#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5d s LYS 2 N 0.00 4.53 0.15 0.03 -2.85 -1.26 -2.22 119.74 118.11 3d5d s LYS 2 Ca 0.00 1.62 -0.01 0.00 -1.00 0.00 0.00 55.97 56.58 3d5d s LYS 2 Cb 0.00 -3.37 -0.04 0.00 -2.06 0.00 0.00 37.83 32.36 3d5d s LYS 2 CO 0.00 -0.08 0.07 0.14 0.10 0.00 0.00 175.35 175.57 3d5d s VAL 3 N 0.69 0.10 -0.27 1.79 -7.23 -1.19 -1.88 120.40 112.42 3d5d s VAL 3 Ca 0.54 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.79 3d5d s VAL 3 Cb -0.26 -2.14 0.07 0.00 0.56 0.00 0.00 36.38 34.61 3d5d s VAL 3 CO 0.30 -0.37 -0.02 -0.51 -0.31 0.00 0.00 175.10 174.19 3d5d s ILE 4 N -4.06 1.67 -0.22 -0.62 1.10 -0.35 -3.37 121.20 115.36 3d5d s ILE 4 Ca 0.27 -1.52 -0.24 0.00 -0.51 0.00 0.00 60.65 58.65 3d5d s ILE 4 Cb 0.07 -2.02 -0.01 0.00 0.15 0.00 0.00 42.46 40.66 3d5d s ILE 4 CO 0.04 -0.27 0.81 -1.48 -2.11 0.00 0.00 174.94 171.94 3d5d s LEU 5 N 1.29 4.11 -0.77 8.50 2.34 -1.23 -1.07 118.68 131.85 3d5d s LEU 5 Ca -0.01 1.06 -0.01 0.00 0.06 0.00 0.00 54.13 55.23 3d5d s LEU 5 Cb -0.19 -3.18 0.36 0.00 -0.56 0.00 0.00 46.19 42.63 3d5d s LEU 5 CO -0.09 -0.46 1.83 0.00 -1.06 0.00 0.00 176.35 176.57 3d5d n LEU 6 N 5.71 6.95 -3.65 1.48 -0.00 -0.02 -1.02 117.00 126.46 3d5d n LEU 6 Ca 0.05 -4.94 -0.03 0.00 -0.00 0.00 0.00 56.01 51.09 3d5d n LEU 6 Cb 0.48 -0.95 -0.07 0.00 -0.00 0.00 0.00 43.42 42.89 3d5d n LEU 6 CO 0.47 1.87 0.85 -0.70 -0.00 0.00 0.00 177.39 179.88 3d5d s GLU 7 N -3.98 0.27 -0.65 1.47 2.56 -1.25 -4.97 118.70 112.15 3d5d s GLU 7 Ca 0.51 0.41 -0.26 0.00 0.00 0.00 0.00 54.97 55.63 3d5d s GLU 7 Cb 0.42 0.08 -0.12 0.00 2.00 0.00 0.00 34.13 36.52 3d5d s GLU 7 CO -0.36 -0.05 2.43 -0.35 -0.56 0.00 0.00 175.26 176.37 3d5d n PRO 8 N 2.92 0.75 -3.92 4.30 -0.04 -1.26 -4.36 135.00 133.38 3d5d n PRO 8 Ca -0.16 -0.26 -0.35 0.00 -0.04 0.00 0.00 63.50 62.69 3d5d n PRO 8 Cb 0.57 -3.24 -0.10 0.00 -0.04 0.00 0.00 33.50 30.69 3d5d n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3d5d s LEU 9 N 12.20 3.88 0.00 1.53 1.43 -0.16 -5.01 118.68 132.55 3d5d s LEU 9 Ca 1.02 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 3d5d s LEU 9 Cb -0.29 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 43.94 3d5d s LEU 9 CO 0.24 0.16 0.57 -0.62 0.23 0.00 0.00 176.35 176.93 3d5d n GLU 10 N 3.66 0.00 -0.22 1.70 -0.58 -1.26 -1.13 120.64 122.81 3d5d n GLU 10 Ca -0.16 0.38 -0.01 0.00 -0.42 0.00 0.00 57.16 56.95 3d5d n GLU 10 Cb 0.52 -1.07 0.20 0.00 -0.57 0.00 0.00 31.44 30.52 3d5d n GLU 10 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 3d5d h ASN 11 N 0.00 0.89 0.00 1.62 -1.24 -2.02 -3.35 115.58 111.48 3d5d h ASN 11 Ca 0.00 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.94 3d5d h ASN 11 Cb 0.00 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 38.82 3d5d h ASN 11 CO 0.00 0.72 0.00 0.18 -1.29 0.00 0.00 177.43 177.04 3d5d n LEU 12 N -4.36 1.61 0.00 0.34 7.99 -1.18 -5.09 117.00 116.32 3d5d n LEU 12 Ca 0.07 0.23 0.00 0.00 -0.01 0.00 0.00 56.01 56.30 3d5d n LEU 12 Cb 0.10 -0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.41 3d5d n LEU 12 CO 0.38 -0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.87 3d5d n GLY 13 N 1.12 -1.11 3.94 -0.72 0.00 -0.28 -5.03 105.19 103.11 3d5d n GLY 13 Ca 0.00 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 3d5d n GLY 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d5d s ASP 14 N -4.00 3.71 0.49 1.61 1.01 -1.26 -0.99 116.67 117.25 3d5d s ASP 14 Ca 0.00 0.25 -0.23 0.00 0.71 0.00 0.00 52.55 53.29 3d5d s ASP 14 Cb 0.00 -0.49 -0.06 0.00 1.01 0.00 0.00 42.92 43.38 3d5d s ASP 14 CO 0.00 -2.34 1.30 -0.69 0.21 0.00 0.00 175.17 173.65 3d5d s VAL 15 N -3.65 2.44 0.00 -1.27 1.01 -1.26 -3.27 120.40 114.40 3d5d s VAL 15 Ca 0.69 0.34 0.00 0.00 0.00 0.00 0.00 61.98 63.02 3d5d s VAL 15 Cb -0.06 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.14 3d5d s VAL 15 CO 0.50 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3d5d n GLY 16 N 0.63 2.20 3.80 4.51 0.00 -0.19 -4.97 105.19 111.16 3d5d n GLY 16 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3d5d n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d5d s GLN 17 N -0.37 2.23 -0.25 1.61 -0.21 -1.20 -4.89 119.66 116.58 3d5d s GLN 17 Ca 0.00 0.75 0.01 0.00 0.02 0.00 0.00 55.36 56.14 3d5d s GLN 17 Cb 0.00 -1.93 0.07 0.00 1.00 0.00 0.00 33.01 32.15 3d5d s GLN 17 CO 0.00 -1.54 -0.03 0.08 -2.12 0.00 0.00 175.29 171.67 3d5d s VAL 18 N -3.10 1.55 -0.00 1.09 1.01 -1.26 -3.46 120.40 116.22 3d5d s VAL 18 Ca 0.60 -1.34 0.04 0.00 0.00 0.00 0.00 61.98 61.28 3d5d s VAL 18 Cb -0.15 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 3d5d s VAL 18 CO 0.55 -0.19 -0.14 0.54 0.00 0.00 0.00 175.10 175.86 3d5d s VAL 19 N 1.36 1.08 -0.33 2.92 0.11 -1.22 -4.97 120.40 119.36 3d5d s VAL 19 Ca -0.03 -0.65 -0.19 0.00 -2.93 0.00 0.00 61.98 58.18 3d5d s VAL 19 Cb -0.19 -0.91 -0.01 0.00 -1.53 0.00 0.00 36.38 33.74 3d5d s VAL 19 CO -0.08 0.25 0.55 -1.81 -3.33 0.00 0.00 175.10 170.68 3d5d s ASP 20 N -0.47 6.38 0.53 3.54 1.11 -1.26 -3.15 116.67 123.34 3d5d s ASP 20 Ca 0.05 0.16 0.06 0.00 0.18 0.00 0.00 52.55 53.00 3d5d s ASP 20 Cb -0.06 -2.29 0.03 0.00 1.07 0.00 0.00 42.92 41.68 3d5d s ASP 20 CO -0.00 -0.46 0.40 0.68 1.18 0.00 0.00 175.17 176.97 3d5d s VAL 21 N 2.45 1.78 0.29 -1.27 -7.23 -0.94 -4.79 120.40 110.68 3d5d s VAL 21 Ca 0.21 -1.48 -0.29 0.00 -1.81 0.00 0.00 61.98 58.61 3d5d s VAL 21 Cb -0.15 -2.26 -0.10 0.00 0.56 0.00 0.00 36.38 34.43 3d5d s VAL 21 CO 0.13 0.00 1.42 -0.54 -0.31 0.00 0.00 175.10 175.80 3d5d s LYS 22 N -4.26 4.26 0.05 4.82 1.02 -1.26 -0.52 119.74 123.85 3d5d s LYS 22 Ca 0.36 2.33 -0.10 0.00 0.02 0.00 0.00 55.97 58.58 3d5d s LYS 22 Cb -0.02 -3.08 -0.03 0.00 -0.52 0.00 0.00 37.83 34.19 3d5d s LYS 22 CO 0.22 -0.39 1.18 -1.35 -0.92 0.00 0.00 175.35 174.09 3d5d h PRO 23 N 4.37 -0.04 -0.61 -1.68 0.11 -1.98 -1.95 132.00 130.22 3d5d h PRO 23 Ca -0.47 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.75 3d5d h PRO 23 Cb 1.22 0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.25 3d5d h PRO 23 CO 0.73 -0.02 0.14 0.78 -0.21 0.00 0.00 178.00 179.41 3d5d h GLY 24 N -0.04 0.78 0.73 -0.55 0.00 -1.97 -0.35 103.07 101.68 3d5d h GLY 24 Ca 0.04 -0.03 0.16 0.00 0.00 0.00 0.00 47.33 47.50 3d5d h GLY 24 CO -0.27 -0.11 0.48 -1.82 0.00 0.00 0.00 176.54 174.82 3d5d h TYR 25 N 0.27 0.00 0.00 5.60 -0.00 -1.74 0.27 116.97 121.37 3d5d h TYR 25 Ca 0.32 0.00 -0.34 0.00 -0.00 0.00 0.00 58.73 58.71 3d5d h TYR 25 Cb 0.47 0.00 -0.06 0.00 -0.00 0.00 0.00 36.73 37.14 3d5d h TYR 25 CO -0.24 0.00 -2.29 0.00 -0.00 0.00 0.00 178.16 175.63 3d5d n ALA 26 N -2.49 1.58 0.10 1.82 0.00 -0.34 -2.47 120.51 118.70 3d5d n ALA 26 Ca 0.10 -1.23 0.01 0.00 0.00 0.00 0.00 53.44 52.32 3d5d n ALA 26 Cb 0.70 -0.29 -0.02 0.00 0.00 0.00 0.00 19.45 19.84 3d5d n ALA 26 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3d5d h ARG 27 N 0.00 0.00 -0.04 0.00 2.43 0.49 -0.08 114.38 117.18 3d5d h ARG 27 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3d5d h ARG 27 Cb 2.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.70 3d5d h ARG 27 CO 0.03 0.52 0.00 0.09 -1.51 0.00 0.00 179.97 179.11 3d5d n ASN 28 N -3.17 1.78 0.00 -3.80 3.02 0.78 -4.45 115.26 109.42 3d5d n ASN 28 Ca -0.01 -1.64 0.00 0.00 -0.03 0.00 0.00 54.58 52.90 3d5d n ASN 28 Cb 0.79 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.93 3d5d n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d5d n TYR 29 N -0.14 -0.27 0.00 3.10 9.36 -1.23 -4.85 117.16 123.13 3d5d n TYR 29 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 3d5d n TYR 29 Cb 0.19 0.32 0.00 0.00 -0.63 0.00 0.00 39.34 39.23 3d5d n TYR 29 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3d5d n LEU 30 N -1.97 0.00 -0.15 2.98 4.77 -1.03 -0.75 117.00 120.84 3d5d n LEU 30 Ca 0.00 0.82 -0.03 0.00 -0.03 0.00 0.00 56.01 56.77 3d5d n LEU 30 Cb 0.00 -0.32 0.05 0.00 -2.33 0.00 0.00 43.42 40.82 3d5d n LEU 30 CO 0.00 -0.32 0.85 0.25 -1.33 0.00 0.00 177.39 176.84 3d5d h LEU 31 N 0.00 -0.19 -0.37 2.23 5.85 -1.10 -1.43 115.31 120.30 3d5d h LEU 31 Ca 0.00 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3d5d h LEU 31 Cb 0.00 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3d5d h LEU 31 CO 0.00 -0.06 0.20 -0.65 -0.34 0.00 0.00 178.44 177.59 3d5d h PRO 32 N 0.12 0.51 -0.38 5.25 0.11 -1.72 -2.79 132.00 133.09 3d5d h PRO 32 Ca 0.24 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3d5d h PRO 32 Cb 0.35 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.36 3d5d h PRO 32 CO -0.39 0.42 0.00 0.54 -0.21 0.00 0.00 178.00 178.36 3d5d n ARG 33 N -4.76 1.70 -3.06 1.05 1.74 0.07 -4.92 116.66 108.48 3d5d n ARG 33 Ca -0.00 -0.87 -0.13 0.00 -0.77 0.00 0.00 57.85 56.08 3d5d n ARG 33 Cb 0.08 -1.31 0.06 0.00 -1.02 0.00 0.00 32.46 30.26 3d5d n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d5d n GLY 34 N 0.71 -0.94 0.43 -0.13 0.00 -0.72 -4.97 105.19 99.57 3d5d n GLY 34 Ca 0.08 0.49 -0.04 0.00 0.00 0.00 0.00 46.02 46.56 3d5d n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d5d n LEU 35 N -3.02 1.70 -4.38 0.99 4.77 -0.62 -5.01 117.00 111.44 3d5d n LEU 35 Ca -0.06 0.01 -0.20 0.00 -0.03 0.00 0.00 56.01 55.74 3d5d n LEU 35 Cb 0.61 -0.13 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 3d5d n LEU 35 CO 0.52 0.34 -0.22 0.00 -1.33 0.00 0.00 177.39 176.70 3d5d s ALA 36 N -2.08 2.11 -0.01 -1.18 0.00 -1.25 -0.84 121.76 118.52 3d5d s ALA 36 Ca -0.06 -1.75 0.03 0.00 0.00 0.00 0.00 51.96 50.18 3d5d s ALA 36 Cb 0.02 0.98 -0.01 0.00 0.00 0.00 0.00 23.12 24.12 3d5d s ALA 36 CO 0.08 -0.44 -0.09 0.08 0.00 0.00 0.00 175.76 175.40 3d5d s VAL 37 N -3.54 0.70 -0.49 0.00 1.01 -0.23 -3.82 120.40 114.03 3d5d s VAL 37 Ca 0.34 -0.38 -0.35 0.00 0.00 0.00 0.00 61.98 61.59 3d5d s VAL 37 Cb 0.06 -0.59 -0.14 0.00 0.00 0.00 0.00 36.38 35.71 3d5d s VAL 37 CO 0.16 0.20 2.29 -0.11 0.00 0.00 0.00 175.10 177.63 3d5d n LEU 38 N 2.86 1.60 -4.42 3.92 7.94 -1.26 -1.21 117.00 126.43 3d5d n LEU 38 Ca -0.13 0.32 -0.32 0.00 -1.11 0.00 0.00 56.01 54.76 3d5d n LEU 38 Cb 0.57 -1.18 -0.05 0.00 0.53 0.00 0.00 43.42 43.29 3d5d n LEU 38 CO 0.25 -0.83 1.66 0.00 -1.11 0.00 0.00 177.39 177.36 3d5d n ALA 39 N 10.21 2.27 -1.91 1.96 0.00 -0.79 -4.84 120.51 127.42 3d5d n ALA 39 Ca 0.47 -3.16 -0.29 0.00 0.00 0.00 0.00 53.44 50.46 3d5d n ALA 39 Cb 0.18 -3.52 0.11 0.00 0.00 0.00 0.00 19.45 16.23 3d5d n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3d5d s THR 40 N 9.33 2.00 0.65 0.00 -4.23 -1.26 -4.81 115.64 117.32 3d5d s THR 40 Ca 0.65 -0.00 0.42 0.00 -1.18 0.00 0.00 61.69 61.58 3d5d s THR 40 Cb 0.02 -3.00 0.43 0.00 1.34 0.00 0.00 72.50 71.30 3d5d s THR 40 CO 0.13 0.00 2.35 -0.08 -0.54 0.00 0.00 174.62 176.48 3d5d h GLU 41 N -1.20 0.00 0.23 3.99 4.81 -2.00 -1.62 114.58 118.79 3d5d h GLU 41 Ca -0.46 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 3d5d h GLU 41 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 3d5d h GLU 41 CO 0.59 0.00 -0.11 1.03 -0.73 0.00 0.00 179.01 179.79 3d5d h SER 42 N 0.00 -0.26 0.48 1.04 0.87 -1.95 -3.25 113.55 110.47 3d5d h SER 42 Ca -0.00 -0.24 -0.10 0.00 -1.23 0.00 0.00 61.79 60.22 3d5d h SER 42 Cb 0.00 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3d5d h SER 42 CO 0.00 0.24 -0.45 0.78 -0.53 0.00 0.00 176.83 176.87 3d5d h ASN 43 N -0.92 0.00 -0.33 6.23 2.35 -1.78 -2.39 115.58 118.74 3d5d h ASN 43 Ca -0.03 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.74 3d5d h ASN 43 Cb 0.49 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 3d5d h ASN 43 CO 0.05 0.45 0.22 -0.07 -1.65 0.00 0.00 177.43 176.44 3d5d h LEU 44 N 0.00 0.30 0.08 1.61 3.38 -1.42 0.08 115.31 119.34 3d5d h LEU 44 Ca -0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3d5d h LEU 44 Cb 0.82 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3d5d h LEU 44 CO 0.06 0.21 -0.04 0.11 0.09 0.00 0.00 178.44 178.87 3d5d h LYS 45 N 0.35 -0.10 0.00 1.13 1.79 -1.46 -2.99 116.57 115.29 3d5d h LYS 45 Ca 0.13 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.61 3d5d h LYS 45 Cb 0.10 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 3d5d h LYS 45 CO -0.03 0.44 -0.00 0.00 -1.08 0.00 0.00 179.45 178.78 3d5d h ALA 46 N 0.04 1.01 0.01 3.86 0.00 -1.26 0.01 119.26 122.93 3d5d h ALA 46 Ca -0.01 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 3d5d h ALA 46 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3d5d h ALA 46 CO 0.02 0.00 -0.96 1.25 0.00 0.00 0.00 179.25 179.56 3d5d h LEU 47 N 0.00 0.47 -1.56 0.00 5.85 -0.97 -2.86 115.31 116.24 3d5d h LEU 47 Ca -0.00 -0.39 -0.05 0.00 0.84 0.00 0.00 57.88 58.28 3d5d h LEU 47 Cb 0.05 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3d5d h LEU 47 CO 0.00 1.20 -0.23 -0.33 -0.34 0.00 0.00 178.44 178.74 3d5d h GLU 48 N 0.19 0.00 -0.12 1.25 4.39 -0.84 -1.31 114.58 118.15 3d5d h GLU 48 Ca -0.08 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 3d5d h GLU 48 Cb 1.60 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.25 3d5d h GLU 48 CO 0.16 0.23 -0.01 0.00 -1.16 0.00 0.00 179.01 178.23 3d5d h ALA 49 N 1.77 0.16 -1.00 3.43 0.00 -1.42 0.99 119.26 123.19 3d5d h ALA 49 Ca -0.00 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.86 3d5d h ALA 49 Cb 0.44 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 3d5d h ALA 49 CO 0.03 -0.13 0.61 0.00 0.00 0.00 0.00 179.25 179.77 3d5d h ARG 50 N -0.08 0.85 0.19 0.00 2.47 -1.15 0.17 114.38 116.83 3d5d h ARG 50 Ca 0.03 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 3d5d h ARG 50 Cb 0.40 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 3d5d h ARG 50 CO 0.01 0.56 -0.09 0.82 0.56 0.00 0.00 179.97 181.83 3d5d h ILE 51 N 0.88 0.00 -0.67 2.04 1.08 -1.09 -3.04 117.51 116.71 3d5d h ILE 51 Ca 0.53 -0.47 0.09 0.00 -0.39 0.00 0.00 64.86 64.62 3d5d h ILE 51 Cb 0.68 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.36 3d5d h ILE 51 CO -0.32 0.00 0.32 0.03 -0.69 0.00 0.00 178.15 177.49 3d5d h ARG 52 N -0.72 0.54 0.00 2.37 3.08 -0.74 0.11 114.38 119.02 3d5d h ARG 52 Ca -0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3d5d h ARG 52 Cb 0.20 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3d5d h ARG 52 CO 0.04 0.36 0.00 0.00 -1.07 0.00 0.00 179.97 179.30 3d5d n ALA 53 N -2.41 -0.38 -0.11 0.04 0.00 0.57 -1.65 120.51 116.57 3d5d n ALA 53 Ca 0.10 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.81 3d5d n ALA 53 Cb 0.26 0.07 0.71 0.00 0.00 0.00 0.00 19.45 20.48 3d5d n ALA 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3d5d h GLN 54 N 0.00 0.00 0.00 0.00 4.15 -1.44 0.74 115.11 118.56 3d5d h GLN 54 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3d5d h GLN 54 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3d5d h GLN 54 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 176.90 3d5d n ALA 55 N -2.53 -0.25 0.66 3.38 0.00 0.36 -2.80 120.51 119.34 3d5d n ALA 55 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.67 3d5d n ALA 55 Cb 0.96 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.75 3d5d n ALA 55 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3d5d n LYS 56 N -1.82 0.23 0.02 0.00 2.85 -0.66 -0.67 118.16 118.12 3d5d n LYS 56 Ca 0.00 0.13 -0.19 0.00 -1.05 0.00 0.00 58.31 57.21 3d5d n LYS 56 Cb 0.00 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 32.76 3d5d n LYS 56 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 3d5d h ARG 57 N 0.00 0.41 0.00 -1.58 2.43 -0.88 -2.41 114.38 112.35 3d5d h ARG 57 Ca 0.00 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3d5d h ARG 57 Cb 0.10 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3d5d h ARG 57 CO 0.00 1.17 -1.16 1.28 -1.51 0.00 0.00 179.97 179.75 3d5d n LEU 58 N -4.14 0.63 0.23 3.80 4.77 -0.98 -2.79 117.00 118.52 3d5d n LEU 58 Ca -0.12 0.19 0.13 0.00 -0.03 0.00 0.00 56.01 56.18 3d5d n LEU 58 Cb 0.75 -0.07 0.35 0.00 -2.33 0.00 0.00 43.42 42.12 3d5d n LEU 58 CO 0.49 -0.10 0.84 0.00 -1.33 0.00 0.00 177.39 177.28 3d5d h ALA 59 N 2.15 0.97 0.00 -1.18 0.00 -0.99 -0.22 119.26 120.00 3d5d h ALA 59 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3d5d h ALA 59 Cb 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3d5d h ALA 59 CO 0.00 0.09 -1.63 -1.91 0.00 0.00 0.00 179.25 175.80 3d5d n GLU 60 N -3.14 0.49 0.07 0.00 2.13 -0.91 -2.76 120.64 116.53 3d5d n GLU 60 Ca 0.02 -0.12 -0.07 0.00 0.66 0.00 0.00 57.16 57.66 3d5d n GLU 60 Cb 0.47 -1.55 -0.07 0.00 0.27 0.00 0.00 31.44 30.56 3d5d n GLU 60 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3d5d h ARG 61 N 0.00 0.02 0.00 5.31 3.08 -1.34 -2.28 114.38 119.18 3d5d h ARG 61 Ca 0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3d5d h ARG 61 Cb 0.88 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 3d5d h ARG 61 CO 0.00 0.95 -0.57 -0.22 -1.07 0.00 0.00 179.97 179.06 3d5d h LYS 62 N 0.01 0.00 0.00 0.04 3.64 -1.18 -2.90 116.57 116.18 3d5d h LYS 62 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3d5d h LYS 62 Cb 1.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 3d5d h LYS 62 CO 0.13 0.11 0.00 0.00 -2.27 0.00 0.00 179.45 177.41 3d5d h ALA 63 N 1.86 1.00 0.07 5.00 0.00 -1.46 -2.90 119.26 122.83 3d5d h ALA 63 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 3d5d h ALA 63 Cb 1.12 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3d5d h ALA 63 CO 0.01 0.00 -1.75 1.49 0.00 0.00 0.00 179.25 179.01 3d5d h GLU 64 N 0.00 0.15 0.00 0.00 4.57 -1.44 -3.23 114.58 114.63 3d5d h GLU 64 Ca 0.00 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3d5d h GLU 64 Cb 0.95 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 3d5d h GLU 64 CO 0.00 0.89 0.00 0.00 -1.18 0.00 0.00 179.01 178.72 3d5d n ALA 65 N -2.72 2.26 0.10 2.92 0.00 -1.10 -1.89 120.51 120.08 3d5d n ALA 65 Ca -0.21 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.19 3d5d n ALA 65 Cb 1.05 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 19.19 3d5d n ALA 65 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3d5d h GLU 66 N 0.00 0.00 0.16 0.00 4.57 -1.52 -2.85 114.58 114.94 3d5d h GLU 66 Ca 0.00 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.87 3d5d h GLU 66 Cb 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.60 3d5d h GLU 66 CO 0.00 0.10 -1.49 0.00 -1.18 0.00 0.00 179.01 176.44 3d5d h ARG 67 N 0.00 0.33 0.00 1.92 -0.00 -1.51 -3.14 114.38 111.98 3d5d h ARG 67 Ca -0.05 -0.56 -0.01 0.00 -0.50 0.00 0.00 59.98 58.87 3d5d h ARG 67 Cb 1.18 0.21 -0.00 0.00 0.00 0.00 0.00 29.97 31.36 3d5d h ARG 67 CO 0.02 1.23 -0.04 -0.07 0.00 0.00 0.00 179.97 181.11 3d5d h LEU 68 N 0.09 0.00 -0.51 3.04 3.38 -1.67 -2.89 115.31 116.75 3d5d h LEU 68 Ca -0.24 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.57 3d5d h LEU 68 Cb 2.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.79 3d5d h LEU 68 CO 0.19 0.04 -0.59 0.50 0.09 0.00 0.00 178.44 178.68 3d5d h LYS 69 N 0.00 0.50 0.07 1.13 1.63 -1.55 -1.49 116.57 116.86 3d5d h LYS 69 Ca -0.00 -0.33 -0.24 0.00 -0.85 0.00 0.00 60.65 59.22 3d5d h LYS 69 Cb 0.79 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.45 3d5d h LYS 69 CO 0.00 0.94 -1.11 0.93 -3.45 0.00 0.00 179.45 176.77 3d5d h GLU 70 N 0.38 0.16 0.01 1.90 4.39 -1.48 -3.30 114.58 116.64 3d5d h GLU 70 Ca -0.00 -0.26 -0.38 0.00 0.34 0.00 0.00 59.36 59.06 3d5d h GLU 70 Cb 1.13 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.81 3d5d h GLU 70 CO 0.11 1.11 -2.39 1.51 -1.16 0.00 0.00 179.01 178.19 3d5d n ILE 71 N -3.48 1.48 1.14 3.13 3.06 -1.11 -3.98 119.36 119.60 3d5d n ILE 71 Ca -0.05 -0.69 0.12 0.00 -2.50 0.00 0.00 62.75 59.64 3d5d n ILE 71 Cb 0.97 -1.09 0.62 0.00 0.54 0.00 0.00 39.64 40.68 3d5d n ILE 71 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3d5d n LEU 72 N -3.09 0.00 -0.08 9.51 7.99 -0.56 -3.23 117.00 127.54 3d5d n LEU 72 Ca -0.39 0.33 -0.11 0.00 -0.01 0.00 0.00 56.01 55.82 3d5d n LEU 72 Cb 1.06 -0.33 -0.15 0.00 -0.11 0.00 0.00 43.42 43.89 3d5d n LEU 72 CO 0.34 -0.05 -1.04 1.21 -1.51 0.00 0.00 177.39 176.34 3d5d n GLU 73 N -1.33 0.68 -1.29 3.23 4.07 -1.24 -4.36 120.64 120.39 3d5d n GLU 73 Ca 0.11 0.08 -0.26 0.00 -0.06 0.00 0.00 57.16 57.03 3d5d n GLU 73 Cb 0.22 -1.58 0.13 0.00 -0.06 0.00 0.00 31.44 30.14 3d5d n GLU 73 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3d5d n ASN 74 N -2.90 5.37 -3.73 4.31 3.02 -1.20 -4.93 115.26 115.21 3d5d n ASN 74 Ca -0.31 -3.73 -0.12 0.00 -0.03 0.00 0.00 54.58 50.39 3d5d n ASN 74 Cb 1.11 -0.83 -0.11 0.00 -0.61 0.00 0.00 39.78 39.35 3d5d n ASN 74 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3d5d s LEU 75 N -3.55 0.38 0.04 3.41 2.96 -1.23 -5.03 118.68 115.66 3d5d s LEU 75 Ca 0.58 0.77 -0.08 0.00 -0.22 0.00 0.00 54.13 55.18 3d5d s LEU 75 Cb 0.48 1.25 -0.05 0.00 0.50 0.00 0.00 46.19 48.36 3d5d s LEU 75 CO 0.04 -0.15 0.33 0.42 -1.32 0.00 0.00 176.35 175.67 3d5d s THR 76 N 0.63 5.20 -0.58 3.68 -4.23 -1.26 -4.21 115.64 114.87 3d5d s THR 76 Ca -0.04 0.32 -0.11 0.00 -1.18 0.00 0.00 61.69 60.69 3d5d s THR 76 Cb -0.05 -3.61 0.15 0.00 1.34 0.00 0.00 72.50 70.33 3d5d s THR 76 CO -0.04 0.33 0.47 -0.22 -0.54 0.00 0.00 174.62 174.63 3d5d s LEU 77 N -1.82 5.95 -0.21 4.79 0.20 -0.96 -5.01 118.68 121.62 3d5d s LEU 77 Ca 0.30 -2.17 -0.27 0.00 0.69 0.00 0.00 54.13 52.68 3d5d s LEU 77 Cb -0.14 -2.07 0.00 0.00 -0.43 0.00 0.00 46.19 43.55 3d5d s LEU 77 CO 0.17 -0.66 0.95 0.42 -0.29 0.00 0.00 176.35 176.94 3d5d s THR 78 N 0.98 4.76 -0.34 3.68 -4.23 -1.26 -0.34 115.64 118.88 3d5d s THR 78 Ca 0.09 1.85 -0.04 0.00 -1.18 0.00 0.00 61.69 62.41 3d5d s THR 78 Cb -0.23 -4.23 0.06 0.00 1.34 0.00 0.00 72.50 69.44 3d5d s THR 78 CO -0.02 -0.10 0.09 -0.63 -0.54 0.00 0.00 174.62 173.42 3d5d s ILE 79 N 2.84 3.35 -1.11 2.99 -1.09 0.45 -4.96 121.20 123.67 3d5d s ILE 79 Ca 0.41 -1.46 -0.22 0.00 -2.23 0.00 0.00 60.65 57.15 3d5d s ILE 79 Cb -0.16 -3.01 -0.02 0.00 -1.58 0.00 0.00 42.46 37.70 3d5d s ILE 79 CO 0.08 -0.28 1.80 -2.84 -1.23 0.00 0.00 174.94 172.48 3d5d s PRO 80 N 1.28 3.06 0.45 2.79 0.02 -1.26 -0.21 135.00 141.12 3d5d s PRO 80 Ca -0.01 -1.13 0.07 0.00 0.02 0.00 0.00 61.00 59.94 3d5d s PRO 80 Cb -0.21 -5.29 -0.02 0.00 0.02 0.00 0.00 34.50 29.01 3d5d s PRO 80 CO -0.00 -3.11 0.26 0.08 -0.33 0.00 0.00 177.00 173.90 3d5d s VAL 81 N 8.11 2.14 0.14 3.83 1.01 -0.80 -4.99 120.40 129.82 3d5d s VAL 81 Ca 0.61 -1.60 0.01 0.00 0.00 0.00 0.00 61.98 61.01 3d5d s VAL 81 Cb -0.01 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 3d5d s VAL 81 CO 0.04 0.00 0.28 -0.60 0.00 0.00 0.00 175.10 174.83 3d5d s ARG 82 N -4.04 3.45 -0.06 2.72 3.52 -1.26 -4.76 118.95 118.52 3d5d s ARG 82 Ca 0.38 -0.52 -0.26 0.00 -0.13 0.00 0.00 55.73 55.20 3d5d s ARG 82 Cb 0.01 -2.96 0.06 0.00 -1.56 0.00 0.00 34.95 30.50 3d5d s ARG 82 CO 0.22 0.52 0.59 0.00 -0.81 0.00 0.00 175.30 175.82 3d5d s ALA 83 N -1.71 -1.53 0.00 6.12 0.00 -1.26 0.21 121.76 123.59 3d5d s ALA 83 Ca 0.35 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.46 3d5d s ALA 83 Cb -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3d5d s ALA 83 CO 0.28 -0.34 0.10 0.41 0.00 0.00 0.00 175.76 176.22 3d5d n GLY 84 N 1.19 -0.37 0.00 0.00 0.00 -1.05 -4.85 105.19 100.12 3d5d n GLY 84 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3d5d n GLY 84 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3d5d n GLU 85 N -0.21 1.18 0.02 1.61 -0.58 -1.26 -4.99 120.64 116.40 3d5d n GLU 85 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3d5d n GLU 85 Cb 0.00 -0.73 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 3d5d n GLU 85 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3d5d n THR 86 N -1.46 0.09 -3.28 2.62 -1.04 -1.26 -5.02 114.28 104.94 3d5d n THR 86 Ca 0.00 0.03 -0.28 0.00 -2.04 0.00 0.00 64.05 61.76 3d5d n THR 86 Cb 0.23 -0.92 -0.03 0.00 -1.82 0.00 0.00 70.33 67.79 3d5d n THR 86 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3d5d s LYS 87 N -2.00 3.60 0.39 -2.82 1.02 -1.26 -0.47 119.74 118.20 3d5d s LYS 87 Ca 0.00 -0.03 -0.23 0.00 0.02 0.00 0.00 55.97 55.74 3d5d s LYS 87 Cb 0.00 -2.62 -0.11 0.00 -0.52 0.00 0.00 37.83 34.58 3d5d s LYS 87 CO 0.00 0.16 0.95 0.42 -0.92 0.00 0.00 175.35 175.96 3d5d s ILE 88 N -2.18 4.31 0.00 2.17 -1.09 -1.16 -2.51 121.20 120.73 3d5d s ILE 88 Ca 0.44 1.59 0.00 0.00 -2.23 0.00 0.00 60.65 60.45 3d5d s ILE 88 Cb -0.10 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 37.04 3d5d s ILE 88 CO 0.32 -0.16 0.00 -1.22 -1.23 0.00 0.00 174.94 172.65 3d5d n TYR 89 N -0.24 0.00 0.00 3.97 4.02 0.13 -4.72 117.16 120.32 3d5d n TYR 89 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 3d5d n TYR 89 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 3d5d n TYR 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3d5d n GLY 90 N -0.00 -0.92 0.00 2.72 0.00 -1.26 -5.04 105.19 100.69 3d5d n GLY 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3d5d n GLY 90 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3d5d n SER 91 N 0.00 0.00 -4.55 1.61 2.88 -1.26 -5.07 113.62 107.22 3d5d n SER 91 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 3d5d n SER 91 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 3d5d n SER 91 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3d5d s VAL 92 N 0.00 5.03 0.00 2.46 0.11 -0.97 -4.97 120.40 122.06 3d5d s VAL 92 Ca 0.00 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 3d5d s VAL 92 Cb 0.00 -3.38 0.00 0.00 -1.53 0.00 0.00 36.38 31.47 3d5d s VAL 92 CO 0.00 0.28 0.00 0.35 -3.33 0.00 0.00 175.10 172.40 3d5d n THR 93 N 4.96 0.00 0.75 5.04 -2.24 -1.26 -1.12 114.28 120.40 3d5d n THR 93 Ca -0.15 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.77 3d5d n THR 93 Cb 0.52 -0.29 0.45 0.00 -2.10 0.00 0.00 70.33 68.91 3d5d n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d5d n ALA 94 N -3.00 2.38 -0.06 6.98 0.00 -1.26 -3.74 120.51 121.81 3d5d n ALA 94 Ca 0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 53.44 53.21 3d5d n ALA 94 Cb 0.00 -1.44 -0.13 0.00 0.00 0.00 0.00 19.45 17.88 3d5d n ALA 94 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3d5d h LYS 95 N 0.00 0.04 0.00 0.00 1.57 -1.94 -2.77 116.57 113.47 3d5d h LYS 95 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3d5d h LYS 95 Cb 0.66 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3d5d h LYS 95 CO 0.00 1.04 0.04 -0.25 -0.57 0.00 0.00 179.45 179.71 3d5d n ASP 96 N -4.52 0.10 -0.07 0.86 8.00 -1.25 -0.52 116.55 119.15 3d5d n ASP 96 Ca -0.13 0.51 -0.06 0.00 0.71 0.00 0.00 54.79 55.82 3d5d n ASP 96 Cb 0.55 -0.52 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 3d5d n ASP 96 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3d5d n ILE 97 N -1.61 1.34 0.25 0.53 2.08 -1.23 -3.38 119.36 117.34 3d5d n ILE 97 Ca -0.00 0.20 0.15 0.00 0.56 0.00 0.00 62.75 63.66 3d5d n ILE 97 Cb 0.05 -2.30 0.74 0.00 -0.75 0.00 0.00 39.64 37.38 3d5d n ILE 97 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3d5d h ALA 98 N -1.08 1.00 0.00 -1.39 0.00 -1.29 -0.58 119.26 115.92 3d5d h ALA 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3d5d h ALA 98 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3d5d h ALA 98 CO 0.00 0.00 -0.09 1.49 0.00 0.00 0.00 179.25 180.65 3d5d h GLU 99 N 0.00 0.00 0.00 0.00 4.81 -1.00 -2.96 114.58 115.43 3d5d h GLU 99 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3d5d h GLU 99 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3d5d h GLU 99 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 3d5d n ALA 100 N -2.83 1.57 0.07 2.92 0.00 -1.15 -1.91 120.51 119.18 3d5d n ALA 100 Ca -0.01 -0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.21 3d5d n ALA 100 Cb 0.04 -1.24 -0.15 0.00 0.00 0.00 0.00 19.45 18.11 3d5d n ALA 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3d5d h LEU 101 N 0.00 0.54 -0.77 0.00 5.85 -1.23 -1.62 115.31 118.07 3d5d h LEU 101 Ca 0.00 -0.77 0.00 0.00 0.84 0.00 0.00 57.88 57.95 3d5d h LEU 101 Cb 0.24 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3d5d h LEU 101 CO 0.00 1.65 0.00 -1.28 -0.34 0.00 0.00 178.44 178.47 3d5d h SER 102 N 0.09 0.00 0.00 1.25 0.87 -1.22 -3.05 113.55 111.49 3d5d h SER 102 Ca -0.30 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.18 3d5d h SER 102 Cb 2.07 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.02 3d5d h SER 102 CO 0.18 0.00 -0.94 0.54 -0.53 0.00 0.00 176.83 176.08 3d5d n ARG 103 N -2.89 0.50 0.17 2.24 1.74 -0.80 -2.30 116.66 115.32 3d5d n ARG 103 Ca 0.02 0.44 0.19 0.00 -0.77 0.00 0.00 57.85 57.73 3d5d n ARG 103 Cb 0.37 -1.63 0.77 0.00 -1.02 0.00 0.00 32.46 30.96 3d5d n ARG 103 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3d5d h GLN 104 N -1.00 0.00 0.00 5.56 4.20 -1.43 -3.37 115.11 119.08 3d5d h GLN 104 Ca -0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3d5d h GLN 104 Cb 0.86 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.64 3d5d h GLN 104 CO -0.08 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.80 3d5d n HIS 105 N -3.49 -2.28 0.00 2.96 8.25 -1.21 -5.07 115.22 114.39 3d5d n HIS 105 Ca 0.04 0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 3d5d n HIS 105 Cb 0.53 0.52 0.00 0.00 1.12 0.00 0.00 29.99 32.16 3d5d n HIS 105 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d5d n GLY 106 N 1.77 -0.46 3.71 -1.41 0.00 -0.97 -5.02 105.19 102.81 3d5d n GLY 106 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3d5d n GLY 106 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3d5d s ILE 107 N -0.47 3.55 -0.52 -0.61 1.10 -1.21 -4.85 121.20 118.19 3d5d s ILE 107 Ca 0.00 1.09 -0.18 0.00 -0.51 0.00 0.00 60.65 61.05 3d5d s ILE 107 Cb 0.00 -3.70 0.07 0.00 0.15 0.00 0.00 42.46 38.98 3d5d s ILE 107 CO 0.00 0.07 0.60 -0.89 -2.11 0.00 0.00 174.94 172.61 3d5d s THR 108 N 1.29 4.93 0.06 4.00 2.01 -1.26 -3.36 115.64 123.31 3d5d s THR 108 Ca 0.63 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.96 3d5d s THR 108 Cb -0.34 -4.31 -0.03 0.00 0.01 0.00 0.00 72.50 67.83 3d5d s THR 108 CO 0.29 -0.83 -0.09 0.27 -0.69 0.00 0.00 174.62 173.58 3d5d s ILE 109 N 2.47 0.68 -0.17 1.82 -0.00 -1.26 -5.13 121.20 119.60 3d5d s ILE 109 Ca 0.12 -1.32 -0.10 0.00 -0.00 0.00 0.00 60.65 59.36 3d5d s ILE 109 Cb -0.21 -0.93 -0.05 0.00 -0.00 0.00 0.00 42.46 41.27 3d5d s ILE 109 CO 0.10 -0.47 0.15 -1.81 -0.00 0.00 0.00 174.94 172.91 3d5d s ASP 110 N -1.95 6.29 0.00 4.36 1.01 -1.26 -4.81 116.67 120.31 3d5d s ASP 110 Ca -0.04 0.34 0.06 0.00 0.71 0.00 0.00 52.55 53.62 3d5d s ASP 110 Cb -0.07 -2.10 0.31 0.00 1.01 0.00 0.00 42.92 42.08 3d5d s ASP 110 CO -0.00 0.24 1.08 -0.81 0.21 0.00 0.00 175.17 175.88 3d5d n PRO 111 N 3.06 0.07 -0.08 8.23 -0.04 -1.26 -2.32 135.00 142.67 3d5d n PRO 111 Ca -0.17 0.26 -0.15 0.00 -0.04 0.00 0.00 63.50 63.40 3d5d n PRO 111 Cb 0.53 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.38 3d5d n PRO 111 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3d5d h LYS 112 N 0.00 0.00 0.00 0.54 1.79 -1.93 -3.35 116.57 113.62 3d5d h LYS 112 Ca 0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 3d5d h LYS 112 Cb 0.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 3d5d h LYS 112 CO 0.00 0.88 -0.27 0.00 -1.08 0.00 0.00 179.45 178.98 3d5d h ARG 113 N -1.00 0.00 -6.19 3.15 2.47 -1.77 -3.43 114.38 107.61 3d5d h ARG 113 Ca -0.09 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.06 3d5d h ARG 113 Cb 0.98 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.29 3d5d h ARG 113 CO -0.05 0.27 1.31 -1.17 0.56 0.00 0.00 179.97 180.88 3d5d s LEU 114 N -7.94 3.72 -1.13 3.04 0.20 -1.03 -1.94 118.68 113.61 3d5d s LEU 114 Ca -0.03 1.79 -0.23 0.00 0.69 0.00 0.00 54.13 56.35 3d5d s LEU 114 Cb 0.14 -3.52 -0.10 0.00 -0.43 0.00 0.00 46.19 42.28 3d5d s LEU 114 CO 0.68 -1.58 1.96 0.00 -0.29 0.00 0.00 176.35 177.12 3d5d s ALA 115 N 6.58 1.63 -0.28 5.97 0.00 0.21 -4.81 121.76 131.06 3d5d s ALA 115 Ca 0.86 -1.98 -0.18 0.00 0.00 0.00 0.00 51.96 50.67 3d5d s ALA 115 Cb -0.30 -4.66 0.09 0.00 0.00 0.00 0.00 23.12 18.25 3d5d s ALA 115 CO 0.34 -5.37 0.77 -1.17 0.00 0.00 0.00 175.76 170.33 3d5d s LEU 116 N 11.60 -0.81 -0.08 0.00 2.96 -1.26 -4.29 118.68 126.79 3d5d s LEU 116 Ca 0.70 1.34 0.09 0.00 -0.22 0.00 0.00 54.13 56.04 3d5d s LEU 116 Cb -0.02 2.24 -0.13 0.00 0.50 0.00 0.00 46.19 48.78 3d5d s LEU 116 CO 0.12 -0.21 0.07 -1.84 -1.32 0.00 0.00 176.35 173.17 3d5d n GLU 117 N 3.89 1.99 -2.33 1.98 0.28 -1.26 -4.88 120.64 120.31 3d5d n GLU 117 Ca -0.19 -0.02 -0.43 0.00 -0.16 0.00 0.00 57.16 56.37 3d5d n GLU 117 Cb 0.58 -1.25 -0.02 0.00 1.43 0.00 0.00 31.44 32.17 3d5d n GLU 117 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 3d5d s LYS 118 N -2.33 4.24 -0.94 3.44 2.20 -1.26 -4.94 119.74 120.14 3d5d s LYS 118 Ca -0.05 1.79 -0.24 0.00 -0.36 0.00 0.00 55.97 57.11 3d5d s LYS 118 Cb 0.04 -3.76 -0.02 0.00 -1.51 0.00 0.00 37.83 32.58 3d5d s LYS 118 CO 0.41 -0.69 1.80 -2.14 -0.36 0.00 0.00 175.35 174.37 3d5d s PRO 119 N 3.33 2.87 -0.46 4.03 0.02 -1.26 -4.91 135.00 138.62 3d5d s PRO 119 Ca 0.59 -0.55 -0.43 0.00 0.02 0.00 0.00 61.00 60.63 3d5d s PRO 119 Cb -0.25 -5.15 -0.18 0.00 0.02 0.00 0.00 34.50 28.93 3d5d s PRO 119 CO 0.19 -3.03 1.99 -0.89 -0.33 0.00 0.00 177.00 174.93 3d5d n ILE 120 N 7.58 0.05 -2.20 2.83 5.41 -0.28 -4.76 119.36 128.00 3d5d n ILE 120 Ca 0.38 -0.04 -0.15 0.00 1.00 0.00 0.00 62.75 63.95 3d5d n ILE 120 Cb 0.48 -0.71 0.04 0.00 -0.71 0.00 0.00 39.64 38.74 3d5d n ILE 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3d5d n LYS 121 N 6.60 2.86 -3.97 0.38 4.81 -1.26 -2.30 118.16 125.28 3d5d n LYS 121 Ca 0.45 -3.86 -0.09 0.00 -0.87 0.00 0.00 58.31 53.94 3d5d n LYS 121 Cb 0.01 -1.98 -0.10 0.00 0.02 0.00 0.00 35.03 32.97 3d5d n LYS 121 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3d5d s GLU 122 N -3.50 0.43 0.26 1.64 2.12 -1.26 -3.01 118.70 115.38 3d5d s GLU 122 Ca 0.43 -0.70 -0.08 0.00 0.36 0.00 0.00 54.97 54.98 3d5d s GLU 122 Cb 0.38 0.16 -0.06 0.00 0.26 0.00 0.00 34.13 34.87 3d5d s GLU 122 CO 0.00 -0.09 0.55 -1.17 -0.54 0.00 0.00 175.26 174.02 3d5d s LEU 123 N -1.81 4.11 0.00 2.70 0.20 0.38 -4.67 118.68 119.60 3d5d s LEU 123 Ca -0.10 0.83 0.00 0.00 0.69 0.00 0.00 54.13 55.55 3d5d s LEU 123 Cb -0.05 -3.62 0.00 0.00 -0.43 0.00 0.00 46.19 42.09 3d5d s LEU 123 CO -0.03 -0.13 0.00 0.61 -0.29 0.00 0.00 176.35 176.51 3d5d n GLY 124 N -0.50 0.54 3.55 7.98 0.00 -0.15 -4.95 105.19 111.66 3d5d n GLY 124 Ca -0.00 -2.16 -0.31 0.00 0.00 0.00 0.00 46.02 43.54 3d5d n GLY 124 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3d5d s GLU 125 N -0.78 2.33 0.32 1.61 1.03 -1.26 -1.23 118.70 120.71 3d5d s GLU 125 Ca 0.00 -0.86 0.05 0.00 0.03 0.00 0.00 54.97 54.19 3d5d s GLU 125 Cb 0.00 -2.37 -0.03 0.00 -0.80 0.00 0.00 34.13 30.93 3d5d s GLU 125 CO 0.00 0.57 0.21 0.71 -1.33 0.00 0.00 175.26 175.41 3d5d s TYR 126 N -1.02 1.64 -0.44 4.83 1.51 -1.25 -4.96 117.35 117.66 3d5d s TYR 126 Ca 0.17 -1.51 0.04 0.00 -1.01 0.00 0.00 57.07 54.76 3d5d s TYR 126 Cb -0.11 -0.79 0.12 0.00 -0.11 0.00 0.00 41.96 41.07 3d5d s TYR 126 CO 0.08 -0.68 0.17 0.08 -1.11 0.00 0.00 175.55 174.09 3d5d s VAL 127 N -3.56 2.49 0.23 0.71 1.01 -1.26 0.06 120.40 120.08 3d5d s VAL 127 Ca 0.37 -2.88 -0.04 0.00 0.00 0.00 0.00 61.98 59.43 3d5d s VAL 127 Cb 0.04 -2.77 0.06 0.00 0.00 0.00 0.00 36.38 33.70 3d5d s VAL 127 CO 0.21 -0.71 0.20 0.18 0.00 0.00 0.00 175.10 174.98 3d5d n LEU 128 N 3.63 0.00 -3.68 3.92 4.77 -0.55 -4.87 117.00 120.22 3d5d n LEU 128 Ca 0.05 -0.22 -0.10 0.00 -0.03 0.00 0.00 56.01 55.71 3d5d n LEU 128 Cb 0.37 -0.19 -0.11 0.00 -2.33 0.00 0.00 43.42 41.16 3d5d n LEU 128 CO 0.29 -1.21 0.04 -0.89 -1.33 0.00 0.00 177.39 174.29 3d5d s THR 129 N -1.37 -0.22 0.05 -5.08 2.01 -1.26 -2.81 115.64 106.95 3d5d s THR 129 Ca 0.13 0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.30 3d5d s THR 129 Cb -0.01 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 3d5d s THR 129 CO 0.10 0.05 -0.08 -0.47 -0.69 0.00 0.00 174.62 173.54 3d5d s TYR 130 N 1.78 2.84 -0.65 4.92 5.04 0.11 0.67 117.35 132.06 3d5d s TYR 130 Ca -0.07 -0.09 0.05 0.00 -2.44 0.00 0.00 57.07 54.52 3d5d s TYR 130 Cb -0.10 -1.54 0.16 0.00 0.35 0.00 0.00 41.96 40.84 3d5d s TYR 130 CO -0.13 0.39 0.44 0.15 -1.34 0.00 0.00 175.55 175.07 3d5d s LYS 131 N -1.75 2.27 -0.00 4.97 1.02 -0.82 -1.37 119.74 124.05 3d5d s LYS 131 Ca 0.19 -3.13 -0.20 0.00 0.02 0.00 0.00 55.97 52.85 3d5d s LYS 131 Cb -0.11 -3.26 -0.25 0.00 -0.52 0.00 0.00 37.83 33.69 3d5d s LYS 131 CO 0.10 -1.26 1.07 -1.35 -0.92 0.00 0.00 175.35 172.99 3d5d h PRO 132 N 5.61 0.40 -6.53 -1.68 0.11 -1.85 -3.45 132.00 124.61 3d5d h PRO 132 Ca 0.11 -0.46 -0.69 0.00 0.11 0.00 0.00 66.00 65.07 3d5d h PRO 132 Cb 0.79 0.14 -0.30 0.00 0.11 0.00 0.00 31.00 31.74 3d5d h PRO 132 CO 0.69 1.14 -0.88 -1.58 -0.21 0.00 0.00 178.00 177.15 3d5d s HIS 133 N -3.07 2.26 0.46 0.65 5.65 -1.26 -5.04 115.29 114.94 3d5d s HIS 133 Ca -0.13 -0.43 0.17 0.00 0.25 0.00 0.00 55.06 54.93 3d5d s HIS 133 Cb 0.03 -1.45 1.14 0.00 -1.18 0.00 0.00 32.58 31.12 3d5d s HIS 133 CO 0.83 -0.03 1.97 -1.35 -0.65 0.00 0.00 174.74 175.51 3d5d h PRO 134 N 5.46 0.28 -0.14 2.88 0.11 -2.00 -2.79 132.00 135.81 3d5d h PRO 134 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3d5d h PRO 134 Cb 1.12 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3d5d h PRO 134 CO 0.47 0.19 0.00 -0.85 -0.21 0.00 0.00 178.00 177.60 3d5d n GLU 135 N -4.45 1.63 -3.39 1.05 0.28 -1.26 -4.78 120.64 109.72 3d5d n GLU 135 Ca 0.10 -1.47 -0.26 0.00 -0.16 0.00 0.00 57.16 55.37 3d5d n GLU 135 Cb 0.46 -1.17 -0.09 0.00 1.43 0.00 0.00 31.44 32.07 3d5d n GLU 135 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3d5d n VAL 136 N 0.31 -0.67 -1.34 3.84 0.31 -1.05 -5.13 118.33 114.60 3d5d n VAL 136 Ca 0.06 -3.79 -0.29 0.00 -0.01 0.00 0.00 64.34 60.31 3d5d n VAL 136 Cb 0.29 -1.80 0.14 0.00 -0.91 0.00 0.00 33.84 31.56 3d5d n VAL 136 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3d5d s PRO 137 N -0.52 1.14 -0.07 5.55 0.02 -1.26 -3.98 135.00 135.88 3d5d s PRO 137 Ca 0.33 0.56 -0.03 0.00 0.02 0.00 0.00 61.00 61.88 3d5d s PRO 137 Cb 0.07 -1.82 0.04 0.00 0.02 0.00 0.00 34.50 32.81 3d5d s PRO 137 CO -0.17 -2.26 0.09 0.42 -0.33 0.00 0.00 177.00 174.76 3d5d s ILE 138 N -3.07 -0.14 -0.58 2.83 1.01 -0.47 -4.98 121.20 115.79 3d5d s ILE 138 Ca 0.64 0.31 -0.28 0.00 0.00 0.00 0.00 60.65 61.32 3d5d s ILE 138 Cb -0.17 -0.26 0.01 0.00 0.01 0.00 0.00 42.46 42.06 3d5d s ILE 138 CO 0.56 0.09 1.43 -1.10 0.00 0.00 0.00 174.94 175.92 3d5d s GLN 139 N 2.19 3.24 -0.50 2.79 1.11 -1.26 0.04 119.66 127.27 3d5d s GLN 139 Ca 0.04 0.39 -0.24 0.00 0.01 0.00 0.00 55.36 55.57 3d5d s GLN 139 Cb -0.13 -4.15 0.04 0.00 -1.01 0.00 0.00 33.01 27.76 3d5d s GLN 139 CO -0.05 -2.02 0.87 -1.17 0.01 0.00 0.00 175.29 172.93 3d5d s LEU 140 N 6.24 4.21 0.33 2.90 2.96 -1.12 -4.54 118.68 129.65 3d5d s LEU 140 Ca 0.52 -0.26 -0.29 0.00 -0.22 0.00 0.00 54.13 53.88 3d5d s LEU 140 Cb -0.11 -2.89 -0.12 0.00 0.50 0.00 0.00 46.19 43.57 3d5d s LEU 140 CO 0.24 -1.08 1.38 0.29 -1.32 0.00 0.00 176.35 175.86 3d5d n LYS 141 N 7.09 2.29 -3.82 1.98 5.02 -1.26 -1.48 118.16 127.97 3d5d n LYS 141 Ca 0.02 0.81 -0.22 0.00 -2.02 0.00 0.00 58.31 56.89 3d5d n LYS 141 Cb 0.48 -2.45 -0.05 0.00 -0.02 0.00 0.00 35.03 32.99 3d5d n LYS 141 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3d5d s VAL 142 N -0.79 2.78 -0.41 -0.18 1.01 0.11 -2.26 120.40 120.66 3d5d s VAL 142 Ca 0.58 -1.49 0.05 0.00 0.00 0.00 0.00 61.98 61.12 3d5d s VAL 142 Cb -0.56 -3.02 0.31 0.00 0.00 0.00 0.00 36.38 33.11 3d5d s VAL 142 CO 0.59 -0.06 1.20 -0.24 0.00 0.00 0.00 175.10 176.59 3d5d n SER 143 N -1.38 -1.97 -4.56 3.32 2.88 0.54 -3.81 113.62 108.64 3d5d n SER 143 Ca 0.01 -2.96 -0.39 0.00 -1.33 0.00 0.00 58.87 54.20 3d5d n SER 143 Cb 0.62 1.60 -0.03 0.00 -0.75 0.00 0.00 64.21 65.65 3d5d n SER 143 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3d5d s VAL 144 N 0.22 3.33 -2.75 2.46 1.01 -0.37 -0.41 120.40 123.90 3d5d s VAL 144 Ca 0.23 0.21 0.26 0.00 0.00 0.00 0.00 61.98 62.68 3d5d s VAL 144 Cb 0.28 -3.81 0.37 0.00 0.00 0.00 0.00 36.38 33.22 3d5d s VAL 144 CO -0.12 -0.76 1.50 0.52 0.00 0.00 0.00 175.10 176.24