#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 0.31 0.21 1.61 0.15 -1.26 -5.18 113.70 109.55 1x5e s SER 2 Ca 0.00 -1.08 -0.13 0.00 0.70 0.00 0.00 55.95 55.44 1x5e s SER 2 Cb 0.00 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1x5e s SER 2 CO 0.00 -0.71 0.45 -0.94 1.20 0.00 0.00 173.24 173.24 1x5e s SER 3 N -2.99 -0.11 0.00 5.45 1.04 -1.26 -5.08 113.70 110.74 1x5e s SER 3 Ca 0.18 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1x5e s SER 3 Cb 0.07 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1x5e s SER 3 CO -0.02 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.74 1x5e n GLY 4 N -0.33 0.38 2.35 7.32 0.00 -1.26 -4.62 105.19 109.02 1x5e n GLY 4 Ca -0.05 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 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 6.04 -4.52 1.61 3.41 -1.26 -5.00 113.62 113.91 1x5e n SER 5 Ca 0.00 -3.77 -0.33 0.00 -0.26 0.00 0.00 58.87 54.51 1x5e n SER 5 Cb 0.00 -0.65 -0.12 0.00 -0.26 0.00 0.00 64.21 63.18 1x5e n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x5e s SER 6 N -2.71 4.47 0.17 4.04 0.01 -1.26 -5.08 113.70 113.34 1x5e s SER 6 Ca 0.54 -0.11 -0.33 0.00 1.31 0.00 0.00 55.95 57.35 1x5e s SER 6 Cb 0.44 -1.27 -0.14 0.00 0.21 0.00 0.00 66.02 65.26 1x5e s SER 6 CO -0.10 0.30 1.56 0.61 0.41 0.00 0.00 173.24 176.03 1x5e n GLY 7 N 2.64 1.10 0.33 3.44 0.00 -1.26 -4.84 105.19 106.60 1x5e n GLY 7 Ca -0.18 0.63 0.15 0.00 0.00 0.00 0.00 46.02 46.63 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 5.74 0.00 -3.46 1.61 4.21 -1.96 -3.41 115.58 118.32 1x5e h ASN 8 Ca -0.45 0.00 -0.52 0.00 1.21 0.00 0.00 56.30 56.54 1x5e h ASN 8 Cb 1.25 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.45 1x5e h ASN 8 CO 0.87 0.00 0.44 -0.69 -1.29 0.00 0.00 177.43 176.76 1x5e s VAL 9 N -4.95 4.29 0.23 2.81 1.01 -1.26 -4.72 120.40 117.81 1x5e s VAL 9 Ca -0.05 1.81 -0.08 0.00 0.00 0.00 0.00 61.98 63.66 1x5e s VAL 9 Cb 0.18 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 1x5e s VAL 9 CO 0.67 0.23 0.52 -0.13 0.00 0.00 0.00 175.10 176.40 1x5e s ARG 10 N 0.30 3.74 -0.55 2.72 1.81 0.85 -4.88 118.95 122.94 1x5e s ARG 10 Ca 0.51 0.16 -0.10 0.00 -1.72 0.00 0.00 55.73 54.58 1x5e s ARG 10 Cb -0.26 -2.68 0.14 0.00 -0.45 0.00 0.00 34.95 31.71 1x5e s ARG 10 CO 0.31 0.32 0.44 0.08 -0.68 0.00 0.00 175.30 175.76 1x5e s VAL 11 N -1.85 4.45 0.28 3.52 1.01 -1.26 0.63 120.40 127.18 1x5e s VAL 11 Ca 0.46 -2.03 -0.29 0.00 0.00 0.00 0.00 61.98 60.11 1x5e s VAL 11 Cb -0.11 -3.89 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 1x5e s VAL 11 CO 0.24 -0.84 1.08 -0.63 0.00 0.00 0.00 175.10 174.94 1x5e s ILE 12 N 1.00 3.56 0.22 2.22 -1.09 -1.23 -4.97 121.20 120.91 1x5e s ILE 12 Ca 0.09 1.56 0.00 0.00 -2.23 0.00 0.00 60.65 60.07 1x5e s ILE 12 Cb -0.23 -3.99 -0.00 0.00 -1.58 0.00 0.00 42.46 36.66 1x5e s ILE 12 CO -0.02 0.36 0.01 0.35 -1.23 0.00 0.00 174.94 174.41 1x5e n THR 13 N 1.17 0.00 0.64 2.92 -2.24 -1.26 -4.81 114.28 110.69 1x5e n THR 13 Ca -0.01 -1.06 0.06 0.00 -2.27 0.00 0.00 64.05 60.76 1x5e n THR 13 Cb 0.45 0.24 0.32 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.24 0.00 0.00 3.42 -0.08 -1.26 -2.55 116.55 114.83 1x5e n ASP 14 Ca -0.08 -0.15 0.00 0.00 -1.51 0.00 0.00 54.79 53.04 1x5e n ASP 14 Cb 0.28 -0.12 0.00 0.00 2.34 0.00 0.00 41.12 43.62 1x5e n ASP 14 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1x5e n GLU 15 N -1.12 0.56 0.29 -0.67 -0.58 -1.26 -4.67 120.64 113.19 1x5e n GLU 15 Ca 0.07 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.95 1x5e n GLU 15 Cb 0.06 -1.00 0.86 0.00 -0.57 0.00 0.00 31.44 30.79 1x5e n GLU 15 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 1x5e h ASN 16 N 0.00 0.00 -0.87 1.62 -0.73 -1.89 -3.05 115.58 110.65 1x5e h ASN 16 Ca 0.00 0.00 0.16 0.00 1.87 0.00 0.00 56.30 58.33 1x5e h ASN 16 Cb 1.00 0.00 -0.15 0.00 0.27 0.00 0.00 38.32 39.43 1x5e h ASN 16 CO 0.00 0.03 -0.28 -2.67 -0.37 0.00 0.00 177.43 174.15 1x5e n TRP 17 N -3.81 0.18 -0.34 0.67 4.27 -1.06 -0.11 117.44 117.23 1x5e n TRP 17 Ca -0.03 1.07 -0.03 0.00 -3.89 0.00 0.00 57.50 54.62 1x5e n TRP 17 Cb 0.12 -0.92 0.00 0.00 -1.36 0.00 0.00 31.31 29.15 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 -5.36 -0.26 -0.33 -2.67 1.74 -1.15 0.16 116.66 108.79 1x5e n ARG 18 Ca 0.12 1.34 0.26 0.00 -0.77 0.00 0.00 57.85 58.79 1x5e n ARG 18 Cb 0.40 -1.98 0.50 0.00 -1.02 0.00 0.00 32.46 30.36 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 0.19 -1.00 5.56 4.39 -0.77 0.85 114.58 123.79 1x5e h GLU 19 Ca 0.26 -0.01 0.14 0.00 0.34 0.00 0.00 59.36 60.08 1x5e h GLU 19 Cb 0.47 -0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 28.99 1x5e h GLU 19 CO -0.85 0.12 0.63 -0.07 -1.16 0.00 0.00 179.01 177.68 1x5e h LEU 20 N 0.19 0.89 -2.00 1.33 3.38 0.14 0.12 115.31 119.36 1x5e h LEU 20 Ca 0.76 0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.94 1x5e h LEU 20 Cb 1.83 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.45 1x5e h LEU 20 CO -0.68 0.43 0.36 -0.07 0.09 0.00 0.00 178.44 178.57 1x5e h LEU 21 N 0.93 0.00 -9.50 1.67 3.38 0.74 -3.38 115.31 109.14 1x5e h LEU 21 Ca 0.52 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.83 1x5e h LEU 21 Cb 0.60 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.26 1x5e h LEU 21 CO -0.29 0.00 -0.51 -1.83 0.09 0.00 0.00 178.44 175.90 1x5e s GLU 22 N -5.01 3.49 0.47 1.13 -1.05 0.40 -0.48 118.70 117.65 1x5e s GLU 22 Ca -0.05 -0.20 0.00 0.00 -0.15 0.00 0.00 54.97 54.57 1x5e s GLU 22 Cb 0.19 -3.15 0.00 0.00 -0.44 0.00 0.00 34.13 30.73 1x5e s GLU 22 CO 0.73 0.68 0.00 0.41 0.95 0.00 0.00 175.26 178.02 1x5e n GLY 23 N 2.28 -1.81 3.79 -3.83 0.00 -1.26 -4.77 105.19 99.60 1x5e n GLY 23 Ca -0.19 -1.13 -0.38 0.00 0.00 0.00 0.00 46.02 44.32 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 -6.93 7.25 -0.11 1.61 1.01 -1.26 -3.46 116.67 114.78 1x5e s ASP 24 Ca 0.00 1.54 -0.04 0.00 0.71 0.00 0.00 52.55 54.76 1x5e s ASP 24 Cb 0.00 -2.46 0.06 0.00 1.01 0.00 0.00 42.92 41.52 1x5e s ASP 24 CO 0.00 0.14 0.23 0.26 0.21 0.00 0.00 175.17 176.01 1x5e s TRP 25 N -1.29 -0.33 -0.41 4.23 0.52 -0.62 -2.98 118.94 118.06 1x5e s TRP 25 Ca 0.38 0.82 -0.15 0.00 0.02 0.00 0.00 56.10 57.17 1x5e s TRP 25 Cb -0.20 -0.09 0.02 0.00 -1.15 0.00 0.00 33.47 32.05 1x5e s TRP 25 CO 0.24 -0.30 0.32 -1.64 0.02 0.00 0.00 176.95 175.58 1x5e s MET 26 N 2.13 3.03 0.05 4.98 -1.94 0.97 -1.83 119.30 126.69 1x5e s MET 26 Ca -0.01 -0.95 0.04 0.00 -1.71 0.00 0.00 55.69 53.06 1x5e s MET 26 Cb -0.12 -3.96 -0.04 0.00 2.01 0.00 0.00 34.83 32.72 1x5e s MET 26 CO -0.08 -0.74 -0.02 0.42 -0.01 0.00 0.00 175.02 174.59 1x5e s ILE 27 N 1.75 3.91 -0.22 2.53 1.01 -0.77 -0.25 121.20 129.16 1x5e s ILE 27 Ca 0.06 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 59.79 1x5e s ILE 27 Cb -0.19 -2.80 0.09 0.00 0.01 0.00 0.00 42.46 39.57 1x5e s ILE 27 CO 0.11 0.24 0.15 -1.83 0.00 0.00 0.00 174.94 173.60 1x5e s GLU 28 N -1.94 0.15 -0.30 2.79 4.04 -1.25 -0.51 118.70 121.68 1x5e s GLU 28 Ca 0.22 -0.16 -0.29 0.00 0.04 0.00 0.00 54.97 54.79 1x5e s GLU 28 Cb -0.11 -1.40 -0.01 0.00 0.02 0.00 0.00 34.13 32.62 1x5e s GLU 28 CO 0.14 -0.80 1.55 -0.06 -1.84 0.00 0.00 175.26 174.24 1x5e s PHE 29 N 2.19 2.22 0.40 4.83 0.40 0.17 -3.51 117.98 124.67 1x5e s PHE 29 Ca 0.06 0.65 0.05 0.00 -0.60 0.00 0.00 56.93 57.09 1x5e s PHE 29 Cb -0.16 -4.08 -0.07 0.00 0.51 0.00 0.00 43.02 39.23 1x5e s PHE 29 CO -0.20 -2.49 0.03 1.52 0.70 0.00 0.00 175.22 174.77 1x5e s TYR 30 N 5.45 2.28 -0.07 0.36 -0.85 -1.14 -2.66 117.35 120.72 1x5e s TYR 30 Ca 0.68 -0.80 -0.06 0.00 -0.52 0.00 0.00 57.07 56.37 1x5e s TYR 30 Cb -0.20 -1.61 0.02 0.00 0.38 0.00 0.00 41.96 40.55 1x5e s TYR 30 CO 0.30 0.28 0.19 0.00 -1.52 0.00 0.00 175.55 174.80 1x5e s ALA 31 N -2.90 -0.45 -2.00 9.51 0.00 -1.26 -3.44 121.76 121.21 1x5e s ALA 31 Ca 0.32 0.56 0.10 0.00 0.00 0.00 0.00 51.96 52.94 1x5e s ALA 31 Cb 0.09 -0.33 0.62 0.00 0.00 0.00 0.00 23.12 23.50 1x5e s ALA 31 CO 0.16 -0.10 1.06 -0.35 0.00 0.00 0.00 175.76 176.53 1x5e n PRO 32 N 3.13 0.49 0.00 0.00 -0.04 -1.26 -1.89 135.00 135.43 1x5e n PRO 32 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1x5e n PRO 32 Cb 0.58 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 1x5e n PRO 32 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1x5e n TRP 33 N -0.83 0.00 -2.77 0.54 4.27 -1.26 -5.04 117.44 112.35 1x5e n TRP 33 Ca 0.08 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.28 1x5e n TRP 33 Cb 0.04 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 29.94 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 5.43 -0.09 -0.55 0.00 0.13 -1.96 -3.10 132.00 131.86 1x5e h PRO 35 Ca -0.43 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1x5e h PRO 35 Cb 1.21 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1x5e h PRO 35 CO 0.71 0.36 0.37 0.00 -0.23 0.00 0.00 178.00 179.21 1x5e h ALA 36 N 0.29 1.66 0.57 -0.56 0.00 -1.94 -2.91 119.26 116.38 1x5e h ALA 36 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1x5e h ALA 36 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1x5e h ALA 36 CO 0.02 0.30 -0.40 0.00 0.00 0.00 0.00 179.25 179.16 1x5e h GLN 38 N -0.94 0.00 0.07 0.00 4.20 -1.43 2.00 115.11 119.00 1x5e h GLN 38 Ca -0.07 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.33 1x5e h GLN 38 Cb 0.78 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 1x5e h GLN 38 CO 0.04 0.00 -1.73 -0.97 -0.67 0.00 0.00 178.83 175.50 1x5e h ASN 39 N 0.00 0.22 0.56 1.46 -1.24 -1.34 -3.36 115.58 111.88 1x5e h ASN 39 Ca 0.31 -0.42 -0.23 0.00 0.71 0.00 0.00 56.30 56.67 1x5e h ASN 39 Cb 2.36 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 41.33 1x5e h ASN 39 CO -0.00 1.37 -1.00 0.25 -1.29 0.00 0.00 177.43 176.76 1x5e h LEU 40 N 0.04 0.36 -0.74 0.34 5.85 0.36 -3.30 115.31 118.22 1x5e h LEU 40 Ca -0.31 -0.32 0.09 0.00 0.84 0.00 0.00 57.88 58.19 1x5e h LEU 40 Cb 2.01 -0.11 -0.11 0.00 0.37 0.00 0.00 40.66 42.83 1x5e h LEU 40 CO 0.10 1.16 -0.35 0.00 -0.34 0.00 0.00 178.44 179.01 1x5e n GLN 41 N -3.63 -0.24 -0.06 1.25 1.13 0.88 -0.02 117.38 116.69 1x5e n GLN 41 Ca -0.05 1.13 -0.13 0.00 -1.94 0.00 0.00 57.00 56.00 1x5e n GLN 41 Cb 0.88 -1.66 -0.07 0.00 0.11 0.00 0.00 30.24 29.50 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 0.41 -0.95 -1.09 0.13 -1.79 -3.13 132.00 125.57 1x5e h PRO 42 Ca 0.20 -0.21 0.18 0.00 -0.87 0.00 0.00 66.00 65.29 1x5e h PRO 42 Cb 0.38 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.43 1x5e h PRO 42 CO -0.71 0.77 0.61 0.93 -0.23 0.00 0.00 178.00 179.36 1x5e h GLU 43 N 0.05 0.62 0.44 0.86 4.39 -0.69 -1.93 114.58 118.34 1x5e h GLU 43 Ca 0.03 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1x5e h GLU 43 Cb 0.70 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1x5e h GLU 43 CO 0.04 0.41 -0.21 2.35 -1.16 0.00 0.00 179.01 180.44 1x5e h TRP 44 N 0.64 -0.55 -0.63 4.33 -0.00 -0.40 -2.77 115.95 116.57 1x5e h TRP 44 Ca 0.51 -0.01 0.12 0.00 -0.00 0.00 0.00 58.89 59.51 1x5e h TRP 44 Cb 0.94 0.18 -0.12 0.00 -0.00 0.00 0.00 29.16 30.16 1x5e h TRP 44 CO -0.00 -0.26 -0.20 0.93 -0.00 0.00 0.00 178.44 178.91 1x5e h GLU 45 N -0.78 -0.04 -0.81 2.65 5.08 -1.32 0.40 114.58 119.76 1x5e h GLU 45 Ca -0.06 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.44 1x5e h GLU 45 Cb 0.54 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 1x5e h GLU 45 CO 0.10 -0.03 0.53 0.66 -1.00 0.00 0.00 179.01 179.28 1x5e h SER 46 N -0.04 0.55 0.53 1.42 4.64 -1.40 -2.31 113.55 116.94 1x5e h SER 46 Ca 0.29 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.62 1x5e h SER 46 Cb 0.50 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1x5e h SER 46 CO -0.67 0.30 -0.25 0.15 -0.87 0.00 0.00 176.83 175.48 1x5e h PHE 47 N 0.59 -0.66 -1.50 4.77 3.57 0.03 -3.14 116.94 120.60 1x5e h PHE 47 Ca 0.40 -0.02 0.44 0.00 3.53 0.00 0.00 57.97 62.33 1x5e h PHE 47 Cb 0.70 0.22 -0.08 0.00 2.79 0.00 0.00 35.95 39.58 1x5e h PHE 47 CO -0.00 -0.41 1.06 0.00 -2.23 0.00 0.00 178.31 176.73 1x5e h ALA 48 N -1.18 3.29 -0.18 2.41 0.00 -0.84 0.21 119.26 122.98 1x5e h ALA 48 Ca -0.07 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1x5e h ALA 48 Cb 0.55 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1x5e h ALA 48 CO 0.12 -1.77 -0.47 0.93 0.00 0.00 0.00 179.25 178.06 1x5e h GLU 49 N 0.04 -0.45 0.00 0.00 5.08 -1.37 -2.60 114.58 115.28 1x5e h GLU 49 Ca 0.75 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 59.13 1x5e h GLU 49 Cb 2.85 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 32.20 1x5e h GLU 49 CO -0.10 -0.30 -0.83 0.11 -1.00 0.00 0.00 179.01 176.90 1x5e h TRP 50 N -0.46 0.00 0.00 4.33 5.08 -1.32 -3.41 115.95 120.17 1x5e h TRP 50 Ca 0.04 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.01 1x5e h TRP 50 Cb 0.57 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.73 1x5e h TRP 50 CO -0.60 0.07 0.00 0.41 -1.28 0.00 0.00 178.44 177.03 1x5e n GLY 51 N 1.19 -2.81 0.43 11.11 0.00 0.61 0.16 105.19 115.87 1x5e n GLY 51 Ca -0.00 0.55 0.23 0.00 0.00 0.00 0.00 46.02 46.80 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 -0.46 1.61 4.11 -1.48 0.46 114.58 118.82 1x5e h GLU 52 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 1x5e h GLU 52 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1x5e h GLU 52 CO 0.00 0.00 -0.17 0.22 0.07 0.00 0.00 179.01 179.13 1x5e h ASP 53 N 0.00 0.89 -0.32 3.06 3.58 0.13 -2.63 116.42 121.14 1x5e h ASP 53 Ca 0.27 -0.31 -0.10 0.00 0.42 0.00 0.00 57.03 57.32 1x5e h ASP 53 Cb 1.58 -0.24 -0.06 0.00 1.72 0.00 0.00 39.33 42.33 1x5e h ASP 53 CO -0.00 1.05 0.13 0.18 -2.88 0.00 0.00 179.24 177.71 1x5e n LEU 54 N -4.13 3.71 -3.44 2.28 4.77 0.16 -4.86 117.00 115.48 1x5e n LEU 54 Ca 0.01 -1.91 -0.19 0.00 -0.03 0.00 0.00 56.01 53.89 1x5e n LEU 54 Cb 0.42 -0.61 0.07 0.00 -2.33 0.00 0.00 43.42 40.96 1x5e n LEU 54 CO 0.45 0.56 0.02 -0.62 -1.33 0.00 0.00 177.39 176.47 1x5e n GLU 55 N 0.05 -3.97 -3.70 3.23 1.02 -0.99 -4.94 120.64 111.35 1x5e n GLU 55 Ca 0.18 0.77 -0.11 0.00 -0.02 0.00 0.00 57.16 57.97 1x5e n GLU 55 Cb 0.80 -5.51 -0.11 0.00 -0.02 0.00 0.00 31.44 26.60 1x5e n GLU 55 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1x5e s VAL 56 N -3.44 -0.14 0.30 2.62 0.11 -1.15 -4.83 120.40 113.86 1x5e s VAL 56 Ca 0.23 0.13 -0.19 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 0.77 0.05 0.79 0.20 -3.33 0.00 0.00 175.10 173.58 1x5e s ASN 57 N 1.61 6.98 -0.07 3.54 0.01 -1.16 -2.19 114.94 123.66 1x5e s ASN 57 Ca -0.08 1.47 0.02 0.00 -0.71 0.00 0.00 52.86 53.57 1x5e s ASN 57 Cb -0.10 -2.44 0.01 0.00 0.41 0.00 0.00 41.25 39.13 1x5e s ASN 57 CO -0.11 -0.12 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.59 1x5e s ILE 58 N -1.79 1.28 0.43 0.60 1.09 -1.26 -0.02 121.20 121.52 1x5e s ILE 58 Ca 0.51 -0.56 0.04 0.00 -1.10 0.00 0.00 60.65 59.54 1x5e s ILE 58 Cb -0.14 -1.16 -0.02 0.00 -1.06 0.00 0.00 42.46 40.09 1x5e s ILE 58 CO 0.19 0.39 0.15 0.00 -0.10 0.00 0.00 174.94 175.57 1x5e s ALA 59 N 0.66 3.03 -0.12 9.38 0.00 0.65 -0.10 121.76 135.27 1x5e s ALA 59 Ca -0.14 -1.13 -0.10 0.00 0.00 0.00 0.00 51.96 50.58 1x5e s ALA 59 Cb -0.16 0.78 0.03 0.00 0.00 0.00 0.00 23.12 23.77 1x5e s ALA 59 CO 0.04 -0.35 0.30 -1.59 0.00 0.00 0.00 175.76 174.16 1x5e s LYS 60 N -3.65 0.34 -0.05 0.00 -2.85 0.20 -3.81 119.74 109.93 1x5e s LYS 60 Ca 0.22 0.44 0.05 0.00 -1.00 0.00 0.00 55.97 55.68 1x5e s LYS 60 Cb 0.01 0.15 -0.02 0.00 -2.06 0.00 0.00 37.83 35.91 1x5e s LYS 60 CO 0.15 -0.05 -0.18 0.08 0.10 0.00 0.00 175.35 175.45 1x5e s VAL 61 N 0.28 2.77 -0.62 1.79 1.01 -1.23 -3.50 120.40 120.90 1x5e s VAL 61 Ca -0.01 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.07 1x5e s VAL 61 Cb -0.03 -2.06 0.16 0.00 0.00 0.00 0.00 36.38 34.45 1x5e s VAL 61 CO -0.01 0.58 0.48 -0.62 0.00 0.00 0.00 175.10 175.54 1x5e s ASP 62 N -0.63 5.72 0.58 3.32 2.15 -1.26 -2.88 116.67 123.68 1x5e s ASP 62 Ca 0.09 -2.52 0.27 0.00 0.43 0.00 0.00 52.55 50.82 1x5e s ASP 62 Cb -0.11 -1.98 0.91 0.00 -0.30 0.00 0.00 42.92 41.44 1x5e s ASP 62 CO 0.01 -0.51 1.26 1.33 -0.17 0.00 0.00 175.17 177.08 1x5e n VAL 63 N 4.04 0.00 -0.01 1.11 0.24 -1.22 0.16 118.33 122.65 1x5e n VAL 63 Ca 0.04 1.22 -0.17 0.00 -2.04 0.00 0.00 64.34 63.40 1x5e n VAL 63 Cb 0.41 -2.19 -0.12 0.00 -1.47 0.00 0.00 33.84 30.47 1x5e n VAL 63 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1x5e h THR 64 N 0.00 1.53 -0.01 3.34 1.35 -1.91 -3.27 112.91 113.93 1x5e h THR 64 Ca 0.49 -2.14 -0.25 0.00 -0.55 0.00 0.00 66.41 63.97 1x5e h THR 64 Cb 2.87 2.86 0.02 0.00 -1.73 0.00 0.00 68.15 72.18 1x5e h THR 64 CO -0.01 0.60 -0.96 -0.33 -0.25 0.00 0.00 175.52 174.57 1x5e h GLU 65 N -0.41 0.67 -3.46 4.72 5.08 0.12 -3.39 114.58 117.92 1x5e h GLU 65 Ca -0.06 -0.71 -0.70 0.00 -1.00 0.00 0.00 59.36 56.89 1x5e h GLU 65 Cb 1.22 0.20 -0.35 0.00 0.50 0.00 0.00 28.75 30.31 1x5e h GLU 65 CO 0.08 1.29 -0.25 -0.65 -1.00 0.00 0.00 179.01 178.49 1x5e s GLN 66 N -3.34 2.87 0.47 2.33 -1.52 0.75 -4.90 119.66 116.33 1x5e s GLN 66 Ca -0.10 -2.85 0.31 0.00 -1.95 0.00 0.00 55.36 50.77 1x5e s GLN 66 Cb 0.06 -3.83 1.29 0.00 -0.22 0.00 0.00 33.01 30.32 1x5e s GLN 66 CO 0.91 -1.22 1.92 -1.00 -0.25 0.00 0.00 175.29 175.65 1x5e h PRO 67 N 6.60 0.00 0.00 2.91 0.13 -1.76 -3.25 132.00 136.64 1x5e h PRO 67 Ca 0.06 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.13 1x5e h PRO 67 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1x5e h PRO 67 CO 0.77 0.00 -0.61 0.78 -0.23 0.00 0.00 178.00 178.71 1x5e h GLY 68 N 2.02 0.00 -1.19 1.56 0.00 -1.90 -3.35 103.07 100.21 1x5e h GLY 68 Ca 0.00 0.00 0.45 0.00 0.00 0.00 0.00 47.33 47.78 1x5e h GLY 68 CO 0.00 0.00 1.16 1.41 0.00 0.00 0.00 176.54 179.11 1x5e h LEU 69 N -1.00 0.00 0.33 3.11 3.38 -1.97 0.16 115.31 119.31 1x5e h LEU 69 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1x5e h LEU 69 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1x5e h LEU 69 CO -0.06 0.00 -0.16 -1.28 0.09 0.00 0.00 178.44 177.04 1x5e h SER 70 N 0.00 -0.37 -0.74 -0.43 0.87 -1.71 -2.91 113.55 108.25 1x5e h SER 70 Ca 0.74 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 61.30 1x5e h SER 70 Cb 3.05 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 65.07 1x5e h SER 70 CO -0.01 -0.20 0.40 1.23 -0.53 0.00 0.00 176.83 177.73 1x5e h GLY 71 N -0.57 1.13 -0.03 5.77 0.00 -1.28 -2.73 103.07 105.36 1x5e h GLY 71 Ca -0.04 -0.51 0.11 0.00 0.00 0.00 0.00 47.33 46.88 1x5e h GLY 71 CO 0.07 0.49 -0.10 -0.09 0.00 0.00 0.00 176.54 176.91 1x5e h ARG 72 N 1.06 0.03 -1.35 4.80 2.43 -0.82 0.18 114.38 120.70 1x5e h ARG 72 Ca 0.27 -0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.24 1x5e h ARG 72 Cb 0.04 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.49 1x5e h ARG 72 CO -0.04 0.02 0.25 1.19 -1.51 0.00 0.00 179.97 179.88 1x5e n PHE 73 N -5.35 1.03 -2.92 2.20 3.01 -1.09 -4.85 117.46 109.50 1x5e n PHE 73 Ca 0.06 -1.31 -0.11 0.00 1.01 0.00 0.00 57.45 57.10 1x5e n PHE 73 Cb 0.29 -0.65 -0.03 0.00 -0.01 0.00 0.00 39.48 39.08 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 0.35 -0.24 0.10 4.37 -0.00 0.61 -4.77 119.36 119.79 1x5e n ILE 74 Ca 0.20 -0.12 -0.05 0.00 -0.00 0.00 0.00 62.75 62.79 1x5e n ILE 74 Cb 0.71 -0.28 -0.02 0.00 -0.00 0.00 0.00 39.64 40.06 1x5e n ILE 74 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 1x5e h ILE 75 N 0.02 0.00 -6.12 7.28 1.08 -1.68 -3.46 117.51 114.63 1x5e h ILE 75 Ca -0.20 -0.23 -0.39 0.00 -0.39 0.00 0.00 64.86 63.65 1x5e h ILE 75 Cb 0.44 0.00 -0.24 0.00 -3.07 0.00 0.00 36.82 33.95 1x5e h ILE 75 CO 0.24 0.00 -0.56 0.59 -0.69 0.00 0.00 178.15 177.73 1x5e n ASN 76 N -3.42 -1.42 -3.62 1.72 5.03 -1.26 -4.81 115.26 107.47 1x5e n ASN 76 Ca -0.04 -0.62 0.01 0.00 0.87 0.00 0.00 54.58 54.81 1x5e n ASN 76 Cb 0.12 -1.28 -0.06 0.00 -1.02 0.00 0.00 39.78 37.53 1x5e n ASN 76 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1x5e s ALA 77 N -2.65 -2.58 0.02 5.41 0.00 -1.26 -5.18 121.76 115.52 1x5e s ALA 77 Ca 0.52 2.04 -0.00 0.00 0.00 0.00 0.00 51.96 54.52 1x5e s ALA 77 Cb -0.30 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 20.88 1x5e s ALA 77 CO 0.63 -0.37 -0.03 -0.51 0.00 0.00 0.00 175.76 175.49 1x5e s LEU 78 N 1.21 2.23 0.94 0.00 1.43 -1.26 -4.15 118.68 119.07 1x5e s LEU 78 Ca -0.08 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.40 1x5e s LEU 78 Cb -0.03 0.11 0.15 0.00 0.03 0.00 0.00 46.19 46.46 1x5e s LEU 78 CO -0.12 -0.31 1.09 -2.16 0.23 0.00 0.00 176.35 175.09 1x5e s PRO 79 N -1.49 0.92 -0.30 1.29 0.04 -1.26 -4.96 135.00 129.24 1x5e s PRO 79 Ca -0.16 0.71 -0.12 0.00 0.04 0.00 0.00 61.00 61.47 1x5e s PRO 79 Cb -0.10 -1.78 0.12 0.00 0.04 0.00 0.00 34.50 32.78 1x5e s PRO 79 CO -0.01 -2.44 0.68 0.99 0.04 0.00 0.00 177.00 176.26 1x5e s THR 80 N -2.94 -0.74 -0.06 1.26 2.01 -1.09 -4.99 115.64 109.09 1x5e s THR 80 Ca 0.64 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.64 1x5e s THR 80 Cb -0.18 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 1x5e s THR 80 CO 0.57 0.00 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.83 1x5e s ILE 81 N 2.57 3.94 -0.03 1.82 1.01 -1.26 0.43 121.20 129.67 1x5e s ILE 81 Ca -0.07 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.17 1x5e s ILE 81 Cb -0.10 -2.65 -0.00 0.00 0.01 0.00 0.00 42.46 39.71 1x5e s ILE 81 CO -0.19 0.55 -0.14 -0.31 0.00 0.00 0.00 174.94 174.85 1x5e s TYR 82 N -0.88 1.44 -0.32 3.97 1.51 0.33 -1.11 117.35 122.29 1x5e s TYR 82 Ca 0.14 -0.39 -0.09 0.00 -1.01 0.00 0.00 57.07 55.72 1x5e s TYR 82 Cb -0.11 -0.98 0.01 0.00 -0.11 0.00 0.00 41.96 40.76 1x5e s TYR 82 CO 0.03 -0.13 0.14 -1.58 -1.11 0.00 0.00 175.55 172.90 1x5e s HIS 83 N 0.05 3.19 -0.27 2.71 5.65 0.03 -1.84 115.29 124.81 1x5e s HIS 83 Ca -0.03 -0.78 -0.11 0.00 0.25 0.00 0.00 55.06 54.40 1x5e s HIS 83 Cb -0.10 -2.34 -0.05 0.00 -1.18 0.00 0.00 32.58 28.91 1x5e s HIS 83 CO 0.01 -0.53 0.18 0.00 -0.65 0.00 0.00 174.74 173.75 1x5e s LYS 85 N 1.64 1.35 -1.49 0.00 2.20 0.10 -1.59 119.74 121.96 1x5e s LYS 85 Ca 0.07 -0.95 -0.13 0.00 -0.36 0.00 0.00 55.97 54.60 1x5e s LYS 85 Cb -0.16 -2.48 0.09 0.00 -1.51 0.00 0.00 37.83 33.77 1x5e s LYS 85 CO 0.10 -0.66 0.77 -0.25 -0.36 0.00 0.00 175.35 174.94 1x5e n ASP 86 N 4.73 -4.30 0.00 1.43 8.00 -1.22 -1.34 116.55 123.85 1x5e n ASP 86 Ca -0.10 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.74 1x5e n ASP 86 Cb 0.44 -3.49 0.00 0.00 -0.02 0.00 0.00 41.12 38.06 1x5e n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x5e n GLY 87 N -1.46 3.02 3.68 0.44 0.00 0.37 -4.90 105.19 106.34 1x5e n GLY 87 Ca 0.02 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 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 0.53 -4.48 1.61 0.28 -0.45 -4.87 120.64 113.26 1x5e n GLU 88 Ca 0.00 0.25 -0.23 0.00 -0.16 0.00 0.00 57.16 57.02 1x5e n GLU 88 Cb 0.00 -2.39 -0.11 0.00 1.43 0.00 0.00 31.44 30.37 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 -1.83 2.11 -0.28 -1.84 0.08 -1.26 0.03 117.98 114.99 1x5e s PHE 89 Ca 0.76 -0.76 -0.17 0.00 0.12 0.00 0.00 56.93 56.88 1x5e s PHE 89 Cb -0.33 -1.32 0.08 0.00 -0.57 0.00 0.00 43.02 40.88 1x5e s PHE 89 CO 0.48 0.25 0.69 1.03 -0.10 0.00 0.00 175.22 177.57 1x5e s ARG 90 N -3.77 0.73 -0.10 0.44 0.52 -0.50 -2.98 118.95 113.30 1x5e s ARG 90 Ca 0.33 1.18 -0.30 0.00 -0.52 0.00 0.00 55.73 56.43 1x5e s ARG 90 Cb 0.06 0.18 -0.02 0.00 0.52 0.00 0.00 34.95 35.70 1x5e s ARG 90 CO 0.15 -0.14 1.09 0.50 0.02 0.00 0.00 175.30 176.92 1x5e s ARG 91 N 1.42 4.38 0.17 3.54 3.52 -1.26 -0.79 118.95 129.93 1x5e s ARG 91 Ca -0.08 1.51 -0.31 0.00 -0.13 0.00 0.00 55.73 56.72 1x5e s ARG 91 Cb -0.05 -3.56 -0.09 0.00 -1.56 0.00 0.00 34.95 29.69 1x5e s ARG 91 CO -0.16 -0.40 1.38 -0.47 -0.81 0.00 0.00 175.30 174.84 1x5e s TYR 92 N 2.23 3.20 -0.52 5.12 6.14 -0.27 -4.97 117.35 128.29 1x5e s TYR 92 Ca 0.51 1.03 0.07 0.00 0.64 0.00 0.00 57.07 59.32 1x5e s TYR 92 Cb -0.21 -3.69 0.23 0.00 0.42 0.00 0.00 41.96 38.72 1x5e s TYR 92 CO 0.18 -2.33 0.59 1.04 0.64 0.00 0.00 175.55 175.68 1x5e n GLN 93 N 3.26 1.47 -3.93 4.97 6.02 -1.26 -4.77 117.38 123.14 1x5e n GLN 93 Ca 0.09 -3.90 -0.14 0.00 -0.01 0.00 0.00 57.00 53.05 1x5e n GLN 93 Cb 0.42 -1.76 -0.02 0.00 1.02 0.00 0.00 30.24 29.90 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 1.39 1.88 0.00 1.08 0.00 -1.26 -5.02 105.19 103.26 1x5e n GLY 94 Ca 0.25 -1.54 0.07 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.57 0.04 -3.35 1.61 -0.04 -1.26 -4.88 135.00 126.56 1x5e n PRO 95 Ca -0.01 0.23 -0.18 0.00 -0.04 0.00 0.00 63.50 63.50 1x5e n PRO 95 Cb 0.59 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.45 -6.33 -4.45 0.54 1.74 -1.26 -5.01 116.66 100.43 1x5e n ARG 96 Ca 0.04 0.71 -0.34 0.00 -0.77 0.00 0.00 57.85 57.49 1x5e n ARG 96 Cb 0.16 -5.35 -0.10 0.00 -1.02 0.00 0.00 32.46 26.14 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 -3.28 3.96 0.13 0.55 -4.23 -1.26 -4.87 115.64 106.65 1x5e s THR 97 Ca 0.32 -0.49 -0.24 0.00 -1.18 0.00 0.00 61.69 60.09 1x5e s THR 97 Cb -0.14 -2.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.98 1x5e s THR 97 CO 0.62 0.52 1.25 1.17 -0.54 0.00 0.00 174.62 177.63 1x5e n LYS 98 N 1.90 -0.34 0.03 3.99 4.81 -1.26 -1.06 118.16 126.22 1x5e n LYS 98 Ca -0.17 1.23 -0.08 0.00 -0.87 0.00 0.00 58.31 58.42 1x5e n LYS 98 Cb 0.53 -1.80 -0.05 0.00 0.02 0.00 0.00 35.03 33.73 1x5e n LYS 98 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1x5e h LYS 99 N 0.00 -0.31 -0.98 1.64 3.64 -1.95 -2.71 116.57 115.89 1x5e h LYS 99 Ca 0.14 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.64 1x5e h LYS 99 Cb 0.35 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 32.11 1x5e h LYS 99 CO -0.77 -0.21 -0.55 -0.25 -2.27 0.00 0.00 179.45 175.40 1x5e n ASP 100 N -3.88 -0.99 -0.22 4.20 9.92 -0.27 -1.26 116.55 124.04 1x5e n ASP 100 Ca -0.04 1.75 -0.06 0.00 -0.53 0.00 0.00 54.79 55.91 1x5e n ASP 100 Cb 0.19 -0.25 -0.05 0.00 -0.64 0.00 0.00 41.12 40.37 1x5e n ASP 100 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1x5e n PHE 101 N -5.26 -0.23 -0.20 1.24 3.72 -0.23 -0.90 117.46 115.61 1x5e n PHE 101 Ca 0.03 0.64 -0.05 0.00 -0.05 0.00 0.00 57.45 58.02 1x5e n PHE 101 Cb 0.27 -0.51 -0.05 0.00 -0.94 0.00 0.00 39.48 38.26 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 -4.20 -0.32 -0.17 4.37 -0.00 -0.39 0.14 119.36 118.78 1x5e n ILE 102 Ca 0.01 1.37 -0.01 0.00 -0.00 0.00 0.00 62.75 64.12 1x5e n ILE 102 Cb 0.13 -1.71 0.08 0.00 -0.00 0.00 0.00 39.64 38.14 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 -0.04 -0.52 4.38 2.35 -1.03 0.35 115.58 121.07 1x5e h ASN 103 Ca 0.08 0.10 0.15 0.00 -0.55 0.00 0.00 56.30 56.08 1x5e h ASN 103 Cb 0.20 0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1x5e h ASN 103 CO -0.45 0.00 0.55 0.15 -1.65 0.00 0.00 177.43 176.03 1x5e h PHE 104 N 0.22 0.00 0.00 1.19 3.57 0.19 0.80 116.94 122.91 1x5e h PHE 104 Ca 0.27 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.77 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 -0.25 0.00 -0.67 -0.89 -2.23 0.00 0.00 178.31 174.27 1x5e n ILE 105 N -3.69 1.20 0.18 1.41 2.08 0.59 -3.02 119.36 118.11 1x5e n ILE 105 Ca 0.10 0.23 -0.14 0.00 0.56 0.00 0.00 62.75 63.49 1x5e n ILE 105 Cb 0.75 -2.21 -0.08 0.00 -0.75 0.00 0.00 39.64 37.36 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 -0.81 -0.38 -0.00 4.38 0.87 -0.30 -1.58 113.55 115.72 1x5e h SER 106 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1x5e h SER 106 Cb 0.67 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1x5e h SER 106 CO 0.00 -0.26 0.00 0.47 -0.53 0.00 0.00 176.83 176.51 1x5e n ASP 107 N -5.28 0.03 -3.60 6.23 9.92 0.28 -4.86 116.55 119.27 1x5e n ASP 107 Ca -0.10 -2.00 -0.29 0.00 -0.53 0.00 0.00 54.79 51.87 1x5e n ASP 107 Cb 0.19 -0.01 -0.06 0.00 -0.64 0.00 0.00 41.12 40.61 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 -0.49 -0.80 -0.16 -1.24 5.02 -0.60 -4.66 118.16 115.24 1x5e n LYS 108 Ca 0.00 0.10 0.29 0.00 -2.02 0.00 0.00 58.31 56.68 1x5e n LYS 108 Cb 0.00 -3.24 0.68 0.00 -0.02 0.00 0.00 35.03 32.46 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 -0.60 0.00 -1.02 1.97 5.08 -1.61 0.21 114.58 118.61 1x5e h GLU 109 Ca -0.41 0.00 0.29 0.00 -1.00 0.00 0.00 59.36 58.23 1x5e h GLU 109 Cb 0.95 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.15 1x5e h GLU 109 CO 0.62 0.00 0.72 0.11 -1.00 0.00 0.00 179.01 179.46 1x5e h TRP 110 N 0.00 0.14 -0.91 4.33 5.08 -1.83 0.22 115.95 122.98 1x5e h TRP 110 Ca 0.43 0.00 0.16 0.00 1.08 0.00 0.00 58.89 60.56 1x5e h TRP 110 Cb 2.04 -0.04 -0.07 0.00 -3.00 0.00 0.00 29.16 28.08 1x5e h TRP 110 CO 0.00 0.02 0.58 0.87 -1.28 0.00 0.00 178.44 178.63 1x5e h LYS 111 N 0.09 0.64 0.00 0.12 1.57 -0.91 0.24 116.57 118.32 1x5e h LYS 111 Ca 0.50 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 59.19 1x5e h LYS 111 Cb 1.84 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 34.00 1x5e h LYS 111 CO -0.06 0.43 -0.27 0.77 -0.57 0.00 0.00 179.45 179.75 1x5e h SER 112 N 0.66 0.00 -3.42 0.86 0.02 -0.77 -3.42 113.55 107.48 1x5e h SER 112 Ca 0.46 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.87 1x5e h SER 112 Cb 0.80 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.30 1x5e h SER 112 CO -0.22 0.27 0.18 -0.63 -1.14 0.00 0.00 176.83 175.28 1x5e s ILE 113 N -4.11 4.81 -0.15 3.27 1.01 0.85 -5.01 121.20 121.87 1x5e s ILE 113 Ca -0.02 1.66 -0.29 0.00 0.00 0.00 0.00 60.65 61.99 1x5e s ILE 113 Cb 0.13 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 1x5e s ILE 113 CO 0.67 0.31 1.43 -1.61 0.00 0.00 0.00 174.94 175.74 1x5e s GLU 114 N 0.26 4.14 0.73 2.79 2.02 -1.26 -4.97 118.70 122.41 1x5e s GLU 114 Ca 0.40 1.80 -0.12 0.00 0.02 0.00 0.00 54.97 57.07 1x5e s GLU 114 Cb -0.20 -3.87 0.04 0.00 0.10 0.00 0.00 34.13 30.19 1x5e s GLU 114 CO 0.23 -0.85 1.10 -1.25 0.02 0.00 0.00 175.26 174.51 1x5e s PRO 115 N 3.85 2.45 0.27 0.39 0.04 -1.26 -4.68 135.00 136.06 1x5e s PRO 115 Ca 0.63 1.25 -0.08 0.00 0.04 0.00 0.00 61.00 62.83 1x5e s PRO 115 Cb -0.25 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.31 1x5e s PRO 115 CO 0.22 -1.50 0.56 0.14 0.04 0.00 0.00 177.00 176.46 1x5e s VAL 116 N -2.70 4.96 -0.31 -0.36 -7.23 -1.16 -5.02 120.40 108.58 1x5e s VAL 116 Ca 0.63 0.31 0.12 0.00 -1.81 0.00 0.00 61.98 61.23 1x5e s VAL 116 Cb -0.18 -3.67 0.47 0.00 0.56 0.00 0.00 36.38 33.55 1x5e s VAL 116 CO 0.51 -0.21 1.13 -1.20 -0.31 0.00 0.00 175.10 175.02 1x5e n SER 117 N -0.55 3.63 -3.49 4.85 7.64 -1.26 -4.50 113.62 119.94 1x5e n SER 117 Ca -0.00 -3.17 -0.27 0.00 1.01 0.00 0.00 58.87 56.44 1x5e n SER 117 Cb 0.53 -0.42 -0.10 0.00 -1.01 0.00 0.00 64.21 63.22 1x5e n SER 117 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x5e n SER 118 N -0.58 0.71 -3.96 6.43 7.64 -1.26 -5.04 113.62 117.56 1x5e n SER 118 Ca 0.30 -2.69 -0.30 0.00 1.01 0.00 0.00 58.87 57.19 1x5e n SER 118 Cb 0.86 -0.62 -0.14 0.00 -1.01 0.00 0.00 64.21 63.30 1x5e n SER 118 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 1x5e s TRP 119 N -0.64 3.26 -0.69 1.43 -0.11 -1.26 -5.04 118.94 115.90 1x5e s TRP 119 Ca 0.32 -3.08 -0.04 0.00 1.22 0.00 0.00 56.10 54.52 1x5e s TRP 119 Cb 0.04 -2.79 0.18 0.00 -1.50 0.00 0.00 33.47 29.40 1x5e s TRP 119 CO -0.17 -0.80 0.53 0.12 -4.62 0.00 0.00 176.95 172.01 1x5e s PHE 120 N 0.07 3.51 -0.03 5.86 2.19 -1.26 -5.03 117.98 123.29 1x5e s PHE 120 Ca 0.15 -2.72 -0.01 0.00 0.33 0.00 0.00 56.93 54.68 1x5e s PHE 120 Cb -0.24 -3.25 0.03 0.00 -1.31 0.00 0.00 43.02 38.25 1x5e s PHE 120 CO -0.02 -0.83 0.05 0.45 1.83 0.00 0.00 175.22 176.69 1x5e s SER 121 N 0.62 0.64 0.00 6.13 0.15 -1.26 -5.12 113.70 114.86 1x5e s SER 121 Ca 0.19 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.90 1x5e s SER 121 Cb -0.17 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 1x5e s SER 121 CO -0.05 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1x5e n GLY 122 N 4.78 2.86 3.77 9.45 0.00 -1.26 -5.16 105.19 119.64 1x5e n GLY 122 Ca -0.15 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 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 3.64 2.72 -0.92 1.61 0.04 -1.26 -4.95 135.00 135.89 1x5e s PRO 123 Ca 0.00 1.36 -0.24 0.00 0.04 0.00 0.00 61.00 62.16 1x5e s PRO 123 Cb 0.00 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.65 1x5e s PRO 123 CO 0.00 -1.30 1.36 -1.12 0.04 0.00 0.00 177.00 175.98 1x5e s SER 124 N -2.71 6.39 -0.26 6.66 0.01 -1.26 -4.74 113.70 117.79 1x5e s SER 124 Ca 0.66 -1.17 -0.04 0.00 1.31 0.00 0.00 55.95 56.72 1x5e s SER 124 Cb -0.20 -2.55 -0.15 0.00 0.21 0.00 0.00 66.02 63.33 1x5e s SER 124 CO 0.44 -1.58 -0.27 -1.54 0.41 0.00 0.00 173.24 170.70 1x5e n SER 125 N 8.84 1.98 0.00 2.44 3.41 -1.26 -5.35 113.62 123.69 1x5e n SER 125 Ca 0.22 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1x5e n SER 125 Cb 0.50 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1x5e n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49