#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p2e s LYS 4 N 0.00 0.78 -0.02 3.23 1.02 -0.23 -2.42 119.74 122.10 2p2e s LYS 4 Ca 0.00 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.20 2p2e s LYS 4 Cb 0.00 -0.73 0.01 0.00 -0.52 0.00 0.00 37.83 36.59 2p2e s LYS 4 CO 0.00 0.17 -0.04 0.42 -0.92 0.00 0.00 175.35 174.98 2p2e s ILE 5 N -1.08 0.44 -0.19 2.17 1.01 -0.57 -4.19 121.20 118.78 2p2e s ILE 5 Ca -0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 60.65 60.43 2p2e s ILE 5 Cb -0.09 -0.43 -0.03 0.00 0.01 0.00 0.00 42.46 41.92 2p2e s ILE 5 CO 0.01 0.17 0.02 -0.89 0.00 0.00 0.00 174.94 174.25 2p2e s THR 6 N 0.48 4.18 -0.24 2.92 2.01 -1.26 -3.82 115.64 119.91 2p2e s THR 6 Ca -0.06 -0.24 -0.06 0.00 0.31 0.00 0.00 61.69 61.64 2p2e s THR 6 Cb -0.09 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 2p2e s THR 6 CO -0.00 0.44 0.02 -0.69 -0.69 0.00 0.00 174.62 173.69 2p2e s VAL 7 N 0.80 3.87 1.08 3.82 1.01 -1.26 -1.54 120.40 128.19 2p2e s VAL 7 Ca 0.01 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 2p2e s VAL 7 Cb -0.14 -2.79 0.24 0.00 0.00 0.00 0.00 36.38 33.68 2p2e s VAL 7 CO 0.02 0.38 1.06 0.42 0.00 0.00 0.00 175.10 176.98 2p2e s THR 8 N 1.55 2.09 0.13 3.92 -4.23 -0.95 -4.68 115.64 113.46 2p2e s THR 8 Ca 0.06 0.03 -0.17 0.00 -1.18 0.00 0.00 61.69 60.43 2p2e s THR 8 Cb -0.15 -2.13 -0.02 0.00 1.34 0.00 0.00 72.50 71.54 2p2e s THR 8 CO 0.00 -0.04 1.72 0.44 -0.54 0.00 0.00 174.62 176.21 2p2e h ASP 9 N -2.35 0.43 -0.56 3.99 3.32 -1.99 -0.68 116.42 118.58 2p2e h ASP 9 Ca -0.56 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.38 2p2e h ASP 9 Cb 1.31 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 2p2e h ASP 9 CO 0.49 0.40 0.31 0.44 -1.72 0.00 0.00 179.24 179.16 2p2e h ASP 10 N 0.42 0.73 -0.16 6.45 3.32 -1.97 -1.28 116.42 123.93 2p2e h ASP 10 Ca 0.12 -0.06 -0.22 0.00 0.02 0.00 0.00 57.03 56.89 2p2e h ASP 10 Cb 0.08 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.45 2p2e h ASP 10 CO -0.02 0.60 -0.75 0.00 -1.72 0.00 0.00 179.24 177.35 2p2e h ALA 11 N 1.52 0.31 -0.53 3.45 0.00 -1.81 -2.72 119.26 119.48 2p2e h ALA 11 Ca 0.21 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 2p2e h ALA 11 Cb 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2p2e h ALA 11 CO -0.03 0.66 0.12 0.00 0.00 0.00 0.00 179.25 180.00 2p2e h ALA 12 N 0.55 0.70 -0.76 0.00 0.00 -0.87 -2.32 119.26 116.56 2p2e h ALA 12 Ca -0.05 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.70 2p2e h ALA 12 Cb 1.38 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 2p2e h ALA 12 CO 0.16 0.41 0.45 -0.22 0.00 0.00 0.00 179.25 180.04 2p2e h LYS 13 N 0.75 0.79 0.00 0.00 1.63 -1.23 0.16 116.57 118.67 2p2e h LYS 13 Ca 0.17 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 2p2e h LYS 13 Cb 0.35 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 2p2e h LYS 13 CO 0.00 0.52 0.00 -0.22 -3.45 0.00 0.00 179.45 176.31 2p2e h LYS 14 N 0.82 0.00 -0.02 1.90 3.64 -1.14 -2.18 116.57 119.60 2p2e h LYS 14 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2p2e h LYS 14 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2p2e h LYS 14 CO -0.18 0.00 -0.31 1.28 -2.27 0.00 0.00 179.45 177.97 2p2e n LEU 15 N -2.46 1.96 -0.18 5.20 4.77 0.11 -4.59 117.00 121.81 2p2e n LEU 15 Ca 0.01 -0.81 -0.01 0.00 -0.03 0.00 0.00 56.01 55.17 2p2e n LEU 15 Cb 0.24 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.42 2p2e n LEU 15 CO 0.21 0.36 0.92 -0.61 -1.33 0.00 0.00 177.39 176.94 2p2e h GLN 16 N 2.43 0.25 -0.02 3.23 4.15 -0.11 -1.14 115.11 123.90 2p2e h GLN 16 Ca 0.00 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.41 2p2e h GLN 16 Cb 0.67 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.30 2p2e h GLN 16 CO 0.00 0.17 0.21 0.00 -1.93 0.00 0.00 178.83 177.28 2p2e h ARG 17 N 0.26 0.00 0.00 1.69 2.47 -1.81 -0.54 114.38 116.45 2p2e h ARG 17 Ca 0.28 0.00 -0.44 0.00 -1.26 0.00 0.00 59.98 58.57 2p2e h ARG 17 Cb 0.40 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.65 2p2e h ARG 17 CO -0.36 0.00 -2.52 0.66 0.56 0.00 0.00 179.97 178.31 2p2e n TYR 18 N -3.02 0.00 0.32 3.04 4.01 -0.52 -4.31 117.16 116.68 2p2e n TYR 18 Ca -0.02 0.00 0.21 0.00 -0.16 0.00 0.00 57.90 57.93 2p2e n TYR 18 Cb 0.27 -0.99 1.08 0.00 -0.31 0.00 0.00 39.34 39.39 2p2e n TYR 18 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 2p2e h THR 19 N -0.61 0.08 0.00 -0.72 1.35 -1.00 -0.13 112.91 111.88 2p2e h THR 19 Ca -0.65 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 2p2e h THR 19 Cb 1.72 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 2p2e h THR 19 CO -0.30 0.01 0.00 0.47 -0.25 0.00 0.00 175.52 175.45 2p2e n ASP 20 N -3.18 0.41 -4.47 5.36 8.00 -0.24 -4.55 116.55 117.88 2p2e n ASP 20 Ca -0.02 0.57 -0.43 0.00 0.71 0.00 0.00 54.79 55.62 2p2e n ASP 20 Cb 0.12 -0.67 -0.04 0.00 -0.02 0.00 0.00 41.12 40.52 2p2e n ASP 20 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2p2e s ASP 21 N -3.77 6.24 0.50 -2.24 -1.08 -0.06 -4.88 116.67 111.38 2p2e s ASP 21 Ca 0.09 -1.07 0.34 0.00 -0.52 0.00 0.00 52.55 51.39 2p2e s ASP 21 Cb 0.12 -2.44 1.47 0.00 -1.46 0.00 0.00 42.92 40.62 2p2e s ASP 21 CO 0.45 -1.45 1.74 0.28 0.52 0.00 0.00 175.17 176.71 2p2e h SER 22 N 9.55 0.12 -0.30 -0.34 0.02 -1.86 1.25 113.55 122.00 2p2e h SER 22 Ca -0.21 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2p2e h SER 22 Cb 1.06 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2p2e h SER 22 CO 1.20 -0.01 0.00 -3.20 -1.14 0.00 0.00 176.83 173.68 2p2e n ASN 23 N -4.30 1.68 -4.73 3.07 2.85 -1.26 -4.90 115.26 107.67 2p2e n ASN 23 Ca 0.30 -1.97 -0.33 0.00 -0.11 0.00 0.00 54.58 52.47 2p2e n ASN 23 Cb 1.31 -0.20 -0.08 0.00 1.24 0.00 0.00 39.78 42.05 2p2e n ASN 23 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2p2e s ALA 24 N -1.60 3.41 -0.00 5.20 0.00 0.43 -1.74 121.76 127.46 2p2e s ALA 24 Ca 0.22 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.33 2p2e s ALA 24 Cb 0.12 -1.46 -0.01 0.00 0.00 0.00 0.00 23.12 21.76 2p2e s ALA 24 CO 0.16 0.66 -0.15 0.08 0.00 0.00 0.00 175.76 176.51 2p2e s VAL 25 N -1.11 1.17 -0.11 0.00 1.01 -0.59 -4.90 120.40 115.87 2p2e s VAL 25 Ca 0.20 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 2p2e s VAL 25 Cb -0.12 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 2p2e s VAL 25 CO 0.11 0.27 0.10 -0.76 0.00 0.00 0.00 175.10 174.82 2p2e s LEU 26 N -0.50 4.13 -0.04 3.92 1.43 -1.26 -2.09 118.68 124.28 2p2e s LEU 26 Ca 0.05 0.36 0.04 0.00 -1.03 0.00 0.00 54.13 53.55 2p2e s LEU 26 Cb -0.06 -1.99 -0.00 0.00 0.03 0.00 0.00 46.19 44.17 2p2e s LEU 26 CO -0.00 0.39 -0.15 -0.76 0.23 0.00 0.00 176.35 176.07 2p2e s LEU 27 N -0.95 1.88 -0.69 1.79 1.43 0.57 -0.79 118.68 121.92 2p2e s LEU 27 Ca 0.14 -0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 52.79 2p2e s LEU 27 Cb -0.12 -0.84 0.18 0.00 0.03 0.00 0.00 46.19 45.44 2p2e s LEU 27 CO 0.03 0.13 0.63 -0.22 0.23 0.00 0.00 176.35 177.15 2p2e s LEU 28 N 0.07 6.47 0.12 1.79 2.96 -0.02 -0.90 118.68 129.18 2p2e s LEU 28 Ca -0.03 -2.26 -0.17 0.00 -0.22 0.00 0.00 54.13 51.45 2p2e s LEU 28 Cb -0.10 -2.20 -0.07 0.00 0.50 0.00 0.00 46.19 44.31 2p2e s LEU 28 CO 0.02 -0.71 0.58 -0.62 -1.32 0.00 0.00 176.35 174.30 2p2e s ASP 29 N 2.84 6.96 -0.41 3.68 2.15 -0.10 -4.49 116.67 127.29 2p2e s ASP 29 Ca 0.11 1.20 -0.10 0.00 0.43 0.00 0.00 52.55 54.19 2p2e s ASP 29 Cb -0.20 -2.34 0.07 0.00 -0.30 0.00 0.00 42.92 40.15 2p2e s ASP 29 CO -0.03 0.17 0.26 0.12 -0.17 0.00 0.00 175.17 175.52 2p2e s PHE 30 N -1.32 3.31 -1.03 -5.34 5.36 -1.26 -1.88 117.98 115.82 2p2e s PHE 30 Ca 0.35 -1.35 -0.24 0.00 -0.96 0.00 0.00 56.93 54.73 2p2e s PHE 30 Cb -0.17 -2.87 -0.07 0.00 -0.34 0.00 0.00 43.02 39.57 2p2e s PHE 30 CO 0.19 -0.80 1.96 0.34 -1.46 0.00 0.00 175.22 175.45 2p2e s ASP 31 N 2.05 5.00 0.00 6.13 -1.08 0.21 -4.55 116.67 124.44 2p2e s ASP 31 Ca 0.03 -1.11 0.00 0.00 -0.52 0.00 0.00 52.55 50.94 2p2e s ASP 31 Cb -0.22 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.66 2p2e s ASP 31 CO 0.04 -2.99 0.57 -0.90 0.52 0.00 0.00 175.17 172.41 2p2e n ASP 32 N 14.47 0.79 0.00 -0.34 5.68 -1.26 0.56 116.55 136.44 2p2e n ASP 32 Ca 0.42 -1.32 0.00 0.00 -0.50 0.00 0.00 54.79 53.40 2p2e n ASP 32 Cb 0.47 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 2p2e n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2p2e n GLY 33 N -0.16 1.73 3.74 6.12 0.00 -1.26 -4.95 105.19 110.42 2p2e n GLY 33 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2p2e n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2p2e s VAL 34 N -2.77 4.83 0.00 1.61 1.01 -1.26 -4.81 120.40 119.02 2p2e s VAL 34 Ca 0.00 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.50 2p2e s VAL 34 Cb 0.00 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.31 2p2e s VAL 34 CO 0.00 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2p2e n GLY 35 N 2.56 2.90 0.30 4.51 0.00 -1.26 -4.60 105.19 109.61 2p2e n GLY 35 Ca -0.03 -1.71 0.03 0.00 0.00 0.00 0.00 46.02 44.31 2p2e n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p2e h ALA 36 N 0.00 1.63 0.00 4.61 0.00 -1.91 -2.34 119.26 121.24 2p2e h ALA 36 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2p2e h ALA 36 Cb 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2p2e h ALA 36 CO 0.00 0.31 -0.14 -0.07 0.00 0.00 0.00 179.25 179.35 2p2e h LEU 37 N 0.53 0.00 -1.91 0.00 4.07 -1.88 -0.94 115.31 115.17 2p2e h LEU 37 Ca 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 2p2e h LEU 37 Cb 0.04 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.78 2p2e h LEU 37 CO -0.02 0.14 -0.11 -1.28 -1.08 0.00 0.00 178.44 176.09 2p2e h SER 38 N 0.00 0.00 0.45 -0.43 0.87 -1.67 -0.73 113.55 112.04 2p2e h SER 38 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2p2e h SER 38 Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2p2e h SER 38 CO 0.02 0.11 0.00 0.29 -0.53 0.00 0.00 176.83 176.72 2p2e n LYS 39 N -4.08 0.29 -4.72 2.24 4.01 -0.36 -4.64 118.16 110.91 2p2e n LYS 39 Ca -0.02 0.08 -0.33 0.00 -0.51 0.00 0.00 58.31 57.52 2p2e n LYS 39 Cb 0.19 -1.50 -0.12 0.00 -0.51 0.00 0.00 35.03 33.09 2p2e n LYS 39 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2p2e s VAL 40 N -2.60 3.43 0.48 -0.18 1.01 -0.28 -5.04 120.40 117.21 2p2e s VAL 40 Ca 0.20 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.61 2p2e s VAL 40 Cb 0.15 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 34.14 2p2e s VAL 40 CO 0.35 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.64 2p2e n GLY 41 N 2.47 -2.58 3.39 4.51 0.00 -1.26 -4.88 105.19 106.83 2p2e n GLY 41 Ca -0.18 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.37 2p2e n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2p2e n VAL 42 N -4.34 1.43 -3.37 1.61 0.31 -1.26 -4.97 118.33 107.74 2p2e n VAL 42 Ca -0.03 -0.45 -0.11 0.00 -0.01 0.00 0.00 64.34 63.74 2p2e n VAL 42 Cb 0.68 -0.52 -0.08 0.00 -0.91 0.00 0.00 33.84 33.01 2p2e n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2p2e s SER 44 N 2.51 6.94 0.00 0.00 0.01 -1.26 -4.91 113.70 116.99 2p2e s SER 44 Ca 0.11 -2.89 -0.01 0.00 1.31 0.00 0.00 55.95 54.47 2p2e s SER 44 Cb -0.15 -2.25 -0.06 0.00 0.21 0.00 0.00 66.02 63.77 2p2e s SER 44 CO -0.18 -0.57 1.17 0.18 0.41 0.00 0.00 173.24 174.25 2p2e n LEU 45 N 4.09 1.52 -1.97 2.44 4.77 -1.26 -4.17 117.00 122.42 2p2e n LEU 45 Ca 0.20 -1.11 -0.08 0.00 -0.03 0.00 0.00 56.01 54.99 2p2e n LEU 45 Cb 0.45 -0.39 0.27 0.00 -2.33 0.00 0.00 43.42 41.42 2p2e n LEU 45 CO 0.42 0.18 1.03 -0.46 -1.33 0.00 0.00 177.39 177.23 2p2e n ASN 46 N 2.58 4.50 -3.84 -1.43 6.94 -1.22 -4.82 115.26 117.97 2p2e n ASN 46 Ca 0.09 -3.18 -0.31 0.00 -0.02 0.00 0.00 54.58 51.16 2p2e n ASN 46 Cb 0.23 -0.75 0.01 0.00 -2.36 0.00 0.00 39.78 36.92 2p2e n ASN 46 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2p2e n SER 47 N -0.25 -4.81 -4.31 0.53 3.41 0.19 -4.98 113.62 103.40 2p2e n SER 47 Ca 0.41 -1.04 -0.17 0.00 -0.26 0.00 0.00 58.87 57.82 2p2e n SER 47 Cb 1.36 -1.98 -0.10 0.00 -0.26 0.00 0.00 64.21 63.23 2p2e n SER 47 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2p2e s ASP 48 N -3.20 2.05 0.27 4.04 1.01 -1.22 -4.82 116.67 114.80 2p2e s ASP 48 Ca 0.20 -1.10 -0.24 0.00 0.71 0.00 0.00 52.55 52.12 2p2e s ASP 48 Cb -0.10 -0.04 -0.09 0.00 1.01 0.00 0.00 42.92 43.69 2p2e s ASP 48 CO 0.91 -0.36 0.86 -0.36 0.21 0.00 0.00 175.17 176.43 2p2e s PHE 49 N -3.26 3.71 0.05 4.23 0.08 -1.26 -0.61 117.98 120.92 2p2e s PHE 49 Ca 0.23 1.65 -0.27 0.00 0.12 0.00 0.00 56.93 58.66 2p2e s PHE 49 Cb 0.03 -2.82 0.08 0.00 -0.57 0.00 0.00 43.02 39.75 2p2e s PHE 49 CO 0.05 0.29 0.71 -0.98 -0.10 0.00 0.00 175.22 175.20 2p2e s ARG 50 N -1.91 1.07 -0.20 0.44 1.70 -0.79 -4.62 118.95 114.65 2p2e s ARG 50 Ca 0.46 -0.21 -0.12 0.00 -0.47 0.00 0.00 55.73 55.39 2p2e s ARG 50 Cb -0.19 0.50 -0.05 0.00 -0.57 0.00 0.00 34.95 34.64 2p2e s ARG 50 CO 0.23 -0.43 0.22 0.42 -1.08 0.00 0.00 175.30 174.67 2p2e s ILE 51 N -2.78 5.34 -0.02 4.99 -1.09 -0.50 -0.92 121.20 126.22 2p2e s ILE 51 Ca -0.01 0.37 0.05 0.00 -2.23 0.00 0.00 60.65 58.83 2p2e s ILE 51 Cb -0.01 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.28 2p2e s ILE 51 CO -0.05 0.37 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.10 2p2e s LEU 52 N 0.72 2.60 -0.13 2.97 1.02 -0.07 0.30 118.68 126.09 2p2e s LEU 52 Ca 0.12 -0.30 0.02 0.00 0.02 0.00 0.00 54.13 53.99 2p2e s LEU 52 Cb -0.13 -1.52 0.01 0.00 0.02 0.00 0.00 46.19 44.58 2p2e s LEU 52 CO 0.03 0.32 -0.19 0.54 0.02 0.00 0.00 176.35 177.06 2p2e s VAL 53 N -0.77 1.81 0.45 -1.59 0.11 0.19 -0.32 120.40 120.29 2p2e s VAL 53 Ca 0.12 -0.83 0.02 0.00 -2.93 0.00 0.00 61.98 58.36 2p2e s VAL 53 Cb -0.10 -1.62 -0.01 0.00 -1.53 0.00 0.00 36.38 33.11 2p2e s VAL 53 CO 0.02 0.50 0.08 1.33 -3.33 0.00 0.00 175.10 173.70 2p2e n VAL 54 N 4.14 0.00 -4.12 2.04 0.24 -0.89 -0.45 118.33 119.29 2p2e n VAL 54 Ca -0.19 -2.36 -0.23 0.00 -2.04 0.00 0.00 64.34 59.52 2p2e n VAL 54 Cb 0.51 0.68 -0.05 0.00 -1.47 0.00 0.00 33.84 33.51 2p2e n VAL 54 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2p2e s SER 55 N -3.60 5.46 0.00 -1.34 0.01 -1.26 -1.53 113.70 111.43 2p2e s SER 55 Ca 0.11 -0.24 0.09 0.00 1.31 0.00 0.00 55.95 57.23 2p2e s SER 55 Cb 0.01 -1.38 0.56 0.00 0.21 0.00 0.00 66.02 65.42 2p2e s SER 55 CO 0.08 -0.00 0.99 0.29 0.41 0.00 0.00 173.24 175.00 2p2e n LYS 56 N -0.89 0.34 -1.67 12.44 5.02 -0.71 -4.83 118.16 127.86 2p2e n LYS 56 Ca -0.08 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.85 2p2e n LYS 56 Cb 0.57 -1.43 0.03 0.00 -0.02 0.00 0.00 35.03 34.18 2p2e n LYS 56 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2p2e n ASP 57 N -0.93 7.35 -3.85 4.39 5.75 -1.26 -5.05 116.55 122.95 2p2e n ASP 57 Ca 0.07 -3.69 -0.29 0.00 -0.01 0.00 0.00 54.79 50.87 2p2e n ASP 57 Cb 0.03 -1.08 -0.13 0.00 -1.03 0.00 0.00 41.12 38.92 2p2e n ASP 57 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2p2e s ASP 59 N -0.94 4.15 -0.01 -1.12 2.15 -1.26 -5.13 116.67 114.51 2p2e s ASP 59 Ca 0.55 -3.17 0.09 0.00 0.43 0.00 0.00 52.55 50.45 2p2e s ASP 59 Cb 0.44 -1.44 -0.13 0.00 -0.30 0.00 0.00 42.92 41.49 2p2e s ASP 59 CO -0.28 -0.19 0.29 0.00 -0.17 0.00 0.00 175.17 174.82 2p2e n TYR 60 N 2.87 0.00 0.50 -5.34 0.18 -1.26 -4.64 117.16 109.48 2p2e n TYR 60 Ca 0.11 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.69 2p2e n TYR 60 Cb 0.34 -0.12 -0.10 0.00 -0.38 0.00 0.00 39.34 39.08 2p2e n TYR 60 CO 0.00 0.00 0.00 0.87 -2.08 0.00 0.00 176.86 175.65 2p2e h LYS 61 N 0.00 -1.24 -0.87 -3.48 1.79 -2.00 0.23 116.57 110.99 2p2e h LYS 61 Ca 0.00 0.08 0.22 0.00 -2.18 0.00 0.00 60.65 58.78 2p2e h LYS 61 Cb 0.34 0.28 -0.13 0.00 -1.58 0.00 0.00 32.23 31.14 2p2e h LYS 61 CO 0.00 -0.83 0.31 -0.22 -1.08 0.00 0.00 179.45 177.63 2p2e h LYS 62 N -1.29 0.29 0.00 3.15 3.64 -1.99 -3.08 116.57 117.28 2p2e h LYS 62 Ca -0.13 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 2p2e h LYS 62 Cb 0.99 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2p2e h LYS 62 CO 0.20 0.19 -0.37 -0.44 -2.27 0.00 0.00 179.45 176.76 2p2e h ASP 63 N 0.30 0.00 -0.39 4.20 3.32 -1.85 -3.39 116.42 118.61 2p2e h ASP 63 Ca 0.55 -0.13 -0.70 0.00 0.02 0.00 0.00 57.03 56.76 2p2e h ASP 63 Cb 1.07 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.56 2p2e h ASP 63 CO -0.58 0.76 2.74 -1.22 -1.72 0.00 0.00 179.24 179.22 2p2e n TYR 64 N -4.66 3.94 1.59 4.55 4.01 0.81 -4.10 117.16 123.31 2p2e n TYR 64 Ca -0.07 -2.93 0.14 0.00 -0.16 0.00 0.00 57.90 54.88 2p2e n TYR 64 Cb 0.23 -2.56 0.61 0.00 -0.31 0.00 0.00 39.34 37.32 2p2e n TYR 64 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2p2e n ASN 65 N 6.82 1.08 -4.34 7.72 6.94 -1.02 -4.36 115.26 128.11 2p2e n ASN 65 Ca 0.50 -1.30 -0.18 0.00 -0.02 0.00 0.00 54.58 53.58 2p2e n ASN 65 Cb 0.41 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.74 2p2e n ASN 65 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2p2e s GLU 66 N -2.06 1.30 0.14 -3.83 2.02 -0.64 -4.90 118.70 110.74 2p2e s GLU 66 Ca 0.39 -1.56 0.11 0.00 0.02 0.00 0.00 54.97 53.92 2p2e s GLU 66 Cb 0.21 -1.10 -0.04 0.00 0.10 0.00 0.00 34.13 33.30 2p2e s GLU 66 CO 0.36 0.18 -0.26 0.08 0.02 0.00 0.00 175.26 175.65 2p2e s VAL 67 N -2.91 2.22 -0.12 2.63 1.01 -1.26 -1.06 120.40 120.91 2p2e s VAL 67 Ca 0.21 -1.78 0.03 0.00 0.00 0.00 0.00 61.98 60.45 2p2e s VAL 67 Cb -0.01 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.40 2p2e s VAL 67 CO 0.06 0.05 -0.22 -0.63 0.00 0.00 0.00 175.10 174.36 2p2e s ILE 68 N -1.15 2.03 0.29 2.22 1.01 0.36 -4.57 121.20 121.39 2p2e s ILE 68 Ca 0.14 -0.98 -0.24 0.00 0.00 0.00 0.00 60.65 59.57 2p2e s ILE 68 Cb -0.10 -1.79 -0.09 0.00 0.01 0.00 0.00 42.46 40.49 2p2e s ILE 68 CO 0.06 0.55 0.88 -1.81 0.00 0.00 0.00 174.94 174.62 2p2e s ASP 69 N 0.65 7.27 0.17 3.58 1.01 -1.02 -2.14 116.67 126.19 2p2e s ASP 69 Ca -0.11 1.72 -0.18 0.00 0.71 0.00 0.00 52.55 54.69 2p2e s ASP 69 Cb -0.16 -2.53 0.04 0.00 1.01 0.00 0.00 42.92 41.27 2p2e s ASP 69 CO 0.02 -0.03 0.49 -0.94 0.21 0.00 0.00 175.17 174.92 2p2e s SER 70 N -1.61 -0.30 0.00 0.27 1.04 -1.12 -1.51 113.70 110.48 2p2e s SER 70 Ca 0.48 -0.35 0.19 0.00 0.48 0.00 0.00 55.95 56.74 2p2e s SER 70 Cb -0.18 0.55 0.97 0.00 0.10 0.00 0.00 66.02 67.45 2p2e s SER 70 CO 0.23 -0.97 1.56 -0.46 0.98 0.00 0.00 173.24 174.58 2p2e n ASN 71 N -0.31 0.00 -0.08 7.02 6.94 -1.25 -2.64 115.26 124.95 2p2e n ASN 71 Ca -0.13 -0.07 0.03 0.00 -0.02 0.00 0.00 54.58 54.39 2p2e n ASN 71 Cb 0.63 -0.24 0.05 0.00 -2.36 0.00 0.00 39.78 37.86 2p2e n ASN 71 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 2p2e n ILE 72 N -1.24 1.29 0.00 1.53 -5.35 -1.26 -5.05 119.36 109.28 2p2e n ILE 72 Ca 0.10 -1.39 0.00 0.00 -0.27 0.00 0.00 62.75 61.19 2p2e n ILE 72 Cb 0.14 0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.30 2p2e n ILE 72 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2p2e n GLY 73 N -0.72 0.41 3.90 3.28 0.00 -1.08 -4.98 105.19 105.99 2p2e n GLY 73 Ca 0.06 -2.24 -0.28 0.00 0.00 0.00 0.00 46.02 43.55 2p2e n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p2e s LYS 74 N -0.31 3.64 -0.10 1.61 1.02 -1.26 -2.79 119.74 121.55 2p2e s LYS 74 Ca 0.00 0.11 0.00 0.00 0.02 0.00 0.00 55.97 56.10 2p2e s LYS 74 Cb 0.00 -2.55 0.02 0.00 -0.52 0.00 0.00 37.83 34.78 2p2e s LYS 74 CO 0.00 0.10 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.38 2p2e s PHE 75 N -2.25 1.51 0.10 3.18 0.08 -0.91 -4.25 117.98 115.43 2p2e s PHE 75 Ca 0.46 -0.72 -0.02 0.00 0.12 0.00 0.00 56.93 56.76 2p2e s PHE 75 Cb -0.10 -1.21 -0.05 0.00 -0.57 0.00 0.00 43.02 41.08 2p2e s PHE 75 CO 0.32 -0.47 0.29 0.71 -0.10 0.00 0.00 175.22 175.97 2p2e s TYR 76 N 1.46 3.50 0.10 0.36 2.02 0.03 -0.49 117.35 124.33 2p2e s TYR 76 Ca 0.01 0.40 -0.17 0.00 -0.37 0.00 0.00 57.07 56.94 2p2e s TYR 76 Cb -0.13 -1.88 0.03 0.00 -0.40 0.00 0.00 41.96 39.58 2p2e s TYR 76 CO -0.06 0.52 0.40 1.52 -1.57 0.00 0.00 175.55 176.36 2p2e s TYR 77 N -1.57 -0.21 -0.03 2.71 -0.85 -0.22 -0.84 117.35 116.34 2p2e s TYR 77 Ca 0.37 -0.01 -0.30 0.00 -0.52 0.00 0.00 57.07 56.61 2p2e s TYR 77 Cb -0.13 0.24 -0.05 0.00 0.38 0.00 0.00 41.96 42.40 2p2e s TYR 77 CO 0.26 -0.65 1.40 0.15 -1.52 0.00 0.00 175.55 175.18 2p2e s LYS 78 N -3.36 4.27 0.08 -3.49 1.02 -1.26 -1.61 119.74 115.40 2p2e s LYS 78 Ca 0.00 1.93 -0.16 0.00 0.02 0.00 0.00 55.97 57.77 2p2e s LYS 78 Cb 0.01 -3.63 -0.04 0.00 -0.52 0.00 0.00 37.83 33.65 2p2e s LYS 78 CO -0.09 -0.61 1.16 0.41 -0.92 0.00 0.00 175.35 175.30 2p2e n GLY 79 N 3.67 -2.48 0.34 -3.33 0.00 -1.26 -1.73 105.19 100.40 2p2e n GLY 79 Ca 0.13 0.83 0.20 0.00 0.00 0.00 0.00 46.02 47.18 2p2e n GLY 79 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2p2e h TYR 80 N 0.00 0.96 0.00 1.61 -0.00 -1.94 0.11 116.97 117.71 2p2e h TYR 80 Ca 0.08 0.04 0.00 0.00 0.00 0.00 0.00 58.73 58.85 2p2e h TYR 80 Cb 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 36.73 36.68 2p2e h TYR 80 CO -0.87 -0.04 0.00 -1.13 -0.00 0.00 0.00 178.16 176.12 2p2e n SER 81 N -4.96 0.00 -2.29 0.10 3.41 -0.70 -4.54 113.62 104.64 2p2e n SER 81 Ca 0.28 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 2p2e n SER 81 Cb 0.83 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 2p2e n SER 81 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2p2e n LYS 82 N -1.34 0.00 -0.82 4.33 4.81 0.36 -5.02 118.16 120.48 2p2e n LYS 82 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 2p2e n LYS 82 Cb 0.02 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 33.77 2p2e n LYS 82 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2p2e n TYR 84 N 2.14 0.00 -3.89 5.64 4.01 -1.26 -5.03 117.16 118.76 2p2e n TYR 84 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 2p2e n TYR 84 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 38.94 2p2e n TYR 84 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2p2e s ASP 86 N -0.44 0.12 0.28 7.72 -1.08 -1.26 -5.08 116.67 116.92 2p2e s ASP 86 Ca 0.00 -0.46 0.02 0.00 -0.52 0.00 0.00 52.55 51.60 2p2e s ASP 86 Cb 0.00 0.25 0.40 0.00 -1.46 0.00 0.00 42.92 42.11 2p2e s ASP 86 CO 0.00 -0.52 1.72 0.44 0.52 0.00 0.00 175.17 177.33 2p2e h ASP 87 N 3.62 0.49 -4.29 -0.34 3.32 -1.96 -3.43 116.42 113.82 2p2e h ASP 87 Ca -0.32 -0.17 -0.53 0.00 0.02 0.00 0.00 57.03 56.03 2p2e h ASP 87 Cb 1.19 -0.13 -0.29 0.00 0.22 0.00 0.00 39.33 40.31 2p2e h ASP 87 CO 0.49 0.74 -0.83 0.21 -1.72 0.00 0.00 179.24 178.13 2p2e s ASN 88 N -6.81 1.96 -0.27 6.45 2.47 -1.26 -1.06 114.94 116.42 2p2e s ASN 88 Ca -0.07 -0.32 -0.26 0.00 0.42 0.00 0.00 52.86 52.64 2p2e s ASN 88 Cb 0.14 -0.21 0.14 0.00 -1.45 0.00 0.00 41.25 39.86 2p2e s ASN 88 CO 0.79 0.19 1.12 -0.75 -3.72 0.00 0.00 177.10 174.73 2p2e s LYS 90 N -0.46 0.42 -0.20 0.43 2.20 0.17 -1.36 119.74 120.94 2p2e s LYS 90 Ca 0.06 0.43 -0.00 0.00 -0.36 0.00 0.00 55.97 56.10 2p2e s LYS 90 Cb -0.07 0.20 0.01 0.00 -1.51 0.00 0.00 37.83 36.47 2p2e s LYS 90 CO -0.00 -0.06 -0.14 0.42 -0.36 0.00 0.00 175.35 175.20 2p2e s ILE 91 N 0.01 2.48 0.45 5.43 1.01 -0.59 -0.70 121.20 129.29 2p2e s ILE 91 Ca 0.04 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.86 2p2e s ILE 91 Cb -0.04 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 2p2e s ILE 91 CO -0.07 0.45 0.12 -0.94 0.00 0.00 0.00 174.94 174.50 2p2e s SER 92 N 1.33 3.16 -0.17 3.58 1.04 -0.56 -2.25 113.70 119.84 2p2e s SER 92 Ca 0.04 -1.74 -0.03 0.00 0.48 0.00 0.00 55.95 54.70 2p2e s SER 92 Cb -0.14 0.64 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 2p2e s SER 92 CO -0.09 -0.99 -0.05 -0.22 0.98 0.00 0.00 173.24 172.86 2p2e s LEU 93 N -3.69 3.07 0.36 2.42 2.96 -1.26 -0.43 118.68 122.11 2p2e s LEU 93 Ca 0.18 -0.23 -0.28 0.00 -0.22 0.00 0.00 54.13 53.57 2p2e s LEU 93 Cb 0.01 -1.75 -0.11 0.00 0.50 0.00 0.00 46.19 44.85 2p2e s LEU 93 CO 0.12 0.12 1.46 0.20 -1.32 0.00 0.00 176.35 176.93 2p2e s ASN 94 N 0.67 6.44 0.25 3.68 0.01 -0.22 -4.91 114.94 120.85 2p2e s ASN 94 Ca -0.03 2.96 0.16 0.00 -0.71 0.00 0.00 52.86 55.25 2p2e s ASN 94 Cb -0.15 -2.66 0.05 0.00 0.41 0.00 0.00 41.25 38.90 2p2e s ASN 94 CO 0.02 -0.81 1.34 0.71 -1.51 0.00 0.00 177.10 176.86 2p2e h THR 95 N 3.03 0.72 0.10 1.60 1.35 -1.98 -3.37 112.91 114.35 2p2e h THR 95 Ca -0.50 -2.06 -0.20 0.00 -0.55 0.00 0.00 66.41 63.09 2p2e h THR 95 Cb 1.23 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.96 2p2e h THR 95 CO 0.66 0.41 -0.99 0.78 -0.25 0.00 0.00 175.52 176.13 2p2e h ASN 96 N 0.00 0.32 -5.00 5.36 2.35 -1.96 -3.48 115.58 113.17 2p2e h ASN 96 Ca -0.03 -0.88 -0.64 0.00 -0.55 0.00 0.00 56.30 54.20 2p2e h ASN 96 Cb 1.38 -0.11 -0.12 0.00 0.05 0.00 0.00 38.32 39.52 2p2e h ASN 96 CO 0.06 1.44 -0.48 -0.46 -1.65 0.00 0.00 177.43 176.34 2p2e n ASN 97 N -4.14 2.92 -1.17 5.81 0.23 -1.26 -5.04 115.26 112.62 2p2e n ASN 97 Ca -0.20 -3.22 0.06 0.00 -0.53 0.00 0.00 54.58 50.70 2p2e n ASN 97 Cb 0.79 0.51 0.24 0.00 -2.08 0.00 0.00 39.78 39.24 2p2e n ASN 97 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2p2e n SER 98 N -1.35 3.38 -4.92 0.53 3.41 -1.26 -4.35 113.62 109.05 2p2e n SER 98 Ca -0.18 -2.33 -0.26 0.00 -0.26 0.00 0.00 58.87 55.84 2p2e n SER 98 Cb 0.64 -0.49 0.02 0.00 -0.26 0.00 0.00 64.21 64.12 2p2e n SER 98 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2p2e s LEU 99 N -1.43 3.44 0.55 1.04 1.43 -1.26 -4.88 118.68 117.56 2p2e s LEU 99 Ca 0.34 0.68 -0.02 0.00 -1.03 0.00 0.00 54.13 54.10 2p2e s LEU 99 Cb 0.22 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 42.91 2p2e s LEU 99 CO 0.15 -0.84 0.80 -0.76 0.23 0.00 0.00 176.35 175.93 2p2e s LEU 100 N -4.82 3.32 -0.00 1.79 1.43 -1.14 -1.06 118.68 118.20 2p2e s LEU 100 Ca 0.51 0.30 0.04 0.00 -1.03 0.00 0.00 54.13 53.95 2p2e s LEU 100 Cb -0.10 -3.14 -0.01 0.00 0.03 0.00 0.00 46.19 42.97 2p2e s LEU 100 CO 0.43 -1.05 -0.13 -0.60 0.23 0.00 0.00 176.35 175.24 2p2e s ARG 101 N -4.81 1.02 -0.25 1.70 3.52 0.43 0.36 118.95 120.92 2p2e s ARG 101 Ca 0.54 -0.51 0.02 0.00 -0.13 0.00 0.00 55.73 55.65 2p2e s ARG 101 Cb -0.10 -0.99 0.05 0.00 -1.56 0.00 0.00 34.95 32.34 2p2e s ARG 101 CO 0.41 0.27 -0.11 -1.17 -0.81 0.00 0.00 175.30 173.88 2p2e s LEU 102 N -0.43 3.22 0.19 -0.88 2.96 -1.26 -1.50 118.68 120.98 2p2e s LEU 102 Ca 0.04 -1.19 0.09 0.00 -0.22 0.00 0.00 54.13 52.85 2p2e s LEU 102 Cb -0.05 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 2p2e s LEU 102 CO -0.00 -0.15 -0.19 0.42 -1.32 0.00 0.00 176.35 175.11 2p2e s THR 103 N 1.17 1.97 0.11 3.68 -4.23 0.13 -0.57 115.64 117.90 2p2e s THR 103 Ca -0.05 -2.05 0.09 0.00 -1.18 0.00 0.00 61.69 58.50 2p2e s THR 103 Cb -0.18 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 2p2e s THR 103 CO -0.06 -0.35 -0.23 -0.83 -0.54 0.00 0.00 174.62 172.61 2p2e s GLY 104 N -2.89 1.36 0.58 3.99 0.00 0.12 0.46 107.32 110.94 2p2e s GLY 104 Ca 0.20 -1.33 0.28 0.00 0.00 0.00 0.00 44.72 43.86 2p2e s GLY 104 CO 0.08 -1.33 2.23 -0.55 0.00 0.00 0.00 173.10 173.54 2p2e h ASP 105 N 3.97 0.00 0.00 1.64 3.32 -1.52 -0.86 116.42 122.97 2p2e h ASP 105 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2p2e h ASP 105 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2p2e h ASP 105 CO 0.40 0.00 -0.80 0.59 -1.72 0.00 0.00 179.24 177.71 2p2e n ASN 106 N -3.93 2.31 -0.00 6.45 5.03 -1.26 -4.70 115.26 119.16 2p2e n ASN 106 Ca -0.03 -0.26 0.06 0.00 0.87 0.00 0.00 54.58 55.23 2p2e n ASN 106 Cb 0.10 1.13 -0.09 0.00 -1.02 0.00 0.00 39.78 39.90 2p2e n ASN 106 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2p2e n SER 107 N -1.43 1.68 0.00 6.41 7.64 -1.19 -5.10 113.62 121.63 2p2e n SER 107 Ca -0.00 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.69 2p2e n SER 107 Cb 0.11 1.45 0.00 0.00 -1.01 0.00 0.00 64.21 64.76 2p2e n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2p2e n GLY 108 N 1.65 0.07 3.66 0.23 0.00 -0.33 -4.74 105.19 105.73 2p2e n GLY 108 Ca -0.01 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 2p2e n GLY 108 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2p2e s GLU 109 N 0.00 4.17 0.00 1.61 2.02 -1.26 0.11 118.70 125.35 2p2e s GLU 109 Ca 0.00 2.33 0.25 0.00 0.02 0.00 0.00 54.97 57.57 2p2e s GLU 109 Cb 0.00 -3.99 0.40 0.00 0.10 0.00 0.00 34.13 30.64 2p2e s GLU 109 CO 0.00 -0.87 1.38 1.28 0.02 0.00 0.00 175.26 177.07 2p2e n LEU 110 N 7.07 2.74 0.00 1.80 4.77 0.26 -4.91 117.00 128.73 2p2e n LEU 110 Ca 0.18 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 2p2e n LEU 110 Cb 0.42 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2p2e n LEU 110 CO 0.64 0.48 -0.25 -0.81 -1.33 0.00 0.00 177.39 176.12 2p2e n PRO 112 N 1.12 2.29 -3.67 3.23 -0.04 -1.26 -4.90 135.00 131.76 2p2e n PRO 112 Ca 0.16 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.33 2p2e n PRO 112 Cb 0.55 -0.75 -0.12 0.00 -0.04 0.00 0.00 33.50 33.13 2p2e n PRO 112 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2p2e s ALA 113 N -1.36 2.17 -0.41 0.55 0.00 -1.26 -4.44 121.76 117.00 2p2e s ALA 113 Ca 0.00 -2.69 -0.25 0.00 0.00 0.00 0.00 51.96 49.02 2p2e s ALA 113 Cb 0.00 -1.86 0.02 0.00 0.00 0.00 0.00 23.12 21.28 2p2e s ALA 113 CO 0.00 -2.06 0.89 -1.17 0.00 0.00 0.00 175.76 173.43 2p2e s LEU 114 N 0.11 4.04 0.66 0.00 2.96 0.16 -4.92 118.68 121.68 2p2e s LEU 114 Ca 0.21 0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 54.38 2p2e s LEU 114 Cb -0.17 -3.18 0.05 0.00 0.50 0.00 0.00 46.19 43.40 2p2e s LEU 114 CO -0.05 -0.92 0.95 -0.94 -1.32 0.00 0.00 176.35 174.06 2p2e s SER 115 N 2.05 4.97 -0.08 3.68 1.04 -1.26 -2.87 113.70 121.22 2p2e s SER 115 Ca 0.36 0.35 0.02 0.00 0.48 0.00 0.00 55.95 57.16 2p2e s SER 115 Cb -0.11 -1.07 0.01 0.00 0.10 0.00 0.00 66.02 64.95 2p2e s SER 115 CO 0.22 -1.46 -0.14 -0.63 0.98 0.00 0.00 173.24 172.21 2p2e s ILE 116 N -3.11 1.32 -0.16 -1.02 1.01 -1.26 -1.41 121.20 116.57 2p2e s ILE 116 Ca 0.59 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.68 2p2e s ILE 116 Cb -0.11 -1.20 0.00 0.00 0.01 0.00 0.00 42.46 41.17 2p2e s ILE 116 CO 0.43 0.40 -0.17 -1.10 0.00 0.00 0.00 174.94 174.50 2p2e s GLN 117 N 0.76 3.13 -0.53 2.79 -0.21 0.15 -4.98 119.66 120.76 2p2e s GLN 117 Ca -0.12 -0.79 -0.18 0.00 0.02 0.00 0.00 55.36 54.29 2p2e s GLN 117 Cb -0.16 -2.59 0.08 0.00 1.00 0.00 0.00 33.01 31.34 2p2e s GLN 117 CO 0.03 -0.04 0.61 0.34 -2.12 0.00 0.00 175.29 174.10 2p2e s ASP 118 N 0.94 6.20 -0.19 5.90 -1.08 -1.26 -0.64 116.67 126.53 2p2e s ASP 118 Ca -0.03 -1.16 0.16 0.00 -0.52 0.00 0.00 52.55 50.99 2p2e s ASP 118 Cb -0.15 -2.27 0.63 0.00 -1.46 0.00 0.00 42.92 39.67 2p2e s ASP 118 CO -0.03 -0.92 1.54 0.49 0.52 0.00 0.00 175.17 176.77 2p2e n PHE 119 N 6.03 1.34 -2.27 -5.34 3.72 0.40 -4.96 117.46 116.37 2p2e n PHE 119 Ca -0.09 -0.81 -0.39 0.00 -0.05 0.00 0.00 57.45 56.11 2p2e n PHE 119 Cb 0.44 -0.38 -0.02 0.00 -0.94 0.00 0.00 39.48 38.58 2p2e n PHE 119 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2p2e s ARG 120 N -2.75 4.27 0.00 -1.08 0.52 -1.13 -4.73 118.95 114.06 2p2e s ARG 120 Ca 0.46 1.95 0.31 0.00 -0.52 0.00 0.00 55.73 57.94 2p2e s ARG 120 Cb 0.36 -2.91 1.88 0.00 0.52 0.00 0.00 34.95 34.80 2p2e s ARG 120 CO 0.12 -0.17 2.20 0.39 0.02 0.00 0.00 175.30 177.86