#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 6.78 -0.06 1.61 0.01 -1.26 -5.01 113.70 115.78 1x5e s SER 2 Ca 0.00 0.76 -0.01 0.00 1.31 0.00 0.00 55.95 58.01 1x5e s SER 2 Cb 0.00 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.73 1x5e s SER 2 CO 0.00 -1.01 -0.01 -0.94 0.41 0.00 0.00 173.24 171.69 1x5e s SER 3 N 1.97 1.30 0.00 2.44 1.04 -1.26 -4.94 113.70 114.26 1x5e s SER 3 Ca 0.45 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.79 1x5e s SER 3 Cb -0.10 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.59 1x5e s SER 3 CO 0.22 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1x5e n GLY 4 N 4.76 0.37 3.27 7.32 0.00 -1.26 -5.05 105.19 114.59 1x5e n GLY 4 Ca -0.14 -0.18 -0.59 0.00 0.00 0.00 0.00 46.02 45.12 1x5e n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5e n SER 5 N 0.00 0.80 -2.52 1.61 3.41 -1.26 -4.80 113.62 110.86 1x5e n SER 5 Ca 0.00 0.65 -0.33 0.00 -0.26 0.00 0.00 58.87 58.93 1x5e n SER 5 Cb 0.00 -0.92 0.04 0.00 -0.26 0.00 0.00 64.21 63.07 1x5e n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x5e n SER 6 N 7.69 6.55 0.00 4.04 7.64 -1.26 -4.99 113.62 133.29 1x5e n SER 6 Ca 0.55 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.64 1x5e n SER 6 Cb -0.03 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 1x5e n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5e n GLY 7 N -0.66 1.94 0.34 0.23 0.00 -1.26 -4.85 105.19 100.92 1x5e n GLY 7 Ca 0.52 -1.49 0.01 0.00 0.00 0.00 0.00 46.02 45.05 1x5e n GLY 7 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1x5e h ASN 8 N 0.00 0.77 -3.73 1.61 7.08 -1.94 -3.42 115.58 115.96 1x5e h ASN 8 Ca 0.00 -0.03 -0.50 0.00 -3.08 0.00 0.00 56.30 52.69 1x5e h ASN 8 Cb 0.00 -0.19 -0.01 0.00 -2.08 0.00 0.00 38.32 36.03 1x5e h ASN 8 CO 0.00 0.58 0.38 -0.69 -2.08 0.00 0.00 177.43 175.62 1x5e s VAL 9 N -5.72 4.02 0.04 6.14 1.01 -1.26 -4.60 120.40 120.02 1x5e s VAL 9 Ca -0.10 1.96 0.00 0.00 0.00 0.00 0.00 61.98 63.84 1x5e s VAL 9 Cb 0.17 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1x5e s VAL 9 CO 0.77 0.44 0.14 -0.13 0.00 0.00 0.00 175.10 176.33 1x5e s ARG 10 N -1.03 3.22 -0.43 2.72 1.81 0.10 -4.92 118.95 120.42 1x5e s ARG 10 Ca 0.43 -0.49 -0.11 0.00 -1.72 0.00 0.00 55.73 53.84 1x5e s ARG 10 Cb -0.27 -2.93 0.07 0.00 -0.45 0.00 0.00 34.95 31.37 1x5e s ARG 10 CO 0.33 0.62 0.28 0.08 -0.68 0.00 0.00 175.30 175.94 1x5e s VAL 11 N -1.37 4.46 0.03 3.52 1.01 -1.26 0.01 120.40 126.80 1x5e s VAL 11 Ca 0.29 -1.29 -0.23 0.00 0.00 0.00 0.00 61.98 60.76 1x5e s VAL 11 Cb -0.12 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 1x5e s VAL 11 CO 0.21 -0.50 0.69 -0.63 0.00 0.00 0.00 175.10 174.87 1x5e s ILE 12 N 1.48 4.79 0.24 2.22 -1.09 -1.25 -4.97 121.20 122.63 1x5e s ILE 12 Ca 0.03 1.45 0.01 0.00 -2.23 0.00 0.00 60.65 59.91 1x5e s ILE 12 Cb -0.23 -4.03 0.01 0.00 -1.58 0.00 0.00 42.46 36.63 1x5e s ILE 12 CO 0.03 0.40 0.07 0.35 -1.23 0.00 0.00 174.94 174.56 1x5e n THR 13 N 2.69 0.00 0.46 2.92 -2.24 -1.26 -4.77 114.28 112.08 1x5e n THR 13 Ca -0.05 -1.07 0.04 0.00 -2.27 0.00 0.00 64.05 60.71 1x5e n THR 13 Cb 0.50 0.04 0.23 0.00 -2.10 0.00 0.00 70.33 69.01 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 -1.42 0.00 -0.03 3.42 5.68 -1.26 -2.60 116.55 120.34 1x5e n ASP 14 Ca -0.07 -0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.18 1x5e n ASP 14 Cb 0.29 -0.18 -0.02 0.00 -1.14 0.00 0.00 41.12 40.07 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 -1.18 0.12 0.24 0.11 1.02 -1.26 -4.62 120.64 115.06 1x5e n GLU 15 Ca 0.05 0.04 0.18 0.00 -0.02 0.00 0.00 57.16 57.41 1x5e n GLU 15 Cb 0.05 -0.92 0.87 0.00 -0.02 0.00 0.00 31.44 31.43 1x5e n GLU 15 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1x5e h ASN 16 N -0.08 0.00 -0.87 1.62 -0.73 -1.89 -2.86 115.58 110.77 1x5e h ASN 16 Ca -0.12 0.00 0.15 0.00 1.87 0.00 0.00 56.30 58.20 1x5e h ASN 16 Cb 1.15 0.00 -0.15 0.00 0.27 0.00 0.00 38.32 39.59 1x5e h ASN 16 CO -0.04 0.00 -0.30 -2.67 -0.37 0.00 0.00 177.43 174.04 1x5e n TRP 17 N -3.51 0.11 -0.30 0.67 4.27 -1.07 0.65 117.44 118.25 1x5e n TRP 17 Ca 0.01 1.07 0.12 0.00 -3.89 0.00 0.00 57.50 54.81 1x5e n TRP 17 Cb 0.34 -0.88 0.24 0.00 -1.36 0.00 0.00 31.31 29.65 1x5e n TRP 17 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1x5e n ARG 18 N -5.32 -0.07 -0.31 -2.67 1.74 -1.08 0.19 116.66 109.15 1x5e n ARG 18 Ca 0.10 1.31 0.09 0.00 -0.77 0.00 0.00 57.85 58.58 1x5e n ARG 18 Cb 0.37 -2.07 0.25 0.00 -1.02 0.00 0.00 32.46 30.00 1x5e n ARG 18 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1x5e h GLU 19 N 0.00 0.59 0.00 5.56 4.39 -0.03 0.40 114.58 125.49 1x5e h GLU 19 Ca 0.52 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.18 1x5e h GLU 19 Cb 1.04 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1x5e h GLU 19 CO -0.83 0.39 0.28 -0.07 -1.16 0.00 0.00 179.01 177.62 1x5e h LEU 20 N 0.61 0.00 -2.25 1.33 3.38 0.20 0.28 115.31 118.87 1x5e h LEU 20 Ca 0.50 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.42 1x5e h LEU 20 Cb 0.76 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1x5e h LEU 20 CO -0.39 0.00 0.06 0.18 0.09 0.00 0.00 178.44 178.38 1x5e n LEU 21 N -2.34 3.36 -3.73 1.67 4.77 0.14 -4.35 117.00 116.51 1x5e n LEU 21 Ca -0.01 -1.71 -0.12 0.00 -0.03 0.00 0.00 56.01 54.13 1x5e n LEU 21 Cb 0.31 -0.59 -0.13 0.00 -2.33 0.00 0.00 43.42 40.68 1x5e n LEU 21 CO 0.09 0.48 -0.10 -1.61 -1.33 0.00 0.00 177.39 174.92 1x5e s GLU 22 N -1.66 0.23 0.31 3.23 2.02 0.99 -3.61 118.70 120.22 1x5e s GLU 22 Ca 0.23 0.54 0.00 0.00 0.02 0.00 0.00 54.97 55.76 1x5e s GLU 22 Cb 0.18 -0.09 0.00 0.00 0.10 0.00 0.00 34.13 34.32 1x5e s GLU 22 CO 0.06 -0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.60 1x5e n GLY 23 N 4.12 -1.72 3.77 -1.39 0.00 -1.26 -4.74 105.19 103.98 1x5e n GLY 23 Ca -0.24 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.46 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 -6.23 6.65 -0.14 1.61 1.01 -1.26 -3.42 116.67 114.89 1x5e s ASP 24 Ca 0.00 2.34 -0.06 0.00 0.71 0.00 0.00 52.55 55.54 1x5e s ASP 24 Cb 0.00 -2.62 0.06 0.00 1.01 0.00 0.00 42.92 41.38 1x5e s ASP 24 CO 0.00 -0.58 0.32 0.26 0.21 0.00 0.00 175.17 175.38 1x5e s TRP 25 N -1.38 -0.51 -0.38 4.23 0.52 0.79 -3.60 118.94 118.62 1x5e s TRP 25 Ca 0.55 1.09 -0.12 0.00 0.02 0.00 0.00 56.10 57.64 1x5e s TRP 25 Cb -0.31 0.12 0.03 0.00 -1.15 0.00 0.00 33.47 32.16 1x5e s TRP 25 CO 0.39 -0.34 0.22 -1.64 0.02 0.00 0.00 176.95 175.60 1x5e s MET 26 N 1.89 2.84 0.09 4.98 -1.94 0.88 -0.44 119.30 127.61 1x5e s MET 26 Ca -0.05 -1.07 0.06 0.00 -1.71 0.00 0.00 55.69 52.92 1x5e s MET 26 Cb -0.11 -3.77 -0.04 0.00 2.01 0.00 0.00 34.83 32.92 1x5e s MET 26 CO -0.10 -0.71 -0.05 0.42 -0.01 0.00 0.00 175.02 174.57 1x5e s ILE 27 N 1.57 3.70 -0.22 2.53 1.01 -0.32 -0.25 121.20 129.21 1x5e s ILE 27 Ca 0.02 -1.11 -0.04 0.00 0.00 0.00 0.00 60.65 59.53 1x5e s ILE 27 Cb -0.19 -2.74 0.09 0.00 0.01 0.00 0.00 42.46 39.63 1x5e s ILE 27 CO 0.07 0.13 0.19 -1.83 0.00 0.00 0.00 174.94 173.50 1x5e s GLU 28 N -2.21 0.18 -0.31 2.79 4.04 -1.17 -0.01 118.70 122.01 1x5e s GLU 28 Ca 0.23 -0.04 -0.29 0.00 0.04 0.00 0.00 54.97 54.92 1x5e s GLU 28 Cb -0.11 -1.26 -0.01 0.00 0.02 0.00 0.00 34.13 32.77 1x5e s GLU 28 CO 0.16 -0.78 1.51 -0.06 -1.84 0.00 0.00 175.26 174.25 1x5e s PHE 29 N 2.25 2.29 0.39 4.83 0.40 0.15 -3.25 117.98 125.04 1x5e s PHE 29 Ca 0.07 0.67 0.05 0.00 -0.60 0.00 0.00 56.93 57.12 1x5e s PHE 29 Cb -0.16 -4.07 -0.07 0.00 0.51 0.00 0.00 43.02 39.23 1x5e s PHE 29 CO -0.19 -2.38 0.03 1.52 0.70 0.00 0.00 175.22 174.91 1x5e s TYR 30 N 5.30 2.25 -0.05 0.36 -0.85 -1.11 -2.59 117.35 120.66 1x5e s TYR 30 Ca 0.66 -0.82 -0.04 0.00 -0.52 0.00 0.00 57.07 56.36 1x5e s TYR 30 Cb -0.19 -1.58 0.02 0.00 0.38 0.00 0.00 41.96 40.59 1x5e s TYR 30 CO 0.29 0.25 0.12 0.00 -1.52 0.00 0.00 175.55 174.69 1x5e s ALA 31 N -2.94 -0.27 -1.45 9.51 0.00 -1.26 -3.28 121.76 122.07 1x5e s ALA 31 Ca 0.32 0.38 0.15 0.00 0.00 0.00 0.00 51.96 52.81 1x5e s ALA 31 Cb 0.09 -0.23 0.76 0.00 0.00 0.00 0.00 23.12 23.73 1x5e s ALA 31 CO 0.16 -0.07 1.41 -0.35 0.00 0.00 0.00 175.76 176.90 1x5e n PRO 32 N 3.24 0.22 -0.16 0.00 -0.04 -1.26 -2.11 135.00 134.89 1x5e n PRO 32 Ca -0.15 0.14 0.09 0.00 -0.04 0.00 0.00 63.50 63.54 1x5e n PRO 32 Cb 0.58 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.28 0.13 -4.92 0.54 4.27 -1.26 -5.00 117.44 109.92 1x5e n TRP 33 Ca 0.07 -1.03 -0.33 0.00 -3.89 0.00 0.00 57.50 52.33 1x5e n TRP 33 Cb 0.12 -0.18 -0.15 0.00 -1.36 0.00 0.00 31.31 29.74 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 6.23 0.58 -0.82 0.00 0.13 -1.95 -3.12 132.00 133.05 1x5e h PRO 35 Ca -0.32 -0.31 0.10 0.00 -0.87 0.00 0.00 66.00 64.60 1x5e h PRO 35 Cb 1.19 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 1x5e h PRO 35 CO 0.52 0.90 0.47 0.00 -0.23 0.00 0.00 178.00 179.66 1x5e h ALA 36 N 0.67 1.17 -0.64 -0.56 0.00 -1.95 -0.99 119.26 116.95 1x5e h ALA 36 Ca 0.04 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1x5e h ALA 36 Cb 0.79 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1x5e h ALA 36 CO 0.06 0.09 0.33 0.00 0.00 0.00 0.00 179.25 179.73 1x5e h GLN 38 N 0.90 0.00 0.00 0.00 1.08 -1.12 0.31 115.11 116.29 1x5e h GLN 38 Ca 0.23 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 57.08 1x5e h GLN 38 Cb 0.06 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.42 1x5e h GLN 38 CO -0.03 0.00 -2.17 0.09 -0.95 0.00 0.00 178.83 175.76 1x5e n ASN 39 N -2.74 0.48 0.08 1.46 3.02 -0.52 -4.31 115.26 112.73 1x5e n ASN 39 Ca -0.02 0.13 -0.08 0.00 -0.03 0.00 0.00 54.58 54.57 1x5e n ASN 39 Cb 0.21 0.51 -0.09 0.00 -0.61 0.00 0.00 39.78 39.79 1x5e n ASN 39 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1x5e h LEU 40 N 0.00 0.10 -0.84 3.41 5.85 -0.67 -3.31 115.31 119.85 1x5e h LEU 40 Ca -0.47 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.26 1x5e h LEU 40 Cb 2.15 -0.03 -0.12 0.00 0.37 0.00 0.00 40.66 43.03 1x5e h LEU 40 CO 0.04 1.04 -0.41 0.00 -0.34 0.00 0.00 178.44 178.76 1x5e n GLN 41 N -3.44 -0.29 -0.06 1.25 1.13 0.89 0.02 117.38 116.89 1x5e n GLN 41 Ca -0.02 1.28 -0.13 0.00 -1.94 0.00 0.00 57.00 56.19 1x5e n GLN 41 Cb 0.92 -1.89 -0.06 0.00 0.11 0.00 0.00 30.24 29.32 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 0.44 -0.93 -1.09 0.13 -1.83 -2.92 132.00 125.80 1x5e h PRO 42 Ca 0.21 -0.23 0.18 0.00 -0.87 0.00 0.00 66.00 65.29 1x5e h PRO 42 Cb 0.42 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.48 1x5e h PRO 42 CO -0.81 0.79 0.60 0.93 -0.23 0.00 0.00 178.00 179.28 1x5e h GLU 43 N 0.10 0.57 0.47 0.86 3.07 -0.97 -1.79 114.58 116.89 1x5e h GLU 43 Ca 0.03 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 1x5e h GLU 43 Cb 0.71 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1x5e h GLU 43 CO 0.04 0.38 -0.23 2.35 -1.40 0.00 0.00 179.01 180.15 1x5e h TRP 44 N 0.59 -0.59 -0.92 4.33 -0.00 -0.36 -2.68 115.95 116.32 1x5e h TRP 44 Ca 0.49 -0.01 0.24 0.00 -0.00 0.00 0.00 58.89 59.61 1x5e h TRP 44 Cb 0.97 0.19 -0.17 0.00 -0.00 0.00 0.00 29.16 30.15 1x5e h TRP 44 CO -0.00 -0.36 0.04 0.93 -0.00 0.00 0.00 178.44 179.04 1x5e h GLU 45 N -1.05 0.05 -0.15 2.65 5.08 -1.28 1.42 114.58 121.30 1x5e h GLU 45 Ca -0.06 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1x5e h GLU 45 Cb 0.48 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1x5e h GLU 45 CO 0.11 0.03 -0.06 0.77 -1.00 0.00 0.00 179.01 178.86 1x5e h SER 46 N 0.05 0.21 0.14 1.42 0.02 -1.38 -2.98 113.55 111.04 1x5e h SER 46 Ca 0.55 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.46 1x5e h SER 46 Cb 1.09 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1x5e h SER 46 CO -0.83 0.31 -0.07 0.15 -1.14 0.00 0.00 176.83 175.25 1x5e h PHE 47 N 0.22 -0.18 0.00 3.45 3.57 0.22 -3.07 116.94 121.16 1x5e h PHE 47 Ca 0.05 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1x5e h PHE 47 Cb 0.27 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.06 1x5e h PHE 47 CO 0.00 0.28 0.40 0.00 -2.23 0.00 0.00 178.31 176.77 1x5e h ALA 48 N -0.13 1.36 0.56 2.41 0.00 -0.90 -1.33 119.26 121.23 1x5e h ALA 48 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1x5e h ALA 48 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1x5e h ALA 48 CO 0.03 -0.36 -0.35 0.93 0.00 0.00 0.00 179.25 179.50 1x5e h GLU 49 N 0.00 -0.83 -0.02 0.00 5.08 -1.42 -2.92 114.58 114.47 1x5e h GLU 49 Ca 0.00 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1x5e h GLU 49 Cb 0.80 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1x5e h GLU 49 CO 0.00 -0.55 -0.03 -2.67 -1.00 0.00 0.00 179.01 174.76 1x5e n TRP 50 N -5.49 0.00 0.00 4.33 4.27 -0.65 -4.55 117.44 115.36 1x5e n TRP 50 Ca -0.12 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.49 1x5e n TRP 50 Cb 0.38 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 30.32 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 1.25 -2.93 0.36 -1.67 0.00 -0.60 -1.18 105.19 100.42 1x5e n GLY 51 Ca 0.17 0.34 0.18 0.00 0.00 0.00 0.00 46.02 46.71 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 -0.28 1.61 9.09 -1.67 0.12 114.58 123.45 1x5e h GLU 52 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.32 1x5e h GLU 52 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 1x5e h GLU 52 CO 0.00 0.00 -0.19 -0.44 0.05 0.00 0.00 179.01 178.43 1x5e h ASP 53 N 0.00 0.51 -0.41 3.06 5.19 -1.46 -2.17 116.42 121.13 1x5e h ASP 53 Ca 0.12 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1x5e h ASP 53 Cb 0.76 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.13 1x5e h ASP 53 CO -0.00 0.71 0.00 0.18 -3.12 0.00 0.00 179.24 177.00 1x5e n LEU 54 N -4.16 2.25 -2.34 1.55 4.77 0.42 -4.92 117.00 114.56 1x5e n LEU 54 Ca 0.00 -1.12 -0.08 0.00 -0.03 0.00 0.00 56.01 54.77 1x5e n LEU 54 Cb 0.37 -0.28 0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1x5e n LEU 54 CO 0.41 0.55 0.04 1.21 -1.33 0.00 0.00 177.39 178.27 1x5e n GLU 55 N 0.70 -2.33 -3.76 3.23 2.13 -0.81 -4.95 120.64 114.85 1x5e n GLU 55 Ca 0.14 0.45 -0.13 0.00 0.66 0.00 0.00 57.16 58.28 1x5e n GLU 55 Cb 0.36 -4.02 -0.10 0.00 0.27 0.00 0.00 31.44 27.95 1x5e n GLU 55 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1x5e s VAL 56 N -3.20 0.01 -0.13 6.31 0.11 -1.11 -4.90 120.40 117.50 1x5e s VAL 56 Ca 0.12 -0.08 -0.10 0.00 -2.93 0.00 0.00 61.98 58.99 1x5e s VAL 56 Cb -0.02 -0.51 -0.05 0.00 -1.53 0.00 0.00 36.38 34.28 1x5e s VAL 56 CO 0.38 -0.05 0.19 0.20 -3.33 0.00 0.00 175.10 172.50 1x5e s ASN 57 N -0.08 6.40 -0.07 3.54 0.01 -1.24 -2.74 114.94 120.77 1x5e s ASN 57 Ca -0.02 0.48 0.04 0.00 -0.71 0.00 0.00 52.86 52.64 1x5e s ASN 57 Cb -0.03 -2.11 -0.02 0.00 0.41 0.00 0.00 41.25 39.50 1x5e s ASN 57 CO 0.01 0.30 -0.17 -0.63 -1.51 0.00 0.00 177.10 175.10 1x5e s ILE 58 N -0.49 2.76 0.01 0.60 1.09 -1.26 -0.09 121.20 123.83 1x5e s ILE 58 Ca 0.15 -0.81 -0.05 0.00 -1.10 0.00 0.00 60.65 58.83 1x5e s ILE 58 Cb -0.12 -2.08 -0.01 0.00 -1.06 0.00 0.00 42.46 39.19 1x5e s ILE 58 CO 0.04 0.57 0.09 0.00 -0.10 0.00 0.00 174.94 175.54 1x5e s ALA 59 N -0.35 -0.18 -0.09 9.38 0.00 0.65 0.01 121.76 131.18 1x5e s ALA 59 Ca 0.03 -0.30 0.04 0.00 0.00 0.00 0.00 51.96 51.73 1x5e s ALA 59 Cb -0.12 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 1x5e s ALA 59 CO 0.02 -0.21 -0.20 -1.59 0.00 0.00 0.00 175.76 173.78 1x5e s LYS 60 N -1.54 2.90 0.16 0.00 -2.85 0.10 -3.06 119.74 115.44 1x5e s LYS 60 Ca -0.14 -0.81 0.07 0.00 -1.00 0.00 0.00 55.97 54.08 1x5e s LYS 60 Cb -0.08 -2.35 -0.04 0.00 -2.06 0.00 0.00 37.83 33.30 1x5e s LYS 60 CO 0.00 0.31 -0.00 0.08 0.10 0.00 0.00 175.35 175.84 1x5e s VAL 61 N 0.03 3.75 -0.10 1.79 1.01 -1.20 -3.74 120.40 121.94 1x5e s VAL 61 Ca -0.08 -1.34 0.01 0.00 0.00 0.00 0.00 61.98 60.57 1x5e s VAL 61 Cb -0.15 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 1x5e s VAL 61 CO 0.05 -0.06 -0.14 -1.81 0.00 0.00 0.00 175.10 173.14 1x5e s ASP 62 N -2.80 3.93 0.00 3.32 1.01 -1.26 -2.75 116.67 118.12 1x5e s ASP 62 Ca 0.27 -0.31 0.28 0.00 0.71 0.00 0.00 52.55 53.49 1x5e s ASP 62 Cb -0.10 -1.36 1.01 0.00 1.01 0.00 0.00 42.92 43.48 1x5e s ASP 62 CO 0.18 0.22 1.72 1.33 0.21 0.00 0.00 175.17 178.83 1x5e n VAL 63 N 3.17 0.00 -0.04 -1.27 0.24 -1.21 -2.28 118.33 116.94 1x5e n VAL 63 Ca -0.18 -0.13 -0.05 0.00 -2.04 0.00 0.00 64.34 61.94 1x5e n VAL 63 Cb 0.53 0.24 -0.05 0.00 -1.47 0.00 0.00 33.84 33.08 1x5e n VAL 63 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1x5e n THR 64 N -0.57 0.52 0.02 3.34 5.66 -1.26 -4.66 114.28 117.34 1x5e n THR 64 Ca 0.15 -0.26 -0.06 0.00 -3.05 0.00 0.00 64.05 60.83 1x5e n THR 64 Cb 0.32 -0.82 -0.11 0.00 -1.55 0.00 0.00 70.33 68.17 1x5e n THR 64 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1x5e h GLU 65 N 0.00 0.00 -3.41 1.09 5.08 -1.97 -3.41 114.58 111.96 1x5e h GLU 65 Ca -0.21 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.46 1x5e h GLU 65 Cb 1.39 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.28 1x5e h GLU 65 CO -0.01 0.58 -0.25 -0.65 -1.00 0.00 0.00 179.01 177.67 1x5e s GLN 66 N -2.71 2.89 0.00 2.33 -1.52 -0.97 -4.89 119.66 114.79 1x5e s GLN 66 Ca -0.02 -2.95 0.15 0.00 -1.95 0.00 0.00 55.36 50.58 1x5e s GLN 66 Cb 0.09 -3.81 0.70 0.00 -0.22 0.00 0.00 33.01 29.77 1x5e s GLN 66 CO 0.82 -1.23 1.42 -0.35 -0.25 0.00 0.00 175.29 175.70 1x5e n PRO 67 N 2.82 0.15 -0.10 2.91 -0.04 -1.26 -2.80 135.00 136.67 1x5e n PRO 67 Ca 0.15 0.18 -0.21 0.00 -0.04 0.00 0.00 63.50 63.58 1x5e n PRO 67 Cb 0.37 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.21 1x5e n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x5e n GLY 68 N -0.03 -0.45 0.31 0.55 0.00 -1.26 -4.32 105.19 99.98 1x5e n GLY 68 Ca 0.06 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 1x5e n GLY 68 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x5e h LEU 69 N -0.21 1.02 -0.24 0.99 3.38 -1.88 -1.69 115.31 116.68 1x5e h LEU 69 Ca -0.55 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.21 1x5e h LEU 69 Cb 1.85 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 42.25 1x5e h LEU 69 CO -0.11 1.05 -0.38 0.28 0.09 0.00 0.00 178.44 179.37 1x5e h SER 70 N 0.98 -1.22 0.45 -0.43 0.02 -1.74 -1.32 113.55 110.30 1x5e h SER 70 Ca 0.18 0.18 -0.12 0.00 -0.84 0.00 0.00 61.79 61.19 1x5e h SER 70 Cb 0.50 0.52 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 1x5e h SER 70 CO 0.02 -0.38 -0.54 1.23 -1.14 0.00 0.00 176.83 176.02 1x5e h GLY 71 N -0.39 0.11 1.25 -3.77 0.00 -1.74 0.39 103.07 98.91 1x5e h GLY 71 Ca 0.11 -0.12 0.10 0.00 0.00 0.00 0.00 47.33 47.42 1x5e h GLY 71 CO -0.45 0.11 0.28 -0.09 0.00 0.00 0.00 176.54 176.39 1x5e h ARG 72 N 0.08 0.00 0.00 4.80 9.65 -0.28 -2.21 114.38 126.41 1x5e h ARG 72 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1x5e h ARG 72 Cb 0.98 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 1x5e h ARG 72 CO 0.08 0.00 -0.55 1.19 2.80 0.00 0.00 179.97 183.49 1x5e n PHE 73 N -4.17 0.00 -3.48 2.20 3.01 -0.89 -4.92 117.46 109.22 1x5e n PHE 73 Ca 0.05 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.33 1x5e n PHE 73 Cb 0.45 -0.03 0.08 0.00 -0.01 0.00 0.00 39.48 39.97 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 -1.29 -5.64 -2.26 4.37 -0.00 0.13 -4.87 119.36 109.81 1x5e n ILE 74 Ca 0.00 -0.48 -0.34 0.00 -0.00 0.00 0.00 62.75 61.94 1x5e n ILE 74 Cb 0.07 -4.77 -0.04 0.00 -0.00 0.00 0.00 39.64 34.91 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 -3.41 3.62 -0.44 1.39 -1.09 -1.08 -4.79 121.20 115.41 1x5e s ILE 75 Ca 0.03 -0.39 0.05 0.00 -2.23 0.00 0.00 60.65 58.11 1x5e s ILE 75 Cb -0.01 -4.42 0.41 0.00 -1.58 0.00 0.00 42.46 36.86 1x5e s ILE 75 CO 0.74 -1.35 1.32 0.59 -1.23 0.00 0.00 174.94 175.02 1x5e n ASN 76 N 11.79 3.52 -3.64 3.58 4.13 -1.26 -4.83 115.26 128.55 1x5e n ASN 76 Ca 0.33 -2.67 -0.10 0.00 1.68 0.00 0.00 54.58 53.82 1x5e n ASN 76 Cb 0.49 -0.64 -0.07 0.00 -1.54 0.00 0.00 39.78 38.02 1x5e n ASN 76 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x5e s ALA 77 N -1.89 -1.93 0.01 5.41 0.00 -1.26 -5.18 121.76 116.92 1x5e s ALA 77 Ca 0.30 1.94 -0.06 0.00 0.00 0.00 0.00 51.96 54.15 1x5e s ALA 77 Cb 0.24 -1.38 -0.00 0.00 0.00 0.00 0.00 23.12 21.98 1x5e s ALA 77 CO 0.08 -0.27 0.11 -0.51 0.00 0.00 0.00 175.76 175.16 1x5e s LEU 78 N 0.34 1.70 1.01 0.00 1.43 -1.26 -4.26 118.68 117.64 1x5e s LEU 78 Ca 0.02 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.68 1x5e s LEU 78 Cb -0.05 0.58 0.20 0.00 0.03 0.00 0.00 46.19 46.95 1x5e s LEU 78 CO -0.05 -0.39 1.09 -2.16 0.23 0.00 0.00 176.35 175.07 1x5e s PRO 79 N -1.64 0.32 -0.27 1.29 0.04 -1.26 -4.93 135.00 128.56 1x5e s PRO 79 Ca -0.13 0.49 -0.12 0.00 0.04 0.00 0.00 61.00 61.28 1x5e s PRO 79 Cb -0.07 -1.73 0.10 0.00 0.04 0.00 0.00 34.50 32.85 1x5e s PRO 79 CO 0.00 -2.80 0.61 0.99 0.04 0.00 0.00 177.00 175.85 1x5e s THR 80 N -2.97 -0.52 -0.11 1.26 2.01 -1.07 -4.98 115.64 109.27 1x5e s THR 80 Ca 0.66 0.03 -0.05 0.00 0.31 0.00 0.00 61.69 62.64 1x5e s THR 80 Cb -0.19 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 1x5e s THR 80 CO 0.58 0.01 0.07 -0.63 -0.69 0.00 0.00 174.62 173.96 1x5e s ILE 81 N 2.29 4.89 -0.05 1.82 1.01 -1.26 0.32 121.20 130.21 1x5e s ILE 81 Ca -0.07 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.57 1x5e s ILE 81 Cb -0.09 -3.11 0.02 0.00 0.01 0.00 0.00 42.46 39.28 1x5e s ILE 81 CO -0.18 0.59 -0.09 -0.31 0.00 0.00 0.00 174.94 174.95 1x5e s TYR 82 N -0.75 1.18 -0.36 3.97 2.02 0.99 -2.45 117.35 121.95 1x5e s TYR 82 Ca 0.12 -0.40 -0.14 0.00 -0.37 0.00 0.00 57.07 56.28 1x5e s TYR 82 Cb -0.12 -0.90 -0.01 0.00 -0.40 0.00 0.00 41.96 40.54 1x5e s TYR 82 CO 0.03 -0.23 0.30 -1.58 -1.57 0.00 0.00 175.55 172.49 1x5e s HIS 83 N 0.70 3.22 -0.42 2.71 5.65 -1.08 -1.18 115.29 124.89 1x5e s HIS 83 Ca -0.13 -0.26 -0.06 0.00 0.25 0.00 0.00 55.06 54.86 1x5e s HIS 83 Cb -0.15 -2.58 0.10 0.00 -1.18 0.00 0.00 32.58 28.77 1x5e s HIS 83 CO 0.02 -0.45 0.24 0.00 -0.65 0.00 0.00 174.74 173.90 1x5e s LYS 85 N 1.30 1.51 -1.38 0.00 -2.85 -0.62 -0.14 119.74 117.56 1x5e s LYS 85 Ca 0.05 -0.49 -0.02 0.00 -1.00 0.00 0.00 55.97 54.51 1x5e s LYS 85 Cb -0.23 -1.33 0.01 0.00 -2.06 0.00 0.00 37.83 34.22 1x5e s LYS 85 CO -0.01 0.17 0.59 -3.47 0.10 0.00 0.00 175.35 172.73 1x5e n ASP 86 N 3.28 -1.07 0.00 0.03 2.03 -1.22 0.44 116.55 120.04 1x5e n ASP 86 Ca -0.19 -0.91 0.00 0.00 0.52 0.00 0.00 54.79 54.21 1x5e n ASP 86 Cb 0.53 -3.53 0.00 0.00 -0.72 0.00 0.00 41.12 37.40 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 -1.77 0.05 3.98 0.27 0.00 -1.24 -4.94 105.19 101.55 1x5e n GLY 87 Ca -0.27 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.51 3.02 0.11 1.61 2.02 0.17 -4.98 118.70 119.15 1x5e s GLU 88 Ca 0.00 -1.09 0.03 0.00 0.02 0.00 0.00 54.97 53.93 1x5e s GLU 88 Cb 0.00 -2.78 -0.04 0.00 0.10 0.00 0.00 34.13 31.41 1x5e s GLU 88 CO 0.00 -0.01 -0.09 -0.06 0.02 0.00 0.00 175.26 175.11 1x5e s PHE 89 N -2.23 1.07 -0.30 1.61 0.40 -1.26 -1.58 117.98 115.70 1x5e s PHE 89 Ca 0.47 -0.74 -0.07 0.00 -0.60 0.00 0.00 56.93 55.99 1x5e s PHE 89 Cb -0.09 -0.58 0.18 0.00 0.51 0.00 0.00 43.02 43.04 1x5e s PHE 89 CO 0.31 -0.01 0.80 1.03 0.70 0.00 0.00 175.22 178.05 1x5e s ARG 90 N -3.28 0.41 0.17 0.44 0.52 -0.86 -3.32 118.95 113.02 1x5e s ARG 90 Ca 0.10 0.74 -0.34 0.00 -0.52 0.00 0.00 55.73 55.71 1x5e s ARG 90 Cb 0.00 0.41 -0.14 0.00 0.52 0.00 0.00 34.95 35.75 1x5e s ARG 90 CO -0.01 -0.42 1.59 -2.13 0.02 0.00 0.00 175.30 174.35 1x5e n ARG 91 N 5.43 2.21 -2.61 3.54 0.63 -1.26 -2.64 116.66 121.97 1x5e n ARG 91 Ca -0.04 0.80 -0.41 0.00 -0.92 0.00 0.00 57.85 57.28 1x5e n ARG 91 Cb 0.52 -2.58 -0.03 0.00 0.45 0.00 0.00 32.46 30.82 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 0.94 2.43 -1.21 -0.14 5.04 -1.02 -4.92 117.35 118.46 1x5e s TYR 92 Ca 0.78 -0.37 -0.14 0.00 -2.44 0.00 0.00 57.07 54.91 1x5e s TYR 92 Cb -0.66 -4.59 0.17 0.00 0.35 0.00 0.00 41.96 37.23 1x5e s TYR 92 CO 0.37 -1.97 1.44 1.04 -1.34 0.00 0.00 175.55 175.10 1x5e n GLN 93 N 8.92 3.37 -4.05 4.97 1.13 -1.26 -4.74 117.38 125.73 1x5e n GLN 93 Ca 0.11 -3.85 -0.12 0.00 -1.94 0.00 0.00 57.00 51.19 1x5e n GLN 93 Cb 0.49 -3.04 -0.04 0.00 0.11 0.00 0.00 30.24 27.76 1x5e n GLN 93 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1x5e s GLY 94 N 2.78 1.13 0.00 1.08 0.00 -1.26 -5.02 107.32 106.03 1x5e s GLY 94 Ca 0.43 -1.29 0.15 0.00 0.00 0.00 0.00 44.72 44.01 1x5e s GLY 94 CO 0.00 -0.87 1.40 -1.55 0.00 0.00 0.00 173.10 172.08 1x5e n PRO 95 N -0.49 0.25 -3.51 2.90 -0.04 -1.26 -4.86 135.00 127.99 1x5e n PRO 95 Ca -0.00 0.12 -0.22 0.00 -0.04 0.00 0.00 63.50 63.36 1x5e n PRO 95 Cb 0.62 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.24 -7.39 -3.99 0.54 1.74 -1.26 -5.00 116.66 100.06 1x5e n ARG 96 Ca 0.08 0.77 -0.29 0.00 -0.77 0.00 0.00 57.85 57.64 1x5e n ARG 96 Cb 0.11 -5.65 -0.05 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 -3.30 4.99 0.14 0.55 -4.23 -1.26 -4.96 115.64 107.56 1x5e s THR 97 Ca 0.52 -0.66 -0.30 0.00 -1.18 0.00 0.00 61.69 60.07 1x5e s THR 97 Cb -0.23 -3.46 -0.06 0.00 1.34 0.00 0.00 72.50 70.08 1x5e s THR 97 CO 0.68 0.06 1.56 0.50 -0.54 0.00 0.00 174.62 176.88 1x5e h LYS 98 N 2.89 -0.38 -0.04 3.99 3.64 -1.95 -1.91 116.57 122.81 1x5e h LYS 98 Ca -0.46 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 58.96 1x5e h LYS 98 Cb 1.17 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 1x5e h LYS 98 CO 0.70 -0.25 -0.33 -0.22 -2.27 0.00 0.00 179.45 177.07 1x5e h LYS 99 N -0.39 -0.37 -0.81 1.90 3.64 -1.96 -2.61 116.57 115.96 1x5e h LYS 99 Ca 0.10 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.58 1x5e h LYS 99 Cb 0.60 0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 32.41 1x5e h LYS 99 CO -0.57 -0.25 -0.48 -3.47 -2.27 0.00 0.00 179.45 172.41 1x5e n ASP 100 N -4.32 -0.86 -0.33 4.20 -0.08 -0.98 -0.27 116.55 113.91 1x5e n ASP 100 Ca -0.04 1.48 -0.05 0.00 -1.51 0.00 0.00 54.79 54.66 1x5e n ASP 100 Cb 0.24 -0.20 -0.03 0.00 2.34 0.00 0.00 41.12 43.47 1x5e n ASP 100 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1x5e n PHE 101 N -4.97 -0.18 -0.20 -0.67 3.72 -0.76 -0.65 117.46 113.76 1x5e n PHE 101 Ca 0.02 1.03 -0.07 0.00 -0.05 0.00 0.00 57.45 58.38 1x5e n PHE 101 Cb 0.21 -0.68 -0.06 0.00 -0.94 0.00 0.00 39.48 38.01 1x5e n PHE 101 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1x5e h ILE 102 N 0.00 0.00 0.21 4.37 5.03 -0.54 -0.50 117.51 126.09 1x5e h ILE 102 Ca 0.21 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.96 1x5e h ILE 102 Cb 0.42 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 34.18 1x5e h ILE 102 CO -0.80 0.00 -0.29 -0.55 -0.68 0.00 0.00 178.15 175.83 1x5e h ASN 103 N -0.08 -0.81 -0.87 1.72 7.08 -0.91 0.16 115.58 121.88 1x5e h ASN 103 Ca 0.08 0.08 0.25 0.00 -3.08 0.00 0.00 56.30 53.63 1x5e h ASN 103 Cb 0.29 0.29 -0.03 0.00 -2.08 0.00 0.00 38.32 36.78 1x5e h ASN 103 CO -0.50 -0.40 1.00 0.15 -2.08 0.00 0.00 177.43 175.59 1x5e h PHE 104 N -0.56 0.00 0.00 4.14 3.57 0.01 1.46 116.94 125.55 1x5e h PHE 104 Ca 0.01 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 1x5e h PHE 104 Cb 0.55 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1x5e h PHE 104 CO -0.22 0.00 -1.17 -0.89 -2.23 0.00 0.00 178.31 173.80 1x5e n ILE 105 N -3.39 1.49 0.12 1.41 2.08 -0.28 -3.22 119.36 117.57 1x5e n ILE 105 Ca 0.19 0.03 -0.12 0.00 0.56 0.00 0.00 62.75 63.41 1x5e n ILE 105 Cb 1.27 -2.20 -0.08 0.00 -0.75 0.00 0.00 39.64 37.88 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 -1.00 -0.29 0.73 4.38 0.87 0.75 -3.11 113.55 115.88 1x5e h SER 106 Ca -0.22 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1x5e h SER 106 Cb 1.02 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1x5e h SER 106 CO -0.13 0.16 0.00 0.44 -0.53 0.00 0.00 176.83 176.77 1x5e h ASP 107 N -0.83 0.00 -5.91 6.23 5.19 0.18 -3.47 116.42 117.81 1x5e h ASP 107 Ca -0.04 0.00 -0.39 0.00 -0.62 0.00 0.00 57.03 55.99 1x5e h ASP 107 Cb 0.51 0.00 0.10 0.00 0.18 0.00 0.00 39.33 40.12 1x5e h ASP 107 CO 0.06 0.00 -0.78 0.29 -3.12 0.00 0.00 179.24 175.68 1x5e n LYS 108 N -2.65 -5.96 0.34 3.56 5.02 -0.87 -4.83 118.16 112.76 1x5e n LYS 108 Ca 0.01 0.73 0.20 0.00 -2.02 0.00 0.00 58.31 57.23 1x5e n LYS 108 Cb 0.23 -5.55 1.09 0.00 -0.02 0.00 0.00 35.03 30.78 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 -1.99 0.00 -0.61 1.97 5.08 -1.71 -1.50 114.58 115.82 1x5e h GLU 109 Ca -0.60 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 57.91 1x5e h GLU 109 Cb 1.35 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.57 1x5e h GLU 109 CO 0.55 0.00 0.43 0.11 -1.00 0.00 0.00 179.01 179.09 1x5e h TRP 110 N 0.00 0.20 -0.63 4.33 5.08 -1.88 -1.79 115.95 121.26 1x5e h TRP 110 Ca 0.00 0.01 0.13 0.00 1.08 0.00 0.00 58.89 60.11 1x5e h TRP 110 Cb 0.21 -0.07 -0.11 0.00 -3.00 0.00 0.00 29.16 26.20 1x5e h TRP 110 CO 0.00 0.08 -0.02 0.87 -1.28 0.00 0.00 178.44 178.10 1x5e h LYS 111 N 0.18 0.10 0.00 0.12 6.56 -1.63 0.42 116.57 122.32 1x5e h LYS 111 Ca 0.29 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.85 1x5e h LYS 111 Cb 0.91 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.55 1x5e h LYS 111 CO -0.05 0.06 -0.15 0.77 -2.06 0.00 0.00 179.45 178.03 1x5e h SER 112 N 0.10 0.00 -3.46 0.86 0.02 -1.55 -3.42 113.55 106.10 1x5e h SER 112 Ca 0.33 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.74 1x5e h SER 112 Cb 0.54 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 1x5e h SER 112 CO -0.56 0.15 0.19 -0.63 -1.14 0.00 0.00 176.83 174.84 1x5e s ILE 113 N -4.46 4.63 0.21 3.27 1.01 0.15 -5.05 121.20 120.96 1x5e s ILE 113 Ca -0.04 1.70 -0.28 0.00 0.00 0.00 0.00 60.65 62.04 1x5e s ILE 113 Cb 0.15 -4.14 -0.09 0.00 0.01 0.00 0.00 42.46 38.39 1x5e s ILE 113 CO 0.64 0.39 0.87 -1.61 0.00 0.00 0.00 174.94 175.23 1x5e s GLU 114 N -0.28 4.71 0.78 2.79 2.02 -1.26 -4.93 118.70 122.54 1x5e s GLU 114 Ca 0.39 1.33 -0.11 0.00 0.02 0.00 0.00 54.97 56.60 1x5e s GLU 114 Cb -0.21 -3.24 0.06 0.00 0.10 0.00 0.00 34.13 30.84 1x5e s GLU 114 CO 0.24 0.53 1.09 -1.25 0.02 0.00 0.00 175.26 175.89 1x5e s PRO 115 N -1.23 2.16 0.60 0.39 0.04 -1.26 -4.30 135.00 131.40 1x5e s PRO 115 Ca 0.39 1.14 0.01 0.00 0.04 0.00 0.00 61.00 62.58 1x5e s PRO 115 Cb -0.24 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.47 1x5e s PRO 115 CO 0.29 -1.70 0.84 0.14 0.04 0.00 0.00 177.00 176.61 1x5e s VAL 116 N -2.90 2.50 0.40 -0.36 -7.23 -1.21 -4.94 120.40 106.65 1x5e s VAL 116 Ca 0.61 -0.64 0.05 0.00 -1.81 0.00 0.00 61.98 60.19 1x5e s VAL 116 Cb -0.17 -2.86 -0.02 0.00 0.56 0.00 0.00 36.38 33.89 1x5e s VAL 116 CO 0.56 0.00 0.17 -0.44 -0.31 0.00 0.00 175.10 175.08 1x5e s SER 117 N -4.52 2.61 -0.59 4.85 0.01 -1.26 -4.79 113.70 110.02 1x5e s SER 117 Ca 0.60 -1.72 -0.01 0.00 1.31 0.00 0.00 55.95 56.13 1x5e s SER 117 Cb -0.09 0.57 -0.01 0.00 0.21 0.00 0.00 66.02 66.70 1x5e s SER 117 CO 0.40 -0.99 0.50 -0.24 0.41 0.00 0.00 173.24 173.32 1x5e n SER 118 N -1.43 -2.47 0.11 2.44 2.88 -1.26 -4.95 113.62 108.93 1x5e n SER 118 Ca -0.03 -0.32 -0.02 0.00 -1.33 0.00 0.00 58.87 57.16 1x5e n SER 118 Cb 0.64 -2.85 0.01 0.00 -0.75 0.00 0.00 64.21 61.26 1x5e n SER 118 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 1x5e h TRP 119 N -0.88 0.00 -6.61 0.66 -0.00 -1.91 -3.47 115.95 103.73 1x5e h TRP 119 Ca -0.30 0.00 -0.38 0.00 -0.00 0.00 0.00 58.89 58.21 1x5e h TRP 119 Cb 1.17 0.00 -0.09 0.00 -0.00 0.00 0.00 29.16 30.24 1x5e h TRP 119 CO 0.21 0.75 -0.61 0.34 -0.00 0.00 0.00 178.44 179.12 1x5e n PHE 120 N -3.39 -0.80 -3.39 2.65 -0.00 -1.26 -4.87 117.46 106.40 1x5e n PHE 120 Ca 0.00 0.25 0.02 0.00 -0.00 0.00 0.00 57.45 57.72 1x5e n PHE 120 Cb 0.80 -1.72 -0.03 0.00 -0.00 0.00 0.00 39.48 38.53 1x5e n PHE 120 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1x5e s SER 121 N -3.95 -1.02 0.18 -2.13 0.01 -1.26 -5.13 113.70 100.40 1x5e s SER 121 Ca 0.11 1.05 -0.07 0.00 1.31 0.00 0.00 55.95 58.36 1x5e s SER 121 Cb -0.06 2.03 0.03 0.00 0.21 0.00 0.00 66.02 68.22 1x5e s SER 121 CO 0.61 -0.19 0.36 0.61 0.41 0.00 0.00 173.24 175.04 1x5e n GLY 122 N 5.35 1.56 3.71 3.44 0.00 -1.26 -5.14 105.19 112.85 1x5e n GLY 122 Ca -0.07 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 1x5e n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5e s PRO 123 N -2.05 1.12 0.02 1.61 0.04 -1.26 -4.89 135.00 129.59 1x5e s PRO 123 Ca 0.08 0.77 -0.38 0.00 0.04 0.00 0.00 61.00 61.50 1x5e s PRO 123 Cb -0.02 -1.80 -0.19 0.00 0.04 0.00 0.00 34.50 32.53 1x5e s PRO 123 CO 0.06 -2.32 0.98 0.45 0.04 0.00 0.00 177.00 176.21 1x5e n SER 124 N -3.93 -0.15 -3.65 6.66 2.88 -1.26 -4.94 113.62 109.22 1x5e n SER 124 Ca 0.07 1.13 -0.11 0.00 -1.33 0.00 0.00 58.87 58.63 1x5e n SER 124 Cb 0.56 -0.90 -0.04 0.00 -0.75 0.00 0.00 64.21 63.07 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 -0.12 0.24 0.00 -3.46 1.04 -1.26 -5.30 113.70 104.84 1x5e s SER 125 Ca 0.86 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1x5e s SER 125 Cb -1.20 0.63 0.00 0.00 0.10 0.00 0.00 66.02 65.55 1x5e s SER 125 CO 0.56 -1.24 0.48 0.61 0.98 0.00 0.00 173.24 174.62