#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 4.55 -0.02 1.61 0.15 -1.26 -5.10 113.70 113.63 1x5e s SER 2 Ca 0.00 -0.21 -0.02 0.00 0.70 0.00 0.00 55.95 56.42 1x5e s SER 2 Cb 0.00 -1.74 0.00 0.00 -1.71 0.00 0.00 66.02 62.58 1x5e s SER 2 CO 0.00 0.14 0.06 -0.94 1.20 0.00 0.00 173.24 173.70 1x5e s SER 3 N 0.51 -0.01 -0.33 5.45 1.04 -1.26 -5.06 113.70 114.03 1x5e s SER 3 Ca -0.05 0.01 0.16 0.00 0.48 0.00 0.00 55.95 56.56 1x5e s SER 3 Cb -0.15 0.13 0.45 0.00 0.10 0.00 0.00 66.02 66.56 1x5e s SER 3 CO 0.03 -0.09 1.16 0.61 0.98 0.00 0.00 173.24 175.93 1x5e n GLY 4 N 2.70 1.61 3.95 7.32 0.00 -1.26 -5.13 105.19 114.38 1x5e n GLY 4 Ca -0.15 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.78 1x5e n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5e s SER 5 N -2.58 3.71 -0.33 1.61 0.15 -1.26 -4.97 113.70 110.03 1x5e s SER 5 Ca 0.23 0.09 -0.28 0.00 0.70 0.00 0.00 55.95 56.69 1x5e s SER 5 Cb 0.41 -0.31 -0.02 0.00 -1.71 0.00 0.00 66.02 64.40 1x5e s SER 5 CO -0.03 -2.33 1.76 -0.94 1.20 0.00 0.00 173.24 172.90 1x5e s SER 6 N -4.80 5.97 0.00 5.45 1.04 -1.26 -4.70 113.70 115.40 1x5e s SER 6 Ca 0.70 1.29 0.00 0.00 0.48 0.00 0.00 55.95 58.42 1x5e s SER 6 Cb -0.05 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1x5e s SER 6 CO 0.49 -1.65 0.00 0.61 0.98 0.00 0.00 173.24 173.67 1x5e n GLY 7 N 5.35 -1.08 0.08 7.32 0.00 -1.26 -4.87 105.19 110.73 1x5e n GLY 7 Ca 0.22 -1.46 -0.01 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.01 0.53 -4.76 1.61 4.13 -1.26 -4.92 115.26 109.58 1x5e n ASN 8 Ca 0.00 0.23 -0.40 0.00 1.68 0.00 0.00 54.58 56.10 1x5e n ASN 8 Cb 0.00 0.64 -0.05 0.00 -1.54 0.00 0.00 39.78 38.83 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 -2.92 3.65 0.02 2.41 1.01 -1.26 -4.79 120.40 118.53 1x5e s VAL 9 Ca -0.05 1.59 -0.00 0.00 0.00 0.00 0.00 61.98 63.51 1x5e s VAL 9 Cb 0.09 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1x5e s VAL 9 CO 0.83 0.33 0.15 -0.13 0.00 0.00 0.00 175.10 176.27 1x5e s ARG 10 N -1.57 3.25 -0.63 2.72 0.52 -0.31 -4.92 118.95 118.01 1x5e s ARG 10 Ca 0.46 -0.45 -0.15 0.00 -0.52 0.00 0.00 55.73 55.06 1x5e s ARG 10 Cb -0.29 -2.96 0.16 0.00 0.52 0.00 0.00 34.95 32.38 1x5e s ARG 10 CO 0.37 0.63 0.58 0.08 0.02 0.00 0.00 175.30 176.99 1x5e s VAL 11 N -1.35 5.32 -0.29 3.52 1.01 -1.26 0.28 120.40 127.63 1x5e s VAL 11 Ca 0.28 -1.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.16 1x5e s VAL 11 Cb -0.12 -4.37 0.01 0.00 0.00 0.00 0.00 36.38 31.90 1x5e s VAL 11 CO 0.20 -0.92 1.07 -0.63 0.00 0.00 0.00 175.10 174.82 1x5e s ILE 12 N 1.14 4.56 0.19 2.22 -1.09 -1.19 -4.97 121.20 122.05 1x5e s ILE 12 Ca 0.08 1.82 0.01 0.00 -2.23 0.00 0.00 60.65 60.33 1x5e s ILE 12 Cb -0.24 -4.38 0.04 0.00 -1.58 0.00 0.00 42.46 36.30 1x5e s ILE 12 CO -0.01 -0.39 0.25 0.35 -1.23 0.00 0.00 174.94 173.92 1x5e n THR 13 N 5.70 0.00 0.84 2.92 -2.24 -1.26 -4.74 114.28 115.50 1x5e n THR 13 Ca 0.12 -0.45 0.07 0.00 -2.27 0.00 0.00 64.05 61.52 1x5e n THR 13 Cb 0.47 -1.15 0.40 0.00 -2.10 0.00 0.00 70.33 67.95 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 -2.93 0.00 -0.04 3.42 2.03 -1.26 -2.43 116.55 115.33 1x5e n ASP 14 Ca 0.04 -0.36 -0.08 0.00 0.52 0.00 0.00 54.79 54.91 1x5e n ASP 14 Cb 0.16 -0.04 -0.03 0.00 -0.72 0.00 0.00 41.12 40.49 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 -1.04 0.19 0.29 -0.67 0.00 -1.26 -4.61 120.64 113.54 1x5e n GLU 15 Ca 0.10 0.07 0.15 0.00 0.00 0.00 0.00 57.16 57.47 1x5e n GLU 15 Cb 0.06 -0.95 0.89 0.00 0.00 0.00 0.00 31.44 31.44 1x5e n GLU 15 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1x5e h ASN 16 N -0.18 0.00 -0.83 4.31 4.21 -1.89 -2.97 115.58 118.22 1x5e h ASN 16 Ca -0.20 0.00 0.24 0.00 1.21 0.00 0.00 56.30 57.54 1x5e h ASN 16 Cb 1.23 0.00 -0.16 0.00 -1.12 0.00 0.00 38.32 38.27 1x5e h ASN 16 CO -0.09 0.01 0.05 -2.67 -1.29 0.00 0.00 177.43 173.44 1x5e n TRP 17 N -3.83 0.56 -0.28 1.19 4.27 -1.02 0.11 117.44 118.45 1x5e n TRP 17 Ca -0.03 1.00 0.06 0.00 -3.89 0.00 0.00 57.50 54.65 1x5e n TRP 17 Cb 0.10 -1.15 0.17 0.00 -1.36 0.00 0.00 31.31 29.08 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 0.07 -1.08 -2.67 3.08 -1.85 0.64 114.38 112.57 1x5e h ARG 18 Ca 0.52 -0.00 0.29 0.00 0.07 0.00 0.00 59.98 60.86 1x5e h ARG 18 Cb 1.10 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.05 1x5e h ARG 18 CO -0.77 0.05 0.71 0.93 -1.07 0.00 0.00 179.97 179.82 1x5e h GLU 19 N 0.08 0.27 -0.75 0.04 4.39 0.57 0.42 114.58 119.60 1x5e h GLU 19 Ca 0.44 -0.02 0.16 0.00 0.34 0.00 0.00 59.36 60.29 1x5e h GLU 19 Cb 0.80 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.34 1x5e h GLU 19 CO -0.73 0.18 0.51 -0.07 -1.16 0.00 0.00 179.01 177.74 1x5e h LEU 20 N 0.28 0.33 -2.07 1.33 3.38 0.24 0.33 115.31 119.13 1x5e h LEU 20 Ca 0.59 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.57 1x5e h LEU 20 Cb 1.72 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 1x5e h LEU 20 CO -0.23 0.17 -0.08 -0.07 0.09 0.00 0.00 178.44 178.31 1x5e h LEU 21 N 0.35 0.00 -9.29 1.67 3.38 -0.24 -3.36 115.31 107.82 1x5e h LEU 21 Ca 0.37 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.73 1x5e h LEU 21 Cb 0.94 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.57 1x5e h LEU 21 CO -0.11 0.08 -0.50 -1.61 0.09 0.00 0.00 178.44 176.40 1x5e s GLU 22 N -4.21 4.10 0.33 1.13 0.41 0.12 -1.67 118.70 118.90 1x5e s GLU 22 Ca -0.03 -0.22 0.00 0.00 -0.41 0.00 0.00 54.97 54.31 1x5e s GLU 22 Cb 0.13 -3.38 0.00 0.00 -1.78 0.00 0.00 34.13 29.10 1x5e s GLU 22 CO 0.56 0.35 0.00 0.41 -0.49 0.00 0.00 175.26 176.08 1x5e n GLY 23 N 3.37 -1.80 3.78 -1.39 0.00 -1.26 -4.76 105.19 103.13 1x5e n GLY 23 Ca -0.16 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.54 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 -6.36 6.60 -0.16 1.61 1.01 -1.26 -3.36 116.67 114.74 1x5e s ASP 24 Ca 0.00 2.05 -0.07 0.00 0.71 0.00 0.00 52.55 55.24 1x5e s ASP 24 Cb 0.00 -2.58 0.07 0.00 1.01 0.00 0.00 42.92 41.42 1x5e s ASP 24 CO 0.00 -0.60 0.35 0.26 0.21 0.00 0.00 175.17 175.39 1x5e s TRP 25 N -1.71 -0.60 -0.40 4.23 0.52 0.91 -3.59 118.94 118.28 1x5e s TRP 25 Ca 0.60 1.24 -0.14 0.00 0.02 0.00 0.00 56.10 57.83 1x5e s TRP 25 Cb -0.22 0.17 0.02 0.00 -1.15 0.00 0.00 33.47 32.30 1x5e s TRP 25 CO 0.27 -0.39 0.29 -1.64 0.02 0.00 0.00 176.95 175.49 1x5e s MET 26 N 2.20 2.94 0.14 4.98 -1.94 0.39 -1.26 119.30 126.76 1x5e s MET 26 Ca -0.03 -1.03 0.05 0.00 -1.71 0.00 0.00 55.69 52.97 1x5e s MET 26 Cb -0.11 -3.94 -0.04 0.00 2.01 0.00 0.00 34.83 32.75 1x5e s MET 26 CO -0.11 -0.74 0.05 0.42 -0.01 0.00 0.00 175.02 174.63 1x5e s ILE 27 N 1.66 4.13 -0.22 2.53 1.01 -0.82 -0.29 121.20 129.20 1x5e s ILE 27 Ca 0.04 -1.14 -0.03 0.00 0.00 0.00 0.00 60.65 59.53 1x5e s ILE 27 Cb -0.19 -3.05 0.10 0.00 0.01 0.00 0.00 42.46 39.33 1x5e s ILE 27 CO 0.09 -0.03 0.25 -1.83 0.00 0.00 0.00 174.94 173.42 1x5e s GLU 28 N -2.79 0.23 -0.36 2.79 4.04 -1.22 -0.74 118.70 120.64 1x5e s GLU 28 Ca 0.28 0.19 -0.29 0.00 0.04 0.00 0.00 54.97 55.19 1x5e s GLU 28 Cb -0.10 -1.04 0.01 0.00 0.02 0.00 0.00 34.13 33.01 1x5e s GLU 28 CO 0.20 -0.71 1.28 -0.06 -1.84 0.00 0.00 175.26 174.14 1x5e s PHE 29 N 2.36 2.67 0.44 4.83 0.40 0.61 -3.24 117.98 126.05 1x5e s PHE 29 Ca 0.08 0.82 0.04 0.00 -0.60 0.00 0.00 56.93 57.27 1x5e s PHE 29 Cb -0.15 -4.09 -0.04 0.00 0.51 0.00 0.00 43.02 39.24 1x5e s PHE 29 CO -0.16 -1.62 0.03 1.52 0.70 0.00 0.00 175.22 175.69 1x5e s TYR 30 N 4.61 2.10 -0.07 0.36 -0.85 -1.18 -1.69 117.35 120.63 1x5e s TYR 30 Ca 0.55 -0.89 -0.06 0.00 -0.52 0.00 0.00 57.07 56.14 1x5e s TYR 30 Cb -0.14 -1.57 0.02 0.00 0.38 0.00 0.00 41.96 40.65 1x5e s TYR 30 CO 0.26 0.22 0.19 0.00 -1.52 0.00 0.00 175.55 174.70 1x5e s ALA 31 N -2.91 -0.45 -0.60 9.51 0.00 -1.26 -3.42 121.76 122.62 1x5e s ALA 31 Ca 0.22 0.55 0.21 0.00 0.00 0.00 0.00 51.96 52.95 1x5e s ALA 31 Cb 0.06 -0.33 0.89 0.00 0.00 0.00 0.00 23.12 23.74 1x5e s ALA 31 CO 0.11 -0.10 1.65 -0.35 0.00 0.00 0.00 175.76 177.07 1x5e n PRO 32 N 3.11 0.15 -0.96 0.00 -0.04 -1.26 -2.51 135.00 133.49 1x5e n PRO 32 Ca -0.14 0.39 -0.08 0.00 -0.04 0.00 0.00 63.50 63.63 1x5e n PRO 32 Cb 0.58 -1.78 0.18 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.06 1.34 -4.49 0.54 4.27 -1.26 -4.97 117.44 110.80 1x5e n TRP 33 Ca 0.02 -1.75 -0.23 0.00 -3.89 0.00 0.00 57.50 51.66 1x5e n TRP 33 Cb 0.21 -0.53 -0.16 0.00 -1.36 0.00 0.00 31.31 29.47 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 6.70 0.32 -0.98 0.00 0.13 -1.93 -3.10 132.00 133.14 1x5e h PRO 35 Ca -0.33 -0.17 0.23 0.00 -0.87 0.00 0.00 66.00 64.86 1x5e h PRO 35 Cb 1.17 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 1x5e h PRO 35 CO 0.48 0.72 0.63 0.00 -0.23 0.00 0.00 178.00 179.60 1x5e h ALA 36 N 0.60 2.12 -0.37 -0.56 0.00 -1.96 0.59 119.26 119.69 1x5e h ALA 36 Ca 0.02 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1x5e h ALA 36 Cb 0.66 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1x5e h ALA 36 CO 0.03 -0.47 -0.22 0.00 0.00 0.00 0.00 179.25 178.59 1x5e n GLN 38 N -4.25 0.11 -0.07 0.00 6.02 0.19 -0.14 117.38 119.24 1x5e n GLN 38 Ca -0.02 0.60 -0.14 0.00 -0.01 0.00 0.00 57.00 57.42 1x5e n GLN 38 Cb 0.44 -2.05 -0.14 0.00 1.02 0.00 0.00 30.24 29.51 1x5e n GLN 38 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x5e n ASN 39 N -2.13 1.18 0.08 1.08 3.02 -1.01 -4.34 115.26 113.14 1x5e n ASN 39 Ca -0.01 0.09 -0.09 0.00 -0.03 0.00 0.00 54.58 54.54 1x5e n ASN 39 Cb 0.22 -0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.31 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 0.01 0.13 -0.79 3.41 5.85 -0.56 -3.31 115.31 120.05 1x5e h LEU 40 Ca -0.48 -0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.21 1x5e h LEU 40 Cb 2.06 -0.04 -0.11 0.00 0.37 0.00 0.00 40.66 42.94 1x5e h LEU 40 CO 0.02 1.04 -0.40 0.00 -0.34 0.00 0.00 178.44 178.76 1x5e n GLN 41 N -3.48 -0.28 -0.06 1.25 1.13 0.80 0.09 117.38 116.83 1x5e n GLN 41 Ca -0.02 1.20 -0.13 0.00 -1.94 0.00 0.00 57.00 56.11 1x5e n GLN 41 Cb 0.91 -1.78 -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 0.40 -0.90 -1.09 0.13 -1.82 -2.87 132.00 125.85 1x5e h PRO 42 Ca 0.19 -0.21 0.19 0.00 -0.87 0.00 0.00 66.00 65.30 1x5e h PRO 42 Cb 0.39 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.45 1x5e h PRO 42 CO -0.76 0.77 0.59 0.93 -0.23 0.00 0.00 178.00 179.30 1x5e h GLU 43 N 0.05 0.47 0.06 0.86 3.07 -0.92 -1.11 114.58 117.06 1x5e h GLU 43 Ca 0.03 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1x5e h GLU 43 Cb 0.69 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1x5e h GLU 43 CO 0.04 0.31 -0.03 2.35 -1.40 0.00 0.00 179.01 180.28 1x5e h TRP 44 N 0.49 -0.07 -0.80 4.33 -0.00 -0.30 -2.54 115.95 117.06 1x5e h TRP 44 Ca 0.47 -0.00 0.14 0.00 -0.00 0.00 0.00 58.89 59.50 1x5e h TRP 44 Cb 1.05 0.02 -0.09 0.00 -0.00 0.00 0.00 29.16 30.14 1x5e h TRP 44 CO -0.00 0.45 0.38 0.93 -0.00 0.00 0.00 178.44 180.20 1x5e h GLU 45 N -0.65 0.54 0.00 2.65 5.08 -1.10 0.28 114.58 121.38 1x5e h GLU 45 Ca -0.01 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1x5e h GLU 45 Cb 0.55 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1x5e h GLU 45 CO 0.01 0.36 -0.27 0.77 -1.00 0.00 0.00 179.01 178.88 1x5e h SER 46 N 0.56 0.00 0.10 1.42 0.02 -1.27 -3.16 113.55 111.21 1x5e h SER 46 Ca 0.44 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1x5e h SER 46 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1x5e h SER 46 CO -0.37 0.27 -0.05 0.15 -1.14 0.00 0.00 176.83 175.70 1x5e h PHE 47 N 0.00 -0.12 0.00 3.45 3.57 -0.11 -3.20 116.94 120.53 1x5e h PHE 47 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1x5e h PHE 47 Cb 0.64 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.42 1x5e h PHE 47 CO 0.00 0.34 0.43 0.00 -2.23 0.00 0.00 178.31 176.85 1x5e h ALA 48 N -0.40 1.36 0.74 2.41 0.00 -0.96 -1.25 119.26 121.17 1x5e h ALA 48 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1x5e h ALA 48 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1x5e h ALA 48 CO 0.02 -0.36 -0.40 0.93 0.00 0.00 0.00 179.25 179.44 1x5e h GLU 49 N 0.00 -1.02 -0.01 0.00 5.08 -1.54 -3.01 114.58 114.07 1x5e h GLU 49 Ca 0.00 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1x5e h GLU 49 Cb 0.86 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1x5e h GLU 49 CO 0.00 -0.68 -0.24 -2.67 -1.00 0.00 0.00 179.01 174.42 1x5e n TRP 50 N -5.56 0.00 0.02 4.33 4.27 -0.62 -4.46 117.44 115.41 1x5e n TRP 50 Ca -0.14 0.00 -0.03 0.00 -3.89 0.00 0.00 57.50 53.44 1x5e n TRP 50 Cb 0.44 -0.09 -0.02 0.00 -1.36 0.00 0.00 31.31 30.28 1x5e n TRP 50 CO 0.00 0.00 0.00 0.78 -2.29 0.00 0.00 177.69 176.18 1x5e h GLY 51 N 4.90 -1.24 0.51 -1.67 0.00 -1.13 -0.82 103.07 103.64 1x5e h GLY 51 Ca 0.00 0.56 0.20 0.00 0.00 0.00 0.00 47.33 48.09 1x5e h GLY 51 CO 0.00 -0.44 0.55 1.05 0.00 0.00 0.00 176.54 177.70 1x5e h GLU 52 N -0.14 0.00 -0.60 4.80 4.11 -1.64 0.13 114.58 121.24 1x5e h GLU 52 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 1x5e h GLU 52 Cb 0.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1x5e h GLU 52 CO -0.06 0.00 0.11 -0.44 0.07 0.00 0.00 179.01 178.70 1x5e h ASP 53 N 0.00 0.94 -0.14 3.06 5.19 -1.49 -2.25 116.42 121.74 1x5e h ASP 53 Ca 0.33 -0.25 -0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1x5e h ASP 53 Cb 1.42 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 40.68 1x5e h ASP 53 CO -0.00 0.96 0.00 0.18 -3.12 0.00 0.00 179.24 177.25 1x5e n LEU 54 N -4.31 2.15 -3.42 1.55 4.77 0.41 -4.86 117.00 113.28 1x5e n LEU 54 Ca 0.03 -1.08 -0.18 0.00 -0.03 0.00 0.00 56.01 54.74 1x5e n LEU 54 Cb 0.27 -0.55 0.07 0.00 -2.33 0.00 0.00 43.42 40.88 1x5e n LEU 54 CO 0.42 0.34 0.03 -0.62 -1.33 0.00 0.00 177.39 176.23 1x5e n GLU 55 N 0.15 -4.07 -3.69 3.23 4.71 -0.84 -4.90 120.64 115.23 1x5e n GLU 55 Ca 0.07 0.78 -0.11 0.00 -0.01 0.00 0.00 57.16 57.89 1x5e n GLU 55 Cb 0.48 -5.58 -0.11 0.00 -1.01 0.00 0.00 31.44 25.22 1x5e n GLU 55 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1x5e s VAL 56 N -3.43 -0.26 0.30 2.62 0.11 -1.05 -4.86 120.40 113.82 1x5e s VAL 56 Ca 0.23 0.16 -0.22 0.00 -2.93 0.00 0.00 61.98 59.22 1x5e s VAL 56 Cb -0.04 -0.55 -0.09 0.00 -1.53 0.00 0.00 36.38 34.17 1x5e s VAL 56 CO 0.76 0.07 0.85 0.20 -3.33 0.00 0.00 175.10 173.65 1x5e s ASN 57 N 1.88 7.15 -0.07 3.54 0.01 -1.24 -2.72 114.94 123.50 1x5e s ASN 57 Ca -0.05 1.63 0.04 0.00 -0.71 0.00 0.00 52.86 53.77 1x5e s ASN 57 Cb -0.10 -2.50 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1x5e s ASN 57 CO -0.11 -0.08 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.60 1x5e s ILE 58 N -1.68 1.51 0.24 0.60 1.09 -1.26 -0.46 121.20 121.24 1x5e s ILE 58 Ca 0.49 -0.72 0.01 0.00 -1.10 0.00 0.00 60.65 59.33 1x5e s ILE 58 Cb -0.16 -1.32 -0.04 0.00 -1.06 0.00 0.00 42.46 39.88 1x5e s ILE 58 CO 0.21 0.44 0.14 0.00 -0.10 0.00 0.00 174.94 175.63 1x5e s ALA 59 N 0.32 1.48 0.01 9.38 0.00 0.60 -1.17 121.76 132.38 1x5e s ALA 59 Ca -0.11 -1.78 0.01 0.00 0.00 0.00 0.00 51.96 50.08 1x5e s ALA 59 Cb -0.15 1.29 -0.01 0.00 0.00 0.00 0.00 23.12 24.25 1x5e s ALA 59 CO 0.04 -0.56 -0.04 -1.59 0.00 0.00 0.00 175.76 173.62 1x5e s LYS 60 N -4.01 0.32 -0.02 0.00 -2.85 0.14 -3.46 119.74 109.86 1x5e s LYS 60 Ca 0.38 -0.39 0.08 0.00 -1.00 0.00 0.00 55.97 55.05 1x5e s LYS 60 Cb 0.06 -0.15 -0.02 0.00 -2.06 0.00 0.00 37.83 35.66 1x5e s LYS 60 CO 0.15 0.03 -0.25 0.08 0.10 0.00 0.00 175.35 175.45 1x5e s VAL 61 N -0.73 2.12 -0.23 1.79 1.01 -1.20 -3.20 120.40 119.96 1x5e s VAL 61 Ca -0.06 -1.10 -0.09 0.00 0.00 0.00 0.00 61.98 60.73 1x5e s VAL 61 Cb -0.05 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1x5e s VAL 61 CO -0.00 0.57 0.11 -1.81 0.00 0.00 0.00 175.10 173.96 1x5e s ASP 62 N -0.66 5.66 -0.09 3.32 1.11 -1.26 -3.11 116.67 121.64 1x5e s ASP 62 Ca 0.10 -0.01 0.02 0.00 0.18 0.00 0.00 52.55 52.84 1x5e s ASP 62 Cb -0.10 -2.01 0.18 0.00 1.07 0.00 0.00 42.92 42.05 1x5e s ASP 62 CO -0.01 0.05 1.04 1.33 1.18 0.00 0.00 175.17 178.76 1x5e n VAL 63 N 4.39 1.15 0.00 -1.27 0.24 -1.22 -2.28 118.33 119.34 1x5e n VAL 63 Ca -0.16 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 1x5e n VAL 63 Cb 0.52 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 32.20 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 0.13 0.00 -0.04 3.34 -2.24 -1.26 -4.81 114.28 109.40 1x5e n THR 64 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1x5e n THR 64 Cb 0.65 -0.59 -0.12 0.00 -2.10 0.00 0.00 70.33 68.17 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 -1.47 1.02 -3.71 -0.78 1.02 -1.22 -4.77 120.64 110.72 1x5e n GLU 65 Ca 0.00 -0.08 -0.35 0.00 -0.02 0.00 0.00 57.16 56.71 1x5e n GLU 65 Cb 0.31 -1.39 -0.09 0.00 -0.02 0.00 0.00 31.44 30.25 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 -2.75 2.85 0.48 3.49 -1.52 -0.96 -4.89 119.66 116.36 1x5e s GLN 66 Ca -0.07 -2.98 0.32 0.00 -1.95 0.00 0.00 55.36 50.68 1x5e s GLN 66 Cb 0.07 -3.78 1.31 0.00 -0.22 0.00 0.00 33.01 30.40 1x5e s GLN 66 CO 0.65 -1.23 1.93 -1.00 -0.25 0.00 0.00 175.29 175.39 1x5e h PRO 67 N 6.34 0.00 0.20 2.91 0.13 -1.86 -2.83 132.00 136.89 1x5e h PRO 67 Ca 0.08 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.88 1x5e h PRO 67 Cb 0.86 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.01 1x5e h PRO 67 CO 0.77 0.00 -1.60 0.78 -0.23 0.00 0.00 178.00 177.73 1x5e h GLY 68 N 2.02 0.47 2.00 1.56 0.00 -1.96 -3.20 103.07 103.96 1x5e h GLY 68 Ca 0.00 -1.21 -0.05 0.00 0.00 0.00 0.00 47.33 46.06 1x5e h GLY 68 CO 0.00 1.06 -0.25 1.41 0.00 0.00 0.00 176.54 178.77 1x5e h LEU 69 N 0.11 0.00 -0.10 3.11 3.38 -1.92 0.33 115.31 120.22 1x5e h LEU 69 Ca -0.29 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.55 1x5e h LEU 69 Cb 2.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.86 1x5e h LEU 69 CO 0.21 0.25 -0.46 0.77 0.09 0.00 0.00 178.44 179.30 1x5e h SER 70 N 0.00 0.58 0.63 -0.43 4.64 -1.60 -2.85 113.55 114.52 1x5e h SER 70 Ca -0.00 -0.64 -0.22 0.00 -0.47 0.00 0.00 61.79 60.46 1x5e h SER 70 Cb 0.86 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.74 1x5e h SER 70 CO 0.03 1.12 -1.51 1.23 -0.87 0.00 0.00 176.83 176.83 1x5e h GLY 71 N 0.07 0.00 0.92 -0.77 0.00 -1.54 -1.94 103.07 99.81 1x5e h GLY 71 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1x5e h GLY 71 CO 0.10 0.00 0.02 -0.09 0.00 0.00 0.00 176.54 176.56 1x5e h ARG 72 N 0.00 0.61 -0.99 4.80 2.43 -0.44 -2.71 114.38 118.08 1x5e h ARG 72 Ca -0.21 -0.19 -0.16 0.00 -0.81 0.00 0.00 59.98 58.62 1x5e h ARG 72 Cb 1.77 -0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 31.17 1x5e h ARG 72 CO 0.06 0.72 0.20 1.19 -1.51 0.00 0.00 179.97 180.63 1x5e n PHE 73 N -4.52 0.95 -3.90 2.20 3.01 -1.08 -4.85 117.46 109.27 1x5e n PHE 73 Ca -0.02 -0.89 -0.30 0.00 1.01 0.00 0.00 57.45 57.25 1x5e n PHE 73 Cb 0.26 -0.46 -0.07 0.00 -0.01 0.00 0.00 39.48 39.20 1x5e n PHE 73 CO 0.00 0.00 0.00 0.44 1.01 0.00 0.00 176.76 178.21 1x5e n ILE 74 N -0.01 -0.31 -2.82 4.37 -0.00 -1.02 -4.82 119.36 114.75 1x5e n ILE 74 Ca 0.18 -0.15 -0.42 0.00 -0.00 0.00 0.00 62.75 62.36 1x5e n ILE 74 Cb 0.86 -0.55 -0.04 0.00 -0.00 0.00 0.00 39.64 39.91 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 -3.29 4.69 -0.03 7.28 -1.09 -0.73 -4.86 121.20 123.18 1x5e s ILE 75 Ca 0.40 1.43 0.01 0.00 -2.23 0.00 0.00 60.65 60.25 1x5e s ILE 75 Cb -0.23 -4.25 -0.03 0.00 -1.58 0.00 0.00 42.46 36.38 1x5e s ILE 75 CO 0.80 -0.32 -0.02 0.59 -1.23 0.00 0.00 174.94 174.76 1x5e n ASN 76 N 6.43 3.86 -4.61 3.58 3.02 -1.26 -4.72 115.26 121.55 1x5e n ASN 76 Ca 0.07 -0.01 -0.26 0.00 -0.03 0.00 0.00 54.58 54.35 1x5e n ASN 76 Cb 0.48 0.10 -0.08 0.00 -0.61 0.00 0.00 39.78 39.66 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 -2.07 3.06 0.02 5.41 0.00 -1.26 -5.14 121.76 121.77 1x5e s ALA 77 Ca -0.04 -1.49 -0.06 0.00 0.00 0.00 0.00 51.96 50.38 1x5e s ALA 77 Cb 0.01 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 1x5e s ALA 77 CO 0.09 0.42 0.10 -0.51 0.00 0.00 0.00 175.76 175.86 1x5e s LEU 78 N -3.06 1.74 1.01 0.00 1.43 -1.26 -4.27 118.68 114.27 1x5e s LEU 78 Ca 0.27 -0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 1x5e s LEU 78 Cb -0.08 0.56 0.19 0.00 0.03 0.00 0.00 46.19 46.89 1x5e s LEU 78 CO 0.17 -0.40 1.09 -2.16 0.23 0.00 0.00 176.35 175.28 1x5e s PRO 79 N -1.76 0.34 -0.26 1.29 0.04 -1.26 -4.83 135.00 128.56 1x5e s PRO 79 Ca -0.12 0.49 -0.01 0.00 0.04 0.00 0.00 61.00 61.40 1x5e s PRO 79 Cb -0.06 -1.73 0.15 0.00 0.04 0.00 0.00 34.50 32.90 1x5e s PRO 79 CO -0.01 -2.79 0.41 0.99 0.04 0.00 0.00 177.00 175.64 1x5e s THR 80 N -2.96 -0.65 0.13 1.26 2.01 -0.68 -4.95 115.64 109.79 1x5e s THR 80 Ca 0.65 -0.12 -0.14 0.00 0.31 0.00 0.00 61.69 62.40 1x5e s THR 80 Cb -0.19 -0.87 -0.07 0.00 0.01 0.00 0.00 72.50 71.38 1x5e s THR 80 CO 0.58 -0.15 0.53 -0.63 -0.69 0.00 0.00 174.62 174.26 1x5e s ILE 81 N 2.58 4.87 -0.04 1.82 1.01 -1.26 -0.28 121.20 129.89 1x5e s ILE 81 Ca 0.13 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.62 1x5e s ILE 81 Cb -0.15 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.61 1x5e s ILE 81 CO -0.20 0.30 -0.02 -0.31 0.00 0.00 0.00 174.94 174.71 1x5e s TYR 82 N -1.40 0.57 -0.41 3.97 2.02 0.08 -2.34 117.35 119.84 1x5e s TYR 82 Ca 0.36 -0.12 -0.18 0.00 -0.37 0.00 0.00 57.07 56.75 1x5e s TYR 82 Cb -0.15 -0.60 0.02 0.00 -0.40 0.00 0.00 41.96 40.82 1x5e s TYR 82 CO 0.19 -0.20 0.51 -1.58 -1.57 0.00 0.00 175.55 172.90 1x5e s HIS 83 N 1.17 3.14 -0.31 2.71 5.65 0.01 -1.94 115.29 125.73 1x5e s HIS 83 Ca -0.07 -0.15 -0.09 0.00 0.25 0.00 0.00 55.06 54.99 1x5e s HIS 83 Cb -0.14 -3.02 -0.01 0.00 -1.18 0.00 0.00 32.58 28.23 1x5e s HIS 83 CO -0.02 -0.71 0.15 0.00 -0.65 0.00 0.00 174.74 173.52 1x5e s LYS 85 N 1.61 2.05 -0.64 0.00 2.20 -0.66 -0.06 119.74 124.23 1x5e s LYS 85 Ca 0.05 -0.49 -0.03 0.00 -0.36 0.00 0.00 55.97 55.14 1x5e s LYS 85 Cb -0.17 -1.98 0.03 0.00 -1.51 0.00 0.00 37.83 34.20 1x5e s LYS 85 CO 0.06 -0.26 0.11 -3.47 -0.36 0.00 0.00 175.35 171.43 1x5e n ASP 86 N 4.82 -2.35 0.00 1.43 -0.08 -1.21 0.43 116.55 119.59 1x5e n ASP 86 Ca -0.15 0.16 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1x5e n ASP 86 Cb 0.50 -2.06 0.00 0.00 2.34 0.00 0.00 41.12 41.90 1x5e n ASP 86 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x5e n GLY 87 N -0.73 3.10 3.40 0.27 0.00 -0.67 -4.87 105.19 105.68 1x5e n GLY 87 Ca -0.04 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 1x5e n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x5e n GLU 88 N 0.00 -0.04 -4.18 1.61 -0.58 0.17 -4.89 120.64 112.72 1x5e n GLU 88 Ca 0.00 0.03 -0.18 0.00 -0.42 0.00 0.00 57.16 56.59 1x5e n GLU 88 Cb 0.00 -1.77 -0.15 0.00 -0.57 0.00 0.00 31.44 28.95 1x5e n GLU 88 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1x5e s PHE 89 N -2.18 0.61 -0.06 -0.32 0.08 -1.26 -1.66 117.98 113.20 1x5e s PHE 89 Ca 0.59 -0.13 -0.02 0.00 0.12 0.00 0.00 56.93 57.48 1x5e s PHE 89 Cb -0.26 -0.47 0.04 0.00 -0.57 0.00 0.00 43.02 41.75 1x5e s PHE 89 CO 0.65 -0.08 0.11 1.03 -0.10 0.00 0.00 175.22 176.83 1x5e s ARG 90 N 0.31 -0.00 -0.10 0.44 0.52 -0.53 -0.82 118.95 118.77 1x5e s ARG 90 Ca -0.04 0.42 -0.30 0.00 -0.52 0.00 0.00 55.73 55.30 1x5e s ARG 90 Cb -0.08 -0.33 -0.04 0.00 0.52 0.00 0.00 34.95 35.03 1x5e s ARG 90 CO -0.00 -0.27 1.43 0.50 0.02 0.00 0.00 175.30 176.98 1x5e s ARG 91 N 1.90 4.22 -0.31 3.54 3.52 -1.26 -0.81 118.95 129.75 1x5e s ARG 91 Ca -0.00 1.91 -0.28 0.00 -0.13 0.00 0.00 55.73 57.23 1x5e s ARG 91 Cb -0.12 -3.82 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 1x5e s ARG 91 CO -0.05 -0.74 2.07 -0.47 -0.81 0.00 0.00 175.30 175.31 1x5e s TYR 92 N 3.54 1.41 -0.98 5.12 6.14 -0.99 -4.90 117.35 126.69 1x5e s TYR 92 Ca 0.63 0.69 -0.03 0.00 0.64 0.00 0.00 57.07 59.00 1x5e s TYR 92 Cb -0.27 -3.97 0.27 0.00 0.42 0.00 0.00 41.96 38.40 1x5e s TYR 92 CO 0.22 -3.42 1.08 1.04 0.64 0.00 0.00 175.55 175.11 1x5e n GLN 93 N 8.69 3.42 -2.57 4.97 6.02 -1.26 -4.78 117.38 131.87 1x5e n GLN 93 Ca 0.28 -4.52 -0.06 0.00 -0.01 0.00 0.00 57.00 52.68 1x5e n GLN 93 Cb 0.47 -2.46 -0.01 0.00 1.02 0.00 0.00 30.24 29.26 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 1.92 2.34 0.05 1.08 0.00 -1.26 -5.02 105.19 104.29 1x5e n GLY 94 Ca 0.25 -1.38 0.09 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.26 0.07 -3.47 1.61 -0.04 -1.26 -4.89 135.00 126.76 1x5e n PRO 95 Ca -0.01 0.32 -0.20 0.00 -0.04 0.00 0.00 63.50 63.56 1x5e n PRO 95 Cb 0.27 -1.63 0.08 0.00 -0.04 0.00 0.00 33.50 32.18 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 -1.76 -7.09 -4.13 0.54 1.74 -1.26 -5.01 116.66 99.70 1x5e n ARG 96 Ca 0.03 0.79 -0.28 0.00 -0.77 0.00 0.00 57.85 57.62 1x5e n ARG 96 Cb 0.19 -5.69 -0.07 0.00 -1.02 0.00 0.00 32.46 25.87 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 -3.31 4.16 0.17 0.55 -4.23 -1.26 -4.97 115.64 106.75 1x5e s THR 97 Ca 0.36 -1.14 -0.25 0.00 -1.18 0.00 0.00 61.69 59.48 1x5e s THR 97 Cb -0.16 -3.08 0.05 0.00 1.34 0.00 0.00 72.50 70.66 1x5e s THR 97 CO 0.69 -0.04 1.57 0.50 -0.54 0.00 0.00 174.62 176.80 1x5e h LYS 98 N 2.79 -0.22 0.28 3.99 3.64 -1.95 -1.08 116.57 124.02 1x5e h LYS 98 Ca -0.47 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.91 1x5e h LYS 98 Cb 1.19 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 1x5e h LYS 98 CO 0.61 -0.14 -0.32 -0.22 -2.27 0.00 0.00 179.45 177.11 1x5e h LYS 99 N -0.22 -0.58 -0.84 1.90 3.64 -1.96 -3.00 116.57 115.49 1x5e h LYS 99 Ca 0.19 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.68 1x5e h LYS 99 Cb 0.56 0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 32.42 1x5e h LYS 99 CO -0.68 -0.39 -0.50 -3.47 -2.27 0.00 0.00 179.45 172.15 1x5e n ASP 100 N -4.30 -0.89 -0.22 4.20 2.03 -0.94 -1.05 116.55 115.38 1x5e n ASP 100 Ca -0.07 1.55 -0.06 0.00 0.52 0.00 0.00 54.79 56.73 1x5e n ASP 100 Cb 0.28 -0.22 -0.05 0.00 -0.72 0.00 0.00 41.12 40.41 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 -4.98 -0.23 -0.10 -0.67 3.72 -0.45 -1.21 117.46 113.54 1x5e n PHE 101 Ca 0.02 0.66 -0.03 0.00 -0.05 0.00 0.00 57.45 58.05 1x5e n PHE 101 Cb 0.22 -0.51 -0.02 0.00 -0.94 0.00 0.00 39.48 38.22 1x5e n PHE 101 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1x5e n ILE 102 N -4.23 -0.17 -0.10 4.37 -0.00 -0.21 0.32 119.36 119.34 1x5e n ILE 102 Ca 0.01 1.22 -0.06 0.00 -0.00 0.00 0.00 62.75 63.92 1x5e n ILE 102 Cb 0.14 -1.57 0.00 0.00 -0.00 0.00 0.00 39.64 38.21 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 -0.59 -0.92 4.38 2.35 -1.15 0.34 115.58 119.99 1x5e h ASN 103 Ca 0.04 0.14 0.27 0.00 -0.55 0.00 0.00 56.30 56.19 1x5e h ASN 103 Cb 0.10 0.32 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 1x5e h ASN 103 CO -0.23 -0.21 0.79 0.15 -1.65 0.00 0.00 177.43 176.28 1x5e h PHE 104 N -0.12 0.00 0.00 1.19 3.57 0.98 0.80 116.94 123.36 1x5e h PHE 104 Ca 0.18 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1x5e h PHE 104 Cb 0.39 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1x5e h PHE 104 CO -0.39 0.00 -0.40 -0.89 -2.23 0.00 0.00 178.31 174.39 1x5e n ILE 105 N -3.89 0.90 0.16 1.41 2.08 0.61 -2.82 119.36 117.81 1x5e n ILE 105 Ca 0.20 0.31 -0.14 0.00 0.56 0.00 0.00 62.75 63.68 1x5e n ILE 105 Cb 1.10 -2.05 -0.07 0.00 -0.75 0.00 0.00 39.64 37.87 1x5e n ILE 105 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1x5e h SER 106 N -0.62 -0.72 0.00 4.38 0.87 -0.20 -0.29 113.55 116.97 1x5e h SER 106 Ca 0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1x5e h SER 106 Cb 0.40 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1x5e h SER 106 CO 0.00 -0.37 0.00 0.47 -0.53 0.00 0.00 176.83 176.40 1x5e n ASP 107 N -5.38 0.00 -3.66 6.23 9.92 0.28 -4.84 116.55 119.09 1x5e n ASP 107 Ca -0.08 -1.04 -0.26 0.00 -0.53 0.00 0.00 54.79 52.88 1x5e n ASP 107 Cb 0.29 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.72 1x5e n ASP 107 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1x5e n LYS 108 N -0.79 -1.47 -0.27 -1.24 5.02 -0.12 -4.69 118.16 114.61 1x5e n LYS 108 Ca 0.10 0.09 0.33 0.00 -2.02 0.00 0.00 58.31 56.81 1x5e n LYS 108 Cb 0.05 -4.33 0.72 0.00 -0.02 0.00 0.00 35.03 31.44 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 -0.53 0.00 -1.04 1.97 5.08 -1.65 0.12 114.58 118.53 1x5e h GLU 109 Ca -0.37 0.00 0.28 0.00 -1.00 0.00 0.00 59.36 58.28 1x5e h GLU 109 Cb 1.17 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.30 1x5e h GLU 109 CO 0.55 0.00 0.63 0.11 -1.00 0.00 0.00 179.01 179.30 1x5e h TRP 110 N 0.00 0.86 -0.82 4.33 5.08 -1.84 0.17 115.95 123.74 1x5e h TRP 110 Ca 0.52 0.03 0.18 0.00 1.08 0.00 0.00 58.89 60.71 1x5e h TRP 110 Cb 2.28 -0.24 -0.11 0.00 -3.00 0.00 0.00 29.16 28.09 1x5e h TRP 110 CO 0.00 -0.00 0.30 0.87 -1.28 0.00 0.00 178.44 178.33 1x5e h LYS 111 N 0.44 0.37 -0.17 0.12 1.57 -1.10 0.48 116.57 118.27 1x5e h LYS 111 Ca 0.66 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.47 1x5e h LYS 111 Cb 1.50 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.72 1x5e h LYS 111 CO -0.45 0.24 0.12 1.03 -0.57 0.00 0.00 179.45 179.83 1x5e h SER 112 N 0.38 0.00 -3.46 0.86 0.87 -0.85 -3.41 113.55 107.94 1x5e h SER 112 Ca 0.48 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.50 1x5e h SER 112 Cb 0.84 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.77 1x5e h SER 112 CO -0.49 0.00 0.23 -0.63 -0.53 0.00 0.00 176.83 175.40 1x5e s ILE 113 N -5.04 4.68 -0.12 2.23 1.01 0.17 -5.01 121.20 119.12 1x5e s ILE 113 Ca -0.05 1.77 -0.29 0.00 0.00 0.00 0.00 60.65 62.08 1x5e s ILE 113 Cb 0.18 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 1x5e s ILE 113 CO 0.69 0.33 1.34 -1.61 0.00 0.00 0.00 174.94 175.69 1x5e s GLU 114 N 0.05 4.24 0.81 2.79 2.02 -1.26 -4.97 118.70 122.38 1x5e s GLU 114 Ca 0.42 1.79 -0.11 0.00 0.02 0.00 0.00 54.97 57.09 1x5e s GLU 114 Cb -0.21 -3.77 0.08 0.00 0.10 0.00 0.00 34.13 30.33 1x5e s GLU 114 CO 0.25 -0.70 1.09 -1.25 0.02 0.00 0.00 175.26 174.68 1x5e s PRO 115 N 3.38 1.91 -0.06 0.39 0.04 -1.26 -4.84 135.00 134.56 1x5e s PRO 115 Ca 0.59 1.05 -0.04 0.00 0.04 0.00 0.00 61.00 62.64 1x5e s PRO 115 Cb -0.25 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1x5e s PRO 115 CO 0.19 -1.85 0.14 0.14 0.04 0.00 0.00 177.00 175.67 1x5e s VAL 116 N -2.91 5.34 -0.43 -0.36 -7.23 -0.00 -4.97 120.40 109.83 1x5e s VAL 116 Ca 0.62 -0.02 0.05 0.00 -1.81 0.00 0.00 61.98 60.81 1x5e s VAL 116 Cb -0.17 -3.40 0.42 0.00 0.56 0.00 0.00 36.38 33.79 1x5e s VAL 116 CO 0.56 0.47 1.16 -1.54 -0.31 0.00 0.00 175.10 175.45 1x5e n SER 117 N 1.49 4.87 -3.55 4.85 3.41 -1.26 -4.23 113.62 119.19 1x5e n SER 117 Ca -0.16 -3.73 -0.28 0.00 -0.26 0.00 0.00 58.87 54.44 1x5e n SER 117 Cb 0.54 -0.47 -0.12 0.00 -0.26 0.00 0.00 64.21 63.90 1x5e n SER 117 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x5e s SER 118 N -3.45 2.80 -0.32 4.04 0.01 -1.26 -5.07 113.70 110.45 1x5e s SER 118 Ca 0.49 -2.85 0.02 0.00 1.31 0.00 0.00 55.95 54.92 1x5e s SER 118 Cb 0.40 -0.73 0.08 0.00 0.21 0.00 0.00 66.02 65.99 1x5e s SER 118 CO -0.16 -0.22 0.02 0.86 0.41 0.00 0.00 173.24 174.15 1x5e s TRP 119 N 0.18 3.52 -0.89 2.43 -0.11 -1.26 -5.04 118.94 117.77 1x5e s TRP 119 Ca 0.24 -2.56 -0.07 0.00 1.22 0.00 0.00 56.10 54.93 1x5e s TRP 119 Cb -0.11 -2.56 0.23 0.00 -1.50 0.00 0.00 33.47 29.53 1x5e s TRP 119 CO -0.09 -0.91 0.81 0.12 -4.62 0.00 0.00 176.95 172.26 1x5e s PHE 120 N 1.05 3.88 -0.24 5.86 5.36 -1.26 -4.97 117.98 127.66 1x5e s PHE 120 Ca 0.02 -2.59 -0.03 0.00 -0.96 0.00 0.00 56.93 53.37 1x5e s PHE 120 Cb -0.20 -3.57 0.13 0.00 -0.34 0.00 0.00 43.02 39.04 1x5e s PHE 120 CO -0.06 -0.89 0.34 0.45 -1.46 0.00 0.00 175.22 173.61 1x5e s SER 121 N 1.05 0.51 0.00 6.13 0.15 -1.26 -5.07 113.70 115.21 1x5e s SER 121 Ca 0.24 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1x5e s SER 121 Cb -0.11 0.95 0.00 0.00 -1.71 0.00 0.00 66.02 65.15 1x5e s SER 121 CO -0.09 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1x5e n GLY 122 N 5.35 4.56 3.56 9.45 0.00 -1.26 -5.08 105.19 121.77 1x5e n GLY 122 Ca -0.04 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 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 3.84 2.59 -0.12 1.61 0.04 -1.26 -4.80 135.00 136.91 1x5e s PRO 123 Ca 0.00 0.13 -0.23 0.00 0.04 0.00 0.00 61.00 60.94 1x5e s PRO 123 Cb 0.00 -4.74 -0.26 0.00 0.04 0.00 0.00 34.50 29.53 1x5e s PRO 123 CO 0.00 -3.07 0.65 0.77 0.04 0.00 0.00 177.00 175.39 1x5e h SER 124 N 13.02 0.20 -3.23 6.66 0.02 -2.03 -3.45 113.55 124.74 1x5e h SER 124 Ca -0.07 -0.87 -0.57 0.00 -0.84 0.00 0.00 61.79 59.44 1x5e h SER 124 Cb 1.08 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.51 1x5e h SER 124 CO 1.21 1.32 -0.12 -0.44 -1.14 0.00 0.00 176.83 177.66 1x5e s SER 125 N -6.69 6.84 0.00 3.07 0.01 -1.26 -5.31 113.70 110.35 1x5e s SER 125 Ca -0.20 1.05 0.12 0.00 1.31 0.00 0.00 55.95 58.23 1x5e s SER 125 Cb 0.01 -2.28 0.09 0.00 0.21 0.00 0.00 66.02 64.06 1x5e s SER 125 CO 0.72 0.18 0.87 0.61 0.41 0.00 0.00 173.24 176.03