#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p5d s ASP 2 N 0.00 3.41 0.61 3.17 1.11 -1.26 -5.00 116.67 118.70 2p5d s ASP 2 Ca 0.00 1.83 -0.15 0.00 0.18 0.00 0.00 52.55 54.40 2p5d s ASP 2 Cb 0.00 -2.43 -0.03 0.00 1.07 0.00 0.00 42.92 41.53 2p5d s ASP 2 CO 0.00 -2.73 1.06 -0.76 1.18 0.00 0.00 175.17 173.92 2p5d s LEU 3 N -6.34 3.47 0.49 1.23 1.43 -1.26 -4.98 118.68 112.72 2p5d s LEU 3 Ca 0.64 1.83 -0.24 0.00 -1.03 0.00 0.00 54.13 55.34 2p5d s LEU 3 Cb -0.20 -4.53 -0.07 0.00 0.03 0.00 0.00 46.19 41.42 2p5d s LEU 3 CO 0.58 -1.24 1.38 -0.04 0.23 0.00 0.00 176.35 177.26 2p5d s MET 4 N -4.11 3.48 0.28 1.70 -1.94 -1.26 -5.02 119.30 112.42 2p5d s MET 4 Ca 0.64 2.31 0.10 0.00 -1.71 0.00 0.00 55.69 57.02 2p5d s MET 4 Cb -0.17 -2.49 -0.04 0.00 2.01 0.00 0.00 34.83 34.14 2p5d s MET 4 CO 0.38 -0.95 -0.02 0.00 -0.01 0.00 0.00 175.02 174.43 2p5d s ALA 5 N -1.26 3.13 -0.11 3.03 0.00 -1.26 -5.02 121.76 120.27 2p5d s ALA 5 Ca 0.65 -1.71 0.02 0.00 0.00 0.00 0.00 51.96 50.93 2p5d s ALA 5 Cb -0.42 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.03 2p5d s ALA 5 CO 0.52 0.24 -0.18 0.71 0.00 0.00 0.00 175.76 177.05 2p5d s TYR 6 N -2.36 2.17 -0.13 0.00 2.02 -1.26 -1.76 117.35 116.02 2p5d s TYR 6 Ca 0.32 -1.00 0.02 0.00 -0.37 0.00 0.00 57.07 56.04 2p5d s TYR 6 Cb -0.06 -1.52 0.01 0.00 -0.40 0.00 0.00 41.96 40.00 2p5d s TYR 6 CO 0.19 -0.48 -0.20 -1.58 -1.57 0.00 0.00 175.55 171.91 2p5d s TRP 7 N 0.82 2.48 -0.13 2.71 0.52 0.14 -0.83 118.94 124.66 2p5d s TRP 7 Ca -0.09 -1.25 -0.27 0.00 0.02 0.00 0.00 56.10 54.51 2p5d s TRP 7 Cb -0.16 -1.71 -0.02 0.00 -1.15 0.00 0.00 33.47 30.43 2p5d s TRP 7 CO 0.00 -0.59 0.88 -1.17 0.02 0.00 0.00 176.95 176.09 2p5d s LEU 8 N 0.89 4.22 -0.23 2.99 2.96 0.18 -0.05 118.68 129.64 2p5d s LEU 8 Ca -0.06 1.31 -0.04 0.00 -0.22 0.00 0.00 54.13 55.12 2p5d s LEU 8 Cb -0.15 -3.33 -0.00 0.00 0.50 0.00 0.00 46.19 43.21 2p5d s LEU 8 CO -0.02 -0.37 -0.04 0.00 -1.32 0.00 0.00 176.35 174.59 2p5d s ILE 10 N 1.46 4.94 0.33 0.00 -1.09 -0.34 -0.41 121.20 126.08 2p5d s ILE 10 Ca 0.05 1.37 0.05 0.00 -2.23 0.00 0.00 60.65 59.89 2p5d s ILE 10 Cb -0.15 -4.03 -0.03 0.00 -1.58 0.00 0.00 42.46 36.68 2p5d s ILE 10 CO -0.03 0.04 0.30 0.28 -1.23 0.00 0.00 174.94 174.29 2p5d s THR 11 N 2.28 0.00 0.55 2.92 -1.32 0.52 -4.91 115.64 115.68 2p5d s THR 11 Ca 0.32 -1.93 0.04 0.00 -1.21 0.00 0.00 61.69 58.91 2p5d s THR 11 Cb -0.16 -2.52 0.04 0.00 -1.51 0.00 0.00 72.50 68.34 2p5d s THR 11 CO 0.10 0.00 0.34 0.54 -2.21 0.00 0.00 174.62 173.39 2p5d s ASN 12 N -3.34 4.53 0.21 8.08 2.20 -1.26 -1.22 114.94 124.13 2p5d s ASN 12 Ca 0.39 -1.36 -0.10 0.00 -0.94 0.00 0.00 52.86 50.85 2p5d s ASN 12 Cb 0.02 0.54 0.19 0.00 -2.00 0.00 0.00 41.25 40.00 2p5d s ASN 12 CO 0.26 -1.11 1.84 -0.33 -2.94 0.00 0.00 177.10 174.82 2p5d h GLU 13 N 0.81 0.81 -0.29 3.55 5.08 -1.94 -1.30 114.58 121.30 2p5d h GLU 13 Ca -0.38 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 57.89 2p5d h GLU 13 Cb 1.31 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2p5d h GLU 13 CO 0.60 0.53 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.69 2p5d h ASP 14 N 0.83 0.51 1.49 1.42 3.32 -1.99 -3.14 116.42 118.85 2p5d h ASP 14 Ca 0.28 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 2p5d h ASP 14 Cb 0.04 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 2p5d h ASP 14 CO -0.12 0.70 -0.04 0.78 -1.72 0.00 0.00 179.24 178.85 2p5d h ASN 15 N 0.30 0.00 -0.53 6.45 2.35 -1.89 -2.91 115.58 119.35 2p5d h ASN 15 Ca 0.08 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 2p5d h ASN 15 Cb 0.45 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 2p5d h ASN 15 CO 0.02 0.04 0.17 -0.25 -1.65 0.00 0.00 177.43 175.76 2p5d h TRP 16 N 0.00 0.85 -0.68 1.19 2.91 -1.19 -0.51 115.95 118.52 2p5d h TRP 16 Ca -0.00 -0.08 0.04 0.00 1.13 0.00 0.00 58.89 59.98 2p5d h TRP 16 Cb 0.79 -0.25 -0.04 0.00 -0.51 0.00 0.00 29.16 29.16 2p5d h TRP 16 CO 0.00 0.72 0.45 0.87 -1.03 0.00 0.00 178.44 179.45 2p5d h LYS 17 N 0.73 0.77 -0.14 2.65 1.57 -1.49 0.89 116.57 121.55 2p5d h LYS 17 Ca 0.17 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.81 2p5d h LYS 17 Cb 0.26 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2p5d h LYS 17 CO -0.01 0.51 -0.28 0.28 -0.57 0.00 0.00 179.45 179.38 2p5d h VAL 18 N 0.80 1.37 -0.75 0.50 2.07 -1.37 -2.26 116.25 116.61 2p5d h VAL 18 Ca 0.28 -1.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 2p5d h VAL 18 Cb 0.10 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 2p5d h VAL 18 CO -0.08 0.46 0.45 0.40 0.02 0.00 0.00 177.57 178.82 2p5d h ILE 19 N 0.05 1.21 -0.70 4.57 2.04 -0.58 0.21 117.51 124.31 2p5d h ILE 19 Ca 0.00 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 2p5d h ILE 19 Cb 0.88 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2p5d h ILE 19 CO 0.06 0.22 0.29 0.50 0.00 0.00 0.00 178.15 179.23 2p5d h LYS 20 N 1.02 1.04 0.13 2.37 3.64 -0.83 0.59 116.57 124.53 2p5d h LYS 20 Ca 0.27 -0.18 -0.18 0.00 -1.27 0.00 0.00 60.65 59.28 2p5d h LYS 20 Cb -0.03 -0.17 0.02 0.00 -0.41 0.00 0.00 32.23 31.63 2p5d h LYS 20 CO -0.05 0.86 -0.81 1.49 -2.27 0.00 0.00 179.45 178.67 2p5d h GLU 21 N 1.00 0.27 0.00 1.90 4.81 -1.04 -3.38 114.58 118.14 2p5d h GLU 21 Ca 0.24 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2p5d h GLU 21 Cb 0.19 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2p5d h GLU 21 CO -0.02 1.22 -0.86 1.63 -0.73 0.00 0.00 179.01 180.25 2p5d n LYS 22 N -4.15 0.38 -3.61 1.92 4.76 0.72 -4.99 118.16 113.19 2p5d n LYS 22 Ca -0.15 0.07 -0.21 0.00 -2.87 0.00 0.00 58.31 55.15 2p5d n LYS 22 Cb 0.80 -1.70 0.05 0.00 -1.84 0.00 0.00 35.03 32.34 2p5d n LYS 22 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2p5d n LYS 23 N -2.23 -4.21 -3.85 1.97 5.02 0.20 -4.89 118.16 110.17 2p5d n LYS 23 Ca 0.02 0.65 -0.12 0.00 -2.02 0.00 0.00 58.31 56.84 2p5d n LYS 23 Cb 0.47 -5.19 -0.14 0.00 -0.02 0.00 0.00 35.03 30.16 2p5d n LYS 23 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2p5d s ILE 24 N -3.57 -0.00 -0.06 -0.18 1.01 -1.26 -0.75 121.20 116.39 2p5d s ILE 24 Ca 0.13 0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.84 2p5d s ILE 24 Cb -0.03 -0.07 -0.01 0.00 0.01 0.00 0.00 42.46 42.35 2p5d s ILE 24 CO 0.80 0.00 -0.22 0.86 0.00 0.00 0.00 174.94 176.38 2p5d s TRP 25 N 0.07 2.50 0.04 3.97 -0.11 -0.84 -4.53 118.94 120.04 2p5d s TRP 25 Ca -0.00 -0.58 -0.03 0.00 1.22 0.00 0.00 56.10 56.70 2p5d s TRP 25 Cb -0.01 -1.61 -0.02 0.00 -1.50 0.00 0.00 33.47 30.33 2p5d s TRP 25 CO -0.00 -0.12 0.04 0.20 -4.62 0.00 0.00 176.95 172.44 2p5d s GLY 26 N -0.28 0.25 0.23 5.86 0.00 -1.26 -1.57 107.32 110.56 2p5d s GLY 26 Ca 0.00 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.05 2p5d s GLY 26 CO 0.03 -0.82 0.02 -1.34 0.00 0.00 0.00 173.10 170.99 2p5d s VAL 27 N -2.61 0.86 0.61 1.40 -7.23 -0.02 -4.97 120.40 108.43 2p5d s VAL 27 Ca -0.05 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.05 2p5d s VAL 27 Cb -0.01 -2.39 0.02 0.00 0.56 0.00 0.00 36.38 34.56 2p5d s VAL 27 CO -0.05 -0.27 0.91 0.00 -0.31 0.00 0.00 175.10 175.39 2p5d s ALA 28 N -3.54 3.31 0.26 1.32 0.00 -1.26 -2.78 121.76 119.07 2p5d s ALA 28 Ca 0.30 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.43 2p5d s ALA 28 Cb 0.06 -2.56 0.53 0.00 0.00 0.00 0.00 23.12 21.15 2p5d s ALA 28 CO 0.09 -0.90 1.62 1.49 0.00 0.00 0.00 175.76 178.07 2p5d h GLU 29 N -0.24 0.10 -0.65 0.00 4.57 -1.98 0.47 114.58 116.84 2p5d h GLU 29 Ca -0.45 -0.01 0.19 0.00 -1.18 0.00 0.00 59.36 57.91 2p5d h GLU 29 Cb 1.27 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.81 2p5d h GLU 29 CO 0.60 0.06 0.49 -0.09 -1.18 0.00 0.00 179.01 178.89 2p5d h ARG 30 N 0.10 0.00 -0.19 1.92 2.43 -2.06 -1.88 114.38 114.70 2p5d h ARG 30 Ca 0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 2p5d h ARG 30 Cb 0.86 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2p5d h ARG 30 CO -0.72 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 178.40 2p5d n TYR 31 N -4.22 0.57 0.24 2.20 4.01 0.13 -4.61 117.16 115.47 2p5d n TYR 31 Ca 0.13 -0.82 0.08 0.00 -0.16 0.00 0.00 57.90 57.13 2p5d n TYR 31 Cb 0.74 -0.21 0.57 0.00 -0.31 0.00 0.00 39.34 40.14 2p5d n TYR 31 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 2p5d h LYS 32 N 1.27 0.00 -0.38 -0.72 2.10 -1.05 -1.93 116.57 115.85 2p5d h LYS 32 Ca 0.00 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.67 2p5d h LYS 32 Cb 1.15 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.46 2p5d h LYS 32 CO 0.12 0.17 0.26 -0.97 -2.00 0.00 0.00 179.45 177.02 2p5d h ASN 33 N 0.00 0.39 0.07 7.07 -0.73 -1.81 0.08 115.58 120.64 2p5d h ASN 33 Ca -0.00 -0.01 -0.16 0.00 1.87 0.00 0.00 56.30 58.01 2p5d h ASN 33 Cb 0.33 -0.10 -0.00 0.00 0.27 0.00 0.00 38.32 38.82 2p5d h ASN 33 CO 0.02 0.28 -0.77 0.74 -0.37 0.00 0.00 177.43 177.33 2p5d h THR 34 N 0.46 1.39 0.00 -3.57 2.02 -1.71 -3.33 112.91 108.17 2p5d h THR 34 Ca 0.15 -2.38 -0.04 0.00 0.77 0.00 0.00 66.41 64.91 2p5d h THR 34 Cb 0.03 2.98 -0.01 0.00 -1.74 0.00 0.00 68.15 69.42 2p5d h THR 34 CO -0.03 0.61 -0.18 -0.29 0.37 0.00 0.00 175.52 176.00 2p5d h ILE 35 N -0.67 0.89 0.00 3.11 2.10 -1.36 -1.59 117.51 119.99 2p5d h ILE 35 Ca -0.17 -0.68 0.00 0.00 1.08 0.00 0.00 64.86 65.09 2p5d h ILE 35 Cb 1.41 1.39 0.00 0.00 -1.09 0.00 0.00 36.82 38.53 2p5d h ILE 35 CO 0.02 0.18 0.00 0.59 -1.08 0.00 0.00 178.15 177.86 2p5d n ASN 36 N -3.98 0.23 -0.08 2.19 3.02 0.00 -1.12 115.26 115.53 2p5d n ASN 36 Ca -0.02 0.58 0.13 0.00 -0.03 0.00 0.00 54.58 55.24 2p5d n ASN 36 Cb 0.27 -0.62 0.49 0.00 -0.61 0.00 0.00 39.78 39.31 2p5d n ASN 36 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2p5d n LYS 37 N -1.78 0.38 -2.79 3.52 5.02 -0.60 -4.88 118.16 117.03 2p5d n LYS 37 Ca 0.01 -0.15 -0.36 0.00 -2.02 0.00 0.00 58.31 55.79 2p5d n LYS 37 Cb 0.11 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.56 2p5d n LYS 37 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2p5d s VAL 38 N -2.73 4.25 0.09 -0.18 1.01 -0.28 -5.06 120.40 117.50 2p5d s VAL 38 Ca 0.21 1.75 -0.02 0.00 0.00 0.00 0.00 61.98 63.91 2p5d s VAL 38 Cb 0.19 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2p5d s VAL 38 CO 0.55 0.05 0.03 -1.59 0.00 0.00 0.00 175.10 174.14 2p5d s LYS 39 N -2.29 0.76 0.26 2.72 -2.85 -1.26 -4.70 119.74 112.39 2p5d s LYS 39 Ca 0.53 -1.27 -0.31 0.00 -1.00 0.00 0.00 55.97 53.92 2p5d s LYS 39 Cb -0.17 0.24 -0.13 0.00 -2.06 0.00 0.00 37.83 35.72 2p5d s LYS 39 CO 0.21 -0.19 1.44 0.28 0.10 0.00 0.00 175.35 177.19 2p5d n VAL 40 N 0.01 1.08 0.00 1.79 0.31 -1.26 -1.73 118.33 118.53 2p5d n VAL 40 Ca -0.11 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 2p5d n VAL 40 Cb 0.62 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 2p5d n VAL 40 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2p5d n GLY 41 N 2.01 3.01 3.73 2.92 0.00 -0.52 -5.01 105.19 111.32 2p5d n GLY 41 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2p5d n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2p5d s ASP 42 N -1.22 3.62 -0.03 1.61 1.01 -0.70 -4.75 116.67 116.20 2p5d s ASP 42 Ca 0.00 1.53 0.06 0.00 0.71 0.00 0.00 52.55 54.85 2p5d s ASP 42 Cb 0.00 -2.21 -0.02 0.00 1.01 0.00 0.00 42.92 41.70 2p5d s ASP 42 CO 0.00 -2.55 -0.21 -0.54 0.21 0.00 0.00 175.17 172.08 2p5d s LYS 43 N -4.93 2.27 -0.11 8.23 -0.14 -0.72 -1.06 119.74 123.27 2p5d s LYS 43 Ca 0.63 -0.84 -0.00 0.00 -1.36 0.00 0.00 55.97 54.40 2p5d s LYS 43 Cb -0.18 -2.18 -0.02 0.00 -1.68 0.00 0.00 37.83 33.77 2p5d s LYS 43 CO 0.57 0.59 -0.10 -0.51 -0.76 0.00 0.00 175.35 175.13 2p5d s LEU 44 N -0.67 2.91 -0.29 3.17 1.43 0.22 -0.68 118.68 124.77 2p5d s LEU 44 Ca 0.11 -0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 52.96 2p5d s LEU 44 Cb -0.10 -1.65 0.03 0.00 0.03 0.00 0.00 46.19 44.49 2p5d s LEU 44 CO -0.00 0.22 0.02 -0.63 0.23 0.00 0.00 176.35 176.19 2p5d s ILE 45 N 0.01 3.32 -0.26 -0.59 1.09 0.93 -0.87 121.20 124.83 2p5d s ILE 45 Ca -0.02 -1.06 -0.28 0.00 -1.10 0.00 0.00 60.65 58.18 2p5d s ILE 45 Cb -0.14 -2.79 0.01 0.00 -1.06 0.00 0.00 42.46 38.48 2p5d s ILE 45 CO 0.04 0.02 1.01 -0.63 -0.10 0.00 0.00 174.94 175.28 2p5d s ILE 46 N 1.36 4.66 -0.22 2.92 -1.09 -0.40 -0.41 121.20 128.01 2p5d s ILE 46 Ca -0.01 1.86 -0.06 0.00 -2.23 0.00 0.00 60.65 60.21 2p5d s ILE 46 Cb -0.18 -4.31 -0.02 0.00 -1.58 0.00 0.00 42.46 36.37 2p5d s ILE 46 CO -0.01 -0.25 0.02 -0.47 -1.23 0.00 0.00 174.94 173.00 2p5d s TYR 47 N 3.26 3.04 -0.32 3.97 6.14 0.45 -0.91 117.35 132.98 2p5d s TYR 47 Ca 0.43 -0.56 -0.10 0.00 0.64 0.00 0.00 57.07 57.47 2p5d s TYR 47 Cb -0.14 -2.15 -0.01 0.00 0.42 0.00 0.00 41.96 40.09 2p5d s TYR 47 CO 0.09 -0.36 0.17 -2.00 0.64 0.00 0.00 175.55 174.09 2p5d s GLU 48 N 1.34 3.33 0.61 4.97 2.12 0.54 -0.35 118.70 131.26 2p5d s GLU 48 Ca 0.04 -0.73 -0.18 0.00 0.36 0.00 0.00 54.97 54.46 2p5d s GLU 48 Cb -0.15 -3.62 -0.05 0.00 0.26 0.00 0.00 34.13 30.57 2p5d s GLU 48 CO 0.01 -0.44 0.83 0.44 -0.54 0.00 0.00 175.26 175.56 2p5d n ILE 49 N 5.01 3.28 -1.95 -3.70 -5.35 -0.36 -1.09 119.36 115.20 2p5d n ILE 49 Ca -0.13 -0.49 -0.36 0.00 -0.27 0.00 0.00 62.75 61.49 2p5d n ILE 49 Cb 0.49 -1.00 0.04 0.00 -1.74 0.00 0.00 39.64 37.43 2p5d n ILE 49 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2p5d s GLN 50 N -2.64 2.91 -0.39 6.28 0.74 -1.26 -4.69 119.66 120.61 2p5d s GLN 50 Ca 0.74 1.89 -0.10 0.00 0.05 0.00 0.00 55.36 57.94 2p5d s GLN 50 Cb -0.41 -1.93 0.05 0.00 1.10 0.00 0.00 33.01 31.81 2p5d s GLN 50 CO 0.49 -1.27 0.21 0.50 -0.55 0.00 0.00 175.29 174.67 2p5d s ARG 51 N -3.31 2.73 0.58 1.67 3.52 0.02 -4.94 118.95 119.22 2p5d s ARG 51 Ca 0.78 -1.22 -0.07 0.00 -0.13 0.00 0.00 55.73 55.10 2p5d s ARG 51 Cb -0.32 -3.72 -0.01 0.00 -1.56 0.00 0.00 34.95 29.34 2p5d s ARG 51 CO 0.35 -0.78 0.91 -1.12 -0.81 0.00 0.00 175.30 173.84 2p5d s SER 52 N 1.73 5.83 0.00 -2.12 0.01 -1.26 -1.44 113.70 116.44 2p5d s SER 52 Ca 0.02 0.90 0.00 0.00 1.31 0.00 0.00 55.95 58.17 2p5d s SER 52 Cb -0.20 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.06 2p5d s SER 52 CO 0.05 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.36 2p5d n GLY 53 N -2.56 -1.07 0.31 3.44 0.00 -1.26 -4.64 105.19 99.42 2p5d n GLY 53 Ca 0.04 -2.15 0.20 0.00 0.00 0.00 0.00 46.02 44.11 2p5d n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p5d h LYS 54 N 3.18 0.00 -1.57 1.61 1.57 -2.06 -1.95 116.57 117.35 2p5d h LYS 54 Ca 0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.10 2p5d h LYS 54 Cb 0.00 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 31.97 2p5d h LYS 54 CO 0.00 0.01 0.27 -0.25 -0.57 0.00 0.00 179.45 178.91 2p5d n ASP 55 N -3.24 6.39 -4.59 0.86 8.00 -1.26 -5.04 116.55 117.66 2p5d n ASP 55 Ca -0.02 -3.79 -0.49 0.00 0.71 0.00 0.00 54.79 51.21 2p5d n ASP 55 Cb 0.13 -0.79 -0.04 0.00 -0.02 0.00 0.00 41.12 40.41 2p5d n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2p5d n TYR 56 N -0.59 1.40 -3.91 1.24 9.36 -0.74 -4.85 117.16 119.08 2p5d n TYR 56 Ca 0.49 0.65 -0.22 0.00 3.32 0.00 0.00 57.90 62.14 2p5d n TYR 56 Cb 0.51 -2.30 -0.17 0.00 -0.63 0.00 0.00 39.34 36.74 2p5d n TYR 56 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2p5d s LYS 57 N -0.30 0.72 0.84 2.98 2.20 -0.52 -4.96 119.74 120.69 2p5d s LYS 57 Ca 0.74 0.02 -0.10 0.00 -0.36 0.00 0.00 55.97 56.26 2p5d s LYS 57 Cb -0.84 -0.94 0.10 0.00 -1.51 0.00 0.00 37.83 34.64 2p5d s LYS 57 CO 0.51 -0.22 1.12 -1.25 -0.36 0.00 0.00 175.35 175.15 2p5d s PRO 58 N 1.58 1.64 0.19 4.03 0.05 -1.26 -0.80 135.00 140.44 2p5d s PRO 58 Ca -0.01 1.34 -0.30 0.00 0.05 0.00 0.00 61.00 62.08 2p5d s PRO 58 Cb -0.13 -1.81 -0.09 0.00 0.05 0.00 0.00 34.50 32.52 2p5d s PRO 58 CO -0.04 -2.13 1.37 -1.25 0.05 0.00 0.00 177.00 175.00 2p5d s PRO 59 N -4.78 4.34 -0.00 0.56 0.04 -1.26 -4.48 135.00 129.41 2p5d s PRO 59 Ca 0.64 2.13 0.05 0.00 0.04 0.00 0.00 61.00 63.86 2p5d s PRO 59 Cb -0.20 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 2p5d s PRO 59 CO 0.57 -0.34 -0.15 0.71 0.04 0.00 0.00 177.00 177.83 2p5d s TYR 60 N 0.32 2.66 -0.42 0.56 2.02 -0.25 -0.87 117.35 121.38 2p5d s TYR 60 Ca 0.59 -0.19 -0.18 0.00 -0.37 0.00 0.00 57.07 56.93 2p5d s TYR 60 Cb -0.38 -1.55 0.02 0.00 -0.40 0.00 0.00 41.96 39.65 2p5d s TYR 60 CO 0.37 0.24 0.46 0.42 -1.57 0.00 0.00 175.55 175.48 2p5d s ILE 61 N -0.85 5.06 0.03 2.71 1.01 0.35 -0.34 121.20 129.16 2p5d s ILE 61 Ca 0.14 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.58 2p5d s ILE 61 Cb -0.11 -4.05 -0.24 0.00 0.01 0.00 0.00 42.46 38.07 2p5d s ILE 61 CO 0.04 -0.42 0.96 0.03 0.00 0.00 0.00 174.94 175.55 2p5d h ARG 62 N 8.73 0.11 -1.68 2.79 2.47 -1.34 -2.83 114.38 122.62 2p5d h ARG 62 Ca -0.26 -0.19 0.41 0.00 -1.26 0.00 0.00 59.98 58.67 2p5d h ARG 62 Cb 1.11 0.07 -0.10 0.00 -1.65 0.00 0.00 29.97 29.40 2p5d h ARG 62 CO 0.80 0.94 1.01 0.20 0.56 0.00 0.00 179.97 183.48 2p5d s GLY 63 N -4.90 -0.31 -0.01 0.04 0.00 -1.25 -1.80 107.32 99.09 2p5d s GLY 63 Ca -0.05 0.42 0.05 0.00 0.00 0.00 0.00 44.72 45.15 2p5d s GLY 63 CO 0.84 4.72 -0.16 0.14 0.00 0.00 0.00 173.10 178.63 2p5d s VAL 64 N -2.01 1.28 0.11 1.40 1.01 0.38 -1.27 120.40 121.30 2p5d s VAL 64 Ca 0.27 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.55 2p5d s VAL 64 Cb 0.03 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 2p5d s VAL 64 CO -0.04 0.33 -0.09 -0.31 0.00 0.00 0.00 175.10 174.99 2p5d s TYR 65 N -0.43 1.07 -0.15 5.22 1.51 -0.05 -1.30 117.35 123.22 2p5d s TYR 65 Ca 0.06 -0.74 -0.06 0.00 -1.01 0.00 0.00 57.07 55.33 2p5d s TYR 65 Cb -0.06 -0.58 -0.04 0.00 -0.11 0.00 0.00 41.96 41.17 2p5d s TYR 65 CO -0.00 -0.01 0.04 -2.00 -1.11 0.00 0.00 175.55 172.46 2p5d s GLU 66 N -3.27 3.66 -0.09 -0.62 2.56 0.25 -0.61 118.70 120.58 2p5d s GLU 66 Ca 0.10 -0.37 -0.30 0.00 0.00 0.00 0.00 54.97 54.40 2p5d s GLU 66 Cb 0.00 -3.07 -0.02 0.00 2.00 0.00 0.00 34.13 33.04 2p5d s GLU 66 CO -0.01 0.41 1.09 0.08 -0.56 0.00 0.00 175.26 176.27 2p5d s VAL 67 N -0.04 4.56 -0.08 3.70 1.01 -0.22 -0.81 120.40 128.51 2p5d s VAL 67 Ca 0.05 1.85 0.12 0.00 0.00 0.00 0.00 61.98 64.00 2p5d s VAL 67 Cb -0.12 -4.19 0.19 0.00 0.00 0.00 0.00 36.38 32.25 2p5d s VAL 67 CO 0.01 -0.01 1.09 1.33 0.00 0.00 0.00 175.10 177.53 2p5d n VAL 68 N 4.62 1.56 -3.68 2.92 0.24 -0.36 -1.44 118.33 122.17 2p5d n VAL 68 Ca 0.10 -1.80 -0.11 0.00 -2.04 0.00 0.00 64.34 60.49 2p5d n VAL 68 Cb 0.48 0.03 -0.06 0.00 -1.47 0.00 0.00 33.84 32.82 2p5d n VAL 68 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2p5d s SER 69 N -2.20 -0.20 0.88 -1.34 1.04 -1.25 -4.88 113.70 105.75 2p5d s SER 69 Ca 0.20 -0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.29 2p5d s SER 69 Cb 0.18 0.43 0.12 0.00 0.10 0.00 0.00 66.02 66.85 2p5d s SER 69 CO 0.02 -0.75 1.11 -1.83 0.98 0.00 0.00 173.24 172.78 2p5d s GLU 70 N -3.21 1.42 0.19 4.02 1.03 -1.26 -4.42 118.70 116.46 2p5d s GLU 70 Ca -0.01 0.49 -0.30 0.00 0.03 0.00 0.00 54.97 55.18 2p5d s GLU 70 Cb 0.01 -1.85 -0.09 0.00 -0.80 0.00 0.00 34.13 31.40 2p5d s GLU 70 CO -0.08 -2.05 1.36 0.08 -1.33 0.00 0.00 175.26 173.24 2p5d s VAL 71 N -3.17 3.12 0.21 1.83 1.01 -1.26 -4.67 120.40 117.48 2p5d s VAL 71 Ca 0.63 0.89 0.04 0.00 0.00 0.00 0.00 61.98 63.54 2p5d s VAL 71 Cb -0.15 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 2p5d s VAL 71 CO 0.54 0.12 -0.04 -0.72 0.00 0.00 0.00 175.10 175.00 2p5d s TYR 72 N 0.36 1.54 -0.17 5.22 1.13 0.06 -4.95 117.35 120.54 2p5d s TYR 72 Ca 0.59 -0.84 -0.03 0.00 -1.41 0.00 0.00 57.07 55.39 2p5d s TYR 72 Cb -0.38 -0.86 -0.02 0.00 -1.10 0.00 0.00 41.96 39.61 2p5d s TYR 72 CO 0.37 0.05 -0.06 0.21 -2.51 0.00 0.00 175.55 173.61 2p5d s LYS 73 N -3.81 3.51 -0.20 -3.49 2.20 -1.26 -1.05 119.74 115.64 2p5d s LYS 73 Ca 0.25 -0.59 -0.07 0.00 -0.36 0.00 0.00 55.97 55.20 2p5d s LYS 73 Cb 0.04 -2.89 0.09 0.00 -1.51 0.00 0.00 37.83 33.56 2p5d s LYS 73 CO 0.07 0.08 0.43 0.34 -0.36 0.00 0.00 175.35 175.90 2p5d s ASP 74 N 0.77 -0.31 0.00 1.43 2.15 -0.19 -5.03 116.67 115.49 2p5d s ASP 74 Ca -0.02 1.01 0.22 0.00 0.43 0.00 0.00 52.55 54.19 2p5d s ASP 74 Cb -0.15 1.35 0.53 0.00 -0.30 0.00 0.00 42.92 44.35 2p5d s ASP 74 CO 0.02 -0.23 1.45 -1.20 -0.17 0.00 0.00 175.17 175.04 2p5d n SER 75 N 5.31 2.80 -4.74 -0.34 7.64 -1.26 -4.25 113.62 118.79 2p5d n SER 75 Ca -0.10 -1.90 -0.42 0.00 1.01 0.00 0.00 58.87 57.46 2p5d n SER 75 Cb 0.50 -0.21 -0.02 0.00 -1.01 0.00 0.00 64.21 63.47 2p5d n SER 75 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2p5d s SER 76 N -1.48 6.36 0.07 6.43 1.04 -1.26 -4.89 113.70 119.97 2p5d s SER 76 Ca 0.36 2.93 -0.31 0.00 0.48 0.00 0.00 55.95 59.41 2p5d s SER 76 Cb 0.21 -2.62 -0.07 0.00 0.10 0.00 0.00 66.02 63.64 2p5d s SER 76 CO 0.29 -0.95 1.35 -0.75 0.98 0.00 0.00 173.24 174.17 2p5d s LYS 77 N 0.21 4.33 0.00 4.02 2.20 -1.26 -4.81 119.74 124.43 2p5d s LYS 77 Ca 0.68 1.97 0.00 0.00 -0.36 0.00 0.00 55.97 58.27 2p5d s LYS 77 Cb -0.49 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 2p5d s LYS 77 CO 0.41 -0.44 0.00 0.44 -0.36 0.00 0.00 175.35 175.40 2p5d n ILE 78 N 4.17 0.00 -3.50 5.43 -5.35 -1.26 -5.12 119.36 113.73 2p5d n ILE 78 Ca 0.11 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.39 2p5d n ILE 78 Cb 0.44 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.33 2p5d n ILE 78 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2p5d s PHE 79 N -0.91 3.23 -0.25 4.28 0.08 -1.26 -4.94 117.98 118.21 2p5d s PHE 79 Ca 0.00 -0.08 -0.17 0.00 0.12 0.00 0.00 56.93 56.80 2p5d s PHE 79 Cb 0.00 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.48 2p5d s PHE 79 CO 0.00 0.05 0.47 0.21 -0.10 0.00 0.00 175.22 175.85 2p5d s LYS 80 N -4.20 4.08 0.73 0.44 2.47 -1.26 -5.02 119.74 116.99 2p5d s LYS 80 Ca 0.43 0.26 -0.06 0.00 -1.56 0.00 0.00 55.97 55.04 2p5d s LYS 80 Cb -0.09 -3.63 0.09 0.00 -1.46 0.00 0.00 37.83 32.74 2p5d s LYS 80 CO 0.32 -0.28 1.04 -1.25 0.16 0.00 0.00 175.35 175.33 2p5d s PRO 81 N 2.08 1.87 0.23 4.03 0.04 -1.26 -4.94 135.00 137.05 2p5d s PRO 81 Ca 0.20 -0.52 0.03 0.00 0.04 0.00 0.00 61.00 60.75 2p5d s PRO 81 Cb -0.16 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 2p5d s PRO 81 CO 0.09 -1.42 0.38 0.95 0.04 0.00 0.00 177.00 177.04 2p5d s THR 82 N -3.28 5.24 0.49 1.26 -4.23 -1.25 -4.94 115.64 108.92 2p5d s THR 82 Ca 0.63 -0.71 0.35 0.00 -1.18 0.00 0.00 61.69 60.78 2p5d s THR 82 Cb -0.08 -3.81 0.37 0.00 1.34 0.00 0.00 72.50 70.32 2p5d s THR 82 CO 0.45 -0.29 2.20 -0.65 -0.54 0.00 0.00 174.62 175.80 2p5d h PRO 83 N 1.48 0.00 0.00 3.99 0.11 -1.98 -0.27 132.00 135.32 2p5d h PRO 83 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2p5d h PRO 83 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2p5d h PRO 83 CO 0.64 0.04 -0.95 0.00 -0.21 0.00 0.00 178.00 177.52 2p5d h ARG 84 N 0.00 0.00 -1.90 1.05 3.08 -2.06 -3.36 114.38 111.19 2p5d h ARG 84 Ca -0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.55 2p5d h ARG 84 Cb 0.18 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.83 2p5d h ARG 84 CO 0.00 0.00 -1.05 0.27 -1.07 0.00 0.00 179.97 178.13 2p5d n ASN 85 N -2.66 1.97 0.31 7.04 0.23 -0.95 -4.96 115.26 116.25 2p5d n ASN 85 Ca 0.00 -3.16 0.17 0.00 -0.53 0.00 0.00 54.58 51.06 2p5d n ASN 85 Cb 0.54 -0.59 1.01 0.00 -2.08 0.00 0.00 39.78 38.66 2p5d n ASN 85 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 2p5d h PRO 86 N 2.97 0.00 -0.23 -0.53 0.13 -1.21 -2.41 132.00 130.73 2p5d h PRO 86 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2p5d h PRO 86 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2p5d h PRO 86 CO 0.59 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.46 2p5d n ASN 87 N -3.60 2.03 -4.73 1.44 3.02 -1.26 -4.86 115.26 107.30 2p5d n ASN 87 Ca -0.03 -1.79 -0.42 0.00 -0.03 0.00 0.00 54.58 52.31 2p5d n ASN 87 Cb 0.08 -0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 2p5d n ASN 87 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2p5d s GLU 88 N -1.71 4.33 -0.00 3.52 2.56 -0.90 -4.91 118.70 121.58 2p5d s GLU 88 Ca 0.33 2.13 0.03 0.00 0.00 0.00 0.00 54.97 57.45 2p5d s GLU 88 Cb 0.18 -3.20 -0.03 0.00 2.00 0.00 0.00 34.13 33.08 2p5d s GLU 88 CO 0.26 -0.38 0.11 1.63 -0.56 0.00 0.00 175.26 176.32 2p5d n LYS 89 N 3.25 5.32 -3.51 4.30 4.76 -1.26 -4.61 118.16 126.41 2p5d n LYS 89 Ca 0.09 -0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.28 2p5d n LYS 89 Cb 0.42 -0.69 0.05 0.00 -1.84 0.00 0.00 35.03 32.98 2p5d n LYS 89 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2p5d n PHE 90 N -1.13 -2.13 0.31 2.13 3.72 -1.26 -4.74 117.46 114.35 2p5d n PHE 90 Ca 0.00 0.62 0.17 0.00 -0.05 0.00 0.00 57.45 58.20 2p5d n PHE 90 Cb 0.05 -3.74 0.77 0.00 -0.94 0.00 0.00 39.48 35.61 2p5d n PHE 90 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2p5d h PRO 91 N -1.57 0.00 -5.34 -1.08 0.13 -1.72 -3.36 132.00 119.06 2p5d h PRO 91 Ca -0.64 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 63.84 2p5d h PRO 91 Cb 1.34 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.32 2p5d h PRO 91 CO 0.47 0.00 0.05 0.71 -0.23 0.00 0.00 178.00 179.00 2p5d s TYR 92 N -3.70 3.13 0.23 1.56 2.02 -1.12 -1.02 117.35 118.45 2p5d s TYR 92 Ca -0.00 0.12 0.01 0.00 -0.37 0.00 0.00 57.07 56.83 2p5d s TYR 92 Cb 0.10 -3.12 -0.05 0.00 -0.40 0.00 0.00 41.96 38.49 2p5d s TYR 92 CO 0.45 -0.68 0.07 1.03 -1.57 0.00 0.00 175.55 174.84 2p5d s ARG 93 N 2.61 1.29 -0.01 -0.62 0.52 -0.21 -0.84 118.95 121.69 2p5d s ARG 93 Ca 0.21 -1.68 -0.02 0.00 -0.52 0.00 0.00 55.73 53.73 2p5d s ARG 93 Cb -0.15 -0.24 -0.00 0.00 0.52 0.00 0.00 34.95 35.09 2p5d s ARG 93 CO 0.16 -0.24 0.04 0.14 0.02 0.00 0.00 175.30 175.41 2p5d s VAL 94 N -3.74 0.04 0.39 3.52 -7.23 -0.61 -0.76 120.40 112.01 2p5d s VAL 94 Ca 0.33 -0.29 -0.23 0.00 -1.81 0.00 0.00 61.98 59.98 2p5d s VAL 94 Cb 0.07 -0.16 -0.11 0.00 0.56 0.00 0.00 36.38 36.75 2p5d s VAL 94 CO 0.10 -0.16 0.95 -0.54 -0.31 0.00 0.00 175.10 175.14 2p5d s LYS 95 N -0.48 4.35 0.20 4.82 -0.14 -1.26 -1.98 119.74 125.25 2p5d s LYS 95 Ca -0.05 1.20 0.08 0.00 -1.36 0.00 0.00 55.97 55.83 2p5d s LYS 95 Cb -0.03 -2.40 -0.05 0.00 -1.68 0.00 0.00 37.83 33.67 2p5d s LYS 95 CO -0.00 0.07 -0.15 -0.51 -0.76 0.00 0.00 175.35 174.00 2p5d s LEU 96 N -2.79 2.55 -0.13 3.17 1.43 0.07 -1.23 118.68 121.75 2p5d s LEU 96 Ca 0.58 -1.01 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 2p5d s LEU 96 Cb -0.13 -0.69 0.02 0.00 0.03 0.00 0.00 46.19 45.42 2p5d s LEU 96 CO 0.17 -0.16 -0.17 -0.75 0.23 0.00 0.00 176.35 175.68 2p5d s LYS 97 N -3.59 2.44 0.13 1.70 2.20 0.01 -4.86 119.74 117.77 2p5d s LYS 97 Ca 0.22 -0.63 -0.31 0.00 -0.36 0.00 0.00 55.97 54.89 2p5d s LYS 97 Cb -0.01 -2.09 -0.09 0.00 -1.51 0.00 0.00 37.83 34.13 2p5d s LYS 97 CO 0.07 -0.10 1.55 -2.00 -0.36 0.00 0.00 175.35 174.51 2p5d s GLU 98 N 1.09 4.23 -0.21 4.03 2.12 -1.26 -0.59 118.70 128.11 2p5d s GLU 98 Ca -0.03 2.29 -0.06 0.00 0.36 0.00 0.00 54.97 57.53 2p5d s GLU 98 Cb -0.14 -3.28 -0.11 0.00 0.26 0.00 0.00 34.13 30.86 2p5d s GLU 98 CO -0.04 -0.60 -0.24 -0.89 -0.54 0.00 0.00 175.26 172.95 2p5d n ILE 99 N 4.15 1.15 -3.64 -3.70 5.41 -0.42 -4.88 119.36 117.43 2p5d n ILE 99 Ca 0.14 -0.35 -0.08 0.00 1.00 0.00 0.00 62.75 63.45 2p5d n ILE 99 Cb 0.40 -1.56 -0.07 0.00 -0.71 0.00 0.00 39.64 37.70 2p5d n ILE 99 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2p5d s LYS 100 N -2.39 0.59 -0.19 0.38 2.20 -0.93 -4.98 119.74 114.41 2p5d s LYS 100 Ca -0.29 0.82 -0.02 0.00 -0.36 0.00 0.00 55.97 56.13 2p5d s LYS 100 Cb 0.10 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.64 2p5d s LYS 100 CO 0.41 -0.09 -0.11 0.08 -0.36 0.00 0.00 175.35 175.28 2p5d s VAL 101 N 0.78 2.88 -0.16 4.02 1.01 -1.26 -0.47 120.40 127.19 2p5d s VAL 101 Ca -0.03 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 60.99 2p5d s VAL 101 Cb -0.05 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 2p5d s VAL 101 CO -0.09 0.48 1.13 -0.36 0.00 0.00 0.00 175.10 176.26 2p5d s PHE 102 N 1.27 3.18 -0.20 5.22 0.08 -0.74 -5.00 117.98 121.79 2p5d s PHE 102 Ca 0.03 1.30 -0.03 0.00 0.12 0.00 0.00 56.93 58.35 2p5d s PHE 102 Cb -0.14 -3.36 0.06 0.00 -0.57 0.00 0.00 43.02 39.01 2p5d s PHE 102 CO -0.05 -0.97 0.06 -1.21 -0.10 0.00 0.00 175.22 172.95 2p5d s GLU 103 N 2.97 0.47 0.80 0.44 0.41 -1.26 -2.55 118.70 119.98 2p5d s GLU 103 Ca 0.50 -0.36 -0.11 0.00 -0.41 0.00 0.00 54.97 54.60 2p5d s GLU 103 Cb -0.19 -2.00 0.07 0.00 -1.78 0.00 0.00 34.13 30.23 2p5d s GLU 103 CO 0.13 -0.68 1.09 -1.25 -0.49 0.00 0.00 175.26 174.06 2p5d s PRO 104 N 1.94 2.05 0.74 0.39 0.04 -1.26 -5.11 135.00 133.78 2p5d s PRO 104 Ca 0.01 1.07 -0.14 0.00 0.04 0.00 0.00 61.00 61.98 2p5d s PRO 104 Cb -0.17 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.54 2p5d s PRO 104 CO -0.10 -1.76 1.18 -1.25 0.04 0.00 0.00 177.00 175.11 2p5d s PRO 105 N -4.92 2.12 -0.17 0.56 0.04 -1.06 -4.94 135.00 126.64 2p5d s PRO 105 Ca 0.62 1.66 -0.27 0.00 0.04 0.00 0.00 61.00 63.05 2p5d s PRO 105 Cb -0.17 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 2p5d s PRO 105 CO 0.56 -1.82 0.90 0.42 0.04 0.00 0.00 177.00 177.10 2p5d s ILE 106 N -2.14 4.83 -0.42 0.56 1.01 -1.07 -4.90 121.20 119.07 2p5d s ILE 106 Ca 0.72 1.78 -0.29 0.00 0.00 0.00 0.00 60.65 62.86 2p5d s ILE 106 Cb -0.27 -4.20 0.01 0.00 0.01 0.00 0.00 42.46 38.01 2p5d s ILE 106 CO 0.46 -0.01 1.36 0.21 0.00 0.00 0.00 174.94 176.96 2p5d s ASN 107 N 1.16 6.40 0.41 3.58 3.84 -1.26 -0.50 114.94 128.56 2p5d s ASN 107 Ca 0.41 0.79 0.13 0.00 0.21 0.00 0.00 52.86 54.41 2p5d s ASN 107 Cb -0.17 -2.54 0.97 0.00 -0.55 0.00 0.00 41.25 38.96 2p5d s ASN 107 CO 0.12 -1.39 1.92 0.15 -2.79 0.00 0.00 177.10 175.12 2p5d h PHE 108 N 10.40 0.57 0.00 0.43 3.57 -1.33 -1.15 116.94 129.43 2p5d h PHE 108 Ca -0.27 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.24 2p5d h PHE 108 Cb 1.10 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 2p5d h PHE 108 CO 0.96 0.24 -0.05 0.87 -2.23 0.00 0.00 178.31 178.10 2p5d h LYS 109 N 0.51 0.00 0.00 1.11 1.57 -1.90 -1.49 116.57 116.37 2p5d h LYS 109 Ca 0.36 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.10 2p5d h LYS 109 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2p5d h LYS 109 CO -0.13 0.05 -0.22 0.93 -0.57 0.00 0.00 179.45 179.51 2p5d h GLU 110 N 0.00 0.00 0.00 3.15 4.39 -1.60 -3.14 114.58 117.39 2p5d h GLU 110 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2p5d h GLU 110 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2p5d h GLU 110 CO 0.01 0.22 -0.67 -0.07 -1.16 0.00 0.00 179.01 177.33 2p5d h LEU 111 N 0.00 0.00 -0.98 1.33 3.38 -1.34 -3.41 115.31 114.29 2p5d h LEU 111 Ca -0.00 -0.05 0.18 0.00 0.09 0.00 0.00 57.88 58.09 2p5d h LEU 111 Cb 0.81 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.38 2p5d h LEU 111 CO 0.03 0.03 -0.30 0.40 0.09 0.00 0.00 178.44 178.68 2p5d h ILE 112 N 0.00 0.02 -0.75 1.22 1.08 -1.47 -0.38 117.51 117.22 2p5d h ILE 112 Ca 0.00 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.59 2p5d h ILE 112 Cb 0.93 0.02 -0.05 0.00 -3.07 0.00 0.00 36.82 34.64 2p5d h ILE 112 CO 0.00 0.00 0.50 -0.65 -0.69 0.00 0.00 178.15 177.31 2p5d h PRO 113 N -0.00 0.55 -0.01 2.37 0.11 -1.83 -2.94 132.00 130.25 2p5d h PRO 113 Ca 0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.49 2p5d h PRO 113 Cb 0.67 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.65 2p5d h PRO 113 CO -0.99 0.36 -0.68 1.63 -0.21 0.00 0.00 178.00 178.11 2p5d n LYS 114 N -4.50 0.53 -2.57 1.05 5.02 -0.22 -4.90 118.16 112.58 2p5d n LYS 114 Ca 0.13 -0.42 -0.43 0.00 -2.02 0.00 0.00 58.31 55.57 2p5d n LYS 114 Cb 0.41 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.91 2p5d n LYS 114 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2p5d s LEU 115 N -2.76 3.99 0.26 -0.35 1.43 -0.82 -4.92 118.68 115.50 2p5d s LEU 115 Ca 0.14 1.23 -0.03 0.00 -1.03 0.00 0.00 54.13 54.43 2p5d s LEU 115 Cb 0.17 -3.54 0.32 0.00 0.03 0.00 0.00 46.19 43.17 2p5d s LEU 115 CO 0.71 -0.87 1.79 0.50 0.23 0.00 0.00 176.35 178.71 2p5d h LYS 116 N 8.23 0.91 0.00 1.70 3.64 -1.90 -2.77 116.57 126.38 2p5d h LYS 116 Ca -0.22 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2p5d h LYS 116 Cb 1.07 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2p5d h LYS 116 CO 1.02 0.82 0.00 0.27 -2.27 0.00 0.00 179.45 179.29 2p5d h PHE 117 N 0.87 0.00 -2.81 1.91 -5.15 -1.97 -3.36 116.94 106.42 2p5d h PHE 117 Ca 0.19 0.00 -0.68 0.00 -0.20 0.00 0.00 57.97 57.27 2p5d h PHE 117 Cb 0.33 0.00 -0.18 0.00 0.22 0.00 0.00 35.95 36.32 2p5d h PHE 117 CO 0.02 0.00 0.32 0.42 -2.00 0.00 0.00 178.31 177.08 2p5d s ILE 118 N -3.61 4.70 -0.15 0.88 -1.09 -1.05 -4.84 121.20 116.05 2p5d s ILE 118 Ca 0.01 -0.95 0.17 0.00 -2.23 0.00 0.00 60.65 57.65 2p5d s ILE 118 Cb 0.09 -4.58 -0.08 0.00 -1.58 0.00 0.00 42.46 36.32 2p5d s ILE 118 CO 0.46 -1.27 0.98 0.71 -1.23 0.00 0.00 174.94 174.59 2p5d h THR 119 N 5.88 0.50 -3.71 2.92 1.35 -1.83 -3.41 112.91 114.61 2p5d h THR 119 Ca -0.22 -1.90 -0.78 0.00 -0.55 0.00 0.00 66.41 62.95 2p5d h THR 119 Cb 1.07 2.04 -0.26 0.00 -1.73 0.00 0.00 68.15 69.27 2p5d h THR 119 CO 1.11 0.29 0.04 0.21 -0.25 0.00 0.00 175.52 176.92 2p5d s ASN 120 N -5.87 6.64 0.50 5.36 3.84 -1.26 -4.90 114.94 119.26 2p5d s ASN 120 Ca -0.01 -2.57 0.28 0.00 0.21 0.00 0.00 52.86 50.77 2p5d s ASN 120 Cb 0.09 -2.20 1.29 0.00 -0.55 0.00 0.00 41.25 39.87 2p5d s ASN 120 CO 0.79 -0.61 1.98 0.11 -2.79 0.00 0.00 177.10 176.59 2p5d h LYS 121 N 7.92 0.00 0.03 0.43 1.79 -1.93 -3.28 116.57 121.52 2p5d h LYS 121 Ca 0.05 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.32 2p5d h LYS 121 Cb 1.05 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.68 2p5d h LYS 121 CO 0.79 0.14 -1.04 0.87 -1.08 0.00 0.00 179.45 179.14 2p5d h LYS 122 N 0.00 0.05 -4.56 3.15 1.57 -1.98 -3.44 116.57 111.36 2p5d h LYS 122 Ca -0.00 -0.09 -0.65 0.00 -1.87 0.00 0.00 60.65 58.04 2p5d h LYS 122 Cb 0.49 0.03 -0.40 0.00 0.08 0.00 0.00 32.23 32.44 2p5d h LYS 122 CO 0.02 1.04 -0.73 1.03 -0.57 0.00 0.00 179.45 180.24 2p5d s ARG 123 N -2.36 1.46 0.00 3.15 1.81 -1.24 -4.87 118.95 116.90 2p5d s ARG 123 Ca -0.25 -1.71 0.00 0.00 -1.72 0.00 0.00 55.73 52.05 2p5d s ARG 123 Cb 0.04 -3.02 0.00 0.00 -0.45 0.00 0.00 34.95 31.52 2p5d s ARG 123 CO 0.65 -0.90 0.00 -2.67 -0.68 0.00 0.00 175.30 171.70 2p5d n TRP 124 N 4.35 0.00 0.13 -0.53 4.27 -1.25 -4.74 117.44 119.68 2p5d n TRP 124 Ca 0.01 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.49 2p5d n TRP 124 Cb 0.42 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.29 2p5d n TRP 124 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 2p5d h SER 125 N 0.00 -1.23 -0.31 -0.67 0.87 -1.92 -3.44 113.55 106.86 2p5d h SER 125 Ca 0.00 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.65 2p5d h SER 125 Cb 0.54 0.44 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 2p5d h SER 125 CO 0.00 -0.47 0.16 0.61 -0.53 0.00 0.00 176.83 176.60 2p5d n GLY 126 N -1.41 -0.18 1.31 5.77 0.00 -1.26 -5.07 105.19 104.34 2p5d n GLY 126 Ca -0.08 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2p5d n GLY 126 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2p5d n MET 129 N 8.54 0.00 -0.89 1.61 2.81 -1.26 -5.03 117.12 122.90 2p5d n MET 129 Ca 0.48 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.37 2p5d n MET 129 Cb 0.41 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.92 2p5d n MET 129 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2p5d n GLY 130 N 0.00 0.19 2.89 3.03 0.00 -1.26 -4.95 105.19 105.10 2p5d n GLY 130 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2p5d n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p5d s LYS 131 N -1.19 0.11 0.13 1.61 -2.85 -1.26 -5.03 119.74 111.26 2p5d s LYS 131 Ca 0.00 -0.07 0.17 0.00 -1.00 0.00 0.00 55.97 55.07 2p5d s LYS 131 Cb 0.00 -0.08 -0.07 0.00 -2.06 0.00 0.00 37.83 35.62 2p5d s LYS 131 CO 0.00 0.02 1.00 0.00 0.10 0.00 0.00 175.35 176.47 2p5d h ALA 132 N 6.05 0.64 -3.14 0.59 0.00 -1.92 -3.44 119.26 118.04 2p5d h ALA 132 Ca -0.25 -0.65 -0.18 0.00 0.00 0.00 0.00 54.91 53.83 2p5d h ALA 132 Cb 1.21 0.16 -0.23 0.00 0.00 0.00 0.00 17.79 18.93 2p5d h ALA 132 CO 0.50 0.74 -0.63 -1.64 0.00 0.00 0.00 179.25 178.23 2p5d s MET 133 N -2.98 0.27 -0.03 0.00 -1.94 -1.26 -1.20 119.30 112.15 2p5d s MET 133 Ca -0.01 -0.30 -0.00 0.00 -1.71 0.00 0.00 55.69 53.66 2p5d s MET 133 Cb 0.08 0.11 0.03 0.00 2.01 0.00 0.00 34.83 37.06 2p5d s MET 133 CO 0.79 -0.05 0.05 0.50 -0.01 0.00 0.00 175.02 176.30 2p5d s ARG 134 N -0.90 -0.02 0.37 2.03 3.00 -0.13 -4.97 118.95 118.33 2p5d s ARG 134 Ca -0.10 0.21 -0.25 0.00 -1.00 0.00 0.00 55.73 54.60 2p5d s ARG 134 Cb -0.06 -0.23 -0.10 0.00 0.00 0.00 0.00 34.95 34.56 2p5d s ARG 134 CO 0.00 -0.16 0.99 -2.00 0.00 0.00 0.00 175.30 174.13 2p5d s GLU 135 N 1.06 4.37 0.11 5.12 2.12 -1.26 0.47 118.70 130.69 2p5d s GLU 135 Ca -0.09 1.38 0.04 0.00 0.36 0.00 0.00 54.97 56.66 2p5d s GLU 135 Cb -0.12 -2.62 -0.04 0.00 0.26 0.00 0.00 34.13 31.61 2p5d s GLU 135 CO -0.03 0.07 -0.10 0.96 -0.54 0.00 0.00 175.26 175.62 2p5d s ILE 136 N -1.70 0.97 0.54 -3.70 -4.36 -0.01 -4.85 121.20 108.09 2p5d s ILE 136 Ca 0.55 -1.73 -0.18 0.00 -0.26 0.00 0.00 60.65 59.03 2p5d s ILE 136 Cb -0.19 -1.47 -0.06 0.00 1.25 0.00 0.00 42.46 42.00 2p5d s ILE 136 CO 0.24 -0.61 1.04 -2.16 0.24 0.00 0.00 174.94 173.69 2p5d s PRO 137 N -3.02 3.58 0.33 0.37 0.04 -1.26 -4.10 135.00 130.95 2p5d s PRO 137 Ca 0.08 1.23 0.10 0.00 0.04 0.00 0.00 61.00 62.44 2p5d s PRO 137 Cb -0.01 -2.07 0.86 0.00 0.04 0.00 0.00 34.50 33.31 2p5d s PRO 137 CO -0.00 -0.60 1.78 1.49 0.04 0.00 0.00 177.00 179.71 2p5d h GLU 138 N 0.92 0.62 -0.14 4.56 4.81 -1.95 -0.08 114.58 123.32 2p5d h GLU 138 Ca -0.48 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.66 2p5d h GLU 138 Cb 1.22 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 2p5d h GLU 138 CO 0.59 0.41 -0.18 1.05 -0.73 0.00 0.00 179.01 180.15 2p5d h GLU 139 N 0.64 0.24 0.02 1.92 4.11 -1.99 0.50 114.58 120.03 2p5d h GLU 139 Ca 0.58 -0.06 -0.22 0.00 0.07 0.00 0.00 59.36 59.73 2p5d h GLU 139 Cb 1.07 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 2p5d h GLU 139 CO -0.36 0.42 -0.96 -0.44 0.07 0.00 0.00 179.01 177.73 2p5d h ASP 140 N 0.22 0.37 -0.46 3.06 3.32 -1.41 -2.10 116.42 119.42 2p5d h ASP 140 Ca 0.04 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 2p5d h ASP 140 Cb 0.45 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 2p5d h ASP 140 CO 0.03 1.14 0.21 0.22 -1.72 0.00 0.00 179.24 179.12 2p5d h TYR 141 N 0.14 0.68 -0.54 4.55 3.20 -0.78 -1.72 116.97 122.52 2p5d h TYR 141 Ca -0.07 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.76 2p5d h TYR 141 Cb 1.61 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 39.65 2p5d h TYR 141 CO 0.04 0.56 0.35 0.87 -1.64 0.00 0.00 178.16 178.34 2p5d h LYS 142 N 0.61 0.71 -0.70 1.82 1.57 -0.85 0.76 116.57 120.48 2p5d h LYS 142 Ca 0.16 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 2p5d h LYS 142 Cb 0.15 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.25 2p5d h LYS 142 CO -0.02 0.48 0.42 1.25 -0.57 0.00 0.00 179.45 181.01 2p5d h LEU 143 N 0.73 0.65 0.44 2.94 5.85 -1.09 -1.71 115.31 123.12 2p5d h LEU 143 Ca 0.20 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 2p5d h LEU 143 Cb -0.07 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.85 2p5d h LEU 143 CO -0.04 0.43 -0.21 0.40 -0.34 0.00 0.00 178.44 178.67 2p5d h ILE 144 N 0.78 0.02 -0.00 4.05 2.04 -0.86 -3.28 117.51 120.26 2p5d h ILE 144 Ca 0.30 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2p5d h ILE 144 Cb 0.13 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.24 2p5d h ILE 144 CO -0.15 0.00 0.03 1.62 0.00 0.00 0.00 178.15 179.65 2p5d h VAL 145 N -1.16 0.05 -0.01 1.67 3.04 -0.89 -0.12 116.25 118.83 2p5d h VAL 145 Ca -0.06 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 2p5d h VAL 145 Cb 0.46 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.71 2p5d h VAL 145 CO 0.10 0.00 -0.04 0.61 -1.01 0.00 0.00 177.57 177.23 2p5d n GLY 146 N -1.12 -0.43 0.00 3.17 0.00 -0.64 -5.08 105.19 101.09 2p5d n GLY 146 Ca -0.03 -0.36 0.07 0.00 0.00 0.00 0.00 46.02 45.71 2p5d n GLY 146 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02