#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c3s s HIS 2 N 0.00 0.98 0.13 2.13 3.76 -1.26 -5.14 115.29 115.89 3c3s s HIS 2 Ca 0.00 -0.57 0.05 0.00 -0.15 0.00 0.00 55.06 54.39 3c3s s HIS 2 Cb 0.00 -0.55 -0.04 0.00 1.11 0.00 0.00 32.58 33.10 3c3s s HIS 2 CO 0.00 -0.02 -0.11 -1.12 -0.85 0.00 0.00 174.74 172.64 3c3s s SER 3 N -2.03 1.80 -0.29 1.40 0.01 -1.26 -4.96 113.70 108.38 3c3s s SER 3 Ca -0.01 -0.92 -0.29 0.00 1.31 0.00 0.00 55.95 56.04 3c3s s SER 3 Cb -0.07 -0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.14 3c3s s SER 3 CO 0.01 -0.27 1.36 -0.22 0.41 0.00 0.00 173.24 174.53 3c3s s LEU 4 N -2.86 3.88 0.28 2.44 2.96 -1.26 -5.00 118.68 119.13 3c3s s LEU 4 Ca 0.13 1.28 -0.29 0.00 -0.22 0.00 0.00 54.13 55.02 3c3s s LEU 4 Cb -0.00 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.05 3c3s s LEU 4 CO 0.01 -1.12 1.29 -2.16 -1.32 0.00 0.00 176.35 173.06 3c3s s PRO 5 N 4.27 4.39 0.20 0.98 0.04 -1.26 -4.99 135.00 138.63 3c3s s PRO 5 Ca 0.59 2.13 -0.30 0.00 0.04 0.00 0.00 61.00 63.46 3c3s s PRO 5 Cb -0.18 -3.12 -0.09 0.00 0.04 0.00 0.00 34.50 31.15 3c3s s PRO 5 CO 0.24 -0.18 1.33 -0.51 0.04 0.00 0.00 177.00 177.93 3c3s s ASP 6 N -0.24 6.86 0.72 6.66 -0.00 -1.26 -5.02 116.67 124.39 3c3s s ASP 6 Ca 0.51 2.43 -0.15 0.00 -0.00 0.00 0.00 52.55 55.34 3c3s s ASP 6 Cb -0.38 -2.61 0.03 0.00 -0.00 0.00 0.00 42.92 39.96 3c3s s ASP 6 CO 0.47 -0.56 1.19 -0.76 -0.00 0.00 0.00 175.17 175.51 3c3s s LEU 7 N -0.06 3.32 0.00 1.23 1.43 -1.26 -4.94 118.68 118.40 3c3s s LEU 7 Ca 0.57 2.30 0.27 0.00 -1.03 0.00 0.00 54.13 56.24 3c3s s LEU 7 Cb -0.37 -4.58 0.86 0.00 0.03 0.00 0.00 46.19 42.12 3c3s s LEU 7 CO 0.38 -2.18 1.63 -0.81 0.23 0.00 0.00 176.35 175.61 3c3s n PRO 8 N -2.69 1.13 -1.67 1.29 -0.04 -1.26 -4.90 135.00 126.85 3c3s n PRO 8 Ca 0.13 -0.66 0.00 0.00 -0.04 0.00 0.00 63.50 62.93 3c3s n PRO 8 Cb 0.50 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 3c3s n PRO 8 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3c3s n TYR 9 N -0.36 0.00 -3.98 0.54 4.11 -1.26 -5.10 117.16 111.11 3c3s n TYR 9 Ca 0.15 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.83 3c3s n TYR 9 Cb 0.35 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.65 3c3s n TYR 9 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.86 177.02 3c3s s ASP 10 N -0.67 5.46 0.47 9.48 -4.77 -1.26 -5.03 116.67 120.34 3c3s s ASP 10 Ca 0.00 -0.34 0.24 0.00 -3.30 0.00 0.00 52.55 49.16 3c3s s ASP 10 Cb 0.00 -1.25 1.27 0.00 -1.09 0.00 0.00 42.92 41.85 3c3s s ASP 10 CO 0.00 -0.17 1.84 1.88 0.70 0.00 0.00 175.17 179.42 3c3s h TYR 11 N 1.38 0.34 -0.05 2.11 0.05 -1.94 -1.71 116.97 117.15 3c3s h TYR 11 Ca -0.47 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.32 3c3s h TYR 11 Cb 1.24 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.88 3c3s h TYR 11 CO 0.54 0.06 0.00 0.41 -1.05 0.00 0.00 178.16 178.12 3c3s n GLY 12 N -1.60 0.43 0.20 3.88 0.00 -1.26 -4.17 105.19 102.67 3c3s n GLY 12 Ca 0.21 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.82 3c3s n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c3s h ALA 13 N 4.45 1.06 -0.44 4.61 0.00 -1.67 -2.32 119.26 124.94 3c3s h ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3c3s h ALA 13 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3c3s h ALA 13 CO 0.00 -0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.47 3c3s n LEU 14 N -2.38 3.23 -4.76 0.00 4.77 -1.26 -4.48 117.00 112.12 3c3s n LEU 14 Ca -0.02 -1.87 -0.36 0.00 -0.03 0.00 0.00 56.01 53.74 3c3s n LEU 14 Cb 0.12 -0.29 0.02 0.00 -2.33 0.00 0.00 43.42 40.93 3c3s n LEU 14 CO 0.11 0.78 0.82 -1.61 -1.33 0.00 0.00 177.39 176.16 3c3s s GLU 15 N -1.05 3.22 0.00 3.23 0.41 -0.88 -2.35 118.70 121.28 3c3s s GLU 15 Ca 0.32 1.75 0.27 0.00 -0.41 0.00 0.00 54.97 56.91 3c3s s GLU 15 Cb 0.17 -2.02 0.93 0.00 -1.78 0.00 0.00 34.13 31.43 3c3s s GLU 15 CO 0.23 -0.99 1.69 -0.35 -0.49 0.00 0.00 175.26 175.35 3c3s n PRO 16 N -1.33 0.32 -0.22 0.39 -0.04 -1.26 -4.88 135.00 127.97 3c3s n PRO 16 Ca 0.12 -0.13 0.01 0.00 -0.04 0.00 0.00 63.50 63.46 3c3s n PRO 16 Cb 0.50 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.59 3c3s n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3c3s h HIS 17 N 0.32 0.46 -3.16 0.54 3.86 -1.82 -3.37 115.15 111.98 3c3s h HIS 17 Ca 0.00 0.03 -0.49 0.00 -1.16 0.00 0.00 60.37 58.76 3c3s h HIS 17 Cb 0.45 -0.11 -0.40 0.00 1.06 0.00 0.00 27.41 28.41 3c3s h HIS 17 CO 0.00 0.11 -0.76 0.42 0.86 0.00 0.00 177.93 178.57 3c3s s ILE 18 N -6.07 0.21 0.83 2.45 1.01 -1.03 -4.79 121.20 113.82 3c3s s ILE 18 Ca -0.13 -0.34 -0.12 0.00 0.00 0.00 0.00 60.65 60.07 3c3s s ILE 18 Cb 0.18 -0.79 0.10 0.00 0.01 0.00 0.00 42.46 41.96 3c3s s ILE 18 CO 0.75 -0.23 1.15 0.54 0.00 0.00 0.00 174.94 177.15 3c3s s ASN 19 N 2.00 3.64 0.46 3.58 2.20 -1.26 -3.62 114.94 121.94 3c3s s ASN 19 Ca 0.01 2.15 0.12 0.00 -0.94 0.00 0.00 52.86 54.20 3c3s s ASN 19 Cb -0.16 -2.56 1.04 0.00 -2.00 0.00 0.00 41.25 37.57 3c3s s ASN 19 CO -0.08 -2.62 2.08 0.00 -2.94 0.00 0.00 177.10 173.53 3c3s h ALA 20 N -1.25 1.81 -0.68 3.54 0.00 -1.89 -2.75 119.26 118.04 3c3s h ALA 20 Ca -0.44 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 3c3s h ALA 20 Cb 1.27 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3c3s h ALA 20 CO 0.46 0.16 0.15 0.37 0.00 0.00 0.00 179.25 180.39 3c3s h GLN 21 N 0.23 1.10 -0.19 0.00 4.15 -1.91 -1.78 115.11 116.71 3c3s h GLN 21 Ca 0.06 -0.27 -0.03 0.00 0.77 0.00 0.00 58.65 59.18 3c3s h GLN 21 Cb 0.05 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 3c3s h GLN 21 CO -0.01 0.98 0.01 0.82 -1.93 0.00 0.00 178.83 178.71 3c3s h ILE 22 N 1.03 1.24 -0.76 2.39 2.04 -1.86 -2.39 117.51 119.21 3c3s h ILE 22 Ca 0.21 -0.82 0.01 0.00 1.00 0.00 0.00 64.86 65.26 3c3s h ILE 22 Cb 0.38 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 3c3s h ILE 22 CO 0.00 0.25 0.50 0.24 0.00 0.00 0.00 178.15 179.14 3c3s h MET 23 N 0.10 0.99 -0.14 2.37 2.86 -1.39 0.20 114.93 119.93 3c3s h MET 23 Ca 0.06 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3c3s h MET 23 Cb 0.36 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 3c3s h MET 23 CO 0.01 0.65 -0.11 0.37 1.06 0.00 0.00 176.91 178.89 3c3s h GLN 24 N 1.02 0.32 -0.36 1.72 4.15 -1.25 -2.25 115.11 118.44 3c3s h GLN 24 Ca 0.28 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 3c3s h GLN 24 Cb -0.11 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 3c3s h GLN 24 CO -0.06 0.69 0.07 -0.07 -1.93 0.00 0.00 178.83 177.53 3c3s h LEU 25 N -0.05 0.57 -1.11 -2.39 3.38 -1.21 -0.98 115.31 113.51 3c3s h LEU 25 Ca 0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 3c3s h LEU 25 Cb 0.63 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3c3s h LEU 25 CO 0.03 0.68 0.38 -0.74 0.09 0.00 0.00 178.44 178.87 3c3s h HIS 26 N 0.44 0.98 0.00 1.13 2.76 -1.01 -0.91 115.15 118.55 3c3s h HIS 26 Ca 0.11 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 3c3s h HIS 26 Cb 0.34 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 28.99 3c3s h HIS 26 CO 0.02 0.69 -0.19 1.25 -1.30 0.00 0.00 177.93 178.40 3c3s h HIS 27 N 1.00 0.00 0.00 5.26 -0.00 -1.32 -1.80 115.15 118.29 3c3s h HIS 27 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.62 3c3s h HIS 27 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.46 3c3s h HIS 27 CO 0.01 0.00 0.00 -1.13 -0.00 0.00 0.00 177.93 176.81 3c3s n SER 28 N -4.35 0.45 0.00 3.26 3.41 -0.38 -2.89 113.62 113.12 3c3s n SER 28 Ca -0.03 0.57 -0.02 0.00 -0.26 0.00 0.00 58.87 59.13 3c3s n SER 28 Cb 0.10 -0.68 -0.01 0.00 -0.26 0.00 0.00 64.21 63.37 3c3s n SER 28 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3c3s n LYS 29 N -1.95 0.11 0.03 4.33 4.76 -0.43 -4.53 118.16 120.49 3c3s n LYS 29 Ca 0.05 0.05 -0.13 0.00 -2.87 0.00 0.00 58.31 55.41 3c3s n LYS 29 Cb 0.32 -0.58 -0.09 0.00 -1.84 0.00 0.00 35.03 32.84 3c3s n LYS 29 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3c3s h HIS 30 N -0.22 -0.07 -0.64 2.13 3.86 -1.40 -1.63 115.15 117.18 3c3s h HIS 30 Ca 0.00 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 3c3s h HIS 30 Cb 0.22 0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 3c3s h HIS 30 CO -0.09 0.29 0.06 1.25 0.86 0.00 0.00 177.93 180.29 3c3s h HIS 31 N -0.45 1.18 -0.90 2.45 -0.00 -1.39 -2.72 115.15 113.33 3c3s h HIS 31 Ca -0.01 -0.18 0.01 0.00 -0.00 0.00 0.00 60.37 60.19 3c3s h HIS 31 Cb 0.40 -0.32 -0.04 0.00 -0.00 0.00 0.00 27.41 27.45 3c3s h HIS 31 CO 0.05 1.01 0.59 0.00 -0.00 0.00 0.00 177.93 179.59 3c3s h ALA 32 N 1.02 1.37 -0.65 5.26 0.00 -1.52 -1.86 119.26 122.88 3c3s h ALA 32 Ca 0.19 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3c3s h ALA 32 Cb 0.50 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3c3s h ALA 32 CO 0.02 0.59 0.07 0.00 0.00 0.00 0.00 179.25 179.93 3c3s h ALA 33 N 1.44 0.87 -0.52 0.00 0.00 -1.03 -2.13 119.26 117.89 3c3s h ALA 33 Ca 0.33 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3c3s h ALA 33 Cb -0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3c3s h ALA 33 CO -0.07 0.67 0.04 1.88 0.00 0.00 0.00 179.25 181.76 3c3s h TYR 34 N 1.02 0.96 -0.35 0.00 0.99 -1.12 -1.66 116.97 116.81 3c3s h TYR 34 Ca 0.19 -0.15 -0.04 0.00 2.00 0.00 0.00 58.73 60.73 3c3s h TYR 34 Cb 0.49 -0.26 -0.01 0.00 1.00 0.00 0.00 36.73 37.95 3c3s h TYR 34 CO 0.04 0.88 0.07 0.28 -0.00 0.00 0.00 178.16 179.43 3c3s h VAL 35 N 0.77 1.23 0.20 -2.88 2.07 -1.24 0.11 116.25 116.51 3c3s h VAL 35 Ca 0.15 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3c3s h VAL 35 Cb 0.47 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3c3s h VAL 35 CO 0.02 0.27 -0.10 -1.13 0.02 0.00 0.00 177.57 176.65 3c3s h ASN 36 N 0.41 -0.23 -0.05 0.57 -1.24 -1.32 -1.60 115.58 112.12 3c3s h ASN 36 Ca 0.11 0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.08 3c3s h ASN 36 Cb 0.33 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 3c3s h ASN 36 CO 0.00 -0.16 -0.07 0.78 -1.29 0.00 0.00 177.43 176.69 3c3s h ASN 37 N -0.27 0.27 -0.30 1.15 -0.26 -1.29 -2.31 115.58 112.57 3c3s h ASN 37 Ca -0.03 -0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.65 3c3s h ASN 37 Cb 0.21 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.39 3c3s h ASN 37 CO 0.05 0.38 0.14 0.25 -1.06 0.00 0.00 177.43 177.19 3c3s h LEU 38 N 0.28 0.39 -0.80 1.61 5.85 -0.66 -1.06 115.31 120.92 3c3s h LEU 38 Ca 0.06 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 3c3s h LEU 38 Cb 0.31 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3c3s h LEU 38 CO 0.01 0.42 0.33 0.78 -0.34 0.00 0.00 178.44 179.64 3c3s h ASN 39 N 0.34 1.10 -0.37 1.25 2.35 -0.96 -2.54 115.58 116.77 3c3s h ASN 39 Ca 0.10 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3c3s h ASN 39 Cb 0.13 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 3c3s h ASN 39 CO -0.01 0.97 0.23 0.58 -1.65 0.00 0.00 177.43 177.55 3c3s h VAL 40 N 1.17 1.11 0.00 2.81 2.07 -1.30 -2.37 116.25 119.75 3c3s h VAL 40 Ca 0.27 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3c3s h VAL 40 Cb 0.21 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3c3s h VAL 40 CO -0.02 0.11 -0.06 0.74 0.02 0.00 0.00 177.57 178.36 3c3s h THR 41 N 0.48 0.30 0.00 2.57 2.02 -0.80 -2.42 112.91 115.07 3c3s h THR 41 Ca 0.13 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3c3s h THR 41 Cb -0.01 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3c3s h THR 41 CO -0.03 0.06 -1.24 1.21 0.37 0.00 0.00 175.52 175.89 3c3s n GLU 42 N -3.39 1.15 0.18 6.66 2.13 -0.99 -1.68 120.64 124.69 3c3s n GLU 42 Ca -0.02 -0.07 0.12 0.00 0.66 0.00 0.00 57.16 57.85 3c3s n GLU 42 Cb 0.20 -1.31 0.15 0.00 0.27 0.00 0.00 31.44 30.75 3c3s n GLU 42 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3c3s h GLU 43 N 0.00 0.00 0.12 5.31 4.22 -1.29 -3.12 114.58 119.82 3c3s h GLU 43 Ca 0.00 0.00 -0.18 0.00 0.08 0.00 0.00 59.36 59.26 3c3s h GLU 43 Cb 0.56 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.82 3c3s h GLU 43 CO 0.00 0.00 -0.84 -0.22 -2.18 0.00 0.00 179.01 175.77 3c3s h LYS 44 N 0.00 0.24 -0.27 1.92 3.64 -1.44 -3.32 116.57 117.34 3c3s h LYS 44 Ca 0.00 -0.42 -0.03 0.00 -1.27 0.00 0.00 60.65 58.93 3c3s h LYS 44 Cb 0.97 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 3c3s h LYS 44 CO 0.00 1.20 0.03 -0.92 -2.27 0.00 0.00 179.45 177.49 3c3s h TYR 45 N -0.46 0.40 0.00 1.91 5.03 -1.46 -1.29 116.97 121.10 3c3s h TYR 45 Ca -0.16 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.09 3c3s h TYR 45 Cb 1.58 -0.12 -0.00 0.00 1.55 0.00 0.00 36.73 39.73 3c3s h TYR 45 CO 0.19 0.38 -0.15 0.37 -1.32 0.00 0.00 178.16 177.63 3c3s h GLN 46 N 0.39 0.00 0.00 1.82 5.75 -1.66 0.18 115.11 121.59 3c3s h GLN 46 Ca 0.09 0.00 -0.36 0.00 -0.15 0.00 0.00 58.65 58.23 3c3s h GLN 46 Cb 0.21 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.69 3c3s h GLN 46 CO 0.00 0.15 -2.31 -0.85 -2.65 0.00 0.00 178.83 173.18 3c3s n GLU 47 N -3.44 0.68 -0.17 1.69 0.28 -0.94 -2.59 120.64 116.15 3c3s n GLU 47 Ca -0.01 0.03 0.01 0.00 -0.16 0.00 0.00 57.16 57.04 3c3s n GLU 47 Cb 0.33 -1.55 0.28 0.00 1.43 0.00 0.00 31.44 31.93 3c3s n GLU 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3c3s h ALA 48 N 1.00 1.52 -0.22 -1.84 0.00 -1.12 -2.76 119.26 115.83 3c3s h ALA 48 Ca -0.52 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.17 3c3s h ALA 48 Cb 2.22 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.74 3c3s h ALA 48 CO 0.04 0.45 -0.55 1.25 0.00 0.00 0.00 179.25 180.43 3c3s h LEU 49 N 0.92 0.87 -1.09 0.00 5.85 -0.71 -0.76 115.31 120.39 3c3s h LEU 49 Ca 0.25 -0.57 -0.08 0.00 0.84 0.00 0.00 57.88 58.32 3c3s h LEU 49 Cb -0.10 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.66 3c3s h LEU 49 CO -0.05 1.28 -0.21 0.00 -0.34 0.00 0.00 178.44 179.11 3c3s h ALA 50 N 0.61 1.24 -0.01 1.25 0.00 -1.47 -2.65 119.26 118.24 3c3s h ALA 50 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3c3s h ALA 50 Cb 1.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3c3s h ALA 50 CO 0.12 0.50 -0.23 1.63 0.00 0.00 0.00 179.25 181.26 3c3s n LYS 51 N -4.16 0.68 -1.59 0.00 5.02 -1.05 -4.93 118.16 112.13 3c3s n LYS 51 Ca -0.00 -0.35 -0.09 0.00 -2.02 0.00 0.00 58.31 55.84 3c3s n LYS 51 Cb 0.36 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 3c3s n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3c3s n GLY 52 N 1.34 0.71 3.53 0.72 0.00 -0.98 -4.94 105.19 105.58 3c3s n GLY 52 Ca 0.12 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 3c3s n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3c3s s ASP 53 N -2.79 6.58 0.25 1.61 3.68 -0.33 -4.85 116.67 120.83 3c3s s ASP 53 Ca 0.00 -1.74 -0.04 0.00 2.13 0.00 0.00 52.55 52.90 3c3s s ASP 53 Cb 0.00 -2.52 0.30 0.00 -1.45 0.00 0.00 42.92 39.24 3c3s s ASP 53 CO 0.00 -1.34 1.82 0.58 0.13 0.00 0.00 175.17 176.35 3c3s h VAL 54 N 6.38 1.24 -0.65 1.11 2.07 -1.92 -2.61 116.25 121.86 3c3s h VAL 54 Ca 0.22 -0.79 0.01 0.00 0.82 0.00 0.00 66.70 66.96 3c3s h VAL 54 Cb 1.00 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3c3s h VAL 54 CO 1.35 0.31 0.42 0.74 0.02 0.00 0.00 177.57 180.41 3c3s h THR 55 N 0.99 1.15 -0.29 2.57 2.02 -1.97 -1.94 112.91 115.44 3c3s h THR 55 Ca 0.23 -0.30 -0.11 0.00 0.77 0.00 0.00 66.41 67.00 3c3s h THR 55 Cb 0.23 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3c3s h THR 55 CO -0.02 0.16 -0.29 0.00 0.37 0.00 0.00 175.52 175.74 3c3s h ALA 56 N 1.25 0.95 -0.77 6.16 0.00 -1.90 -1.75 119.26 123.20 3c3s h ALA 56 Ca 0.24 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3c3s h ALA 56 Cb -0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3c3s h ALA 56 CO -0.06 0.61 0.50 1.96 0.00 0.00 0.00 179.25 182.25 3c3s h GLN 57 N 0.52 0.97 0.03 0.00 4.20 -1.08 -2.35 115.11 117.39 3c3s h GLN 57 Ca 0.07 -0.06 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 3c3s h GLN 57 Cb 0.76 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 3c3s h GLN 57 CO 0.06 0.64 -1.00 0.82 -0.67 0.00 0.00 178.83 178.68 3c3s h ILE 58 N 1.00 1.62 0.00 2.54 2.04 -1.15 -2.86 117.51 120.70 3c3s h ILE 58 Ca 0.29 -3.14 0.00 0.00 1.00 0.00 0.00 64.86 63.02 3c3s h ILE 58 Cb -0.05 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 3c3s h ILE 58 CO -0.09 0.90 0.00 0.00 0.00 0.00 0.00 178.15 178.97 3c3s h ALA 59 N 0.95 1.00 0.00 1.87 0.00 -1.19 -3.24 119.26 118.64 3c3s h ALA 59 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3c3s h ALA 59 Cb 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.51 3c3s h ALA 59 CO 0.14 0.00 -0.41 -0.11 0.00 0.00 0.00 179.25 178.87 3c3s n LEU 60 N -2.82 0.44 -0.47 0.00 7.94 -0.90 -4.46 117.00 116.73 3c3s n LEU 60 Ca 0.01 0.16 0.07 0.00 -1.11 0.00 0.00 56.01 55.13 3c3s n LEU 60 Cb 0.28 -0.29 0.04 0.00 0.53 0.00 0.00 43.42 43.98 3c3s n LEU 60 CO 0.25 0.06 0.40 0.00 -1.11 0.00 0.00 177.39 176.99 3c3s n GLN 61 N -1.63 1.17 0.09 1.96 10.64 -1.22 -1.40 117.38 126.98 3c3s n GLN 61 Ca 0.05 -1.14 -0.17 0.00 -1.83 0.00 0.00 57.00 53.91 3c3s n GLN 61 Cb 0.36 -1.24 -0.14 0.00 -0.86 0.00 0.00 30.24 28.36 3c3s n GLN 61 CO 0.00 0.00 0.00 -1.35 -1.83 0.00 0.00 177.06 173.88 3c3s h PRO 62 N 2.32 0.29 -0.22 2.61 0.11 -1.80 -3.18 132.00 132.11 3c3s h PRO 62 Ca 0.00 -0.49 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3c3s h PRO 62 Cb 0.53 0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 3c3s h PRO 62 CO 0.00 1.19 0.12 0.00 -0.21 0.00 0.00 178.00 179.09 3c3s h ALA 63 N 0.49 0.29 -0.24 -0.75 0.00 -1.75 -1.77 119.26 115.53 3c3s h ALA 63 Ca -0.20 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 3c3s h ALA 63 Cb 2.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 3c3s h ALA 63 CO 0.19 -0.17 -0.39 1.25 0.00 0.00 0.00 179.25 180.13 3c3s h LEU 64 N 0.24 0.58 -0.23 0.00 5.85 -1.41 -1.35 115.31 119.00 3c3s h LEU 64 Ca 0.08 -0.25 -0.21 0.00 0.84 0.00 0.00 57.88 58.33 3c3s h LEU 64 Cb 0.09 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 40.96 3c3s h LEU 64 CO -0.01 0.91 -0.77 0.50 -0.34 0.00 0.00 178.44 178.73 3c3s h LYS 65 N 0.46 0.68 -0.04 1.25 3.64 -1.54 0.00 116.57 121.03 3c3s h LYS 65 Ca 0.04 -0.56 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 3c3s h LYS 65 Cb 0.88 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3c3s h LYS 65 CO 0.08 1.18 -0.04 0.35 -2.27 0.00 0.00 179.45 178.74 3c3s h PHE 66 N 0.47 0.12 0.16 1.91 3.04 -1.25 -0.72 116.94 120.66 3c3s h PHE 66 Ca -0.05 -0.04 -0.29 0.00 3.98 0.00 0.00 57.97 61.58 3c3s h PHE 66 Cb 1.39 -0.02 0.01 0.00 2.56 0.00 0.00 35.95 39.88 3c3s h PHE 66 CO 0.07 0.56 -1.30 -0.91 -2.02 0.00 0.00 178.31 174.72 3c3s h ASN 67 N -0.36 0.52 -0.28 0.41 4.21 -1.34 -1.48 115.58 117.26 3c3s h ASN 67 Ca 0.01 -0.56 -0.09 0.00 1.21 0.00 0.00 56.30 56.87 3c3s h ASN 67 Cb 0.54 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.56 3c3s h ASN 67 CO 0.01 1.44 -0.16 1.23 -1.29 0.00 0.00 177.43 178.66 3c3s h GLY 68 N 1.28 0.66 1.42 2.83 0.00 -1.10 -1.92 103.07 106.22 3c3s h GLY 68 Ca -0.16 -0.61 -0.06 0.00 0.00 0.00 0.00 47.33 46.50 3c3s h GLY 68 CO 0.22 0.55 0.05 -1.33 0.00 0.00 0.00 176.54 176.03 3c3s h GLY 69 N 0.34 0.78 1.24 4.60 0.00 -1.20 -1.55 103.07 107.28 3c3s h GLY 69 Ca 0.06 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3c3s h GLY 69 CO 0.05 0.44 0.40 -1.33 0.00 0.00 0.00 176.54 176.10 3c3s h GLY 70 N 0.93 1.07 0.52 4.60 0.00 -0.99 0.43 103.07 109.63 3c3s h GLY 70 Ca 0.15 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3c3s h GLY 70 CO 0.01 0.45 -0.01 0.84 0.00 0.00 0.00 176.54 177.83 3c3s h HIS 71 N 1.01 0.04 0.15 5.60 6.17 -0.77 -2.50 115.15 124.84 3c3s h HIS 71 Ca 0.26 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.33 3c3s h HIS 71 Cb 0.02 -0.01 -0.01 0.00 2.52 0.00 0.00 27.41 29.93 3c3s h HIS 71 CO 0.01 0.52 -0.14 0.82 0.71 0.00 0.00 177.93 179.84 3c3s h ILE 72 N -0.46 0.68 -0.29 6.26 2.04 -1.11 -1.27 117.51 123.37 3c3s h ILE 72 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 3c3s h ILE 72 Cb 0.51 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 3c3s h ILE 72 CO 0.00 0.00 0.07 0.78 0.00 0.00 0.00 178.15 179.00 3c3s h ASN 73 N -0.32 0.04 0.46 1.72 2.35 -0.98 -2.47 115.58 116.39 3c3s h ASN 73 Ca 0.00 0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.67 3c3s h ASN 73 Cb 0.30 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 3c3s h ASN 73 CO -0.03 0.06 -0.54 0.45 -1.65 0.00 0.00 177.43 175.71 3c3s h HIS 74 N 0.18 0.11 -0.50 1.19 3.86 -1.41 -1.66 115.15 116.92 3c3s h HIS 74 Ca 0.13 -0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 59.24 3c3s h HIS 74 Cb 0.12 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 3c3s h HIS 74 CO -0.16 0.62 0.07 0.77 0.86 0.00 0.00 177.93 180.09 3c3s h SER 75 N 0.07 0.75 -0.02 2.45 0.02 -0.92 -2.03 113.55 113.87 3c3s h SER 75 Ca -0.00 -0.15 -0.13 0.00 -0.84 0.00 0.00 61.79 60.66 3c3s h SER 75 Cb 0.98 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 63.34 3c3s h SER 75 CO 0.08 0.77 -0.51 0.40 -1.14 0.00 0.00 176.83 176.43 3c3s h ILE 76 N 0.76 1.43 -0.46 3.27 2.04 -1.33 -3.32 117.51 119.90 3c3s h ILE 76 Ca 0.16 -1.98 0.09 0.00 1.00 0.00 0.00 64.86 64.13 3c3s h ILE 76 Cb 0.36 2.53 -0.09 0.00 -0.74 0.00 0.00 36.82 38.87 3c3s h ILE 76 CO 0.01 0.57 -0.14 0.15 0.00 0.00 0.00 178.15 178.74 3c3s h PHE 77 N -0.13 -0.33 -0.84 1.37 3.57 -1.05 -0.81 116.94 118.73 3c3s h PHE 77 Ca -0.06 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.59 3c3s h PHE 77 Cb 1.21 0.22 -0.08 0.00 2.79 0.00 0.00 35.95 40.09 3c3s h PHE 77 CO 0.14 -0.23 0.48 -1.49 -2.23 0.00 0.00 178.31 174.98 3c3s h TRP 78 N -0.03 0.86 0.00 0.41 -0.00 -1.48 0.08 115.95 115.78 3c3s h TRP 78 Ca 0.22 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 59.12 3c3s h TRP 78 Cb 0.38 -0.26 -0.00 0.00 -0.00 0.00 0.00 29.16 29.27 3c3s h TRP 78 CO -0.42 0.33 -0.12 1.79 -0.00 0.00 0.00 178.44 180.02 3c3s h THR 79 N 0.78 0.28 0.00 1.49 1.35 -1.35 -2.78 112.91 112.68 3c3s h THR 79 Ca 0.41 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 3c3s h THR 79 Cb 0.40 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3c3s h THR 79 CO -0.26 0.12 0.00 0.59 -0.25 0.00 0.00 175.52 175.72 3c3s n ASN 80 N -3.23 0.07 -4.54 5.36 5.03 -0.00 -4.72 115.26 113.22 3c3s n ASN 80 Ca 0.01 0.51 -0.26 0.00 0.87 0.00 0.00 54.58 55.71 3c3s n ASN 80 Cb 0.41 -0.53 -0.10 0.00 -1.02 0.00 0.00 39.78 38.54 3c3s n ASN 80 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3c3s s LEU 81 N -3.14 2.87 -0.21 3.41 1.43 -1.05 0.09 118.68 122.08 3c3s s LEU 81 Ca 0.10 -0.66 -0.27 0.00 -1.03 0.00 0.00 54.13 52.27 3c3s s LEU 81 Cb 0.14 -1.54 0.08 0.00 0.03 0.00 0.00 46.19 44.90 3c3s s LEU 81 CO 0.41 0.10 0.76 -0.55 0.23 0.00 0.00 176.35 177.30 3c3s s SER 82 N -2.90 -0.67 0.51 2.29 0.15 0.94 -4.62 113.70 109.41 3c3s s SER 82 Ca 0.25 1.13 0.33 0.00 0.70 0.00 0.00 55.95 58.35 3c3s s SER 82 Cb -0.08 1.08 1.40 0.00 -1.71 0.00 0.00 66.02 66.71 3c3s s SER 82 CO 0.14 -0.34 1.97 1.55 1.20 0.00 0.00 173.24 177.77 3c3s h PRO 83 N 4.23 0.00 -0.52 5.44 0.13 -1.84 -1.39 132.00 138.04 3c3s h PRO 83 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3c3s h PRO 83 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3c3s h PRO 83 CO 0.16 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.02 3c3s n ASN 84 N -2.94 5.36 -2.10 1.44 3.02 -1.26 -4.97 115.26 113.80 3c3s n ASN 84 Ca 0.00 -2.92 0.00 0.00 -0.03 0.00 0.00 54.58 51.63 3c3s n ASN 84 Cb 0.27 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 3c3s n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3c3s n GLY 85 N 0.44 0.23 1.21 7.41 0.00 -0.52 -5.01 105.19 108.95 3c3s n GLY 85 Ca 0.27 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3c3s n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3c3s n GLY 86 N 5.00 -2.76 7.00 -0.02 0.00 0.30 -4.67 105.19 110.04 3c3s n GLY 86 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.14 3c3s n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3c3s n GLY 87 N -0.18 -0.29 3.35 -0.02 0.00 -1.26 -4.78 105.19 102.02 3c3s n GLY 87 Ca 0.00 -1.05 -0.21 0.00 0.00 0.00 0.00 46.02 44.76 3c3s n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3c3s s GLU 88 N 0.00 1.33 0.82 1.61 2.02 -1.26 -5.02 118.70 118.19 3c3s s GLU 88 Ca 0.00 -1.49 -0.12 0.00 0.02 0.00 0.00 54.97 53.38 3c3s s GLU 88 Cb 0.00 -1.32 0.08 0.00 0.10 0.00 0.00 34.13 33.00 3c3s s GLU 88 CO 0.00 0.25 1.12 -1.25 0.02 0.00 0.00 175.26 175.40 3c3s s PRO 89 N -3.09 1.89 0.03 0.39 0.04 -1.26 -5.03 135.00 127.97 3c3s s PRO 89 Ca 0.19 0.47 -0.02 0.00 0.04 0.00 0.00 61.00 61.67 3c3s s PRO 89 Cb -0.04 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 3c3s s PRO 89 CO 0.07 -1.72 0.02 -1.59 0.04 0.00 0.00 177.00 173.83 3c3s s LYS 90 N -5.25 0.46 0.63 4.56 -2.85 -1.26 -4.62 119.74 111.40 3c3s s LYS 90 Ca 0.61 -0.75 0.00 0.00 -1.00 0.00 0.00 55.97 54.84 3c3s s LYS 90 Cb -0.14 0.17 0.00 0.00 -2.06 0.00 0.00 37.83 35.80 3c3s s LYS 90 CO 0.53 -0.09 0.00 0.41 0.10 0.00 0.00 175.35 176.30 3c3s n GLY 91 N 1.06 0.37 0.22 0.59 0.00 -1.26 -4.30 105.19 101.87 3c3s n GLY 91 Ca -0.21 -1.61 0.08 0.00 0.00 0.00 0.00 46.02 44.28 3c3s n GLY 91 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3c3s h GLU 92 N 0.00 0.00 -0.03 1.61 5.08 -1.99 -2.52 114.58 116.74 3c3s h GLU 92 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3c3s h GLU 92 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3c3s h GLU 92 CO 0.00 0.23 0.00 1.25 -1.00 0.00 0.00 179.01 179.49 3c3s h LEU 93 N 0.00 0.04 -1.00 1.33 6.46 -1.96 0.38 115.31 120.56 3c3s h LEU 93 Ca -0.00 -0.30 -0.07 0.00 -0.12 0.00 0.00 57.88 57.39 3c3s h LEU 93 Cb 0.50 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 3c3s h LEU 93 CO 0.03 0.33 0.01 0.25 -0.62 0.00 0.00 178.44 178.44 3c3s h LEU 94 N -0.25 0.70 -0.40 2.25 5.85 -1.76 0.96 115.31 122.66 3c3s h LEU 94 Ca 0.01 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 3c3s h LEU 94 Cb 0.31 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3c3s h LEU 94 CO 0.00 0.76 0.18 -0.08 -0.34 0.00 0.00 178.44 178.96 3c3s h GLU 95 N 0.69 0.59 -0.38 1.25 4.81 -1.30 -2.54 114.58 117.71 3c3s h GLU 95 Ca 0.14 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 3c3s h GLU 95 Cb 0.41 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3c3s h GLU 95 CO 0.02 0.53 -0.21 0.00 -0.73 0.00 0.00 179.01 178.62 3c3s h ALA 96 N 1.03 0.92 0.77 2.92 0.00 -0.51 -2.56 119.26 121.83 3c3s h ALA 96 Ca 0.14 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3c3s h ALA 96 Cb 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3c3s h ALA 96 CO -0.01 0.62 -0.44 0.82 0.00 0.00 0.00 179.25 180.24 3c3s h ILE 97 N 0.65 0.12 0.00 0.00 2.04 -0.52 -1.29 117.51 118.50 3c3s h ILE 97 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 3c3s h ILE 97 Cb 0.71 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3c3s h ILE 97 CO 0.05 0.00 0.00 0.07 0.00 0.00 0.00 178.15 178.27 3c3s h LYS 98 N -1.12 0.00 0.03 2.37 2.10 -1.52 0.14 116.57 118.57 3c3s h LYS 98 Ca -0.10 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.31 3c3s h LYS 98 Cb 0.89 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.22 3c3s h LYS 98 CO 0.13 0.00 -1.01 -0.09 -2.00 0.00 0.00 179.45 176.48 3c3s h ARG 99 N 0.00 0.39 0.00 0.07 2.43 -1.07 -0.90 114.38 115.30 3c3s h ARG 99 Ca 0.00 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3c3s h ARG 99 Cb 0.37 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3c3s h ARG 99 CO 0.00 1.13 -1.77 -0.25 -1.51 0.00 0.00 179.97 177.57 3c3s n ASP 100 N -3.71 0.20 0.00 -3.80 8.00 -0.52 -4.53 116.55 112.20 3c3s n ASP 100 Ca -0.07 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.33 3c3s n ASP 100 Cb 0.87 1.72 0.00 0.00 -0.02 0.00 0.00 41.12 43.69 3c3s n ASP 100 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3c3s n PHE 101 N -2.19 0.00 0.00 1.24 3.01 0.46 -5.04 117.46 114.94 3c3s n PHE 101 Ca -0.03 -0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.41 3c3s n PHE 101 Cb 0.54 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 3c3s n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3c3s n GLY 102 N -0.03 2.44 3.64 1.37 0.00 -0.34 -4.33 105.19 107.94 3c3s n GLY 102 Ca 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 3c3s n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3c3s s SER 103 N 0.00 0.13 0.31 1.61 1.04 -1.26 -4.56 113.70 110.98 3c3s s SER 103 Ca 0.00 -1.05 0.04 0.00 0.48 0.00 0.00 55.95 55.42 3c3s s SER 103 Cb 0.00 0.67 0.52 0.00 0.10 0.00 0.00 66.02 67.31 3c3s s SER 103 CO 0.00 -1.29 1.80 0.15 0.98 0.00 0.00 173.24 174.88 3c3s h PHE 104 N 2.15 0.50 -0.27 5.02 3.57 -1.91 -2.13 116.94 123.87 3c3s h PHE 104 Ca -0.27 -0.08 -0.11 0.00 3.53 0.00 0.00 57.97 61.04 3c3s h PHE 104 Cb 1.25 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.85 3c3s h PHE 104 CO 0.80 0.60 -0.28 -0.44 -2.23 0.00 0.00 178.31 176.76 3c3s h ASP 105 N 0.42 0.71 -0.42 0.41 5.19 -1.96 -0.37 116.42 120.41 3c3s h ASP 105 Ca 0.08 -0.48 -0.03 0.00 -0.62 0.00 0.00 57.03 55.98 3c3s h ASP 105 Cb 0.52 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 3c3s h ASP 105 CO 0.03 1.04 0.15 0.11 -3.12 0.00 0.00 179.24 177.46 3c3s h LYS 106 N 0.40 0.64 0.28 3.56 1.57 -1.80 0.17 116.57 121.39 3c3s h LYS 106 Ca 0.04 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3c3s h LYS 106 Cb 0.84 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 3c3s h LYS 106 CO 0.07 0.61 -0.29 0.35 -0.57 0.00 0.00 179.45 179.62 3c3s h PHE 107 N 0.53 -0.78 -1.00 -1.35 3.57 -1.34 0.12 116.94 116.69 3c3s h PHE 107 Ca 0.14 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.78 3c3s h PHE 107 Cb 0.22 0.31 -0.09 0.00 2.79 0.00 0.00 35.95 39.18 3c3s h PHE 107 CO 0.01 -0.42 0.63 -0.22 -2.23 0.00 0.00 178.31 176.07 3c3s h LYS 108 N -0.61 0.90 -0.38 1.11 3.64 -0.86 0.82 116.57 121.19 3c3s h LYS 108 Ca -0.01 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 3c3s h LYS 108 Cb 0.56 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3c3s h LYS 108 CO -0.07 0.60 -0.03 1.49 -2.27 0.00 0.00 179.45 179.17 3c3s h GLU 109 N 0.93 0.69 -0.17 1.90 4.81 0.08 -1.75 114.58 121.08 3c3s h GLU 109 Ca 0.52 -0.24 -0.17 0.00 -0.13 0.00 0.00 59.36 59.34 3c3s h GLU 109 Cb 0.60 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 3c3s h GLU 109 CO -0.29 0.81 -0.60 0.87 -0.73 0.00 0.00 179.01 179.07 3c3s h LYS 110 N 0.51 0.56 -0.39 1.92 1.57 0.18 -1.21 116.57 119.70 3c3s h LYS 110 Ca 0.10 -0.38 -0.14 0.00 -1.87 0.00 0.00 60.65 58.36 3c3s h LYS 110 Cb 0.52 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 3c3s h LYS 110 CO 0.03 0.99 -0.32 1.25 -0.57 0.00 0.00 179.45 180.83 3c3s h LEU 111 N 0.42 0.91 -0.70 2.94 5.85 -0.86 -0.86 115.31 123.01 3c3s h LEU 111 Ca -0.00 -0.38 -0.08 0.00 0.84 0.00 0.00 57.88 58.25 3c3s h LEU 111 Cb 1.16 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 3c3s h LEU 111 CO 0.11 1.15 0.10 0.74 -0.34 0.00 0.00 178.44 180.21 3c3s h THR 112 N 0.73 1.26 -0.44 1.05 2.02 -1.24 -1.74 112.91 114.56 3c3s h THR 112 Ca 0.08 -1.04 -0.10 0.00 0.77 0.00 0.00 66.41 66.12 3c3s h THR 112 Cb 0.88 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 3c3s h THR 112 CO 0.08 0.39 -0.11 0.00 0.37 0.00 0.00 175.52 176.25 3c3s h ALA 113 N 1.07 0.98 -0.34 6.16 0.00 -1.00 -1.43 119.26 124.70 3c3s h ALA 113 Ca 0.20 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 3c3s h ALA 113 Cb 0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3c3s h ALA 113 CO 0.01 0.61 -0.33 0.00 0.00 0.00 0.00 179.25 179.54 3c3s h ALA 114 N 1.16 0.79 -0.11 0.00 0.00 -0.86 -2.27 119.26 117.97 3c3s h ALA 114 Ca 0.12 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 3c3s h ALA 114 Cb 0.60 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.27 3c3s h ALA 114 CO 0.04 0.65 -0.48 0.77 0.00 0.00 0.00 179.25 180.23 3c3s h SER 115 N 0.63 0.61 0.51 0.00 0.02 -1.16 -3.21 113.55 110.94 3c3s h SER 115 Ca 0.07 -0.64 -0.08 0.00 -0.84 0.00 0.00 61.79 60.30 3c3s h SER 115 Cb 0.86 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 3c3s h SER 115 CO 0.07 1.14 -0.38 0.58 -1.14 0.00 0.00 176.83 177.11 3c3s h VAL 116 N 0.11 1.13 0.00 2.27 2.07 -1.31 -3.12 116.25 117.41 3c3s h VAL 116 Ca -0.03 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.12 3c3s h VAL 116 Cb 1.12 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 3c3s h VAL 116 CO 0.10 0.37 0.00 0.61 0.02 0.00 0.00 177.57 178.67 3c3s n GLY 117 N -0.24 -1.58 3.69 2.17 0.00 -0.85 -4.87 105.19 103.51 3c3s n GLY 117 Ca -0.01 -0.06 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 3c3s n GLY 117 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3c3s n VAL 118 N -1.89 0.24 -2.83 1.61 0.31 -1.18 -4.92 118.33 109.68 3c3s n VAL 118 Ca 0.06 -0.04 -0.43 0.00 -0.01 0.00 0.00 64.34 63.92 3c3s n VAL 118 Cb 0.37 -1.93 -0.04 0.00 -0.91 0.00 0.00 33.84 31.33 3c3s n VAL 118 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3c3s s GLN 119 N 2.20 3.49 1.11 5.55 -0.21 -1.26 -4.82 119.66 125.72 3c3s s GLN 119 Ca 0.81 0.08 0.00 0.00 0.02 0.00 0.00 55.36 56.28 3c3s s GLN 119 Cb -0.56 -3.95 0.00 0.00 1.00 0.00 0.00 33.01 29.50 3c3s s GLN 119 CO 0.38 -1.27 0.00 0.41 -2.12 0.00 0.00 175.29 172.70 3c3s n GLY 120 N 4.97 -0.32 3.81 3.09 0.00 -1.26 -4.89 105.19 110.59 3c3s n GLY 120 Ca 0.05 -1.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 3c3s n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3c3s s SER 121 N -4.00 7.09 0.00 1.61 0.01 -1.26 -4.89 113.70 112.26 3c3s s SER 121 Ca 0.00 1.45 0.00 0.00 1.31 0.00 0.00 55.95 58.71 3c3s s SER 121 Cb 0.00 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.80 3c3s s SER 121 CO 0.00 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.29 3c3s n GLY 122 N 0.75 -1.23 3.08 3.44 0.00 -1.26 -0.79 105.19 109.19 3c3s n GLY 122 Ca -0.02 -0.87 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 3c3s n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3c3s s TRP 123 N -2.77 0.82 -0.10 1.61 0.52 0.19 -1.25 118.94 117.95 3c3s s TRP 123 Ca 0.00 -0.44 -0.00 0.00 0.02 0.00 0.00 56.10 55.67 3c3s s TRP 123 Cb 0.00 -0.48 -0.03 0.00 -1.15 0.00 0.00 33.47 31.81 3c3s s TRP 123 CO 0.00 -0.04 -0.08 0.20 0.02 0.00 0.00 176.95 177.05 3c3s s GLY 124 N -1.45 1.65 -0.07 0.98 0.00 -0.58 -0.72 107.32 107.13 3c3s s GLY 124 Ca -0.06 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 43.79 3c3s s GLY 124 CO 0.01 -0.40 -0.09 -0.98 0.00 0.00 0.00 173.10 171.64 3c3s s TRP 125 N -0.20 1.23 -0.20 1.90 0.52 0.25 -1.09 118.94 121.35 3c3s s TRP 125 Ca 0.02 -0.46 -0.23 0.00 0.02 0.00 0.00 56.10 55.45 3c3s s TRP 125 Cb -0.13 -0.97 -0.02 0.00 -1.15 0.00 0.00 33.47 31.21 3c3s s TRP 125 CO 0.03 -0.29 0.75 -1.17 0.02 0.00 0.00 176.95 176.29 3c3s s LEU 126 N 0.93 4.14 0.29 2.99 2.96 -0.88 0.23 118.68 129.33 3c3s s LEU 126 Ca -0.10 1.01 0.05 0.00 -0.22 0.00 0.00 54.13 54.86 3c3s s LEU 126 Cb -0.15 -3.09 -0.06 0.00 0.50 0.00 0.00 46.19 43.39 3c3s s LEU 126 CO 0.01 -0.37 0.01 -0.83 -1.32 0.00 0.00 176.35 173.84 3c3s s GLY 127 N 1.22 1.87 -0.13 7.98 0.00 0.32 -1.73 107.32 116.85 3c3s s GLY 127 Ca 0.34 -1.94 -0.02 0.00 0.00 0.00 0.00 44.72 43.10 3c3s s GLY 127 CO 0.11 -1.79 -0.09 -0.12 0.00 0.00 0.00 173.10 171.21 3c3s s PHE 128 N -3.23 2.91 -0.66 1.90 5.36 0.62 -0.07 117.98 124.81 3c3s s PHE 128 Ca 0.32 -0.43 -0.17 0.00 -0.96 0.00 0.00 56.93 55.69 3c3s s PHE 128 Cb 0.06 -1.88 0.14 0.00 -0.34 0.00 0.00 43.02 41.00 3c3s s PHE 128 CO 0.13 -0.08 0.71 1.21 -1.46 0.00 0.00 175.22 175.72 3c3s s ASN 129 N 0.24 6.34 0.19 6.13 3.84 -0.06 -1.08 114.94 130.54 3c3s s ASN 129 Ca -0.06 -1.83 -0.12 0.00 0.21 0.00 0.00 52.86 51.07 3c3s s ASN 129 Cb -0.15 -2.27 0.21 0.00 -0.55 0.00 0.00 41.25 38.49 3c3s s ASN 129 CO 0.04 -0.94 1.73 0.11 -2.79 0.00 0.00 177.10 175.25 3c3s h LYS 130 N 8.81 0.31 0.61 0.43 1.79 -1.87 1.20 116.57 127.84 3c3s h LYS 130 Ca -0.17 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.25 3c3s h LYS 130 Cb 1.07 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.64 3c3s h LYS 130 CO 1.02 0.21 -0.44 1.49 -1.08 0.00 0.00 179.45 180.64 3c3s h GLU 131 N 0.32 -0.97 0.00 3.15 4.81 -1.96 -3.04 114.58 116.89 3c3s h GLU 131 Ca 0.26 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3c3s h GLU 131 Cb 0.32 0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3c3s h GLU 131 CO -0.29 -0.65 0.00 0.54 -0.73 0.00 0.00 179.01 177.88 3c3s n ARG 132 N -5.18 0.26 -2.43 1.92 5.12 -1.16 -4.96 116.66 110.22 3c3s n ARG 132 Ca -0.12 0.25 -0.13 0.00 -1.93 0.00 0.00 57.85 55.92 3c3s n ARG 132 Cb 0.43 -1.82 0.01 0.00 -1.16 0.00 0.00 32.46 29.92 3c3s n ARG 132 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3c3s n GLY 133 N 1.10 -0.10 3.17 -0.13 0.00 0.41 -5.04 105.19 104.60 3c3s n GLY 133 Ca 0.05 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 3c3s n GLY 133 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3c3s s HIS 134 N -2.74 0.90 0.56 1.61 -3.43 -1.13 -4.94 115.29 106.13 3c3s s HIS 134 Ca 0.08 -1.10 -0.17 0.00 -0.80 0.00 0.00 55.06 53.06 3c3s s HIS 134 Cb -0.03 -0.53 -0.05 0.00 -1.43 0.00 0.00 32.58 30.54 3c3s s HIS 134 CO 0.09 -0.35 1.07 -0.51 -2.00 0.00 0.00 174.74 173.04 3c3s s LEU 135 N -3.06 3.62 -0.16 5.38 1.43 -1.26 -0.89 118.68 123.75 3c3s s LEU 135 Ca 0.19 1.93 -0.16 0.00 -1.03 0.00 0.00 54.13 55.06 3c3s s LEU 135 Cb 0.07 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.78 3c3s s LEU 135 CO -0.01 -1.12 0.45 -1.58 0.23 0.00 0.00 176.35 174.32 3c3s s GLN 136 N -3.72 0.54 -0.18 1.70 0.74 0.90 -4.86 119.66 114.79 3c3s s GLN 136 Ca 0.66 0.57 -0.09 0.00 0.05 0.00 0.00 55.36 56.56 3c3s s GLN 136 Cb -0.18 0.26 -0.05 0.00 1.10 0.00 0.00 33.01 34.15 3c3s s GLN 136 CO 0.31 -0.07 0.11 0.42 -0.55 0.00 0.00 175.29 175.50 3c3s s ILE 137 N 0.13 5.21 0.05 -2.34 1.01 -1.26 0.12 121.20 124.12 3c3s s ILE 137 Ca -0.01 0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.72 3c3s s ILE 137 Cb -0.03 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 3c3s s ILE 137 CO 0.01 0.48 0.03 0.00 0.00 0.00 0.00 174.94 175.46 3c3s s ALA 138 N 0.10 0.21 -0.04 9.38 0.00 0.13 -4.98 121.76 126.56 3c3s s ALA 138 Ca 0.08 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.21 3c3s s ALA 138 Cb -0.12 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 3c3s s ALA 138 CO -0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 175.76 175.23 3c3s s ALA 139 N -3.27 1.55 -0.00 0.00 0.00 -1.26 0.86 121.76 119.64 3c3s s ALA 139 Ca 0.01 -0.73 0.07 0.00 0.00 0.00 0.00 51.96 51.32 3c3s s ALA 139 Cb 0.03 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 3c3s s ALA 139 CO -0.08 0.30 -0.23 0.00 0.00 0.00 0.00 175.76 175.76 3c3s s PRO 141 N -0.86 4.69 3.04 0.00 0.04 -1.26 -0.63 135.00 140.02 3c3s s PRO 141 Ca 0.11 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.81 3c3s s PRO 141 Cb -0.10 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.27 3c3s s PRO 141 CO 0.01 0.30 0.00 0.09 0.04 0.00 0.00 177.00 177.44 3c3s n ASN 142 N 1.21 0.00 -1.15 6.66 3.02 0.03 -2.12 115.26 122.90 3c3s n ASN 142 Ca -0.01 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.62 3c3s n ASN 142 Cb 0.46 0.00 0.28 0.00 -0.61 0.00 0.00 39.78 39.91 3c3s n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3c3s n GLN 143 N 14.00 3.40 -1.59 3.52 1.13 -1.26 -4.25 117.38 132.34 3c3s n GLN 143 Ca 0.00 -2.75 -0.49 0.00 -1.94 0.00 0.00 57.00 51.82 3c3s n GLN 143 Cb 0.00 -1.81 -0.05 0.00 0.11 0.00 0.00 30.24 28.49 3c3s n GLN 143 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3c3s n ASP 144 N 0.23 2.92 -4.77 1.08 10.43 -0.90 -3.79 116.55 121.75 3c3s n ASP 144 Ca 0.21 0.63 -0.36 0.00 2.57 0.00 0.00 54.79 57.84 3c3s n ASP 144 Cb 0.85 -1.36 -0.01 0.00 1.84 0.00 0.00 41.12 42.44 3c3s n ASP 144 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 3c3s s PRO 145 N 5.26 3.65 0.02 -0.24 0.04 -1.26 -4.76 135.00 137.71 3c3s s PRO 145 Ca 1.00 1.72 -0.25 0.00 0.04 0.00 0.00 61.00 63.51 3c3s s PRO 145 Cb -0.69 -2.29 -0.14 0.00 0.04 0.00 0.00 34.50 31.42 3c3s s PRO 145 CO 0.48 -0.63 1.12 1.25 0.04 0.00 0.00 177.00 179.26 3c3s h LEU 146 N 1.81 -0.76 -0.08 -3.56 5.85 -1.92 -2.86 115.31 113.79 3c3s h LEU 146 Ca -0.50 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 3c3s h LEU 146 Cb 1.25 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.47 3c3s h LEU 146 CO 0.59 -0.43 0.04 -0.61 -0.34 0.00 0.00 178.44 177.69 3c3s h GLN 147 N -1.13 0.11 0.00 1.25 4.15 -1.88 0.20 115.11 117.80 3c3s h GLN 147 Ca -0.09 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 3c3s h GLN 147 Cb 0.69 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.36 3c3s h GLN 147 CO 0.15 0.15 -0.02 0.78 -1.93 0.00 0.00 178.83 177.97 3c3s h GLY 148 N 0.03 0.00 0.00 2.39 0.00 -1.87 0.18 103.07 103.80 3c3s h GLY 148 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3c3s h GLY 148 CO -0.00 0.00 -0.87 -1.30 0.00 0.00 0.00 176.54 174.37 3c3s n THR 149 N -3.66 0.00 0.00 4.70 -2.24 -1.08 -4.77 114.28 107.23 3c3s n THR 149 Ca -0.03 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3c3s n THR 149 Cb 0.10 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 3c3s n THR 149 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3c3s n THR 150 N -1.48 0.00 0.00 4.28 -1.04 0.68 -5.02 114.28 111.69 3c3s n THR 150 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3c3s n THR 150 Cb 0.17 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.34 3c3s n THR 150 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3c3s n GLY 151 N 2.55 3.26 3.77 3.41 0.00 0.64 -4.99 105.19 113.82 3c3s n GLY 151 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3c3s n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3c3s s LEU 152 N 0.00 3.92 -0.22 0.99 1.43 -1.26 -4.82 118.68 118.71 3c3s s LEU 152 Ca 0.00 2.25 -0.22 0.00 -1.03 0.00 0.00 54.13 55.13 3c3s s LEU 152 Cb 0.00 -4.37 -0.02 0.00 0.03 0.00 0.00 46.19 41.83 3c3s s LEU 152 CO 0.00 -1.02 0.69 -0.63 0.23 0.00 0.00 176.35 175.62 3c3s s ILE 153 N -1.63 4.96 0.13 -0.59 -1.09 -0.24 -3.08 121.20 119.66 3c3s s ILE 153 Ca 0.67 1.29 -0.31 0.00 -2.23 0.00 0.00 60.65 60.07 3c3s s ILE 153 Cb -0.27 -3.99 -0.08 0.00 -1.58 0.00 0.00 42.46 36.54 3c3s s ILE 153 CO 0.32 0.04 1.34 -2.16 -1.23 0.00 0.00 174.94 173.25 3c3s s PRO 154 N 2.29 4.35 -0.02 2.79 0.04 -1.26 -0.27 135.00 142.91 3c3s s PRO 154 Ca 0.30 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.38 3c3s s PRO 154 Cb -0.16 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.12 3c3s s PRO 154 CO 0.09 -0.36 -0.01 1.28 0.04 0.00 0.00 177.00 178.04 3c3s n LEU 155 N 3.58 2.02 -3.69 -3.56 4.77 -0.71 -4.93 117.00 114.48 3c3s n LEU 155 Ca 0.10 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 3c3s n LEU 155 Cb 0.43 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.37 3c3s n LEU 155 CO 0.58 0.38 0.08 -0.22 -1.33 0.00 0.00 177.39 176.88 3c3s s LEU 156 N -4.82 -0.11 -0.03 2.23 2.96 -1.10 -4.52 118.68 113.29 3c3s s LEU 156 Ca -0.03 0.93 0.06 0.00 -0.22 0.00 0.00 54.13 54.88 3c3s s LEU 156 Cb 0.01 1.43 -0.01 0.00 0.50 0.00 0.00 46.19 48.12 3c3s s LEU 156 CO 0.06 -0.19 -0.21 -0.83 -1.32 0.00 0.00 176.35 173.86 3c3s s GLY 157 N 1.31 1.06 -0.28 7.98 0.00 -1.26 -2.07 107.32 114.05 3c3s s GLY 157 Ca -0.09 -0.87 -0.03 0.00 0.00 0.00 0.00 44.72 43.73 3c3s s GLY 157 CO -0.12 -0.61 -0.01 -0.42 0.00 0.00 0.00 173.10 171.94 3c3s s ILE 158 N -0.26 3.10 -0.33 0.90 -1.09 -0.25 -4.88 121.20 118.40 3c3s s ILE 158 Ca 0.02 -1.17 -0.29 0.00 -2.23 0.00 0.00 60.65 56.97 3c3s s ILE 158 Cb -0.10 -2.69 0.02 0.00 -1.58 0.00 0.00 42.46 38.10 3c3s s ILE 158 CO 0.01 0.01 1.11 -0.62 -1.23 0.00 0.00 174.94 174.22 3c3s s ASP 159 N 1.31 6.88 -0.32 3.58 3.68 -1.26 -1.52 116.67 129.02 3c3s s ASP 159 Ca -0.02 1.04 0.09 0.00 2.13 0.00 0.00 52.55 55.78 3c3s s ASP 159 Cb -0.18 -2.54 0.56 0.00 -1.45 0.00 0.00 42.92 39.30 3c3s s ASP 159 CO -0.02 -0.93 1.57 1.33 0.13 0.00 0.00 175.17 177.25 3c3s n VAL 160 N 5.98 2.69 -2.64 1.11 0.24 -0.38 -4.83 118.33 120.50 3c3s n VAL 160 Ca 0.12 -2.45 -0.38 0.00 -2.04 0.00 0.00 64.34 59.60 3c3s n VAL 160 Cb 0.47 -0.35 -0.05 0.00 -1.47 0.00 0.00 33.84 32.44 3c3s n VAL 160 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3c3s s TRP 161 N -3.21 3.59 0.51 6.34 0.52 -1.25 -4.28 118.94 121.16 3c3s s TRP 161 Ca 0.47 1.75 0.26 0.00 0.02 0.00 0.00 56.10 58.60 3c3s s TRP 161 Cb 0.42 -3.07 1.37 0.00 -1.15 0.00 0.00 33.47 31.03 3c3s s TRP 161 CO 0.04 -0.16 1.93 0.00 0.02 0.00 0.00 176.95 178.78 3c3s h ALA 162 N 3.27 2.57 0.00 0.98 0.00 -1.93 -0.57 119.26 123.59 3c3s h ALA 162 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3c3s h ALA 162 Cb 1.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3c3s h ALA 162 CO 0.65 -0.78 0.00 -2.39 0.00 0.00 0.00 179.25 176.73 3c3s n HIS 163 N -4.36 0.00 0.98 0.00 1.44 -1.26 -0.47 115.22 111.54 3c3s n HIS 163 Ca 0.15 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.96 3c3s n HIS 163 Cb 0.75 -0.13 -0.12 0.00 0.12 0.00 0.00 29.99 30.61 3c3s n HIS 163 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3c3s n ALA 164 N -1.13 4.72 0.00 1.59 0.00 -0.22 -4.73 120.51 120.74 3c3s n ALA 164 Ca 0.09 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3c3s n ALA 164 Cb 0.08 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3c3s n ALA 164 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3c3s n TYR 165 N -1.52 0.00 -0.24 0.00 4.11 -0.95 -5.00 117.16 113.56 3c3s n TYR 165 Ca 0.04 0.00 0.04 0.00 -0.00 0.00 0.00 57.90 57.98 3c3s n TYR 165 Cb 0.34 0.00 0.17 0.00 -0.00 0.00 0.00 39.34 39.85 3c3s n TYR 165 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 3c3s h TYR 166 N 0.00 0.39 -0.17 -3.48 3.20 -0.99 0.29 116.97 116.21 3c3s h TYR 166 Ca 0.00 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.96 3c3s h TYR 166 Cb 0.00 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 3c3s h TYR 166 CO 0.00 0.00 0.12 -0.07 -1.64 0.00 0.00 178.16 176.58 3c3s h LEU 167 N 0.36 0.00 0.01 2.82 3.38 -1.90 0.19 115.31 120.16 3c3s h LEU 167 Ca 0.39 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.95 3c3s h LEU 167 Cb 0.62 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 3c3s h LEU 167 CO -0.43 0.00 -2.33 1.67 0.09 0.00 0.00 178.44 177.44 3c3s n GLN 168 N -4.48 0.61 -0.10 1.13 7.27 -0.60 -4.66 117.38 116.56 3c3s n GLN 168 Ca 0.01 0.28 0.09 0.00 0.07 0.00 0.00 57.00 57.45 3c3s n GLN 168 Cb 0.26 -1.55 0.13 0.00 2.41 0.00 0.00 30.24 31.49 3c3s n GLN 168 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3c3s n TYR 169 N -4.01 0.26 -2.80 3.69 4.02 0.93 -5.07 117.16 114.19 3c3s n TYR 169 Ca -0.48 -0.18 0.00 0.00 -0.01 0.00 0.00 57.90 57.22 3c3s n TYR 169 Cb 0.89 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.21 3c3s n TYR 169 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3c3s n LYS 170 N 1.00 0.00 0.00 -0.72 4.01 0.66 -1.59 118.16 121.52 3c3s n LYS 170 Ca 0.13 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 58.03 3c3s n LYS 170 Cb 0.46 0.00 0.52 0.00 -0.51 0.00 0.00 35.03 35.50 3c3s n LYS 170 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 3c3s n ASN 171 N 0.35 0.00 -4.24 4.39 6.94 -1.26 -4.42 115.26 117.01 3c3s n ASN 171 Ca 0.00 -0.13 -0.44 0.00 -0.02 0.00 0.00 54.58 53.99 3c3s n ASN 171 Cb 0.00 -0.22 0.00 0.00 -2.36 0.00 0.00 39.78 37.20 3c3s n ASN 171 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 3c3s n VAL 172 N -1.22 4.37 -0.29 3.53 0.31 -0.62 -4.80 118.33 119.60 3c3s n VAL 172 Ca 0.11 -4.74 0.09 0.00 -0.01 0.00 0.00 64.34 59.79 3c3s n VAL 172 Cb 0.14 -2.42 0.32 0.00 -0.91 0.00 0.00 33.84 30.96 3c3s n VAL 172 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3c3s h ARG 173 N 6.56 0.81 -0.89 5.55 3.08 -1.84 -1.34 114.38 126.31 3c3s h ARG 173 Ca 0.33 -0.05 0.15 0.00 0.07 0.00 0.00 59.98 60.48 3c3s h ARG 173 Cb 0.78 -0.18 -0.07 0.00 0.08 0.00 0.00 29.97 30.58 3c3s h ARG 173 CO 1.35 0.53 0.58 -1.35 -1.07 0.00 0.00 179.97 180.01 3c3s h PRO 174 N 0.83 0.65 -0.26 0.04 0.11 -1.97 0.10 132.00 131.50 3c3s h PRO 174 Ca 0.44 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.34 3c3s h PRO 174 Cb 0.53 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 3c3s h PRO 174 CO -0.20 0.43 -0.52 -0.44 -0.21 0.00 0.00 178.00 177.06 3c3s h ASP 175 N 0.67 0.84 -0.18 -2.05 3.32 -1.64 -1.40 116.42 115.98 3c3s h ASP 175 Ca 0.45 -0.44 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3c3s h ASP 175 Cb 0.76 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3c3s h ASP 175 CO -0.21 1.20 0.10 0.22 -1.72 0.00 0.00 179.24 178.83 3c3s h TYR 176 N 0.59 0.24 -0.80 4.55 -0.00 -0.98 -1.39 116.97 119.17 3c3s h TYR 176 Ca 0.02 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.70 3c3s h TYR 176 Cb 1.10 -0.08 -0.04 0.00 -0.00 0.00 0.00 36.73 37.72 3c3s h TYR 176 CO 0.06 0.22 0.33 -0.07 -0.00 0.00 0.00 178.16 178.71 3c3s h LEU 177 N 0.19 1.10 -0.89 2.82 -0.00 -0.82 -1.78 115.31 115.93 3c3s h LEU 177 Ca 0.06 -0.16 -0.09 0.00 -0.00 0.00 0.00 57.88 57.69 3c3s h LEU 177 Cb 0.06 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.42 3c3s h LEU 177 CO -0.01 0.96 -0.11 0.50 -0.00 0.00 0.00 178.44 179.78 3c3s h LYS 178 N 1.17 0.70 -0.12 1.13 3.64 -1.05 -3.16 116.57 118.88 3c3s h LYS 178 Ca 0.27 -0.22 -0.17 0.00 -1.27 0.00 0.00 60.65 59.26 3c3s h LYS 178 Cb 0.20 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3c3s h LYS 178 CO -0.02 0.79 -0.58 0.00 -2.27 0.00 0.00 179.45 177.37 3c3s h ALA 179 N 1.24 0.23 -0.15 5.00 0.00 -1.02 -3.33 119.26 121.23 3c3s h ALA 179 Ca 0.11 -0.53 0.04 0.00 0.00 0.00 0.00 54.91 54.53 3c3s h ALA 179 Cb 0.56 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3c3s h ALA 179 CO 0.03 0.47 0.16 0.97 0.00 0.00 0.00 179.25 180.88 3c3s h ILE 180 N 0.24 0.52 -0.17 0.00 2.10 -1.29 -1.89 117.51 117.02 3c3s h ILE 180 Ca -0.04 0.00 0.05 0.00 1.08 0.00 0.00 64.86 65.95 3c3s h ILE 180 Cb 1.22 0.87 -0.01 0.00 -1.09 0.00 0.00 36.82 37.82 3c3s h ILE 180 CO 0.12 0.00 0.16 -0.50 -1.08 0.00 0.00 178.15 176.85 3c3s h TRP 181 N 0.00 0.00 0.00 2.19 4.06 -1.67 -1.33 115.95 119.20 3c3s h TRP 181 Ca 0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.02 3c3s h TRP 181 Cb 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.55 3c3s h TRP 181 CO 0.00 0.00 0.00 0.09 -3.56 0.00 0.00 178.44 174.97 3c3s n ASN 182 N -4.05 0.00 -0.10 -3.49 3.02 -0.71 -3.62 115.26 106.31 3c3s n ASN 182 Ca 0.01 0.22 0.02 0.00 -0.03 0.00 0.00 54.58 54.80 3c3s n ASN 182 Cb 0.28 -0.39 0.03 0.00 -0.61 0.00 0.00 39.78 39.09 3c3s n ASN 182 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3c3s n VAL 183 N -1.39 0.78 -2.39 2.41 0.24 -0.51 -3.09 118.33 114.38 3c3s n VAL 183 Ca 0.09 -0.87 -0.41 0.00 -2.04 0.00 0.00 64.34 61.11 3c3s n VAL 183 Cb 0.24 0.46 -0.03 0.00 -1.47 0.00 0.00 33.84 33.04 3c3s n VAL 183 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3c3s s ILE 184 N -1.00 3.66 -0.92 1.34 1.01 -1.16 -0.04 121.20 124.09 3c3s s ILE 184 Ca 0.07 1.36 -0.18 0.00 0.00 0.00 0.00 60.65 61.91 3c3s s ILE 184 Cb 0.06 -3.87 0.14 0.00 0.01 0.00 0.00 42.46 38.81 3c3s s ILE 184 CO 0.01 0.20 1.08 0.21 0.00 0.00 0.00 174.94 176.44 3c3s s ASN 185 N 0.24 6.66 0.54 3.58 3.84 0.11 -0.54 114.94 129.37 3c3s s ASN 185 Ca 0.53 -2.16 0.31 0.00 0.21 0.00 0.00 52.86 51.76 3c3s s ASN 185 Cb -0.32 -2.37 1.45 0.00 -0.55 0.00 0.00 41.25 39.46 3c3s s ASN 185 CO 0.35 -0.99 2.03 -0.50 -2.79 0.00 0.00 177.10 175.21 3c3s h TRP 186 N 8.65 0.00 -0.29 0.43 4.06 -1.86 -1.66 115.95 125.28 3c3s h TRP 186 Ca 0.15 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 61.03 3c3s h TRP 186 Cb 1.02 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.17 3c3s h TRP 186 CO 1.15 0.08 -0.14 1.49 -3.56 0.00 0.00 178.44 177.46 3c3s h GLU 187 N 0.00 0.51 0.09 0.49 4.81 -1.97 -1.64 114.58 116.87 3c3s h GLU 187 Ca -0.00 -0.15 -0.26 0.00 -0.13 0.00 0.00 59.36 58.82 3c3s h GLU 187 Cb 0.44 -0.05 0.03 0.00 0.63 0.00 0.00 28.75 29.80 3c3s h GLU 187 CO 0.01 0.64 -1.07 -0.97 -0.73 0.00 0.00 179.01 176.89 3c3s h ASN 188 N 0.46 0.78 -0.81 1.04 -0.73 -1.61 -2.85 115.58 111.86 3c3s h ASN 188 Ca 0.08 -0.82 0.02 0.00 1.87 0.00 0.00 56.30 57.45 3c3s h ASN 188 Cb 0.53 -0.24 -0.04 0.00 0.27 0.00 0.00 38.32 38.83 3c3s h ASN 188 CO 0.03 1.52 0.54 0.58 -0.37 0.00 0.00 177.43 179.73 3c3s h VAL 189 N 0.14 1.19 -0.35 2.57 2.07 -1.40 -1.31 116.25 119.16 3c3s h VAL 189 Ca -0.16 -0.37 -0.12 0.00 0.82 0.00 0.00 66.70 66.88 3c3s h VAL 189 Cb 1.77 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3c3s h VAL 189 CO 0.21 0.20 -0.23 0.74 0.02 0.00 0.00 177.57 178.50 3c3s h THR 190 N 1.07 1.29 -0.00 2.57 2.02 -1.36 -1.24 112.91 117.26 3c3s h THR 190 Ca 0.30 -1.38 0.03 0.00 0.77 0.00 0.00 66.41 66.14 3c3s h THR 190 Cb -0.08 1.41 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 3c3s h THR 190 CO -0.07 0.45 -0.28 -0.08 0.37 0.00 0.00 175.52 175.91 3c3s h GLU 191 N 0.56 -0.41 -0.90 6.66 4.81 -1.22 0.19 114.58 124.27 3c3s h GLU 191 Ca 0.07 0.03 0.19 0.00 -0.13 0.00 0.00 59.36 59.52 3c3s h GLU 191 Cb 0.79 0.09 -0.11 0.00 0.63 0.00 0.00 28.75 30.16 3c3s h GLU 191 CO 0.06 -0.27 0.46 0.00 -0.73 0.00 0.00 179.01 178.53 3c3s h ARG 192 N -0.42 0.54 -0.13 1.92 3.08 -1.15 -2.00 114.38 116.22 3c3s h ARG 192 Ca 0.06 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3c3s h ARG 192 Cb 0.51 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 3c3s h ARG 192 CO -0.24 0.36 -0.09 -0.92 -1.07 0.00 0.00 179.97 178.00 3c3s h TYR 193 N 0.56 0.34 -0.07 3.04 5.03 -0.18 -3.14 116.97 122.56 3c3s h TYR 193 Ca 0.53 -0.10 -0.04 0.00 2.58 0.00 0.00 58.73 61.71 3c3s h TYR 193 Cb 0.89 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 39.09 3c3s h TYR 193 CO -0.09 0.66 -0.15 0.52 -1.32 0.00 0.00 178.16 177.79 3c3s h MET 194 N -0.07 0.11 0.00 1.82 2.86 -0.26 -1.47 114.93 117.91 3c3s h MET 194 Ca 0.02 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3c3s h MET 194 Cb 0.59 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.23 3c3s h MET 194 CO 0.03 0.26 0.00 0.00 1.06 0.00 0.00 176.91 178.25 3c3s n ALA 195 N -2.50 1.53 1.54 6.32 0.00 -0.79 -5.10 120.51 121.51 3c3s n ALA 195 Ca -0.02 0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3c3s n ALA 195 Cb 0.25 -1.26 0.56 0.00 0.00 0.00 0.00 19.45 19.00 3c3s n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50