#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f8y n GLY 2 N 0.00 1.36 3.81 2.92 0.00 0.15 -5.03 105.19 108.40 3f8y n GLY 2 Ca 0.00 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 3f8y n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3f8y s SER 3 N -1.00 5.35 -0.16 1.61 0.01 -1.26 -4.68 113.70 113.57 3f8y s SER 3 Ca 0.00 1.68 -0.06 0.00 1.31 0.00 0.00 55.95 58.88 3f8y s SER 3 Cb 0.00 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 3f8y s SER 3 CO 0.00 -1.46 0.03 -0.22 0.41 0.00 0.00 173.24 171.99 3f8y s LEU 4 N -5.41 3.65 -0.01 2.44 2.96 -1.26 -0.62 118.68 120.43 3f8y s LEU 4 Ca 0.59 0.05 -0.05 0.00 -0.22 0.00 0.00 54.13 54.50 3f8y s LEU 4 Cb -0.15 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.65 3f8y s LEU 4 CO 0.52 0.21 0.11 0.20 -1.32 0.00 0.00 176.35 176.08 3f8y s ASN 5 N 0.13 0.01 0.05 3.68 0.01 -0.14 -2.60 114.94 116.07 3f8y s ASN 5 Ca 0.03 -0.10 0.04 0.00 -0.71 0.00 0.00 52.86 52.12 3f8y s ASN 5 Cb -0.13 0.21 -0.04 0.00 0.41 0.00 0.00 41.25 41.71 3f8y s ASN 5 CO 0.01 -0.26 -0.03 0.00 -1.51 0.00 0.00 177.10 175.31 3f8y s ILE 7 N -1.16 0.55 0.02 0.00 2.07 -0.67 -0.30 121.20 121.72 3f8y s ILE 7 Ca 0.21 -0.19 -0.19 0.00 -1.41 0.00 0.00 60.65 59.07 3f8y s ILE 7 Cb -0.11 -0.53 0.04 0.00 0.13 0.00 0.00 42.46 41.98 3f8y s ILE 7 CO 0.13 0.20 0.43 0.54 -1.91 0.00 0.00 174.94 174.33 3f8y s VAL 8 N 0.52 0.05 -0.08 4.00 0.11 -0.52 -4.57 120.40 119.90 3f8y s VAL 8 Ca -0.07 -0.39 0.03 0.00 -2.93 0.00 0.00 61.98 58.62 3f8y s VAL 8 Cb -0.11 -0.90 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 3f8y s VAL 8 CO 0.00 -0.22 -0.18 0.00 -3.33 0.00 0.00 175.10 171.37 3f8y s ALA 9 N -2.13 2.45 -0.01 1.54 0.00 -1.26 -0.89 121.76 121.46 3f8y s ALA 9 Ca -0.07 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3f8y s ALA 9 Cb -0.02 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.18 3f8y s ALA 9 CO 0.00 0.39 0.01 0.14 0.00 0.00 0.00 175.76 176.30 3f8y s VAL 10 N -0.12 -0.00 0.93 0.00 -7.23 -0.01 -4.62 120.40 109.36 3f8y s VAL 10 Ca -0.03 0.06 -0.14 0.00 -1.81 0.00 0.00 61.98 60.06 3f8y s VAL 10 Cb -0.14 -0.05 0.16 0.00 0.56 0.00 0.00 36.38 36.91 3f8y s VAL 10 CO 0.04 0.04 1.21 -0.94 -0.31 0.00 0.00 175.10 175.13 3f8y s SER 11 N 0.35 3.34 0.39 4.85 1.04 -0.45 -0.49 113.70 122.74 3f8y s SER 11 Ca -0.03 0.63 0.07 0.00 0.48 0.00 0.00 55.95 57.11 3f8y s SER 11 Cb -0.04 -0.96 0.80 0.00 0.10 0.00 0.00 66.02 65.91 3f8y s SER 11 CO -0.01 -2.62 1.98 -0.61 0.98 0.00 0.00 173.24 172.96 3f8y h GLN 12 N -1.55 0.43 -0.84 4.02 4.15 -0.85 -0.63 115.11 119.84 3f8y h GLN 12 Ca -0.47 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 58.89 3f8y h GLN 12 Cb 1.29 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.90 3f8y h GLN 12 CO 0.52 0.39 0.00 0.27 -1.93 0.00 0.00 178.83 178.08 3f8y n ASN 13 N -4.38 2.84 -0.53 -0.69 6.94 -1.26 -4.89 115.26 113.29 3f8y n ASN 13 Ca 0.01 -2.36 -0.07 0.00 -0.02 0.00 0.00 54.58 52.14 3f8y n ASN 13 Cb 0.16 -0.57 -0.03 0.00 -2.36 0.00 0.00 39.78 36.97 3f8y n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3f8y n MET 14 N 0.24 -0.79 -2.59 -3.83 2.81 -0.24 -4.98 117.12 107.73 3f8y n MET 14 Ca 0.11 0.66 -0.40 0.00 -1.81 0.00 0.00 57.70 56.26 3f8y n MET 14 Cb 0.62 -4.53 -0.05 0.00 -0.71 0.00 0.00 33.22 28.56 3f8y n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3f8y s GLY 15 N -2.61 3.02 0.00 3.03 0.00 -1.26 -0.58 107.32 108.93 3f8y s GLY 15 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.48 3f8y s GLY 15 CO 0.00 1.45 0.00 0.29 0.00 0.00 0.00 173.10 174.84 3f8y n ILE 16 N 1.75 0.00 -3.45 0.90 -5.35 -0.05 -1.35 119.36 111.81 3f8y n ILE 16 Ca -0.00 -0.29 -0.12 0.00 -0.27 0.00 0.00 62.75 62.07 3f8y n ILE 16 Cb 0.46 0.82 -0.03 0.00 -1.74 0.00 0.00 39.64 39.15 3f8y n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3f8y s GLY 17 N -1.14 -0.57 -0.10 3.28 0.00 -1.13 -4.53 107.32 103.13 3f8y s GLY 17 Ca 0.00 0.76 -0.04 0.00 0.00 0.00 0.00 44.72 45.44 3f8y s GLY 17 CO 0.00 0.34 0.16 1.25 0.00 0.00 0.00 173.10 174.85 3f8y s LYS 18 N -3.18 0.05 -1.50 2.90 2.20 0.67 -0.55 119.74 120.34 3f8y s LYS 18 Ca -0.00 0.48 -0.04 0.00 -0.36 0.00 0.00 55.97 56.05 3f8y s LYS 18 Cb -0.01 -0.48 0.03 0.00 -1.51 0.00 0.00 37.83 35.87 3f8y s LYS 18 CO -0.08 -0.37 0.41 0.09 -0.36 0.00 0.00 175.35 175.04 3f8y n ASN 19 N 5.32 -0.65 -0.20 1.43 3.02 -1.26 -1.40 115.26 121.51 3f8y n ASN 19 Ca -0.05 -1.06 -0.03 0.00 -0.03 0.00 0.00 54.58 53.41 3f8y n ASN 19 Cb 0.50 -2.70 -0.01 0.00 -0.61 0.00 0.00 39.78 36.96 3f8y n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f8y n GLY 20 N -1.97 0.59 3.35 7.41 0.00 -1.26 -5.00 105.19 108.30 3f8y n GLY 20 Ca -0.24 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.16 3f8y n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f8y s ASP 21 N -2.51 1.70 0.40 1.61 -1.08 -0.49 -4.66 116.67 111.64 3f8y s ASP 21 Ca 0.00 -1.31 -0.24 0.00 -0.52 0.00 0.00 52.55 50.49 3f8y s ASP 21 Cb 0.00 0.05 -0.09 0.00 -1.46 0.00 0.00 42.92 41.41 3f8y s ASP 21 CO 0.00 -0.61 1.03 -0.76 0.52 0.00 0.00 175.17 175.35 3f8y s LEU 22 N -3.34 4.12 0.57 -1.34 1.43 -1.26 -0.24 118.68 118.62 3f8y s LEU 22 Ca 0.33 1.98 0.35 0.00 -1.03 0.00 0.00 54.13 55.76 3f8y s LEU 22 Cb 0.07 -4.23 1.63 0.00 0.03 0.00 0.00 46.19 43.69 3f8y s LEU 22 CO 0.12 -0.47 2.09 -0.65 0.23 0.00 0.00 176.35 177.67 3f8y h PRO 23 N 2.43 0.00 -6.20 1.29 0.11 -1.85 -3.42 132.00 124.35 3f8y h PRO 23 Ca -0.48 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.08 3f8y h PRO 23 Cb 1.21 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.23 3f8y h PRO 23 CO 0.62 0.03 -0.63 1.67 -0.21 0.00 0.00 178.00 179.49 3f8y s TRP 24 N -3.87 2.76 0.74 0.65 -2.14 -1.26 -4.75 118.94 111.08 3f8y s TRP 24 Ca -0.01 -0.20 -0.15 0.00 2.66 0.00 0.00 56.10 58.39 3f8y s TRP 24 Cb 0.11 -1.23 0.03 0.00 -3.10 0.00 0.00 33.47 29.28 3f8y s TRP 24 CO 0.52 0.61 1.10 -2.30 -2.66 0.00 0.00 176.95 174.21 3f8y n PRO 25 N -0.94 0.48 -1.66 3.25 -0.02 -1.26 -4.89 135.00 129.96 3f8y n PRO 25 Ca -0.07 0.23 -0.46 0.00 -2.02 0.00 0.00 63.50 61.18 3f8y n PRO 25 Cb 0.59 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 3f8y n PRO 25 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3f8y n PRO 26 N -2.36 2.04 -3.79 0.52 -0.02 -1.26 -4.96 135.00 125.17 3f8y n PRO 26 Ca 0.14 0.73 -0.36 0.00 -2.02 0.00 0.00 63.50 61.99 3f8y n PRO 26 Cb 0.50 -2.45 -0.12 0.00 -0.02 0.00 0.00 33.50 31.41 3f8y n PRO 26 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3f8y s LEU 27 N 0.61 5.18 0.21 2.45 1.43 -1.26 -4.93 118.68 122.36 3f8y s LEU 27 Ca 0.76 -2.22 -0.09 0.00 -1.03 0.00 0.00 54.13 51.55 3f8y s LEU 27 Cb -0.69 -1.81 0.27 0.00 0.03 0.00 0.00 46.19 43.99 3f8y s LEU 27 CO 0.42 -0.49 1.79 0.03 0.23 0.00 0.00 176.35 178.34 3f8y h ARG 28 N 7.78 0.60 0.00 1.70 -0.00 -1.98 -1.58 114.38 120.89 3f8y h ARG 28 Ca -0.10 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.98 59.24 3f8y h ARG 28 Cb 1.02 -0.13 -0.01 0.00 0.00 0.00 0.00 29.97 30.84 3f8y h ARG 28 CO 0.69 0.39 -0.47 -0.91 0.00 0.00 0.00 179.97 179.67 3f8y h ASN 29 N 0.61 0.00 -0.33 7.04 2.35 -1.99 -1.54 115.58 121.73 3f8y h ASN 29 Ca 0.31 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.99 3f8y h ASN 29 Cb 0.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 3f8y h ASN 29 CO -0.22 0.47 -0.07 -0.08 -1.65 0.00 0.00 177.43 175.88 3f8y h GLU 30 N 0.00 0.62 -0.96 0.81 4.22 -1.76 -0.99 114.58 116.53 3f8y h GLU 30 Ca -0.00 -0.24 0.01 0.00 0.08 0.00 0.00 59.36 59.21 3f8y h GLU 30 Cb 1.11 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 3f8y h GLU 30 CO 0.06 0.80 0.63 0.74 -2.18 0.00 0.00 179.01 179.06 3f8y h PHE 31 N 0.41 1.20 -0.59 0.92 0.04 -1.13 -1.56 116.94 116.22 3f8y h PHE 31 Ca 0.08 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 3f8y h PHE 31 Cb 0.56 -0.41 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 3f8y h PHE 31 CO 0.05 0.74 0.34 0.00 -0.60 0.00 0.00 178.31 178.84 3f8y h ARG 32 N 1.28 0.81 -0.06 1.51 3.08 -0.99 -0.51 114.38 119.50 3f8y h ARG 32 Ca 0.36 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 3f8y h ARG 32 Cb -0.13 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.75 3f8y h ARG 32 CO -0.08 0.59 0.01 -0.92 -1.07 0.00 0.00 179.97 178.49 3f8y h TYR 33 N 0.82 0.11 -0.49 3.04 5.03 -0.59 -0.53 116.97 124.35 3f8y h TYR 33 Ca 0.21 -0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.60 3f8y h TYR 33 Cb 0.00 -0.03 -0.07 0.00 1.55 0.00 0.00 36.73 38.18 3f8y h TYR 33 CO 0.00 0.33 0.05 0.35 -1.32 0.00 0.00 178.16 177.57 3f8y h PHE 34 N -0.14 0.06 -0.20 -3.82 3.57 -0.95 0.09 116.94 115.55 3f8y h PHE 34 Ca 0.02 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.56 3f8y h PHE 34 Cb 0.28 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3f8y h PHE 34 CO 0.02 -0.06 0.12 -0.22 -2.23 0.00 0.00 178.31 175.94 3f8y h LYS 35 N 0.17 0.24 -0.25 1.11 3.64 -0.93 -1.62 116.57 118.93 3f8y h LYS 35 Ca 0.25 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3f8y h LYS 35 Cb 0.36 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3f8y h LYS 35 CO -0.37 0.16 0.08 -0.09 -2.27 0.00 0.00 179.45 176.97 3f8y h ARG 36 N 0.25 0.38 -0.36 1.90 2.43 -0.72 -1.04 114.38 117.21 3f8y h ARG 36 Ca 0.08 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3f8y h ARG 36 Cb -0.01 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3f8y h ARG 36 CO -0.03 0.45 0.09 0.52 -1.51 0.00 0.00 179.97 179.48 3f8y h MET 37 N 0.24 0.58 0.00 0.20 2.86 -0.88 -1.48 114.93 116.45 3f8y h MET 37 Ca 0.08 -0.14 -0.11 0.00 -2.06 0.00 0.00 59.70 57.47 3f8y h MET 37 Cb 0.22 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3f8y h MET 37 CO -0.00 0.62 -0.54 1.79 1.06 0.00 0.00 176.91 179.83 3f8y h THR 38 N 0.44 1.04 0.16 2.22 1.35 -1.29 -3.32 112.91 113.50 3f8y h THR 38 Ca 0.11 -2.16 -0.33 0.00 -0.55 0.00 0.00 66.41 63.48 3f8y h THR 38 Cb 0.30 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 3f8y h THR 38 CO 0.00 0.53 -1.66 0.74 -0.25 0.00 0.00 175.52 174.89 3f8y h THR 39 N 0.00 1.03 -2.60 6.82 2.02 -1.11 -3.43 112.91 115.65 3f8y h THR 39 Ca -0.01 -2.64 -0.56 0.00 0.77 0.00 0.00 66.41 63.98 3f8y h THR 39 Cb 1.26 2.76 -0.01 0.00 -1.74 0.00 0.00 68.15 70.42 3f8y h THR 39 CO 0.07 0.83 1.18 -0.89 0.37 0.00 0.00 175.52 177.08 3f8y s THR 40 N -2.60 3.51 -0.15 3.16 2.01 -0.57 -4.59 115.64 116.43 3f8y s THR 40 Ca -0.13 0.59 -0.04 0.00 0.31 0.00 0.00 61.69 62.41 3f8y s THR 40 Cb 0.06 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.04 3f8y s THR 40 CO 0.86 -0.19 0.00 -0.55 -0.69 0.00 0.00 174.62 174.05 3f8y s SER 41 N 4.61 5.17 0.52 3.53 0.15 -1.26 -4.95 113.70 121.48 3f8y s SER 41 Ca 0.77 0.00 0.31 0.00 0.70 0.00 0.00 55.95 57.74 3f8y s SER 41 Cb -0.29 -1.77 1.11 0.00 -1.71 0.00 0.00 66.02 63.35 3f8y s SER 41 CO 0.31 0.22 1.89 0.77 1.20 0.00 0.00 173.24 177.63 3f8y h SER 42 N 6.34 0.00 -3.32 5.45 4.64 -1.95 -3.45 113.55 121.27 3f8y h SER 42 Ca -0.37 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.29 3f8y h SER 42 Cb 1.18 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.00 3f8y h SER 42 CO 0.63 0.00 -0.76 -0.69 -0.87 0.00 0.00 176.83 175.15 3f8y s VAL 43 N -3.55 3.08 0.27 0.95 1.01 -1.26 -5.10 120.40 115.80 3f8y s VAL 43 Ca 0.03 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 3f8y s VAL 43 Cb 0.08 -2.31 -0.10 0.00 0.00 0.00 0.00 36.38 34.05 3f8y s VAL 43 CO 0.58 0.52 1.47 -0.70 0.00 0.00 0.00 175.10 176.96 3f8y s GLU 44 N 0.45 4.23 0.00 2.72 2.56 -1.26 -2.88 118.70 124.53 3f8y s GLU 44 Ca -0.09 2.37 0.00 0.00 0.00 0.00 0.00 54.97 57.25 3f8y s GLU 44 Cb -0.16 -3.08 0.00 0.00 2.00 0.00 0.00 34.13 32.89 3f8y s GLU 44 CO 0.05 -0.46 0.00 0.41 -0.56 0.00 0.00 175.26 174.70 3f8y n GLY 45 N 2.06 0.87 3.62 -1.50 0.00 -1.26 -5.03 105.19 103.96 3f8y n GLY 45 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 3f8y n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f8y s LYS 46 N -0.16 2.15 0.22 1.61 1.02 -1.14 -4.90 119.74 118.54 3f8y s LYS 46 Ca 0.00 -1.58 0.10 0.00 0.02 0.00 0.00 55.97 54.51 3f8y s LYS 46 Cb 0.00 -2.03 -0.05 0.00 -0.52 0.00 0.00 37.83 35.23 3f8y s LYS 46 CO 0.00 0.26 -0.19 -0.65 -0.92 0.00 0.00 175.35 173.85 3f8y s GLN 47 N -3.68 1.47 0.53 1.68 -0.21 -0.49 -4.88 119.66 114.08 3f8y s GLN 47 Ca 0.33 -1.60 -0.17 0.00 0.02 0.00 0.00 55.36 53.94 3f8y s GLN 47 Cb -0.04 -1.52 -0.07 0.00 1.00 0.00 0.00 33.01 32.38 3f8y s GLN 47 CO 0.19 0.29 1.00 -0.80 -2.12 0.00 0.00 175.29 173.86 3f8y s ASN 48 N -3.12 6.44 -0.16 5.90 0.01 -1.26 -0.95 114.94 121.80 3f8y s ASN 48 Ca 0.23 1.64 -0.06 0.00 -0.71 0.00 0.00 52.86 53.96 3f8y s ASN 48 Cb -0.05 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 3f8y s ASN 48 CO 0.10 -0.71 0.04 -0.22 -1.51 0.00 0.00 177.10 174.80 3f8y s LEU 49 N -4.12 3.73 -0.16 0.60 2.96 0.10 -1.05 118.68 120.75 3f8y s LEU 49 Ca 0.60 0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 54.56 3f8y s LEU 49 Cb -0.11 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 3f8y s LEU 49 CO 0.31 0.23 -0.02 0.68 -1.32 0.00 0.00 176.35 176.23 3f8y s VAL 50 N 0.05 4.07 -0.14 1.68 -7.23 0.52 -0.41 120.40 118.95 3f8y s VAL 50 Ca 0.04 -0.29 -0.02 0.00 -1.81 0.00 0.00 61.98 59.90 3f8y s VAL 50 Cb -0.12 -2.80 -0.02 0.00 0.56 0.00 0.00 36.38 34.00 3f8y s VAL 50 CO 0.01 0.48 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.57 3f8y s ILE 51 N 0.40 3.43 0.02 -0.62 1.01 -0.02 -0.85 121.20 124.57 3f8y s ILE 51 Ca -0.02 -0.53 -0.13 0.00 0.00 0.00 0.00 60.65 59.97 3f8y s ILE 51 Cb -0.14 -2.47 0.02 0.00 0.01 0.00 0.00 42.46 39.88 3f8y s ILE 51 CO 0.02 0.51 0.27 0.00 0.00 0.00 0.00 174.94 175.75 3f8y s MET 52 N 0.30 0.71 0.95 2.79 0.23 -0.58 -1.38 119.30 122.33 3f8y s MET 52 Ca -0.07 -0.42 -0.12 0.00 -1.03 0.00 0.00 55.69 54.05 3f8y s MET 52 Cb -0.15 0.31 0.16 0.00 -1.53 0.00 0.00 34.83 33.62 3f8y s MET 52 CO 0.04 -0.21 1.09 0.20 -2.03 0.00 0.00 175.02 174.11 3f8y s GLY 53 N -1.78 1.60 0.17 3.16 0.00 0.02 -0.38 107.32 110.10 3f8y s GLY 53 Ca -0.09 -0.12 -0.15 0.00 0.00 0.00 0.00 44.72 44.36 3f8y s GLY 53 CO -0.01 0.42 1.82 1.70 0.00 0.00 0.00 173.10 177.03 3f8y h LYS 54 N -1.77 0.58 -0.40 2.90 3.64 -1.83 -1.69 116.57 118.00 3f8y h LYS 54 Ca -0.52 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 58.72 3f8y h LYS 54 Cb 1.30 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 3f8y h LYS 54 CO 0.54 0.38 -0.17 -0.22 -2.27 0.00 0.00 179.45 177.71 3f8y h LYS 55 N 0.60 0.76 -0.28 1.90 3.64 -1.93 -2.27 116.57 118.98 3f8y h LYS 55 Ca 0.18 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 3f8y h LYS 55 Cb -0.03 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3f8y h LYS 55 CO -0.06 0.88 0.16 1.15 -2.27 0.00 0.00 179.45 179.30 3f8y h THR 56 N 0.67 1.12 -0.37 1.00 2.02 -1.81 -1.31 112.91 114.23 3f8y h THR 56 Ca 0.10 -0.32 0.08 0.00 0.77 0.00 0.00 66.41 67.04 3f8y h THR 56 Cb 0.66 0.82 -0.08 0.00 -1.74 0.00 0.00 68.15 67.81 3f8y h THR 56 CO 0.05 0.12 -0.23 -0.25 0.37 0.00 0.00 175.52 175.58 3f8y h TRP 57 N 0.34 -0.60 0.00 3.16 2.91 -1.04 -1.69 115.95 119.03 3f8y h TRP 57 Ca 0.10 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.17 3f8y h TRP 57 Cb 0.06 0.32 0.00 0.00 -0.51 0.00 0.00 29.16 29.03 3f8y h TRP 57 CO -0.03 -0.31 0.00 1.19 -1.03 0.00 0.00 178.44 178.26 3f8y n PHE 58 N -5.39 0.00 0.52 2.65 3.01 -0.88 -1.95 117.46 115.43 3f8y n PHE 58 Ca 0.01 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.60 3f8y n PHE 58 Cb 0.30 -0.47 0.33 0.00 -0.01 0.00 0.00 39.48 39.64 3f8y n PHE 58 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3f8y h SER 59 N 0.00 0.00 -3.36 4.37 4.64 -0.28 -3.45 113.55 115.48 3f8y h SER 59 Ca 0.00 -0.01 -0.55 0.00 -0.47 0.00 0.00 61.79 60.76 3f8y h SER 59 Cb 0.35 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 3f8y h SER 59 CO 0.00 0.01 0.41 -0.63 -0.87 0.00 0.00 176.83 175.75 3f8y s ILE 60 N -3.13 4.86 0.21 0.95 1.01 -0.82 -4.92 121.20 119.35 3f8y s ILE 60 Ca 0.09 2.01 -0.31 0.00 0.00 0.00 0.00 60.65 62.44 3f8y s ILE 60 Cb 0.11 -4.30 -0.15 0.00 0.01 0.00 0.00 42.46 38.13 3f8y s ILE 60 CO 0.62 0.12 1.22 -2.65 0.00 0.00 0.00 174.94 174.25 3f8y n PRO 61 N 4.25 1.48 -0.33 2.79 -0.02 -1.26 -4.81 135.00 137.10 3f8y n PRO 61 Ca 0.06 0.52 0.20 0.00 -2.02 0.00 0.00 63.50 62.26 3f8y n PRO 61 Cb 0.50 -2.05 0.45 0.00 -0.02 0.00 0.00 33.50 32.38 3f8y n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3f8y h GLU 62 N 3.39 0.49 0.00 -0.52 4.81 -1.92 0.79 114.58 121.61 3f8y h GLU 62 Ca -0.43 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3f8y h GLU 62 Cb 1.32 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 3f8y h GLU 62 CO 0.70 0.32 -0.02 1.57 -0.73 0.00 0.00 179.01 180.85 3f8y h LYS 63 N 0.50 0.00 -0.03 1.92 2.10 -2.00 -2.12 116.57 116.94 3f8y h LYS 63 Ca 0.60 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.25 3f8y h LYS 63 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 3f8y h LYS 63 CO -0.35 0.02 0.00 0.09 -2.00 0.00 0.00 179.45 177.21 3f8y n ASN 64 N -3.99 2.79 -4.73 7.07 3.02 0.26 -4.92 115.26 114.76 3f8y n ASN 64 Ca -0.03 -1.93 -0.35 0.00 -0.03 0.00 0.00 54.58 52.24 3f8y n ASN 64 Cb 0.10 -0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.19 3f8y n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3f8y s ARG 65 N -2.00 3.48 0.83 3.52 0.52 -0.80 -2.89 118.95 121.61 3f8y s ARG 65 Ca 0.29 -0.30 -0.11 0.00 -0.52 0.00 0.00 55.73 55.10 3f8y s ARG 65 Cb 0.20 -3.07 0.09 0.00 0.52 0.00 0.00 34.95 32.70 3f8y s ARG 65 CO 0.31 0.57 1.10 -1.25 0.02 0.00 0.00 175.30 176.05 3f8y s PRO 66 N -0.48 1.78 -0.11 3.54 0.04 -1.26 -4.96 135.00 133.55 3f8y s PRO 66 Ca 0.10 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 62.05 3f8y s PRO 66 Cb -0.12 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 3f8y s PRO 66 CO 0.02 -1.99 2.11 1.28 0.04 0.00 0.00 177.00 178.46 3f8y n LEU 67 N -3.76 3.65 -4.76 -3.56 4.77 -1.14 -4.89 117.00 107.30 3f8y n LEU 67 Ca 0.09 0.52 -0.38 0.00 -0.03 0.00 0.00 56.01 56.22 3f8y n LEU 67 Cb 0.53 -1.54 0.02 0.00 -2.33 0.00 0.00 43.42 40.10 3f8y n LEU 67 CO 0.53 -0.29 0.92 -0.54 -1.33 0.00 0.00 177.39 176.67 3f8y s LYS 68 N 5.50 3.41 0.00 3.23 1.02 -1.26 -2.92 119.74 128.72 3f8y s LYS 68 Ca 0.96 2.03 0.00 0.00 0.02 0.00 0.00 55.97 58.98 3f8y s LYS 68 Cb -0.39 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 3f8y s LYS 68 CO 0.39 -0.91 0.00 0.41 -0.92 0.00 0.00 175.35 174.32 3f8y n GLY 69 N 0.60 0.35 3.16 -3.33 0.00 -1.26 -4.96 105.19 99.74 3f8y n GLY 69 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 3f8y n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f8y s ARG 70 N -0.75 0.81 -0.01 1.61 0.52 -1.15 -4.50 118.95 115.49 3f8y s ARG 70 Ca 0.00 -0.90 -0.30 0.00 -0.52 0.00 0.00 55.73 54.01 3f8y s ARG 70 Cb 0.00 -0.81 -0.03 0.00 0.52 0.00 0.00 34.95 34.63 3f8y s ARG 70 CO 0.00 0.18 0.97 0.42 0.02 0.00 0.00 175.30 176.89 3f8y s ILE 71 N -1.20 4.87 -0.26 1.52 1.01 -0.21 -4.79 121.20 122.14 3f8y s ILE 71 Ca -0.02 2.04 -0.06 0.00 0.00 0.00 0.00 60.65 62.61 3f8y s ILE 71 Cb -0.10 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.06 3f8y s ILE 71 CO 0.02 0.16 0.03 0.20 0.00 0.00 0.00 174.94 175.35 3f8y s ASN 72 N 1.01 4.85 -0.11 3.58 0.02 -1.26 -0.35 114.94 122.68 3f8y s ASN 72 Ca 0.51 -0.46 0.04 0.00 -1.02 0.00 0.00 52.86 51.93 3f8y s ASN 72 Cb -0.21 -1.84 0.00 0.00 0.02 0.00 0.00 41.25 39.22 3f8y s ASN 72 CO 0.27 -0.09 -0.24 -0.22 0.02 0.00 0.00 177.10 176.85 3f8y s LEU 73 N 1.52 2.09 -0.10 0.60 0.20 -0.03 -1.29 118.68 121.67 3f8y s LEU 73 Ca 0.05 -0.56 -0.02 0.00 0.69 0.00 0.00 54.13 54.28 3f8y s LEU 73 Cb -0.16 -1.41 -0.03 0.00 -0.43 0.00 0.00 46.19 44.16 3f8y s LEU 73 CO 0.01 0.15 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.50 3f8y s VAL 74 N 0.41 4.08 -0.21 1.68 1.01 -0.33 -1.52 120.40 125.51 3f8y s VAL 74 Ca -0.17 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 3f8y s VAL 74 Cb -0.18 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 3f8y s VAL 74 CO 0.07 0.57 0.25 -0.76 0.00 0.00 0.00 175.10 175.24 3f8y s LEU 75 N -0.54 4.15 -0.24 3.92 1.43 0.48 -1.44 118.68 126.45 3f8y s LEU 75 Ca 0.09 0.31 -0.27 0.00 -1.03 0.00 0.00 54.13 53.23 3f8y s LEU 75 Cb -0.12 -2.27 0.11 0.00 0.03 0.00 0.00 46.19 43.94 3f8y s LEU 75 CO 0.02 0.03 0.95 -0.55 0.23 0.00 0.00 176.35 177.03 3f8y s SER 76 N 0.91 -0.49 -0.00 2.29 0.15 -0.60 -2.41 113.70 113.54 3f8y s SER 76 Ca 0.13 0.84 0.22 0.00 0.70 0.00 0.00 55.95 57.84 3f8y s SER 76 Cb -0.14 0.82 -0.21 0.00 -1.71 0.00 0.00 66.02 64.78 3f8y s SER 76 CO 0.05 -0.24 0.78 0.54 1.20 0.00 0.00 173.24 175.57 3f8y n ARG 77 N 1.86 0.27 0.04 5.44 1.74 -1.26 -4.12 116.66 120.63 3f8y n ARG 77 Ca -0.13 -0.07 -0.20 0.00 -0.77 0.00 0.00 57.85 56.68 3f8y n ARG 77 Cb 0.56 -1.52 -0.14 0.00 -1.02 0.00 0.00 32.46 30.34 3f8y n ARG 77 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3f8y h GLU 78 N 0.00 0.29 -7.02 5.56 5.08 -1.97 -3.47 114.58 113.06 3f8y h GLU 78 Ca 0.00 -0.50 -0.51 0.00 -1.00 0.00 0.00 59.36 57.35 3f8y h GLU 78 Cb 0.71 0.19 0.07 0.00 0.50 0.00 0.00 28.75 30.22 3f8y h GLU 78 CO 0.00 1.19 0.48 -0.51 -1.00 0.00 0.00 179.01 179.17 3f8y s LEU 79 N -7.06 3.96 -0.01 1.33 1.43 -1.26 -4.95 118.68 112.12 3f8y s LEU 79 Ca -0.17 2.31 0.18 0.00 -1.03 0.00 0.00 54.13 55.42 3f8y s LEU 79 Cb 0.06 -4.30 -0.23 0.00 0.03 0.00 0.00 46.19 41.75 3f8y s LEU 79 CO 0.82 -1.00 0.65 0.29 0.23 0.00 0.00 176.35 177.33 3f8y n LYS 80 N -0.65 0.86 -3.63 1.70 4.76 -1.26 -4.98 118.16 114.96 3f8y n LYS 80 Ca 0.08 -0.06 -0.10 0.00 -2.87 0.00 0.00 58.31 55.36 3f8y n LYS 80 Cb 0.48 -1.39 -0.04 0.00 -1.84 0.00 0.00 35.03 32.24 3f8y n LYS 80 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3f8y s GLU 81 N -2.91 1.11 0.43 1.97 -1.05 -1.26 -5.14 118.70 111.85 3f8y s GLU 81 Ca 0.02 -0.71 -0.25 0.00 -0.15 0.00 0.00 54.97 53.88 3f8y s GLU 81 Cb 0.13 0.48 -0.10 0.00 -0.44 0.00 0.00 34.13 34.21 3f8y s GLU 81 CO 0.76 -0.44 1.20 -2.30 0.95 0.00 0.00 175.26 175.42 3f8y n PRO 82 N -0.25 1.75 -0.88 -4.83 -0.02 -1.26 -4.95 135.00 124.56 3f8y n PRO 82 Ca -0.15 0.62 -0.33 0.00 -2.02 0.00 0.00 63.50 61.62 3f8y n PRO 82 Cb 0.64 -2.29 0.14 0.00 -0.02 0.00 0.00 33.50 31.96 3f8y n PRO 82 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3f8y n PRO 83 N 0.02 -0.16 -1.67 0.52 -0.02 -1.26 -4.83 135.00 127.60 3f8y n PRO 83 Ca 0.08 0.02 -0.58 0.00 -2.02 0.00 0.00 63.50 61.00 3f8y n PRO 83 Cb 0.40 -2.27 -0.07 0.00 -0.02 0.00 0.00 33.50 31.54 3f8y n PRO 83 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3f8y n GLN 84 N -3.21 0.88 0.00 -0.52 7.27 -1.26 -1.07 117.38 119.47 3f8y n GLN 84 Ca 0.11 0.32 0.00 0.00 0.07 0.00 0.00 57.00 57.51 3f8y n GLN 84 Cb 0.52 -1.95 0.00 0.00 2.41 0.00 0.00 30.24 31.21 3f8y n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3f8y n GLY 85 N 3.47 3.19 3.90 1.69 0.00 -1.26 -4.92 105.19 111.26 3f8y n GLY 85 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 3f8y n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f8y s ALA 86 N -2.37 3.22 -0.21 4.61 0.00 -0.24 -4.12 121.76 122.66 3f8y s ALA 86 Ca 0.00 -0.42 0.08 0.00 0.00 0.00 0.00 51.96 51.61 3f8y s ALA 86 Cb 0.00 -2.79 -0.18 0.00 0.00 0.00 0.00 23.12 20.15 3f8y s ALA 86 CO 0.00 -0.68 -0.10 0.72 0.00 0.00 0.00 175.76 175.70 3f8y n HIS 87 N -2.59 0.00 -4.03 0.00 -0.00 -0.41 -4.80 115.22 103.40 3f8y n HIS 87 Ca 0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.68 3f8y n HIS 87 Cb 0.56 -0.89 -0.10 0.00 -0.00 0.00 0.00 29.99 29.56 3f8y n HIS 87 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3f8y s PHE 88 N -2.45 0.37 -0.04 4.41 0.08 -0.84 -4.95 117.98 114.56 3f8y s PHE 88 Ca -0.22 -0.78 0.02 0.00 0.12 0.00 0.00 56.93 56.07 3f8y s PHE 88 Cb 0.07 -0.28 0.01 0.00 -0.57 0.00 0.00 43.02 42.25 3f8y s PHE 88 CO 0.62 -0.30 -0.07 -1.17 -0.10 0.00 0.00 175.22 174.20 3f8y s LEU 89 N -2.21 1.57 0.09 -0.37 2.96 -1.26 -1.19 118.68 118.28 3f8y s LEU 89 Ca -0.04 -0.17 0.05 0.00 -0.22 0.00 0.00 54.13 53.75 3f8y s LEU 89 Cb -0.01 -0.53 -0.03 0.00 0.50 0.00 0.00 46.19 46.12 3f8y s LEU 89 CO -0.06 0.01 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.40 3f8y s SER 90 N 0.58 1.82 0.18 3.68 0.01 -0.52 -4.96 113.70 114.48 3f8y s SER 90 Ca -0.09 -0.71 0.10 0.00 1.31 0.00 0.00 55.95 56.56 3f8y s SER 90 Cb -0.12 -0.06 -0.11 0.00 0.21 0.00 0.00 66.02 65.95 3f8y s SER 90 CO 0.01 -0.11 1.32 0.03 0.41 0.00 0.00 173.24 174.90 3f8y h ARG 91 N 3.92 0.00 -4.19 12.44 3.08 -1.88 -1.60 114.38 126.15 3f8y h ARG 91 Ca -0.40 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.50 3f8y h ARG 91 Cb 1.19 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.10 3f8y h ARG 91 CO 0.45 0.79 -0.53 -1.54 -1.07 0.00 0.00 179.97 178.07 3f8y s SER 92 N -6.59 0.23 0.13 7.04 1.04 -1.26 -4.46 113.70 109.82 3f8y s SER 92 Ca 0.02 -1.03 -0.16 0.00 0.48 0.00 0.00 55.95 55.26 3f8y s SER 92 Cb 0.09 0.33 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 3f8y s SER 92 CO 0.79 -0.76 1.64 0.25 0.98 0.00 0.00 173.24 176.14 3f8y h LEU 93 N 2.79 0.56 -0.96 2.42 5.85 -1.99 -1.20 115.31 122.78 3f8y h LEU 93 Ca -0.34 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.20 3f8y h LEU 93 Cb 1.20 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 3f8y h LEU 93 CO 0.56 0.62 0.63 0.44 -0.34 0.00 0.00 178.44 180.35 3f8y h ASP 94 N 0.47 1.06 -0.48 1.25 3.45 -1.99 -0.44 116.42 119.74 3f8y h ASP 94 Ca 0.12 -0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.56 3f8y h ASP 94 Cb 0.26 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.76 3f8y h ASP 94 CO -0.00 0.74 0.25 0.44 -1.57 0.00 0.00 179.24 179.10 3f8y h ASP 95 N 1.24 0.61 -0.62 6.45 5.19 -1.92 -0.62 116.42 126.75 3f8y h ASP 95 Ca 0.37 -0.10 0.01 0.00 -0.62 0.00 0.00 57.03 56.68 3f8y h ASP 95 Cb -0.05 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.27 3f8y h ASP 95 CO -0.11 0.54 0.41 0.00 -3.12 0.00 0.00 179.24 176.96 3f8y h ALA 96 N 1.10 0.78 -0.24 3.45 0.00 -0.42 -0.56 119.26 123.37 3f8y h ALA 96 Ca 0.17 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3f8y h ALA 96 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3f8y h ALA 96 CO -0.03 0.21 -0.37 -0.07 0.00 0.00 0.00 179.25 179.00 3f8y h LEU 97 N 0.83 0.55 -0.92 0.00 3.38 -0.97 -2.67 115.31 115.52 3f8y h LEU 97 Ca 0.23 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3f8y h LEU 97 Cb -0.09 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 3f8y h LEU 97 CO -0.05 0.87 0.55 0.11 0.09 0.00 0.00 178.44 180.01 3f8y h LYS 98 N 0.44 1.25 -0.86 1.13 1.57 -0.76 -3.01 116.57 116.33 3f8y h LYS 98 Ca 0.05 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3f8y h LYS 98 Cb 0.84 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.85 3f8y h LYS 98 CO 0.07 0.88 0.55 1.25 -0.57 0.00 0.00 179.45 181.64 3f8y h LEU 99 N 1.27 1.00 -2.60 2.94 6.46 -0.77 -1.18 115.31 122.43 3f8y h LEU 99 Ca 0.33 -0.03 0.01 0.00 -0.12 0.00 0.00 57.88 58.06 3f8y h LEU 99 Cb -0.04 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 39.64 3f8y h LEU 99 CO -0.06 0.73 0.05 0.71 -0.62 0.00 0.00 178.44 179.26 3f8y h THR 100 N 1.17 0.29 0.00 1.05 1.35 -1.37 -0.57 112.91 114.83 3f8y h THR 100 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.17 3f8y h THR 100 Cb -0.11 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.26 3f8y h THR 100 CO -0.07 0.00 -0.57 -0.62 -0.25 0.00 0.00 175.52 174.01 3f8y n GLU 101 N -3.50 0.26 -2.23 4.72 -0.58 -0.45 -1.66 120.64 117.19 3f8y n GLU 101 Ca -0.02 0.08 -0.36 0.00 -0.42 0.00 0.00 57.16 56.44 3f8y n GLU 101 Cb 0.13 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.33 3f8y n GLU 101 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3f8y s GLN 102 N -3.15 3.43 0.61 3.49 -1.52 -0.22 -4.60 119.66 117.71 3f8y s GLN 102 Ca 0.07 1.68 0.28 0.00 -1.95 0.00 0.00 55.36 55.45 3f8y s GLN 102 Cb 0.14 -2.11 1.45 0.00 -0.22 0.00 0.00 33.01 32.27 3f8y s GLN 102 CO 0.71 -0.80 1.85 -1.00 -0.25 0.00 0.00 175.29 175.80 3f8y h PRO 103 N 1.41 0.00 0.00 2.91 0.13 -1.91 0.82 132.00 135.36 3f8y h PRO 103 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3f8y h PRO 103 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3f8y h PRO 103 CO 0.58 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.50 3f8y n GLU 104 N -3.46 0.21 0.00 0.86 0.28 -1.26 -4.35 120.64 112.93 3f8y n GLU 104 Ca 0.06 0.31 0.00 0.00 -0.16 0.00 0.00 57.16 57.37 3f8y n GLU 104 Cb 0.64 -1.82 0.00 0.00 1.43 0.00 0.00 31.44 31.69 3f8y n GLU 104 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3f8y n LEU 105 N -2.21 0.00 0.06 -1.84 4.77 0.16 -4.84 117.00 113.10 3f8y n LEU 105 Ca 0.04 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.22 3f8y n LEU 105 Cb 0.33 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 42.15 3f8y n LEU 105 CO 0.25 0.00 1.18 0.00 -1.33 0.00 0.00 177.39 177.49 3f8y h ALA 106 N 0.00 2.28 -0.01 -1.18 0.00 -0.28 0.18 119.26 120.25 3f8y h ALA 106 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3f8y h ALA 106 Cb 0.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3f8y h ALA 106 CO 0.00 -0.61 -0.44 0.27 0.00 0.00 0.00 179.25 178.48 3f8y n ASN 107 N -4.08 1.20 -0.03 0.00 6.94 -1.26 -4.02 115.26 114.02 3f8y n ASN 107 Ca 0.08 -0.96 -0.00 0.00 -0.02 0.00 0.00 54.58 53.67 3f8y n ASN 107 Cb 0.57 0.34 -0.08 0.00 -2.36 0.00 0.00 39.78 38.25 3f8y n ASN 107 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3f8y n LYS 108 N -0.72 1.48 -3.85 -3.83 5.02 0.57 -4.84 118.16 112.00 3f8y n LYS 108 Ca 0.09 -0.05 -0.35 0.00 -2.02 0.00 0.00 58.31 55.99 3f8y n LYS 108 Cb 0.38 -1.25 -0.10 0.00 -0.02 0.00 0.00 35.03 34.04 3f8y n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3f8y s VAL 109 N -2.45 4.97 0.00 -0.18 1.01 -0.84 -1.39 120.40 121.52 3f8y s VAL 109 Ca -0.04 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.97 3f8y s VAL 109 Cb 0.05 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3f8y s VAL 109 CO 0.41 0.41 0.00 -0.67 0.00 0.00 0.00 175.10 175.26 3f8y n ASP 110 N 3.88 0.00 -4.83 3.32 4.64 -0.13 -4.12 116.55 119.31 3f8y n ASP 110 Ca -0.16 0.00 -0.33 0.00 -1.38 0.00 0.00 54.79 52.92 3f8y n ASP 110 Cb 0.52 0.00 -0.07 0.00 -1.04 0.00 0.00 41.12 40.53 3f8y n ASP 110 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 3f8y s MET 111 N 0.38 4.14 -0.17 -0.67 -1.94 -1.26 0.32 119.30 120.09 3f8y s MET 111 Ca 0.00 0.91 -0.04 0.00 -1.71 0.00 0.00 55.69 54.85 3f8y s MET 111 Cb 0.00 -2.35 -0.02 0.00 2.01 0.00 0.00 34.83 34.47 3f8y s MET 111 CO 0.00 0.09 -0.04 0.08 -0.01 0.00 0.00 175.02 175.14 3f8y s VAL 112 N -2.04 3.77 -0.21 -6.03 1.01 0.21 -0.72 120.40 116.40 3f8y s VAL 112 Ca 0.57 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.17 3f8y s VAL 112 Cb -0.10 -2.67 0.03 0.00 0.00 0.00 0.00 36.38 33.64 3f8y s VAL 112 CO 0.16 0.47 -0.16 0.26 0.00 0.00 0.00 175.10 175.83 3f8y s TRP 113 N 0.68 2.95 -0.27 5.22 0.52 0.45 -0.97 118.94 127.51 3f8y s TRP 113 Ca -0.02 -1.79 -0.23 0.00 0.02 0.00 0.00 56.10 54.08 3f8y s TRP 113 Cb -0.14 -1.94 -0.01 0.00 -1.15 0.00 0.00 33.47 30.22 3f8y s TRP 113 CO 0.02 -0.81 0.74 0.42 0.02 0.00 0.00 176.95 177.34 3f8y s ILE 114 N 1.25 4.87 -0.59 2.03 1.01 0.75 -0.84 121.20 129.69 3f8y s ILE 114 Ca 0.01 1.24 0.09 0.00 0.00 0.00 0.00 60.65 61.99 3f8y s ILE 114 Cb -0.15 -4.06 0.25 0.00 0.01 0.00 0.00 42.46 38.50 3f8y s ILE 114 CO -0.10 -0.11 1.20 1.33 0.00 0.00 0.00 174.94 177.26 3f8y n VAL 115 N 5.35 1.15 0.00 2.92 0.24 -0.48 -1.66 118.33 125.85 3f8y n VAL 115 Ca 0.03 -1.13 0.00 0.00 -2.04 0.00 0.00 64.34 61.20 3f8y n VAL 115 Cb 0.48 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 3f8y n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3f8y n GLY 116 N 0.08 2.85 0.00 7.63 0.00 -1.26 -4.96 105.19 109.54 3f8y n GLY 116 Ca 0.10 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.16 3f8y n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f8y n GLY 117 N -1.46 2.28 0.15 -0.02 0.00 -1.26 -0.80 105.19 104.08 3f8y n GLY 117 Ca 0.00 -1.85 -0.07 0.00 0.00 0.00 0.00 46.02 44.10 3f8y n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3f8y h SER 118 N 0.00 -0.31 0.03 1.61 0.02 -1.98 -1.06 113.55 111.86 3f8y h SER 118 Ca 0.00 0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.94 3f8y h SER 118 Cb 0.00 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3f8y h SER 118 CO 0.00 -0.11 -0.31 0.77 -1.14 0.00 0.00 176.83 176.04 3f8y h SER 119 N -0.03 0.42 -0.17 3.07 4.64 -1.96 -0.43 113.55 119.10 3f8y h SER 119 Ca 0.14 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 61.23 3f8y h SER 119 Cb 0.23 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3f8y h SER 119 CO -0.30 0.71 -0.16 0.58 -0.87 0.00 0.00 176.83 176.80 3f8y h VAL 120 N 0.36 1.34 -0.43 0.95 2.07 -1.74 -2.07 116.25 116.73 3f8y h VAL 120 Ca 0.05 -1.30 0.06 0.00 0.82 0.00 0.00 66.70 66.33 3f8y h VAL 120 Cb 0.72 1.82 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 3f8y h VAL 120 CO 0.06 0.39 0.11 1.88 0.02 0.00 0.00 177.57 180.03 3f8y h TYR 121 N 0.05 0.19 -0.28 1.57 0.99 -1.05 -2.16 116.97 116.29 3f8y h TYR 121 Ca 0.03 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.80 3f8y h TYR 121 Cb 0.69 -0.02 -0.02 0.00 1.00 0.00 0.00 36.73 38.37 3f8y h TYR 121 CO 0.08 0.04 0.13 -0.22 -0.00 0.00 0.00 178.16 178.19 3f8y h LYS 122 N 0.25 0.26 -0.32 4.88 3.64 -0.89 0.37 116.57 124.76 3f8y h LYS 122 Ca 0.21 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3f8y h LYS 122 Cb 0.23 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3f8y h LYS 122 CO -0.25 0.17 0.06 1.49 -2.27 0.00 0.00 179.45 178.66 3f8y h GLU 123 N 0.27 0.53 -0.56 1.90 4.57 -1.27 -2.23 114.58 117.79 3f8y h GLU 123 Ca 0.12 -0.14 0.04 0.00 -1.18 0.00 0.00 59.36 58.20 3f8y h GLU 123 Cb 0.05 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 3f8y h GLU 123 CO -0.09 0.61 0.31 0.00 -1.18 0.00 0.00 179.01 178.66 3f8y h ALA 124 N 0.90 0.73 0.00 2.92 0.00 -1.15 -2.41 119.26 120.24 3f8y h ALA 124 Ca 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3f8y h ALA 124 Cb 0.33 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3f8y h ALA 124 CO 0.00 -0.01 -0.08 0.52 0.00 0.00 0.00 179.25 179.69 3f8y h MET 125 N 0.60 0.00 -0.29 0.00 2.86 -0.63 -2.89 114.93 114.59 3f8y h MET 125 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3f8y h MET 125 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3f8y h MET 125 CO -0.14 0.08 0.00 0.09 1.06 0.00 0.00 176.91 177.99 3f8y n ASN 126 N -3.26 2.77 -4.72 1.22 3.02 -0.86 -4.95 115.26 108.48 3f8y n ASN 126 Ca -0.00 -1.86 -0.37 0.00 -0.03 0.00 0.00 54.58 52.32 3f8y n ASN 126 Cb 0.29 -0.19 -0.07 0.00 -0.61 0.00 0.00 39.78 39.21 3f8y n ASN 126 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3f8y s HIS 127 N -1.02 3.46 0.48 3.10 2.46 -0.94 -5.05 115.29 117.79 3f8y s HIS 127 Ca 0.23 0.63 -0.23 0.00 0.47 0.00 0.00 55.06 56.16 3f8y s HIS 127 Cb 0.13 -2.38 -0.08 0.00 -0.13 0.00 0.00 32.58 30.12 3f8y s HIS 127 CO 0.17 0.21 1.12 -2.30 -2.47 0.00 0.00 174.74 171.48 3f8y n PRO 128 N 3.64 1.45 0.00 2.88 -0.02 -1.26 -4.89 135.00 136.80 3f8y n PRO 128 Ca -0.11 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3f8y n PRO 128 Cb 0.52 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3f8y n PRO 128 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f8y n GLY 129 N 1.05 0.92 3.62 -1.23 0.00 -1.26 -4.96 105.19 103.33 3f8y n GLY 129 Ca 0.10 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 3f8y n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3f8y s HIS 130 N -1.41 3.26 -0.09 1.61 2.46 -1.26 -2.48 115.29 117.38 3f8y s HIS 130 Ca 0.00 0.77 -0.07 0.00 0.47 0.00 0.00 55.06 56.23 3f8y s HIS 130 Cb 0.00 -2.92 0.03 0.00 -0.13 0.00 0.00 32.58 29.55 3f8y s HIS 130 CO 0.00 -0.39 0.23 -1.17 -2.47 0.00 0.00 174.74 170.94 3f8y s LEU 131 N 2.59 0.99 0.05 8.88 2.96 -1.14 -4.49 118.68 128.51 3f8y s LEU 131 Ca 0.27 0.46 0.05 0.00 -0.22 0.00 0.00 54.13 54.69 3f8y s LEU 131 Cb -0.15 0.75 -0.04 0.00 0.50 0.00 0.00 46.19 47.25 3f8y s LEU 131 CO 0.10 -0.10 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.40 3f8y s LYS 132 N 0.37 2.33 -0.17 1.98 1.02 -1.07 -1.04 119.74 123.16 3f8y s LYS 132 Ca -0.02 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.09 3f8y s LYS 132 Cb -0.04 -2.39 0.01 0.00 -0.52 0.00 0.00 37.83 34.89 3f8y s LYS 132 CO -0.02 0.55 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.30 3f8y s LEU 133 N -1.77 2.36 -0.45 3.17 1.43 0.16 -0.97 118.68 122.61 3f8y s LEU 133 Ca 0.19 -0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 52.60 3f8y s LEU 133 Cb -0.11 -1.55 0.06 0.00 0.03 0.00 0.00 46.19 44.62 3f8y s LEU 133 CO 0.10 0.03 0.36 -0.36 0.23 0.00 0.00 176.35 176.71 3f8y s PHE 134 N 1.12 3.25 -0.20 0.29 0.40 0.59 -0.41 117.98 123.02 3f8y s PHE 134 Ca 0.00 -0.91 -0.00 0.00 -0.60 0.00 0.00 56.93 55.42 3f8y s PHE 134 Cb -0.14 -3.00 0.02 0.00 0.51 0.00 0.00 43.02 40.40 3f8y s PHE 134 CO -0.06 -0.75 -0.15 0.08 0.70 0.00 0.00 175.22 175.04 3f8y s VAL 135 N 1.63 2.43 -0.26 -0.44 1.01 0.01 -1.44 120.40 123.34 3f8y s VAL 135 Ca 0.04 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 60.96 3f8y s VAL 135 Cb -0.23 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 3f8y s VAL 135 CO 0.07 0.46 0.55 -0.89 0.00 0.00 0.00 175.10 175.29 3f8y s THR 136 N 1.33 5.04 -0.49 3.92 2.01 -0.07 -0.68 115.64 126.69 3f8y s THR 136 Ca 0.04 0.97 -0.22 0.00 0.31 0.00 0.00 61.69 62.79 3f8y s THR 136 Cb -0.14 -3.86 0.04 0.00 0.01 0.00 0.00 72.50 68.54 3f8y s THR 136 CO -0.10 0.07 0.78 -0.13 -0.69 0.00 0.00 174.62 174.55 3f8y s ARG 137 N 2.38 3.30 -0.37 4.92 1.81 0.42 -0.83 118.95 130.58 3f8y s ARG 137 Ca 0.23 -0.37 -0.26 0.00 -1.72 0.00 0.00 55.73 53.61 3f8y s ARG 137 Cb -0.16 -4.01 0.02 0.00 -0.45 0.00 0.00 34.95 30.35 3f8y s ARG 137 CO 0.09 -1.25 0.94 0.42 -0.68 0.00 0.00 175.30 174.82 3f8y s ILE 138 N 3.29 4.57 -0.70 1.52 -1.09 0.36 -1.46 121.20 127.70 3f8y s ILE 138 Ca 0.26 1.23 -0.04 0.00 -2.23 0.00 0.00 60.65 59.87 3f8y s ILE 138 Cb -0.14 -4.34 0.08 0.00 -1.58 0.00 0.00 42.46 36.48 3f8y s ILE 138 CO 0.19 -0.54 2.65 0.23 -1.23 0.00 0.00 174.94 176.23 3f8y n MET 139 N 6.80 3.04 -3.78 2.79 2.81 -0.16 -2.45 117.12 126.17 3f8y n MET 139 Ca 0.07 -2.70 -0.10 0.00 -1.81 0.00 0.00 57.70 53.17 3f8y n MET 139 Cb 0.48 -2.28 -0.05 0.00 -0.71 0.00 0.00 33.22 30.66 3f8y n MET 139 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3f8y s GLN 140 N -1.64 1.21 0.11 0.03 -0.21 -1.26 -4.82 119.66 113.09 3f8y s GLN 140 Ca 0.57 -0.92 -0.24 0.00 0.02 0.00 0.00 55.36 54.80 3f8y s GLN 140 Cb 0.33 0.46 -0.07 0.00 1.00 0.00 0.00 33.01 34.73 3f8y s GLN 140 CO -0.19 -0.48 0.73 -0.51 -2.12 0.00 0.00 175.29 172.72 3f8y s ASP 141 N -2.88 7.26 -0.02 5.90 1.01 -1.26 -1.28 116.67 125.40 3f8y s ASP 141 Ca 0.10 1.50 0.01 0.00 0.71 0.00 0.00 52.55 54.86 3f8y s ASP 141 Cb 0.01 -2.46 0.01 0.00 1.01 0.00 0.00 42.92 41.49 3f8y s ASP 141 CO -0.05 0.16 -0.02 -0.36 0.21 0.00 0.00 175.17 175.11 3f8y s PHE 142 N -0.79 0.35 0.06 4.23 0.08 -1.26 -4.98 117.98 115.67 3f8y s PHE 142 Ca 0.35 -0.05 -0.35 0.00 0.12 0.00 0.00 56.93 57.01 3f8y s PHE 142 Cb -0.22 -0.32 -0.14 0.00 -0.57 0.00 0.00 43.02 41.78 3f8y s PHE 142 CO 0.24 -0.07 1.64 -1.91 -0.10 0.00 0.00 175.22 175.02 3f8y n GLU 143 N 3.54 2.00 -4.06 0.44 2.13 -1.26 -4.79 120.64 118.63 3f8y n GLU 143 Ca -0.20 0.72 -0.07 0.00 0.66 0.00 0.00 57.16 58.27 3f8y n GLU 143 Cb 0.55 -2.50 -0.10 0.00 0.27 0.00 0.00 31.44 29.66 3f8y n GLU 143 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 3f8y s SER 144 N 1.88 0.43 0.00 4.31 0.01 -1.26 -4.73 113.70 114.33 3f8y s SER 144 Ca 0.84 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 57.22 3f8y s SER 144 Cb -0.73 0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.68 3f8y s SER 144 CO 0.44 -0.54 0.50 -0.90 0.41 0.00 0.00 173.24 173.16 3f8y n ASP 145 N 0.43 0.92 -3.94 2.44 5.68 0.29 -4.96 116.55 117.41 3f8y n ASP 145 Ca -0.16 -1.21 -0.10 0.00 -0.50 0.00 0.00 54.79 52.82 3f8y n ASP 145 Cb 0.60 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.47 3f8y n ASP 145 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3f8y s THR 146 N -0.21 0.11 0.03 2.12 -1.32 -0.97 -4.99 115.64 110.40 3f8y s THR 146 Ca 0.00 -0.87 0.02 0.00 -1.21 0.00 0.00 61.69 59.63 3f8y s THR 146 Cb 0.00 -0.42 -0.02 0.00 -1.51 0.00 0.00 72.50 70.55 3f8y s THR 146 CO 0.00 -0.48 -0.08 -0.36 -2.21 0.00 0.00 174.62 171.49 3f8y s PHE 147 N -1.61 0.67 0.25 9.09 0.40 -1.26 -0.87 117.98 124.65 3f8y s PHE 147 Ca -0.14 -0.41 -0.30 0.00 -0.60 0.00 0.00 56.93 55.48 3f8y s PHE 147 Cb -0.08 -0.40 -0.09 0.00 0.51 0.00 0.00 43.02 42.96 3f8y s PHE 147 CO -0.01 -0.06 1.13 0.12 0.70 0.00 0.00 175.22 177.10 3f8y s PHE 148 N -1.12 3.52 0.87 0.36 5.36 0.26 -4.68 117.98 122.55 3f8y s PHE 148 Ca -0.07 1.62 -0.10 0.00 -0.96 0.00 0.00 56.93 57.42 3f8y s PHE 148 Cb -0.08 -3.33 0.12 0.00 -0.34 0.00 0.00 43.02 39.38 3f8y s PHE 148 CO 0.00 -0.75 1.12 -2.14 -1.46 0.00 0.00 175.22 171.99 3f8y s PRO 149 N -1.12 1.37 0.30 10.12 0.02 -1.26 -4.93 135.00 139.49 3f8y s PRO 149 Ca 0.47 1.37 -0.30 0.00 0.02 0.00 0.00 61.00 62.56 3f8y s PRO 149 Cb -0.32 -1.78 -0.12 0.00 0.02 0.00 0.00 34.50 32.30 3f8y s PRO 149 CO 0.40 -2.33 1.57 -1.91 -0.33 0.00 0.00 177.00 174.41 3f8y n GLU 150 N -4.01 2.65 -3.27 5.54 2.13 -1.26 -4.97 120.64 117.46 3f8y n GLU 150 Ca 0.10 0.94 -0.42 0.00 0.66 0.00 0.00 57.16 58.45 3f8y n GLU 150 Cb 0.53 -2.71 -0.08 0.00 0.27 0.00 0.00 31.44 29.44 3f8y n GLU 150 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3f8y s ILE 151 N -0.11 5.03 -0.60 6.31 1.01 -1.26 -5.03 121.20 126.55 3f8y s ILE 151 Ca 0.63 0.14 -0.28 0.00 0.00 0.00 0.00 60.65 61.15 3f8y s ILE 151 Cb -0.50 -3.98 0.03 0.00 0.01 0.00 0.00 42.46 38.01 3f8y s ILE 151 CO 0.50 -0.28 1.27 -0.62 0.00 0.00 0.00 174.94 175.82 3f8y s ASP 152 N 1.79 6.30 0.00 3.58 3.68 -1.26 -4.88 116.67 125.89 3f8y s ASP 152 Ca 0.17 0.07 0.23 0.00 2.13 0.00 0.00 52.55 55.14 3f8y s ASP 152 Cb -0.16 -2.55 1.05 0.00 -1.45 0.00 0.00 42.92 39.81 3f8y s ASP 152 CO 0.14 -1.61 1.74 0.18 0.13 0.00 0.00 175.17 175.75 3f8y n LEU 153 N 8.95 0.00 0.26 -1.34 4.77 -1.26 -0.72 117.00 127.66 3f8y n LEU 153 Ca 0.09 0.43 0.15 0.00 -0.03 0.00 0.00 56.01 56.65 3f8y n LEU 153 Cb 0.49 -0.43 0.63 0.00 -2.33 0.00 0.00 43.42 41.78 3f8y n LEU 153 CO 0.71 -0.09 0.95 -0.08 -1.33 0.00 0.00 177.39 177.55 3f8y h GLU 154 N 0.00 0.00 0.00 3.23 4.57 -2.03 -3.34 114.58 117.01 3f8y h GLU 154 Ca 0.00 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 57.92 3f8y h GLU 154 Cb 0.33 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 3f8y h GLU 154 CO 0.00 0.05 -1.88 1.17 -1.18 0.00 0.00 179.01 177.17 3f8y n LYS 155 N -3.17 0.34 -3.17 1.92 4.81 -0.67 -4.95 118.16 113.27 3f8y n LYS 155 Ca 0.00 0.14 -0.43 0.00 -0.87 0.00 0.00 58.31 57.16 3f8y n LYS 155 Cb 0.34 -1.10 -0.07 0.00 0.02 0.00 0.00 35.03 34.22 3f8y n LYS 155 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3f8y s TYR 156 N -2.29 3.11 -0.12 5.64 1.51 0.10 -4.24 117.35 121.06 3f8y s TYR 156 Ca -0.22 -0.07 -0.22 0.00 -1.01 0.00 0.00 57.07 55.54 3f8y s TYR 156 Cb 0.08 -3.19 -0.03 0.00 -0.11 0.00 0.00 41.96 38.71 3f8y s TYR 156 CO 0.29 -0.78 0.67 0.15 -1.11 0.00 0.00 175.55 174.77 3f8y s LYS 157 N 2.62 4.34 -0.12 -0.62 -0.14 -0.20 -4.50 119.74 121.13 3f8y s LYS 157 Ca 0.20 0.78 -0.29 0.00 -1.36 0.00 0.00 55.97 55.29 3f8y s LYS 157 Cb -0.15 -3.50 -0.03 0.00 -1.68 0.00 0.00 37.83 32.47 3f8y s LYS 157 CO 0.17 -0.07 1.32 -1.17 -0.76 0.00 0.00 175.35 174.84 3f8y s LEU 158 N 1.29 4.23 0.30 3.17 2.96 -1.26 -0.86 118.68 128.51 3f8y s LEU 158 Ca 0.34 1.83 -0.28 0.00 -0.22 0.00 0.00 54.13 55.80 3f8y s LEU 158 Cb -0.17 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.89 3f8y s LEU 158 CO 0.14 -0.75 0.99 -0.76 -1.32 0.00 0.00 176.35 174.65 3f8y s LEU 159 N 3.28 4.45 0.48 -0.68 1.43 0.22 -4.95 118.68 122.90 3f8y s LEU 159 Ca 0.58 2.00 0.24 0.00 -1.03 0.00 0.00 54.13 55.92 3f8y s LEU 159 Cb -0.25 -3.83 1.22 0.00 0.03 0.00 0.00 46.19 43.36 3f8y s LEU 159 CO 0.19 -0.08 1.98 1.55 0.23 0.00 0.00 176.35 180.22 3f8y h PRO 160 N 3.50 0.00 -1.88 1.29 0.13 -1.95 -3.44 132.00 129.66 3f8y h PRO 160 Ca -0.46 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 64.92 3f8y h PRO 160 Cb 1.20 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.23 3f8y h PRO 160 CO 0.66 0.18 0.66 -1.83 -0.23 0.00 0.00 178.00 177.44 3f8y s GLU 161 N -4.10 0.78 -0.17 0.86 -1.05 -1.26 -5.06 118.70 108.71 3f8y s GLU 161 Ca -0.02 -0.43 -0.14 0.00 -0.15 0.00 0.00 54.97 54.23 3f8y s GLU 161 Cb 0.13 0.27 0.05 0.00 -0.44 0.00 0.00 34.13 34.13 3f8y s GLU 161 CO 0.62 -0.36 0.43 -0.47 0.95 0.00 0.00 175.26 176.43 3f8y s TYR 162 N -2.84 -0.52 0.29 4.83 5.04 -1.26 -5.04 117.35 117.84 3f8y s TYR 162 Ca 0.13 1.21 -0.30 0.00 -2.44 0.00 0.00 57.07 55.67 3f8y s TYR 162 Cb 0.02 0.20 -0.12 0.00 0.35 0.00 0.00 41.96 42.40 3f8y s TYR 162 CO -0.01 -0.26 1.54 -2.30 -1.34 0.00 0.00 175.55 173.17 3f8y n PRO 163 N 3.24 2.53 -0.80 4.97 -0.02 -1.26 -1.93 135.00 141.72 3f8y n PRO 163 Ca -0.16 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3f8y n PRO 163 Cb 0.57 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3f8y n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f8y n GLY 164 N 2.03 1.16 3.22 -1.23 0.00 -1.26 -5.02 105.19 104.09 3f8y n GLY 164 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3f8y n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f8y s VAL 165 N -3.70 2.73 0.34 1.61 1.01 -0.81 -5.07 120.40 116.50 3f8y s VAL 165 Ca 0.00 -0.71 -0.28 0.00 0.00 0.00 0.00 61.98 60.98 3f8y s VAL 165 Cb 0.00 -2.20 -0.10 0.00 0.00 0.00 0.00 36.38 34.07 3f8y s VAL 165 CO 0.00 0.48 1.31 -0.76 0.00 0.00 0.00 175.10 176.13 3f8y s LEU 166 N 1.39 4.41 0.02 3.92 1.43 -1.26 -4.51 118.68 124.06 3f8y s LEU 166 Ca 0.05 2.69 0.22 0.00 -1.03 0.00 0.00 54.13 56.06 3f8y s LEU 166 Cb -0.14 -3.67 -0.15 0.00 0.03 0.00 0.00 46.19 42.26 3f8y s LEU 166 CO -0.08 -0.56 0.82 -1.20 0.23 0.00 0.00 176.35 175.56 3f8y n SER 167 N 0.73 0.54 -4.83 2.29 7.64 -1.26 -4.38 113.62 114.35 3f8y n SER 167 Ca 0.00 -0.35 -0.22 0.00 1.01 0.00 0.00 58.87 59.31 3f8y n SER 167 Cb 0.42 1.21 0.08 0.00 -1.01 0.00 0.00 64.21 64.91 3f8y n SER 167 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3f8y s ASP 168 N -3.89 4.75 0.16 6.43 3.84 -1.26 -4.88 116.67 121.83 3f8y s ASP 168 Ca 0.01 -0.42 -0.30 0.00 -0.00 0.00 0.00 52.55 51.84 3f8y s ASP 168 Cb 0.15 -0.13 -0.07 0.00 -1.38 0.00 0.00 42.92 41.49 3f8y s ASP 168 CO 0.85 -1.56 1.12 -0.69 -0.00 0.00 0.00 175.17 174.90 3f8y s VAL 169 N -2.92 3.88 0.23 2.11 1.01 -1.26 -4.61 120.40 118.83 3f8y s VAL 169 Ca 0.63 1.57 0.07 0.00 0.00 0.00 0.00 61.98 64.24 3f8y s VAL 169 Cb -0.07 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 3f8y s VAL 169 CO 0.41 0.24 0.17 -1.10 0.00 0.00 0.00 175.10 174.83 3f8y s GLN 170 N -0.14 2.88 -0.17 2.72 -1.52 0.86 -4.96 119.66 119.34 3f8y s GLN 170 Ca 0.51 -1.02 -0.08 0.00 -1.95 0.00 0.00 55.36 52.82 3f8y s GLN 170 Cb -0.30 -2.56 0.06 0.00 -0.22 0.00 0.00 33.01 29.99 3f8y s GLN 170 CO 0.34 0.42 0.39 -2.00 -0.25 0.00 0.00 175.29 174.19 3f8y s GLU 171 N -3.61 0.35 0.00 2.91 2.12 -1.26 -0.85 118.70 118.36 3f8y s GLU 171 Ca 0.32 0.80 0.01 0.00 0.36 0.00 0.00 54.97 56.46 3f8y s GLU 171 Cb -0.08 0.02 -0.00 0.00 0.26 0.00 0.00 34.13 34.33 3f8y s GLU 171 CO 0.24 -0.18 -0.03 -1.21 -0.54 0.00 0.00 175.26 173.54 3f8y s GLU 172 N 1.64 0.22 -1.36 4.30 2.02 -0.86 -4.88 118.70 119.79 3f8y s GLU 172 Ca -0.08 -0.16 -0.08 0.00 0.02 0.00 0.00 54.97 54.67 3f8y s GLU 172 Cb -0.09 -0.18 0.05 0.00 0.10 0.00 0.00 34.13 34.01 3f8y s GLU 172 CO -0.12 0.05 0.53 1.63 0.02 0.00 0.00 175.26 177.36 3f8y n LYS 173 N 2.84 -3.87 -1.05 1.61 5.02 -1.26 -0.70 118.16 120.75 3f8y n LYS 173 Ca -0.14 0.60 -0.02 0.00 -2.02 0.00 0.00 58.31 56.74 3f8y n LYS 173 Cb 0.59 -5.36 -0.01 0.00 -0.02 0.00 0.00 35.03 30.23 3f8y n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f8y n GLY 174 N -1.28 0.42 3.33 0.72 0.00 -1.26 -5.00 105.19 102.12 3f8y n GLY 174 Ca -0.04 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 3f8y n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f8y s ILE 175 N -1.67 3.71 0.19 -0.61 1.01 0.12 -5.09 121.20 118.86 3f8y s ILE 175 Ca 0.00 -0.62 -0.29 0.00 0.00 0.00 0.00 60.65 59.74 3f8y s ILE 175 Cb 0.00 -2.83 -0.08 0.00 0.01 0.00 0.00 42.46 39.56 3f8y s ILE 175 CO 0.00 0.22 0.90 -0.54 0.00 0.00 0.00 174.94 175.51 3f8y s LYS 176 N 1.48 4.75 0.16 2.79 1.02 -1.26 -2.03 119.74 126.65 3f8y s LYS 176 Ca 0.04 1.38 -0.10 0.00 0.02 0.00 0.00 55.97 57.31 3f8y s LYS 176 Cb -0.16 -3.29 -0.00 0.00 -0.52 0.00 0.00 37.83 33.85 3f8y s LYS 176 CO 0.00 0.48 0.31 1.52 -0.92 0.00 0.00 175.35 176.74 3f8y s TYR 177 N -0.95 0.27 0.03 3.18 -0.85 -0.03 -0.99 117.35 118.02 3f8y s TYR 177 Ca 0.40 -0.64 -0.08 0.00 -0.52 0.00 0.00 57.07 56.23 3f8y s TYR 177 Cb -0.25 0.02 0.00 0.00 0.38 0.00 0.00 41.96 42.11 3f8y s TYR 177 CO 0.30 -0.73 0.16 -1.59 -1.52 0.00 0.00 175.55 172.17 3f8y s LYS 178 N -3.94 0.61 -0.16 -3.49 -2.85 -0.53 -0.09 119.74 109.28 3f8y s LYS 178 Ca 0.14 -0.57 -0.08 0.00 -1.00 0.00 0.00 55.97 54.46 3f8y s LYS 178 Cb 0.03 0.25 -0.04 0.00 -2.06 0.00 0.00 37.83 36.00 3f8y s LYS 178 CO -0.02 -0.16 0.13 -0.06 0.10 0.00 0.00 175.35 175.33 3f8y s PHE 179 N -2.16 3.47 0.09 1.78 0.40 -1.26 -0.44 117.98 119.86 3f8y s PHE 179 Ca -0.08 0.40 0.05 0.00 -0.60 0.00 0.00 56.93 56.69 3f8y s PHE 179 Cb -0.03 -2.05 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 3f8y s PHE 179 CO -0.02 0.48 -0.13 -1.21 0.70 0.00 0.00 175.22 175.04 3f8y s GLU 180 N -0.28 0.85 -0.09 0.44 2.02 0.14 -4.82 118.70 116.97 3f8y s GLU 180 Ca 0.11 -1.05 0.01 0.00 0.02 0.00 0.00 54.97 54.06 3f8y s GLU 180 Cb -0.12 -0.74 0.02 0.00 0.10 0.00 0.00 34.13 33.39 3f8y s GLU 180 CO 0.01 0.15 -0.11 0.08 0.02 0.00 0.00 175.26 175.41 3f8y s VAL 181 N -1.74 1.13 0.07 2.63 1.01 -1.26 -0.81 120.40 121.44 3f8y s VAL 181 Ca 0.02 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.62 3f8y s VAL 181 Cb -0.07 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3f8y s VAL 181 CO 0.02 0.37 -0.04 -0.31 0.00 0.00 0.00 175.10 175.13 3f8y s TYR 182 N 1.07 2.90 -0.03 5.22 1.51 0.45 -0.61 117.35 127.85 3f8y s TYR 182 Ca -0.07 -0.06 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 3f8y s TYR 182 Cb -0.15 -1.53 0.03 0.00 -0.11 0.00 0.00 41.96 40.20 3f8y s TYR 182 CO -0.01 0.44 0.01 -2.00 -1.11 0.00 0.00 175.55 172.87 3f8y s GLU 183 N -2.05 0.24 0.42 -0.62 2.12 -0.04 -0.66 118.70 118.11 3f8y s GLU 183 Ca 0.22 0.09 0.07 0.00 0.36 0.00 0.00 54.97 55.72 3f8y s GLU 183 Cb -0.11 -0.44 -0.06 0.00 0.26 0.00 0.00 34.13 33.78 3f8y s GLU 183 CO 0.14 -0.14 0.14 -1.59 -0.54 0.00 0.00 175.26 173.27 3f8y s LYS 184 N 1.03 2.16 -0.31 4.30 -2.85 -0.21 -1.03 119.74 122.84 3f8y s LYS 184 Ca -0.10 -1.92 0.04 0.00 -1.00 0.00 0.00 55.97 52.99 3f8y s LYS 184 Cb -0.13 -1.90 0.19 0.00 -2.06 0.00 0.00 37.83 33.93 3f8y s LYS 184 CO -0.02 -0.12 0.67 1.21 0.10 0.00 0.00 175.35 177.20 3f8y s ASN 185 N -3.87 -1.42 0.00 0.03 3.04 -1.25 -2.90 114.94 108.56 3f8y s ASN 185 Ca 0.39 0.01 0.00 0.00 0.04 0.00 0.00 52.86 53.30 3f8y s ASN 185 Cb 0.05 1.88 0.00 0.00 -1.54 0.00 0.00 41.25 41.64 3f8y s ASN 185 CO 0.21 -0.24 0.00 -0.90 -3.04 0.00 0.00 177.10 173.13