#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x1f s SER 17 N 0.00 -0.45 0.19 2.55 0.15 -1.26 -4.99 113.70 109.89 2x1f s SER 17 Ca 0.00 -0.16 0.26 0.00 0.70 0.00 0.00 55.95 56.75 2x1f s SER 17 Cb 0.00 0.58 0.88 0.00 -1.71 0.00 0.00 66.02 65.78 2x1f s SER 17 CO 0.00 -0.99 1.78 0.54 1.20 0.00 0.00 173.24 175.77 2x1f n ARG 18 N -0.35 0.22 -3.58 5.44 1.74 -1.26 -4.75 116.66 114.12 2x1f n ARG 18 Ca -0.15 0.23 -0.36 0.00 -0.77 0.00 0.00 57.85 56.79 2x1f n ARG 18 Cb 0.64 -1.78 -0.07 0.00 -1.02 0.00 0.00 32.46 30.23 2x1f n ARG 18 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2x1f s VAL 19 N -3.12 5.31 0.15 1.55 1.01 -1.26 -0.91 120.40 123.13 2x1f s VAL 19 Ca 0.10 0.51 0.11 0.00 0.00 0.00 0.00 61.98 62.70 2x1f s VAL 19 Cb 0.12 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2x1f s VAL 19 CO 0.55 0.42 -0.25 0.68 0.00 0.00 0.00 175.10 176.50 2x1f s VAL 20 N 0.26 2.33 -0.09 2.92 -7.23 -0.04 -1.25 120.40 117.30 2x1f s VAL 20 Ca 0.16 -1.84 -0.14 0.00 -1.81 0.00 0.00 61.98 58.35 2x1f s VAL 20 Cb -0.13 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 2x1f s VAL 20 CO 0.04 0.02 0.33 -0.47 -0.31 0.00 0.00 175.10 174.71 2x1f s TYR 21 N -1.28 3.59 -0.14 2.82 5.04 0.38 -1.14 117.35 126.62 2x1f s TYR 21 Ca 0.17 0.77 0.01 0.00 -2.44 0.00 0.00 57.07 55.58 2x1f s TYR 21 Cb -0.09 -2.28 0.02 0.00 0.35 0.00 0.00 41.96 39.96 2x1f s TYR 21 CO 0.08 0.47 -0.15 -1.17 -1.34 0.00 0.00 175.55 173.43 2x1f s LEU 22 N -0.35 1.74 0.34 6.97 2.96 0.63 -1.75 118.68 129.23 2x1f s LEU 22 Ca 0.20 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 2x1f s LEU 22 Cb -0.14 -1.18 -0.05 0.00 0.50 0.00 0.00 46.19 45.31 2x1f s LEU 22 CO 0.08 -0.02 0.08 -0.83 -1.32 0.00 0.00 176.35 174.34 2x1f s GLY 23 N 1.29 2.20 -1.30 7.98 0.00 0.67 -0.60 107.32 117.56 2x1f s GLY 23 Ca 0.01 -1.78 -0.01 0.00 0.00 0.00 0.00 44.72 42.95 2x1f s GLY 23 CO -0.08 -1.80 0.07 -1.26 0.00 0.00 0.00 173.10 170.04 2x1f n SER 24 N -0.85 -4.70 -4.71 1.64 2.88 -0.80 -1.38 113.62 105.71 2x1f n SER 24 Ca -0.03 -0.05 -0.42 0.00 -1.33 0.00 0.00 58.87 57.04 2x1f n SER 24 Cb 0.66 -3.79 -0.03 0.00 -0.75 0.00 0.00 64.21 60.30 2x1f n SER 24 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2x1f s ILE 25 N -2.81 4.69 0.21 2.46 1.01 -0.35 -4.59 121.20 121.82 2x1f s ILE 25 Ca 0.04 1.94 -0.32 0.00 0.00 0.00 0.00 60.65 62.31 2x1f s ILE 25 Cb -0.02 -4.24 -0.14 0.00 0.01 0.00 0.00 42.46 38.07 2x1f s ILE 25 CO 0.04 0.16 1.37 -2.65 0.00 0.00 0.00 174.94 173.86 2x1f n PRO 26 N 3.86 1.83 0.27 2.79 -0.02 -1.26 -4.27 135.00 138.20 2x1f n PRO 26 Ca 0.06 0.65 0.11 0.00 -2.02 0.00 0.00 63.50 62.31 2x1f n PRO 26 Cb 0.50 -2.29 0.75 0.00 -0.02 0.00 0.00 33.50 32.44 2x1f n PRO 26 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 2x1f h TYR 27 N 4.21 0.00 0.00 6.00 0.05 -1.94 -2.14 116.97 123.15 2x1f h TYR 27 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.33 2x1f h TYR 27 Cb 1.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.03 2x1f h TYR 27 CO 0.57 0.05 -0.31 -0.40 -1.05 0.00 0.00 178.16 177.02 2x1f n ASP 28 N -4.06 0.66 -4.70 3.88 5.75 -1.26 0.17 116.55 116.98 2x1f n ASP 28 Ca -0.03 0.30 -0.44 0.00 -0.01 0.00 0.00 54.79 54.62 2x1f n ASP 28 Cb 0.14 -0.27 -0.03 0.00 -1.03 0.00 0.00 41.12 39.92 2x1f n ASP 28 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2x1f n GLN 29 N -2.05 2.46 -2.40 0.11 1.13 -0.81 -4.90 117.38 110.91 2x1f n GLN 29 Ca 0.05 0.88 -0.24 0.00 -1.94 0.00 0.00 57.00 55.75 2x1f n GLN 29 Cb 0.42 -2.67 0.05 0.00 0.11 0.00 0.00 30.24 28.15 2x1f n GLN 29 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2x1f s THR 30 N 0.79 2.65 0.35 5.09 -4.23 -1.26 -4.68 115.64 114.34 2x1f s THR 30 Ca 0.74 -0.37 0.02 0.00 -1.18 0.00 0.00 61.69 60.90 2x1f s THR 30 Cb -0.58 -3.08 0.25 0.00 1.34 0.00 0.00 72.50 70.42 2x1f s THR 30 CO 0.38 -0.07 1.99 -0.08 -0.54 0.00 0.00 174.62 176.30 2x1f h GLU 31 N -0.29 0.80 -0.56 3.99 4.81 -1.98 -1.85 114.58 119.51 2x1f h GLU 31 Ca -0.44 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 58.64 2x1f h GLU 31 Cb 1.30 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 2x1f h GLU 31 CO 0.58 0.56 0.02 0.93 -0.73 0.00 0.00 179.01 180.37 2x1f h GLU 32 N 0.82 0.97 -0.52 1.92 3.07 -1.98 0.93 114.58 119.78 2x1f h GLU 32 Ca 0.22 -0.29 -0.10 0.00 -0.50 0.00 0.00 59.36 58.68 2x1f h GLU 32 Cb -0.03 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 2x1f h GLU 32 CO -0.04 0.96 -0.08 1.96 -1.40 0.00 0.00 179.01 180.40 2x1f h GLN 33 N 0.85 0.95 -0.31 2.33 4.20 -1.83 0.02 115.11 121.32 2x1f h GLN 33 Ca 0.16 -0.33 -0.18 0.00 0.06 0.00 0.00 58.65 58.37 2x1f h GLN 33 Cb 0.51 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 2x1f h GLN 33 CO 0.02 0.99 -0.49 0.82 -0.67 0.00 0.00 178.83 179.50 2x1f h ILE 34 N 0.86 1.27 -0.36 2.54 1.08 -1.19 -1.37 117.51 120.35 2x1f h ILE 34 Ca 0.14 -1.67 0.03 0.00 -0.39 0.00 0.00 64.86 62.97 2x1f h ILE 34 Cb 0.62 1.57 -0.03 0.00 -3.07 0.00 0.00 36.82 35.91 2x1f h ILE 34 CO 0.04 0.55 0.16 0.25 -0.69 0.00 0.00 178.15 178.46 2x1f h LEU 35 N 0.68 0.23 -0.47 1.44 5.85 -0.65 -0.31 115.31 122.07 2x1f h LEU 35 Ca 0.03 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.80 2x1f h LEU 35 Cb 1.10 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 2x1f h LEU 35 CO 0.11 0.17 0.26 -0.78 -0.34 0.00 0.00 178.44 177.87 2x1f h ASP 36 N 0.34 0.40 0.20 1.25 3.58 -0.89 -0.05 116.42 121.26 2x1f h ASP 36 Ca 0.15 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.62 2x1f h ASP 36 Cb 0.08 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 2x1f h ASP 36 CO -0.12 0.29 -0.23 0.25 -2.88 0.00 0.00 179.24 176.55 2x1f h LEU 37 N 0.52 -0.62 -1.74 2.28 5.85 -0.94 -2.89 115.31 117.77 2x1f h LEU 37 Ca 0.20 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 2x1f h LEU 37 Cb 0.06 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 2x1f h LEU 37 CO -0.11 -0.33 -0.17 0.00 -0.34 0.00 0.00 178.44 177.49 2x1f h SER 39 N 0.00 0.00 0.59 0.00 4.64 -0.79 -0.09 113.55 117.91 2x1f h SER 39 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2x1f h SER 39 Cb 0.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2x1f h SER 39 CO 0.02 0.08 -0.04 0.78 -0.87 0.00 0.00 176.83 176.80 2x1f h ASN 40 N 0.00 0.00 0.00 4.97 2.35 -1.43 -3.16 115.58 118.32 2x1f h ASN 40 Ca -0.00 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 2x1f h ASN 40 Cb 0.28 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 2x1f h ASN 40 CO 0.01 0.04 -0.67 0.58 -1.65 0.00 0.00 177.43 175.74 2x1f h VAL 41 N 0.00 0.94 0.00 2.81 2.07 -1.18 -3.51 116.25 117.38 2x1f h VAL 41 Ca -0.00 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.58 2x1f h VAL 41 Cb 0.35 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 2x1f h VAL 41 CO 0.01 0.32 0.00 0.61 0.02 0.00 0.00 177.57 178.52 2x1f n GLY 42 N 1.54 0.17 3.69 2.17 0.00 -0.97 -4.87 105.19 106.92 2x1f n GLY 42 Ca -0.19 -0.94 -0.44 0.00 0.00 0.00 0.00 46.02 44.45 2x1f n GLY 42 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2x1f n PRO 43 N -0.21 2.11 -4.15 1.61 -0.02 -1.26 -4.15 135.00 128.92 2x1f n PRO 43 Ca 0.00 0.75 -0.35 0.00 -2.02 0.00 0.00 63.50 61.88 2x1f n PRO 43 Cb 0.00 -2.38 -0.13 0.00 -0.02 0.00 0.00 33.50 30.98 2x1f n PRO 43 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2x1f s VAL 44 N -0.46 3.86 -0.13 -1.45 1.01 -1.26 -2.49 120.40 119.48 2x1f s VAL 44 Ca 0.63 -0.35 0.19 0.00 0.00 0.00 0.00 61.98 62.45 2x1f s VAL 44 Cb -0.61 -2.73 -0.25 0.00 0.00 0.00 0.00 36.38 32.79 2x1f s VAL 44 CO 0.54 0.45 0.36 2.30 0.00 0.00 0.00 175.10 178.75 2x1f n ILE 45 N 4.11 0.92 -3.82 2.22 -5.35 0.11 -4.96 119.36 112.60 2x1f n ILE 45 Ca -0.17 -0.71 -0.12 0.00 -0.27 0.00 0.00 62.75 61.47 2x1f n ILE 45 Cb 0.52 -0.38 -0.10 0.00 -1.74 0.00 0.00 39.64 37.94 2x1f n ILE 45 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2x1f s ASN 46 N -5.25 -0.10 -0.15 7.28 0.01 -1.13 -5.01 114.94 110.59 2x1f s ASN 46 Ca -0.08 0.01 -0.06 0.00 -0.71 0.00 0.00 52.86 52.03 2x1f s ASN 46 Cb 0.09 0.29 0.07 0.00 0.41 0.00 0.00 41.25 42.11 2x1f s ASN 46 CO 0.85 -0.36 0.32 -0.22 -1.51 0.00 0.00 177.10 176.18 2x1f s LEU 47 N -1.14 -0.41 -0.21 0.60 0.20 -1.26 -0.84 118.68 115.61 2x1f s LEU 47 Ca -0.12 0.74 -0.02 0.00 0.69 0.00 0.00 54.13 55.42 2x1f s LEU 47 Cb -0.06 0.94 0.01 0.00 -0.43 0.00 0.00 46.19 46.65 2x1f s LEU 47 CO 0.02 -0.24 -0.10 -0.54 -0.29 0.00 0.00 176.35 175.21 2x1f s LYS 48 N 2.46 3.10 0.28 1.98 1.02 0.09 -4.99 119.74 123.69 2x1f s LYS 48 Ca -0.00 -0.79 0.02 0.00 0.02 0.00 0.00 55.97 55.22 2x1f s LYS 48 Cb -0.12 -2.86 -0.05 0.00 -0.52 0.00 0.00 37.83 34.28 2x1f s LYS 48 CO -0.10 -0.26 0.09 -1.64 -0.92 0.00 0.00 175.35 172.53 2x1f s MET 49 N 1.38 1.51 -0.02 1.68 -1.94 -1.26 -1.09 119.30 119.55 2x1f s MET 49 Ca 0.04 -1.83 0.03 0.00 -1.71 0.00 0.00 55.69 52.23 2x1f s MET 49 Cb -0.14 -0.42 -0.00 0.00 2.01 0.00 0.00 34.83 36.27 2x1f s MET 49 CO -0.07 -0.28 -0.12 -1.64 -0.01 0.00 0.00 175.02 172.90 2x1f s MET 50 N -3.97 1.07 0.02 2.03 -1.94 -1.26 -5.08 119.30 110.16 2x1f s MET 50 Ca 0.37 -0.41 0.04 0.00 -1.71 0.00 0.00 55.69 53.98 2x1f s MET 50 Cb 0.08 -1.00 -0.02 0.00 2.01 0.00 0.00 34.83 35.90 2x1f s MET 50 CO 0.14 0.21 -0.11 -0.06 -0.01 0.00 0.00 175.02 175.19 2x1f s PHE 51 N -0.08 1.00 0.10 -0.03 0.08 -1.26 -1.60 117.98 116.19 2x1f s PHE 51 Ca 0.01 -0.29 -0.31 0.00 0.12 0.00 0.00 56.93 56.45 2x1f s PHE 51 Cb -0.07 -0.61 -0.08 0.00 -0.57 0.00 0.00 43.02 41.70 2x1f s PHE 51 CO 0.00 -0.00 1.40 0.34 -0.10 0.00 0.00 175.22 176.86 2x1f s ASP 52 N -0.83 6.82 0.56 1.36 2.15 -0.31 -4.92 116.67 121.49 2x1f s ASP 52 Ca 0.01 2.31 0.33 0.00 0.43 0.00 0.00 52.55 55.63 2x1f s ASP 52 Cb -0.06 -2.58 1.62 0.00 -0.30 0.00 0.00 42.92 41.59 2x1f s ASP 52 CO 0.00 -0.67 2.10 -0.65 -0.17 0.00 0.00 175.17 175.79 2x1f h PRO 53 N 6.96 0.00 0.07 4.34 0.11 -1.98 0.12 132.00 141.62 2x1f h PRO 53 Ca -0.42 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.36 2x1f h PRO 53 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2x1f h PRO 53 CO 0.87 0.06 -1.86 1.04 -0.21 0.00 0.00 178.00 177.91 2x1f n GLN 54 N -3.34 0.70 -0.05 1.05 3.00 -1.26 -4.58 117.38 112.89 2x1f n GLN 54 Ca -0.01 0.28 -0.02 0.00 -0.01 0.00 0.00 57.00 57.24 2x1f n GLN 54 Cb 0.23 -1.75 -0.13 0.00 0.00 0.00 0.00 30.24 28.59 2x1f n GLN 54 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2x1f n THR 55 N -3.28 0.71 -0.98 5.09 -2.24 -1.16 -4.99 114.28 107.43 2x1f n THR 55 Ca -0.25 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 2x1f n THR 55 Cb 1.05 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 2x1f n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x1f n GLY 56 N 1.85 0.68 3.76 3.38 0.00 0.02 -5.01 105.19 109.88 2x1f n GLY 56 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 2x1f n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x1f s ARG 57 N -0.12 4.69 0.90 1.61 1.81 -1.26 -4.76 118.95 121.82 2x1f s ARG 57 Ca 0.00 1.31 -0.14 0.00 -1.72 0.00 0.00 55.73 55.18 2x1f s ARG 57 Cb 0.00 -3.30 0.15 0.00 -0.45 0.00 0.00 34.95 31.36 2x1f s ARG 57 CO 0.00 0.46 1.26 -1.54 -0.68 0.00 0.00 175.30 174.80 2x1f s SER 58 N -0.85 3.65 0.00 0.23 1.04 0.13 -1.16 113.70 116.74 2x1f s SER 58 Ca 0.40 0.43 0.21 0.00 0.48 0.00 0.00 55.95 57.47 2x1f s SER 58 Cb -0.24 -0.64 0.59 0.00 0.10 0.00 0.00 66.02 65.83 2x1f s SER 58 CO 0.29 -2.41 1.50 0.29 0.98 0.00 0.00 173.24 173.88 2x1f n LYS 59 N -3.57 2.57 -0.26 4.02 4.76 -0.63 -4.76 118.16 120.29 2x1f n LYS 59 Ca 0.13 -2.43 0.00 0.00 -2.87 0.00 0.00 58.31 53.13 2x1f n LYS 59 Cb 0.60 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 2x1f n LYS 59 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2x1f n GLY 60 N 1.58 0.81 3.42 0.72 0.00 -1.26 -5.00 105.19 105.46 2x1f n GLY 60 Ca 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 2x1f n GLY 60 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2x1f s TYR 61 N -2.13 0.38 -0.01 1.61 -0.85 -1.26 -1.21 117.35 113.89 2x1f s TYR 61 Ca 0.00 -0.73 -0.20 0.00 -0.52 0.00 0.00 57.07 55.62 2x1f s TYR 61 Cb 0.00 0.02 0.04 0.00 0.38 0.00 0.00 41.96 42.40 2x1f s TYR 61 CO 0.00 -0.81 0.43 0.00 -1.52 0.00 0.00 175.55 173.65 2x1f s ALA 62 N -3.98 -1.08 -0.15 9.51 0.00 0.24 -4.51 121.76 121.79 2x1f s ALA 62 Ca 0.19 0.56 -0.03 0.00 0.00 0.00 0.00 51.96 52.68 2x1f s ALA 62 Cb 0.02 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 2x1f s ALA 62 CO 0.03 -0.34 -0.06 -0.06 0.00 0.00 0.00 175.76 175.34 2x1f s PHE 63 N -1.60 2.98 -0.12 0.00 0.08 -0.25 -0.26 117.98 118.81 2x1f s PHE 63 Ca -0.11 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.61 2x1f s PHE 63 Cb -0.03 -1.93 0.02 0.00 -0.57 0.00 0.00 43.02 40.51 2x1f s PHE 63 CO 0.04 -0.05 -0.14 0.42 -0.10 0.00 0.00 175.22 175.39 2x1f s ILE 64 N 0.31 1.45 -0.31 0.64 1.09 -0.29 -0.73 121.20 123.35 2x1f s ILE 64 Ca -0.05 -0.58 -0.13 0.00 -1.10 0.00 0.00 60.65 58.79 2x1f s ILE 64 Cb -0.14 -1.35 -0.03 0.00 -1.06 0.00 0.00 42.46 39.87 2x1f s ILE 64 CO 0.03 0.43 0.24 -0.70 -0.10 0.00 0.00 174.94 174.85 2x1f s GLU 65 N 1.25 3.74 0.56 2.79 2.12 -0.02 -0.86 118.70 128.27 2x1f s GLU 65 Ca -0.01 -0.43 -0.03 0.00 0.36 0.00 0.00 54.97 54.86 2x1f s GLU 65 Cb -0.14 -3.73 0.02 0.00 0.26 0.00 0.00 34.13 30.54 2x1f s GLU 65 CO -0.05 -0.33 0.83 -0.06 -0.54 0.00 0.00 175.26 175.11 2x1f s PHE 66 N 1.80 3.11 0.17 5.30 0.08 -0.09 -0.71 117.98 127.64 2x1f s PHE 66 Ca 0.08 0.37 0.15 0.00 0.12 0.00 0.00 56.93 57.64 2x1f s PHE 66 Cb -0.17 -2.70 0.43 0.00 -0.57 0.00 0.00 43.02 40.01 2x1f s PHE 66 CO 0.11 -0.80 1.62 0.07 -0.10 0.00 0.00 175.22 176.12 2x1f h ARG 67 N -0.04 0.00 -3.86 0.44 0.11 -1.80 -3.44 114.38 105.79 2x1f h ARG 67 Ca -0.45 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.53 2x1f h ARG 67 Cb 1.27 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.23 2x1f h ARG 67 CO 0.58 0.53 -0.29 0.16 0.10 0.00 0.00 179.97 181.05 2x1f s ASP 68 N -6.60 0.01 0.34 0.08 1.47 -1.26 -5.06 116.67 105.65 2x1f s ASP 68 Ca 0.00 -0.89 0.16 0.00 1.18 0.00 0.00 52.55 53.00 2x1f s ASP 68 Cb 0.11 0.46 0.57 0.00 -0.34 0.00 0.00 42.92 43.73 2x1f s ASP 68 CO 0.73 -0.93 1.70 -0.07 0.68 0.00 0.00 175.17 177.27 2x1f h LEU 69 N 2.49 0.00 -0.82 2.11 3.38 -1.90 -2.44 115.31 118.12 2x1f h LEU 69 Ca -0.31 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 2x1f h LEU 69 Cb 1.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 2x1f h LEU 69 CO 0.46 0.45 0.51 -0.33 0.09 0.00 0.00 178.44 179.62 2x1f h GLU 70 N 0.00 1.11 -0.19 1.13 3.07 -1.97 -0.61 114.58 117.13 2x1f h GLU 70 Ca -0.00 -0.09 -0.08 0.00 -0.50 0.00 0.00 59.36 58.68 2x1f h GLU 70 Cb 0.96 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 28.63 2x1f h GLU 70 CO 0.06 0.77 -0.20 0.77 -1.40 0.00 0.00 179.01 179.01 2x1f h SER 71 N 1.13 0.50 -0.34 1.42 0.02 -1.80 -1.60 113.55 112.87 2x1f h SER 71 Ca 0.30 -0.49 -0.07 0.00 -0.84 0.00 0.00 61.79 60.69 2x1f h SER 71 Cb -0.07 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 2x1f h SER 71 CO -0.06 0.88 -0.01 0.77 -1.14 0.00 0.00 176.83 177.28 2x1f h SER 72 N 0.13 0.68 -0.65 3.07 4.64 -1.35 0.73 113.55 120.80 2x1f h SER 72 Ca 0.03 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2x1f h SER 72 Cb 0.75 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.63 2x1f h SER 72 CO 0.05 0.75 0.41 0.00 -0.87 0.00 0.00 176.83 177.18 2x1f h ALA 73 N 1.32 0.83 -0.38 5.18 0.00 -1.03 -1.53 119.26 123.65 2x1f h ALA 73 Ca 0.13 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2x1f h ALA 73 Cb 0.43 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2x1f h ALA 73 CO 0.02 0.28 -0.02 1.03 0.00 0.00 0.00 179.25 180.56 2x1f h SER 74 N 0.88 0.57 -0.20 0.00 0.87 -0.72 -1.15 113.55 113.82 2x1f h SER 74 Ca 0.24 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 2x1f h SER 74 Cb -0.07 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 2x1f h SER 74 CO -0.05 0.66 0.06 0.00 -0.53 0.00 0.00 176.83 176.97 2x1f h ALA 75 N 1.41 0.26 -0.77 6.23 0.00 -0.43 0.15 119.26 126.11 2x1f h ALA 75 Ca 0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2x1f h ALA 75 Cb 0.39 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2x1f h ALA 75 CO 0.02 -0.11 0.32 0.28 0.00 0.00 0.00 179.25 179.76 2x1f h VAL 76 N 0.14 1.26 -0.26 0.00 2.07 -0.96 0.14 116.25 118.63 2x1f h VAL 76 Ca 0.06 -0.79 -0.11 0.00 0.82 0.00 0.00 66.70 66.68 2x1f h VAL 76 Cb 0.25 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2x1f h VAL 76 CO -0.00 0.32 -0.29 -0.09 0.02 0.00 0.00 177.57 177.54 2x1f h ARG 77 N 1.11 0.65 0.00 1.57 2.43 -1.08 -3.25 114.38 115.81 2x1f h ARG 77 Ca 0.26 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2x1f h ARG 77 Cb 0.20 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2x1f h ARG 77 CO -0.02 0.96 -1.44 0.09 -1.51 0.00 0.00 179.97 178.05 2x1f n ASN 78 N -4.29 1.03 0.01 -3.80 3.02 0.51 -4.28 115.26 107.46 2x1f n ASN 78 Ca -0.04 -0.29 -0.01 0.00 -0.03 0.00 0.00 54.58 54.20 2x1f n ASN 78 Cb 0.47 1.52 -0.10 0.00 -0.61 0.00 0.00 39.78 41.06 2x1f n ASN 78 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2x1f n LEU 79 N -1.85 0.76 -4.67 3.41 4.77 0.46 -4.50 117.00 115.37 2x1f n LEU 79 Ca -0.01 0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 55.88 2x1f n LEU 79 Cb 0.38 0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 2x1f n LEU 79 CO 0.35 0.19 1.32 0.21 -1.33 0.00 0.00 177.39 178.13 2x1f s ASN 80 N -5.74 6.68 0.00 -1.43 2.47 -1.23 -1.87 114.94 113.83 2x1f s ASN 80 Ca -0.04 2.27 0.00 0.00 0.42 0.00 0.00 52.86 55.51 2x1f s ASN 80 Cb 0.09 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 2x1f s ASN 80 CO 0.82 -0.89 0.00 0.61 -3.72 0.00 0.00 177.10 173.92 2x1f n GLY 81 N 4.03 0.81 3.69 1.21 0.00 0.54 -4.93 105.19 110.54 2x1f n GLY 81 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2x1f n GLY 81 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2x1f s TYR 82 N -3.14 2.70 -0.37 1.61 5.04 -0.78 -4.63 117.35 117.77 2x1f s TYR 82 Ca 0.00 0.63 -0.27 0.00 -2.44 0.00 0.00 57.07 54.98 2x1f s TYR 82 Cb 0.00 -3.78 0.02 0.00 0.35 0.00 0.00 41.96 38.55 2x1f s TYR 82 CO 0.00 -3.00 1.00 -1.14 -1.34 0.00 0.00 175.55 171.07 2x1f s GLN 83 N 2.46 3.89 -0.28 4.97 0.74 -1.26 -0.82 119.66 129.36 2x1f s GLN 83 Ca 0.68 0.73 0.01 0.00 0.05 0.00 0.00 55.36 56.83 2x1f s GLN 83 Cb -0.35 -3.80 0.06 0.00 1.10 0.00 0.00 33.01 30.02 2x1f s GLN 83 CO 0.29 -1.00 -0.07 -1.17 -0.55 0.00 0.00 175.29 172.79 2x1f s LEU 84 N 3.67 3.66 0.00 3.68 2.96 0.30 -4.96 118.68 127.99 2x1f s LEU 84 Ca 0.42 -1.40 0.00 0.00 -0.22 0.00 0.00 54.13 52.93 2x1f s LEU 84 Cb -0.11 -1.61 0.00 0.00 0.50 0.00 0.00 46.19 44.97 2x1f s LEU 84 CO 0.20 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.61 2x1f n GLY 85 N 4.48 3.37 0.83 7.98 0.00 -1.26 -2.21 105.19 118.38 2x1f n GLY 85 Ca -0.13 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 45.89 2x1f n GLY 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2x1f n SER 86 N 7.04 2.52 -4.62 1.61 3.41 -1.26 -4.97 113.62 117.36 2x1f n SER 86 Ca 0.00 -1.84 -0.28 0.00 -0.26 0.00 0.00 58.87 56.49 2x1f n SER 86 Cb 0.00 -0.12 -0.09 0.00 -0.26 0.00 0.00 64.21 63.74 2x1f n SER 86 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2x1f s ARG 87 N -1.76 2.27 -0.29 4.33 0.52 -0.94 -5.10 118.95 117.98 2x1f s ARG 87 Ca 0.34 -1.06 -0.08 0.00 -0.52 0.00 0.00 55.73 54.42 2x1f s ARG 87 Cb 0.20 -2.34 -0.01 0.00 0.52 0.00 0.00 34.95 33.33 2x1f s ARG 87 CO 0.30 0.48 0.11 -0.06 0.02 0.00 0.00 175.30 176.15 2x1f s PHE 88 N -1.47 3.15 0.66 -0.53 0.08 -1.26 -0.54 117.98 118.07 2x1f s PHE 88 Ca 0.25 -0.67 -0.15 0.00 0.12 0.00 0.00 56.93 56.48 2x1f s PHE 88 Cb -0.10 -2.30 -0.00 0.00 -0.57 0.00 0.00 43.02 40.05 2x1f s PHE 88 CO 0.16 -0.47 1.11 -0.51 -0.10 0.00 0.00 175.22 175.41 2x1f s LEU 89 N 1.58 3.39 -0.08 -0.37 1.43 -0.00 -4.81 118.68 119.82 2x1f s LEU 89 Ca 0.04 2.00 0.04 0.00 -1.03 0.00 0.00 54.13 55.19 2x1f s LEU 89 Cb -0.17 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.49 2x1f s LEU 89 CO 0.04 -1.63 -0.19 -0.54 0.23 0.00 0.00 176.35 174.26 2x1f s LYS 90 N -4.09 2.80 -0.02 1.70 1.02 -0.48 -0.34 119.74 120.34 2x1f s LYS 90 Ca 0.67 -0.79 -0.00 0.00 0.02 0.00 0.00 55.97 55.87 2x1f s LYS 90 Cb -0.21 -2.35 0.03 0.00 -0.52 0.00 0.00 37.83 34.78 2x1f s LYS 90 CO 0.41 0.38 0.04 0.00 -0.92 0.00 0.00 175.35 175.27 2x1f s GLY 92 N 0.99 0.55 0.31 0.00 0.00 -0.72 -4.64 107.32 103.82 2x1f s GLY 92 Ca -0.08 -0.96 -0.29 0.00 0.00 0.00 0.00 44.72 43.39 2x1f s GLY 92 CO -0.03 -0.90 1.32 -0.19 0.00 0.00 0.00 173.10 173.30 2x1f s TYR 93 N -3.98 3.07 0.54 1.90 2.02 -1.26 -0.47 117.35 119.17 2x1f s TYR 93 Ca 0.18 1.37 -0.20 0.00 -0.37 0.00 0.00 57.07 58.05 2x1f s TYR 93 Cb 0.04 -3.68 -0.06 0.00 -0.40 0.00 0.00 41.96 37.86 2x1f s TYR 93 CO 0.00 -1.92 1.14 0.45 -1.57 0.00 0.00 175.55 173.66 2x1f s SER 94 N -0.35 5.69 0.05 2.29 0.15 -0.38 -4.65 113.70 116.50 2x1f s SER 94 Ca 0.50 2.22 0.22 0.00 0.70 0.00 0.00 55.95 59.60 2x1f s SER 94 Cb -0.40 -2.59 0.92 0.00 -1.71 0.00 0.00 66.02 62.25 2x1f s SER 94 CO 0.51 -1.24 1.70 -1.54 1.20 0.00 0.00 173.24 173.87 2x1f n SER 95 N -1.26 0.14 -4.83 5.45 3.41 -1.26 -4.71 113.62 110.56 2x1f n SER 95 Ca 0.11 0.52 -0.37 0.00 -0.26 0.00 0.00 58.87 58.88 2x1f n SER 95 Cb 0.50 -0.56 -0.06 0.00 -0.26 0.00 0.00 64.21 63.83 2x1f n SER 95 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2x1f s ASN 96 N -3.27 6.55 0.45 4.04 -0.87 -1.26 -5.00 114.94 115.58 2x1f s ASN 96 Ca 0.10 0.65 0.24 0.00 -1.57 0.00 0.00 52.86 52.28 2x1f s ASN 96 Cb 0.14 -2.16 0.46 0.00 -0.02 0.00 0.00 41.25 39.67 2x1f s ASN 96 CO 0.41 0.31 1.65 0.77 -2.57 0.00 0.00 177.10 177.68 2x1f h SER 97 N 5.25 0.00 -5.37 -1.22 4.64 -1.94 -3.41 113.55 111.50 2x1f h SER 97 Ca -0.51 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.65 2x1f h SER 97 Cb 1.21 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.15 2x1f h SER 97 CO 0.63 0.00 -0.64 1.51 -0.87 0.00 0.00 176.83 177.46 2x1f s ASP 98 N -6.13 0.34 0.53 4.97 -4.77 -1.26 -4.55 116.67 105.81 2x1f s ASP 98 Ca 0.06 -1.14 0.29 0.00 -3.30 0.00 0.00 52.55 48.46 2x1f s ASP 98 Cb 0.06 0.28 1.50 0.00 -1.09 0.00 0.00 42.92 43.66 2x1f s ASP 98 CO 0.65 -0.70 2.08 -0.29 0.70 0.00 0.00 175.17 177.62 2x1f h ILE 99 N 2.93 0.49 -0.61 2.11 6.09 -2.00 -3.25 117.51 123.27 2x1f h ILE 99 Ca -0.35 -0.50 0.05 0.00 -1.37 0.00 0.00 64.86 62.70 2x1f h ILE 99 Cb 1.19 1.33 -0.04 0.00 0.47 0.00 0.00 36.82 39.77 2x1f h ILE 99 CO 0.60 0.10 0.40 0.77 -3.07 0.00 0.00 178.15 176.96 2x1f h SER 100 N 0.00 0.55 -0.23 2.19 4.64 -1.99 -3.00 113.55 115.72 2x1f h SER 100 Ca -0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2x1f h SER 100 Cb 0.32 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2x1f h SER 100 CO 0.01 0.37 0.00 0.61 -0.87 0.00 0.00 176.83 176.95 2x1f n GLY 101 N -1.47 1.26 0.22 -0.77 0.00 -1.23 -4.60 105.19 98.60 2x1f n GLY 101 Ca 0.08 -0.68 0.06 0.00 0.00 0.00 0.00 46.02 45.48 2x1f n GLY 101 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2x1f h VAL 102 N 4.21 1.04 -0.30 1.61 -1.51 -1.74 -2.09 116.25 117.48 2x1f h VAL 102 Ca 0.00 -0.81 -0.04 0.00 -1.23 0.00 0.00 66.70 64.62 2x1f h VAL 102 Cb 0.92 1.45 -0.02 0.00 -2.13 0.00 0.00 31.29 31.51 2x1f h VAL 102 CO 0.00 0.22 0.03 0.77 -1.23 0.00 0.00 177.57 177.36 2x1f h SER 103 N 0.00 0.40 0.08 4.19 4.64 -1.84 -0.85 113.55 120.17 2x1f h SER 103 Ca -0.00 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2x1f h SER 103 Cb 0.43 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2x1f h SER 103 CO 0.03 0.45 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.33 2x1f h LEU 104 N 0.43 -0.09 -0.20 5.97 4.07 -1.72 -2.39 115.31 121.38 2x1f h LEU 104 Ca 0.10 -0.13 0.05 0.00 0.08 0.00 0.00 57.88 57.97 2x1f h LEU 104 Cb 0.24 0.02 -0.05 0.00 1.08 0.00 0.00 40.66 41.96 2x1f h LEU 104 CO 0.00 0.08 -0.09 -0.08 -1.08 0.00 0.00 178.44 177.27 2x1f h GLU 105 N -0.25 -0.06 -0.15 1.13 4.81 -1.44 -2.99 114.58 115.62 2x1f h GLU 105 Ca -0.01 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2x1f h GLU 105 Cb 0.21 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2x1f h GLU 105 CO 0.02 -0.04 -0.25 1.25 -0.73 0.00 0.00 179.01 179.25 2x1f h HIS 106 N -0.07 0.30 -0.04 0.92 2.76 -1.08 -2.35 115.15 115.59 2x1f h HIS 106 Ca 0.11 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2x1f h HIS 106 Cb 0.23 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.11 2x1f h HIS 106 CO -0.25 0.51 0.00 0.72 -1.30 0.00 0.00 177.93 177.60 2x1f n HIS 107 N -4.15 0.06 0.73 5.26 8.25 -0.91 -1.71 115.22 122.74 2x1f n HIS 107 Ca -0.01 -0.03 0.09 0.00 -0.26 0.00 0.00 57.72 57.51 2x1f n HIS 107 Cb 0.37 -0.01 0.08 0.00 1.12 0.00 0.00 29.99 31.55 2x1f n HIS 107 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2x1f n HIS 108 N -0.35 0.02 0.82 4.41 -0.00 -0.88 -5.08 115.22 114.15 2x1f n HIS 108 Ca 0.01 -0.01 0.10 0.00 -0.00 0.00 0.00 57.72 57.82 2x1f n HIS 108 Cb 0.06 -0.00 0.08 0.00 -0.00 0.00 0.00 29.99 30.13 2x1f n HIS 108 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06