#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5e n SER 2 N 0.00 0.75 -4.01 1.61 2.88 -1.26 -4.85 113.62 108.74 1x5e n SER 2 Ca 0.00 -0.18 -0.32 0.00 -1.33 0.00 0.00 58.87 57.03 1x5e n SER 2 Cb 0.00 -1.11 -0.13 0.00 -0.75 0.00 0.00 64.21 62.23 1x5e n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5e s SER 3 N 9.06 4.71 -0.44 -3.46 0.15 -1.26 -4.91 113.70 117.56 1x5e s SER 3 Ca 1.23 -2.79 0.06 0.00 0.70 0.00 0.00 55.95 55.14 1x5e s SER 3 Cb -0.85 -1.71 0.32 0.00 -1.71 0.00 0.00 66.02 62.06 1x5e s SER 3 CO 0.41 -0.31 1.16 0.61 1.20 0.00 0.00 173.24 176.31 1x5e n GLY 4 N 3.47 0.24 0.42 9.45 0.00 -1.26 -5.03 105.19 112.47 1x5e n GLY 4 Ca 0.05 0.16 -0.16 0.00 0.00 0.00 0.00 46.02 46.08 1x5e n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x5e h SER 5 N 2.90 -0.87 -3.45 1.61 0.02 -2.01 -3.46 113.55 108.29 1x5e h SER 5 Ca -0.14 0.03 -0.19 0.00 -0.84 0.00 0.00 61.79 60.65 1x5e h SER 5 Cb 1.12 0.23 -0.29 0.00 0.14 0.00 0.00 62.40 63.59 1x5e h SER 5 CO 0.11 -0.54 -0.47 -0.55 -1.14 0.00 0.00 176.83 174.24 1x5e s SER 6 N -4.13 -0.26 0.00 3.07 0.15 -1.26 -4.99 113.70 106.27 1x5e s SER 6 Ca -0.15 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.02 1x5e s SER 6 Cb 0.02 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1x5e s SER 6 CO 0.45 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.35 1x5e n GLY 7 N 3.95 -0.40 0.49 9.45 0.00 -1.26 -4.89 105.19 112.53 1x5e n GLY 7 Ca -0.23 -0.19 0.30 0.00 0.00 0.00 0.00 46.02 45.90 1x5e n GLY 7 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1x5e h ASN 8 N 0.00 0.00 -3.35 1.61 4.21 -1.91 -3.39 115.58 112.75 1x5e h ASN 8 Ca 0.00 0.00 -0.56 0.00 1.21 0.00 0.00 56.30 56.95 1x5e h ASN 8 Cb 0.48 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.63 1x5e h ASN 8 CO 0.00 0.00 0.05 -0.69 -1.29 0.00 0.00 177.43 175.50 1x5e s VAL 9 N -4.80 4.81 0.06 2.81 1.01 -1.26 -4.54 120.40 118.48 1x5e s VAL 9 Ca -0.05 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.33 1x5e s VAL 9 Cb 0.20 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1x5e s VAL 9 CO 0.70 0.41 0.18 -0.13 0.00 0.00 0.00 175.10 176.27 1x5e s ARG 10 N -0.26 3.34 -0.57 2.72 1.81 0.96 -4.91 118.95 122.05 1x5e s ARG 10 Ca 0.34 -0.47 -0.11 0.00 -1.72 0.00 0.00 55.73 53.77 1x5e s ARG 10 Cb -0.19 -2.99 0.14 0.00 -0.45 0.00 0.00 34.95 31.46 1x5e s ARG 10 CO 0.20 0.61 0.47 0.08 -0.68 0.00 0.00 175.30 175.98 1x5e s VAL 11 N -1.47 4.66 0.05 3.52 1.01 -1.26 -0.13 120.40 126.78 1x5e s VAL 11 Ca 0.33 -1.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.06 1x5e s VAL 11 Cb -0.13 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1x5e s VAL 11 CO 0.26 -0.86 0.98 -0.63 0.00 0.00 0.00 175.10 174.85 1x5e s ILE 12 N 1.07 4.69 0.24 2.22 -1.09 -1.25 -5.00 121.20 122.08 1x5e s ILE 12 Ca 0.08 2.05 0.03 0.00 -2.23 0.00 0.00 60.65 60.58 1x5e s ILE 12 Cb -0.24 -4.31 0.03 0.00 -1.58 0.00 0.00 42.46 36.36 1x5e s ILE 12 CO -0.02 0.23 0.24 0.35 -1.23 0.00 0.00 174.94 174.51 1x5e n THR 13 N 3.43 0.00 0.80 2.92 -2.24 -1.26 -4.83 114.28 113.10 1x5e n THR 13 Ca 0.04 -0.88 0.07 0.00 -2.27 0.00 0.00 64.05 61.02 1x5e n THR 13 Cb 0.50 -0.50 0.39 0.00 -2.10 0.00 0.00 70.33 68.63 1x5e n THR 13 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1x5e n ASP 14 N -2.24 0.00 -0.02 3.42 5.68 -1.26 -2.74 116.55 119.39 1x5e n ASP 14 Ca 0.02 -0.29 -0.03 0.00 -0.50 0.00 0.00 54.79 53.99 1x5e n ASP 14 Cb 0.26 -0.08 -0.02 0.00 -1.14 0.00 0.00 41.12 40.14 1x5e n ASP 14 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1x5e n GLU 15 N -1.08 0.11 0.24 0.11 1.02 -1.26 -4.64 120.64 115.13 1x5e n GLU 15 Ca 0.09 0.03 0.10 0.00 -0.02 0.00 0.00 57.16 57.36 1x5e n GLU 15 Cb 0.06 -1.09 0.69 0.00 -0.02 0.00 0.00 31.44 31.09 1x5e n GLU 15 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1x5e h ASN 16 N -0.00 0.00 -0.87 1.62 2.35 -1.89 -2.82 115.58 113.97 1x5e h ASN 16 Ca -0.10 0.00 0.26 0.00 -0.55 0.00 0.00 56.30 55.91 1x5e h ASN 16 Cb 1.15 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.36 1x5e h ASN 16 CO -0.02 0.00 0.09 -2.67 -1.65 0.00 0.00 177.43 173.18 1x5e n TRP 17 N -4.41 0.63 -0.24 1.19 4.27 -1.11 0.78 117.44 118.55 1x5e n TRP 17 Ca -0.02 1.05 -0.00 0.00 -3.89 0.00 0.00 57.50 54.64 1x5e n TRP 17 Cb 0.15 -1.20 0.07 0.00 -1.36 0.00 0.00 31.31 28.97 1x5e n TRP 17 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x5e h ARG 18 N 0.00 -0.02 -1.05 -2.67 2.47 -1.84 0.70 114.38 111.96 1x5e h ARG 18 Ca 0.56 0.00 0.31 0.00 -1.26 0.00 0.00 59.98 59.59 1x5e h ARG 18 Cb 1.23 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.51 1x5e h ARG 18 CO -0.80 -0.02 0.80 0.93 0.56 0.00 0.00 179.97 181.45 1x5e h GLU 19 N -0.02 0.00 -0.46 0.04 4.39 0.13 0.52 114.58 119.18 1x5e h GLU 19 Ca 0.32 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.02 1x5e h GLU 19 Cb 0.52 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 1x5e h GLU 19 CO -0.72 0.00 0.26 -0.07 -1.16 0.00 0.00 179.01 177.32 1x5e h LEU 20 N 0.00 0.55 -1.64 1.33 3.38 0.38 -1.82 115.31 117.49 1x5e h LEU 20 Ca 0.50 -0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.57 1x5e h LEU 20 Cb 2.10 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 42.67 1x5e h LEU 20 CO -0.01 0.44 0.46 -0.07 0.09 0.00 0.00 178.44 179.35 1x5e h LEU 21 N 0.63 0.34 -9.39 1.67 3.38 0.00 -3.36 115.31 108.59 1x5e h LEU 21 Ca 0.17 0.02 -0.67 0.00 0.09 0.00 0.00 57.88 57.48 1x5e h LEU 21 Cb -0.00 -0.05 -0.13 0.00 0.09 0.00 0.00 40.66 40.56 1x5e h LEU 21 CO -0.03 0.19 -0.62 -1.83 0.09 0.00 0.00 178.44 176.24 1x5e s GLU 22 N -5.36 2.91 0.40 1.13 4.04 -0.68 -0.02 118.70 121.11 1x5e s GLU 22 Ca -0.08 -0.52 0.00 0.00 0.04 0.00 0.00 54.97 54.41 1x5e s GLU 22 Cb 0.20 -2.75 0.00 0.00 0.02 0.00 0.00 34.13 31.60 1x5e s GLU 22 CO 0.76 0.65 0.00 0.41 -1.84 0.00 0.00 175.26 175.24 1x5e n GLY 23 N 1.58 -2.51 3.76 -3.83 0.00 -1.26 -4.79 105.19 98.13 1x5e n GLY 23 Ca -0.15 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.31 1x5e n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x5e s ASP 24 N -6.85 7.46 -0.13 1.61 1.01 -1.26 -3.70 116.67 114.81 1x5e s ASP 24 Ca 0.00 1.96 -0.05 0.00 0.71 0.00 0.00 52.55 55.17 1x5e s ASP 24 Cb 0.00 -2.60 0.06 0.00 1.01 0.00 0.00 42.92 41.39 1x5e s ASP 24 CO 0.00 0.02 0.28 0.26 0.21 0.00 0.00 175.17 175.94 1x5e s TRP 25 N -1.33 -0.45 -0.38 4.23 0.52 -0.74 -3.31 118.94 117.48 1x5e s TRP 25 Ca 0.45 1.00 -0.13 0.00 0.02 0.00 0.00 56.10 57.44 1x5e s TRP 25 Cb -0.24 0.04 0.02 0.00 -1.15 0.00 0.00 33.47 32.13 1x5e s TRP 25 CO 0.30 -0.33 0.25 -1.64 0.02 0.00 0.00 176.95 175.55 1x5e s MET 26 N 2.05 3.02 -0.02 4.98 -1.94 0.11 -2.16 119.30 125.34 1x5e s MET 26 Ca -0.03 -0.97 0.01 0.00 -1.71 0.00 0.00 55.69 52.99 1x5e s MET 26 Cb -0.11 -3.84 -0.03 0.00 2.01 0.00 0.00 34.83 32.86 1x5e s MET 26 CO -0.09 -0.67 -0.01 0.42 -0.01 0.00 0.00 175.02 174.66 1x5e s ILE 27 N 1.64 4.10 -0.18 2.53 1.01 -0.81 -0.19 121.20 129.29 1x5e s ILE 27 Ca 0.04 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 1x5e s ILE 27 Cb -0.19 -2.79 0.06 0.00 0.01 0.00 0.00 42.46 39.55 1x5e s ILE 27 CO 0.09 0.45 0.07 -1.83 0.00 0.00 0.00 174.94 173.71 1x5e s GLU 28 N -1.33 0.32 -0.12 2.79 4.04 -1.15 -0.04 118.70 123.20 1x5e s GLU 28 Ca 0.17 -0.24 -0.29 0.00 0.04 0.00 0.00 54.97 54.65 1x5e s GLU 28 Cb -0.11 -1.95 -0.01 0.00 0.02 0.00 0.00 34.13 32.07 1x5e s GLU 28 CO 0.07 -0.66 1.12 -0.06 -1.84 0.00 0.00 175.26 173.89 1x5e s PHE 29 N 2.01 3.26 0.26 4.83 0.40 -0.59 -3.09 117.98 125.07 1x5e s PHE 29 Ca 0.01 1.34 0.04 0.00 -0.60 0.00 0.00 56.93 57.72 1x5e s PHE 29 Cb -0.16 -3.34 -0.06 0.00 0.51 0.00 0.00 43.02 39.97 1x5e s PHE 29 CO -0.09 -0.89 0.01 1.52 0.70 0.00 0.00 175.22 176.47 1x5e s TYR 30 N 2.56 1.71 -0.04 0.36 -0.85 -1.16 -2.90 117.35 117.03 1x5e s TYR 30 Ca 0.51 -0.91 -0.03 0.00 -0.52 0.00 0.00 57.07 56.12 1x5e s TYR 30 Cb -0.20 -1.02 0.02 0.00 0.38 0.00 0.00 41.96 41.13 1x5e s TYR 30 CO 0.16 0.00 0.09 0.00 -1.52 0.00 0.00 175.55 174.29 1x5e s ALA 31 N -3.35 -0.19 0.15 9.51 0.00 -1.26 -3.42 121.76 123.20 1x5e s ALA 31 Ca 0.31 0.37 0.32 0.00 0.00 0.00 0.00 51.96 52.96 1x5e s ALA 31 Cb 0.06 -0.24 1.32 0.00 0.00 0.00 0.00 23.12 24.26 1x5e s ALA 31 CO 0.11 -0.08 1.97 -1.00 0.00 0.00 0.00 175.76 176.76 1x5e h PRO 32 N 6.52 0.00 -0.72 0.00 0.13 -1.99 -2.70 132.00 133.24 1x5e h PRO 32 Ca -0.32 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.58 1x5e h PRO 32 Cb 1.18 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.17 1x5e h PRO 32 CO 0.45 0.06 0.27 -2.67 -0.23 0.00 0.00 178.00 175.87 1x5e n TRP 33 N -3.19 2.39 -4.29 1.56 4.27 -1.26 -4.90 117.44 112.03 1x5e n TRP 33 Ca 0.00 -1.24 -0.21 0.00 -3.89 0.00 0.00 57.50 52.16 1x5e n TRP 33 Cb 0.32 -0.68 -0.16 0.00 -1.36 0.00 0.00 31.31 29.42 1x5e n TRP 33 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x5e h PRO 35 N 7.00 -0.08 -0.80 0.00 0.13 -1.90 -3.06 132.00 133.30 1x5e h PRO 35 Ca -0.36 0.01 0.18 0.00 -0.87 0.00 0.00 66.00 64.95 1x5e h PRO 35 Cb 1.16 0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 1x5e h PRO 35 CO 0.48 0.38 0.28 0.00 -0.23 0.00 0.00 178.00 178.91 1x5e h ALA 36 N 0.32 1.14 -0.34 -0.56 0.00 -1.94 0.28 119.26 118.15 1x5e h ALA 36 Ca -0.01 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1x5e h ALA 36 Cb 0.49 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1x5e h ALA 36 CO 0.01 -0.30 0.10 0.00 0.00 0.00 0.00 179.25 179.06 1x5e h GLN 38 N 0.49 0.00 -0.01 0.00 4.20 -0.35 -1.84 115.11 117.61 1x5e h GLN 38 Ca 0.12 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.68 1x5e h GLN 38 Cb 0.16 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1x5e h GLN 38 CO -0.01 0.15 -0.71 -0.91 -0.67 0.00 0.00 178.83 176.69 1x5e h ASN 39 N 0.00 0.05 1.19 1.46 2.35 -0.93 -3.13 115.58 116.57 1x5e h ASN 39 Ca -0.00 -0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.56 1x5e h ASN 39 Cb 0.36 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 1x5e h ASN 39 CO 0.02 0.74 -0.83 0.25 -1.65 0.00 0.00 177.43 175.96 1x5e h LEU 40 N 0.03 0.00 -0.95 1.61 5.85 -1.32 -3.33 115.31 117.19 1x5e h LEU 40 Ca -0.01 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.82 1x5e h LEU 40 Cb 1.25 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.15 1x5e h LEU 40 CO 0.10 0.67 -0.48 0.00 -0.34 0.00 0.00 178.44 178.38 1x5e n GLN 41 N -3.20 -0.34 -0.07 1.25 1.13 -0.76 0.10 117.38 115.49 1x5e n GLN 41 Ca -0.01 1.45 -0.13 0.00 -1.94 0.00 0.00 57.00 56.37 1x5e n GLN 41 Cb 0.82 -2.14 -0.06 0.00 0.11 0.00 0.00 30.24 28.97 1x5e n GLN 41 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1x5e h PRO 42 N 0.00 0.48 -0.88 -1.09 0.13 -1.74 -3.04 132.00 125.85 1x5e h PRO 42 Ca 0.23 -0.25 0.17 0.00 -0.87 0.00 0.00 66.00 65.27 1x5e h PRO 42 Cb 0.47 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.54 1x5e h PRO 42 CO -0.92 0.82 0.57 0.93 -0.23 0.00 0.00 178.00 179.18 1x5e h GLU 43 N 0.15 0.54 0.14 0.86 4.39 -1.23 -1.45 114.58 117.99 1x5e h GLU 43 Ca 0.03 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1x5e h GLU 43 Cb 0.73 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1x5e h GLU 43 CO 0.05 0.36 -0.07 2.35 -1.16 0.00 0.00 179.01 180.54 1x5e h TRP 44 N 0.56 -0.18 -0.16 4.33 -0.00 -0.29 -2.24 115.95 117.97 1x5e h TRP 44 Ca 0.45 -0.00 0.05 0.00 -0.00 0.00 0.00 58.89 59.39 1x5e h TRP 44 Cb 0.90 0.06 -0.06 0.00 -0.00 0.00 0.00 29.16 30.06 1x5e h TRP 44 CO -0.00 0.18 -0.23 0.93 -0.00 0.00 0.00 178.44 179.32 1x5e h GLU 45 N -0.58 -0.26 -0.00 2.65 5.08 -1.24 0.23 114.58 120.45 1x5e h GLU 45 Ca -0.02 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1x5e h GLU 45 Cb 0.44 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1x5e h GLU 45 CO 0.03 -0.17 0.00 0.77 -1.00 0.00 0.00 179.01 178.64 1x5e h SER 46 N -0.27 0.00 0.06 1.42 0.02 -1.34 -2.80 113.55 110.64 1x5e h SER 46 Ca 0.11 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1x5e h SER 46 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1x5e h SER 46 CO -0.32 0.00 -0.03 0.15 -1.14 0.00 0.00 176.83 175.49 1x5e h PHE 47 N 0.00 -0.08 -0.06 3.45 3.57 -0.22 -3.28 116.94 120.32 1x5e h PHE 47 Ca 0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1x5e h PHE 47 Cb 0.00 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 1x5e h PHE 47 CO 0.00 -0.05 0.70 0.00 -2.23 0.00 0.00 178.31 176.73 1x5e h ALA 48 N -1.09 1.76 0.49 2.41 0.00 -0.54 -0.49 119.26 121.79 1x5e h ALA 48 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1x5e h ALA 48 Cb 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1x5e h ALA 48 CO 0.01 -0.73 -0.45 0.93 0.00 0.00 0.00 179.25 179.01 1x5e h GLU 49 N 0.00 -0.91 0.00 0.00 5.08 -1.56 -3.09 114.58 114.10 1x5e h GLU 49 Ca 0.03 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1x5e h GLU 49 Cb 1.43 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.88 1x5e h GLU 49 CO -0.00 -0.61 -0.91 0.11 -1.00 0.00 0.00 179.01 176.61 1x5e h TRP 50 N -0.94 0.00 0.00 4.33 5.08 -1.36 -3.41 115.95 119.65 1x5e h TRP 50 Ca -0.05 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.92 1x5e h TRP 50 Cb 0.82 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.98 1x5e h TRP 50 CO -0.22 0.00 0.00 0.41 -1.28 0.00 0.00 178.44 177.35 1x5e n GLY 51 N 1.21 -2.85 0.47 11.11 0.00 -0.34 0.89 105.19 115.68 1x5e n GLY 51 Ca 0.01 0.55 0.30 0.00 0.00 0.00 0.00 46.02 46.88 1x5e n GLY 51 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1x5e h GLU 52 N 0.00 0.17 -0.94 1.61 -0.00 -1.53 0.41 114.58 114.29 1x5e h GLU 52 Ca 0.00 -0.01 0.06 0.00 -0.00 0.00 0.00 59.36 59.41 1x5e h GLU 52 Cb 0.00 -0.04 -0.06 0.00 -0.00 0.00 0.00 28.75 28.65 1x5e h GLU 52 CO 0.00 0.11 0.61 0.22 -0.00 0.00 0.00 179.01 179.96 1x5e h ASP 53 N 0.18 0.98 -0.20 3.06 1.82 0.26 0.49 116.42 123.01 1x5e h ASP 53 Ca 0.60 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.24 1x5e h ASP 53 Cb 1.96 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 41.77 1x5e h ASP 53 CO -0.16 0.64 0.00 0.18 -1.61 0.00 0.00 179.24 178.29 1x5e n LEU 54 N -4.48 2.51 -3.01 2.28 4.77 0.14 -4.87 117.00 114.34 1x5e n LEU 54 Ca 0.14 -1.27 -0.13 0.00 -0.03 0.00 0.00 56.01 54.72 1x5e n LEU 54 Cb 0.17 -0.53 0.07 0.00 -2.33 0.00 0.00 43.42 40.80 1x5e n LEU 54 CO 0.33 0.38 0.06 -0.62 -1.33 0.00 0.00 177.39 176.21 1x5e n GLU 55 N 0.22 -3.74 -3.72 3.23 -0.58 0.16 -4.97 120.64 111.24 1x5e n GLU 55 Ca 0.09 0.72 -0.12 0.00 -0.42 0.00 0.00 57.16 57.44 1x5e n GLU 55 Cb 0.54 -5.24 -0.12 0.00 -0.57 0.00 0.00 31.44 26.05 1x5e n GLU 55 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1x5e s VAL 56 N -3.32 -0.03 0.12 2.62 0.11 -1.18 -4.86 120.40 113.87 1x5e s VAL 56 Ca 0.19 0.11 -0.20 0.00 -2.93 0.00 0.00 61.98 59.15 1x5e s VAL 56 Cb -0.03 -0.46 -0.07 0.00 -1.53 0.00 0.00 36.38 34.30 1x5e s VAL 56 CO 0.62 0.04 0.62 0.20 -3.33 0.00 0.00 175.10 173.25 1x5e s ASN 57 N 1.12 7.08 -0.04 3.54 0.01 -1.21 -2.14 114.94 123.30 1x5e s ASN 57 Ca -0.08 1.32 0.06 0.00 -0.71 0.00 0.00 52.86 53.45 1x5e s ASN 57 Cb -0.08 -2.38 -0.01 0.00 0.41 0.00 0.00 41.25 39.18 1x5e s ASN 57 CO -0.08 0.20 -0.24 -0.63 -1.51 0.00 0.00 177.10 174.84 1x5e s ILE 58 N -1.23 1.91 0.02 0.60 1.09 -1.26 0.09 121.20 122.41 1x5e s ILE 58 Ca 0.33 -1.00 -0.09 0.00 -1.10 0.00 0.00 60.65 58.80 1x5e s ILE 58 Cb -0.19 -1.60 0.00 0.00 -1.06 0.00 0.00 42.46 39.61 1x5e s ILE 58 CO 0.20 0.53 0.18 0.00 -0.10 0.00 0.00 174.94 175.76 1x5e s ALA 59 N -0.27 -0.36 0.04 9.38 0.00 0.73 -0.03 121.76 131.26 1x5e s ALA 59 Ca 0.01 -0.22 0.08 0.00 0.00 0.00 0.00 51.96 51.84 1x5e s ALA 59 Cb -0.12 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1x5e s ALA 59 CO 0.02 -0.30 -0.23 -1.59 0.00 0.00 0.00 175.76 173.65 1x5e s LYS 60 N -2.12 1.89 0.00 0.00 -2.85 0.81 -2.95 119.74 114.53 1x5e s LYS 60 Ca -0.09 -1.07 0.07 0.00 -1.00 0.00 0.00 55.97 53.89 1x5e s LYS 60 Cb -0.03 -2.05 -0.02 0.00 -2.06 0.00 0.00 37.83 33.66 1x5e s LYS 60 CO -0.02 0.52 -0.23 0.08 0.10 0.00 0.00 175.35 175.81 1x5e s VAL 61 N -0.85 1.82 -0.21 1.79 1.01 -1.18 -3.75 120.40 119.03 1x5e s VAL 61 Ca 0.13 -1.08 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 1x5e s VAL 61 Cb -0.10 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1x5e s VAL 61 CO 0.03 0.42 0.05 -0.62 0.00 0.00 0.00 175.10 174.99 1x5e s ASP 62 N -0.77 5.32 -0.07 3.32 -1.08 -1.26 -2.98 116.67 119.15 1x5e s ASP 62 Ca 0.09 -0.07 0.02 0.00 -0.52 0.00 0.00 52.55 52.07 1x5e s ASP 62 Cb -0.09 -1.92 0.16 0.00 -1.46 0.00 0.00 42.92 39.60 1x5e s ASP 62 CO 0.00 0.08 0.94 1.33 0.52 0.00 0.00 175.17 178.05 1x5e n VAL 63 N 4.13 0.95 0.00 1.11 0.24 -1.22 -2.02 118.33 121.52 1x5e n VAL 63 Ca -0.16 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 1x5e n VAL 63 Cb 0.52 -0.64 0.00 0.00 -1.47 0.00 0.00 33.84 32.25 1x5e n VAL 63 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1x5e n THR 64 N 0.14 0.00 -0.05 3.34 -2.24 -1.26 -4.82 114.28 109.39 1x5e n THR 64 Ca 0.09 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1x5e n THR 64 Cb 0.57 -0.53 -0.14 0.00 -2.10 0.00 0.00 70.33 68.14 1x5e n THR 64 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x5e n GLU 65 N -1.33 0.92 -3.57 -0.78 -0.58 -1.22 -4.79 120.64 109.29 1x5e n GLU 65 Ca 0.00 -0.08 -0.40 0.00 -0.42 0.00 0.00 57.16 56.26 1x5e n GLU 65 Cb 0.27 -1.44 -0.07 0.00 -0.57 0.00 0.00 31.44 29.63 1x5e n GLU 65 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1x5e s GLN 66 N -2.80 2.88 0.09 3.49 -1.52 -0.86 -4.92 119.66 116.02 1x5e s GLN 66 Ca -0.08 -2.41 -0.15 0.00 -1.95 0.00 0.00 55.36 50.77 1x5e s GLN 66 Cb 0.08 -3.98 -0.09 0.00 -0.22 0.00 0.00 33.01 28.80 1x5e s GLN 66 CO 0.73 -1.21 1.41 -1.00 -0.25 0.00 0.00 175.29 174.97 1x5e h PRO 67 N 7.45 0.66 0.34 2.91 0.13 -1.86 -3.12 132.00 138.52 1x5e h PRO 67 Ca -0.00 -0.35 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 1x5e h PRO 67 Cb 1.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1x5e h PRO 67 CO 0.74 0.96 -0.17 0.78 -0.23 0.00 0.00 178.00 180.09 1x5e h GLY 68 N 0.39 -0.48 -0.95 1.56 0.00 -1.97 -2.69 103.07 98.92 1x5e h GLY 68 Ca 0.04 0.18 0.33 0.00 0.00 0.00 0.00 47.33 47.88 1x5e h GLY 68 CO 0.07 -0.18 0.23 1.41 0.00 0.00 0.00 176.54 178.08 1x5e h LEU 69 N -0.49 -0.15 -1.06 3.11 3.38 -1.92 1.34 115.31 119.52 1x5e h LEU 69 Ca -0.05 0.27 0.05 0.00 0.09 0.00 0.00 57.88 58.24 1x5e h LEU 69 Cb 0.35 0.39 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 1x5e h LEU 69 CO 0.08 -0.37 0.63 0.28 0.09 0.00 0.00 178.44 179.14 1x5e h SER 70 N 0.02 1.02 0.27 -0.43 0.02 -1.47 0.18 113.55 113.16 1x5e h SER 70 Ca 0.69 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.63 1x5e h SER 70 Cb 1.61 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.93 1x5e h SER 70 CO -0.85 0.67 -0.13 1.23 -1.14 0.00 0.00 176.83 176.61 1x5e h GLY 71 N 1.16 -0.37 0.85 -3.77 0.00 0.21 -3.32 103.07 97.83 1x5e h GLY 71 Ca 0.40 0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.86 1x5e h GLY 71 CO -0.14 -0.14 -0.20 0.07 0.00 0.00 0.00 176.54 176.13 1x5e h ARG 72 N -0.88 -0.47 -4.06 4.80 0.11 -1.17 -3.24 114.38 109.48 1x5e h ARG 72 Ca -0.04 0.03 -0.73 0.00 0.10 0.00 0.00 59.98 59.34 1x5e h ARG 72 Cb 0.51 0.11 -0.12 0.00 1.11 0.00 0.00 29.97 31.58 1x5e h ARG 72 CO 0.06 -0.31 2.24 1.19 0.10 0.00 0.00 179.97 183.25 1x5e n PHE 73 N -5.33 3.58 -0.77 4.08 3.72 0.63 -4.95 117.46 118.42 1x5e n PHE 73 Ca -0.09 -2.93 -0.30 0.00 -0.05 0.00 0.00 57.45 54.07 1x5e n PHE 73 Cb 0.24 -2.21 -0.04 0.00 -0.94 0.00 0.00 39.48 36.52 1x5e n PHE 73 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1x5e n ILE 74 N 4.29 0.00 -3.75 4.37 -0.00 -1.23 -4.72 119.36 118.33 1x5e n ILE 74 Ca 0.43 0.00 -0.29 0.00 -0.00 0.00 0.00 62.75 62.90 1x5e n ILE 74 Cb 0.39 -0.14 -0.10 0.00 -0.00 0.00 0.00 39.64 39.78 1x5e n ILE 74 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1x5e n ILE 75 N 1.41 1.99 0.19 7.28 2.08 -1.26 -4.93 119.36 126.12 1x5e n ILE 75 Ca 0.12 -5.00 -0.15 0.00 0.56 0.00 0.00 62.75 58.29 1x5e n ILE 75 Cb -0.00 -2.18 -0.08 0.00 -0.75 0.00 0.00 39.64 36.63 1x5e n ILE 75 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1x5e h ASN 76 N 5.11 -0.38 -4.10 4.38 7.08 -1.96 -3.46 115.58 122.26 1x5e h ASN 76 Ca 0.16 0.02 -0.43 0.00 -3.08 0.00 0.00 56.30 52.98 1x5e h ASN 76 Cb 0.73 0.10 -0.14 0.00 -2.08 0.00 0.00 38.32 36.93 1x5e h ASN 76 CO 0.77 -0.26 -0.58 0.00 -2.08 0.00 0.00 177.43 175.27 1x5e s ALA 77 N -6.12 2.11 0.02 4.14 0.00 -1.26 -5.17 121.76 115.47 1x5e s ALA 77 Ca -0.15 -1.78 -0.05 0.00 0.00 0.00 0.00 51.96 49.98 1x5e s ALA 77 Cb 0.05 0.95 -0.01 0.00 0.00 0.00 0.00 23.12 24.12 1x5e s ALA 77 CO 0.64 -0.42 0.09 -0.51 0.00 0.00 0.00 175.76 175.56 1x5e s LEU 78 N -3.41 1.78 0.99 0.00 1.43 -1.26 -4.25 118.68 113.95 1x5e s LEU 78 Ca 0.35 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.96 1x5e s LEU 78 Cb 0.06 0.53 0.18 0.00 0.03 0.00 0.00 46.19 47.00 1x5e s LEU 78 CO 0.15 -0.39 1.09 -2.16 0.23 0.00 0.00 176.35 175.27 1x5e s PRO 79 N -1.75 0.49 -0.27 1.29 0.04 -1.26 -4.75 135.00 128.79 1x5e s PRO 79 Ca -0.12 0.55 -0.01 0.00 0.04 0.00 0.00 61.00 61.46 1x5e s PRO 79 Cb -0.06 -1.74 0.14 0.00 0.04 0.00 0.00 34.50 32.88 1x5e s PRO 79 CO -0.01 -2.70 0.38 0.99 0.04 0.00 0.00 177.00 175.70 1x5e s THR 80 N -2.96 -0.59 0.05 1.26 2.01 -1.14 -4.98 115.64 109.28 1x5e s THR 80 Ca 0.65 -0.20 -0.18 0.00 0.31 0.00 0.00 61.69 62.27 1x5e s THR 80 Cb -0.19 -0.90 -0.06 0.00 0.01 0.00 0.00 72.50 71.36 1x5e s THR 80 CO 0.58 -0.22 0.53 -0.63 -0.69 0.00 0.00 174.62 174.19 1x5e s ILE 81 N 2.52 4.81 -0.07 1.82 1.01 -1.26 -1.54 121.20 128.49 1x5e s ILE 81 Ca 0.11 1.14 0.05 0.00 0.00 0.00 0.00 60.65 61.95 1x5e s ILE 81 Cb -0.14 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 1x5e s ILE 81 CO -0.23 0.55 -0.24 -0.31 0.00 0.00 0.00 174.94 174.71 1x5e s TYR 82 N -1.06 2.45 -0.44 3.97 2.02 0.94 -0.85 117.35 124.37 1x5e s TYR 82 Ca 0.28 -0.83 -0.11 0.00 -0.37 0.00 0.00 57.07 56.04 1x5e s TYR 82 Cb -0.19 -1.62 0.09 0.00 -0.40 0.00 0.00 41.96 39.84 1x5e s TYR 82 CO 0.18 -0.29 0.32 -1.58 -1.57 0.00 0.00 175.55 172.61 1x5e s HIS 83 N 0.02 3.33 -0.38 2.71 5.65 -0.70 -1.93 115.29 123.99 1x5e s HIS 83 Ca -0.09 -1.45 -0.16 0.00 0.25 0.00 0.00 55.06 53.61 1x5e s HIS 83 Cb -0.15 -3.14 0.01 0.00 -1.18 0.00 0.00 32.58 28.12 1x5e s HIS 83 CO 0.05 -0.87 0.39 0.00 -0.65 0.00 0.00 174.74 173.67 1x5e s LYS 85 N 2.05 1.34 -1.46 0.00 2.20 0.75 -1.79 119.74 122.84 1x5e s LYS 85 Ca 0.12 -1.81 -0.06 0.00 -0.36 0.00 0.00 55.97 53.86 1x5e s LYS 85 Cb -0.17 -2.83 0.01 0.00 -1.51 0.00 0.00 37.83 33.33 1x5e s LYS 85 CO 0.12 -1.00 0.74 -0.25 -0.36 0.00 0.00 175.35 174.61 1x5e n ASP 86 N 4.15 -6.09 0.00 1.43 9.92 -1.23 -2.39 116.55 122.34 1x5e n ASP 86 Ca 0.03 -0.34 0.00 0.00 -0.53 0.00 0.00 54.79 53.95 1x5e n ASP 86 Cb 0.40 -4.85 0.00 0.00 -0.64 0.00 0.00 41.12 36.02 1x5e n ASP 86 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x5e n GLY 87 N -1.63 3.06 3.77 0.44 0.00 0.96 -4.85 105.19 106.94 1x5e n GLY 87 Ca -0.08 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 1x5e n GLY 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x5e s GLU 88 N 0.00 4.14 0.20 1.61 -1.05 -1.01 -4.92 118.70 117.68 1x5e s GLU 88 Ca 0.00 2.52 0.11 0.00 -0.15 0.00 0.00 54.97 57.45 1x5e s GLU 88 Cb 0.00 -3.00 -0.04 0.00 -0.44 0.00 0.00 34.13 30.65 1x5e s GLU 88 CO 0.00 -0.51 -0.20 -0.06 0.95 0.00 0.00 175.26 175.44 1x5e s PHE 89 N -0.84 2.39 -0.22 4.83 0.08 -1.25 -0.17 117.98 122.79 1x5e s PHE 89 Ca 0.55 -0.32 -0.07 0.00 0.12 0.00 0.00 56.93 57.21 1x5e s PHE 89 Cb -0.46 -1.17 0.10 0.00 -0.57 0.00 0.00 43.02 40.93 1x5e s PHE 89 CO 0.58 0.52 0.44 1.03 -0.10 0.00 0.00 175.22 177.69 1x5e s ARG 90 N -2.78 0.36 -0.03 0.44 0.52 -0.85 -0.45 118.95 116.15 1x5e s ARG 90 Ca 0.23 1.02 -0.30 0.00 -0.52 0.00 0.00 55.73 56.16 1x5e s ARG 90 Cb -0.08 0.31 -0.07 0.00 0.52 0.00 0.00 34.95 35.63 1x5e s ARG 90 CO 0.12 -0.30 1.75 0.50 0.02 0.00 0.00 175.30 177.39 1x5e s ARG 91 N 2.64 4.17 -0.07 3.54 3.52 -1.26 -1.73 118.95 129.76 1x5e s ARG 91 Ca 0.00 2.32 -0.32 0.00 -0.13 0.00 0.00 55.73 57.60 1x5e s ARG 91 Cb -0.12 -4.03 -0.10 0.00 -1.56 0.00 0.00 34.95 29.13 1x5e s ARG 91 CO -0.14 -0.88 1.99 0.98 -0.81 0.00 0.00 175.30 176.44 1x5e n TYR 92 N 7.24 2.31 -3.52 5.12 4.19 -0.03 -4.91 117.16 127.55 1x5e n TYR 92 Ca 0.18 -0.16 -0.32 0.00 3.31 0.00 0.00 57.90 60.91 1x5e n TYR 92 Cb 0.42 -2.73 -0.07 0.00 0.49 0.00 0.00 39.34 37.45 1x5e n TYR 92 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 1x5e n GLN 93 N 7.42 2.68 -2.23 2.98 6.02 -1.26 -4.73 117.38 128.26 1x5e n GLN 93 Ca 0.24 -4.57 -0.04 0.00 -0.01 0.00 0.00 57.00 52.61 1x5e n GLN 93 Cb 0.36 -2.34 0.01 0.00 1.02 0.00 0.00 30.24 29.28 1x5e n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1x5e n GLY 94 N 1.52 1.88 0.10 1.08 0.00 -1.26 -5.02 105.19 103.49 1x5e n GLY 94 Ca 0.25 -1.20 0.11 0.00 0.00 0.00 0.00 46.02 45.18 1x5e n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5e n PRO 95 N -0.22 0.15 -3.38 1.61 -0.04 -1.26 -4.90 135.00 126.96 1x5e n PRO 95 Ca -0.03 0.39 -0.17 0.00 -0.04 0.00 0.00 63.50 63.66 1x5e n PRO 95 Cb 0.24 -1.80 0.09 0.00 -0.04 0.00 0.00 33.50 31.99 1x5e n PRO 95 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x5e n ARG 96 N -2.09 -6.43 -4.26 0.54 1.74 -1.26 -5.02 116.66 99.89 1x5e n ARG 96 Ca 0.02 0.81 -0.25 0.00 -0.77 0.00 0.00 57.85 57.66 1x5e n ARG 96 Cb 0.21 -5.72 -0.08 0.00 -1.02 0.00 0.00 32.46 25.85 1x5e n ARG 96 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1x5e s THR 97 N -3.34 3.50 0.03 0.55 -4.23 -1.26 -4.96 115.64 105.93 1x5e s THR 97 Ca 0.04 -1.68 -0.09 0.00 -1.18 0.00 0.00 61.69 58.78 1x5e s THR 97 Cb -0.02 -2.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.99 1x5e s THR 97 CO 0.70 -0.23 1.14 0.50 -0.54 0.00 0.00 174.62 176.19 1x5e h LYS 98 N 2.38 -0.11 -0.46 3.99 3.64 -1.96 0.14 116.57 124.18 1x5e h LYS 98 Ca -0.46 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.01 1x5e h LYS 98 Cb 1.22 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.97 1x5e h LYS 98 CO 0.58 -0.08 -0.39 -0.22 -2.27 0.00 0.00 179.45 177.08 1x5e h LYS 99 N -0.12 -0.25 -0.33 1.90 3.11 -1.97 -1.96 116.57 116.95 1x5e h LYS 99 Ca 0.02 0.02 0.05 0.00 -2.81 0.00 0.00 60.65 57.92 1x5e h LYS 99 Cb 0.16 0.06 -0.08 0.00 -1.00 0.00 0.00 32.23 31.37 1x5e h LYS 99 CO -0.14 -0.17 -0.53 -0.44 -2.81 0.00 0.00 179.45 175.36 1x5e h ASP 100 N -0.26 -1.74 -0.60 4.20 5.19 -1.85 -2.41 116.42 118.95 1x5e h ASP 100 Ca 0.17 0.23 0.05 0.00 -0.62 0.00 0.00 57.03 56.86 1x5e h ASP 100 Cb 0.56 0.71 -0.07 0.00 0.18 0.00 0.00 39.33 40.71 1x5e h ASP 100 CO -0.60 -0.42 -0.35 0.49 -3.12 0.00 0.00 179.24 175.24 1x5e n PHE 101 N -5.40 -0.26 -0.23 4.55 3.72 0.43 0.27 117.46 120.54 1x5e n PHE 101 Ca -0.04 0.74 0.08 0.00 -0.05 0.00 0.00 57.45 58.19 1x5e n PHE 101 Cb 0.35 -0.53 0.17 0.00 -0.94 0.00 0.00 39.48 38.53 1x5e n PHE 101 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1x5e n ILE 102 N -4.38 -0.28 0.00 4.37 -0.00 -0.91 0.15 119.36 118.32 1x5e n ILE 102 Ca 0.01 1.47 -0.13 0.00 -0.00 0.00 0.00 62.75 64.10 1x5e n ILE 102 Cb 0.15 -2.11 -0.09 0.00 -0.00 0.00 0.00 39.64 37.60 1x5e n ILE 102 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.55 177.33 1x5e h ASN 103 N 0.00 0.02 0.00 4.38 2.35 -0.18 0.22 115.58 122.36 1x5e h ASN 103 Ca 0.38 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1x5e h ASN 103 Cb 0.73 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1x5e h ASN 103 CO -0.64 0.33 0.41 0.15 -1.65 0.00 0.00 177.43 176.03 1x5e h PHE 104 N -0.30 0.00 0.00 1.19 3.57 0.21 1.19 116.94 122.80 1x5e h PHE 104 Ca 0.00 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.31 1x5e h PHE 104 Cb 0.32 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1x5e h PHE 104 CO 0.03 0.00 -1.55 -0.89 -2.23 0.00 0.00 178.31 173.67 1x5e n ILE 105 N -2.37 1.31 -0.02 1.41 2.08 -0.72 -3.97 119.36 117.07 1x5e n ILE 105 Ca -0.01 -0.07 -0.11 0.00 0.56 0.00 0.00 62.75 63.11 1x5e n ILE 105 Cb 0.44 -1.97 -0.10 0.00 -0.75 0.00 0.00 39.64 37.26 1x5e n ILE 105 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1x5e h SER 106 N -0.78 -0.05 0.68 4.38 0.87 0.03 -3.26 113.55 115.41 1x5e h SER 106 Ca -0.30 -0.61 -0.02 0.00 -1.23 0.00 0.00 61.79 59.63 1x5e h SER 106 Cb 1.16 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1x5e h SER 106 CO -0.18 0.67 -0.09 0.44 -0.53 0.00 0.00 176.83 177.14 1x5e h ASP 107 N -0.87 0.00 -5.62 6.23 5.19 0.12 -3.47 116.42 118.00 1x5e h ASP 107 Ca -0.01 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.10 1x5e h ASP 107 Cb 0.66 0.00 0.17 0.00 0.18 0.00 0.00 39.33 40.34 1x5e h ASP 107 CO 0.01 0.09 -0.82 0.29 -3.12 0.00 0.00 179.24 175.68 1x5e n LYS 108 N -3.31 -4.27 0.25 3.56 5.02 -0.07 -4.89 118.16 114.45 1x5e n LYS 108 Ca -0.01 0.82 0.13 0.00 -2.02 0.00 0.00 58.31 57.24 1x5e n LYS 108 Cb 0.28 -5.72 0.61 0.00 -0.02 0.00 0.00 35.03 30.18 1x5e n LYS 108 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1x5e h GLU 109 N -1.53 0.00 -1.11 1.97 5.08 -1.69 -3.06 114.58 114.25 1x5e h GLU 109 Ca -0.60 0.00 0.31 0.00 -1.00 0.00 0.00 59.36 58.07 1x5e h GLU 109 Cb 1.33 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.48 1x5e h GLU 109 CO 0.48 0.13 0.72 0.11 -1.00 0.00 0.00 179.01 179.45 1x5e h TRP 110 N 0.00 0.60 -0.45 4.33 5.08 -1.90 -0.92 115.95 122.69 1x5e h TRP 110 Ca -0.00 0.02 0.08 0.00 1.08 0.00 0.00 58.89 60.07 1x5e h TRP 110 Cb 0.57 -0.17 -0.10 0.00 -3.00 0.00 0.00 29.16 26.47 1x5e h TRP 110 CO 0.00 -0.01 -0.41 0.87 -1.28 0.00 0.00 178.44 177.61 1x5e h LYS 111 N 0.30 -0.28 -0.18 0.12 6.56 -1.92 0.62 116.57 121.80 1x5e h LYS 111 Ca 0.65 0.02 0.05 0.00 -1.06 0.00 0.00 60.65 60.31 1x5e h LYS 111 Cb 1.80 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 33.51 1x5e h LYS 111 CO -0.32 -0.18 0.26 0.77 -2.06 0.00 0.00 179.45 177.91 1x5e h SER 112 N -0.29 0.00 -3.37 0.86 0.02 -1.41 -3.40 113.55 105.96 1x5e h SER 112 Ca 0.16 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.55 1x5e h SER 112 Cb 0.57 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.07 1x5e h SER 112 CO -0.60 0.00 0.07 -0.63 -1.14 0.00 0.00 176.83 174.53 1x5e s ILE 113 N -4.49 4.69 0.40 3.27 1.01 0.22 -5.05 121.20 121.25 1x5e s ILE 113 Ca -0.04 1.44 -0.25 0.00 0.00 0.00 0.00 60.65 61.80 1x5e s ILE 113 Cb 0.14 -4.02 -0.09 0.00 0.01 0.00 0.00 42.46 38.50 1x5e s ILE 113 CO 0.48 0.46 1.09 -1.61 0.00 0.00 0.00 174.94 175.37 1x5e s GLU 114 N -0.61 4.13 0.64 2.79 0.41 -1.26 -4.94 118.70 119.85 1x5e s GLU 114 Ca 0.33 1.64 -0.16 0.00 -0.41 0.00 0.00 54.97 56.38 1x5e s GLU 114 Cb -0.20 -2.61 -0.01 0.00 -1.78 0.00 0.00 34.13 29.53 1x5e s GLU 114 CO 0.21 -0.20 1.11 -1.25 -0.49 0.00 0.00 175.26 174.64 1x5e s PRO 115 N -2.39 2.91 0.37 0.39 0.04 -1.26 -4.44 135.00 130.63 1x5e s PRO 115 Ca 0.57 1.43 -0.25 0.00 0.04 0.00 0.00 61.00 62.80 1x5e s PRO 115 Cb -0.26 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 1x5e s PRO 115 CO 0.32 -1.17 1.02 0.08 0.04 0.00 0.00 177.00 177.29 1x5e s VAL 116 N -2.23 3.88 0.60 -0.36 1.01 0.40 -4.95 120.40 118.75 1x5e s VAL 116 Ca 0.68 1.49 -0.17 0.00 0.00 0.00 0.00 61.98 63.97 1x5e s VAL 116 Cb -0.21 -3.79 -0.15 0.00 0.00 0.00 0.00 36.38 32.23 1x5e s VAL 116 CO 0.39 0.06 -0.27 -1.20 0.00 0.00 0.00 175.10 174.08 1x5e n SER 117 N 0.18 -4.08 -3.41 3.32 7.64 -1.26 -4.63 113.62 111.37 1x5e n SER 117 Ca 0.04 0.54 -0.41 0.00 1.01 0.00 0.00 58.87 60.05 1x5e n SER 117 Cb 0.50 -0.81 -0.04 0.00 -1.01 0.00 0.00 64.21 62.84 1x5e n SER 117 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x5e n SER 118 N 2.65 -0.49 -4.73 6.43 7.64 -1.26 -4.82 113.62 119.04 1x5e n SER 118 Ca 0.06 0.88 -0.41 0.00 1.01 0.00 0.00 58.87 60.40 1x5e n SER 118 Cb 0.48 -0.72 -0.03 0.00 -1.01 0.00 0.00 64.21 62.93 1x5e n SER 118 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 1x5e s TRP 119 N -0.39 3.43 -0.10 1.43 -0.11 -1.26 -5.03 118.94 116.91 1x5e s TRP 119 Ca 0.59 1.38 -0.05 0.00 1.22 0.00 0.00 56.10 59.24 1x5e s TRP 119 Cb -0.84 -3.43 0.05 0.00 -1.50 0.00 0.00 33.47 27.75 1x5e s TRP 119 CO 0.43 -1.24 0.23 -0.59 -4.62 0.00 0.00 176.95 171.17 1x5e s PHE 120 N 0.30 -0.31 -0.30 5.86 -0.12 -1.26 -5.14 117.98 117.01 1x5e s PHE 120 Ca 0.55 0.75 -0.10 0.00 -0.05 0.00 0.00 56.93 58.08 1x5e s PHE 120 Cb -0.32 0.03 0.15 0.00 -0.63 0.00 0.00 43.02 42.26 1x5e s PHE 120 CO 0.34 -0.23 0.77 0.45 -0.05 0.00 0.00 175.22 176.50 1x5e s SER 121 N 1.29 -0.98 0.00 1.98 0.15 -1.26 -4.87 113.70 110.01 1x5e s SER 121 Ca -0.09 1.13 0.00 0.00 0.70 0.00 0.00 55.95 57.69 1x5e s SER 121 Cb -0.11 2.03 0.00 0.00 -1.71 0.00 0.00 66.02 66.23 1x5e s SER 121 CO -0.08 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1x5e n GLY 122 N 5.31 -1.83 0.24 9.45 0.00 -1.26 -4.49 105.19 112.61 1x5e n GLY 122 Ca -0.09 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 43.96 1x5e n GLY 122 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5e h PRO 123 N 0.00 0.68 -6.70 1.61 0.13 -2.06 -3.47 132.00 122.19 1x5e h PRO 123 Ca 0.00 -0.36 -0.54 0.00 -0.87 0.00 0.00 66.00 64.23 1x5e h PRO 123 Cb 0.00 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 30.98 1x5e h PRO 123 CO 0.00 0.97 -0.86 0.43 -0.23 0.00 0.00 178.00 178.31 1x5e n SER 124 N -4.03 -2.09 -4.27 1.44 7.64 -1.26 -4.89 113.62 106.15 1x5e n SER 124 Ca -0.02 -1.03 -0.44 0.00 1.01 0.00 0.00 58.87 58.39 1x5e n SER 124 Cb 0.53 -2.76 -0.05 0.00 -1.01 0.00 0.00 64.21 60.93 1x5e n SER 124 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x5e s SER 125 N -3.70 6.16 0.00 6.43 0.15 -1.26 -5.15 113.70 116.33 1x5e s SER 125 Ca 0.47 -2.22 0.00 0.00 0.70 0.00 0.00 55.95 54.90 1x5e s SER 125 Cb -0.26 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1x5e s SER 125 CO 0.92 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 175.30