER 2 Ca 0.00 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.84 2da3 s SER 2 Cb 0.00 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.75 2da3 s SER 2 CO 0.00 -1.02 0.00 -0.24 0.41 0.00 0.00 173.24 172.39 2da3 n SER 3 N -2.09 0.45 0.00 2.44 2.88 -1.26 -5.17 113.62 110.87 2da3 n SER 3 Ca 0.10 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 2da3 n SER 3 Cb 0.60 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2da3 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2da3 n GLY 4 N 3.11 3.00 3.51 0.46 0.00 -1.26 -5.15 105.19 108.87 2da3 n GLY 4 Ca 0.00 -1.64 0.01 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.31 0.36 1.61 1.04 -1.26 -5.18 113.70 109.95 2da3 s SER 5 Ca 0.00 0.47 0.06 0.00 0.48 0.00 0.00 55.95 56.96 2da3 s SER 5 Cb 0.00 1.23 -0.07 0.00 0.10 0.00 0.00 66.02 67.28 2da3 s SER 5 CO 0.00 -0.07 0.02 -0.44 0.98 0.00 0.00 173.24 173.73 2da3 s SER 6 N 1.61 3.12 0.28 7.02 0.01 -1.26 -5.16 113.70 119.33 2da3 s SER 6 Ca -0.06 -1.35 -0.19 0.00 1.31 0.00 0.00 55.95 55.66 2da3 s SER 6 Cb -0.03 -0.24 0.07 0.00 0.21 0.00 0.00 66.02 66.02 2da3 s SER 6 CO -0.14 -0.50 0.92 -0.83 0.41 0.00 0.00 173.24 173.10 2da3 s GLY 7 N -3.59 0.24 0.00 3.44 0.00 -1.26 -5.13 107.32 101.02 2da3 s GLY 7 Ca 0.35 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.54 2da3 s GLY 7 CO 0.16 1.11 0.00 0.61 0.00 0.00 0.00 173.10 174.99 2da3 n GLY 8 N -0.62 3.32 0.09 0.20 0.00 -1.26 -5.09 105.19 101.84 2da3 n GLY 8 Ca -0.06 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 2da3 n GLY 8 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2da3 n THR 9 N 0.00 1.49 -3.43 2.61 -1.04 -1.26 -4.66 114.28 107.99 2da3 n THR 9 Ca 0.00 0.06 -0.42 0.00 -2.04 0.00 0.00 64.05 61.65 2da3 n THR 9 Cb 0.00 -2.18 -0.02 0.00 -1.82 0.00 0.00 70.33 66.31 2da3 n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2da3 n GLY 10 N 1.50 4.24 2.12 3.41 0.00 -1.26 -4.64 105.19 110.55 2da3 n GLY 10 Ca -0.23 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.19 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 2.46 -1.66 3.75 -0.02 0.00 -1.26 -5.14 105.19 103.32 2da3 n GLY 11 Ca 0.23 0.36 -0.33 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.52 2.47 0.04 1.61 2.12 -1.26 -5.05 118.70 117.11 2da3 s GLU 12 Ca 0.00 1.50 0.08 0.00 0.36 0.00 0.00 54.97 56.90 2da3 s GLU 12 Cb 0.00 -1.90 -0.03 0.00 0.26 0.00 0.00 34.13 32.46 2da3 s GLU 12 CO 0.00 -1.53 -0.21 -2.00 -0.54 0.00 0.00 175.26 170.99 2da3 s GLU 13 N -4.12 1.98 1.01 4.30 2.12 -1.26 -5.10 118.70 117.63 2da3 s GLU 13 Ca 0.69 -1.03 -0.12 0.00 0.36 0.00 0.00 54.97 54.87 2da3 s GLU 13 Cb -0.23 -2.12 0.20 0.00 0.26 0.00 0.00 34.13 32.24 2da3 s GLU 13 CO 0.44 0.53 1.09 -1.25 -0.54 0.00 0.00 175.26 175.54 2da3 s PRO 14 N -1.38 0.31 -1.65 4.30 0.04 -1.26 -3.86 135.00 131.51 2da3 s PRO 14 Ca 0.14 0.49 -0.14 0.00 0.04 0.00 0.00 61.00 61.53 2da3 s PRO 14 Cb -0.10 -1.73 0.12 0.00 0.04 0.00 0.00 34.50 32.83 2da3 s PRO 14 CO 0.04 -2.80 0.63 1.04 0.04 0.00 0.00 177.00 175.95 2da3 n GLN 15 N -4.22 -2.78 -4.03 4.56 6.02 -1.26 -4.92 117.38 110.75 2da3 n GLN 15 Ca 0.05 0.33 -0.31 0.00 -0.01 0.00 0.00 57.00 57.06 2da3 n GLN 15 Cb 0.57 -4.82 -0.15 0.00 1.02 0.00 0.00 30.24 26.87 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 -6.92 1.67 -0.42 -1.09 3.52 -1.25 -5.08 118.95 109.38 2da3 s ARG 16 Ca 0.53 -1.72 -0.23 0.00 -0.13 0.00 0.00 55.73 54.18 2da3 s ARG 16 Cb -0.29 -3.10 0.02 0.00 -1.56 0.00 0.00 34.95 30.02 2da3 s ARG 16 CO 0.94 -0.84 0.80 -0.51 -0.81 0.00 0.00 175.30 174.87 2da3 s ASP 17 N 0.97 6.46 -0.21 -2.12 1.01 -1.26 -4.89 116.67 116.63 2da3 s ASP 17 Ca 0.06 0.06 -0.13 0.00 0.71 0.00 0.00 52.55 53.24 2da3 s ASP 17 Cb -0.19 -2.39 -0.09 0.00 1.01 0.00 0.00 42.92 41.26 2da3 s ASP 17 CO -0.07 -0.87 -0.31 1.17 0.21 0.00 0.00 175.17 175.29 2da3 n LYS 18 N 6.66 0.50 0.09 8.23 4.81 -1.26 -4.42 118.16 132.78 2da3 n LYS 18 Ca 0.03 0.21 0.17 0.00 -0.87 0.00 0.00 58.31 57.86 2da3 n LYS 18 Cb 0.48 -1.35 0.48 0.00 0.02 0.00 0.00 35.03 34.66 2da3 n LYS 18 CO 0.00 0.00 0.00 0.07 1.17 0.00 0.00 177.40 178.64 2da3 h ARG 19 N -0.88 0.00 -5.33 1.64 0.11 -1.92 -3.34 114.38 104.66 2da3 h ARG 19 Ca -0.42 0.00 -0.65 0.00 0.10 0.00 0.00 59.98 59.01 2da3 h ARG 19 Cb 1.33 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 32.26 2da3 h ARG 19 CO -0.26 0.00 0.05 -0.51 0.10 0.00 0.00 179.97 179.35 2da3 s LEU 20 N -6.22 4.40 0.08 0.08 1.43 -1.26 -4.71 118.68 112.47 2da3 s LEU 20 Ca -0.03 -0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 2da3 s LEU 20 Cb 0.10 -2.67 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 2da3 s LEU 20 CO 0.34 -0.61 -0.14 -0.60 0.23 0.00 0.00 176.35 175.58 2da3 s ARG 21 N 2.59 0.86 0.08 1.70 3.52 -1.26 -4.91 118.95 121.53 2da3 s ARG 21 Ca 0.21 -1.03 -0.30 0.00 -0.13 0.00 0.00 55.73 54.48 2da3 s ARG 21 Cb -0.15 -0.81 -0.16 0.00 -1.56 0.00 0.00 34.95 32.28 2da3 s ARG 21 CO 0.15 0.17 1.64 1.79 -0.81 0.00 0.00 175.30 178.25 2da3 h THR 22 N 4.08 0.44 -2.95 4.11 1.35 -1.96 -3.38 112.91 114.60 2da3 h THR 22 Ca -0.40 0.00 -0.39 0.00 -0.55 0.00 0.00 66.41 65.06 2da3 h THR 22 Cb 1.19 0.44 0.22 0.00 -1.73 0.00 0.00 68.15 68.27 2da3 h THR 22 CO 0.43 0.00 -0.16 0.35 -0.25 0.00 0.00 175.52 175.89 2da3 n THR 23 N -5.40 0.00 -4.32 6.82 -2.24 -1.26 -4.94 114.28 102.93 2da3 n THR 23 Ca -0.11 -0.25 -0.21 0.00 -2.27 0.00 0.00 64.05 61.21 2da3 n THR 23 Cb 0.30 -0.96 -0.11 0.00 -2.10 0.00 0.00 70.33 67.46 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 -2.24 1.75 0.16 2.28 1.01 -1.26 -4.96 121.20 117.95 2da3 s ILE 24 Ca 0.66 -1.90 0.05 0.00 0.00 0.00 0.00 60.65 59.46 2da3 s ILE 24 Cb -0.18 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 2da3 s ILE 24 CO 0.60 -0.34 0.16 0.42 0.00 0.00 0.00 174.94 175.79 2da3 s THR 25 N -2.09 4.60 -0.62 2.92 -4.23 -1.26 -5.00 115.64 109.96 2da3 s THR 25 Ca 0.15 -1.04 0.21 0.00 -1.18 0.00 0.00 61.69 59.83 2da3 s THR 25 Cb -0.05 -3.35 0.21 0.00 1.34 0.00 0.00 72.50 70.64 2da3 s THR 25 CO 0.06 -0.11 1.64 -0.81 -0.54 0.00 0.00 174.62 174.86 2da3 n PRO 26 N -0.40 0.14 0.00 3.99 -0.04 -1.26 -2.07 135.00 135.36 2da3 n PRO 26 Ca -0.08 0.38 0.05 0.00 -0.04 0.00 0.00 63.50 63.81 2da3 n PRO 26 Cb 0.55 -1.77 -0.12 0.00 -0.04 0.00 0.00 33.50 32.12 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 -2.04 0.65 0.09 0.54 -0.58 -1.26 -4.29 120.64 113.75 2da3 n GLU 27 Ca 0.02 -0.02 -0.23 0.00 -0.42 0.00 0.00 57.16 56.52 2da3 n GLU 27 Cb 0.21 -1.64 -0.15 0.00 -0.57 0.00 0.00 31.44 29.29 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 0.42 -0.24 3.49 4.20 -1.84 -3.37 115.11 117.76 2da3 h GLN 28 Ca -0.13 -0.71 0.06 0.00 0.06 0.00 0.00 58.65 57.92 2da3 h GLN 28 Cb 1.35 0.27 -0.08 0.00 0.30 0.00 0.00 27.48 29.32 2da3 h GLN 28 CO 0.01 1.33 -0.35 -0.07 -0.67 0.00 0.00 178.83 179.08 2da3 h LEU 29 N 0.11 -1.14 -0.71 1.46 3.38 -1.61 -2.01 115.31 114.80 2da3 h LEU 29 Ca -0.32 0.17 0.11 0.00 0.09 0.00 0.00 57.88 57.93 2da3 h LEU 29 Cb 2.11 0.49 -0.11 0.00 0.09 0.00 0.00 40.66 43.24 2da3 h LEU 29 CO 0.20 -0.36 -0.28 -0.62 0.09 0.00 0.00 178.44 177.46 2da3 n GLU 30 N -5.42 -0.17 -0.19 1.13 -0.58 -1.26 0.18 120.64 114.34 2da3 n GLU 30 Ca -0.02 1.09 -0.03 0.00 -0.42 0.00 0.00 57.16 57.79 2da3 n GLU 30 Cb 0.34 -1.62 0.07 0.00 -0.57 0.00 0.00 31.44 29.66 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 0.92 -0.33 -3.67 2.04 -1.57 0.24 117.51 115.14 2da3 h ILE 31 Ca 0.24 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 2da3 h ILE 31 Cb 0.42 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2da3 h ILE 31 CO -0.70 0.10 0.15 -0.07 0.00 0.00 0.00 178.15 177.62 2da3 h LEU 32 N 0.52 0.45 -0.23 1.44 3.38 0.21 -1.07 115.31 120.01 2da3 h LEU 32 Ca 0.26 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2da3 h LEU 32 Cb 0.19 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2da3 h LEU 32 CO -0.19 0.47 0.09 1.88 0.09 0.00 0.00 178.44 180.77 2da3 h TYR 33 N 0.40 0.35 -0.83 1.13 0.05 -0.01 -0.29 116.97 117.78 2da3 h TYR 33 Ca 0.11 -0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.89 2da3 h TYR 33 Cb 0.15 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 37.74 2da3 h TYR 33 CO -0.01 0.39 0.55 1.96 -1.05 0.00 0.00 178.16 180.00 2da3 h GLN 34 N 0.21 1.02 -0.02 4.88 1.08 -0.43 0.21 115.11 122.07 2da3 h GLN 34 Ca 0.08 -0.06 -0.15 0.00 -1.45 0.00 0.00 58.65 57.06 2da3 h GLN 34 Cb 0.19 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 2da3 h GLN 34 CO -0.01 0.68 -0.68 0.87 -0.95 0.00 0.00 178.83 178.74 2da3 h LYS 35 N 1.05 0.10 -0.01 1.46 1.79 -0.93 -3.06 116.57 116.98 2da3 h LYS 35 Ca 0.32 -0.08 -0.08 0.00 -2.18 0.00 0.00 60.65 58.63 2da3 h LYS 35 Cb -0.02 0.02 0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2da3 h LYS 35 CO -0.09 0.74 -0.29 -0.92 -1.08 0.00 0.00 179.45 177.82 2da3 h TYR 36 N 0.07 0.31 -0.90 -1.35 5.03 -0.06 0.35 116.97 120.42 2da3 h TYR 36 Ca -0.01 -0.16 0.15 0.00 2.58 0.00 0.00 58.73 61.29 2da3 h TYR 36 Cb 1.21 -0.04 -0.09 0.00 1.55 0.00 0.00 36.73 39.36 2da3 h TYR 36 CO 0.01 0.95 0.50 -0.07 -1.32 0.00 0.00 178.16 178.23 2da3 h LEU 37 N -0.42 0.64 0.08 2.82 3.38 -0.69 -1.88 115.31 119.24 2da3 h LEU 37 Ca -0.03 0.08 -0.31 0.00 0.09 0.00 0.00 57.88 57.71 2da3 h LEU 37 Cb 1.02 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2da3 h LEU 37 CO 0.06 0.28 -1.63 0.17 0.09 0.00 0.00 178.44 177.41 2da3 h LEU 38 N 0.71 0.26 -6.66 1.67 8.10 -1.59 -3.44 115.31 114.36 2da3 h LEU 38 Ca 0.49 -0.44 -0.33 0.00 0.11 0.00 0.00 57.88 57.71 2da3 h LEU 38 Cb 0.66 -0.09 -0.35 0.00 -0.44 0.00 0.00 40.66 40.45 2da3 h LEU 38 CO -0.35 1.37 -0.64 -0.62 -4.11 0.00 0.00 178.44 174.10 2da3 s ASP 39 N -6.74 1.65 0.00 0.17 2.15 0.12 -4.98 116.67 109.05 2da3 s ASP 39 Ca -0.10 -0.52 0.12 0.00 0.43 0.00 0.00 52.55 52.48 2da3 s ASP 39 Cb 0.07 0.40 0.21 0.00 -0.30 0.00 0.00 42.92 43.30 2da3 s ASP 39 CO 0.83 -0.36 1.07 -1.54 -0.17 0.00 0.00 175.17 175.00 2da3 n SER 40 N 5.31 2.49 -2.38 -0.34 3.41 -0.84 -3.41 113.62 117.86 2da3 n SER 40 Ca -0.04 -1.74 -0.21 0.00 -0.26 0.00 0.00 58.87 56.62 2da3 n SER 40 Cb 0.48 -0.12 0.02 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.64 4.07 -2.99 4.04 3.02 -1.26 -4.99 115.26 117.79 2da3 n ASN 41 Ca 0.10 -3.43 -0.14 0.00 -0.03 0.00 0.00 54.58 51.07 2da3 n ASN 41 Cb 0.37 -0.43 0.12 0.00 -0.61 0.00 0.00 39.78 39.23 2da3 n ASN 41 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2da3 n PRO 42 N -0.52 -2.02 -4.36 3.52 -0.04 -1.26 -5.09 135.00 125.23 2da3 n PRO 42 Ca 0.34 -0.81 -0.18 0.00 -0.04 0.00 0.00 63.50 62.80 2da3 n PRO 42 Cb 0.80 -0.76 -0.10 0.00 -0.04 0.00 0.00 33.50 33.40 2da3 n PRO 42 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2da3 s THR 43 N -1.92 1.41 0.33 0.52 -1.32 -1.26 -4.97 115.64 108.43 2da3 s THR 43 Ca 0.33 -2.11 0.11 0.00 -1.21 0.00 0.00 61.69 58.82 2da3 s THR 43 Cb -0.03 -2.26 0.37 0.00 -1.51 0.00 0.00 72.50 69.07 2da3 s THR 43 CO 0.25 -0.42 1.52 -1.14 -2.21 0.00 0.00 174.62 172.62 2da3 n ARG 44 N -0.44 -0.07 0.04 7.08 3.00 -1.26 0.62 116.66 125.63 2da3 n ARG 44 Ca -0.06 1.39 -0.11 0.00 -0.00 0.00 0.00 57.85 59.07 2da3 n ARG 44 Cb 0.63 -2.35 -0.04 0.00 0.00 0.00 0.00 32.46 30.69 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 -0.18 0.55 -0.14 1.63 -2.00 -1.51 116.57 114.92 2da3 h LYS 45 Ca 0.71 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 60.49 2da3 h LYS 45 Cb 1.70 0.04 0.01 0.00 -0.60 0.00 0.00 32.23 33.38 2da3 h LYS 45 CO -0.82 -0.12 -0.27 0.52 -3.45 0.00 0.00 179.45 175.31 2da3 h MET 46 N -0.19 -0.71 -0.99 1.90 2.86 -0.21 -2.38 114.93 115.21 2da3 h MET 46 Ca 0.05 0.05 0.33 0.00 -2.06 0.00 0.00 59.70 58.07 2da3 h MET 46 Cb 0.26 0.16 -0.15 0.00 0.06 0.00 0.00 31.60 31.93 2da3 h MET 46 CO -0.14 -0.42 0.51 -0.07 1.06 0.00 0.00 176.91 177.85 2da3 h LEU 47 N -0.89 0.40 -0.14 1.22 3.38 -1.01 0.38 115.31 118.65 2da3 h LEU 47 Ca -0.08 0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2da3 h LEU 47 Cb 0.62 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2da3 h LEU 47 CO 0.12 -0.19 0.01 -0.78 0.09 0.00 0.00 178.44 177.69 2da3 h ASP 48 N 0.25 0.24 0.83 -0.43 3.58 -1.08 -1.99 116.42 117.83 2da3 h ASP 48 Ca 0.73 -0.30 -0.04 0.00 0.42 0.00 0.00 57.03 57.84 2da3 h ASP 48 Cb 1.69 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 42.68 2da3 h ASP 48 CO -0.65 0.48 -0.40 -0.74 -2.88 0.00 0.00 179.24 175.06 2da3 h HIS 49 N -0.00 -1.04 -0.72 0.28 2.76 0.15 -1.80 115.15 114.78 2da3 h HIS 49 Ca 0.04 -0.02 0.16 0.00 -2.20 0.00 0.00 60.37 58.34 2da3 h HIS 49 Cb 0.35 0.34 -0.13 0.00 1.55 0.00 0.00 27.41 29.53 2da3 h HIS 49 CO 0.03 -0.64 -0.06 0.82 -1.30 0.00 0.00 177.93 176.78 2da3 h ILE 50 N -1.18 0.34 0.00 6.26 2.04 -0.93 1.02 117.51 125.07 2da3 h ILE 50 Ca -0.11 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 2da3 h ILE 50 Cb 0.86 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2da3 h ILE 50 CO 0.19 0.01 -0.03 0.00 0.00 0.00 0.00 178.15 178.32 2da3 h ALA 51 N 1.69 1.15 0.21 1.87 0.00 -1.29 0.07 119.26 122.96 2da3 h ALA 51 Ca 0.38 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.94 2da3 h ALA 51 Cb 0.63 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.45 2da3 h ALA 51 CO -0.67 0.03 -1.40 1.25 0.00 0.00 0.00 179.25 178.47 2da3 h HIS 52 N 0.00 0.87 0.04 0.00 -0.00 0.19 -2.19 115.15 114.07 2da3 h HIS 52 Ca -0.00 -0.63 -0.24 0.00 -0.00 0.00 0.00 60.37 59.50 2da3 h HIS 52 Cb 0.16 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.53 2da3 h HIS 52 CO 0.00 1.49 -1.03 1.05 -0.00 0.00 0.00 177.93 179.43 2da3 h GLU 53 N 0.14 0.39 0.00 5.26 4.11 -0.54 -3.23 114.58 120.72 2da3 h GLU 53 Ca -0.22 -0.47 -0.11 0.00 0.07 0.00 0.00 59.36 58.62 2da3 h GLU 53 Cb 2.10 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 31.48 2da3 h GLU 53 CO 0.26 1.15 -0.53 0.28 0.07 0.00 0.00 179.01 180.23 2da3 h VAL 54 N 0.20 1.09 -1.19 -1.06 2.07 -1.11 -3.48 116.25 112.77 2da3 h VAL 54 Ca -0.10 -2.05 -0.07 0.00 0.82 0.00 0.00 66.70 65.29 2da3 h VAL 54 Cb 1.69 2.21 0.01 0.00 -1.52 0.00 0.00 31.29 33.68 2da3 h VAL 54 CO 0.18 0.52 -0.11 0.61 0.02 0.00 0.00 177.57 178.79 2da3 n GLY 55 N 0.62 0.44 3.29 2.17 0.00 -0.86 -4.96 105.19 105.90 2da3 n GLY 55 Ca 0.00 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.60 2.18 -0.48 0.99 2.96 -1.01 -4.44 118.68 117.27 2da3 s LEU 56 Ca 0.05 -0.56 -0.45 0.00 -0.22 0.00 0.00 54.13 52.95 2da3 s LEU 56 Cb -0.02 -1.10 -0.19 0.00 0.50 0.00 0.00 46.19 45.38 2da3 s LEU 56 CO 0.06 0.20 1.75 0.29 -1.32 0.00 0.00 176.35 177.33 2da3 n LYS 57 N 1.76 0.13 -0.32 1.98 4.76 -1.26 -4.70 118.16 120.51 2da3 n LYS 57 Ca -0.17 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 2da3 n LYS 57 Cb 0.53 -1.58 0.07 0.00 -1.84 0.00 0.00 35.03 32.20 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 6.29 -0.03 -0.44 1.97 3.11 -1.93 0.12 116.57 125.66 2da3 h LYS 58 Ca -0.36 0.00 0.09 0.00 -2.81 0.00 0.00 60.65 57.57 2da3 h LYS 58 Cb 1.38 0.01 -0.10 0.00 -1.00 0.00 0.00 32.23 32.52 2da3 h LYS 58 CO 1.00 -0.02 -0.30 -0.09 -2.81 0.00 0.00 179.45 177.23 2da3 h ARG 59 N -0.04 -0.20 -0.94 1.90 9.65 -1.96 0.63 114.38 123.42 2da3 h ARG 59 Ca 0.36 0.01 0.11 0.00 -1.10 0.00 0.00 59.98 59.36 2da3 h ARG 59 Cb 0.61 0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 29.16 2da3 h ARG 59 CO -0.89 -0.14 0.57 0.28 2.80 0.00 0.00 179.97 182.59 2da3 h VAL 60 N -0.21 0.91 -0.01 0.20 2.07 -1.14 0.20 116.25 118.27 2da3 h VAL 60 Ca 0.19 -0.32 -0.14 0.00 0.82 0.00 0.00 66.70 67.26 2da3 h VAL 60 Cb 0.52 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2da3 h VAL 60 CO -0.56 0.17 -0.65 0.58 0.02 0.00 0.00 177.57 177.13 2da3 h VAL 61 N 0.92 1.45 -0.11 2.57 2.07 0.04 0.11 116.25 123.30 2da3 h VAL 61 Ca 0.46 -2.19 -0.16 0.00 0.82 0.00 0.00 66.70 65.63 2da3 h VAL 61 Cb 0.44 2.18 0.01 0.00 -1.52 0.00 0.00 31.29 32.39 2da3 h VAL 61 CO -0.26 0.63 -0.56 -0.61 0.02 0.00 0.00 177.57 176.79 2da3 h GLN 62 N 0.03 0.57 0.09 1.57 4.15 0.19 -3.26 115.11 118.44 2da3 h GLN 62 Ca -0.01 -0.47 -0.27 0.00 0.77 0.00 0.00 58.65 58.67 2da3 h GLN 62 Cb 1.15 0.10 0.02 0.00 0.21 0.00 0.00 27.48 28.95 2da3 h GLN 62 CO 0.09 1.09 -1.15 0.28 -1.93 0.00 0.00 178.83 177.20 2da3 h VAL 63 N 0.19 1.36 -0.43 2.39 2.07 -0.70 -3.20 116.25 117.93 2da3 h VAL 63 Ca -0.04 -2.58 0.13 0.00 0.82 0.00 0.00 66.70 65.02 2da3 h VAL 63 Cb 1.20 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 33.61 2da3 h VAL 63 CO 0.11 0.77 0.50 -0.25 0.02 0.00 0.00 177.57 178.73 2da3 h TRP 64 N 0.22 0.00 0.01 1.57 7.01 -0.85 0.10 115.95 124.01 2da3 h TRP 64 Ca -0.14 0.00 -0.11 0.00 2.11 0.00 0.00 58.89 60.75 2da3 h TRP 64 Cb 1.83 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.87 2da3 h TRP 64 CO 0.09 0.00 -0.59 0.74 -2.79 0.00 0.00 178.44 175.89 2da3 h PHE 65 N 0.00 0.04 0.00 2.65 -1.00 -1.59 -3.05 116.94 113.99 2da3 h PHE 65 Ca 0.21 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.95 2da3 h PHE 65 Cb 1.21 -0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.77 2da3 h PHE 65 CO 0.00 1.23 -0.03 -0.56 -1.61 0.00 0.00 178.31 177.34 2da3 h GLN 66 N -0.94 0.00 0.03 1.51 3.07 -1.22 -2.38 115.11 115.17 2da3 h GLN 66 Ca -0.16 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.58 2da3 h GLN 66 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.74 2da3 h GLN 66 CO -0.07 0.03 -0.01 -0.91 0.09 0.00 0.00 178.83 177.95 2da3 h ASN 67 N 0.00 -0.03 -0.38 0.06 2.35 -0.98 -3.06 115.58 113.55 2da3 h ASN 67 Ca -0.00 -0.61 0.07 0.00 -0.55 0.00 0.00 56.30 55.21 2da3 h ASN 67 Cb 0.05 0.01 -0.07 0.00 0.05 0.00 0.00 38.32 38.36 2da3 h ASN 67 CO 0.00 0.62 -0.09 0.74 -1.65 0.00 0.00 177.43 177.06 2da3 h THR 68 N -0.70 0.63 -0.24 2.81 2.02 -1.37 -2.17 112.91 113.89 2da3 h THR 68 Ca -0.00 -0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.23 2da3 h THR 68 Cb 0.64 0.62 -0.06 0.00 -1.74 0.00 0.00 68.15 67.61 2da3 h THR 68 CO 0.01 0.00 -0.19 0.03 0.37 0.00 0.00 175.52 175.74 2da3 h ARG 69 N 0.01 -0.17 -0.94 6.66 3.08 -1.53 -0.92 114.38 120.57 2da3 h ARG 69 Ca 0.18 0.01 0.24 0.00 0.07 0.00 0.00 59.98 60.49 2da3 h ARG 69 Cb 0.27 0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.23 2da3 h ARG 69 CO -0.38 -0.12 0.47 0.00 -1.07 0.00 0.00 179.97 178.87 2da3 h ALA 70 N 0.94 1.60 0.23 0.04 0.00 -1.29 0.12 119.26 120.91 2da3 h ALA 70 Ca 0.14 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2da3 h ALA 70 Cb 0.39 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2da3 h ALA 70 CO -0.35 -0.36 -0.11 0.00 0.00 0.00 0.00 179.25 178.43 2da3 h ARG 71 N 0.43 -0.30 -0.83 0.00 3.08 -0.90 0.26 114.38 116.12 2da3 h ARG 71 Ca 0.61 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.81 2da3 h ARG 71 Cb 1.20 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 31.23 2da3 h ARG 71 CO -0.53 0.03 0.43 0.93 -1.07 0.00 0.00 179.97 179.77 2da3 h GLU 72 N -0.68 0.64 -0.12 0.04 4.39 -0.19 -1.88 114.58 116.76 2da3 h GLU 72 Ca -0.03 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.47 2da3 h GLU 72 Cb 0.48 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2da3 h GLU 72 CO 0.05 0.42 -0.53 0.07 -1.16 0.00 0.00 179.01 177.86 2da3 h ARG 73 N 0.66 0.58 -0.88 2.33 0.11 -0.80 -3.26 114.38 113.12 2da3 h ARG 73 Ca 0.44 -0.46 0.24 0.00 0.10 0.00 0.00 59.98 60.30 2da3 h ARG 73 Cb 0.56 0.09 -0.16 0.00 1.11 0.00 0.00 29.97 31.57 2da3 h ARG 73 CO -0.33 1.08 0.01 1.17 0.10 0.00 0.00 179.97 182.00 2da3 n LYS 74 N -4.18 -0.07 -3.65 0.08 4.81 0.90 -4.27 118.16 111.77 2da3 n LYS 74 Ca -0.08 1.31 -0.32 0.00 -0.87 0.00 0.00 58.31 58.36 2da3 n LYS 74 Cb 0.62 -2.08 -0.05 0.00 0.02 0.00 0.00 35.03 33.53 2da3 n LYS 74 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2da3 s SER 75 N -5.01 6.51 0.00 3.14 0.01 -1.17 -5.06 113.70 112.12 2da3 s SER 75 Ca -0.11 0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.77 2da3 s SER 75 Cb 0.26 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.38 2da3 s SER 75 CO 0.68 0.07 0.00 0.61 0.41 0.00 0.00 173.24 175.01 2da3 n GLY 76 N 0.20 4.28 0.00 3.44 0.00 -1.26 -4.93 105.19 106.92 2da3 n GLY 76 Ca -0.03 -0.78 0.06 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.51 0.49 -0.36 1.61 -0.04 -1.26 -4.02 135.00 129.91 2da3 n PRO 77 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 2da3 n PRO 77 Cb 0.00 -1.38 0.03 0.00 -0.04 0.00 0.00 33.50 32.11 2da3 n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2da3 n SER 78 N -0.88 -0.61 -4.63 3.54 2.88 -1.26 -4.13 113.62 108.53 2da3 n SER 78 Ca 0.09 1.62 -0.43 0.00 -1.33 0.00 0.00 58.87 58.82 2da3 n SER 78 Cb 0.04 -0.36 -0.03 0.00 -0.75 0.00 0.00 64.21 63.11 2da3 n SER 78 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2da3 s SER 79 N -5.34 5.93 0.00 -3.46 1.04 -1.26 -5.30 113.70 105.32 2da3 s SER 79 Ca -0.13 2.11 0.00 0.00 0.48 0.00 0.00 55.95 58.42 2da3 s SER 79 Cb 0.19 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2da3 s SER 79 CO 0.66 -1.55 0.00 0.61 0.98 0.00 0.00 173.24 173.94