#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 -2.13 -3.69 1.61 7.64 -1.26 -4.95 113.62 110.84 1x5e n SER 2 Ca 0.00 -0.86 -0.29 0.00 1.01 0.00 0.00 58.87 58.73 1x5e n SER 2 Cb 0.00 -3.71 -0.12 0.00 -1.01 0.00 0.00 64.21 59.37 1x5e n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5e s SER 3 N -4.00 3.46 -0.27 6.43 0.01 -1.26 -4.92 113.70 113.14 1x5e s SER 3 Ca 0.24 -3.01 -0.05 0.00 1.31 0.00 0.00 55.95 54.44 1x5e s SER 3 Cb -0.12 -1.05 0.01 0.00 0.21 0.00 0.00 66.02 65.06 1x5e s SER 3 CO 0.84 -0.20 0.32 0.61 0.41 0.00 0.00 173.24 175.22 1x5e n GLY 4 N 3.03 -0.92 3.96 3.44 0.00 -1.26 -5.05 105.19 108.38 1x5e n GLY 4 Ca 0.16 0.42 -0.22 0.00 0.00 0.00 0.00 46.02 46.38 1x5e n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5e s SER 5 N -2.06 5.84 -0.31 1.61 1.04 -1.26 -4.99 113.70 113.57 1x5e s SER 5 Ca 0.08 0.19 -0.03 0.00 0.48 0.00 0.00 55.95 56.67 1x5e s SER 5 Cb -0.02 -1.46 0.08 0.00 0.10 0.00 0.00 66.02 64.72 1x5e s SER 5 CO 0.38 -0.66 2.51 -1.54 0.98 0.00 0.00 173.24 174.91 1x5e n SER 6 N -2.01 6.25 0.00 7.02 3.41 -1.26 -4.94 113.62 122.10 1x5e n SER 6 Ca 0.01 -3.01 0.00 0.00 -0.26 0.00 0.00 58.87 55.61 1x5e n SER 6 Cb 0.58 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 1x5e n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5e n GLY 7 N 0.89 1.08 0.10 5.00 0.00 -1.26 -4.87 105.19 106.13 1x5e n GLY 7 Ca 0.37 -2.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.09 1x5e n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x5e n ASN 8 N 0.00 0.51 -4.67 1.61 4.13 -1.26 -4.91 115.26 110.67 1x5e n ASN 8 Ca 0.00 -0.02 -0.42 0.00 1.68 0.00 0.00 54.58 55.82 1x5e n ASN 8 Cb 0.00 0.80 -0.03 0.00 -1.54 0.00 0.00 39.78 39.01 1x5e n ASN 8 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1x5e s VAL 9 N -2.47 4.76 0.19 2.41 1.01 -1.26 -4.45 120.40 120.60 1x5e s VAL 9 Ca -0.12 1.92 -0.08 0.00 0.00 0.00 0.00 61.98 63.69 1x5e s VAL 9 Cb 0.06 -4.26 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 1x5e s VAL 9 CO 0.76 -0.08 0.48 -0.13 0.00 0.00 0.00 175.10 176.13 1x5e s ARG 10 N 2.61 3.73 -0.50 2.72 1.81 0.72 -4.89 118.95 125.15 1x5e s ARG 10 Ca 0.43 0.13 -0.11 0.00 -1.72 0.00 0.00 55.73 54.47 1x5e s ARG 10 Cb -0.16 -2.73 0.13 0.00 -0.45 0.00 0.00 34.95 31.73 1x5e s ARG 10 CO 0.11 0.38 0.39 0.08 -0.68 0.00 0.00 175.30 175.58 1x5e s VAL 11 N -1.75 4.44 0.05 3.52 1.01 -1.26 -0.15 120.40 126.26 1x5e s VAL 11 Ca 0.45 -1.78 -0.30 0.00 0.00 0.00 0.00 61.98 60.35 1x5e s VAL 11 Cb -0.12 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 1x5e s VAL 11 CO 0.22 -0.81 1.03 -0.63 0.00 0.00 0.00 175.10 174.91 1x5e s ILE 12 N 1.34 4.54 0.24 2.22 -1.09 -1.25 -4.97 121.20 122.23 1x5e s ILE 12 Ca 0.06 1.91 0.02 0.00 -2.23 0.00 0.00 60.65 60.41 1x5e s ILE 12 Cb -0.26 -4.22 0.02 0.00 -1.58 0.00 0.00 42.46 36.41 1x5e s ILE 12 CO -0.00 0.20 0.17 0.35 -1.23 0.00 0.00 174.94 174.43 1x5e n THR 13 N 3.51 0.00 0.65 2.92 -2.24 -1.26 -4.83 114.28 113.02 1x5e n THR 13 Ca 0.05 -0.96 0.06 0.00 -2.27 0.00 0.00 64.05 60.93 1x5e n THR 13 Cb 0.49 -0.27 0.32 0.00 -2.10 0.00 0.00 70.33 68.77 1x5e n THR 13 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1x5e n ASP 14 N -1.90 0.00 0.00 3.42 2.03 -1.26 -2.25 116.55 116.59 1x5e n ASP 14 Ca -0.01 -0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.18 1x5e n ASP 14 Cb 0.28 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 1x5e n ASP 14 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1x5e n GLU 15 N -1.15 2.89 0.06 -0.67 0.00 -1.26 -4.70 120.64 115.81 1x5e n GLU 15 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.16 1x5e n GLU 15 Cb 0.07 -0.98 0.09 0.00 0.00 0.00 0.00 31.44 30.61 1x5e n GLU 15 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 1x5e h ASN 16 N 0.00 0.38 -0.88 4.31 -0.73 -1.83 -3.24 115.58 113.59 1x5e h ASN 16 Ca 0.00 -0.23 0.28 0.00 1.87 0.00 0.00 56.30 58.23 1x5e h ASN 16 Cb 0.71 -0.11 -0.16 0.00 0.27 0.00 0.00 38.32 39.02 1x5e h ASN 16 CO 0.00 0.91 0.17 -2.67 -0.37 0.00 0.00 177.43 175.47 1x5e n TRP 17 N -3.88 0.72 -0.26 0.67 4.27 -0.95 0.11 117.44 118.11 1x5e n TRP 17 Ca -0.03 1.06 0.06 0.00 -3.89 0.00 0.00 57.50 54.70 1x5e n TRP 17 Cb 0.64 -1.26 0.17 0.00 -1.36 0.00 0.00 31.31 29.50 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 0.12 -1.11 -2.67 3.08 -1.87 0.59 114.38 112.51 1x5e h ARG 18 Ca 0.61 -0.01 0.32 0.00 0.07 0.00 0.00 59.98 60.97 1x5e h ARG 18 Cb 1.39 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.36 1x5e h ARG 18 CO -0.78 0.08 0.79 0.93 -1.07 0.00 0.00 179.97 179.92 1x5e h GLU 19 N 0.12 0.05 -0.49 0.04 4.39 0.52 0.51 114.58 119.72 1x5e h GLU 19 Ca 0.42 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.11 1x5e h GLU 19 Cb 0.76 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 1x5e h GLU 19 CO -0.65 0.03 0.27 -0.07 -1.16 0.00 0.00 179.01 177.43 1x5e h LEU 20 N 0.05 0.60 -1.94 1.33 3.38 0.12 -1.81 115.31 117.04 1x5e h LEU 20 Ca 0.54 -0.04 0.22 0.00 0.09 0.00 0.00 57.88 58.69 1x5e h LEU 20 Cb 2.06 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.63 1x5e h LEU 20 CO -0.05 0.49 0.61 -0.07 0.09 0.00 0.00 178.44 179.51 1x5e h LEU 21 N 0.68 0.00 -8.97 1.67 3.38 -0.03 -3.36 115.31 108.69 1x5e h LEU 21 Ca 0.18 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.46 1x5e h LEU 21 Cb 0.02 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.55 1x5e h LEU 21 CO -0.03 0.00 -0.76 -1.83 0.09 0.00 0.00 178.44 175.91 1x5e s GLU 22 N -4.83 2.45 0.35 1.13 4.04 -0.68 -0.43 118.70 120.73 1x5e s GLU 22 Ca -0.05 -0.74 0.00 0.00 0.04 0.00 0.00 54.97 54.22 1x5e s GLU 22 Cb 0.19 -2.37 0.00 0.00 0.02 0.00 0.00 34.13 31.97 1x5e s GLU 22 CO 0.68 0.61 0.00 0.41 -1.84 0.00 0.00 175.26 175.12 1x5e n GLY 23 N 2.07 -2.46 3.72 -3.83 0.00 -1.26 -4.79 105.19 98.64 1x5e n GLY 23 Ca -0.17 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 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 -6.60 7.44 -0.04 1.61 1.01 -1.26 -3.63 116.67 115.19 1x5e s ASP 24 Ca 0.00 1.73 -0.01 0.00 0.71 0.00 0.00 52.55 54.98 1x5e s ASP 24 Cb 0.00 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.38 1x5e s ASP 24 CO 0.00 -0.14 0.04 0.26 0.21 0.00 0.00 175.17 175.54 1x5e s TRP 25 N 0.40 0.21 -0.38 4.23 0.52 -0.27 -2.74 118.94 120.90 1x5e s TRP 25 Ca 0.49 0.12 -0.14 0.00 0.02 0.00 0.00 56.10 56.59 1x5e s TRP 25 Cb -0.22 -0.50 0.01 0.00 -1.15 0.00 0.00 33.47 31.61 1x5e s TRP 25 CO 0.29 -0.19 0.27 -1.64 0.02 0.00 0.00 176.95 175.70 1x5e s MET 26 N 1.81 3.16 0.14 4.98 -1.94 0.38 -1.29 119.30 126.53 1x5e s MET 26 Ca 0.01 -0.88 0.04 0.00 -1.71 0.00 0.00 55.69 53.15 1x5e s MET 26 Cb -0.12 -3.90 -0.04 0.00 2.01 0.00 0.00 34.83 32.78 1x5e s MET 26 CO -0.03 -0.63 0.12 0.42 -0.01 0.00 0.00 175.02 174.89 1x5e s ILE 27 N 1.69 4.54 -0.24 2.53 1.01 -0.72 -0.62 121.20 129.39 1x5e s ILE 27 Ca 0.05 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 1x5e s ILE 27 Cb -0.18 -3.27 0.11 0.00 0.01 0.00 0.00 42.46 39.12 1x5e s ILE 27 CO 0.10 -0.03 0.26 -1.83 0.00 0.00 0.00 174.94 173.44 1x5e s GLU 28 N -2.87 0.25 -0.34 2.79 -1.05 -1.21 -1.40 118.70 114.87 1x5e s GLU 28 Ca 0.31 0.08 -0.29 0.00 -0.15 0.00 0.00 54.97 54.92 1x5e s GLU 28 Cb -0.11 -0.95 0.01 0.00 -0.44 0.00 0.00 34.13 32.64 1x5e s GLU 28 CO 0.23 -0.80 1.25 -0.06 0.95 0.00 0.00 175.26 176.83 1x5e s PHE 29 N 2.35 2.76 0.39 4.83 0.40 -0.55 -2.90 117.98 125.26 1x5e s PHE 29 Ca 0.08 0.89 0.07 0.00 -0.60 0.00 0.00 56.93 57.37 1x5e s PHE 29 Cb -0.15 -3.98 -0.08 0.00 0.51 0.00 0.00 43.02 39.32 1x5e s PHE 29 CO -0.21 -1.49 0.00 1.52 0.70 0.00 0.00 175.22 175.74 1x5e s TYR 30 N 4.36 2.41 -0.07 0.36 -0.85 -1.13 -2.82 117.35 119.61 1x5e s TYR 30 Ca 0.53 -0.69 -0.07 0.00 -0.52 0.00 0.00 57.07 56.33 1x5e s TYR 30 Cb -0.14 -1.64 0.02 0.00 0.38 0.00 0.00 41.96 40.58 1x5e s TYR 30 CO 0.24 0.40 0.20 0.00 -1.52 0.00 0.00 175.55 174.86 1x5e s ALA 31 N -2.79 -0.48 -2.00 9.51 0.00 -1.26 -3.42 121.76 121.32 1x5e s ALA 31 Ca 0.35 0.58 0.10 0.00 0.00 0.00 0.00 51.96 52.98 1x5e s ALA 31 Cb 0.09 -0.34 0.60 0.00 0.00 0.00 0.00 23.12 23.46 1x5e s ALA 31 CO 0.17 -0.10 1.04 -0.35 0.00 0.00 0.00 175.76 176.52 1x5e n PRO 32 N 3.08 0.49 0.00 0.00 -0.04 -1.26 -2.07 135.00 135.21 1x5e n PRO 32 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1x5e n PRO 32 Cb 0.58 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 1x5e n PRO 32 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1x5e n TRP 33 N -0.82 0.00 -2.60 0.54 4.27 -1.26 -5.02 117.44 112.55 1x5e n TRP 33 Ca 0.08 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.26 1x5e n TRP 33 Cb 0.03 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 29.96 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 7.04 0.65 0.08 0.00 0.13 -1.94 -3.17 132.00 134.79 1x5e h PRO 35 Ca -0.36 -0.34 -0.00 0.00 -0.87 0.00 0.00 66.00 64.42 1x5e h PRO 35 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1x5e h PRO 35 CO 0.82 0.95 -0.04 0.00 -0.23 0.00 0.00 178.00 179.50 1x5e h ALA 36 N 0.69 -0.10 -1.05 -0.56 0.00 -1.92 -2.88 119.26 113.44 1x5e h ALA 36 Ca 0.04 -0.11 0.29 0.00 0.00 0.00 0.00 54.91 55.14 1x5e h ALA 36 Cb 0.82 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.53 1x5e h ALA 36 CO 0.07 -0.46 0.64 0.00 0.00 0.00 0.00 179.25 179.49 1x5e h GLN 38 N 0.40 0.57 0.00 0.00 4.20 -1.48 0.41 115.11 119.21 1x5e h GLN 38 Ca 0.68 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 59.31 1x5e h GLN 38 Cb 1.58 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.22 1x5e h GLN 38 CO -0.46 0.37 -0.21 -0.91 -0.67 0.00 0.00 178.83 176.95 1x5e h ASN 39 N 0.58 0.00 0.35 1.46 2.35 0.12 -3.16 115.58 117.29 1x5e h ASN 39 Ca 0.36 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.78 1x5e h ASN 39 Cb 0.59 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.92 1x5e h ASN 39 CO -0.13 0.21 -1.81 0.25 -1.65 0.00 0.00 177.43 174.31 1x5e h LEU 40 N 0.00 0.18 -0.85 1.61 5.85 -0.50 -3.33 115.31 118.27 1x5e h LEU 40 Ca -0.00 -0.41 0.11 0.00 0.84 0.00 0.00 57.88 58.42 1x5e h LEU 40 Cb 0.82 -0.06 -0.12 0.00 0.37 0.00 0.00 40.66 41.66 1x5e h LEU 40 CO 0.03 1.36 -0.41 0.00 -0.34 0.00 0.00 178.44 179.08 1x5e n GLN 41 N -3.24 -0.28 -0.06 1.25 1.13 0.11 -0.02 117.38 116.28 1x5e n GLN 41 Ca -0.23 1.30 -0.13 0.00 -1.94 0.00 0.00 57.00 56.00 1x5e n GLN 41 Cb 1.05 -1.92 -0.07 0.00 0.11 0.00 0.00 30.24 29.41 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 0.39 -1.01 -1.09 0.13 -1.75 -3.17 132.00 125.50 1x5e h PRO 42 Ca 0.23 -0.20 0.18 0.00 -0.87 0.00 0.00 66.00 65.33 1x5e h PRO 42 Cb 0.44 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.47 1x5e h PRO 42 CO -0.83 0.76 0.62 0.93 -0.23 0.00 0.00 178.00 179.25 1x5e h GLU 43 N 0.02 0.77 0.06 0.86 4.39 -1.04 -1.29 114.58 118.36 1x5e h GLU 43 Ca 0.03 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1x5e h GLU 43 Cb 0.69 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1x5e h GLU 43 CO 0.04 0.51 -0.03 2.35 -1.16 0.00 0.00 179.01 180.72 1x5e h TRP 44 N 0.79 -0.08 -0.42 4.33 2.91 -0.42 -1.71 115.95 121.35 1x5e h TRP 44 Ca 0.57 -0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.67 1x5e h TRP 44 Cb 0.85 0.03 -0.08 0.00 -0.51 0.00 0.00 29.16 29.45 1x5e h TRP 44 CO -0.00 -0.00 -0.12 0.93 -1.03 0.00 0.00 178.44 178.22 1x5e h GLU 45 N -0.13 -0.02 0.00 2.65 5.08 -1.23 0.43 114.58 121.37 1x5e h GLU 45 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1x5e h GLU 45 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1x5e h GLU 45 CO 0.01 -0.01 0.00 0.77 -1.00 0.00 0.00 179.01 178.78 1x5e h SER 46 N -0.02 0.00 0.00 1.42 0.02 -1.29 -3.01 113.55 110.68 1x5e h SER 46 Ca 0.20 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1x5e h SER 46 Cb 0.33 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 1x5e h SER 46 CO -0.45 0.00 -0.26 0.15 -1.14 0.00 0.00 176.83 175.13 1x5e h PHE 47 N 0.00 0.00 -0.19 3.45 3.57 0.64 -3.34 116.94 121.07 1x5e h PHE 47 Ca 0.00 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1x5e h PHE 47 Cb 0.27 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1x5e h PHE 47 CO 0.00 0.16 0.63 0.00 -2.23 0.00 0.00 178.31 176.87 1x5e h ALA 48 N -0.90 1.84 0.42 2.41 0.00 -0.58 0.06 119.26 122.51 1x5e h ALA 48 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1x5e h ALA 48 Cb 0.33 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1x5e h ALA 48 CO -0.01 -0.73 -0.48 0.93 0.00 0.00 0.00 179.25 178.95 1x5e h GLU 49 N 0.00 -0.89 0.00 0.00 4.39 -1.64 -3.08 114.58 113.36 1x5e h GLU 49 Ca 0.09 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1x5e h GLU 49 Cb 1.35 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 30.21 1x5e h GLU 49 CO -0.00 -0.59 -0.99 0.11 -1.16 0.00 0.00 179.01 176.38 1x5e h TRP 50 N -0.92 0.00 0.00 4.33 5.08 -1.47 -3.41 115.95 119.55 1x5e h TRP 50 Ca -0.04 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.93 1x5e h TRP 50 Cb 0.83 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.99 1x5e h TRP 50 CO -0.28 0.00 0.00 0.41 -1.28 0.00 0.00 178.44 177.29 1x5e n GLY 51 N 1.18 -2.82 0.42 11.11 0.00 -0.10 0.61 105.19 115.60 1x5e n GLY 51 Ca 0.00 0.56 0.27 0.00 0.00 0.00 0.00 46.02 46.85 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 0.29 -0.96 1.61 4.11 -1.45 0.46 114.58 118.64 1x5e h GLU 52 Ca 0.00 -0.02 0.12 0.00 0.07 0.00 0.00 59.36 59.54 1x5e h GLU 52 Cb 0.00 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.11 1x5e h GLU 52 CO 0.00 0.19 0.61 0.22 0.07 0.00 0.00 179.01 180.10 1x5e h ASP 53 N 0.30 0.83 -0.20 3.06 1.82 -0.06 0.26 116.42 122.43 1x5e h ASP 53 Ca 0.66 0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 57.33 1x5e h ASP 53 Cb 1.82 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 41.70 1x5e h ASP 53 CO -0.33 0.44 0.01 0.18 -1.61 0.00 0.00 179.24 177.93 1x5e n LEU 54 N -4.59 2.65 -3.07 2.28 4.77 0.16 -4.86 117.00 114.33 1x5e n LEU 54 Ca 0.18 -1.34 -0.14 0.00 -0.03 0.00 0.00 56.01 54.68 1x5e n LEU 54 Cb 0.38 -0.56 0.07 0.00 -2.33 0.00 0.00 43.42 40.98 1x5e n LEU 54 CO 0.28 0.39 0.06 -0.62 -1.33 0.00 0.00 177.39 176.17 1x5e n GLU 55 N 0.20 -3.87 -3.70 3.23 -0.58 0.91 -4.92 120.64 111.91 1x5e n GLU 55 Ca 0.10 0.75 -0.11 0.00 -0.42 0.00 0.00 57.16 57.48 1x5e n GLU 55 Cb 0.58 -5.36 -0.11 0.00 -0.57 0.00 0.00 31.44 25.98 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 -3.33 -0.03 0.27 2.62 0.11 -1.19 -4.85 120.40 114.00 1x5e s VAL 56 Ca 0.20 0.10 -0.17 0.00 -2.93 0.00 0.00 61.98 59.19 1x5e s VAL 56 Cb -0.03 -0.57 -0.09 0.00 -1.53 0.00 0.00 36.38 34.17 1x5e s VAL 56 CO 0.64 0.04 0.72 0.20 -3.33 0.00 0.00 175.10 173.37 1x5e s ASN 57 N 1.39 6.90 0.02 3.54 0.01 -1.11 -1.79 114.94 123.90 1x5e s ASN 57 Ca -0.09 1.32 0.06 0.00 -0.71 0.00 0.00 52.86 53.44 1x5e s ASN 57 Cb -0.09 -2.39 -0.02 0.00 0.41 0.00 0.00 41.25 39.17 1x5e s ASN 57 CO -0.12 -0.08 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.58 1x5e s ILE 58 N -1.75 1.42 0.23 0.60 1.09 -1.26 -0.47 121.20 121.06 1x5e s ILE 58 Ca 0.48 -0.95 -0.11 0.00 -1.10 0.00 0.00 60.65 58.97 1x5e s ILE 58 Cb -0.13 -1.22 -0.01 0.00 -1.06 0.00 0.00 42.46 40.04 1x5e s ILE 58 CO 0.19 0.25 0.43 0.00 -0.10 0.00 0.00 174.94 175.71 1x5e s ALA 59 N -0.63 -0.11 -0.00 9.38 0.00 0.21 -0.20 121.76 130.41 1x5e s ALA 59 Ca 0.06 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.11 1x5e s ALA 59 Cb -0.08 1.07 -0.00 0.00 0.00 0.00 0.00 23.12 24.11 1x5e s ALA 59 CO 0.01 -0.81 -0.05 -1.59 0.00 0.00 0.00 175.76 173.32 1x5e s LYS 60 N -4.02 0.42 0.09 0.00 -2.85 0.78 -3.28 119.74 110.88 1x5e s LYS 60 Ca 0.23 -0.18 0.09 0.00 -1.00 0.00 0.00 55.97 55.10 1x5e s LYS 60 Cb 0.00 -0.41 -0.04 0.00 -2.06 0.00 0.00 37.83 35.33 1x5e s LYS 60 CO 0.08 0.11 -0.19 0.08 0.10 0.00 0.00 175.35 175.53 1x5e s VAL 61 N -0.10 2.78 -0.19 1.79 1.01 -1.14 -3.80 120.40 120.75 1x5e s VAL 61 Ca 0.02 -1.42 -0.03 0.00 0.00 0.00 0.00 61.98 60.54 1x5e s VAL 61 Cb -0.02 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 1x5e s VAL 61 CO -0.00 0.17 -0.05 -0.62 0.00 0.00 0.00 175.10 174.60 1x5e s ASP 62 N -1.92 4.38 -0.07 3.32 -1.08 -1.26 -2.82 116.67 117.22 1x5e s ASP 62 Ca 0.17 -0.32 0.01 0.00 -0.52 0.00 0.00 52.55 51.89 1x5e s ASP 62 Cb -0.10 -1.73 0.13 0.00 -1.46 0.00 0.00 42.92 39.75 1x5e s ASP 62 CO 0.08 0.04 1.01 1.33 0.52 0.00 0.00 175.17 178.16 1x5e n VAL 63 N 4.36 1.08 0.00 1.11 0.24 -1.22 -2.17 118.33 121.73 1x5e n VAL 63 Ca -0.18 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 1x5e n VAL 63 Cb 0.51 -0.75 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 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 0.17 0.00 -0.08 3.34 -2.24 -1.26 -4.83 114.28 109.37 1x5e n THR 64 Ca 0.09 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.80 1x5e n THR 64 Cb 0.61 -0.45 -0.16 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.52 0.76 -3.58 -0.78 1.02 -1.22 -4.71 120.64 110.60 1x5e n GLU 65 Ca 0.00 -0.04 -0.38 0.00 -0.02 0.00 0.00 57.16 56.72 1x5e n GLU 65 Cb 0.27 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 30.12 1x5e n GLU 65 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1x5e s GLN 66 N -2.62 3.35 0.00 3.49 -1.52 -0.92 -4.87 119.66 116.57 1x5e s GLN 66 Ca -0.09 -3.13 0.14 0.00 -1.95 0.00 0.00 55.36 50.32 1x5e s GLN 66 Cb 0.07 -4.05 0.62 0.00 -0.22 0.00 0.00 33.01 29.43 1x5e s GLN 66 CO 0.82 -1.25 1.45 -0.35 -0.25 0.00 0.00 175.29 175.71 1x5e n PRO 67 N 2.62 0.02 -0.08 2.91 -0.04 -1.26 -3.42 135.00 135.75 1x5e n PRO 67 Ca 0.20 0.24 -0.09 0.00 -0.04 0.00 0.00 63.50 63.81 1x5e n PRO 67 Cb 0.38 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.29 1x5e n PRO 67 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1x5e h GLY 68 N 2.45 0.00 -0.17 0.55 0.00 -1.95 -3.36 103.07 100.58 1x5e h GLY 68 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.51 1x5e h GLY 68 CO 0.00 0.00 0.18 1.41 0.00 0.00 0.00 176.54 178.13 1x5e h LEU 69 N -1.00 -0.02 -0.95 3.11 3.38 -1.94 0.24 115.31 118.13 1x5e h LEU 69 Ca -0.10 0.16 0.22 0.00 0.09 0.00 0.00 57.88 58.25 1x5e h LEU 69 Cb 0.70 0.22 -0.12 0.00 0.09 0.00 0.00 40.66 41.55 1x5e h LEU 69 CO -0.06 -0.07 0.51 -1.28 0.09 0.00 0.00 178.44 177.63 1x5e h SER 70 N 0.25 0.57 0.87 -0.43 0.87 -1.75 0.51 113.55 114.43 1x5e h SER 70 Ca 0.44 0.13 -0.22 0.00 -1.23 0.00 0.00 61.79 60.92 1x5e h SER 70 Cb 0.79 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.77 1x5e h SER 70 CO -0.55 0.11 -1.21 1.23 -0.53 0.00 0.00 176.83 175.88 1x5e h GLY 71 N 0.56 0.00 1.97 5.77 0.00 -0.82 -1.83 103.07 108.72 1x5e h GLY 71 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1x5e h GLY 71 CO -0.46 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 173.95 1x5e n ARG 72 N -3.17 0.02 -0.00 4.80 0.63 0.36 -2.88 116.66 116.42 1x5e n ARG 72 Ca -0.06 0.19 0.01 0.00 -0.92 0.00 0.00 57.85 57.06 1x5e n ARG 72 Cb 0.93 -1.50 -0.01 0.00 0.45 0.00 0.00 32.46 32.33 1x5e n ARG 72 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1x5e n PHE 73 N -1.49 0.00 -2.89 -0.14 3.01 -0.27 -4.68 117.46 111.00 1x5e n PHE 73 Ca 0.05 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.39 1x5e n PHE 73 Cb 0.21 -0.02 0.06 0.00 -0.01 0.00 0.00 39.48 39.71 1x5e n PHE 73 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1x5e n ILE 74 N -1.44 -5.41 -2.48 4.37 -0.00 -0.72 -4.98 119.36 108.70 1x5e n ILE 74 Ca -0.00 -0.63 -0.40 0.00 -0.00 0.00 0.00 62.75 61.72 1x5e n ILE 74 Cb 0.03 -4.83 -0.04 0.00 -0.00 0.00 0.00 39.64 34.80 1x5e n ILE 74 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1x5e s ILE 75 N -3.27 3.49 -0.02 1.39 -1.09 -0.98 -4.95 121.20 115.77 1x5e s ILE 75 Ca 0.14 1.49 -0.01 0.00 -2.23 0.00 0.00 60.65 60.05 1x5e s ILE 75 Cb -0.02 -3.95 -0.01 0.00 -1.58 0.00 0.00 42.46 36.90 1x5e s ILE 75 CO 0.52 0.35 -0.03 0.59 -1.23 0.00 0.00 174.94 175.15 1x5e n ASN 76 N 1.16 0.94 -4.47 3.58 3.02 -1.26 -5.01 115.26 113.22 1x5e n ASN 76 Ca -0.01 0.02 -0.23 0.00 -0.03 0.00 0.00 54.58 54.33 1x5e n ASN 76 Cb 0.45 -0.06 -0.11 0.00 -0.61 0.00 0.00 39.78 39.45 1x5e n ASN 76 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5e s ALA 77 N -2.04 2.50 0.02 5.41 0.00 -1.26 -5.17 121.76 121.22 1x5e s ALA 77 Ca -0.03 -2.04 -0.06 0.00 0.00 0.00 0.00 51.96 49.82 1x5e s ALA 77 Cb 0.01 0.39 -0.00 0.00 0.00 0.00 0.00 23.12 23.52 1x5e s ALA 77 CO 0.04 -0.18 0.12 -0.51 0.00 0.00 0.00 175.76 175.23 1x5e s LEU 78 N -3.51 1.67 1.02 0.00 1.43 -1.26 -4.30 118.68 113.73 1x5e s LEU 78 Ca 0.34 -0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 52.94 1x5e s LEU 78 Cb 0.07 0.64 0.20 0.00 0.03 0.00 0.00 46.19 47.13 1x5e s LEU 78 CO 0.15 -0.44 1.09 -2.16 0.23 0.00 0.00 176.35 175.22 1x5e s PRO 79 N -1.98 0.28 -0.28 1.29 0.04 -1.26 -4.73 135.00 128.36 1x5e s PRO 79 Ca -0.10 0.47 -0.01 0.00 0.04 0.00 0.00 61.00 61.39 1x5e s PRO 79 Cb -0.05 -1.72 0.17 0.00 0.04 0.00 0.00 34.50 32.94 1x5e s PRO 79 CO -0.01 -2.82 0.51 0.99 0.04 0.00 0.00 177.00 175.70 1x5e s THR 80 N -2.97 -0.83 -0.01 1.26 2.01 -1.13 -5.00 115.64 108.96 1x5e s THR 80 Ca 0.66 -0.04 -0.13 0.00 0.31 0.00 0.00 61.69 62.49 1x5e s THR 80 Cb -0.19 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 1x5e s THR 80 CO 0.58 -0.06 0.36 -0.63 -0.69 0.00 0.00 174.62 174.18 1x5e s ILE 81 N 2.73 5.12 -0.09 1.82 1.01 -1.26 -1.48 121.20 129.04 1x5e s ILE 81 Ca 0.17 0.70 0.01 0.00 0.00 0.00 0.00 60.65 61.53 1x5e s ILE 81 Cb -0.15 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.69 1x5e s ILE 81 CO -0.19 0.56 -0.11 -0.31 0.00 0.00 0.00 174.94 174.89 1x5e s TYR 82 N -1.10 1.54 -0.34 3.97 2.02 -0.50 -2.49 117.35 120.45 1x5e s TYR 82 Ca 0.23 -0.69 -0.16 0.00 -0.37 0.00 0.00 57.07 56.08 1x5e s TYR 82 Cb -0.16 -1.19 -0.01 0.00 -0.40 0.00 0.00 41.96 40.20 1x5e s TYR 82 CO 0.12 -0.41 0.42 -1.58 -1.57 0.00 0.00 175.55 172.53 1x5e s HIS 83 N 1.17 3.20 -0.27 2.71 5.65 -0.72 -1.75 115.29 125.29 1x5e s HIS 83 Ca -0.05 0.09 -0.10 0.00 0.25 0.00 0.00 55.06 55.25 1x5e s HIS 83 Cb -0.14 -2.75 -0.04 0.00 -1.18 0.00 0.00 32.58 28.46 1x5e s HIS 83 CO -0.03 -0.45 0.15 0.00 -0.65 0.00 0.00 174.74 173.76 1x5e s LYS 85 N 1.62 1.46 -1.60 0.00 2.20 0.10 -1.12 119.74 122.41 1x5e s LYS 85 Ca 0.07 -0.87 -0.14 0.00 -0.36 0.00 0.00 55.97 54.67 1x5e s LYS 85 Cb -0.15 -2.48 0.11 0.00 -1.51 0.00 0.00 37.83 33.80 1x5e s LYS 85 CO 0.08 -0.59 0.81 -0.25 -0.36 0.00 0.00 175.35 175.04 1x5e n ASP 86 N 4.75 -3.40 0.00 1.43 8.00 -1.24 -0.91 116.55 125.19 1x5e n ASP 86 Ca -0.12 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.46 1x5e n ASP 86 Cb 0.45 -3.22 0.00 0.00 -0.02 0.00 0.00 41.12 38.33 1x5e n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x5e n GLY 87 N -1.58 2.87 3.70 0.44 0.00 0.43 -4.88 105.19 106.16 1x5e n GLY 87 Ca 0.01 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 1x5e n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5e s GLU 88 N 0.00 1.47 0.10 1.61 0.41 -0.08 -4.89 118.70 117.31 1x5e s GLU 88 Ca 0.00 1.62 0.05 0.00 -0.41 0.00 0.00 54.97 56.23 1x5e s GLU 88 Cb 0.00 -1.77 -0.03 0.00 -1.78 0.00 0.00 34.13 30.55 1x5e s GLU 88 CO 0.00 -2.31 -0.13 -0.06 -0.49 0.00 0.00 175.26 172.27 1x5e s PHE 89 N -2.40 1.25 -0.25 1.61 0.08 -1.26 0.01 117.98 117.02 1x5e s PHE 89 Ca 0.70 -0.55 -0.04 0.00 0.12 0.00 0.00 56.93 57.15 1x5e s PHE 89 Cb -0.25 -0.67 0.13 0.00 -0.57 0.00 0.00 43.02 41.66 1x5e s PHE 89 CO 0.53 0.08 0.47 1.03 -0.10 0.00 0.00 175.22 177.23 1x5e s ARG 90 N -2.41 0.41 0.30 0.44 0.52 0.09 -2.00 118.95 116.30 1x5e s ARG 90 Ca 0.04 0.88 -0.30 0.00 -0.52 0.00 0.00 55.73 55.84 1x5e s ARG 90 Cb -0.06 0.12 -0.12 0.00 0.52 0.00 0.00 34.95 35.41 1x5e s ARG 90 CO 0.02 -0.48 1.55 -2.13 0.02 0.00 0.00 175.30 174.29 1x5e n ARG 91 N 5.40 2.62 0.14 3.54 0.63 -1.26 -1.76 116.66 125.97 1x5e n ARG 91 Ca -0.05 0.93 -0.14 0.00 -0.92 0.00 0.00 57.85 57.66 1x5e n ARG 91 Cb 0.50 -2.69 -0.08 0.00 0.45 0.00 0.00 32.46 30.64 1x5e n ARG 91 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 1x5e h TYR 92 N 4.41 -1.26 -5.19 -0.14 3.20 -1.87 -3.47 116.97 112.64 1x5e h TYR 92 Ca -0.47 0.03 -0.30 0.00 3.14 0.00 0.00 58.73 61.12 1x5e h TYR 92 Cb 1.23 0.52 0.14 0.00 1.54 0.00 0.00 36.73 40.17 1x5e h TYR 92 CO 0.57 -0.53 -0.66 1.04 -1.64 0.00 0.00 178.16 176.95 1x5e n GLN 93 N -5.00 -6.01 -3.65 1.82 6.02 -1.26 -5.02 117.38 104.28 1x5e n GLN 93 Ca -0.08 0.74 -0.14 0.00 -0.01 0.00 0.00 57.00 57.51 1x5e n GLN 93 Cb 0.36 -5.44 -0.05 0.00 1.02 0.00 0.00 30.24 26.13 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 -1.25 2.94 0.00 1.08 0.00 -1.26 -5.02 105.19 101.67 1x5e n GLY 94 Ca -0.20 -1.76 0.07 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.48 0.02 -3.35 1.61 -0.04 -1.26 -4.90 135.00 126.60 1x5e n PRO 95 Ca 0.04 0.25 -0.16 0.00 -0.04 0.00 0.00 63.50 63.59 1x5e n PRO 95 Cb 0.46 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.48 -4.45 -4.37 0.54 1.74 -1.26 -5.02 116.66 102.35 1x5e n ARG 96 Ca 0.04 0.85 -0.29 0.00 -0.77 0.00 0.00 57.85 57.67 1x5e n ARG 96 Cb 0.16 -5.82 -0.12 0.00 -1.02 0.00 0.00 32.46 25.66 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 -3.38 2.52 0.14 0.55 -4.23 -1.26 -4.90 115.64 105.08 1x5e s THR 97 Ca 0.22 -1.62 -0.32 0.00 -1.18 0.00 0.00 61.69 58.79 1x5e s THR 97 Cb -0.03 -2.13 -0.08 0.00 1.34 0.00 0.00 72.50 71.60 1x5e s THR 97 CO 0.74 0.11 1.55 0.50 -0.54 0.00 0.00 174.62 176.97 1x5e h LYS 98 N 3.86 -0.24 -0.00 3.99 3.64 -1.96 -0.62 116.57 125.24 1x5e h LYS 98 Ca -0.50 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1x5e h LYS 98 Cb 1.17 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1x5e h LYS 98 CO 0.42 -0.16 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.12 1x5e h LYS 99 N -0.25 -0.12 -0.86 1.90 3.64 -1.97 -2.73 116.57 116.18 1x5e h LYS 99 Ca 0.11 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.59 1x5e h LYS 99 Cb 0.53 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.27 1x5e h LYS 99 CO -0.72 -0.08 -0.48 -3.47 -2.27 0.00 0.00 179.45 172.42 1x5e n ASP 100 N -3.07 -0.86 -0.18 4.20 2.03 -0.99 -1.01 116.55 116.67 1x5e n ASP 100 Ca -0.01 1.52 -0.05 0.00 0.52 0.00 0.00 54.79 56.77 1x5e n ASP 100 Cb 0.08 -0.22 -0.04 0.00 -0.72 0.00 0.00 41.12 40.22 1x5e n ASP 100 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1x5e n PHE 101 N -5.10 -0.18 -0.15 -0.67 3.72 -0.28 -1.18 117.46 113.62 1x5e n PHE 101 Ca 0.03 0.52 -0.04 0.00 -0.05 0.00 0.00 57.45 57.91 1x5e n PHE 101 Cb 0.24 -0.49 -0.04 0.00 -0.94 0.00 0.00 39.48 38.25 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 -3.94 -0.24 -0.19 4.37 -0.00 -0.18 0.47 119.36 119.65 1x5e n ILE 102 Ca 0.01 1.46 -0.01 0.00 -0.00 0.00 0.00 62.75 64.22 1x5e n ILE 102 Cb 0.11 -1.87 0.08 0.00 -0.00 0.00 0.00 39.64 37.96 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 -0.31 -0.91 4.38 2.35 -1.12 0.53 115.58 120.51 1x5e h ASN 103 Ca 0.06 0.15 0.21 0.00 -0.55 0.00 0.00 56.30 56.16 1x5e h ASN 103 Cb 0.15 0.27 -0.07 0.00 0.05 0.00 0.00 38.32 38.72 1x5e h ASN 103 CO -0.34 -0.12 0.60 0.15 -1.65 0.00 0.00 177.43 176.08 1x5e h PHE 104 N 0.09 0.52 0.00 1.19 3.57 0.14 1.89 116.94 124.34 1x5e h PHE 104 Ca 0.29 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1x5e h PHE 104 Cb 0.46 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1x5e h PHE 104 CO -0.37 0.13 -0.20 0.82 -2.23 0.00 0.00 178.31 176.46 1x5e h ILE 105 N 0.38 0.00 -0.00 1.41 1.08 0.12 -2.66 117.51 117.85 1x5e h ILE 105 Ca 0.47 -0.60 -0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1x5e h ILE 105 Cb 1.21 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.96 1x5e h ILE 105 CO -0.17 0.00 0.00 -1.28 -0.69 0.00 0.00 178.15 176.01 1x5e h SER 106 N -0.60 0.00 0.00 1.72 0.87 -0.03 -1.78 113.55 113.73 1x5e h SER 106 Ca 0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1x5e h SER 106 Cb 0.20 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1x5e h SER 106 CO 0.00 0.11 0.00 -0.67 -0.53 0.00 0.00 176.83 175.74 1x5e n ASP 107 N -5.04 0.00 -3.86 6.23 -0.08 0.64 -4.85 116.55 109.59 1x5e n ASP 107 Ca -0.07 -1.38 -0.33 0.00 -1.51 0.00 0.00 54.79 51.50 1x5e n ASP 107 Cb 0.08 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.48 1x5e n ASP 107 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1x5e n LYS 108 N -0.66 -0.78 -0.13 -0.67 5.02 -0.67 -4.70 118.16 115.56 1x5e n LYS 108 Ca 0.07 0.11 0.26 0.00 -2.02 0.00 0.00 58.31 56.72 1x5e n LYS 108 Cb 0.03 -3.61 0.70 0.00 -0.02 0.00 0.00 35.03 32.14 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 -0.69 0.02 -1.13 1.97 5.08 -1.55 -0.08 114.58 118.20 1x5e h GLU 109 Ca -0.47 -0.00 0.31 0.00 -1.00 0.00 0.00 59.36 58.21 1x5e h GLU 109 Cb 1.07 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.23 1x5e h GLU 109 CO 0.69 0.02 0.75 0.11 -1.00 0.00 0.00 179.01 179.58 1x5e h TRP 110 N 0.02 0.45 -0.96 4.33 5.08 -1.84 0.37 115.95 123.40 1x5e h TRP 110 Ca 0.38 0.02 0.23 0.00 1.08 0.00 0.00 58.89 60.60 1x5e h TRP 110 Cb 1.49 -0.13 -0.07 0.00 -3.00 0.00 0.00 29.16 27.45 1x5e h TRP 110 CO -0.00 0.01 0.64 0.87 -1.28 0.00 0.00 178.44 178.67 1x5e h LYS 111 N 0.24 0.33 -0.79 0.12 1.57 -1.35 0.82 116.57 117.52 1x5e h LYS 111 Ca 0.62 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 1x5e h LYS 111 Cb 1.88 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.12 1x5e h LYS 111 CO -0.23 0.22 0.00 0.43 -0.57 0.00 0.00 179.45 179.30 1x5e n SER 112 N -4.50 1.69 -4.29 0.86 7.64 0.13 -4.79 113.62 110.36 1x5e n SER 112 Ca 0.21 -2.14 -0.30 0.00 1.01 0.00 0.00 58.87 57.65 1x5e n SER 112 Cb 0.81 -0.46 -0.16 0.00 -1.01 0.00 0.00 64.21 63.39 1x5e n SER 112 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1x5e s ILE 113 N -1.41 1.94 -0.32 0.44 1.01 0.29 -5.09 121.20 118.04 1x5e s ILE 113 Ca 0.10 -1.05 -0.29 0.00 0.00 0.00 0.00 60.65 59.41 1x5e s ILE 113 Cb 0.07 -1.61 -0.00 0.00 0.01 0.00 0.00 42.46 40.93 1x5e s ILE 113 CO 0.04 0.54 1.43 -1.61 0.00 0.00 0.00 174.94 175.34 1x5e s GLU 114 N -0.58 3.74 1.05 2.79 2.02 -1.26 -5.01 118.70 121.45 1x5e s GLU 114 Ca 0.09 1.24 -0.14 0.00 0.02 0.00 0.00 54.97 56.18 1x5e s GLU 114 Cb -0.09 -3.98 0.21 0.00 0.10 0.00 0.00 34.13 30.37 1x5e s GLU 114 CO -0.01 -1.35 1.10 -1.25 0.02 0.00 0.00 175.26 173.77 1x5e s PRO 115 N 4.61 0.04 0.12 0.39 0.04 -1.26 -4.72 135.00 134.22 1x5e s PRO 115 Ca 0.62 0.38 0.08 0.00 0.04 0.00 0.00 61.00 62.13 1x5e s PRO 115 Cb -0.18 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1x5e s PRO 115 CO 0.28 -2.97 -0.14 0.14 0.04 0.00 0.00 177.00 174.36 1x5e s VAL 116 N -2.98 3.11 -0.13 -0.36 -7.23 -0.85 -5.01 120.40 106.95 1x5e s VAL 116 Ca 0.67 -1.41 -0.13 0.00 -1.81 0.00 0.00 61.98 59.29 1x5e s VAL 116 Cb -0.17 -2.45 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 1x5e s VAL 116 CO 0.57 0.09 -0.27 -0.24 -0.31 0.00 0.00 175.10 174.94 1x5e n SER 117 N 0.69 1.70 -4.51 4.85 2.88 -1.26 -4.25 113.62 113.72 1x5e n SER 117 Ca -0.14 0.28 -0.25 0.00 -1.33 0.00 0.00 58.87 57.43 1x5e n SER 117 Cb 0.53 -0.64 -0.17 0.00 -0.75 0.00 0.00 64.21 63.17 1x5e n SER 117 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x5e n SER 118 N -4.18 -0.29 -3.74 -3.46 7.64 -1.26 -4.80 113.62 103.53 1x5e n SER 118 Ca -0.16 -0.60 -0.29 0.00 1.01 0.00 0.00 58.87 58.83 1x5e n SER 118 Cb 0.47 -0.89 -0.12 0.00 -1.01 0.00 0.00 64.21 62.66 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 5.27 2.41 -0.93 1.43 -0.11 -1.26 -5.05 118.94 120.70 1x5e s TRP 119 Ca 1.23 -2.75 -0.20 0.00 1.22 0.00 0.00 56.10 55.60 1x5e s TRP 119 Cb -0.74 -2.07 0.10 0.00 -1.50 0.00 0.00 33.47 29.26 1x5e s TRP 119 CO 0.44 -0.72 1.21 0.12 -4.62 0.00 0.00 176.95 173.38 1x5e s PHE 120 N -0.25 2.90 -0.19 5.86 5.36 -1.26 -4.93 117.98 125.46 1x5e s PHE 120 Ca 0.22 -1.13 -0.04 0.00 -0.96 0.00 0.00 56.93 55.01 1x5e s PHE 120 Cb -0.15 -4.41 0.08 0.00 -0.34 0.00 0.00 43.02 38.21 1x5e s PHE 120 CO -0.07 -1.64 0.18 -1.12 -1.46 0.00 0.00 175.22 171.11 1x5e s SER 121 N 4.02 1.60 0.00 6.13 0.01 -1.26 -4.87 113.70 119.33 1x5e s SER 121 Ca 0.36 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.32 1x5e s SER 121 Cb -0.05 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.40 1x5e s SER 121 CO -0.07 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.86 1x5e n GLY 122 N 5.31 1.01 2.43 3.44 0.00 -1.26 -5.07 105.19 111.04 1x5e n GLY 122 Ca -0.06 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 1x5e n GLY 122 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5e n PRO 123 N 0.00 -2.50 -5.15 1.61 -0.04 -1.26 -5.07 135.00 122.60 1x5e n PRO 123 Ca 0.00 -1.21 -0.30 0.00 -0.04 0.00 0.00 63.50 61.95 1x5e n PRO 123 Cb 0.00 -1.13 -0.16 0.00 -0.04 0.00 0.00 33.50 32.16 1x5e n PRO 123 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x5e s SER 124 N -3.55 2.79 0.39 3.54 1.04 -1.26 -5.14 113.70 111.52 1x5e s SER 124 Ca 0.49 -0.46 0.03 0.00 0.48 0.00 0.00 55.95 56.50 1x5e s SER 124 Cb -0.05 -0.67 -0.04 0.00 0.10 0.00 0.00 66.02 65.36 1x5e s SER 124 CO 0.38 0.23 0.09 -0.94 0.98 0.00 0.00 173.24 173.98 1x5e s SER 125 N -0.20 2.79 0.00 7.02 1.04 -1.26 -5.34 113.70 117.75 1x5e s SER 125 Ca -0.01 -1.56 0.00 0.00 0.48 0.00 0.00 55.95 54.86 1x5e s SER 125 Cb -0.12 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1x5e s SER 125 CO 0.02 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.05