#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c3t s HIS 2 N 0.00 1.06 0.09 5.64 3.76 -1.26 -5.12 115.29 119.46 3c3t s HIS 2 Ca 0.00 -0.42 0.06 0.00 -0.15 0.00 0.00 55.06 54.54 3c3t s HIS 2 Cb 0.00 -0.62 -0.03 0.00 1.11 0.00 0.00 32.58 33.04 3c3t s HIS 2 CO 0.00 0.02 -0.15 -1.12 -0.85 0.00 0.00 174.74 172.64 3c3t s SER 3 N -1.47 1.86 -0.10 1.40 0.01 -1.26 -4.94 113.70 109.21 3c3t s SER 3 Ca -0.03 -0.69 -0.29 0.00 1.31 0.00 0.00 55.95 56.25 3c3t s SER 3 Cb -0.09 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.04 3c3t s SER 3 CO 0.01 -0.09 1.46 -0.22 0.41 0.00 0.00 173.24 174.81 3c3t s LEU 4 N -1.99 4.26 0.39 2.44 2.96 -1.26 -4.98 118.68 120.50 3c3t s LEU 4 Ca 0.02 1.97 -0.24 0.00 -0.22 0.00 0.00 54.13 55.66 3c3t s LEU 4 Cb -0.08 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.98 3c3t s LEU 4 CO 0.03 -0.84 1.05 -2.16 -1.32 0.00 0.00 176.35 173.11 3c3t s PRO 5 N 3.69 4.20 0.48 0.98 0.04 -1.26 -5.02 135.00 138.11 3c3t s PRO 5 Ca 0.64 1.53 -0.21 0.00 0.04 0.00 0.00 61.00 63.00 3c3t s PRO 5 Cb -0.28 -2.59 -0.08 0.00 0.04 0.00 0.00 34.50 31.59 3c3t s PRO 5 CO 0.22 -0.11 1.05 -0.51 0.04 0.00 0.00 177.00 177.69 3c3t s ASP 6 N -1.51 6.35 0.28 6.66 -0.00 -1.26 -5.03 116.67 122.16 3c3t s ASP 6 Ca 0.57 1.98 -0.21 0.00 -0.00 0.00 0.00 52.55 54.89 3c3t s ASP 6 Cb -0.23 -2.57 -0.09 0.00 -0.00 0.00 0.00 42.92 40.04 3c3t s ASP 6 CO 0.28 -0.78 0.81 -0.76 -0.00 0.00 0.00 175.17 174.73 3c3t s LEU 7 N -3.36 4.27 0.00 1.23 1.02 -1.26 -4.96 118.68 115.63 3c3t s LEU 7 Ca 0.66 1.55 0.16 0.00 0.02 0.00 0.00 54.13 56.52 3c3t s LEU 7 Cb -0.18 -3.85 0.97 0.00 0.02 0.00 0.00 46.19 43.15 3c3t s LEU 7 CO 0.22 -0.06 1.56 -2.65 0.02 0.00 0.00 176.35 175.44 3c3t n PRO 8 N 0.43 0.90 -3.91 1.29 -0.02 -1.26 -4.84 135.00 127.59 3c3t n PRO 8 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.40 3c3t n PRO 8 Cb 0.51 -1.28 -0.02 0.00 -0.02 0.00 0.00 33.50 32.69 3c3t n PRO 8 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3c3t s TYR 9 N -2.00 0.16 0.46 6.00 1.13 -1.26 -5.08 117.35 116.76 3c3t s TYR 9 Ca 0.24 -0.62 -0.04 0.00 -1.41 0.00 0.00 57.07 55.25 3c3t s TYR 9 Cb 0.11 0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 41.44 3c3t s TYR 9 CO 0.19 -1.23 0.75 0.16 -2.51 0.00 0.00 175.55 172.91 3c3t s ASP 10 N -3.01 6.27 0.52 -0.18 3.84 -1.26 -4.96 116.67 117.89 3c3t s ASP 10 Ca 0.17 0.85 0.32 0.00 -0.00 0.00 0.00 52.55 53.89 3c3t s ASP 10 Cb -0.04 -2.21 1.46 0.00 -1.38 0.00 0.00 42.92 40.75 3c3t s ASP 10 CO 0.10 -0.53 1.86 1.88 -0.00 0.00 0.00 175.17 178.47 3c3t h TYR 11 N 0.31 0.07 -0.55 2.11 0.05 -1.95 -0.64 116.97 116.37 3c3t h TYR 11 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.31 3c3t h TYR 11 Cb 1.21 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.93 3c3t h TYR 11 CO 0.57 0.01 0.00 0.41 -1.05 0.00 0.00 178.16 178.10 3c3t n GLY 12 N -1.71 1.77 0.28 3.88 0.00 -1.26 -4.03 105.19 104.12 3c3t n GLY 12 Ca 0.21 -0.67 0.18 0.00 0.00 0.00 0.00 46.02 45.74 3c3t n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c3t h ALA 13 N 4.21 1.00 -0.46 4.61 0.00 -1.47 -3.00 119.26 124.16 3c3t h ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3c3t h ALA 13 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3c3t h ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3c3t n LEU 14 N -2.98 3.55 -4.77 0.00 4.77 -1.26 -4.54 117.00 111.77 3c3t n LEU 14 Ca -0.00 -1.58 -0.34 0.00 -0.03 0.00 0.00 56.01 54.06 3c3t n LEU 14 Cb 0.23 -0.30 0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3c3t n LEU 14 CO 0.24 0.79 0.77 -1.61 -1.33 0.00 0.00 177.39 176.25 3c3t s GLU 15 N -1.41 2.97 0.00 3.23 2.02 -1.13 -1.95 118.70 122.42 3c3t s GLU 15 Ca 0.41 1.54 0.19 0.00 0.02 0.00 0.00 54.97 57.12 3c3t s GLU 15 Cb 0.23 -1.96 0.77 0.00 0.10 0.00 0.00 34.13 33.28 3c3t s GLU 15 CO 0.32 -1.14 1.54 -0.35 0.02 0.00 0.00 175.26 175.65 3c3t n PRO 16 N -1.96 1.52 -0.16 0.39 -0.04 -1.26 -4.89 135.00 128.61 3c3t n PRO 16 Ca 0.11 -0.79 -0.09 0.00 -0.04 0.00 0.00 63.50 62.69 3c3t n PRO 16 Cb 0.51 -1.34 -0.00 0.00 -0.04 0.00 0.00 33.50 32.63 3c3t n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3c3t h HIS 17 N 1.54 0.76 -3.21 0.54 3.86 -1.75 -3.40 115.15 113.50 3c3t h HIS 17 Ca 0.00 -0.10 -0.46 0.00 -1.16 0.00 0.00 60.37 58.66 3c3t h HIS 17 Cb 0.34 -0.21 -0.40 0.00 1.06 0.00 0.00 27.41 28.20 3c3t h HIS 17 CO 0.09 0.71 -0.76 0.42 0.86 0.00 0.00 177.93 179.25 3c3t s ILE 18 N -5.27 0.22 0.78 2.45 1.01 -1.08 -4.78 121.20 114.53 3c3t s ILE 18 Ca -0.13 -0.13 -0.10 0.00 0.00 0.00 0.00 60.65 60.29 3c3t s ILE 18 Cb 0.11 -0.65 0.06 0.00 0.01 0.00 0.00 42.46 41.99 3c3t s ILE 18 CO 0.78 -0.05 1.09 0.54 0.00 0.00 0.00 174.94 177.31 3c3t s ASN 19 N 2.01 4.47 0.28 3.58 2.20 -1.26 -3.40 114.94 122.83 3c3t s ASN 19 Ca 0.02 1.83 0.00 0.00 -0.94 0.00 0.00 52.86 53.77 3c3t s ASN 19 Cb -0.15 -2.52 0.51 0.00 -2.00 0.00 0.00 41.25 37.09 3c3t s ASN 19 CO -0.07 -2.06 1.87 0.00 -2.94 0.00 0.00 177.10 173.91 3c3t h ALA 20 N -1.14 1.49 -0.71 3.54 0.00 -1.89 -2.64 119.26 117.91 3c3t h ALA 20 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3c3t h ALA 20 Cb 1.23 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3c3t h ALA 20 CO 0.51 0.32 0.45 0.37 0.00 0.00 0.00 179.25 180.90 3c3t h GLN 21 N 1.06 0.94 -0.16 0.00 4.15 -1.92 0.50 115.11 119.68 3c3t h GLN 21 Ca 0.45 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.78 3c3t h GLN 21 Cb 0.32 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 3c3t h GLN 21 CO -0.20 0.64 0.05 0.82 -1.93 0.00 0.00 178.83 178.21 3c3t h ILE 22 N 0.96 1.19 -0.78 2.39 2.04 -1.86 -1.66 117.51 119.79 3c3t h ILE 22 Ca 0.26 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 65.56 3c3t h ILE 22 Cb -0.08 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 3c3t h ILE 22 CO -0.05 0.18 0.50 0.24 0.00 0.00 0.00 178.15 179.01 3c3t h MET 23 N 0.07 0.94 -0.21 2.37 2.86 -1.14 0.19 114.93 120.00 3c3t h MET 23 Ca 0.05 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3c3t h MET 23 Cb 0.24 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3c3t h MET 23 CO -0.00 0.62 0.05 0.37 1.06 0.00 0.00 176.91 179.01 3c3t h GLN 24 N 0.97 0.34 -0.18 1.72 4.15 -0.76 -1.56 115.11 119.78 3c3t h GLN 24 Ca 0.31 -0.08 -0.03 0.00 0.77 0.00 0.00 58.65 59.62 3c3t h GLN 24 Cb 0.01 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 3c3t h GLN 24 CO -0.11 0.46 0.00 -0.07 -1.93 0.00 0.00 178.83 177.18 3c3t h LEU 25 N 0.16 0.31 -0.73 -2.39 3.38 -1.04 0.05 115.31 115.05 3c3t h LEU 25 Ca 0.07 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 57.81 3c3t h LEU 25 Cb 0.27 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 3c3t h LEU 25 CO 0.00 0.55 0.40 -0.74 0.09 0.00 0.00 178.44 178.73 3c3t h HIS 26 N 0.07 0.72 0.00 1.13 2.76 -0.62 0.13 115.15 119.35 3c3t h HIS 26 Ca 0.05 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.22 3c3t h HIS 26 Cb 0.38 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.13 3c3t h HIS 26 CO 0.03 0.30 -0.34 1.25 -1.30 0.00 0.00 177.93 177.88 3c3t h HIS 27 N 0.69 0.00 0.00 5.26 -0.00 -1.24 -1.31 115.15 118.56 3c3t h HIS 27 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.72 3c3t h HIS 27 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 3c3t h HIS 27 CO -0.08 0.30 0.00 0.66 -0.00 0.00 0.00 177.93 178.81 3c3t h SER 28 N -1.00 0.00 0.00 3.26 4.64 -1.06 -3.02 113.55 116.37 3c3t h SER 28 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3c3t h SER 28 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3c3t h SER 28 CO -0.03 0.00 -0.47 0.29 -0.87 0.00 0.00 176.83 175.76 3c3t n LYS 29 N -2.90 0.25 0.16 4.77 4.76 -0.06 -4.48 118.16 120.66 3c3t n LYS 29 Ca 0.02 0.10 -0.13 0.00 -2.87 0.00 0.00 58.31 55.43 3c3t n LYS 29 Cb 0.36 -0.93 -0.08 0.00 -1.84 0.00 0.00 35.03 32.54 3c3t n LYS 29 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3c3t h HIS 30 N -0.47 -0.40 -0.73 2.13 3.86 -1.31 -1.98 115.15 116.26 3c3t h HIS 30 Ca 0.00 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.15 3c3t h HIS 30 Cb 0.47 0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.04 3c3t h HIS 30 CO -0.20 -0.07 0.25 1.25 0.86 0.00 0.00 177.93 180.01 3c3t h HIS 31 N -0.78 1.14 -0.74 2.45 -0.00 -1.30 -2.67 115.15 113.25 3c3t h HIS 31 Ca -0.04 -0.10 0.03 0.00 -0.00 0.00 0.00 60.37 60.26 3c3t h HIS 31 Cb 0.51 -0.33 -0.05 0.00 -0.00 0.00 0.00 27.41 27.54 3c3t h HIS 31 CO 0.02 0.89 0.46 0.00 -0.00 0.00 0.00 177.93 179.30 3c3t h ALA 32 N 1.20 0.97 -0.13 5.26 0.00 -1.55 -1.68 119.26 123.32 3c3t h ALA 32 Ca 0.24 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3c3t h ALA 32 Cb 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3c3t h ALA 32 CO -0.01 0.25 0.03 0.00 0.00 0.00 0.00 179.25 179.51 3c3t h ALA 33 N 1.32 0.13 -0.42 0.00 0.00 -1.05 -1.39 119.26 117.86 3c3t h ALA 33 Ca 0.30 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.29 3c3t h ALA 33 Cb 0.03 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3c3t h ALA 33 CO -0.11 -0.42 0.11 1.88 0.00 0.00 0.00 179.25 180.70 3c3t h TYR 34 N 0.08 0.18 -0.39 0.00 0.99 -1.12 0.38 116.97 117.10 3c3t h TYR 34 Ca 0.06 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.81 3c3t h TYR 34 Cb 0.05 -0.02 -0.02 0.00 1.00 0.00 0.00 36.73 37.74 3c3t h TYR 34 CO -0.12 0.04 0.24 0.28 -0.00 0.00 0.00 178.16 178.60 3c3t h VAL 35 N 0.25 1.13 -0.42 -2.88 2.07 -1.04 0.16 116.25 115.51 3c3t h VAL 35 Ca 0.20 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3c3t h VAL 35 Cb 0.23 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3c3t h VAL 35 CO -0.24 0.13 0.21 0.78 0.02 0.00 0.00 177.57 178.47 3c3t h ASN 36 N 0.51 0.54 0.49 0.57 2.35 -0.89 -2.02 115.58 117.14 3c3t h ASN 36 Ca 0.14 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.67 3c3t h ASN 36 Cb 0.00 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 3c3t h ASN 36 CO -0.03 0.51 -0.50 0.78 -1.65 0.00 0.00 177.43 176.54 3c3t h ASN 37 N 0.54 0.01 -0.29 5.81 -0.26 -0.67 -2.76 115.58 117.96 3c3t h ASN 37 Ca 0.15 -0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.83 3c3t h ASN 37 Cb 0.10 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 3c3t h ASN 37 CO -0.02 0.51 -0.01 0.25 -1.06 0.00 0.00 177.43 177.10 3c3t h LEU 38 N 0.01 0.52 -0.72 1.61 5.85 -0.51 -1.39 115.31 120.68 3c3t h LEU 38 Ca -0.00 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.40 3c3t h LEU 38 Cb 0.89 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 3c3t h LEU 38 CO 0.07 0.71 0.48 0.78 -0.34 0.00 0.00 178.44 180.13 3c3t h ASN 39 N 0.31 0.83 -0.71 1.25 2.35 -1.24 -1.03 115.58 117.34 3c3t h ASN 39 Ca 0.08 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 3c3t h ASN 39 Cb 0.45 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 3c3t h ASN 39 CO 0.02 0.61 0.21 0.58 -1.65 0.00 0.00 177.43 177.19 3c3t h VAL 40 N 0.98 1.26 -0.44 2.81 2.07 -1.40 -2.20 116.25 119.33 3c3t h VAL 40 Ca 0.26 -0.91 -0.13 0.00 0.82 0.00 0.00 66.70 66.74 3c3t h VAL 40 Cb -0.11 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3c3t h VAL 40 CO -0.06 0.35 -0.25 0.74 0.02 0.00 0.00 177.57 178.37 3c3t h THR 41 N 1.05 1.27 -0.41 2.57 2.02 -0.77 -2.32 112.91 116.32 3c3t h THR 41 Ca 0.23 -1.41 -0.10 0.00 0.77 0.00 0.00 66.41 65.89 3c3t h THR 41 Cb 0.32 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 3c3t h THR 41 CO -0.01 0.48 -0.16 -0.33 0.37 0.00 0.00 175.52 175.88 3c3t h GLU 42 N 0.80 0.76 -0.29 6.66 5.08 -1.12 -0.64 114.58 125.83 3c3t h GLU 42 Ca 0.10 -0.27 0.03 0.00 -1.00 0.00 0.00 59.36 58.21 3c3t h GLU 42 Cb 0.82 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 3c3t h GLU 42 CO 0.07 0.88 0.12 1.49 -1.00 0.00 0.00 179.01 180.57 3c3t h GLU 43 N 0.68 0.26 -0.30 2.33 4.57 -1.22 -0.07 114.58 120.84 3c3t h GLU 43 Ca 0.11 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.16 3c3t h GLU 43 Cb 0.64 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 3c3t h GLU 43 CO 0.05 0.17 -0.27 0.87 -1.18 0.00 0.00 179.01 178.64 3c3t h LYS 44 N 0.27 0.60 -0.17 1.92 1.57 -1.17 -2.67 116.57 116.92 3c3t h LYS 44 Ca 0.12 -0.25 -0.09 0.00 -1.87 0.00 0.00 60.65 58.56 3c3t h LYS 44 Cb 0.07 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3c3t h LYS 44 CO -0.11 0.82 -0.30 -0.92 -0.57 0.00 0.00 179.45 178.37 3c3t h TYR 45 N 0.52 0.38 -0.61 -1.35 5.03 -0.64 -0.95 116.97 119.35 3c3t h TYR 45 Ca 0.07 -0.08 -0.09 0.00 2.58 0.00 0.00 58.73 61.21 3c3t h TYR 45 Cb 0.74 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.91 3c3t h TYR 45 CO 0.03 0.61 0.04 0.37 -1.32 0.00 0.00 178.16 177.88 3c3t h GLN 46 N 0.30 1.05 -0.27 1.82 5.75 -0.73 0.50 115.11 123.52 3c3t h GLN 46 Ca 0.04 -0.31 -0.07 0.00 -0.15 0.00 0.00 58.65 58.17 3c3t h GLN 46 Cb 0.68 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.11 3c3t h GLN 46 CO 0.05 1.00 -0.09 0.93 -2.65 0.00 0.00 178.83 178.07 3c3t h GLU 47 N 0.97 0.54 -0.77 1.69 4.39 -1.12 -1.82 114.58 118.46 3c3t h GLU 47 Ca 0.18 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 3c3t h GLU 47 Cb 0.51 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 3c3t h GLU 47 CO 0.02 0.77 0.39 0.00 -1.16 0.00 0.00 179.01 179.03 3c3t h ALA 48 N 0.76 0.99 -0.49 3.43 0.00 -0.99 -2.40 119.26 120.56 3c3t h ALA 48 Ca 0.07 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3c3t h ALA 48 Cb 0.58 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3c3t h ALA 48 CO 0.03 0.53 -0.09 1.25 0.00 0.00 0.00 179.25 180.97 3c3t h LEU 49 N 1.07 0.88 -1.10 0.00 5.85 -0.84 0.41 115.31 121.58 3c3t h LEU 49 Ca 0.27 -0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 3c3t h LEU 49 Cb 0.08 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3c3t h LEU 49 CO -0.04 0.99 -0.40 0.00 -0.34 0.00 0.00 178.44 178.66 3c3t h ALA 50 N 1.09 1.14 -0.12 1.25 0.00 -1.06 -2.80 119.26 118.76 3c3t h ALA 50 Ca 0.13 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3c3t h ALA 50 Cb 0.61 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3c3t h ALA 50 CO 0.04 0.49 0.00 1.63 0.00 0.00 0.00 179.25 181.41 3c3t n LYS 51 N -3.76 2.11 -1.62 0.00 5.02 -0.93 -4.94 118.16 114.04 3c3t n LYS 51 Ca -0.01 -1.64 -0.14 0.00 -2.02 0.00 0.00 58.31 54.50 3c3t n LYS 51 Cb 0.47 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.97 3c3t n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3c3t n GLY 52 N 1.31 1.03 3.56 0.72 0.00 -0.70 -4.92 105.19 106.18 3c3t n GLY 52 Ca 0.17 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 3c3t n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3c3t s ASP 53 N -2.73 6.48 0.26 1.61 3.68 0.05 -4.84 116.67 121.19 3c3t s ASP 53 Ca 0.00 -1.41 -0.01 0.00 2.13 0.00 0.00 52.55 53.27 3c3t s ASP 53 Cb 0.00 -2.57 0.35 0.00 -1.45 0.00 0.00 42.92 39.26 3c3t s ASP 53 CO 0.00 -1.52 1.73 0.58 0.13 0.00 0.00 175.17 176.09 3c3t h VAL 54 N 6.75 1.25 -0.32 1.11 2.07 -1.91 -2.38 116.25 122.82 3c3t h VAL 54 Ca 0.17 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 3c3t h VAL 54 Cb 1.01 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3c3t h VAL 54 CO 1.42 0.38 0.17 0.74 0.02 0.00 0.00 177.57 180.30 3c3t h THR 55 N 0.62 1.13 -0.64 2.57 2.02 -1.98 -1.54 112.91 115.08 3c3t h THR 55 Ca 0.11 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 3c3t h THR 55 Cb 0.55 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 3c3t h THR 55 CO 0.03 0.13 0.30 0.00 0.37 0.00 0.00 175.52 176.35 3c3t h ALA 56 N 1.05 0.83 -0.43 6.16 0.00 -1.93 -0.70 119.26 124.24 3c3t h ALA 56 Ca 0.11 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3c3t h ALA 56 Cb 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3c3t h ALA 56 CO -0.02 0.41 0.27 1.96 0.00 0.00 0.00 179.25 181.88 3c3t h GLN 57 N 0.89 0.54 -0.25 0.00 4.20 -1.19 -1.76 115.11 117.54 3c3t h GLN 57 Ca 0.22 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.78 3c3t h GLN 57 Cb 0.14 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3c3t h GLN 57 CO -0.03 0.36 -0.35 0.82 -0.67 0.00 0.00 178.83 178.97 3c3t h ILE 58 N 0.55 1.29 0.00 2.54 2.04 -1.01 -2.78 117.51 120.14 3c3t h ILE 58 Ca 0.17 -1.46 -0.05 0.00 1.00 0.00 0.00 64.86 64.51 3c3t h ILE 58 Cb -0.03 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3c3t h ILE 58 CO -0.06 0.46 -0.25 0.00 0.00 0.00 0.00 178.15 178.30 3c3t h ALA 59 N 1.18 1.58 0.00 1.87 0.00 -0.76 -2.74 119.26 120.38 3c3t h ALA 59 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3c3t h ALA 59 Cb 0.82 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3c3t h ALA 59 CO 0.07 0.32 -0.14 1.28 0.00 0.00 0.00 179.25 180.77 3c3t n LEU 60 N -4.24 0.41 -0.20 0.00 4.77 -0.70 -4.30 117.00 112.75 3c3t n LEU 60 Ca -0.02 0.43 -0.01 0.00 -0.03 0.00 0.00 56.01 56.37 3c3t n LEU 60 Cb 0.31 -0.37 0.10 0.00 -2.33 0.00 0.00 43.42 41.12 3c3t n LEU 60 CO 0.37 -0.05 1.01 1.56 -1.33 0.00 0.00 177.39 178.95 3c3t h GLN 61 N 0.00 0.45 -0.73 3.23 4.20 -1.36 -1.53 115.11 119.37 3c3t h GLN 61 Ca 0.00 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.72 3c3t h GLN 61 Cb 0.61 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.24 3c3t h GLN 61 CO 0.00 0.30 0.45 -1.35 -0.67 0.00 0.00 178.83 177.56 3c3t h PRO 62 N 0.46 0.85 -0.42 1.46 0.11 -1.80 -0.72 132.00 131.95 3c3t h PRO 62 Ca 0.29 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.22 3c3t h PRO 62 Cb 0.31 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 3c3t h PRO 62 CO -0.26 0.56 -0.27 0.00 -0.21 0.00 0.00 178.00 177.82 3c3t h ALA 63 N 1.32 0.73 -0.38 -0.75 0.00 -1.75 -1.78 119.26 116.64 3c3t h ALA 63 Ca 0.30 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3c3t h ALA 63 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3c3t h ALA 63 CO -0.12 0.66 -0.16 1.25 0.00 0.00 0.00 179.25 180.89 3c3t h LEU 64 N 0.76 0.80 -0.48 0.00 5.85 -0.96 -1.54 115.31 119.75 3c3t h LEU 64 Ca 0.09 -0.39 -0.11 0.00 0.84 0.00 0.00 57.88 58.31 3c3t h LEU 64 Cb 0.83 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3c3t h LEU 64 CO 0.07 1.01 -0.11 0.50 -0.34 0.00 0.00 178.44 179.57 3c3t h LYS 65 N 0.58 0.92 0.08 1.25 3.64 -1.10 0.16 116.57 122.10 3c3t h LYS 65 Ca 0.09 -0.35 -0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3c3t h LYS 65 Cb 0.70 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3c3t h LYS 65 CO 0.05 1.00 -0.04 0.35 -2.27 0.00 0.00 179.45 178.54 3c3t h PHE 66 N 0.76 -0.11 0.08 1.91 3.04 -1.30 0.39 116.94 121.73 3c3t h PHE 66 Ca 0.12 -0.00 -0.26 0.00 3.98 0.00 0.00 57.97 61.81 3c3t h PHE 66 Cb 0.66 0.03 0.01 0.00 2.56 0.00 0.00 35.95 39.22 3c3t h PHE 66 CO 0.05 0.29 -1.13 -0.91 -2.02 0.00 0.00 178.31 174.59 3c3t h ASN 67 N -0.53 0.53 -0.33 0.41 4.21 -1.36 -0.51 115.58 118.00 3c3t h ASN 67 Ca -0.01 -0.50 -0.06 0.00 1.21 0.00 0.00 56.30 56.94 3c3t h ASN 67 Cb 0.44 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.47 3c3t h ASN 67 CO 0.02 1.34 -0.04 1.23 -1.29 0.00 0.00 177.43 178.69 3c3t h GLY 68 N 1.26 0.66 1.01 2.83 0.00 -0.77 -1.62 103.07 106.43 3c3t h GLY 68 Ca -0.12 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.65 3c3t h GLY 68 CO 0.19 0.47 0.27 -1.33 0.00 0.00 0.00 176.54 176.15 3c3t h GLY 69 N 0.39 1.07 0.67 4.60 0.00 -0.94 -1.62 103.07 107.25 3c3t h GLY 69 Ca 0.09 -0.58 0.06 0.00 0.00 0.00 0.00 47.33 46.89 3c3t h GLY 69 CO 0.03 0.55 0.35 -1.33 0.00 0.00 0.00 176.54 176.13 3c3t h GLY 70 N 0.95 0.94 0.84 4.60 0.00 -0.83 0.10 103.07 109.67 3c3t h GLY 70 Ca 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3c3t h GLY 70 CO -0.02 0.14 0.04 0.84 0.00 0.00 0.00 176.54 177.54 3c3t h HIS 71 N 0.65 0.22 -0.00 5.60 6.17 -0.95 -2.13 115.15 124.71 3c3t h HIS 71 Ca 0.29 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.35 3c3t h HIS 71 Cb 0.19 -0.06 -0.00 0.00 2.52 0.00 0.00 27.41 30.06 3c3t h HIS 71 CO -0.09 0.35 -0.00 0.82 0.71 0.00 0.00 177.93 179.72 3c3t h ILE 72 N 0.04 1.00 -0.25 6.26 2.04 -0.94 -1.50 117.51 124.15 3c3t h ILE 72 Ca 0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 3c3t h ILE 72 Cb 0.23 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3c3t h ILE 72 CO -0.00 0.00 0.16 0.78 0.00 0.00 0.00 178.15 179.08 3c3t h ASN 73 N -0.00 0.30 0.18 1.72 2.35 -0.79 -2.68 115.58 116.66 3c3t h ASN 73 Ca 0.00 -0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.57 3c3t h ASN 73 Cb 0.00 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3c3t h ASN 73 CO -0.00 0.25 -0.52 0.45 -1.65 0.00 0.00 177.43 175.96 3c3t h HIS 74 N 0.32 0.47 -0.77 1.19 3.86 -1.37 -0.71 115.15 118.13 3c3t h HIS 74 Ca 0.09 -0.16 0.02 0.00 -1.16 0.00 0.00 60.37 59.16 3c3t h HIS 74 Cb 0.00 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.34 3c3t h HIS 74 CO -0.05 0.82 0.50 0.77 0.86 0.00 0.00 177.93 180.84 3c3t h SER 75 N 0.30 0.86 -0.17 2.45 0.02 -1.15 -1.80 113.55 114.05 3c3t h SER 75 Ca 0.01 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 3c3t h SER 75 Cb 1.02 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 3c3t h SER 75 CO 0.09 0.61 -0.24 0.40 -1.14 0.00 0.00 176.83 176.55 3c3t h ILE 76 N 1.01 1.35 -0.41 3.27 2.04 -1.35 -3.30 117.51 120.12 3c3t h ILE 76 Ca 0.29 -1.45 0.08 0.00 1.00 0.00 0.00 64.86 64.79 3c3t h ILE 76 Cb -0.07 1.89 -0.08 0.00 -0.74 0.00 0.00 36.82 37.81 3c3t h ILE 76 CO -0.08 0.44 -0.16 0.15 0.00 0.00 0.00 178.15 178.50 3c3t h PHE 77 N 0.10 -0.37 -1.00 1.37 3.57 -0.68 -1.70 116.94 118.22 3c3t h PHE 77 Ca 0.02 0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.67 3c3t h PHE 77 Cb 0.81 0.23 -0.08 0.00 2.79 0.00 0.00 35.95 39.69 3c3t h PHE 77 CO 0.09 -0.24 0.64 -1.49 -2.23 0.00 0.00 178.31 175.08 3c3t h TRP 78 N -0.07 1.16 0.00 0.41 -0.00 -1.42 -0.09 115.95 115.94 3c3t h TRP 78 Ca 0.20 0.03 -0.05 0.00 -0.00 0.00 0.00 58.89 59.07 3c3t h TRP 78 Cb 0.38 -0.37 -0.01 0.00 -0.00 0.00 0.00 29.16 29.16 3c3t h TRP 78 CO -0.40 0.50 -0.22 1.79 -0.00 0.00 0.00 178.44 180.10 3c3t h THR 79 N 1.04 0.48 0.00 1.49 1.35 -1.44 -2.88 112.91 112.96 3c3t h THR 79 Ca 0.48 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 3c3t h THR 79 Cb 0.41 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 3c3t h THR 79 CO -0.24 0.22 0.00 0.59 -0.25 0.00 0.00 175.52 175.84 3c3t n ASN 80 N -3.30 0.00 -4.53 5.36 5.03 -0.06 -4.72 115.26 113.05 3c3t n ASN 80 Ca 0.01 0.37 -0.28 0.00 0.87 0.00 0.00 54.58 55.56 3c3t n ASN 80 Cb 0.48 -0.45 -0.10 0.00 -1.02 0.00 0.00 39.78 38.69 3c3t n ASN 80 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3c3t s LEU 81 N -2.90 2.82 -0.27 3.41 1.43 -1.09 0.12 118.68 122.21 3c3t s LEU 81 Ca 0.13 -0.61 -0.23 0.00 -1.03 0.00 0.00 54.13 52.39 3c3t s LEU 81 Cb 0.14 -1.56 0.07 0.00 0.03 0.00 0.00 46.19 44.87 3c3t s LEU 81 CO 0.37 0.13 0.72 -0.55 0.23 0.00 0.00 176.35 177.24 3c3t s SER 82 N -2.60 -0.80 0.61 2.29 0.15 0.30 -4.66 113.70 108.99 3c3t s SER 82 Ca 0.22 1.46 0.32 0.00 0.70 0.00 0.00 55.95 58.65 3c3t s SER 82 Cb -0.09 1.44 1.85 0.00 -1.71 0.00 0.00 66.02 67.51 3c3t s SER 82 CO 0.13 -0.25 2.19 1.55 1.20 0.00 0.00 173.24 178.07 3c3t h PRO 83 N 5.53 0.00 -1.23 5.44 0.13 -1.86 -0.43 132.00 139.58 3c3t h PRO 83 Ca -0.29 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.23 3c3t h PRO 83 Cb 1.18 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.92 3c3t h PRO 83 CO 0.08 0.00 -0.37 0.27 -0.23 0.00 0.00 178.00 177.75 3c3t n ASN 84 N -3.64 5.46 -0.01 1.44 6.94 -1.26 -4.99 115.26 119.20 3c3t n ASN 84 Ca -0.01 -3.75 0.00 0.00 -0.02 0.00 0.00 54.58 50.80 3c3t n ASN 84 Cb 0.20 -0.54 0.00 0.00 -2.36 0.00 0.00 39.78 37.07 3c3t n ASN 84 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3c3t n GLY 85 N -0.62 1.91 1.10 4.83 0.00 -0.17 -5.01 105.19 107.22 3c3t n GLY 85 Ca 0.45 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.51 3c3t n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3c3t n GLY 86 N 5.00 -2.86 6.73 -0.02 0.00 0.66 -4.68 105.19 110.02 3c3t n GLY 86 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.24 3c3t n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3c3t n GLY 87 N -0.39 -0.54 3.35 -0.02 0.00 -1.26 -4.81 105.19 101.52 3c3t n GLY 87 Ca 0.00 -1.17 -0.20 0.00 0.00 0.00 0.00 46.02 44.65 3c3t n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3c3t s GLU 88 N 0.00 1.33 0.74 1.61 2.02 -1.26 -5.03 118.70 118.11 3c3t s GLU 88 Ca 0.00 -1.54 -0.12 0.00 0.02 0.00 0.00 54.97 53.34 3c3t s GLU 88 Cb 0.00 -1.24 0.03 0.00 0.10 0.00 0.00 34.13 33.02 3c3t s GLU 88 CO 0.00 0.23 1.11 -1.25 0.02 0.00 0.00 175.26 175.36 3c3t s PRO 89 N -3.32 2.58 0.31 0.39 0.04 -1.26 -5.02 135.00 128.71 3c3t s PRO 89 Ca 0.20 0.46 0.03 0.00 0.04 0.00 0.00 61.00 61.73 3c3t s PRO 89 Cb -0.03 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 3c3t s PRO 89 CO 0.07 -1.23 0.13 -1.59 0.04 0.00 0.00 177.00 174.42 3c3t s LYS 90 N -5.34 1.59 3.33 4.56 -2.85 -1.26 -4.56 119.74 115.20 3c3t s LYS 90 Ca 0.59 -1.90 0.00 0.00 -1.00 0.00 0.00 55.97 53.66 3c3t s LYS 90 Cb -0.12 -0.28 0.00 0.00 -2.06 0.00 0.00 37.83 35.37 3c3t s LYS 90 CO 0.52 -0.38 0.00 0.41 0.10 0.00 0.00 175.35 175.99 3c3t n GLY 91 N -0.60 0.03 0.36 0.59 0.00 -1.26 -3.77 105.19 100.54 3c3t n GLY 91 Ca -0.00 -0.97 0.04 0.00 0.00 0.00 0.00 46.02 45.10 3c3t n GLY 91 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3c3t h GLU 92 N 0.00 0.88 -0.09 1.61 5.08 -1.98 -2.24 114.58 117.83 3c3t h GLU 92 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3c3t h GLU 92 Cb 0.00 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3c3t h GLU 92 CO 0.00 0.58 0.05 1.25 -1.00 0.00 0.00 179.01 179.89 3c3t h LEU 93 N 0.90 0.07 -1.49 1.33 6.46 -1.96 0.34 115.31 120.97 3c3t h LEU 93 Ca 0.33 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 58.07 3c3t h LEU 93 Cb 0.17 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 3c3t h LEU 93 CO -0.11 0.06 0.09 0.25 -0.62 0.00 0.00 178.44 178.11 3c3t h LEU 94 N 0.10 0.39 -0.08 2.25 5.85 -1.57 -0.67 115.31 121.58 3c3t h LEU 94 Ca 0.04 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3c3t h LEU 94 Cb 0.00 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 3c3t h LEU 94 CO -0.02 0.38 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.10 3c3t h GLU 95 N 0.43 0.17 -0.88 1.25 5.08 -0.73 -2.31 114.58 117.59 3c3t h GLU 95 Ca 0.11 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3c3t h GLU 95 Cb 0.14 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 3c3t h GLU 95 CO -0.01 0.53 0.58 0.00 -1.00 0.00 0.00 179.01 179.11 3c3t h ALA 96 N 0.64 1.14 -0.03 3.43 0.00 0.03 -1.08 119.26 123.39 3c3t h ALA 96 Ca 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3c3t h ALA 96 Cb 0.47 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3c3t h ALA 96 CO 0.01 0.46 0.02 0.82 0.00 0.00 0.00 179.25 180.56 3c3t h ILE 97 N 1.14 1.08 -0.87 0.00 2.04 -1.08 0.89 117.51 120.71 3c3t h ILE 97 Ca 0.34 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.96 3c3t h ILE 97 Cb -0.06 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 3c3t h ILE 97 CO -0.10 0.06 0.45 0.11 0.00 0.00 0.00 178.15 178.68 3c3t h LYS 98 N -0.04 1.23 -0.52 2.37 1.57 -1.19 0.30 116.57 120.28 3c3t h LYS 98 Ca 0.01 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.53 3c3t h LYS 98 Cb 0.09 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3c3t h LYS 98 CO -0.00 0.91 -0.08 -0.09 -0.57 0.00 0.00 179.45 179.62 3c3t h ARG 99 N 1.22 0.98 0.00 3.15 1.12 -0.94 0.22 114.38 120.13 3c3t h ARG 99 Ca 0.30 -0.35 -0.19 0.00 -1.11 0.00 0.00 59.98 58.62 3c3t h ARG 99 Cb 0.06 -0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 29.92 3c3t h ARG 99 CO -0.04 1.03 -1.38 -0.44 -3.11 0.00 0.00 179.97 176.02 3c3t h ASP 100 N 0.85 0.00 0.00 -3.80 3.32 -0.59 -3.39 116.42 112.81 3c3t h ASP 100 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3c3t h ASP 100 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 3c3t h ASP 100 CO 0.04 0.69 -0.01 0.49 -1.72 0.00 0.00 179.24 178.74 3c3t n PHE 101 N -2.98 0.00 0.00 4.55 3.01 0.10 -5.02 117.46 117.12 3c3t n PHE 101 Ca -0.10 -0.51 0.00 0.00 1.01 0.00 0.00 57.45 57.85 3c3t n PHE 101 Cb 0.89 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 40.30 3c3t n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3c3t n GLY 102 N -0.57 1.94 3.71 1.37 0.00 0.76 -4.25 105.19 108.16 3c3t n GLY 102 Ca 0.02 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 3c3t n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3c3t s SER 103 N 0.00 -0.32 0.30 1.61 1.04 -1.25 -4.68 113.70 110.40 3c3t s SER 103 Ca 0.00 -0.39 -0.02 0.00 0.48 0.00 0.00 55.95 56.03 3c3t s SER 103 Cb 0.00 0.62 0.45 0.00 0.10 0.00 0.00 66.02 67.19 3c3t s SER 103 CO 0.00 -1.12 1.95 0.15 0.98 0.00 0.00 173.24 175.21 3c3t h PHE 104 N 2.00 1.00 -0.46 5.02 3.57 -1.89 -1.38 116.94 124.80 3c3t h PHE 104 Ca -0.24 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.26 3c3t h PHE 104 Cb 1.26 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 3c3t h PHE 104 CO 0.36 0.65 0.25 -0.44 -2.23 0.00 0.00 178.31 176.90 3c3t h ASP 105 N 1.06 0.58 -0.43 0.41 5.19 -1.96 -0.48 116.42 120.80 3c3t h ASP 105 Ca 0.28 -0.10 -0.12 0.00 -0.62 0.00 0.00 57.03 56.47 3c3t h ASP 105 Cb -0.08 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.27 3c3t h ASP 105 CO -0.06 0.51 -0.20 0.11 -3.12 0.00 0.00 179.24 176.49 3c3t h LYS 106 N 0.61 0.93 0.05 3.56 1.57 -1.71 -0.26 116.57 121.31 3c3t h LYS 106 Ca 0.16 -0.38 0.01 0.00 -1.87 0.00 0.00 60.65 58.57 3c3t h LYS 106 Cb 0.06 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3c3t h LYS 106 CO -0.03 1.04 -0.09 0.35 -0.57 0.00 0.00 179.45 180.15 3c3t h PHE 107 N 0.81 -0.22 -0.81 -1.35 3.57 -1.00 0.22 116.94 118.15 3c3t h PHE 107 Ca 0.11 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.67 3c3t h PHE 107 Cb 0.75 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.52 3c3t h PHE 107 CO 0.05 -0.14 0.50 -0.22 -2.23 0.00 0.00 178.31 176.26 3c3t h LYS 108 N -0.18 0.89 -0.68 1.11 3.64 -0.90 0.89 116.57 121.34 3c3t h LYS 108 Ca 0.02 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3c3t h LYS 108 Cb 0.19 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 3c3t h LYS 108 CO -0.05 0.59 0.34 1.49 -2.27 0.00 0.00 179.45 179.54 3c3t h GLU 109 N 0.91 0.96 -0.21 1.90 4.81 -0.42 -1.04 114.58 121.50 3c3t h GLU 109 Ca 0.35 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 3c3t h GLU 109 Cb 0.16 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3c3t h GLU 109 CO -0.17 0.75 -0.07 0.87 -0.73 0.00 0.00 179.01 179.66 3c3t h LYS 110 N 0.93 0.42 -0.62 1.92 1.79 0.46 -1.73 116.57 119.76 3c3t h LYS 110 Ca 0.23 -0.17 -0.08 0.00 -2.18 0.00 0.00 60.65 58.46 3c3t h LYS 110 Cb 0.09 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 3c3t h LYS 110 CO -0.03 0.68 0.08 1.25 -1.08 0.00 0.00 179.45 180.35 3c3t h LEU 111 N 0.14 0.99 -0.08 2.94 5.85 -0.76 -1.01 115.31 123.38 3c3t h LEU 111 Ca 0.05 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 3c3t h LEU 111 Cb 0.53 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 3c3t h LEU 111 CO 0.02 1.01 0.05 0.74 -0.34 0.00 0.00 178.44 179.92 3c3t h THR 112 N 0.94 1.05 -0.89 1.05 2.02 -1.18 -0.71 112.91 115.20 3c3t h THR 112 Ca 0.19 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.26 3c3t h THR 112 Cb 0.45 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 3c3t h THR 112 CO 0.01 0.05 0.57 0.00 0.37 0.00 0.00 175.52 176.53 3c3t h ALA 113 N 0.99 1.18 -0.51 6.16 0.00 -1.10 -0.01 119.26 125.97 3c3t h ALA 113 Ca 0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3c3t h ALA 113 Cb 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3c3t h ALA 113 CO -0.01 0.41 -0.05 0.00 0.00 0.00 0.00 179.25 179.61 3c3t h ALA 114 N 1.37 0.95 -0.12 0.00 0.00 -0.85 -2.06 119.26 118.56 3c3t h ALA 114 Ca 0.36 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3c3t h ALA 114 Cb 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3c3t h ALA 114 CO -0.13 0.62 -0.44 0.77 0.00 0.00 0.00 179.25 180.08 3c3t h SER 115 N 0.82 0.59 0.40 0.00 0.02 -0.49 -3.24 113.55 111.65 3c3t h SER 115 Ca 0.14 -0.62 -0.10 0.00 -0.84 0.00 0.00 61.79 60.37 3c3t h SER 115 Cb 0.56 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 3c3t h SER 115 CO 0.03 1.11 -0.46 0.58 -1.14 0.00 0.00 176.83 176.95 3c3t h VAL 116 N 0.11 1.33 0.00 2.27 2.07 -1.03 -3.08 116.25 117.92 3c3t h VAL 116 Ca -0.02 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.89 3c3t h VAL 116 Cb 1.08 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 3c3t h VAL 116 CO 0.09 0.47 0.00 0.61 0.02 0.00 0.00 177.57 178.76 3c3t n GLY 117 N -0.16 -1.23 3.68 2.17 0.00 -0.78 -4.82 105.19 104.06 3c3t n GLY 117 Ca -0.02 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 3c3t n GLY 117 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3c3t n VAL 118 N -1.56 0.48 -2.85 1.61 0.31 -1.17 -4.92 118.33 110.22 3c3t n VAL 118 Ca 0.05 -0.09 -0.42 0.00 -0.01 0.00 0.00 64.34 63.87 3c3t n VAL 118 Cb 0.25 -2.10 -0.04 0.00 -0.91 0.00 0.00 33.84 31.04 3c3t n VAL 118 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3c3t s GLN 119 N 3.24 3.98 2.26 5.55 -0.21 -1.26 -4.83 119.66 128.39 3c3t s GLN 119 Ca 0.85 0.72 0.00 0.00 0.02 0.00 0.00 55.36 56.95 3c3t s GLN 119 Cb -0.52 -3.74 0.00 0.00 1.00 0.00 0.00 33.01 29.76 3c3t s GLN 119 CO 0.41 -0.76 0.00 0.41 -2.12 0.00 0.00 175.29 173.23 3c3t n GLY 120 N 4.12 -0.43 3.82 3.09 0.00 -1.26 -4.88 105.19 109.65 3c3t n GLY 120 Ca 0.06 -1.29 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 3c3t n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3c3t s SER 121 N -4.00 6.98 0.00 1.61 0.01 -1.26 -4.89 113.70 112.15 3c3t s SER 121 Ca 0.00 1.39 0.00 0.00 1.31 0.00 0.00 55.95 58.65 3c3t s SER 121 Cb 0.00 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.82 3c3t s SER 121 CO 0.00 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.23 3c3t n GLY 122 N 0.43 -0.98 2.94 3.44 0.00 -1.26 -0.81 105.19 108.95 3c3t n GLY 122 Ca -0.01 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 3c3t n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3c3t s TRP 123 N -3.00 0.19 -0.12 1.61 0.52 0.21 -1.29 118.94 117.05 3c3t s TRP 123 Ca 0.00 -0.30 -0.03 0.00 0.02 0.00 0.00 56.10 55.79 3c3t s TRP 123 Cb 0.00 -0.13 -0.03 0.00 -1.15 0.00 0.00 33.47 32.16 3c3t s TRP 123 CO 0.00 -0.10 -0.00 0.20 0.02 0.00 0.00 176.95 177.07 3c3t s GLY 124 N -0.82 1.82 -0.05 0.98 0.00 -0.54 -0.56 107.32 108.15 3c3t s GLY 124 Ca -0.09 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 43.86 3c3t s GLY 124 CO -0.00 -0.34 -0.12 -0.98 0.00 0.00 0.00 173.10 171.66 3c3t s TRP 125 N -0.36 1.30 -0.26 1.90 0.52 0.17 -0.46 118.94 121.74 3c3t s TRP 125 Ca 0.07 -0.41 -0.20 0.00 0.02 0.00 0.00 56.10 55.58 3c3t s TRP 125 Cb -0.12 -0.93 -0.02 0.00 -1.15 0.00 0.00 33.47 31.25 3c3t s TRP 125 CO 0.02 -0.19 0.62 -1.17 0.02 0.00 0.00 176.95 176.25 3c3t s LEU 126 N 0.40 4.08 0.32 2.99 2.96 -0.38 -0.90 118.68 128.15 3c3t s LEU 126 Ca -0.08 0.64 0.05 0.00 -0.22 0.00 0.00 54.13 54.52 3c3t s LEU 126 Cb -0.13 -2.84 -0.06 0.00 0.50 0.00 0.00 46.19 43.67 3c3t s LEU 126 CO 0.02 -0.39 0.01 -0.83 -1.32 0.00 0.00 176.35 173.85 3c3t s GLY 127 N 1.51 2.06 -0.15 7.98 0.00 0.16 -1.57 107.32 117.31 3c3t s GLY 127 Ca 0.26 -2.05 0.00 0.00 0.00 0.00 0.00 44.72 42.93 3c3t s GLY 127 CO 0.09 -1.86 -0.15 -0.12 0.00 0.00 0.00 173.10 171.06 3c3t s PHE 128 N -3.13 2.79 -0.63 1.90 5.36 0.45 -0.27 117.98 124.45 3c3t s PHE 128 Ca 0.34 -0.97 -0.21 0.00 -0.96 0.00 0.00 56.93 55.12 3c3t s PHE 128 Cb 0.07 -1.89 0.08 0.00 -0.34 0.00 0.00 43.02 40.95 3c3t s PHE 128 CO 0.15 -0.43 0.88 1.21 -1.46 0.00 0.00 175.22 175.57 3c3t s ASN 129 N 0.75 6.18 0.43 6.13 3.84 -0.11 -1.39 114.94 130.77 3c3t s ASN 129 Ca -0.06 -1.10 0.12 0.00 0.21 0.00 0.00 52.86 52.03 3c3t s ASN 129 Cb -0.15 -2.38 0.92 0.00 -0.55 0.00 0.00 41.25 39.09 3c3t s ASN 129 CO 0.01 -1.33 1.98 0.50 -2.79 0.00 0.00 177.10 175.47 3c3t h LYS 130 N 9.44 0.13 -0.05 0.43 3.64 -1.87 0.76 116.57 129.05 3c3t h LYS 130 Ca -0.29 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 3c3t h LYS 130 Cb 1.08 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3c3t h LYS 130 CO 1.15 0.26 -0.09 1.49 -2.27 0.00 0.00 179.45 179.99 3c3t h GLU 131 N 0.13 0.15 0.00 1.90 4.81 -1.95 -3.30 114.58 116.32 3c3t h GLU 131 Ca 0.03 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3c3t h GLU 131 Cb 0.29 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3c3t h GLU 131 CO 0.02 0.66 -0.70 0.00 -0.73 0.00 0.00 179.01 178.26 3c3t h ARG 132 N -0.34 0.00 -2.24 1.92 2.47 -1.95 -3.48 114.38 110.76 3c3t h ARG 132 Ca 0.00 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.53 3c3t h ARG 132 Cb 0.65 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.99 3c3t h ARG 132 CO 0.02 0.00 -0.29 0.41 0.56 0.00 0.00 179.97 180.67 3c3t n GLY 133 N 1.30 0.07 3.14 0.04 0.00 0.26 -5.04 105.19 104.97 3c3t n GLY 133 Ca 0.03 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 3c3t n GLY 133 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3c3t s HIS 134 N -2.78 0.42 0.51 1.61 -3.43 -1.13 -4.97 115.29 105.52 3c3t s HIS 134 Ca 0.12 -0.91 -0.20 0.00 -0.80 0.00 0.00 55.06 53.27 3c3t s HIS 134 Cb -0.05 -0.27 -0.07 0.00 -1.43 0.00 0.00 32.58 30.75 3c3t s HIS 134 CO 0.15 -0.46 1.08 -0.51 -2.00 0.00 0.00 174.74 173.00 3c3t s LEU 135 N -2.91 3.81 -0.12 5.38 1.43 -1.26 -0.94 118.68 124.07 3c3t s LEU 135 Ca 0.08 2.05 -0.13 0.00 -1.03 0.00 0.00 54.13 55.09 3c3t s LEU 135 Cb 0.07 -4.56 0.03 0.00 0.03 0.00 0.00 46.19 41.76 3c3t s LEU 135 CO -0.09 -0.97 0.37 -1.58 0.23 0.00 0.00 176.35 174.30 3c3t s GLN 136 N -3.23 0.48 -0.13 1.70 0.74 0.63 -4.86 119.66 114.98 3c3t s GLN 136 Ca 0.70 0.41 -0.07 0.00 0.05 0.00 0.00 55.36 56.44 3c3t s GLN 136 Cb -0.20 0.23 -0.04 0.00 1.10 0.00 0.00 33.01 34.10 3c3t s GLN 136 CO 0.23 -0.07 0.12 0.42 -0.55 0.00 0.00 175.29 175.44 3c3t s ILE 137 N -0.05 5.36 -0.01 -2.34 1.01 -1.26 0.41 121.20 124.32 3c3t s ILE 137 Ca -0.02 0.16 -0.14 0.00 0.00 0.00 0.00 60.65 60.64 3c3t s ILE 137 Cb -0.03 -3.35 0.02 0.00 0.01 0.00 0.00 42.46 39.11 3c3t s ILE 137 CO 0.01 0.58 0.30 0.00 0.00 0.00 0.00 174.94 175.84 3c3t s ALA 138 N -0.74 -0.75 -0.03 9.38 0.00 -0.08 -4.98 121.76 124.56 3c3t s ALA 138 Ca 0.13 0.27 0.06 0.00 0.00 0.00 0.00 51.96 52.42 3c3t s ALA 138 Cb -0.12 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 3c3t s ALA 138 CO 0.03 -0.27 -0.20 0.00 0.00 0.00 0.00 175.76 175.32 3c3t s ALA 139 N -1.43 2.44 -0.02 0.00 0.00 -1.26 0.42 121.76 121.90 3c3t s ALA 139 Ca -0.13 -1.06 0.06 0.00 0.00 0.00 0.00 51.96 50.83 3c3t s ALA 139 Cb -0.05 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 3c3t s ALA 139 CO 0.04 0.55 -0.21 0.00 0.00 0.00 0.00 175.76 176.13 3c3t s PRO 141 N -0.45 4.20 1.65 0.00 0.04 -1.26 -0.62 135.00 138.55 3c3t s PRO 141 Ca 0.07 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.21 3c3t s PRO 141 Cb -0.09 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.28 3c3t s PRO 141 CO -0.00 -0.06 0.00 0.09 0.04 0.00 0.00 177.00 177.07 3c3t n ASN 142 N -0.75 0.00 -1.17 6.66 3.02 0.01 -1.77 115.26 121.26 3c3t n ASN 142 Ca 0.07 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.71 3c3t n ASN 142 Cb 0.54 0.00 0.28 0.00 -0.61 0.00 0.00 39.78 39.99 3c3t n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3c3t n GLN 143 N 14.00 3.17 -1.64 3.52 1.13 -1.26 -4.26 117.38 132.03 3c3t n GLN 143 Ca 0.00 -2.59 -0.50 0.00 -1.94 0.00 0.00 57.00 51.97 3c3t n GLN 143 Cb 0.00 -1.63 -0.05 0.00 0.11 0.00 0.00 30.24 28.67 3c3t n GLN 143 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3c3t n ASP 144 N 0.86 3.04 -4.77 1.08 10.43 -0.73 -3.90 116.55 122.57 3c3t n ASP 144 Ca 0.21 0.82 -0.38 0.00 2.57 0.00 0.00 54.79 58.01 3c3t n ASP 144 Cb 0.69 -1.33 -0.02 0.00 1.84 0.00 0.00 41.12 42.30 3c3t n ASP 144 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 3c3t s PRO 145 N 4.61 4.03 0.07 -0.24 0.04 -1.26 -4.73 135.00 137.52 3c3t s PRO 145 Ca 0.97 1.78 -0.32 0.00 0.04 0.00 0.00 61.00 63.48 3c3t s PRO 145 Cb -0.75 -2.62 -0.16 0.00 0.04 0.00 0.00 34.50 31.01 3c3t s PRO 145 CO 0.52 -0.32 1.48 1.25 0.04 0.00 0.00 177.00 179.97 3c3t h LEU 146 N 2.55 -1.15 -0.54 -3.56 5.85 -1.90 -2.66 115.31 113.89 3c3t h LEU 146 Ca -0.49 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 3c3t h LEU 146 Cb 1.23 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 42.60 3c3t h LEU 146 CO 0.62 -0.62 0.21 -0.61 -0.34 0.00 0.00 178.44 177.70 3c3t h GLN 147 N -0.97 0.81 0.00 1.25 4.15 -1.87 0.37 115.11 118.86 3c3t h GLN 147 Ca -0.07 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.17 3c3t h GLN 147 Cb 0.80 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.36 3c3t h GLN 147 CO 0.02 0.71 -0.12 0.78 -1.93 0.00 0.00 178.83 178.30 3c3t h GLY 148 N 0.74 0.00 0.00 2.39 0.00 -1.87 -1.06 103.07 103.27 3c3t h GLY 148 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3c3t h GLY 148 CO -0.01 0.00 -1.45 -1.30 0.00 0.00 0.00 176.54 173.77 3c3t n THR 149 N -4.17 0.00 0.00 4.70 -2.24 -1.00 -4.74 114.28 106.83 3c3t n THR 149 Ca -0.02 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3c3t n THR 149 Cb 0.20 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 3c3t n THR 149 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3c3t n THR 150 N -1.85 0.00 0.00 4.28 -2.24 0.11 -5.01 114.28 109.56 3c3t n THR 150 Ca -0.02 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3c3t n THR 150 Cb 0.30 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 3c3t n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3c3t n GLY 151 N 1.68 2.21 3.78 3.38 0.00 -0.40 -5.00 105.19 110.84 3c3t n GLY 151 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3c3t n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3c3t s LEU 152 N 0.00 3.99 -0.19 0.99 1.43 -1.26 -4.79 118.68 118.85 3c3t s LEU 152 Ca 0.00 2.09 -0.21 0.00 -1.03 0.00 0.00 54.13 54.97 3c3t s LEU 152 Cb 0.00 -4.34 -0.02 0.00 0.03 0.00 0.00 46.19 41.86 3c3t s LEU 152 CO 0.00 -0.74 0.65 -0.63 0.23 0.00 0.00 176.35 175.86 3c3t s ILE 153 N -1.73 5.01 0.22 -0.59 -1.09 -0.48 -2.93 121.20 119.61 3c3t s ILE 153 Ca 0.63 1.24 -0.30 0.00 -2.23 0.00 0.00 60.65 59.99 3c3t s ILE 153 Cb -0.22 -3.97 -0.09 0.00 -1.58 0.00 0.00 42.46 36.60 3c3t s ILE 153 CO 0.27 0.11 1.22 -2.16 -1.23 0.00 0.00 174.94 173.16 3c3t s PRO 154 N 1.87 4.47 -0.01 2.79 0.04 -1.26 -0.41 135.00 142.49 3c3t s PRO 154 Ca 0.30 1.95 -0.00 0.00 0.04 0.00 0.00 61.00 63.29 3c3t s PRO 154 Cb -0.16 -3.20 -0.00 0.00 0.04 0.00 0.00 34.50 31.18 3c3t s PRO 154 CO 0.11 -0.09 -0.00 1.28 0.04 0.00 0.00 177.00 178.33 3c3t n LEU 155 N 2.12 2.30 -3.73 -3.56 4.77 -0.61 -4.92 117.00 113.38 3c3t n LEU 155 Ca 0.03 -0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.89 3c3t n LEU 155 Cb 0.44 -0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.38 3c3t n LEU 155 CO 0.56 0.39 -0.14 -0.22 -1.33 0.00 0.00 177.39 176.66 3c3t s LEU 156 N -5.26 0.43 -0.01 2.23 2.96 -1.02 -4.55 118.68 113.46 3c3t s LEU 156 Ca -0.01 0.49 0.07 0.00 -0.22 0.00 0.00 54.13 54.47 3c3t s LEU 156 Cb 0.00 0.68 -0.02 0.00 0.50 0.00 0.00 46.19 47.35 3c3t s LEU 156 CO 0.01 -0.17 -0.23 -0.83 -1.32 0.00 0.00 176.35 173.82 3c3t s GLY 157 N 1.29 1.12 -0.28 7.98 0.00 -1.26 -1.24 107.32 114.92 3c3t s GLY 157 Ca -0.09 -0.99 0.01 0.00 0.00 0.00 0.00 44.72 43.65 3c3t s GLY 157 CO -0.08 -0.83 -0.07 -0.42 0.00 0.00 0.00 173.10 171.70 3c3t s ILE 158 N -0.55 2.48 -0.26 0.90 -1.09 0.39 -4.89 121.20 118.17 3c3t s ILE 158 Ca 0.09 -1.54 -0.29 0.00 -2.23 0.00 0.00 60.65 56.67 3c3t s ILE 158 Cb -0.09 -2.45 -0.00 0.00 -1.58 0.00 0.00 42.46 38.34 3c3t s ILE 158 CO -0.01 -0.06 1.30 -0.62 -1.23 0.00 0.00 174.94 174.32 3c3t s ASP 159 N 1.16 6.73 -0.21 3.58 3.68 -1.26 -1.46 116.67 128.88 3c3t s ASP 159 Ca -0.08 1.34 0.15 0.00 2.13 0.00 0.00 52.55 56.09 3c3t s ASP 159 Cb -0.20 -2.54 0.56 0.00 -1.45 0.00 0.00 42.92 39.29 3c3t s ASP 159 CO -0.04 -1.01 1.48 1.33 0.13 0.00 0.00 175.17 177.07 3c3t n VAL 160 N 6.01 2.41 -2.30 1.11 0.24 -0.41 -4.84 118.33 120.55 3c3t n VAL 160 Ca 0.15 -1.97 -0.36 0.00 -2.04 0.00 0.00 64.34 60.12 3c3t n VAL 160 Cb 0.46 -0.28 -0.01 0.00 -1.47 0.00 0.00 33.84 32.55 3c3t n VAL 160 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3c3t s TRP 161 N -2.91 2.79 0.47 6.34 0.52 -1.24 -4.46 118.94 120.45 3c3t s TRP 161 Ca 0.44 1.55 0.16 0.00 0.02 0.00 0.00 56.10 58.28 3c3t s TRP 161 Cb 0.36 -3.28 1.14 0.00 -1.15 0.00 0.00 33.47 30.54 3c3t s TRP 161 CO 0.08 -1.43 2.01 -0.44 0.02 0.00 0.00 176.95 177.19 3c3t h ASP 162 N 1.53 0.24 0.06 2.95 5.19 -1.93 -1.53 116.42 122.93 3c3t h ASP 162 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 3c3t h ASP 162 Cb 1.25 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.72 3c3t h ASP 162 CO 0.58 0.15 0.00 0.00 -3.12 0.00 0.00 179.24 176.85 3c3t n HIS 163 N -4.46 0.00 0.82 4.55 1.44 -1.26 -0.55 115.22 115.77 3c3t n HIS 163 Ca 0.08 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.89 3c3t n HIS 163 Cb 0.37 -0.08 -0.13 0.00 0.12 0.00 0.00 29.99 30.27 3c3t n HIS 163 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3c3t n ALA 164 N -1.08 4.43 0.00 1.59 0.00 -0.57 -4.68 120.51 120.19 3c3t n ALA 164 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3c3t n ALA 164 Cb 0.05 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3c3t n ALA 164 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3c3t n TYR 165 N -1.63 0.00 -0.28 0.00 4.11 -0.77 -5.00 117.16 113.60 3c3t n TYR 165 Ca 0.03 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 58.02 3c3t n TYR 165 Cb 0.37 0.00 0.23 0.00 -0.00 0.00 0.00 39.34 39.95 3c3t n TYR 165 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 3c3t h TYR 166 N 0.00 0.34 -0.61 -3.48 3.20 -1.02 0.25 116.97 115.65 3c3t h TYR 166 Ca 0.00 0.05 0.08 0.00 3.14 0.00 0.00 58.73 62.00 3c3t h TYR 166 Cb 0.00 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.21 3c3t h TYR 166 CO 0.00 -0.13 0.41 -0.07 -1.64 0.00 0.00 178.16 176.73 3c3t h LEU 167 N 0.27 0.44 0.02 2.82 3.38 -1.89 0.20 115.31 120.55 3c3t h LEU 167 Ca 0.48 0.01 -0.37 0.00 0.09 0.00 0.00 57.88 58.09 3c3t h LEU 167 Cb 0.89 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 3c3t h LEU 167 CO -0.57 0.27 -2.09 1.67 0.09 0.00 0.00 178.44 177.81 3c3t n GLN 168 N -4.48 0.63 -0.08 1.13 7.27 -0.09 -4.62 117.38 117.14 3c3t n GLN 168 Ca 0.10 0.32 0.08 0.00 0.07 0.00 0.00 57.00 57.57 3c3t n GLN 168 Cb 0.32 -1.61 0.12 0.00 2.41 0.00 0.00 30.24 31.48 3c3t n GLN 168 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3c3t n TYR 169 N -3.94 0.22 -1.77 3.69 4.02 0.70 -5.06 117.16 115.02 3c3t n TYR 169 Ca -0.43 -0.16 0.00 0.00 -0.01 0.00 0.00 57.90 57.31 3c3t n TYR 169 Cb 0.89 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.20 3c3t n TYR 169 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3c3t n LYS 170 N 0.98 0.00 0.00 -0.72 4.76 0.70 -1.57 118.16 122.30 3c3t n LYS 170 Ca 0.12 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.69 3c3t n LYS 170 Cb 0.45 0.00 0.62 0.00 -1.84 0.00 0.00 35.03 34.26 3c3t n LYS 170 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3c3t n ASN 171 N 1.74 0.00 -3.98 4.39 6.94 -1.26 -4.38 115.26 118.71 3c3t n ASN 171 Ca 0.00 0.05 -0.43 0.00 -0.02 0.00 0.00 54.58 54.18 3c3t n ASN 171 Cb 0.00 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.09 3c3t n ASN 171 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 3c3t n VAL 172 N -1.33 3.90 -0.32 3.53 0.31 -0.61 -4.78 118.33 119.03 3c3t n VAL 172 Ca 0.11 -3.81 0.15 0.00 -0.01 0.00 0.00 64.34 60.78 3c3t n VAL 172 Cb 0.22 -2.47 0.39 0.00 -0.91 0.00 0.00 33.84 31.07 3c3t n VAL 172 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3c3t h ARG 173 N 6.27 0.62 -0.67 5.55 2.43 -1.83 -0.92 114.38 125.83 3c3t h ARG 173 Ca 0.47 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.64 3c3t h ARG 173 Cb 0.69 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 3c3t h ARG 173 CO 1.67 0.41 0.44 -1.35 -1.51 0.00 0.00 179.97 179.64 3c3t h PRO 174 N 0.64 0.76 -0.53 0.20 0.11 -1.97 -1.38 132.00 129.83 3c3t h PRO 174 Ca 0.54 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.51 3c3t h PRO 174 Cb 1.01 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 3c3t h PRO 174 CO -0.31 0.50 -0.04 -0.44 -0.21 0.00 0.00 178.00 177.51 3c3t h ASP 175 N 0.78 0.92 -0.02 -2.05 3.32 -1.55 -1.79 116.42 116.03 3c3t h ASP 175 Ca 0.27 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3c3t h ASP 175 Cb 0.10 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 3c3t h ASP 175 CO -0.08 1.00 0.01 0.22 -1.72 0.00 0.00 179.24 178.67 3c3t h TYR 176 N 0.86 0.03 -0.83 4.55 -0.00 -1.23 -2.19 116.97 118.15 3c3t h TYR 176 Ca 0.15 -0.00 0.04 0.00 -0.00 0.00 0.00 58.73 58.92 3c3t h TYR 176 Cb 0.56 -0.01 -0.05 0.00 -0.00 0.00 0.00 36.73 37.23 3c3t h TYR 176 CO 0.03 0.08 0.53 -0.07 -0.00 0.00 0.00 178.16 178.74 3c3t h LEU 177 N -0.04 0.87 -0.79 2.82 -0.00 -1.13 -1.55 115.31 115.48 3c3t h LEU 177 Ca 0.01 -0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.91 3c3t h LEU 177 Cb 0.07 -0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 40.50 3c3t h LEU 177 CO -0.00 0.59 0.52 0.50 -0.00 0.00 0.00 178.44 180.04 3c3t h LYS 178 N 1.02 1.00 -0.24 1.13 3.64 -1.14 -3.08 116.57 118.89 3c3t h LYS 178 Ca 0.34 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.49 3c3t h LYS 178 Cb 0.04 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3c3t h LYS 178 CO -0.13 0.66 -0.51 0.00 -2.27 0.00 0.00 179.45 177.20 3c3t h ALA 179 N 1.31 0.39 0.00 5.00 0.00 -0.82 -3.30 119.26 121.84 3c3t h ALA 179 Ca 0.30 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3c3t h ALA 179 Cb -0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3c3t h ALA 179 CO -0.09 0.58 -0.01 0.97 0.00 0.00 0.00 179.25 180.71 3c3t h ILE 180 N 0.52 0.23 0.00 0.00 2.10 -1.21 -1.69 117.51 117.46 3c3t h ILE 180 Ca 0.01 -0.04 -0.00 0.00 1.08 0.00 0.00 64.86 65.91 3c3t h ILE 180 Cb 1.12 1.03 -0.00 0.00 -1.09 0.00 0.00 36.82 37.88 3c3t h ILE 180 CO 0.11 0.01 -0.01 -0.50 -1.08 0.00 0.00 178.15 176.68 3c3t h TRP 181 N 0.00 0.00 0.00 2.19 4.06 -1.63 -1.92 115.95 118.65 3c3t h TRP 181 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3c3t h TRP 181 Cb 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 3c3t h TRP 181 CO 0.00 0.01 0.00 0.09 -3.56 0.00 0.00 178.44 174.98 3c3t n ASN 182 N -3.16 0.39 -0.17 -3.49 3.02 -0.63 -3.69 115.26 107.53 3c3t n ASN 182 Ca -0.02 0.55 0.06 0.00 -0.03 0.00 0.00 54.58 55.14 3c3t n ASN 182 Cb 0.18 -0.65 0.08 0.00 -0.61 0.00 0.00 39.78 38.78 3c3t n ASN 182 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3c3t n VAL 183 N -1.88 1.24 -2.42 2.41 0.24 -0.73 -3.09 118.33 114.10 3c3t n VAL 183 Ca 0.05 -1.47 -0.42 0.00 -2.04 0.00 0.00 64.34 60.47 3c3t n VAL 183 Cb 0.34 0.08 -0.03 0.00 -1.47 0.00 0.00 33.84 32.75 3c3t n VAL 183 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3c3t s ILE 184 N -1.83 3.87 -1.07 1.34 -1.09 -1.18 -0.54 121.20 120.70 3c3t s ILE 184 Ca 0.19 1.44 -0.15 0.00 -2.23 0.00 0.00 60.65 59.90 3c3t s ILE 184 Cb 0.17 -3.92 0.17 0.00 -1.58 0.00 0.00 42.46 37.30 3c3t s ILE 184 CO 0.02 0.16 1.24 0.21 -1.23 0.00 0.00 174.94 175.34 3c3t s ASN 185 N 0.64 6.93 0.61 3.58 3.84 0.12 -0.24 114.94 130.42 3c3t s ASN 185 Ca 0.56 -2.73 0.33 0.00 0.21 0.00 0.00 52.86 51.23 3c3t s ASN 185 Cb -0.30 -2.36 1.98 0.00 -0.55 0.00 0.00 41.25 40.02 3c3t s ASN 185 CO 0.32 -0.78 2.29 -0.50 -2.79 0.00 0.00 177.10 175.64 3c3t h TRP 186 N 7.70 0.00 -0.57 0.43 4.06 -1.87 -0.72 115.95 124.98 3c3t h TRP 186 Ca 0.23 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 61.08 3c3t h TRP 186 Cb 0.94 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.08 3c3t h TRP 186 CO 1.08 0.00 -0.03 1.49 -3.56 0.00 0.00 178.44 177.42 3c3t h GLU 187 N 0.00 1.02 -0.11 0.49 4.81 -1.97 0.78 114.58 119.60 3c3t h GLU 187 Ca 0.00 -0.33 -0.22 0.00 -0.13 0.00 0.00 59.36 58.68 3c3t h GLU 187 Cb 0.00 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.30 3c3t h GLU 187 CO -0.00 1.02 -0.80 -0.97 -0.73 0.00 0.00 179.01 177.53 3c3t h ASN 188 N 0.93 0.79 -0.56 1.04 -0.73 -1.44 -2.17 115.58 113.44 3c3t h ASN 188 Ca 0.16 -0.54 -0.03 0.00 1.87 0.00 0.00 56.30 57.76 3c3t h ASN 188 Cb 0.58 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.91 3c3t h ASN 188 CO 0.03 1.32 0.23 0.58 -0.37 0.00 0.00 177.43 179.23 3c3t h VAL 189 N 0.44 1.22 -0.81 2.57 2.07 -1.17 -1.55 116.25 119.01 3c3t h VAL 189 Ca -0.06 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.79 3c3t h VAL 189 Cb 1.42 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 3c3t h VAL 189 CO 0.16 0.26 0.52 0.74 0.02 0.00 0.00 177.57 179.26 3c3t h THR 190 N 0.77 1.22 -0.32 2.57 2.02 -0.83 -0.80 112.91 117.54 3c3t h THR 190 Ca 0.19 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 66.95 3c3t h THR 190 Cb 0.19 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 3c3t h THR 190 CO -0.02 0.22 0.18 -0.33 0.37 0.00 0.00 175.52 175.94 3c3t h GLU 191 N 1.11 0.36 -0.51 6.66 5.08 -0.93 0.24 114.58 126.59 3c3t h GLU 191 Ca 0.29 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.57 3c3t h GLU 191 Cb -0.09 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3c3t h GLU 191 CO -0.06 0.24 0.07 0.00 -1.00 0.00 0.00 179.01 178.26 3c3t h ARG 192 N 0.37 0.80 -0.07 2.33 3.08 -0.92 -2.59 114.38 117.39 3c3t h ARG 192 Ca 0.13 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3c3t h ARG 192 Cb 0.01 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 3c3t h ARG 192 CO -0.06 0.76 -0.00 -0.92 -1.07 0.00 0.00 179.97 178.67 3c3t h TYR 193 N 0.76 0.14 -0.04 3.04 5.03 -0.61 -2.95 116.97 122.35 3c3t h TYR 193 Ca 0.16 -0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.46 3c3t h TYR 193 Cb 0.36 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.60 3c3t h TYR 193 CO 0.02 0.41 0.04 0.52 -1.32 0.00 0.00 178.16 177.83 3c3t h MET 194 N -0.18 0.00 0.00 1.82 2.86 -0.84 -0.76 114.93 117.83 3c3t h MET 194 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3c3t h MET 194 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 3c3t h MET 194 CO 0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 3c3t n ALA 195 N -2.32 2.05 1.42 6.32 0.00 -0.99 -5.10 120.51 121.89 3c3t n ALA 195 Ca -0.02 -0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.47 3c3t n ALA 195 Cb 0.13 -1.34 0.46 0.00 0.00 0.00 0.00 19.45 18.69 3c3t n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50