#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 4.02 0.03 1.61 1.04 -1.26 -5.05 113.70 114.09 2da3 s SER 2 Ca 0.00 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.64 2da3 s SER 2 Cb 0.00 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.57 2da3 s SER 2 CO 0.00 -2.13 0.00 -1.54 0.98 0.00 0.00 173.24 170.55 2da3 n SER 3 N -3.26 0.06 0.00 7.02 3.41 -1.26 -5.17 113.62 114.42 2da3 n SER 3 Ca 0.12 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2da3 n SER 3 Cb 0.60 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 2da3 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2da3 n GLY 4 N 2.25 2.33 3.65 5.00 0.00 -1.26 -5.12 105.19 112.03 2da3 n GLY 4 Ca 0.00 -1.96 -0.02 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.22 0.04 1.61 1.04 -1.26 -5.18 113.70 109.72 2da3 s SER 5 Ca 0.00 0.39 -0.10 0.00 0.48 0.00 0.00 55.95 56.71 2da3 s SER 5 Cb 0.00 0.79 0.01 0.00 0.10 0.00 0.00 66.02 66.92 2da3 s SER 5 CO 0.00 -0.06 0.21 -0.55 0.98 0.00 0.00 173.24 173.82 2da3 s SER 6 N 0.71 -0.00 -0.27 7.02 0.15 -1.26 -5.16 113.70 114.88 2da3 s SER 6 Ca -0.02 -0.31 -0.13 0.00 0.70 0.00 0.00 55.95 56.19 2da3 s SER 6 Cb -0.04 0.30 0.10 0.00 -1.71 0.00 0.00 66.02 64.67 2da3 s SER 6 CO -0.12 -0.55 0.64 -0.83 1.20 0.00 0.00 173.24 173.58 2da3 s GLY 7 N -2.01 -0.63 0.00 9.45 0.00 -1.26 -5.14 107.32 107.73 2da3 s GLY 7 Ca -0.06 2.28 0.00 0.00 0.00 0.00 0.00 44.72 46.94 2da3 s GLY 7 CO -0.03 2.60 0.00 0.61 0.00 0.00 0.00 173.10 176.28 2da3 n GLY 8 N 4.79 4.01 2.96 0.20 0.00 -1.26 -5.08 105.19 110.81 2da3 n GLY 8 Ca -0.17 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 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 2.76 -2.47 2.61 2.01 -1.26 -5.04 115.64 114.25 2da3 s THR 9 Ca 0.00 -3.36 0.00 0.00 0.31 0.00 0.00 61.69 58.64 2da3 s THR 9 Cb 0.00 -2.89 0.00 0.00 0.01 0.00 0.00 72.50 69.62 2da3 s THR 9 CO 0.00 -0.83 0.00 0.61 -0.69 0.00 0.00 174.62 173.71 2da3 n GLY 10 N 3.05 0.64 2.70 4.40 0.00 -1.26 -5.01 105.19 109.72 2da3 n GLY 10 Ca 0.07 -2.11 -0.07 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.28 3.36 -0.02 0.00 -1.26 -5.14 105.19 101.85 2da3 n GLY 11 Ca 0.00 0.37 -0.33 0.00 0.00 0.00 0.00 46.02 46.06 2da3 n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2da3 s GLU 12 N 0.18 3.36 0.08 1.61 2.02 -1.26 -5.09 118.70 119.60 2da3 s GLU 12 Ca 0.21 -0.70 0.04 0.00 0.02 0.00 0.00 54.97 54.54 2da3 s GLU 12 Cb 0.29 -2.61 -0.03 0.00 0.10 0.00 0.00 34.13 31.88 2da3 s GLU 12 CO -0.12 0.21 -0.10 -1.21 0.02 0.00 0.00 175.26 174.06 2da3 s GLU 13 N 0.36 0.78 -0.04 1.61 0.41 -1.26 -5.12 118.70 115.44 2da3 s GLU 13 Ca -0.11 -1.04 -0.30 0.00 -0.41 0.00 0.00 54.97 53.10 2da3 s GLU 13 Cb -0.16 -0.53 -0.05 0.00 -1.78 0.00 0.00 34.13 31.61 2da3 s GLU 13 CO 0.06 0.09 1.48 -1.25 -0.49 0.00 0.00 175.26 175.15 2da3 s PRO 14 N -2.37 4.23 -0.57 0.39 0.04 -1.26 -4.87 135.00 130.60 2da3 s PRO 14 Ca 0.01 2.02 -0.39 0.00 0.04 0.00 0.00 61.00 62.68 2da3 s PRO 14 Cb -0.05 -3.74 -0.18 0.00 0.04 0.00 0.00 34.50 30.57 2da3 s PRO 14 CO 0.00 -0.70 2.27 0.94 0.04 0.00 0.00 177.00 179.56 2da3 n GLN 15 N 6.15 0.25 -3.58 4.56 0.00 -1.26 -4.69 117.38 118.81 2da3 n GLN 15 Ca 0.15 0.06 -0.11 0.00 -0.00 0.00 0.00 57.00 57.10 2da3 n GLN 15 Cb 0.43 -1.76 -0.03 0.00 0.00 0.00 0.00 30.24 28.88 2da3 n GLN 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 2da3 s ARG 16 N 6.70 1.26 0.21 3.69 3.52 -1.26 -5.01 118.95 128.06 2da3 s ARG 16 Ca 1.20 -0.66 -0.10 0.00 -0.13 0.00 0.00 55.73 56.04 2da3 s ARG 16 Cb -1.28 0.54 0.18 0.00 -1.56 0.00 0.00 34.95 32.83 2da3 s ARG 16 CO 0.58 -0.53 1.86 -0.44 -0.81 0.00 0.00 175.30 175.96 2da3 h ASP 17 N 2.16 0.79 -0.00 -2.12 3.32 -1.99 -2.20 116.42 116.37 2da3 h ASP 17 Ca -0.32 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.60 2da3 h ASP 17 Cb 1.28 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 2da3 h ASP 17 CO 0.40 0.55 -0.36 0.50 -1.72 0.00 0.00 179.24 178.61 2da3 h LYS 18 N 0.93 0.49 -0.57 3.56 3.64 -1.96 -2.86 116.57 119.80 2da3 h LYS 18 Ca 0.28 -0.23 0.17 0.00 -1.27 0.00 0.00 60.65 59.60 2da3 h LYS 18 Cb -0.03 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2da3 h LYS 18 CO -0.09 0.79 0.74 -0.09 -2.27 0.00 0.00 179.45 178.53 2da3 h ARG 19 N 0.42 0.00 -7.17 1.90 2.43 -1.67 -3.41 114.38 106.88 2da3 h ARG 19 Ca 0.04 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.68 2da3 h ARG 19 Cb 0.83 0.00 0.15 0.00 -0.42 0.00 0.00 29.97 30.53 2da3 h ARG 19 CO 0.07 0.00 0.40 -0.51 -1.51 0.00 0.00 179.97 178.42 2da3 s LEU 20 N -6.78 3.34 0.19 3.80 1.43 -1.08 -4.99 118.68 114.58 2da3 s LEU 20 Ca -0.03 2.35 -0.17 0.00 -1.03 0.00 0.00 54.13 55.25 2da3 s LEU 20 Cb 0.13 -4.59 0.02 0.00 0.03 0.00 0.00 46.19 41.79 2da3 s LEU 20 CO 0.46 -2.21 0.50 -0.13 0.23 0.00 0.00 176.35 175.20 2da3 s ARG 21 N -3.88 1.36 0.10 1.70 0.52 -1.26 -5.05 118.95 112.43 2da3 s ARG 21 Ca 0.74 -0.90 0.00 0.00 -0.52 0.00 0.00 55.73 55.06 2da3 s ARG 21 Cb -0.29 0.51 -0.23 0.00 0.52 0.00 0.00 34.95 35.45 2da3 s ARG 21 CO 0.45 -0.57 1.21 0.00 0.02 0.00 0.00 175.30 176.41 2da3 h THR 22 N 2.23 1.58 -2.65 0.02 1.03 -1.98 -3.34 112.91 109.79 2da3 h THR 22 Ca -0.29 -3.15 -0.24 0.00 -0.01 0.00 0.00 66.41 62.72 2da3 h THR 22 Cb 1.26 2.86 0.12 0.00 -1.07 0.00 0.00 68.15 71.32 2da3 h THR 22 CO 0.38 0.91 0.07 0.35 -0.01 0.00 0.00 175.52 177.23 2da3 n THR 23 N -3.48 0.00 -4.28 0.00 -2.24 -1.26 -4.88 114.28 98.14 2da3 n THR 23 Ca -0.05 -0.30 -0.16 0.00 -2.27 0.00 0.00 64.05 61.27 2da3 n THR 23 Cb 0.97 -1.15 -0.10 0.00 -2.10 0.00 0.00 70.33 67.95 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 -2.23 1.38 0.16 2.28 1.01 -1.26 -4.88 121.20 117.67 2da3 s ILE 24 Ca 0.44 -2.01 0.07 0.00 0.00 0.00 0.00 60.65 59.15 2da3 s ILE 24 Cb -0.04 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 2da3 s ILE 24 CO 0.34 -0.61 0.01 0.42 0.00 0.00 0.00 174.94 175.10 2da3 s THR 25 N -2.88 3.84 -0.52 2.92 -4.23 -1.26 -5.01 115.64 108.49 2da3 s THR 25 Ca 0.16 -1.34 0.23 0.00 -1.18 0.00 0.00 61.69 59.56 2da3 s THR 25 Cb -0.01 -2.92 0.23 0.00 1.34 0.00 0.00 72.50 71.15 2da3 s THR 25 CO 0.03 -0.08 1.68 -0.81 -0.54 0.00 0.00 174.62 174.90 2da3 n PRO 26 N -0.06 0.18 0.03 3.99 -0.04 -1.26 -1.99 135.00 135.85 2da3 n PRO 26 Ca -0.10 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 -0.10 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 -2.17 0.60 -0.00 0.54 1.02 -1.26 -4.37 120.64 115.00 2da3 n GLU 27 Ca 0.02 -0.07 -0.22 0.00 -0.02 0.00 0.00 57.16 56.87 2da3 n GLU 27 Cb 0.22 -1.63 -0.14 0.00 -0.02 0.00 0.00 31.44 29.87 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 0.23 -0.80 3.49 4.20 -1.83 -3.39 115.11 117.02 2da3 h GLN 28 Ca 0.00 -0.39 0.11 0.00 0.06 0.00 0.00 58.65 58.42 2da3 h GLN 28 Cb 0.97 0.15 -0.13 0.00 0.30 0.00 0.00 27.48 28.77 2da3 h GLN 28 CO 0.00 1.19 -0.46 -0.07 -0.67 0.00 0.00 178.83 178.82 2da3 h LEU 29 N -0.24 -1.64 -0.72 1.46 3.38 -1.60 1.00 115.31 116.94 2da3 h LEU 29 Ca -0.35 0.29 0.15 0.00 0.09 0.00 0.00 57.88 58.05 2da3 h LEU 29 Cb 1.82 0.77 -0.14 0.00 0.09 0.00 0.00 40.66 43.20 2da3 h LEU 29 CO 0.04 -0.30 -0.17 -0.62 0.09 0.00 0.00 178.44 177.49 2da3 n GLU 30 N -5.39 -0.06 0.06 1.13 1.02 -1.26 0.13 120.64 116.27 2da3 n GLU 30 Ca 0.04 1.13 -0.12 0.00 -0.02 0.00 0.00 57.16 58.19 2da3 n GLU 30 Cb 0.34 -1.69 -0.07 0.00 -0.02 0.00 0.00 31.44 30.00 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 0.16 -3.67 2.04 -1.03 -0.78 117.51 115.18 2da3 h ILE 31 Ca 0.35 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.21 2da3 h ILE 31 Cb 0.56 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2da3 h ILE 31 CO -0.74 0.00 -0.10 -0.07 0.00 0.00 0.00 178.15 177.24 2da3 h LEU 32 N -0.07 -0.26 -0.60 1.44 3.38 0.12 -1.04 115.31 118.29 2da3 h LEU 32 Ca -0.00 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.08 2da3 h LEU 32 Cb 0.06 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 2da3 h LEU 32 CO 0.01 -0.17 0.20 1.88 0.09 0.00 0.00 178.44 180.45 2da3 h TYR 33 N -0.26 0.35 -0.39 1.13 0.05 -0.42 0.43 116.97 117.85 2da3 h TYR 33 Ca -0.01 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 2da3 h TYR 33 Cb 0.22 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 2da3 h TYR 33 CO -0.09 0.06 0.24 1.96 -1.05 0.00 0.00 178.16 179.28 2da3 h GLN 34 N 0.37 0.53 0.00 4.88 1.08 -0.87 0.12 115.11 121.22 2da3 h GLN 34 Ca 0.31 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.40 2da3 h GLN 34 Cb 0.40 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 2da3 h GLN 34 CO -0.33 0.40 -0.29 0.87 -0.95 0.00 0.00 178.83 178.52 2da3 h LYS 35 N 0.52 0.00 0.01 1.46 1.79 -0.28 -3.00 116.57 117.06 2da3 h LYS 35 Ca 0.14 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.54 2da3 h LYS 35 Cb -0.00 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.65 2da3 h LYS 35 CO -0.03 0.29 -0.27 -0.92 -1.08 0.00 0.00 179.45 177.45 2da3 h TYR 36 N 0.00 0.25 -0.42 -1.35 3.20 0.50 -0.38 116.97 118.76 2da3 h TYR 36 Ca -0.00 -0.14 0.12 0.00 3.14 0.00 0.00 58.73 61.85 2da3 h TYR 36 Cb 0.70 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 2da3 h TYR 36 CO 0.00 0.98 0.31 -0.07 -1.64 0.00 0.00 178.16 177.73 2da3 h LEU 37 N -0.55 0.00 0.00 2.82 3.38 -0.74 -0.21 115.31 120.01 2da3 h LEU 37 Ca -0.04 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 2da3 h LEU 37 Cb 1.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 2da3 h LEU 37 CO 0.05 0.00 -1.58 0.00 0.09 0.00 0.00 178.44 177.00 2da3 n LEU 38 N -4.38 0.63 -3.26 1.67 -0.00 -1.14 -4.88 117.00 105.64 2da3 n LEU 38 Ca 0.07 0.27 0.03 0.00 -0.00 0.00 0.00 56.01 56.38 2da3 n LEU 38 Cb 0.50 0.10 -0.02 0.00 -0.00 0.00 0.00 43.42 44.01 2da3 n LEU 38 CO 0.36 0.13 0.28 -0.62 -0.00 0.00 0.00 177.39 177.55 2da3 s ASP 39 N -5.52 -1.13 0.00 1.45 -1.08 -0.11 -5.02 116.67 105.26 2da3 s ASP 39 Ca -0.04 0.90 0.13 0.00 -0.52 0.00 0.00 52.55 53.01 2da3 s ASP 39 Cb 0.09 2.02 -0.03 0.00 -1.46 0.00 0.00 42.92 43.55 2da3 s ASP 39 CO 0.82 -0.21 0.71 -1.54 0.52 0.00 0.00 175.17 175.47 2da3 n SER 40 N 5.41 1.28 -2.29 -0.34 3.41 -1.07 -3.72 113.62 116.30 2da3 n SER 40 Ca -0.05 -1.14 -0.27 0.00 -0.26 0.00 0.00 58.87 57.15 2da3 n SER 40 Cb 0.51 0.56 0.02 0.00 -0.26 0.00 0.00 64.21 65.04 2da3 n SER 40 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2da3 n ASN 41 N -0.37 5.26 -4.73 4.04 0.23 -1.26 -4.76 115.26 113.66 2da3 n ASN 41 Ca 0.05 -3.75 -0.30 0.00 -0.53 0.00 0.00 54.58 50.05 2da3 n ASN 41 Cb 0.26 -0.49 0.13 0.00 -2.08 0.00 0.00 39.78 37.60 2da3 n ASN 41 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2da3 s PRO 42 N -3.63 1.50 0.32 -0.53 0.04 -1.26 -5.06 135.00 126.37 2da3 s PRO 42 Ca 0.51 0.90 0.05 0.00 0.04 0.00 0.00 61.00 62.50 2da3 s PRO 42 Cb 0.42 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 33.11 2da3 s PRO 42 CO -0.09 -2.10 0.46 -0.08 0.04 0.00 0.00 177.00 175.23 2da3 s THR 43 N -2.93 4.46 0.33 1.26 -1.32 -1.26 -4.89 115.64 111.29 2da3 s THR 43 Ca 0.63 -0.93 0.10 0.00 -1.21 0.00 0.00 61.69 60.27 2da3 s THR 43 Cb -0.18 -3.57 0.36 0.00 -1.51 0.00 0.00 72.50 67.60 2da3 s THR 43 CO 0.57 -0.24 1.61 0.03 -2.21 0.00 0.00 174.62 174.37 2da3 h ARG 44 N 0.93 0.10 -0.30 7.08 2.47 -1.99 0.39 114.38 123.06 2da3 h ARG 44 Ca -0.48 -0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.30 2da3 h ARG 44 Cb 1.25 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 29.48 2da3 h ARG 44 CO 0.56 0.07 -0.10 -0.22 0.56 0.00 0.00 179.97 180.84 2da3 h LYS 45 N 0.11 -0.04 0.62 0.04 1.63 -2.00 -1.00 116.57 115.93 2da3 h LYS 45 Ca 0.68 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.46 2da3 h LYS 45 Cb 1.57 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 33.22 2da3 h LYS 45 CO -0.76 -0.02 -0.30 0.52 -3.45 0.00 0.00 179.45 175.44 2da3 h MET 46 N -0.04 -0.81 -1.24 1.90 2.86 -0.63 -2.51 114.93 114.47 2da3 h MET 46 Ca 0.15 0.05 0.36 0.00 -2.06 0.00 0.00 59.70 58.21 2da3 h MET 46 Cb 0.27 0.18 -0.09 0.00 0.06 0.00 0.00 31.60 32.02 2da3 h MET 46 CO -0.33 -0.50 0.84 -0.07 1.06 0.00 0.00 176.91 177.90 2da3 h LEU 47 N -0.96 0.22 -0.03 1.22 3.38 -1.09 0.25 115.31 118.30 2da3 h LEU 47 Ca -0.09 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2da3 h LEU 47 Cb 0.68 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 2da3 h LEU 47 CO 0.14 -0.02 -0.02 -0.78 0.09 0.00 0.00 178.44 177.86 2da3 h ASP 48 N 0.16 0.06 0.88 -0.43 1.82 -0.86 -2.15 116.42 115.89 2da3 h ASP 48 Ca 0.67 -0.44 -0.04 0.00 -0.39 0.00 0.00 57.03 56.84 2da3 h ASP 48 Cb 2.21 -0.02 0.01 0.00 0.68 0.00 0.00 39.33 42.21 2da3 h ASP 48 CO -0.22 0.48 -0.42 -0.74 -1.61 0.00 0.00 179.24 176.73 2da3 h HIS 49 N -0.36 -1.09 -0.74 0.28 2.76 -0.18 -1.38 115.15 114.43 2da3 h HIS 49 Ca 0.01 -0.03 0.17 0.00 -2.20 0.00 0.00 60.37 58.32 2da3 h HIS 49 Cb 0.46 0.36 -0.12 0.00 1.55 0.00 0.00 27.41 29.66 2da3 h HIS 49 CO 0.08 -0.68 0.06 0.82 -1.30 0.00 0.00 177.93 176.91 2da3 h ILE 50 N -1.30 0.40 0.00 6.26 2.04 -1.15 0.93 117.51 124.69 2da3 h ILE 50 Ca -0.12 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 2da3 h ILE 50 Cb 0.90 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2da3 h ILE 50 CO 0.20 0.03 -0.04 0.00 0.00 0.00 0.00 178.15 178.33 2da3 h ALA 51 N 1.67 1.07 0.11 1.87 0.00 -1.32 0.19 119.26 122.85 2da3 h ALA 51 Ca 0.41 -0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.99 2da3 h ALA 51 Cb 0.72 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2da3 h ALA 51 CO -0.61 0.06 -1.40 1.25 0.00 0.00 0.00 179.25 178.55 2da3 h HIS 52 N 0.00 0.41 0.16 0.00 -0.00 0.20 -2.17 115.15 113.75 2da3 h HIS 52 Ca -0.00 -0.30 -0.30 0.00 -0.00 0.00 0.00 60.37 59.77 2da3 h HIS 52 Cb 0.35 -0.02 0.01 0.00 -0.00 0.00 0.00 27.41 27.76 2da3 h HIS 52 CO 0.00 1.30 -1.36 1.05 -0.00 0.00 0.00 177.93 178.92 2da3 h GLU 53 N 0.06 0.35 0.00 5.26 4.11 -0.47 -3.28 114.58 120.61 2da3 h GLU 53 Ca -0.19 -0.60 -0.05 0.00 0.07 0.00 0.00 59.36 58.59 2da3 h GLU 53 Cb 1.98 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 31.44 2da3 h GLU 53 CO 0.17 1.27 -0.24 0.28 0.07 0.00 0.00 179.01 180.56 2da3 h VAL 54 N 0.10 0.45 -2.01 -1.06 2.07 -1.10 -3.48 116.25 111.22 2da3 h VAL 54 Ca -0.19 -1.46 -0.11 0.00 0.82 0.00 0.00 66.70 65.77 2da3 h VAL 54 Cb 2.04 2.07 0.03 0.00 -1.52 0.00 0.00 31.29 33.91 2da3 h VAL 54 CO 0.22 0.24 -0.17 0.61 0.02 0.00 0.00 177.57 178.49 2da3 n GLY 55 N 0.86 0.49 3.37 2.17 0.00 -0.94 -4.96 105.19 106.18 2da3 n GLY 55 Ca 0.02 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.47 2.46 -0.28 0.99 2.96 -0.86 -4.87 118.68 116.61 2da3 s LEU 56 Ca 0.13 -0.89 -0.37 0.00 -0.22 0.00 0.00 54.13 52.78 2da3 s LEU 56 Cb -0.06 -0.91 -0.13 0.00 0.50 0.00 0.00 46.19 45.59 2da3 s LEU 56 CO 0.16 -0.01 1.97 0.29 -1.32 0.00 0.00 176.35 177.44 2da3 n LYS 57 N 0.14 1.30 -0.33 1.98 4.76 -1.26 -4.65 118.16 120.11 2da3 n LYS 57 Ca -0.12 0.43 0.01 0.00 -2.87 0.00 0.00 58.31 55.76 2da3 n LYS 57 Cb 0.57 -2.35 0.07 0.00 -1.84 0.00 0.00 35.03 31.48 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 9.84 -0.03 -0.26 1.97 3.11 -1.90 0.23 116.57 129.54 2da3 h LYS 58 Ca -0.38 0.00 0.06 0.00 -2.81 0.00 0.00 60.65 57.52 2da3 h LYS 58 Cb 1.31 0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 32.49 2da3 h LYS 58 CO 0.99 -0.02 -0.11 -0.09 -2.81 0.00 0.00 179.45 177.40 2da3 h ARG 59 N -0.03 -0.07 -0.99 1.90 9.65 -1.94 0.31 114.38 123.22 2da3 h ARG 59 Ca 0.37 0.01 0.12 0.00 -1.10 0.00 0.00 59.98 59.37 2da3 h ARG 59 Cb 0.62 0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 29.13 2da3 h ARG 59 CO -0.92 -0.05 0.62 0.28 2.80 0.00 0.00 179.97 182.70 2da3 h VAL 60 N -0.08 0.92 -0.01 0.20 2.07 -0.95 0.11 116.25 118.51 2da3 h VAL 60 Ca 0.13 -0.33 -0.17 0.00 0.82 0.00 0.00 66.70 67.15 2da3 h VAL 60 Cb 0.28 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 2da3 h VAL 60 CO -0.31 0.18 -0.78 0.58 0.02 0.00 0.00 177.57 177.26 2da3 h VAL 61 N 0.97 1.51 -0.26 2.57 2.07 0.02 -0.49 116.25 122.64 2da3 h VAL 61 Ca 0.49 -2.52 -0.18 0.00 0.82 0.00 0.00 66.70 65.31 2da3 h VAL 61 Cb 0.50 2.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2da3 h VAL 61 CO -0.25 0.73 -0.55 -0.61 0.02 0.00 0.00 177.57 176.91 2da3 h GLN 62 N 0.06 0.78 0.21 1.57 4.15 0.12 -3.22 115.11 118.78 2da3 h GLN 62 Ca -0.02 -0.49 -0.32 0.00 0.77 0.00 0.00 58.65 58.59 2da3 h GLN 62 Cb 1.36 0.06 0.03 0.00 0.21 0.00 0.00 27.48 29.14 2da3 h GLN 62 CO 0.11 1.12 -1.41 0.28 -1.93 0.00 0.00 178.83 177.00 2da3 h VAL 63 N 0.60 1.35 0.00 2.39 2.07 -0.87 -3.18 116.25 118.61 2da3 h VAL 63 Ca 0.01 -2.83 0.00 0.00 0.82 0.00 0.00 66.70 64.71 2da3 h VAL 63 Cb 1.14 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.92 2da3 h VAL 63 CO 0.12 0.84 0.16 -0.25 0.02 0.00 0.00 177.57 178.46 2da3 h TRP 64 N 0.12 0.00 0.01 1.57 7.01 -1.12 -1.21 115.95 122.34 2da3 h TRP 64 Ca -0.22 0.00 -0.34 0.00 2.11 0.00 0.00 58.89 60.44 2da3 h TRP 64 Cb 2.11 0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 29.12 2da3 h TRP 64 CO 0.11 0.00 -1.87 1.19 -2.79 0.00 0.00 178.44 175.07 2da3 n PHE 65 N -2.21 0.60 0.20 2.65 3.01 -1.22 -3.40 117.46 117.08 2da3 n PHE 65 Ca -0.01 0.24 0.12 0.00 1.01 0.00 0.00 57.45 58.80 2da3 n PHE 65 Cb 0.19 -1.06 0.69 0.00 -0.01 0.00 0.00 39.48 39.29 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 -0.87 0.00 0.04 -1.08 3.07 -1.31 -1.70 115.11 113.26 2da3 h GLN 66 Ca -0.50 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.23 2da3 h GLN 66 Cb 1.51 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.07 2da3 h GLN 66 CO -0.27 0.00 -0.02 -0.91 0.09 0.00 0.00 178.83 177.72 2da3 h ASN 67 N 0.00 -0.04 -0.94 0.06 2.35 -1.44 -3.05 115.58 112.51 2da3 h ASN 67 Ca 0.06 -0.58 0.19 0.00 -0.55 0.00 0.00 56.30 55.42 2da3 h ASN 67 Cb 0.26 0.01 -0.08 0.00 0.05 0.00 0.00 38.32 38.56 2da3 h ASN 67 CO -0.00 0.71 0.60 0.74 -1.65 0.00 0.00 177.43 177.83 2da3 h THR 68 N -0.95 0.71 -0.51 2.81 2.02 -1.51 0.49 112.91 115.98 2da3 h THR 68 Ca -0.01 -0.20 -0.11 0.00 0.77 0.00 0.00 66.41 66.87 2da3 h THR 68 Cb 0.62 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2da3 h THR 68 CO 0.01 0.11 -0.10 0.03 0.37 0.00 0.00 175.52 175.94 2da3 h ARG 69 N 0.58 0.97 -0.36 6.66 3.08 -1.41 0.30 114.38 124.19 2da3 h ARG 69 Ca 0.51 -0.36 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 2da3 h ARG 69 Cb 1.01 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 2da3 h ARG 69 CO -0.25 1.03 0.03 0.00 -1.07 0.00 0.00 179.97 179.71 2da3 h ALA 70 N 0.91 0.49 -0.08 0.04 0.00 -0.85 0.72 119.26 120.49 2da3 h ALA 70 Ca 0.13 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 2da3 h ALA 70 Cb 0.65 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2da3 h ALA 70 CO 0.05 0.22 -0.73 0.07 0.00 0.00 0.00 179.25 178.86 2da3 h ARG 71 N 0.45 0.42 -0.21 0.00 0.11 -1.11 -1.75 114.38 112.29 2da3 h ARG 71 Ca 0.11 -0.34 -0.15 0.00 0.10 0.00 0.00 59.98 59.70 2da3 h ARG 71 Cb 0.41 0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.55 2da3 h ARG 71 CO 0.01 0.98 -0.49 0.93 0.10 0.00 0.00 179.97 181.50 2da3 h GLU 72 N 0.28 0.55 0.00 0.08 4.39 -0.30 -3.07 114.58 116.52 2da3 h GLU 72 Ca -0.03 -0.32 -0.18 0.00 0.34 0.00 0.00 59.36 59.17 2da3 h GLU 72 Cb 1.31 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.96 2da3 h GLU 72 CO 0.13 0.92 -0.85 0.07 -1.16 0.00 0.00 179.01 178.12 2da3 h ARG 73 N 0.44 0.02 -0.25 2.33 0.11 -0.83 -3.28 114.38 112.92 2da3 h ARG 73 Ca 0.02 -0.02 0.04 0.00 0.10 0.00 0.00 59.98 60.12 2da3 h ARG 73 Cb 1.02 0.01 -0.04 0.00 1.11 0.00 0.00 29.97 32.07 2da3 h ARG 73 CO 0.09 0.85 0.01 -0.22 0.10 0.00 0.00 179.97 180.80 2da3 h LYS 74 N 0.01 0.08 -6.19 0.08 3.64 -1.22 -3.40 116.57 109.58 2da3 h LYS 74 Ca -0.01 -0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.80 2da3 h LYS 74 Cb 1.49 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.29 2da3 h LYS 74 CO 0.11 0.05 1.31 -1.12 -2.27 0.00 0.00 179.45 177.54 2da3 s SER 75 N -5.25 5.99 0.40 4.20 0.01 -1.21 -4.90 113.70 112.95 2da3 s SER 75 Ca -0.13 1.99 -0.22 0.00 1.31 0.00 0.00 55.95 58.90 2da3 s SER 75 Cb 0.11 -2.52 -0.14 0.00 0.21 0.00 0.00 66.02 63.67 2da3 s SER 75 CO 0.69 -1.52 0.29 0.61 0.41 0.00 0.00 173.24 173.73 2da3 n GLY 76 N 5.12 -2.19 0.09 3.44 0.00 -1.26 -4.90 105.19 105.49 2da3 n GLY 76 Ca 0.24 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.53 0.15 -6.68 1.61 0.13 -1.90 -3.45 132.00 122.39 2da3 h PRO 77 Ca -0.38 -0.08 -0.66 0.00 -0.87 0.00 0.00 66.00 64.01 2da3 h PRO 77 Cb 1.43 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.37 2da3 h PRO 77 CO 0.49 0.60 -0.83 0.45 -0.23 0.00 0.00 178.00 178.48 2da3 s SER 78 N -5.88 3.48 0.01 1.44 0.15 -1.26 -5.15 113.70 106.49 2da3 s SER 78 Ca -0.15 -0.81 0.03 0.00 0.70 0.00 0.00 55.95 55.72 2da3 s SER 78 Cb 0.03 -0.29 -0.01 0.00 -1.71 0.00 0.00 66.02 64.04 2da3 s SER 78 CO 0.71 0.14 -0.09 -0.94 1.20 0.00 0.00 173.24 174.25 2da3 s SER 79 N -2.51 1.07 0.00 5.45 1.04 -1.26 -5.23 113.70 112.26 2da3 s SER 79 Ca 0.19 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.36 2da3 s SER 79 Cb -0.09 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.95 2da3 s SER 79 CO 0.09 0.04 0.22 0.61 0.98 0.00 0.00 173.24 175.18