#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2od4 n PHE 2 N 0.00 0.00 -2.05 1.61 3.72 -1.26 -4.89 117.46 114.59 2od4 n PHE 2 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 2od4 n PHE 2 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 2od4 n PHE 2 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2od4 s ALA 3 N 0.00 3.68 1.19 4.37 0.00 -1.26 -5.01 121.76 124.74 2od4 s ALA 3 Ca 0.00 1.24 -0.16 0.00 0.00 0.00 0.00 51.96 53.04 2od4 s ALA 3 Cb 0.00 -3.59 0.28 0.00 0.00 0.00 0.00 23.12 19.82 2od4 s ALA 3 CO 0.00 -0.72 1.03 0.20 0.00 0.00 0.00 175.76 176.27 2od4 s GLY 4 N 1.21 1.52 0.55 0.00 0.00 -1.26 -4.98 107.32 104.36 2od4 s GLY 4 Ca 0.68 -0.46 -0.20 0.00 0.00 0.00 0.00 44.72 44.73 2od4 s GLY 4 CO 0.31 0.33 1.23 -1.35 0.00 0.00 0.00 173.10 173.62 2od4 s SER 5 N -3.06 5.44 -0.24 1.64 1.04 -1.26 -5.00 113.70 112.26 2od4 s SER 5 Ca 0.68 2.46 -0.05 0.00 0.48 0.00 0.00 55.95 59.53 2od4 s SER 5 Cb -0.19 -2.61 -0.00 0.00 0.10 0.00 0.00 66.02 63.32 2od4 s SER 5 CO 0.61 -1.43 -0.01 -0.63 0.98 0.00 0.00 173.24 172.76 2od4 s ILE 6 N -1.51 3.52 0.00 -1.02 -1.09 -1.26 -5.23 121.20 114.61 2od4 s ILE 6 Ca 0.73 -0.58 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 2od4 s ILE 6 Cb -0.32 -2.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 2od4 s ILE 6 CO 0.37 0.30 0.00 -0.81 -1.23 0.00 0.00 174.94 173.57 2od4 n PRO 7 N 4.81 0.58 -3.64 2.79 -0.04 -1.26 -4.95 135.00 133.28 2od4 n PRO 7 Ca -0.17 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.23 2od4 n PRO 7 Cb 0.50 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.89 2od4 n PRO 7 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2od4 s TYR 9 N 0.00 -0.71 -0.08 0.54 6.14 -0.45 -4.18 117.35 118.61 2od4 s TYR 9 Ca 0.00 1.51 0.04 0.00 0.64 0.00 0.00 57.07 59.26 2od4 s TYR 9 Cb 0.00 0.42 -0.01 0.00 0.42 0.00 0.00 41.96 42.79 2od4 s TYR 9 CO 0.00 -0.35 -0.21 0.42 0.64 0.00 0.00 175.55 176.05 2od4 s ILE 10 N 1.07 2.39 -0.06 3.14 -1.09 -0.10 -0.13 121.20 126.41 2od4 s ILE 10 Ca -0.06 -0.93 0.04 0.00 -2.23 0.00 0.00 60.65 57.48 2od4 s ILE 10 Cb -0.04 -1.92 -0.02 0.00 -1.58 0.00 0.00 42.46 38.90 2od4 s ILE 10 CO -0.13 0.56 -0.19 -0.60 -1.23 0.00 0.00 174.94 173.36 2od4 s ARG 11 N -0.03 2.57 -0.19 2.79 3.52 -0.25 -1.54 118.95 125.83 2od4 s ARG 11 Ca -0.06 -0.78 0.01 0.00 -0.13 0.00 0.00 55.73 54.76 2od4 s ARG 11 Cb -0.15 -2.31 0.03 0.00 -1.56 0.00 0.00 34.95 30.97 2od4 s ARG 11 CO 0.05 0.50 -0.13 0.08 -0.81 0.00 0.00 175.30 174.98 2od4 s VAL 12 N -0.42 1.74 -0.40 7.11 1.01 0.31 -0.43 120.40 129.32 2od4 s VAL 12 Ca 0.04 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 2od4 s VAL 12 Cb -0.12 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 34.59 2od4 s VAL 12 CO 0.02 0.31 0.25 -0.69 0.00 0.00 0.00 175.10 174.98 2od4 s VAL 13 N 1.38 4.65 -0.14 2.92 1.01 0.78 -1.07 120.40 129.94 2od4 s VAL 13 Ca 0.01 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.89 2od4 s VAL 13 Cb -0.15 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 2od4 s VAL 13 CO -0.10 -0.35 0.22 -0.55 0.00 0.00 0.00 175.10 174.32 2od4 s SER 14 N 1.83 6.42 0.05 3.32 0.15 0.28 -0.46 113.70 125.29 2od4 s SER 14 Ca 0.03 0.49 0.06 0.00 0.70 0.00 0.00 55.95 57.23 2od4 s SER 14 Cb -0.21 -2.13 -0.02 0.00 -1.71 0.00 0.00 66.02 61.94 2od4 s SER 14 CO 0.06 0.25 -0.16 0.27 1.20 0.00 0.00 173.24 174.85 2od4 s ILE 15 N -0.24 1.30 -0.05 6.45 -4.36 0.20 -0.98 121.20 123.51 2od4 s ILE 15 Ca 0.15 -1.14 0.01 0.00 -0.26 0.00 0.00 60.65 59.40 2od4 s ILE 15 Cb -0.13 -1.17 0.02 0.00 1.25 0.00 0.00 42.46 42.43 2od4 s ILE 15 CO 0.04 0.01 -0.06 -0.89 0.24 0.00 0.00 174.94 174.28 2od4 s THR 16 N -0.93 0.66 0.09 8.37 2.01 0.11 -1.80 115.64 124.15 2od4 s THR 16 Ca 0.03 -0.18 0.04 0.00 0.31 0.00 0.00 61.69 61.89 2od4 s THR 16 Cb -0.09 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 2od4 s THR 16 CO 0.02 0.26 0.07 0.00 -0.69 0.00 0.00 174.62 174.28 2od4 s ALA 17 N 1.01 3.52 -0.09 7.40 0.00 -0.06 -0.56 121.76 132.99 2od4 s ALA 17 Ca -0.09 -1.06 0.31 0.00 0.00 0.00 0.00 51.96 51.12 2od4 s ALA 17 Cb -0.14 -1.38 1.16 0.00 0.00 0.00 0.00 23.12 22.75 2od4 s ALA 17 CO -0.00 0.71 1.89 1.96 0.00 0.00 0.00 175.76 180.32 2od4 h GLN 18 N 3.21 0.00 -3.74 0.00 1.08 -1.88 -3.46 115.11 110.32 2od4 h GLN 18 Ca -0.47 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 56.63 2od4 h GLN 18 Cb 1.17 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.45 2od4 h GLN 18 CO 0.65 0.00 -0.39 -1.54 -0.95 0.00 0.00 178.83 176.59 2od4 s SER 19 N -5.51 0.11 0.27 1.46 1.04 -1.26 -5.04 113.70 104.76 2od4 s SER 19 Ca 0.03 -0.56 -0.04 0.00 0.48 0.00 0.00 55.95 55.85 2od4 s SER 19 Cb 0.09 0.31 0.34 0.00 0.10 0.00 0.00 66.02 66.86 2od4 s SER 19 CO 0.54 -0.66 1.90 0.50 0.98 0.00 0.00 173.24 176.50 2od4 h LYS 20 N 3.03 1.13 0.14 4.02 1.63 -1.91 -1.47 116.57 123.14 2od4 h LYS 20 Ca -0.33 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 59.35 2od4 h LYS 20 Cb 1.19 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 2od4 h LYS 20 CO 0.54 0.81 -0.07 1.25 -3.45 0.00 0.00 179.45 178.53 2od4 h LEU 21 N 1.14 -0.16 -1.21 5.20 5.85 -1.99 0.10 115.31 124.25 2od4 h LEU 21 Ca 0.29 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 2od4 h LEU 21 Cb -0.01 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 2od4 h LEU 21 CO -0.05 -0.08 0.46 1.56 -0.34 0.00 0.00 178.44 179.99 2od4 h GLN 22 N -0.22 0.99 -0.13 1.25 4.20 -1.86 -2.57 115.11 116.78 2od4 h GLN 22 Ca -0.02 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 2od4 h GLN 22 Cb 0.17 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2od4 h GLN 22 CO 0.03 0.69 0.07 0.35 -0.67 0.00 0.00 178.83 179.30 2od4 h PHE 23 N 1.01 0.18 0.00 2.96 3.57 -0.89 -1.87 116.94 121.90 2od4 h PHE 23 Ca 0.27 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2od4 h PHE 23 Cb -0.06 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.62 2od4 h PHE 23 CO 0.00 0.20 0.00 -0.25 -2.23 0.00 0.00 178.31 176.03 2od4 n ASP 24 N -4.94 0.59 0.00 0.41 8.00 0.33 -1.33 116.55 119.60 2od4 n ASP 24 Ca -0.05 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.00 2od4 n ASP 24 Cb 0.07 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 2od4 n ASP 24 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2od4 n THR 26 N 0.78 0.00 -0.23 -3.53 -1.04 -0.70 -1.67 114.28 107.88 2od4 n THR 26 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2od4 n THR 26 Cb 0.10 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 68.73 2od4 n THR 26 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2od4 h VAL 27 N 0.00 0.88 -0.43 12.58 2.07 -1.48 0.14 116.25 130.01 2od4 h VAL 27 Ca 0.00 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 2od4 h VAL 27 Cb 0.00 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 2od4 h VAL 27 CO 0.00 0.11 -0.16 0.74 0.02 0.00 0.00 177.57 178.28 2od4 h THR 28 N 0.58 1.26 -0.48 2.57 2.02 -1.59 -0.92 112.91 116.36 2od4 h THR 28 Ca 0.32 -1.26 -0.05 0.00 0.77 0.00 0.00 66.41 66.19 2od4 h THR 28 Cb 0.30 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 2od4 h THR 28 CO -0.24 0.43 0.11 0.22 0.37 0.00 0.00 175.52 176.40 2od4 h TYR 29 N 0.72 0.82 -0.78 3.16 3.20 -1.62 -1.07 116.97 121.40 2od4 h TYR 29 Ca 0.11 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2od4 h TYR 29 Cb 0.67 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 2od4 h TYR 29 CO 0.04 0.74 0.49 0.74 -1.64 0.00 0.00 178.16 178.52 2od4 h PHE 30 N 0.66 1.01 -0.32 -3.82 0.04 -0.51 -0.76 116.94 113.24 2od4 h PHE 30 Ca 0.15 0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.78 2od4 h PHE 30 Cb 0.34 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 2od4 h PHE 30 CO 0.02 0.66 -0.38 1.49 -0.60 0.00 0.00 178.31 179.50 2od4 h GLU 31 N 1.06 0.81 0.00 1.51 4.81 -0.92 -0.78 114.58 121.08 2od4 h GLU 31 Ca 0.28 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2od4 h GLU 31 Cb -0.07 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2od4 h GLU 31 CO -0.06 1.09 -1.78 0.09 -0.73 0.00 0.00 179.01 177.62 2od4 n ASN 32 N -4.14 0.69 0.02 1.04 3.02 -0.43 -4.37 115.26 111.09 2od4 n ASN 32 Ca -0.04 -0.08 -0.02 0.00 -0.03 0.00 0.00 54.58 54.42 2od4 n ASN 32 Cb 0.53 1.79 -0.01 0.00 -0.61 0.00 0.00 39.78 41.49 2od4 n ASN 32 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2od4 n VAL 33 N -2.10 0.91 0.01 2.41 0.31 -0.35 -4.67 118.33 114.85 2od4 n VAL 33 Ca -0.03 0.24 -0.13 0.00 -0.01 0.00 0.00 64.34 64.42 2od4 n VAL 33 Cb 0.48 -1.63 -0.09 0.00 -0.91 0.00 0.00 33.84 31.69 2od4 n VAL 33 CO 0.00 0.00 0.00 -0.25 -1.32 0.00 0.00 176.83 175.26 2od4 h TRP 34 N -0.10 -0.04 0.22 3.52 2.91 -1.44 -3.05 115.95 117.97 2od4 h TRP 34 Ca -0.02 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 59.99 2od4 h TRP 34 Cb 0.42 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.07 2od4 h TRP 34 CO -0.03 0.32 -0.16 0.77 -1.03 0.00 0.00 178.44 178.31 2od4 h SER 35 N -0.40 -0.40 -0.14 2.65 0.02 -1.35 -1.14 113.55 112.79 2od4 h SER 35 Ca -0.00 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2od4 h SER 35 Cb 0.37 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 2od4 h SER 35 CO 0.01 -0.25 0.03 -0.65 -1.14 0.00 0.00 176.83 174.82 2od4 h PRO 36 N -0.38 0.31 0.23 3.45 0.11 -1.76 -0.90 132.00 133.06 2od4 h PRO 36 Ca -0.02 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 2od4 h PRO 36 Cb 0.33 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.38 2od4 h PRO 36 CO 0.00 0.32 -0.11 -0.22 -0.21 0.00 0.00 178.00 177.78 2od4 h LYS 37 N 0.31 -0.29 -0.33 1.05 1.63 -1.35 -1.34 116.57 116.25 2od4 h LYS 37 Ca 0.08 0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 59.79 2od4 h LYS 37 Cb 0.17 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 2od4 h LYS 37 CO 0.00 0.00 -0.24 -0.39 -3.45 0.00 0.00 179.45 175.37 2od4 h VAL 38 N -0.60 1.27 -0.44 2.00 -1.51 -0.88 -2.09 116.25 114.01 2od4 h VAL 38 Ca -0.03 -1.32 -0.04 0.00 -1.23 0.00 0.00 66.70 64.08 2od4 h VAL 38 Cb 0.43 1.27 -0.02 0.00 -2.13 0.00 0.00 31.29 30.85 2od4 h VAL 38 CO 0.05 0.43 0.14 0.40 -1.23 0.00 0.00 177.57 177.36 2od4 h ILE 39 N 0.58 1.22 -0.26 7.19 1.08 -1.19 0.05 117.51 126.17 2od4 h ILE 39 Ca 0.08 -0.73 -0.00 0.00 -0.39 0.00 0.00 64.86 63.82 2od4 h ILE 39 Cb 0.72 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 2od4 h ILE 39 CO 0.06 0.26 0.16 0.77 -0.69 0.00 0.00 178.15 178.71 2od4 h SER 40 N 0.57 0.31 0.16 1.72 4.64 -0.90 -2.77 113.55 117.28 2od4 h SER 40 Ca 0.14 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2od4 h SER 40 Cb 0.27 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2od4 h SER 40 CO -0.00 0.23 -0.23 0.18 -0.87 0.00 0.00 176.83 176.14 2od4 n LEU 41 N -4.48 1.28 0.00 5.97 4.77 -0.82 -4.93 117.00 118.79 2od4 n LEU 41 Ca 0.01 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 2od4 n LEU 41 Cb 0.08 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2od4 n LEU 41 CO 0.35 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2od4 n GLY 42 N 1.32 0.04 3.74 -0.72 0.00 -0.63 -4.94 105.19 104.00 2od4 n GLY 42 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2od4 n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2od4 s ALA 43 N -0.14 2.46 -0.15 4.61 0.00 -0.09 -4.42 121.76 124.04 2od4 s ALA 43 Ca 0.00 1.09 -0.19 0.00 0.00 0.00 0.00 51.96 52.86 2od4 s ALA 43 Cb 0.00 -3.50 -0.24 0.00 0.00 0.00 0.00 23.12 19.38 2od4 s ALA 43 CO 0.00 -1.37 0.45 0.82 0.00 0.00 0.00 175.76 175.66 2od4 h ILE 44 N 0.70 1.06 -3.29 0.00 1.08 -0.83 -3.41 117.51 112.82 2od4 h ILE 44 Ca -0.51 -2.31 -0.04 0.00 -0.39 0.00 0.00 64.86 61.62 2od4 h ILE 44 Cb 1.31 2.62 -0.12 0.00 -3.07 0.00 0.00 36.82 37.56 2od4 h ILE 44 CO 0.54 0.57 0.02 -0.94 -0.69 0.00 0.00 178.15 177.65 2od4 s SER 45 N -6.86 -0.31 -0.06 1.72 1.04 -1.19 -5.01 113.70 103.03 2od4 s SER 45 Ca -0.23 -0.31 -0.04 0.00 0.48 0.00 0.00 55.95 55.85 2od4 s SER 45 Cb 0.04 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.72 2od4 s SER 45 CO 0.70 -0.94 0.14 0.00 0.98 0.00 0.00 173.24 174.12 2od4 s ALA 46 N -3.82 -0.32 0.07 5.32 0.00 -1.26 -1.13 121.76 120.62 2od4 s ALA 46 Ca 0.05 0.53 -0.02 0.00 0.00 0.00 0.00 51.96 52.52 2od4 s ALA 46 Cb 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 2od4 s ALA 46 CO -0.09 -0.11 0.01 -1.83 0.00 0.00 0.00 175.76 173.74 2od4 s GLU 47 N 0.56 0.70 -0.05 0.00 -1.05 -0.23 -4.97 118.70 113.66 2od4 s GLU 47 Ca -0.04 -1.24 0.05 0.00 -0.15 0.00 0.00 54.97 53.59 2od4 s GLU 47 Cb -0.06 0.23 -0.01 0.00 -0.44 0.00 0.00 34.13 33.86 2od4 s GLU 47 CO -0.03 -0.16 -0.20 0.12 0.95 0.00 0.00 175.26 175.94 2od4 s PHE 48 N -3.94 2.00 -0.14 4.83 2.19 -1.26 -0.51 117.98 121.16 2od4 s PHE 48 Ca 0.10 -0.60 0.02 0.00 0.33 0.00 0.00 56.93 56.78 2od4 s PHE 48 Cb 0.08 -1.34 0.02 0.00 -1.31 0.00 0.00 43.02 40.47 2od4 s PHE 48 CO -0.08 -0.20 -0.18 0.08 1.83 0.00 0.00 175.22 176.68 2od4 s VAL 49 N -0.01 1.77 -0.15 3.12 1.01 -1.26 -5.00 120.40 119.88 2od4 s VAL 49 Ca -0.05 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 60.91 2od4 s VAL 49 Cb -0.13 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 2od4 s VAL 49 CO 0.03 0.49 0.76 -1.58 0.00 0.00 0.00 175.10 174.81 2od4 s GLN 50 N 1.09 4.31 -0.09 2.72 0.74 -1.26 -4.26 119.66 122.90 2od4 s GLN 50 Ca -0.02 0.91 0.15 0.00 0.05 0.00 0.00 55.36 56.45 2od4 s GLN 50 Cb -0.14 -3.55 -0.23 0.00 1.10 0.00 0.00 33.01 30.19 2od4 s GLN 50 CO -0.05 -0.23 0.20 -1.13 -0.55 0.00 0.00 175.29 173.53 2od4 n SER 51 N 4.88 1.12 -1.59 6.67 3.41 -0.23 -4.95 113.62 122.92 2od4 n SER 51 Ca 0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.61 2od4 n SER 51 Cb 0.50 1.30 0.01 0.00 -0.26 0.00 0.00 64.21 65.75 2od4 n SER 51 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2od4 n ASN 52 N -2.35 -0.70 -0.24 4.04 0.23 -0.98 -4.98 115.26 110.28 2od4 n ASN 52 Ca -0.15 -1.47 0.04 0.00 -0.53 0.00 0.00 54.58 52.47 2od4 n ASN 52 Cb 0.75 1.16 0.16 0.00 -2.08 0.00 0.00 39.78 39.77 2od4 n ASN 52 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2od4 h GLU 53 N 0.00 0.21 -0.32 -3.83 4.22 -2.01 -2.85 114.58 110.00 2od4 h GLU 53 Ca -0.10 -0.01 -0.25 0.00 0.08 0.00 0.00 59.36 59.07 2od4 h GLU 53 Cb 0.39 -0.05 -0.29 0.00 0.50 0.00 0.00 28.75 29.30 2od4 h GLU 53 CO 0.13 0.14 -0.83 0.09 -2.18 0.00 0.00 179.01 176.36 2od4 n ASN 54 N -5.20 2.55 -3.93 1.04 3.02 -1.26 -4.92 115.26 106.55 2od4 n ASN 54 Ca 0.13 -3.11 -0.10 0.00 -0.03 0.00 0.00 54.58 51.47 2od4 n ASN 54 Cb 0.43 -0.42 -0.10 0.00 -0.61 0.00 0.00 39.78 39.08 2od4 n ASN 54 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2od4 s SER 55 N -3.23 0.16 0.00 6.41 0.01 -1.08 -0.88 113.70 115.09 2od4 s SER 55 Ca 0.39 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.21 2od4 s SER 55 Cb 0.38 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.79 2od4 s SER 55 CO -0.05 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.80 2od4 n GLY 56 N 1.19 1.06 3.61 3.44 0.00 -0.75 -1.07 105.19 112.67 2od4 n GLY 56 Ca -0.21 0.15 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 2od4 n GLY 56 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2od4 s TYR 58 N 1.25 -1.27 -0.14 1.61 5.04 0.39 -0.63 117.35 123.60 2od4 s TYR 58 Ca 0.00 2.24 0.02 0.00 -2.44 0.00 0.00 57.07 56.88 2od4 s TYR 58 Cb 0.00 0.74 0.01 0.00 0.35 0.00 0.00 41.96 43.07 2od4 s TYR 58 CO 0.00 -0.64 -0.19 0.42 -1.34 0.00 0.00 175.55 173.80 2od4 s ILE 59 N 2.73 1.88 -0.11 3.14 1.01 0.34 -0.15 121.20 130.05 2od4 s ILE 59 Ca -0.06 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.76 2od4 s ILE 59 Cb -0.11 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.67 2od4 s ILE 59 CO -0.18 0.51 -0.21 -0.63 0.00 0.00 0.00 174.94 174.43 2od4 s ILE 60 N 1.01 1.90 -0.21 2.92 1.09 0.43 -1.06 121.20 127.27 2od4 s ILE 60 Ca -0.04 -0.91 -0.09 0.00 -1.10 0.00 0.00 60.65 58.51 2od4 s ILE 60 Cb -0.15 -1.67 -0.05 0.00 -1.06 0.00 0.00 42.46 39.54 2od4 s ILE 60 CO -0.05 0.52 0.12 -1.00 -0.10 0.00 0.00 174.94 174.43 2od4 s HIS 61 N 0.56 3.31 0.14 3.97 3.76 -0.29 -1.09 115.29 125.66 2od4 s HIS 61 Ca -0.14 0.17 0.10 0.00 -0.15 0.00 0.00 55.06 55.04 2od4 s HIS 61 Cb -0.17 -2.18 -0.04 0.00 1.11 0.00 0.00 32.58 31.30 2od4 s HIS 61 CO 0.05 0.13 -0.21 0.71 -0.85 0.00 0.00 174.74 174.56 2od4 s TYR 62 N 0.69 2.42 0.37 1.40 2.02 0.82 -0.09 117.35 124.98 2od4 s TYR 62 Ca 0.06 -0.32 0.18 0.00 -0.37 0.00 0.00 57.07 56.63 2od4 s TYR 62 Cb -0.13 -1.27 1.00 0.00 -0.40 0.00 0.00 41.96 41.16 2od4 s TYR 62 CO 0.01 0.41 1.92 -1.00 -1.57 0.00 0.00 175.55 175.32 2od4 h PRO 63 N 3.60 0.00 -2.90 -1.71 0.13 -1.83 -1.17 132.00 128.11 2od4 h PRO 63 Ca -0.49 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.70 2od4 h PRO 63 Cb 1.18 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 2od4 h PRO 63 CO 0.45 0.26 0.26 0.16 -0.23 0.00 0.00 178.00 178.90 2od4 s ASP 64 N -6.65 -0.32 0.20 1.44 1.47 -1.26 -4.52 116.67 107.04 2od4 s ASP 64 Ca -0.03 -0.43 -0.11 0.00 1.18 0.00 0.00 52.55 53.17 2od4 s ASP 64 Cb 0.14 0.66 0.14 0.00 -0.34 0.00 0.00 42.92 43.52 2od4 s ASP 64 CO 0.67 -1.19 1.87 0.50 0.68 0.00 0.00 175.17 177.70 2od4 h LYS 65 N 2.00 0.94 -0.46 2.11 3.64 -1.89 -2.21 116.57 120.71 2od4 h LYS 65 Ca -0.23 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.15 2od4 h LYS 65 Cb 1.26 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.82 2od4 h LYS 65 CO 0.27 0.63 0.17 0.37 -2.27 0.00 0.00 179.45 178.62 2od4 h GLN 66 N 0.97 0.34 -0.41 1.90 -0.00 -1.96 0.44 115.11 116.38 2od4 h GLN 66 Ca 0.26 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.87 2od4 h GLN 66 Cb -0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.28 2od4 h GLN 66 CO -0.06 0.23 0.18 1.15 0.00 0.00 0.00 178.83 180.33 2od4 h THR 67 N 0.35 1.19 -0.60 2.39 2.02 -1.93 -1.09 112.91 115.24 2od4 h THR 67 Ca 0.21 -0.57 0.02 0.00 0.77 0.00 0.00 66.41 66.84 2od4 h THR 67 Cb 0.20 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 2od4 h THR 67 CO -0.21 0.21 0.38 0.00 0.37 0.00 0.00 175.52 176.28 2od4 h ALA 68 N 1.02 0.77 -0.23 6.16 0.00 -0.70 -0.71 119.26 125.57 2od4 h ALA 68 Ca 0.14 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 2od4 h ALA 68 Cb 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2od4 h ALA 68 CO -0.01 0.15 -0.51 0.82 0.00 0.00 0.00 179.25 179.70 2od4 h ILE 69 N 0.77 1.30 -0.29 0.00 1.08 -0.82 -2.33 117.51 117.21 2od4 h ILE 69 Ca 0.23 -1.72 -0.01 0.00 -0.39 0.00 0.00 64.86 62.97 2od4 h ILE 69 Cb -0.04 1.78 -0.01 0.00 -3.07 0.00 0.00 36.82 35.48 2od4 h ILE 69 CO -0.07 0.55 0.15 -1.28 -0.69 0.00 0.00 178.15 176.80 2od4 h SER 70 N 0.49 0.38 -0.31 1.72 0.87 -0.97 -1.99 113.55 113.74 2od4 h SER 70 Ca 0.00 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2od4 h SER 70 Cb 1.12 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 2od4 h SER 70 CO 0.11 0.39 0.18 0.58 -0.53 0.00 0.00 176.83 177.56 2od4 h VAL 71 N 0.34 1.12 -0.81 2.23 2.07 -1.17 -3.07 116.25 116.97 2od4 h VAL 71 Ca 0.10 -0.30 0.11 0.00 0.82 0.00 0.00 66.70 67.43 2od4 h VAL 71 Cb 0.10 0.76 -0.08 0.00 -1.52 0.00 0.00 31.29 30.55 2od4 h VAL 71 CO -0.01 0.12 0.43 0.15 0.02 0.00 0.00 177.57 178.28 2od4 h PHE 72 N 0.39 0.78 0.00 1.57 3.57 -1.21 0.16 116.94 122.19 2od4 h PHE 72 Ca 0.11 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 2od4 h PHE 72 Cb 0.04 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 2od4 h PHE 72 CO -0.04 0.27 -0.01 0.22 -2.23 0.00 0.00 178.31 176.52 2od4 h ASP 73 N 0.69 0.00 -0.08 0.41 3.58 -1.27 -2.35 116.42 117.40 2od4 h ASP 73 Ca 0.41 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.86 2od4 h ASP 73 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 2od4 h ASP 73 CO -0.29 0.01 0.00 0.29 -2.88 0.00 0.00 179.24 176.37 2od4 n LYS 74 N -3.49 2.22 -1.03 0.28 5.02 0.55 -4.35 118.16 117.36 2od4 n LYS 74 Ca -0.03 -1.79 0.02 0.00 -2.02 0.00 0.00 58.31 54.50 2od4 n LYS 74 Cb 0.09 -1.47 0.14 0.00 -0.02 0.00 0.00 35.03 33.78 2od4 n LYS 74 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2od4 n ILE 75 N 1.14 1.69 -0.28 -0.18 -5.35 -0.89 -4.78 119.36 110.72 2od4 n ILE 75 Ca 0.16 -2.80 0.03 0.00 -0.27 0.00 0.00 62.75 59.86 2od4 n ILE 75 Cb 0.55 0.02 0.16 0.00 -1.74 0.00 0.00 39.64 38.63 2od4 n ILE 75 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2od4 h LYS 76 N 1.17 0.71 -0.92 6.28 3.64 -1.76 -2.05 116.57 123.64 2od4 h LYS 76 Ca -0.02 -0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.44 2od4 h LYS 76 Cb 1.27 -0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 32.84 2od4 h LYS 76 CO 0.10 0.47 0.54 -1.35 -2.27 0.00 0.00 179.45 176.94 2od4 h PRO 77 N 0.73 0.79 -0.34 1.90 0.11 -1.94 0.05 132.00 133.30 2od4 h PRO 77 Ca 0.39 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.41 2od4 h PRO 77 Cb 0.38 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 2od4 h PRO 77 CO -0.26 0.53 0.05 0.93 -0.21 0.00 0.00 178.00 179.03 2od4 h GLU 78 N 0.82 0.57 -0.48 1.05 3.07 -1.78 -1.67 114.58 116.17 2od4 h GLU 78 Ca 0.47 -0.16 0.01 0.00 -0.50 0.00 0.00 59.36 59.19 2od4 h GLU 78 Cb 0.55 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.37 2od4 h GLU 78 CO -0.30 0.66 0.30 0.28 -1.40 0.00 0.00 179.01 178.54 2od4 h VAL 79 N 0.40 1.08 -0.99 3.13 2.07 -0.94 -2.11 116.25 118.88 2od4 h VAL 79 Ca 0.10 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2od4 h VAL 79 Cb 0.37 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 2od4 h VAL 79 CO 0.01 0.11 0.66 0.44 0.02 0.00 0.00 177.57 178.81 2od4 h ASP 80 N 0.60 1.13 -0.34 0.57 3.32 -0.85 -0.05 116.42 120.80 2od4 h ASP 80 Ca 0.18 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 2od4 h ASP 80 Cb -0.02 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 2od4 h ASP 80 CO -0.07 0.81 -0.08 -0.08 -1.72 0.00 0.00 179.24 178.11 2od4 h GLU 81 N 1.33 0.66 -0.50 3.56 4.81 -1.04 -2.67 114.58 120.72 2od4 h GLU 81 Ca 0.37 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 2od4 h GLU 81 Cb -0.13 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 2od4 h GLU 81 CO -0.09 0.82 0.20 0.28 -0.73 0.00 0.00 179.01 179.50 2od4 h VAL 82 N 0.44 1.21 -0.67 0.32 2.07 -0.97 -2.66 116.25 116.00 2od4 h VAL 82 Ca 0.09 -0.66 0.16 0.00 0.82 0.00 0.00 66.70 67.10 2od4 h VAL 82 Cb 0.58 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 2od4 h VAL 82 CO 0.03 0.25 0.46 0.03 0.02 0.00 0.00 177.57 178.36 2od4 h ARG 83 N 0.67 0.20 0.00 1.57 3.08 -0.91 -1.80 114.38 117.19 2od4 h ARG 83 Ca 0.17 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 2od4 h ARG 83 Cb 0.20 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2od4 h ARG 83 CO -0.01 0.14 -0.28 1.79 -1.07 0.00 0.00 179.97 180.53 2od4 h THR 84 N 0.21 0.93 -0.01 2.04 1.35 -1.12 -3.22 112.91 113.09 2od4 h THR 84 Ca 0.32 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 2od4 h THR 84 Cb 0.97 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 2od4 h THR 84 CO -0.06 0.27 -0.25 0.00 -0.25 0.00 0.00 175.52 175.23 2od4 n GLN 85 N -3.82 1.69 -3.76 4.72 1.13 -0.72 -5.03 117.38 111.59 2od4 n GLN 85 Ca -0.01 -0.85 -0.11 0.00 -1.94 0.00 0.00 57.00 54.09 2od4 n GLN 85 Cb 0.37 -1.22 -0.07 0.00 0.11 0.00 0.00 30.24 29.42 2od4 n GLN 85 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2od4 s ASN 86 N -1.64 -0.11 -0.05 1.08 0.01 -0.96 -4.47 114.94 108.79 2od4 s ASN 86 Ca 0.13 -0.20 -0.30 0.00 -0.71 0.00 0.00 52.86 51.78 2od4 s ASN 86 Cb 0.12 0.35 -0.02 0.00 0.41 0.00 0.00 41.25 42.10 2od4 s ASN 86 CO 0.33 -0.60 1.02 -0.60 -1.51 0.00 0.00 177.10 175.74 2od4 s ARG 87 N -2.51 4.47 0.14 -0.60 3.52 0.28 -4.59 118.95 119.66 2od4 s ARG 87 Ca -0.05 1.44 0.07 0.00 -0.13 0.00 0.00 55.73 57.07 2od4 s ARG 87 Cb -0.01 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 2od4 s ARG 87 CO -0.03 -0.22 -0.17 0.96 -0.81 0.00 0.00 175.30 175.03 2od4 s ILE 88 N 1.59 1.60 -0.04 4.11 -4.36 -1.26 -0.71 121.20 122.11 2od4 s ILE 88 Ca 0.51 -1.77 0.01 0.00 -0.26 0.00 0.00 60.65 59.13 2od4 s ILE 88 Cb -0.20 -1.66 0.02 0.00 1.25 0.00 0.00 42.46 41.87 2od4 s ILE 88 CO 0.23 -0.32 -0.03 -1.58 0.24 0.00 0.00 174.94 173.48 2od4 s GLN 89 N -2.60 0.68 -0.17 0.37 2.00 -0.15 -4.98 119.66 114.80 2od4 s GLN 89 Ca 0.11 -0.05 -0.04 0.00 -2.00 0.00 0.00 55.36 53.39 2od4 s GLN 89 Cb -0.06 -0.76 -0.02 0.00 0.80 0.00 0.00 33.01 32.97 2od4 s GLN 89 CO 0.05 -0.11 -0.04 0.42 -0.50 0.00 0.00 175.29 175.11 2od4 s ILE 90 N 1.01 3.75 -0.03 -2.34 1.01 -1.26 -0.55 121.20 122.79 2od4 s ILE 90 Ca -0.10 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.18 2od4 s ILE 90 Cb -0.14 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.68 2od4 s ILE 90 CO -0.01 0.47 -0.10 -0.89 0.00 0.00 0.00 174.94 174.42 2od4 s THR 91 N 0.67 0.85 0.12 2.92 2.01 -0.23 -4.99 115.64 116.98 2od4 s THR 91 Ca -0.02 -0.39 -0.18 0.00 0.31 0.00 0.00 61.69 61.41 2od4 s THR 91 Cb -0.14 -0.76 0.04 0.00 0.01 0.00 0.00 72.50 71.64 2od4 s THR 91 CO 0.02 0.27 0.45 -1.83 -0.69 0.00 0.00 174.62 172.84 2od4 s GLU 92 N 0.25 1.09 0.00 4.92 -1.05 -1.26 -0.53 118.70 122.12 2od4 s GLU 92 Ca -0.04 -0.58 0.00 0.00 -0.15 0.00 0.00 54.97 54.19 2od4 s GLU 92 Cb -0.10 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.08 2od4 s GLU 92 CO 0.01 -0.43 0.00 0.41 0.95 0.00 0.00 175.26 176.20 2od4 n GLY 93 N -0.12 -0.40 3.78 -3.83 0.00 -0.59 -5.01 105.19 99.01 2od4 n GLY 93 Ca -0.17 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 2od4 n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2od4 s LYS 94 N -2.00 4.25 -0.02 1.61 1.02 -1.26 -0.93 119.74 122.41 2od4 s LYS 94 Ca 0.00 1.50 -0.30 0.00 0.02 0.00 0.00 55.97 57.19 2od4 s LYS 94 Cb 0.00 -2.61 -0.05 0.00 -0.52 0.00 0.00 37.83 34.64 2od4 s LYS 94 CO 0.00 -0.06 1.45 0.50 -0.92 0.00 0.00 175.35 176.32 2od4 s ARG 95 N -2.38 4.25 0.01 1.68 3.52 -1.26 -4.87 118.95 119.90 2od4 s ARG 95 Ca 0.56 2.00 -0.13 0.00 -0.13 0.00 0.00 55.73 58.03 2od4 s ARG 95 Cb -0.22 -3.67 -0.33 0.00 -1.56 0.00 0.00 34.95 29.17 2od4 s ARG 95 CO 0.28 -0.65 0.89 -0.07 -0.81 0.00 0.00 175.30 174.94 2od4 h LEU 96 N 8.86 0.71 -7.08 -0.88 3.38 -2.01 -3.47 115.31 114.82 2od4 h LEU 96 Ca -0.37 -0.86 -0.02 0.00 0.09 0.00 0.00 57.88 56.72 2od4 h LEU 96 Cb 1.17 -0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.57 2od4 h LEU 96 CO 0.92 1.69 0.17 0.72 0.09 0.00 0.00 178.44 182.04 2od4 s PHE 97 N -2.60 -0.48 -0.04 1.13 -0.12 -1.26 -5.14 117.98 109.46 2od4 s PHE 97 Ca -0.11 0.25 0.02 0.00 -0.05 0.00 0.00 56.93 57.05 2od4 s PHE 97 Cb 0.05 0.52 0.01 0.00 -0.63 0.00 0.00 43.02 42.97 2od4 s PHE 97 CO 0.91 -0.84 -0.09 0.50 -0.05 0.00 0.00 175.22 175.65 2od4 s ARG 98 N -3.76 1.14 -0.07 1.99 3.52 -1.26 -5.14 118.95 115.37 2od4 s ARG 98 Ca 0.02 -0.29 0.05 0.00 -0.13 0.00 0.00 55.73 55.37 2od4 s ARG 98 Cb -0.01 -1.03 -0.01 0.00 -1.56 0.00 0.00 34.95 32.34 2od4 s ARG 98 CO -0.12 0.04 -0.23 0.08 -0.81 0.00 0.00 175.30 174.26 2od4 s VAL 99 N 0.50 2.25 0.00 7.11 1.01 -1.26 -5.29 120.40 124.71 2od4 s VAL 99 Ca -0.08 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.91 2od4 s VAL 99 Cb -0.12 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.42 2od4 s VAL 99 CO 0.01 0.57 0.00 -0.90 0.00 0.00 0.00 175.10 174.78