#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5e s SER 2 N 0.00 6.53 -0.08 1.61 1.04 -1.26 -5.09 113.70 116.45 1x5e s SER 2 Ca 0.00 1.03 0.04 0.00 0.48 0.00 0.00 55.95 57.50 1x5e s SER 2 Cb 0.00 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.84 1x5e s SER 2 CO 0.00 -0.32 -0.20 -0.44 0.98 0.00 0.00 173.24 173.26 1x5e s SER 3 N -3.04 2.63 0.21 7.02 0.01 -1.26 -5.14 113.70 114.14 1x5e s SER 3 Ca 0.50 -0.46 0.08 0.00 1.31 0.00 0.00 55.95 57.37 1x5e s SER 3 Cb -0.10 -1.12 -0.05 0.00 0.21 0.00 0.00 66.02 64.96 1x5e s SER 3 CO 0.29 0.13 -0.14 -0.83 0.41 0.00 0.00 173.24 173.10 1x5e s GLY 4 N 0.36 1.44 -0.71 3.44 0.00 -1.26 -5.05 107.32 105.55 1x5e s GLY 4 Ca -0.15 -1.67 -0.01 0.00 0.00 0.00 0.00 44.72 42.88 1x5e s GLY 4 CO 0.06 -1.76 1.97 1.44 0.00 0.00 0.00 173.10 174.82 1x5e n SER 5 N -0.39 7.46 -4.82 1.64 7.64 -1.26 -4.98 113.62 118.91 1x5e n SER 5 Ca -0.08 -3.80 -0.25 0.00 1.01 0.00 0.00 58.87 55.74 1x5e n SER 5 Cb 0.60 -0.97 -0.05 0.00 -1.01 0.00 0.00 64.21 62.79 1x5e n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5e s SER 6 N -1.69 5.61 0.10 6.43 0.01 -1.26 -5.04 113.70 117.85 1x5e s SER 6 Ca 0.59 -0.12 -0.35 0.00 1.31 0.00 0.00 55.95 57.39 1x5e s SER 6 Cb 0.48 -1.48 -0.18 0.00 0.21 0.00 0.00 66.02 65.05 1x5e s SER 6 CO -0.15 0.05 0.96 0.61 0.41 0.00 0.00 173.24 175.12 1x5e n GLY 7 N -0.52 -0.54 0.37 3.44 0.00 -1.26 -4.81 105.19 101.87 1x5e n GLY 7 Ca -0.08 0.59 0.09 0.00 0.00 0.00 0.00 46.02 46.62 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 2.65 0.83 -2.95 1.61 2.35 -1.96 -3.40 115.58 114.70 1x5e h ASN 8 Ca -0.43 0.05 -0.53 0.00 -0.55 0.00 0.00 56.30 54.84 1x5e h ASN 8 Cb 1.40 -0.12 0.02 0.00 0.05 0.00 0.00 38.32 39.68 1x5e h ASN 8 CO 0.65 0.43 0.77 -0.69 -1.65 0.00 0.00 177.43 176.94 1x5e s VAL 9 N -5.86 3.31 0.20 2.81 1.01 -1.26 -4.67 120.40 115.93 1x5e s VAL 9 Ca -0.11 0.90 -0.06 0.00 0.00 0.00 0.00 61.98 62.70 1x5e s VAL 9 Cb 0.22 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.97 1x5e s VAL 9 CO 0.80 0.05 0.47 -0.13 0.00 0.00 0.00 175.10 176.29 1x5e s ARG 10 N 1.42 3.69 -0.46 2.72 1.81 0.55 -4.92 118.95 123.75 1x5e s ARG 10 Ca 0.65 0.05 -0.08 0.00 -1.72 0.00 0.00 55.73 54.64 1x5e s ARG 10 Cb -0.37 -2.74 0.12 0.00 -0.45 0.00 0.00 34.95 31.51 1x5e s ARG 10 CO 0.30 0.37 0.32 0.08 -0.68 0.00 0.00 175.30 175.69 1x5e s VAL 11 N -1.79 4.03 0.35 3.52 1.01 -1.26 -0.44 120.40 125.82 1x5e s VAL 11 Ca 0.44 -1.84 -0.25 0.00 0.00 0.00 0.00 61.98 60.32 1x5e s VAL 11 Cb -0.11 -3.67 -0.10 0.00 0.00 0.00 0.00 36.38 32.49 1x5e s VAL 11 CO 0.24 -0.76 0.95 -0.63 0.00 0.00 0.00 175.10 174.90 1x5e s ILE 12 N 1.32 4.21 0.23 2.22 -1.09 -1.23 -4.99 121.20 121.86 1x5e s ILE 12 Ca 0.06 1.73 0.01 0.00 -2.23 0.00 0.00 60.65 60.23 1x5e s ILE 12 Cb -0.26 -3.91 -0.00 0.00 -1.58 0.00 0.00 42.46 36.71 1x5e s ILE 12 CO -0.01 0.05 0.05 0.35 -1.23 0.00 0.00 174.94 174.14 1x5e n THR 13 N 0.30 0.00 0.77 2.92 -2.24 -1.26 -4.85 114.28 109.92 1x5e n THR 13 Ca 0.03 -1.23 0.07 0.00 -2.27 0.00 0.00 64.05 60.65 1x5e n THR 13 Cb 0.51 0.37 0.38 0.00 -2.10 0.00 0.00 70.33 69.48 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 -1.55 0.00 -0.03 3.42 2.03 -1.26 -1.51 116.55 117.65 1x5e n ASP 14 Ca -0.06 -0.27 -0.04 0.00 0.52 0.00 0.00 54.79 54.93 1x5e n ASP 14 Cb 0.32 -0.08 -0.02 0.00 -0.72 0.00 0.00 41.12 40.62 1x5e n ASP 14 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1x5e n GLU 15 N -1.08 0.12 0.23 -0.67 4.71 -1.26 -4.66 120.64 118.03 1x5e n GLU 15 Ca 0.09 0.04 0.10 0.00 -0.01 0.00 0.00 57.16 57.38 1x5e n GLU 15 Cb 0.06 -0.92 0.54 0.00 -1.01 0.00 0.00 31.44 30.11 1x5e n GLU 15 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 1x5e h ASN 16 N -0.09 0.00 -0.86 1.62 4.21 -1.91 -3.24 115.58 115.31 1x5e h ASN 16 Ca -0.12 0.00 0.16 0.00 1.21 0.00 0.00 56.30 57.54 1x5e h ASN 16 Cb 1.15 0.00 -0.15 0.00 -1.12 0.00 0.00 38.32 38.19 1x5e h ASN 16 CO -0.05 0.22 -0.27 -2.67 -1.29 0.00 0.00 177.43 173.38 1x5e n TRP 17 N -3.56 0.19 -0.27 1.19 4.27 -0.57 0.68 117.44 119.38 1x5e n TRP 17 Ca -0.01 1.06 0.01 0.00 -3.89 0.00 0.00 57.50 54.67 1x5e n TRP 17 Cb 0.37 -0.93 0.08 0.00 -1.36 0.00 0.00 31.31 29.47 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 -0.03 -1.47 -2.67 3.08 -1.86 0.59 114.38 112.03 1x5e h ARG 18 Ca 0.37 0.00 0.45 0.00 0.07 0.00 0.00 59.98 60.87 1x5e h ARG 18 Cb 0.58 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.54 1x5e h ARG 18 CO -0.88 -0.02 1.01 0.93 -1.07 0.00 0.00 179.97 179.95 1x5e h GLU 19 N -0.03 0.06 -0.91 0.04 3.07 0.01 0.71 114.58 117.54 1x5e h GLU 19 Ca 0.35 -0.00 0.12 0.00 -0.50 0.00 0.00 59.36 59.33 1x5e h GLU 19 Cb 0.57 -0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 28.38 1x5e h GLU 19 CO -0.80 0.04 0.54 -0.07 -1.40 0.00 0.00 179.01 177.32 1x5e h LEU 20 N 0.07 0.75 -2.36 1.33 3.38 0.17 0.21 115.31 118.86 1x5e h LEU 20 Ca 0.80 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.83 1x5e h LEU 20 Cb 2.81 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 43.47 1x5e h LEU 20 CO -0.22 0.39 0.21 -0.07 0.09 0.00 0.00 178.44 178.84 1x5e h LEU 21 N 0.84 0.00 -9.22 1.67 3.38 0.33 -3.40 115.31 108.91 1x5e h LEU 21 Ca 0.46 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.83 1x5e h LEU 21 Cb 0.50 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.13 1x5e h LEU 21 CO -0.28 0.00 -0.42 -1.61 0.09 0.00 0.00 178.44 176.21 1x5e s GLU 22 N -4.16 4.18 0.45 1.13 2.02 0.73 -2.47 118.70 120.57 1x5e s GLU 22 Ca -0.04 -0.11 0.00 0.00 0.02 0.00 0.00 54.97 54.84 1x5e s GLU 22 Cb 0.11 -3.46 0.00 0.00 0.10 0.00 0.00 34.13 30.88 1x5e s GLU 22 CO 0.35 0.19 0.00 0.41 0.02 0.00 0.00 175.26 176.23 1x5e n GLY 23 N 3.71 -1.76 3.78 -1.39 0.00 -1.26 -4.76 105.19 103.51 1x5e n GLY 23 Ca -0.14 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.41 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 -6.79 6.94 -0.18 1.61 1.11 -1.26 -3.34 116.67 114.76 1x5e s ASP 24 Ca 0.00 2.03 -0.06 0.00 0.18 0.00 0.00 52.55 54.70 1x5e s ASP 24 Cb 0.00 -2.59 0.08 0.00 1.07 0.00 0.00 42.92 41.48 1x5e s ASP 24 CO 0.00 -0.36 0.39 0.26 1.18 0.00 0.00 175.17 176.64 1x5e s TRP 25 N -1.58 -0.72 -0.39 4.23 0.52 0.15 -3.35 118.94 117.80 1x5e s TRP 25 Ca 0.54 1.41 -0.16 0.00 0.02 0.00 0.00 56.10 57.91 1x5e s TRP 25 Cb -0.23 0.23 0.01 0.00 -1.15 0.00 0.00 33.47 32.33 1x5e s TRP 25 CO 0.29 -0.45 0.37 -1.64 0.02 0.00 0.00 176.95 175.54 1x5e s MET 26 N 2.56 3.25 0.08 4.98 -1.94 0.73 -1.33 119.30 127.62 1x5e s MET 26 Ca -0.01 -0.70 0.04 0.00 -1.71 0.00 0.00 55.69 53.32 1x5e s MET 26 Cb -0.12 -3.91 -0.04 0.00 2.01 0.00 0.00 34.83 32.77 1x5e s MET 26 CO -0.12 -0.70 0.01 0.42 -0.01 0.00 0.00 175.02 174.62 1x5e s ILE 27 N 1.98 4.10 -0.21 2.53 1.01 -0.75 -0.19 121.20 129.67 1x5e s ILE 27 Ca 0.10 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.79 1x5e s ILE 27 Cb -0.17 -2.95 0.09 0.00 0.01 0.00 0.00 42.46 39.44 1x5e s ILE 27 CO 0.12 0.15 0.16 -1.83 0.00 0.00 0.00 174.94 173.54 1x5e s GLU 28 N -2.24 0.15 -0.36 2.79 4.04 -1.18 -0.45 118.70 121.45 1x5e s GLU 28 Ca 0.26 -0.07 -0.29 0.00 0.04 0.00 0.00 54.97 54.91 1x5e s GLU 28 Cb -0.12 -1.40 0.01 0.00 0.02 0.00 0.00 34.13 32.65 1x5e s GLU 28 CO 0.18 -0.76 1.25 -0.06 -1.84 0.00 0.00 175.26 174.03 1x5e s PHE 29 N 2.22 2.74 0.43 4.83 0.40 -0.39 -3.25 117.98 124.96 1x5e s PHE 29 Ca 0.06 0.86 0.03 0.00 -0.60 0.00 0.00 56.93 57.28 1x5e s PHE 29 Cb -0.16 -4.05 -0.04 0.00 0.51 0.00 0.00 43.02 39.29 1x5e s PHE 29 CO -0.17 -1.50 0.05 1.52 0.70 0.00 0.00 175.22 175.82 1x5e s TYR 30 N 4.45 1.98 -0.05 0.36 -0.85 -1.19 -2.07 117.35 119.97 1x5e s TYR 30 Ca 0.54 -1.00 -0.04 0.00 -0.52 0.00 0.00 57.07 56.04 1x5e s TYR 30 Cb -0.13 -1.45 0.02 0.00 0.38 0.00 0.00 41.96 40.77 1x5e s TYR 30 CO 0.25 0.08 0.13 0.00 -1.52 0.00 0.00 175.55 174.49 1x5e s ALA 31 N -3.02 -0.32 -1.18 9.51 0.00 -1.26 -3.46 121.76 122.03 1x5e s ALA 31 Ca 0.22 0.42 0.14 0.00 0.00 0.00 0.00 51.96 52.74 1x5e s ALA 31 Cb 0.05 -0.25 0.67 0.00 0.00 0.00 0.00 23.12 23.58 1x5e s ALA 31 CO 0.11 -0.08 1.43 -0.35 0.00 0.00 0.00 175.76 176.88 1x5e n PRO 32 N 3.19 0.09 -0.59 0.00 -0.04 -1.26 -2.30 135.00 134.09 1x5e n PRO 32 Ca -0.14 0.21 0.03 0.00 -0.04 0.00 0.00 63.50 63.55 1x5e n PRO 32 Cb 0.58 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.41 0.59 -5.07 0.54 4.27 -1.26 -4.99 117.44 110.12 1x5e n TRP 33 Ca 0.05 -1.38 -0.29 0.00 -3.89 0.00 0.00 57.50 51.98 1x5e n TRP 33 Cb 0.15 -0.35 -0.16 0.00 -1.36 0.00 0.00 31.31 29.58 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 6.28 0.67 -0.83 0.00 0.13 -1.94 -3.15 132.00 133.16 1x5e h PRO 35 Ca -0.30 -0.35 -0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1x5e h PRO 35 Cb 1.19 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1x5e h PRO 35 CO 0.47 0.96 0.50 0.00 -0.23 0.00 0.00 178.00 179.71 1x5e h ALA 36 N 0.70 1.06 -0.34 -0.56 0.00 -1.95 -2.78 119.26 115.39 1x5e h ALA 36 Ca 0.04 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1x5e h ALA 36 Cb 0.84 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1x5e h ALA 36 CO 0.07 0.52 0.06 0.00 0.00 0.00 0.00 179.25 179.90 1x5e h GLN 38 N 0.18 0.00 0.10 0.00 4.20 -1.45 0.35 115.11 118.49 1x5e h GLN 38 Ca 0.16 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.61 1x5e h GLN 38 Cb 0.19 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.97 1x5e h GLN 38 CO -0.22 0.00 -1.18 -0.97 -0.67 0.00 0.00 178.83 175.79 1x5e h ASN 39 N 0.00 0.49 1.51 1.46 -0.73 -1.02 -3.27 115.58 114.03 1x5e h ASN 39 Ca 0.22 -0.48 -0.09 0.00 1.87 0.00 0.00 56.30 57.82 1x5e h ASN 39 Cb 1.08 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.50 1x5e h ASN 39 CO -0.00 1.35 -0.49 0.25 -0.37 0.00 0.00 177.43 178.16 1x5e h LEU 40 N 0.12 0.00 -0.95 0.34 5.85 -0.17 -3.33 115.31 117.18 1x5e h LEU 40 Ca -0.13 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.70 1x5e h LEU 40 Cb 1.88 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.78 1x5e h LEU 40 CO 0.20 0.43 -0.51 1.56 -0.34 0.00 0.00 178.44 179.78 1x5e h GLN 41 N 0.00 -0.03 -0.19 1.25 1.08 -0.52 0.32 115.11 117.02 1x5e h GLN 41 Ca -0.01 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.11 1x5e h GLN 41 Cb 1.34 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.77 1x5e h GLN 41 CO 0.05 -0.02 -0.18 -1.00 -0.95 0.00 0.00 178.83 176.73 1x5e h PRO 42 N -0.03 0.46 -0.91 1.46 0.13 -1.76 -3.03 132.00 128.32 1x5e h PRO 42 Ca 0.22 -0.24 0.18 0.00 -0.87 0.00 0.00 66.00 65.29 1x5e h PRO 42 Cb 0.49 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.56 1x5e h PRO 42 CO -0.93 0.81 0.59 0.93 -0.23 0.00 0.00 178.00 179.17 1x5e h GLU 43 N 0.12 0.54 -0.23 0.86 5.08 -1.34 -0.76 114.58 118.86 1x5e h GLU 43 Ca 0.03 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1x5e h GLU 43 Cb 0.72 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1x5e h GLU 43 CO 0.05 0.36 -0.15 2.35 -1.00 0.00 0.00 179.01 180.61 1x5e h TRP 44 N 0.56 0.59 -0.24 4.33 -0.00 -0.37 -2.89 115.95 117.93 1x5e h TRP 44 Ca 0.47 -0.16 0.05 0.00 -0.00 0.00 0.00 58.89 59.25 1x5e h TRP 44 Cb 0.96 -0.13 -0.05 0.00 -0.00 0.00 0.00 29.16 29.94 1x5e h TRP 44 CO -0.00 0.81 -0.06 0.93 -0.00 0.00 0.00 178.44 180.12 1x5e h GLU 45 N 0.21 -0.00 -0.03 2.65 5.08 -1.04 0.02 114.58 121.46 1x5e h GLU 45 Ca 0.05 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1x5e h GLU 45 Cb 0.68 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1x5e h GLU 45 CO 0.04 -0.00 0.03 1.03 -1.00 0.00 0.00 179.01 179.11 1x5e h SER 46 N -0.00 0.00 0.23 1.42 0.87 -1.40 -2.72 113.55 111.95 1x5e h SER 46 Ca 0.12 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1x5e h SER 46 Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1x5e h SER 46 CO -0.25 0.00 -0.11 0.15 -0.53 0.00 0.00 176.83 176.09 1x5e h PHE 47 N 0.00 -0.29 0.00 2.24 3.57 -0.84 -3.22 116.94 118.41 1x5e h PHE 47 Ca 0.02 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1x5e h PHE 47 Cb 0.08 0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1x5e h PHE 47 CO 0.00 -0.12 0.49 0.00 -2.23 0.00 0.00 178.31 176.45 1x5e h ALA 48 N -0.99 1.46 0.35 2.41 0.00 -0.96 -0.30 119.26 121.22 1x5e h ALA 48 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1x5e h ALA 48 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1x5e h ALA 48 CO 0.05 -0.46 -0.26 0.93 0.00 0.00 0.00 179.25 179.51 1x5e h GLU 49 N 0.00 -0.59 0.00 0.00 5.08 -1.49 -3.08 114.58 114.50 1x5e h GLU 49 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1x5e h GLU 49 Cb 0.99 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1x5e h GLU 49 CO 0.00 -0.39 -0.97 -2.67 -1.00 0.00 0.00 179.01 173.98 1x5e n TRP 50 N -5.39 0.27 0.00 4.33 4.27 -0.45 -4.58 117.44 115.90 1x5e n TRP 50 Ca -0.10 0.08 0.00 0.00 -3.89 0.00 0.00 57.50 53.59 1x5e n TRP 50 Cb 0.29 -0.43 0.00 0.00 -1.36 0.00 0.00 31.31 29.81 1x5e n TRP 50 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1x5e n GLY 51 N 1.38 -2.90 0.36 -1.67 0.00 -0.25 0.15 105.19 102.25 1x5e n GLY 51 Ca 0.02 0.57 0.18 0.00 0.00 0.00 0.00 46.02 46.79 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 0.00 -0.57 1.61 9.09 -1.60 0.15 114.58 123.27 1x5e h GLU 52 Ca 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.33 1x5e h GLU 52 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.08 1x5e h GLU 52 CO 0.00 0.00 0.03 0.22 0.05 0.00 0.00 179.01 179.31 1x5e h ASP 53 N 0.00 0.92 -0.39 3.06 3.58 0.11 -2.34 116.42 121.35 1x5e h ASP 53 Ca 0.10 -0.23 -0.04 0.00 0.42 0.00 0.00 57.03 57.27 1x5e h ASP 53 Cb 0.89 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.67 1x5e h ASP 53 CO -0.00 0.96 0.05 0.18 -2.88 0.00 0.00 179.24 177.55 1x5e n LEU 54 N -4.20 4.14 -3.15 2.28 4.77 0.51 -4.89 117.00 116.46 1x5e n LEU 54 Ca 0.03 -2.11 -0.15 0.00 -0.03 0.00 0.00 56.01 53.76 1x5e n LEU 54 Cb 0.31 -0.63 0.07 0.00 -2.33 0.00 0.00 43.42 40.84 1x5e n LEU 54 CO 0.43 0.53 0.06 -0.62 -1.33 0.00 0.00 177.39 176.46 1x5e n GLU 55 N 0.27 -4.05 -3.78 3.23 -0.58 -0.88 -4.95 120.64 109.90 1x5e n GLU 55 Ca 0.20 0.78 -0.13 0.00 -0.42 0.00 0.00 57.16 57.59 1x5e n GLU 55 Cb 0.89 -5.50 -0.12 0.00 -0.57 0.00 0.00 31.44 26.14 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 -3.34 -0.01 -0.10 2.62 0.11 -1.10 -4.86 120.40 113.72 1x5e s VAL 56 Ca 0.21 0.04 -0.11 0.00 -2.93 0.00 0.00 61.98 59.18 1x5e s VAL 56 Cb -0.03 -0.31 -0.05 0.00 -1.53 0.00 0.00 36.38 34.46 1x5e s VAL 56 CO 0.67 0.02 0.27 0.20 -3.33 0.00 0.00 175.10 172.92 1x5e s ASN 57 N 0.43 6.53 -0.05 3.54 0.01 -1.21 -2.26 114.94 121.92 1x5e s ASN 57 Ca -0.03 0.62 0.04 0.00 -0.71 0.00 0.00 52.86 52.79 1x5e s ASN 57 Cb -0.04 -2.16 -0.02 0.00 0.41 0.00 0.00 41.25 39.44 1x5e s ASN 57 CO -0.02 0.29 -0.16 -0.63 -1.51 0.00 0.00 177.10 175.07 1x5e s ILE 58 N -0.56 2.93 0.08 0.60 1.09 -1.26 -0.20 121.20 123.88 1x5e s ILE 58 Ca 0.18 -0.77 -0.07 0.00 -1.10 0.00 0.00 60.65 58.89 1x5e s ILE 58 Cb -0.14 -2.14 -0.01 0.00 -1.06 0.00 0.00 42.46 39.12 1x5e s ILE 58 CO 0.07 0.59 0.15 0.00 -0.10 0.00 0.00 174.94 175.64 1x5e s ALA 59 N -0.65 -0.10 0.05 9.38 0.00 0.73 -0.33 121.76 130.83 1x5e s ALA 59 Ca 0.10 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.42 1x5e s ALA 59 Cb -0.11 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.42 1x5e s ALA 59 CO 0.01 -0.47 -0.16 -1.59 0.00 0.00 0.00 175.76 173.55 1x5e s LYS 60 N -3.75 1.03 0.00 0.00 -2.85 0.42 -3.11 119.74 111.47 1x5e s LYS 60 Ca 0.04 -0.85 0.08 0.00 -1.00 0.00 0.00 55.97 54.25 1x5e s LYS 60 Cb 0.05 -1.08 -0.02 0.00 -2.06 0.00 0.00 37.83 34.72 1x5e s LYS 60 CO -0.10 0.26 -0.26 0.08 0.10 0.00 0.00 175.35 175.44 1x5e s VAL 61 N -0.91 2.04 -0.22 1.79 1.01 -1.20 -3.52 120.40 119.39 1x5e s VAL 61 Ca 0.03 -1.19 -0.07 0.00 0.00 0.00 0.00 61.98 60.74 1x5e s VAL 61 Cb -0.08 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1x5e s VAL 61 CO 0.02 0.49 0.07 -1.81 0.00 0.00 0.00 175.10 173.87 1x5e s ASP 62 N -0.83 5.33 -0.07 3.32 1.11 -1.26 -3.17 116.67 121.10 1x5e s ASP 62 Ca 0.10 -0.10 0.02 0.00 0.18 0.00 0.00 52.55 52.75 1x5e s ASP 62 Cb -0.10 -1.94 0.14 0.00 1.07 0.00 0.00 42.92 42.09 1x5e s ASP 62 CO 0.00 0.04 0.99 1.33 1.18 0.00 0.00 175.17 178.72 1x5e n VAL 63 N 4.40 1.05 0.00 -1.27 0.24 -1.22 -1.96 118.33 119.57 1x5e n VAL 63 Ca -0.16 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 1x5e n VAL 63 Cb 0.52 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 32.17 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 0.16 0.00 -0.02 3.34 -2.24 -1.26 -4.82 114.28 109.44 1x5e n THR 64 Ca 0.09 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.89 1x5e n THR 64 Cb 0.60 -0.60 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 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 -1.42 0.91 -3.74 -0.78 -0.58 -1.22 -4.77 120.64 109.04 1x5e n GLU 65 Ca 0.00 -0.09 -0.33 0.00 -0.42 0.00 0.00 57.16 56.32 1x5e n GLU 65 Cb 0.31 -1.32 -0.09 0.00 -0.57 0.00 0.00 31.44 29.76 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 -2.73 2.92 0.42 3.49 -1.52 -0.83 -4.89 119.66 116.51 1x5e s GLN 66 Ca -0.05 -3.25 0.20 0.00 -1.95 0.00 0.00 55.36 50.31 1x5e s GLN 66 Cb 0.07 -3.74 0.89 0.00 -0.22 0.00 0.00 33.01 30.01 1x5e s GLN 66 CO 0.55 -1.26 1.83 -1.00 -0.25 0.00 0.00 175.29 175.16 1x5e h PRO 67 N 5.86 0.00 0.24 2.91 0.13 -1.86 -3.24 132.00 136.03 1x5e h PRO 67 Ca 0.14 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1x5e h PRO 67 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1x5e h PRO 67 CO 0.79 0.30 -0.11 0.78 -0.23 0.00 0.00 178.00 179.53 1x5e h GLY 68 N 1.66 -0.33 -1.01 1.56 0.00 -1.96 -3.29 103.07 99.69 1x5e h GLY 68 Ca -0.00 0.12 0.42 0.00 0.00 0.00 0.00 47.33 47.87 1x5e h GLY 68 CO 0.04 -0.12 0.66 1.41 0.00 0.00 0.00 176.54 178.53 1x5e h LEU 69 N -0.78 0.32 -0.85 3.11 3.38 -1.96 1.02 115.31 119.55 1x5e h LEU 69 Ca -0.03 0.21 0.11 0.00 0.09 0.00 0.00 57.88 58.26 1x5e h LEU 69 Cb 0.25 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.12 1x5e h LEU 69 CO 0.05 -0.32 0.49 0.77 0.09 0.00 0.00 178.44 179.52 1x5e h SER 70 N 0.06 0.68 0.39 -0.43 4.64 -1.62 -1.86 113.55 115.40 1x5e h SER 70 Ca 0.83 0.06 -0.31 0.00 -0.47 0.00 0.00 61.79 61.90 1x5e h SER 70 Cb 2.32 -0.07 0.02 0.00 -0.31 0.00 0.00 62.40 64.37 1x5e h SER 70 CO -0.63 0.37 -1.36 1.23 -0.87 0.00 0.00 176.83 175.57 1x5e h GLY 71 N 0.78 0.52 2.00 -0.77 0.00 0.97 -1.32 103.07 105.25 1x5e h GLY 71 Ca 0.43 -1.27 0.00 0.00 0.00 0.00 0.00 47.33 46.48 1x5e h GLY 71 CO -0.27 1.12 0.00 0.54 0.00 0.00 0.00 176.54 177.92 1x5e n ARG 72 N -3.66 0.11 -0.00 4.80 1.74 -0.59 -1.47 116.66 117.60 1x5e n ARG 72 Ca -0.13 0.56 0.02 0.00 -0.77 0.00 0.00 57.85 57.53 1x5e n ARG 72 Cb 1.06 -1.82 -0.03 0.00 -1.02 0.00 0.00 32.46 30.64 1x5e n ARG 72 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1x5e n PHE 73 N -2.05 0.00 -3.47 -1.55 3.01 -0.75 -4.10 117.46 108.54 1x5e n PHE 73 Ca -0.00 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.27 1x5e n PHE 73 Cb 0.06 -0.05 0.07 0.00 -0.01 0.00 0.00 39.48 39.55 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 -1.37 -6.19 -2.14 4.37 -0.00 -0.53 -4.91 119.36 108.59 1x5e n ILE 74 Ca 0.00 -0.67 -0.42 0.00 -0.00 0.00 0.00 62.75 61.66 1x5e n ILE 74 Cb 0.09 -4.96 -0.03 0.00 -0.00 0.00 0.00 39.64 34.75 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 -3.44 3.54 -0.25 1.39 -1.09 -1.01 -4.91 121.20 115.43 1x5e s ILE 75 Ca 0.10 0.93 -0.12 0.00 -2.23 0.00 0.00 60.65 59.33 1x5e s ILE 75 Cb -0.02 -3.60 -0.16 0.00 -1.58 0.00 0.00 42.46 37.10 1x5e s ILE 75 CO 0.76 -0.01 -0.14 -0.46 -1.23 0.00 0.00 174.94 173.86 1x5e n ASN 76 N 5.51 1.96 -4.39 3.58 0.23 -1.26 -5.02 115.26 115.87 1x5e n ASN 76 Ca 0.14 0.25 -0.19 0.00 -0.53 0.00 0.00 54.58 54.25 1x5e n ASN 76 Cb 0.43 -0.77 -0.10 0.00 -2.08 0.00 0.00 39.78 37.25 1x5e n ASN 76 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x5e s ALA 77 N -2.48 2.07 0.02 -2.53 0.00 -1.26 -5.17 121.76 112.40 1x5e s ALA 77 Ca -0.34 -1.96 -0.06 0.00 0.00 0.00 0.00 51.96 49.59 1x5e s ALA 77 Cb 0.11 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 24.02 1x5e s ALA 77 CO 0.56 -0.36 0.10 -0.51 0.00 0.00 0.00 175.76 175.55 1x5e s LEU 78 N -3.41 1.72 1.01 0.00 1.43 -1.26 -4.27 118.68 113.90 1x5e s LEU 78 Ca 0.36 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 53.00 1x5e s LEU 78 Cb 0.08 0.58 0.20 0.00 0.03 0.00 0.00 46.19 47.07 1x5e s LEU 78 CO 0.14 -0.40 1.09 -2.16 0.23 0.00 0.00 176.35 175.26 1x5e s PRO 79 N -1.73 0.32 -0.28 1.29 0.04 -1.26 -4.92 135.00 128.46 1x5e s PRO 79 Ca -0.12 0.49 -0.00 0.00 0.04 0.00 0.00 61.00 61.40 1x5e s PRO 79 Cb -0.06 -1.73 0.17 0.00 0.04 0.00 0.00 34.50 32.92 1x5e s PRO 79 CO -0.00 -2.80 0.50 0.99 0.04 0.00 0.00 177.00 175.73 1x5e s THR 80 N -2.96 -0.83 0.12 1.26 2.01 -0.88 -4.96 115.64 109.40 1x5e s THR 80 Ca 0.66 -0.06 -0.15 0.00 0.31 0.00 0.00 61.69 62.45 1x5e s THR 80 Cb -0.19 -0.94 -0.07 0.00 0.01 0.00 0.00 72.50 71.32 1x5e s THR 80 CO 0.58 -0.07 0.54 -0.63 -0.69 0.00 0.00 174.62 174.34 1x5e s ILE 81 N 2.72 4.86 -0.04 1.82 1.01 -1.26 -1.26 121.20 129.05 1x5e s ILE 81 Ca 0.16 0.88 0.02 0.00 0.00 0.00 0.00 60.65 61.71 1x5e s ILE 81 Cb -0.14 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.58 1x5e s ILE 81 CO -0.21 0.32 -0.09 -0.31 0.00 0.00 0.00 174.94 174.65 1x5e s TYR 82 N -1.37 1.05 -0.39 3.97 2.02 0.41 -1.97 117.35 121.07 1x5e s TYR 82 Ca 0.35 -0.31 -0.16 0.00 -0.37 0.00 0.00 57.07 56.59 1x5e s TYR 82 Cb -0.16 -0.78 0.01 0.00 -0.40 0.00 0.00 41.96 40.63 1x5e s TYR 82 CO 0.19 -0.16 0.38 -1.58 -1.57 0.00 0.00 175.55 172.81 1x5e s HIS 83 N 0.43 3.20 -0.36 2.71 5.65 -0.36 -1.82 115.29 124.73 1x5e s HIS 83 Ca -0.07 -0.26 -0.09 0.00 0.25 0.00 0.00 55.06 54.88 1x5e s HIS 83 Cb -0.11 -2.75 0.03 0.00 -1.18 0.00 0.00 32.58 28.56 1x5e s HIS 83 CO 0.01 -0.57 0.17 0.00 -0.65 0.00 0.00 174.74 173.71 1x5e s LYS 85 N 1.51 1.21 -1.35 0.00 2.20 -1.13 0.29 119.74 122.46 1x5e s LYS 85 Ca 0.01 -1.27 -0.02 0.00 -0.36 0.00 0.00 55.97 54.33 1x5e s LYS 85 Cb -0.19 -2.54 0.00 0.00 -1.51 0.00 0.00 37.83 33.59 1x5e s LYS 85 CO 0.05 -0.85 0.28 -3.47 -0.36 0.00 0.00 175.35 171.00 1x5e n ASP 86 N 4.62 -5.17 0.00 1.43 2.03 -1.21 -2.66 116.55 115.58 1x5e n ASP 86 Ca -0.03 -0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.14 1x5e n ASP 86 Cb 0.43 -4.12 0.00 0.00 -0.72 0.00 0.00 41.12 36.70 1x5e n ASP 86 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x5e n GLY 87 N -1.22 3.05 3.22 0.27 0.00 -1.03 -4.95 105.19 104.53 1x5e n GLY 87 Ca -0.14 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 1x5e n GLY 87 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x5e n GLU 88 N 0.00 -0.55 -3.61 1.61 0.28 -1.09 -4.95 120.64 112.34 1x5e n GLU 88 Ca 0.00 -0.14 -0.15 0.00 -0.16 0.00 0.00 57.16 56.71 1x5e n GLU 88 Cb 0.00 -1.49 -0.13 0.00 1.43 0.00 0.00 31.44 31.24 1x5e n GLU 88 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1x5e s PHE 89 N -2.20 -0.35 -0.17 -1.84 0.08 -1.25 -2.85 117.98 109.40 1x5e s PHE 89 Ca 0.50 0.68 0.00 0.00 0.12 0.00 0.00 56.93 58.23 1x5e s PHE 89 Cb -0.13 -0.17 0.04 0.00 -0.57 0.00 0.00 43.02 42.18 1x5e s PHE 89 CO 0.70 -0.42 -0.11 1.03 -0.10 0.00 0.00 175.22 176.33 1x5e s ARG 90 N 2.37 2.02 0.55 0.44 0.52 -0.39 -1.16 118.95 123.29 1x5e s ARG 90 Ca 0.04 -0.68 -0.21 0.00 -0.52 0.00 0.00 55.73 54.35 1x5e s ARG 90 Cb -0.13 -2.23 -0.05 0.00 0.52 0.00 0.00 34.95 33.06 1x5e s ARG 90 CO -0.09 -0.36 1.29 -2.13 0.02 0.00 0.00 175.30 174.03 1x5e n ARG 91 N 4.75 1.55 -2.94 3.54 0.63 -1.26 -1.23 116.66 121.70 1x5e n ARG 91 Ca -0.15 0.57 -0.44 0.00 -0.92 0.00 0.00 57.85 56.92 1x5e n ARG 91 Cb 0.48 -2.49 -0.03 0.00 0.45 0.00 0.00 32.46 30.87 1x5e n ARG 91 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1x5e s TYR 92 N -1.32 2.99 -1.17 -0.14 6.14 -0.83 -4.86 117.35 118.17 1x5e s TYR 92 Ca 0.72 -1.11 -0.13 0.00 0.64 0.00 0.00 57.07 57.19 1x5e s TYR 92 Cb -0.42 -4.24 0.19 0.00 0.42 0.00 0.00 41.96 37.91 1x5e s TYR 92 CO 0.49 -1.50 1.34 -0.65 0.64 0.00 0.00 175.55 175.87 1x5e s GLN 93 N 3.02 4.08 0.09 4.97 -1.52 -1.26 -4.77 119.66 124.27 1x5e s GLN 93 Ca 0.27 -2.66 -0.03 0.00 -1.95 0.00 0.00 55.36 50.98 1x5e s GLN 93 Cb -0.11 -4.94 0.01 0.00 -0.22 0.00 0.00 33.01 27.75 1x5e s GLN 93 CO -0.02 -1.65 0.18 0.41 -0.25 0.00 0.00 175.29 173.95 1x5e n GLY 94 N 3.90 1.82 0.07 3.09 0.00 -1.26 -5.02 105.19 107.79 1x5e n GLY 94 Ca 0.33 -1.08 0.09 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.12 0.10 -2.98 1.61 -0.04 -1.26 -4.88 135.00 127.43 1x5e n PRO 95 Ca -0.02 0.34 -0.19 0.00 -0.04 0.00 0.00 63.50 63.60 1x5e n PRO 95 Cb 0.13 -1.69 0.04 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.87 -4.51 -3.96 0.54 1.74 -1.26 -5.01 116.66 102.33 1x5e n ARG 96 Ca 0.03 0.74 -0.21 0.00 -0.77 0.00 0.00 57.85 57.64 1x5e n ARG 96 Cb 0.20 -5.28 -0.02 0.00 -1.02 0.00 0.00 32.46 26.33 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 -3.10 4.92 0.02 0.55 -4.23 -1.26 -4.89 115.64 107.64 1x5e s THR 97 Ca 0.29 -1.10 -0.09 0.00 -1.18 0.00 0.00 61.69 59.61 1x5e s THR 97 Cb -0.13 -3.69 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 1x5e s THR 97 CO 0.36 -0.32 1.13 0.50 -0.54 0.00 0.00 174.62 175.76 1x5e h LYS 98 N 1.23 -0.26 -0.99 3.99 3.64 -1.95 -0.29 116.57 121.94 1x5e h LYS 98 Ca -0.50 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.02 1x5e h LYS 98 Cb 1.23 0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 32.97 1x5e h LYS 98 CO 0.60 -0.17 -0.48 1.17 -2.27 0.00 0.00 179.45 178.30 1x5e n LYS 99 N -2.99 -0.33 0.08 1.90 0.00 -1.26 -0.84 118.16 114.71 1x5e n LYS 99 Ca -0.03 1.52 -0.14 0.00 0.00 0.00 0.00 58.31 59.65 1x5e n LYS 99 Cb 0.12 -2.24 -0.07 0.00 0.00 0.00 0.00 35.03 32.83 1x5e n LYS 99 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1x5e h ASP 100 N 0.00 -1.33 -0.87 3.14 3.58 -1.96 -2.68 116.42 116.29 1x5e h ASP 100 Ca 0.26 0.16 0.08 0.00 0.42 0.00 0.00 57.03 57.94 1x5e h ASP 100 Cb 0.50 0.51 -0.11 0.00 1.72 0.00 0.00 39.33 41.96 1x5e h ASP 100 CO -0.96 -0.48 -0.50 0.49 -2.88 0.00 0.00 179.24 174.90 1x5e n PHE 101 N -5.46 -0.35 -0.09 0.28 3.72 -0.02 -1.28 117.46 114.26 1x5e n PHE 101 Ca -0.06 1.09 -0.02 0.00 -0.05 0.00 0.00 57.45 58.40 1x5e n PHE 101 Cb 0.38 -0.59 -0.02 0.00 -0.94 0.00 0.00 39.48 38.31 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 -5.11 -0.15 -0.14 4.37 -0.00 -0.93 0.28 119.36 117.68 1x5e n ILE 102 Ca 0.02 1.21 -0.05 0.00 -0.00 0.00 0.00 62.75 63.93 1x5e n ILE 102 Cb 0.24 -1.56 0.01 0.00 -0.00 0.00 0.00 39.64 38.33 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 -0.82 -0.62 4.38 2.35 -1.25 0.49 115.58 120.11 1x5e h ASN 103 Ca 0.03 0.18 0.18 0.00 -0.55 0.00 0.00 56.30 56.14 1x5e h ASN 103 Cb 0.09 0.43 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 1x5e h ASN 103 CO -0.21 -0.26 0.80 0.15 -1.65 0.00 0.00 177.43 176.26 1x5e h PHE 104 N -0.14 0.00 0.00 1.19 3.57 0.28 1.23 116.94 123.07 1x5e h PHE 104 Ca 0.22 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 1x5e h PHE 104 Cb 0.48 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1x5e h PHE 104 CO -0.50 0.00 -0.92 -0.89 -2.23 0.00 0.00 178.31 173.77 1x5e n ILE 105 N -3.37 1.47 0.18 1.41 2.08 0.15 -3.12 119.36 118.15 1x5e n ILE 105 Ca 0.13 0.12 -0.13 0.00 0.56 0.00 0.00 62.75 63.43 1x5e n ILE 105 Cb 1.01 -2.31 -0.08 0.00 -0.75 0.00 0.00 39.64 37.51 1x5e n ILE 105 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1x5e h SER 106 N -1.00 -0.40 0.78 4.38 0.02 -0.11 -3.00 113.55 114.22 1x5e h SER 106 Ca -0.07 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1x5e h SER 106 Cb 0.86 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1x5e h SER 106 CO -0.05 -0.02 0.00 0.44 -1.14 0.00 0.00 176.83 176.07 1x5e h ASP 107 N -0.83 0.00 -5.96 3.07 5.19 0.13 -3.47 116.42 114.56 1x5e h ASP 107 Ca -0.05 0.00 -0.39 0.00 -0.62 0.00 0.00 57.03 55.97 1x5e h ASP 107 Cb 0.53 0.00 0.09 0.00 0.18 0.00 0.00 39.33 40.12 1x5e h ASP 107 CO 0.08 0.00 -0.80 0.29 -3.12 0.00 0.00 179.24 175.69 1x5e n LYS 108 N -2.30 -5.58 -0.23 3.56 5.02 -0.62 -4.86 118.16 113.15 1x5e n LYS 108 Ca 0.02 0.70 0.11 0.00 -2.02 0.00 0.00 58.31 57.12 1x5e n LYS 108 Cb 0.24 -5.43 0.39 0.00 -0.02 0.00 0.00 35.03 30.21 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 -1.92 0.64 -1.22 1.97 5.08 -1.67 -1.94 114.58 115.52 1x5e h GLU 109 Ca -0.60 -0.04 0.42 0.00 -1.00 0.00 0.00 59.36 58.14 1x5e h GLU 109 Cb 1.35 -0.14 -0.12 0.00 0.50 0.00 0.00 28.75 30.34 1x5e h GLU 109 CO 0.55 0.42 0.79 -2.67 -1.00 0.00 0.00 179.01 177.10 1x5e n TRP 110 N -4.52 0.62 -0.21 4.33 4.27 -1.26 0.97 117.44 121.64 1x5e n TRP 110 Ca 0.15 0.63 0.01 0.00 -3.89 0.00 0.00 57.50 54.40 1x5e n TRP 110 Cb 0.41 -1.05 0.10 0.00 -1.36 0.00 0.00 31.31 29.42 1x5e n TRP 110 CO 0.00 0.00 0.00 0.87 -2.29 0.00 0.00 177.69 176.27 1x5e h LYS 111 N 0.00 0.11 -0.18 -2.67 1.79 -1.71 0.28 116.57 114.19 1x5e h LYS 111 Ca 0.78 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 59.24 1x5e h LYS 111 Cb 2.52 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 33.13 1x5e h LYS 111 CO -0.41 0.07 0.07 1.03 -1.08 0.00 0.00 179.45 179.13 1x5e h SER 112 N 0.11 0.21 -3.56 0.86 0.87 0.38 -3.42 113.55 109.02 1x5e h SER 112 Ca 0.33 -0.01 -0.52 0.00 -1.23 0.00 0.00 61.79 60.35 1x5e h SER 112 Cb 0.53 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 1x5e h SER 112 CO -0.54 0.20 0.22 -0.63 -0.53 0.00 0.00 176.83 175.55 1x5e s ILE 113 N -5.15 4.36 0.27 2.23 1.01 1.00 -5.05 121.20 119.87 1x5e s ILE 113 Ca -0.06 1.79 -0.23 0.00 0.00 0.00 0.00 60.65 62.15 1x5e s ILE 113 Cb 0.17 -4.18 -0.09 0.00 0.01 0.00 0.00 42.46 38.36 1x5e s ILE 113 CO 0.70 0.49 0.83 -1.61 0.00 0.00 0.00 174.94 175.35 1x5e s GLU 114 N -0.95 4.41 0.73 2.79 2.02 -1.26 -4.92 118.70 121.51 1x5e s GLU 114 Ca 0.38 1.09 -0.12 0.00 0.02 0.00 0.00 54.97 56.33 1x5e s GLU 114 Cb -0.23 -2.83 0.03 0.00 0.10 0.00 0.00 34.13 31.20 1x5e s GLU 114 CO 0.27 0.33 1.10 -1.25 0.02 0.00 0.00 175.26 175.73 1x5e s PRO 115 N -2.03 2.47 1.02 0.39 0.04 -1.26 -4.53 135.00 131.09 1x5e s PRO 115 Ca 0.47 1.26 -0.14 0.00 0.04 0.00 0.00 61.00 62.63 1x5e s PRO 115 Cb -0.17 -1.92 0.20 0.00 0.04 0.00 0.00 34.50 32.64 1x5e s PRO 115 CO 0.22 -1.49 1.11 0.14 0.04 0.00 0.00 177.00 177.03 1x5e s VAL 116 N -2.68 1.94 0.11 -0.36 -7.23 -0.31 -4.95 120.40 106.92 1x5e s VAL 116 Ca 0.63 0.00 -0.25 0.00 -1.81 0.00 0.00 61.98 60.56 1x5e s VAL 116 Cb -0.18 -2.57 -0.07 0.00 0.56 0.00 0.00 36.38 34.11 1x5e s VAL 116 CO 0.50 0.00 1.42 0.28 -0.31 0.00 0.00 175.10 176.99 1x5e h SER 117 N -1.92 -1.51 -2.29 4.85 0.02 -1.96 -3.47 113.55 107.27 1x5e h SER 117 Ca -0.52 0.21 0.28 0.00 -0.84 0.00 0.00 61.79 60.92 1x5e h SER 117 Cb 1.32 0.64 -0.05 0.00 0.14 0.00 0.00 62.40 64.45 1x5e h SER 117 CO 0.55 -0.26 0.80 -1.54 -1.14 0.00 0.00 176.83 175.23 1x5e n SER 118 N -4.74 -1.39 -4.31 3.07 3.41 -1.26 -5.11 113.62 103.29 1x5e n SER 118 Ca -0.01 -1.48 -0.46 0.00 -0.26 0.00 0.00 58.87 56.66 1x5e n SER 118 Cb 0.24 2.20 -0.04 0.00 -0.26 0.00 0.00 64.21 66.35 1x5e n SER 118 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1x5e s TRP 119 N -2.04 3.48 -0.50 7.33 -0.11 -1.26 -5.03 118.94 120.82 1x5e s TRP 119 Ca 0.28 -1.63 -0.24 0.00 1.22 0.00 0.00 56.10 55.73 1x5e s TRP 119 Cb -0.01 -3.80 0.03 0.00 -1.50 0.00 0.00 33.47 28.19 1x5e s TRP 119 CO 0.01 -1.00 0.87 0.12 -4.62 0.00 0.00 176.95 172.33 1x5e s PHE 120 N 0.94 2.89 0.15 5.86 5.36 -1.26 -5.01 117.98 126.91 1x5e s PHE 120 Ca 0.10 0.08 -0.00 0.00 -0.96 0.00 0.00 56.93 56.15 1x5e s PHE 120 Cb -0.21 -3.89 -0.04 0.00 -0.34 0.00 0.00 43.02 38.53 1x5e s PHE 120 CO -0.02 -1.17 0.05 -1.54 -1.46 0.00 0.00 175.22 171.07 1x5e s SER 121 N 2.50 0.51 0.57 6.13 1.04 -1.26 -4.34 113.70 118.85 1x5e s SER 121 Ca 0.31 -1.22 -0.01 0.00 0.48 0.00 0.00 55.95 55.51 1x5e s SER 121 Cb -0.12 0.26 0.05 0.00 0.10 0.00 0.00 66.02 66.31 1x5e s SER 121 CO 0.21 -0.70 0.35 0.61 0.98 0.00 0.00 173.24 174.69 1x5e n GLY 122 N -0.14 0.47 0.13 7.32 0.00 -1.26 -5.03 105.19 106.68 1x5e n GLY 122 Ca -0.05 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 43.90 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 0.35 -3.21 1.61 0.13 -2.03 -3.48 132.00 125.37 1x5e h PRO 123 Ca -0.12 -0.18 -0.17 0.00 -0.87 0.00 0.00 66.00 64.66 1x5e h PRO 123 Cb 0.41 0.01 0.06 0.00 0.13 0.00 0.00 31.00 31.61 1x5e h PRO 123 CO 0.12 0.74 -0.31 0.45 -0.23 0.00 0.00 178.00 178.77 1x5e n SER 124 N -4.56 -3.62 -4.36 1.44 2.88 -1.26 -5.05 113.62 99.09 1x5e n SER 124 Ca -0.06 -0.24 -0.24 0.00 -1.33 0.00 0.00 58.87 56.99 1x5e n SER 124 Cb 0.36 -2.50 -0.12 0.00 -0.75 0.00 0.00 64.21 61.20 1x5e n SER 124 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x5e s SER 125 N -3.22 2.94 0.00 -3.46 1.04 -1.26 -5.15 113.70 104.59 1x5e s SER 125 Ca 0.22 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1x5e s SER 125 Cb -0.10 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.84 1x5e s SER 125 CO 0.32 0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.20